A0A077ZF84_TRITR Loading...

Checkpoint protein

AlphaFold DB , UniProt , Accession A0A077ZF84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 287 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
1M90Very high93.6Very high94 Ų9458.3 Ų58.346%0.46331%0.309SS..  0102.40-66-164-64.300111.9D70 G71 W72 I79 V137M1-D70 CarbonylContact C-O 3.53Å; M1-D70 WeakPolarHBondContact CA-O 3.07Å; M1-D70 PolarHBondContact N-O 2.85Å; M1-G71 WeakPolarHBondContact CA-O 3.45Å; M1-G71 VanDerWaalsContact CG-O 3.26Å; M1-G71 WeakPolarHBondContact CG-O 3.32Å; M1-G71 PolarHBondContact N-O 2.82Å; M1-W72 HydrophobicContact CE-CE3 3.54Å; M1-W72 HydrophobicContact CE-CH2 4.4Å; M1-W72 HydrophobicContact CE-CZ3 3.37Å; M1-W72 HydrophobicContact CG-CE3 4.23Å; M1-W72 HydrophobicContact SD-CD2 4.43Å; M1-W72 HydrophobicContact SD-CE3 3.4Å; M1-W72 HydrophobicContact SD-CZ3 3.86Å; M1-I79 HydrophobicContact CG-CG1 4.48Å; M1-V137 HydrophobicContact CE-CG1 3.73Å; M1-V137 HydrophobicContact SD-CG1 3.71Å
2K93.9Very high93.4Very high145 Ų14553.7 Ų53.763%0.6329%0.285SS*.EExtended strand (participates in β ladder)trans-135.6143.8168.9-66.2179.7-175.6167.30107.3M69 D70K2-M69 CarbonylContact O-C 3.41Å; K2-M69 VanDerWaalsContact O-CA 3.24Å; K2-M69 WeakPolarHBondContact O-CA 3.38Å; K2-D70 HydrophobicContact CB-CB 4.24Å; K2-D70 PolarHBondContact N-O 2.82Å; K2-D70 PolarHBondContact O-N 2.98Å
3F96.5Very high93.4Very high6 Ų649.8 Ų49.83%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-142.2133.5171.9166.5-112000108.6S5 I34 F39 F67 R68 M69 I79 M103 K104 L105 L113F3-S5 WeakPolarHBondContact CZ-OG 3.38Å; F3-I34 HydrophobicContact CD1-CD1 4.03Å; F3-I34 HydrophobicContact CD2-CD1 4.2Å; F3-I34 HydrophobicContact CD2-CG2 3.88Å; F3-I34 HydrophobicContact CE1-CD1 4.26Å; F3-I34 HydrophobicContact CE2-CD1 4.44Å; F3-I34 HydrophobicContact CE2-CG2 4.08Å; F3-I34 HydrophobicContact CG-CD1 4Å; F3-I34 HydrophobicContact CZ-CD1 4.47Å; F3-F39 HydrophobicContact CE1-CE2 4.28Å; F3-F39 HydrophobicContact CZ-CD2 4.23Å; F3-F39 AromaticContact CZ-CE2 3.99Å; F3-F39 HydrophobicContact CZ-CE2 3.99Å; F3-F67 HydrophobicContact CD2-CZ 4.48Å; F3-F67 HydrophobicContact CE2-CD2 4.02Å; F3-F67 HydrophobicContact CE2-CE1 4.42Å; F3-F67 AromaticContact CE2-CE2 3.53Å; F3-F67 HydrophobicContact CE2-CE2 3.53Å; F3-F67 AromaticContact CE2-CZ 3.78Å; F3-F67 HydrophobicContact CE2-CZ 3.78Å; F3-F67 HydrophobicContact CZ-CE2 4.12Å; F3-R68 WeakPolarHBondContact CA-O 3.47Å; F3-M69 HydrophobicContact CD2-CB 4.25Å; F3-I79 HydrophobicContact CB-CD1 4.05Å; F3-M103 HydrophobicContact CE1-CE 3.72Å; F3-M103 HydrophobicContact CE1-CG 4.05Å; F3-M103 HydrophobicContact CE1-SD 4.48Å; F3-M103 HydrophobicContact CZ-CE 3.61Å; F3-K104 CarbonylContact O-C 3.52Å; F3-K104 VanDerWaalsContact O-CA 3.25Å; F3-K104 WeakPolarHBondContact O-CA 3.28Å; F3-L105 HydrophobicContact CB-CB 3.84Å; F3-L105 HydrophobicContact CD1-CB 4.36Å; F3-L105 PolarHBondContact O-N 3.48Å; F3-L113 HydrophobicContact CD1-CD1 4.15Å; F3-L113 HydrophobicContact CE1-CD1 4.01Å
4S96.7Very high93.1Very high41 Ų4150.6 Ų50.629%0.28727%0.269SS..EExtended strand (participates in β ladder)trans-150.3129.5175.6178.80000109.8R68 M103S4-R68 PolarHBondContact N-O 3.05Å; S4-R68 PolarHBondContact O-N 2.88Å; S4-M103 CarbonylContact C-O 3.6Å; S4-M103 WeakPolarHBondContact CA-O 3.43Å
5S96.7Very high93Very high1 Ų152.6 Ų52.61%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-134.5156.8172.859.50000111F3 E66 K102 M103F3-S5 WeakPolarHBondContact CZ-OG 3.38Å; S5-E66 CarbonylContact C-O 3.59Å; S5-E66 WeakPolarHBondContact CA-O 3.37Å; S5-E66 WeakPolarHBondContact CB-O 3.36Å; S5-K102 CarbonylContact O-C 3.51Å; S5-K102 WeakPolarHBondContact O-CA 3.34Å; S5-M103 PolarHBondContact N-O 2.86Å; S5-M103 PolarHBondContact O-N 2.98Å; S5-M103 WeakPolarHBondContact OG-CE 3.24Å; S5-M103 PolarHBondContact OG-O 2.88Å
6K96.1Very high93Very high65 Ų6549.5 Ų49.528%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-129.6127.1176.3-177.1-172.6173.9-164.90108.4F64 S65 E66 K102K6-F64 CarbonylContact O-C 3.56Å; K6-F64 WeakPolarHBondContact O-CA 3.4Å; K6-F64 WeakPolarHBondContact O-CB 3.4Å; K6-S65 PolarHBondContact O-N 3.24Å; K6-S65 PolarHBondContact O-OG 3.15Å; K6-E66 HydrophobicContact CB-CB 4.02Å; K6-E66 HydrophobicContact CB-CG 4.41Å; K6-E66 HydrophobicContact CD-CG 4.46Å; K6-E66 VanDerWaalsContact CD-OE1 3.32Å; K6-E66 WeakPolarHBondContact CD-OE1 3.31Å; K6-E66 PolarHBondContact N-O 3.11Å; K6-E66 IonicContact NZ-OE1 3.44Å; K6-K102 HydrophobicContact CB-CG 4.3Å; K6-K102 HydrophobicContact CG-CG 4.13Å
7F95.3Very high93Very high5 Ų546.9 Ų46.92%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-67.4143.7176.4-73-91.4000111V13 F16 F63 F64 V101 M103 F115F7-V13 HydrophobicContact CB-CG2 3.62Å; F7-V13 HydrophobicContact CD1-CG2 3.86Å; F7-V13 HydrophobicContact CD2-CG2 4.18Å; F7-V13 HydrophobicContact CG-CG2 3.62Å; F7-F16 HydrophobicContact CE1-CB 3.64Å; F7-F16 AromaticContact CE1-CD1 3.72Å; F7-F16 HydrophobicContact CE1-CD1 3.72Å; F7-F16 HydrophobicContact CE1-CD2 4.37Å; F7-F16 HydrophobicContact CE1-CE1 4.46Å; F7-F16 AromaticContact CE1-CG 3.66Å; F7-F16 HydrophobicContact CE1-CG 3.66Å; F7-F16 HydrophobicContact CZ-CB 4.33Å; F7-F16 AromaticContact CZ-CD1 3.53Å; F7-F16 HydrophobicContact CZ-CD1 3.53Å; F7-F16 AromaticContact CZ-CE1 3.94Å; F7-F16 HydrophobicContact CZ-CE1 3.94Å; F7-F16 AromaticContact CZ-CG 3.97Å; F7-F16 HydrophobicContact CZ-CG 3.97Å; F7-F63 WeakPolarHBondContact CA-O 3.43Å; F7-F64 HydrophobicContact CD1-CD1 4.12Å; F7-F64 AromaticContact CD1-CE1 3.91Å; F7-F64 HydrophobicContact CD1-CE1 3.91Å; F7-F64 HydrophobicContact CD2-CD1 4.44Å; F7-F64 HydrophobicContact CD2-CE1 4.19Å; F7-F64 HydrophobicContact CE1-CD1 4.22Å; F7-F64 AromaticContact CE1-CE1 3.55Å; F7-F64 HydrophobicContact CE1-CE1 3.55Å; F7-F64 HydrophobicContact CE1-CZ 4.26Å; F7-F64 AromaticContact CE2-CE1 3.88Å; F7-F64 HydrophobicContact CE2-CE1 3.88Å; F7-F64 HydrophobicContact CG-CD1 4.24Å; F7-F64 HydrophobicContact CG-CE1 4.23Å; F7-F64 HydrophobicContact CZ-CD1 4.46Å; F7-F64 AromaticContact CZ-CE1 3.55Å; F7-F64 HydrophobicContact CZ-CE1 3.55Å; F7-F64 HydrophobicContact CZ-CZ 4.27Å; F7-V101 HydrophobicContact CB-CB 4.42Å; F7-V101 HydrophobicContact CD2-CB 3.73Å; F7-V101 HydrophobicContact CD2-CG1 3.65Å; F7-V101 HydrophobicContact CE2-CB 4.43Å; F7-V101 HydrophobicContact CE2-CG1 3.85Å; F7-V101 HydrophobicContact CG-CB 4.37Å; F7-V101 PolarHBondContact N-O 3.13Å; F7-M103 HydrophobicContact CE2-CB 4.19Å; F7-F115 HydrophobicContact CE2-CE1 4.37Å
8C93.2Very high92.8Very high56 Ų5651.9 Ų51.938%0.37826%0.261SS..SBendtrans-58.9-50.5179.5-63.90000112.7S12 F63 S65C8-S12 PolarHBondContact N-OG 3.04Å; C8-S12 VanDerWaalsContact N-OG 3.15Å; C8-F63 PolarHBondContact N-O 2.77Å; C8-S65 PolarHBondContact SG-N 2.91Å
9N91Very high92.9Very high85 Ų8549.2 Ų49.246%0.45525%0.247SC..SBendtrans-162.2-177.9-174.45629.1000110.2D11 S12 V13N9-D11 VanDerWaalsContact C-N 3.29Å; N9-D11 PolarHBondContact O-N 3.49Å; N9-D11 WeakPolarHBondContact OD1-CB 3.37Å; N9-D11 PolarHBondContact OD1-N 3.2Å; N9-S12 PolarHBondContact N-OG 2.81Å; N9-S12 PolarHBondContact O-N 3.43Å; N9-S12 PolarHBondContact O-OG 3.14Å; N9-S12 VanDerWaalsContact O-OG 3.11Å; N9-S12 WeakPolarHBondContact OD1-CB 3.39Å; N9-S12 PolarHBondContact OD1-N 3.24Å; N9-V13 WeakPolarHBondContact O-CG2 3.47Å; N9-V13 PolarHBondContact O-N 2.85Å
10A89.4Confident93Very high30 Ų3047 Ų4725%0.24824%0.236CC..Hα-helixtrans-62.2-35.4177.900000112.7S12 V13 D14A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 3.12Å; A10-V13 WeakPolarHBondContact O-CB 3.19Å; A10-V13 PolarHBondContact O-N 3.28Å; A10-D14 PolarHBondContact O-N 2.86Å
11D90.3Very high93Very high113 Ų11346 Ų4660%0.60423%0.233SC*.Hα-helixtrans-64.7-39.4178.6-59.5-29.4000111.6N9 V13 D14 K15N9-D11 VanDerWaalsContact C-N 3.29Å; N9-D11 PolarHBondContact O-N 3.49Å; N9-D11 WeakPolarHBondContact OD1-CB 3.37Å; N9-D11 PolarHBondContact OD1-N 3.2Å; D11-V13 VanDerWaalsContact C-N 3.3Å; D11-V13 PolarHBondContact O-N 3.37Å; D11-D14 PolarHBondContact O-N 3.26Å; D11-K15 WeakPolarHBondContact O-CB 3.28Å; D11-K15 VanDerWaalsContact O-CG 3.31Å; D11-K15 WeakPolarHBondContact O-CG 3.36Å; D11-K15 PolarHBondContact O-N 2.97Å
12S92.1Very high93.2Very high3 Ų341.6 Ų41.62%0.02121%0.212CC..Hα-helixtrans-69.2-31.1178.585.40000112C8 N9 A10 F16 F63C8-S12 PolarHBondContact N-OG 3.04Å; C8-S12 VanDerWaalsContact N-OG 3.15Å; N9-S12 PolarHBondContact N-OG 2.81Å; N9-S12 PolarHBondContact O-N 3.43Å; N9-S12 PolarHBondContact O-OG 3.14Å; N9-S12 VanDerWaalsContact O-OG 3.11Å; N9-S12 WeakPolarHBondContact OD1-CB 3.39Å; N9-S12 PolarHBondContact OD1-N 3.24Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 3.12Å; S12-F16 WeakPolarHBondContact O-CB 3.49Å; S12-F16 PolarHBondContact O-N 2.93Å; S12-F63 WeakPolarHBondContact CB-O 3.1Å; S12-F63 PolarHBondContact OG-O 3.38Å
13V92.7Very high93.3Very high3 Ų334.7 Ų34.72%0.01818%0.182CC..Hα-helixtrans-66.4-45.1169.9178.20000111F7 N9 A10 D11 F16 S17 L92 L95 V101F7-V13 HydrophobicContact CB-CG2 3.62Å; F7-V13 HydrophobicContact CD1-CG2 3.86Å; F7-V13 HydrophobicContact CD2-CG2 4.18Å; F7-V13 HydrophobicContact CG-CG2 3.62Å; N9-V13 WeakPolarHBondContact O-CG2 3.47Å; N9-V13 PolarHBondContact O-N 2.85Å; A10-V13 WeakPolarHBondContact O-CB 3.19Å; A10-V13 PolarHBondContact O-N 3.28Å; D11-V13 VanDerWaalsContact C-N 3.3Å; D11-V13 PolarHBondContact O-N 3.37Å; V13-F16 PolarHBondContact O-N 3.17Å; V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.97Å; V13-L92 HydrophobicContact CG1-CD2 4.41Å; V13-L95 HydrophobicContact CG1-CB 4.01Å; V13-V101 HydrophobicContact CG1-CG2 4.37Å; V13-V101 HydrophobicContact CG2-CB 3.93Å; V13-V101 HydrophobicContact CG2-CG2 3.72Å
14D89.9Confident93.2Very high61 Ų6135.4 Ų35.433%0.32619%0.188SC..Hα-helixtrans-63.5-45.4177.6-176.256.9000111.6A10 D11 F16 S17 R18A10-D14 PolarHBondContact O-N 2.86Å; D11-D14 PolarHBondContact O-N 3.26Å; D14-F16 VanDerWaalsContact C-N 3.32Å; D14-F16 PolarHBondContact O-N 3.39Å; D14-S17 WeakPolarHBondContact O-CB 3.19Å; D14-S17 PolarHBondContact O-N 3.44Å; D14-R18 WeakPolarHBondContact O-CG 3.33Å; D14-R18 PolarHBondContact O-N 3.18Å; D14-R18 IonicContact OD1-NE 3.54Å; D14-R18 IonicContact OD2-CZ 3.09Å; D14-R18 IonicContact OD2-NE 3.64Å; D14-R18 PolarHBondContact OD2-NE 3.35Å; D14-R18 IonicContact OD2-NH2 2.68Å; D14-R18 PolarHBondContact OD2-NH2 3.34Å
15K90.9Very high93.1Very high81 Ų8138.9 Ų38.935%0.35220%0.198SC..Hα-helixtrans-54.8-47.3173-73.2177171.3-150.70111.6D11 R18 L19 F63 D275D11-K15 WeakPolarHBondContact O-CB 3.28Å; D11-K15 VanDerWaalsContact O-CG 3.31Å; D11-K15 WeakPolarHBondContact O-CG 3.36Å; D11-K15 PolarHBondContact O-N 2.97Å; K15-R18 PolarHBondContact O-N 3.15Å; K15-L19 PolarHBondContact O-N 3.39Å; K15-F63 HydrophobicContact CB-CD1 4.35Å; K15-F63 HydrophobicContact CB-CE1 3.72Å; K15-D275 WeakPolarHBondContact CD-OD2 3.47Å; K15-D275 VanDerWaalsContact CE-OD2 3.32Å; K15-D275 WeakPolarHBondContact CE-OD2 3.34Å; K15-D275 VanDerWaalsContact NZ-CG 3.3Å; K15-D275 IonicContact NZ-OD1 3.47Å; K15-D275 PolarHBondContact NZ-OD1 3.48Å; K15-D275 IonicContact NZ-OD2 2.83Å; K15-D275 PolarHBondContact NZ-OD2 3.33Å
16F93Very high93Very high3 Ų338.9 Ų38.91%0.01320%0.197CC..Hα-helixtrans-67.6-39.1180-169-109.3000112.2F7 S12 V13 D14 L19 L20 F58 F63 F64 L92 M103F7-F16 HydrophobicContact CE1-CB 3.64Å; F7-F16 AromaticContact CE1-CD1 3.72Å; F7-F16 HydrophobicContact CE1-CD1 3.72Å; F7-F16 HydrophobicContact CE1-CD2 4.37Å; F7-F16 HydrophobicContact CE1-CE1 4.46Å; F7-F16 AromaticContact CE1-CG 3.66Å; F7-F16 HydrophobicContact CE1-CG 3.66Å; F7-F16 HydrophobicContact CZ-CB 4.33Å; F7-F16 AromaticContact CZ-CD1 3.53Å; F7-F16 HydrophobicContact CZ-CD1 3.53Å; F7-F16 AromaticContact CZ-CE1 3.94Å; F7-F16 HydrophobicContact CZ-CE1 3.94Å; F7-F16 AromaticContact CZ-CG 3.97Å; F7-F16 HydrophobicContact CZ-CG 3.97Å; S12-F16 WeakPolarHBondContact O-CB 3.49Å; S12-F16 PolarHBondContact O-N 2.93Å; V13-F16 PolarHBondContact O-N 3.17Å; D14-F16 VanDerWaalsContact C-N 3.32Å; D14-F16 PolarHBondContact O-N 3.39Å; F16-L19 HydrophobicContact CD2-CD2 4.43Å; F16-L19 WeakPolarHBondContact O-CB 3.16Å; F16-L19 PolarHBondContact O-N 3.15Å; F16-L20 HydrophobicContact CD1-CD1 3.69Å; F16-L20 HydrophobicContact CD1-CG 4.39Å; F16-L20 HydrophobicContact CE1-CD1 3.4Å; F16-L20 VanDerWaalsContact CE1-CD1 3.4Å; F16-L20 HydrophobicContact CE1-CG 4.15Å; F16-L20 HydrophobicContact CZ-CD1 4.05Å; F16-L20 HydrophobicContact CZ-CG 4.37Å; F16-L20 WeakPolarHBondContact O-CG 3.24Å; F16-L20 PolarHBondContact O-N 3.25Å; F16-F58 HydrophobicContact CD2-CZ 4.46Å; F16-F58 HydrophobicContact CE2-CE1 4.09Å; F16-F58 HydrophobicContact CE2-CE2 4.16Å; F16-F58 AromaticContact CE2-CZ 3.65Å; F16-F58 HydrophobicContact CE2-CZ 3.65Å; F16-F63 HydrophobicContact CB-CD1 3.68Å; F16-F63 HydrophobicContact CB-CE1 3.94Å; F16-F63 AromaticContact CD2-CD1 3.95Å; F16-F63 HydrophobicContact CD2-CD1 3.95Å; F16-F63 HydrophobicContact CD2-CE1 4.2Å; F16-F63 HydrophobicContact CD2-CG 4.3Å; F16-F63 HydrophobicContact CG-CD1 4.28Å; F16-F64 HydrophobicContact CE2-CZ 4.43Å; F16-L92 HydrophobicContact CD1-CD1 3.59Å; F16-L92 HydrophobicContact CE1-CD1 4.01Å; F16-M103 HydrophobicContact CE1-SD 4.49Å
17S92.6Very high92.8Very high6 Ų636 Ų364%0.04219%0.186CC..Hα-helixtrans-60.4-45.9173.8-172.50000111V13 D14 L19 L20 S21 F89V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.97Å; D14-S17 WeakPolarHBondContact O-CB 3.19Å; D14-S17 PolarHBondContact O-N 3.44Å; S17-L19 PolarHBondContact O-N 3.48Å; S17-L20 PolarHBondContact O-N 2.72Å; S17-S21 PolarHBondContact O-N 2.92Å; S17-F89 WeakPolarHBondContact O-CD2 3.5Å; S17-F89 VanDerWaalsContact OG-CD2 3.32Å; S17-F89 WeakPolarHBondContact OG-CD2 3.37Å; S17-F89 WeakPolarHBondContact OG-CE2 3.37Å
18R90.9Very high92.7Very high136 Ų13645 Ų4551%0.51323%0.225SC..Hα-helixtrans-62-42.8175.4-68.7178.8-164.2-158.58112.3D14 K15 L20 S21 V22D14-R18 WeakPolarHBondContact O-CG 3.33Å; D14-R18 PolarHBondContact O-N 3.18Å; D14-R18 IonicContact OD1-NE 3.54Å; D14-R18 IonicContact OD2-CZ 3.09Å; D14-R18 IonicContact OD2-NE 3.64Å; D14-R18 PolarHBondContact OD2-NE 3.35Å; D14-R18 IonicContact OD2-NH2 2.68Å; D14-R18 PolarHBondContact OD2-NH2 3.34Å; K15-R18 PolarHBondContact O-N 3.15Å; R18-L20 PolarHBondContact O-N 3.02Å; R18-S21 WeakPolarHBondContact O-CB 3.45Å; R18-S21 PolarHBondContact O-N 2.81Å; R18-S21 VanDerWaalsContact O-N 3.16Å; R18-V22 WeakPolarHBondContact O-CG2 3.49Å; R18-V22 PolarHBondContact O-N 2.77Å
19L93.7Very high92.8Very high1 Ų145.7 Ų45.71%0.00522%0.222CC..Hα-helixtrans-55.8-50.5174176.160.4000111.3K15 F16 S17 S21 V22 V23 F58 F63 Y276K15-L19 PolarHBondContact O-N 3.39Å; F16-L19 HydrophobicContact CD2-CD2 4.43Å; F16-L19 WeakPolarHBondContact O-CB 3.16Å; F16-L19 PolarHBondContact O-N 3.15Å; S17-L19 PolarHBondContact O-N 3.48Å; L19-S21 VanDerWaalsContact C-N 3.28Å; L19-S21 PolarHBondContact O-N 3.2Å; L19-V22 WeakPolarHBondContact O-CB 3.45Å; L19-V22 PolarHBondContact O-N 2.85Å; L19-V23 HydrophobicContact CD1-CG2 4.44Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.37Å; L19-F58 HydrophobicContact CD2-CB 4.12Å; L19-F58 HydrophobicContact CD2-CD1 3.67Å; L19-F58 HydrophobicContact CD2-CE1 4.26Å; L19-F58 HydrophobicContact CD2-CG 3.98Å; L19-F63 HydrophobicContact CD2-CZ 4.37Å; L19-Y276 HydrophobicContact CD1-CD1 3.78Å; L19-Y276 HydrophobicContact CD1-CD2 3.5Å; L19-Y276 HydrophobicContact CD1-CE1 4.07Å; L19-Y276 HydrophobicContact CD1-CE2 3.82Å; L19-Y276 HydrophobicContact CD1-CG 3.48Å; L19-Y276 VanDerWaalsContact CD1-CG 3.48Å
20L94.5Very high93Very high4 Ų441.6 Ų41.62%0.02120%0.201CC..Hα-helixtrans-64.4-32.3177.6-70.8170.6000112.6F16 S17 R18 V22 V23 S24 L41 P85 V88 F89 L92F16-L20 HydrophobicContact CD1-CD1 3.69Å; F16-L20 HydrophobicContact CD1-CG 4.39Å; F16-L20 HydrophobicContact CE1-CD1 3.4Å; F16-L20 VanDerWaalsContact CE1-CD1 3.4Å; F16-L20 HydrophobicContact CE1-CG 4.15Å; F16-L20 HydrophobicContact CZ-CD1 4.05Å; F16-L20 HydrophobicContact CZ-CG 4.37Å; F16-L20 WeakPolarHBondContact O-CG 3.24Å; F16-L20 PolarHBondContact O-N 3.25Å; S17-L20 PolarHBondContact O-N 2.72Å; R18-L20 PolarHBondContact O-N 3.02Å; L20-V22 VanDerWaalsContact C-N 3.3Å; L20-V22 PolarHBondContact O-N 2.85Å; L20-V23 PolarHBondContact O-N 2.85Å; L20-S24 VanDerWaalsContact O-CB 3.24Å; L20-S24 WeakPolarHBondContact O-CB 3.43Å; L20-S24 PolarHBondContact O-N 3.37Å; L20-S24 PolarHBondContact O-OG 2.92Å; L20-L41 HydrophobicContact CD2-CD1 4.24Å; L20-P85 HydrophobicContact CD2-CB 4.25Å; L20-V88 HydrophobicContact CD1-CB 3.76Å; L20-V88 HydrophobicContact CD1-CG1 3.32Å; L20-F89 HydrophobicContact CB-CB 4.08Å; L20-L92 HydrophobicContact CD1-CD1 4.03Å
21S93.2Very high93.3Very high26 Ų2641 Ų4118%0.18219%0.192CC..Hα-helixtrans-64.5-33.3171.3-175.30000112.7S17 R18 L19 S24 K25S17-S21 PolarHBondContact O-N 2.92Å; R18-S21 WeakPolarHBondContact O-CB 3.45Å; R18-S21 PolarHBondContact O-N 2.81Å; R18-S21 VanDerWaalsContact O-N 3.16Å; L19-S21 VanDerWaalsContact C-N 3.28Å; L19-S21 PolarHBondContact O-N 3.2Å; S21-S24 PolarHBondContact O-OG 2.78Å; S21-K25 WeakPolarHBondContact O-CG 3.41Å
22V94.5Very high93.6Very high2 Ų235.6 Ų35.61%0.01216%0.164CC..Hα-helixtrans-70.8-50174.6172.50000109.3R18 L19 L20 S24 K25 I249 L278R18-V22 WeakPolarHBondContact O-CG2 3.49Å; R18-V22 PolarHBondContact O-N 2.77Å; L19-V22 WeakPolarHBondContact O-CB 3.45Å; L19-V22 PolarHBondContact O-N 2.85Å; L20-V22 VanDerWaalsContact C-N 3.3Å; L20-V22 PolarHBondContact O-N 2.85Å; V22-S24 VanDerWaalsContact C-N 3.33Å; V22-S24 PolarHBondContact O-N 3.12Å; V22-K25 PolarHBondContact O-N 3.39Å; V22-I249 HydrophobicContact CG1-CB 4.05Å; V22-I249 HydrophobicContact CG1-CD1 4.17Å; V22-I249 HydrophobicContact CG1-CG2 3.98Å; V22-I249 HydrophobicContact CG2-CB 4.44Å; V22-L278 HydrophobicContact CG1-CD1 3.75Å
23V95.5Very high93.8Very high0 Ų037.5 Ų37.50%017%0.17CC..Hα-helixtrans-61.4-39.6-179.6175.60000111.7L19 L20 K25 L26 C27 L41 L54 C56 P85 L278L19-V23 HydrophobicContact CD1-CG2 4.44Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.37Å; L20-V23 PolarHBondContact O-N 2.85Å; V23-K25 PolarHBondContact O-N 2.94Å; V23-L26 PolarHBondContact O-N 3.05Å; V23-C27 VanDerWaalsContact CG1-SG 3.58Å; V23-C27 PolarHBondContact O-N 3.46Å; V23-C27 PolarHBondContact O-SG 2.94Å; V23-C27 VanDerWaalsContact O-SG 3.41Å; V23-L41 HydrophobicContact CG1-CD1 4.4Å; V23-L41 HydrophobicContact CG2-CD1 4.16Å; V23-L54 HydrophobicContact CG1-CD2 4.08Å; V23-C56 HydrophobicContact CG2-CB 4.41Å; V23-P85 HydrophobicContact CB-CB 4.43Å; V23-P85 HydrophobicContact CG1-CB 3.97Å; V23-P85 HydrophobicContact CG1-CG 4.1Å; V23-L278 HydrophobicContact CG2-CD1 4.04Å
24S94.7Very high93.9Very high22 Ų2237.4 Ų37.415%0.15417%0.17CC..Hα-helixtrans-66-21.6179.572.80000114.2L20 S21 V22 L26L20-S24 VanDerWaalsContact O-CB 3.24Å; L20-S24 WeakPolarHBondContact O-CB 3.43Å; L20-S24 PolarHBondContact O-N 3.37Å; L20-S24 PolarHBondContact O-OG 2.92Å; S21-S24 PolarHBondContact O-OG 2.78Å; V22-S24 VanDerWaalsContact C-N 3.33Å; V22-S24 PolarHBondContact O-N 3.12Å; S24-L26 VanDerWaalsContact C-N 3.33Å
25K94.3Very high94.1Very high114 Ų11435 Ų3550%0.49616%0.158SC..Hα-helixtrans-77.6-19.1171.7-65.7-62.1-179.2-170.10113.1S21 V22 V23 M245 I249S21-K25 WeakPolarHBondContact O-CG 3.41Å; V22-K25 PolarHBondContact O-N 3.39Å; V23-K25 PolarHBondContact O-N 2.94Å; K25-M245 WeakPolarHBondContact O-CE 3.5Å; K25-I249 HydrophobicContact CB-CG2 4.09Å
26L94.6Very high94.2Very high0 Ų037.9 Ų37.90%017%0.17CC..Hα-helixtrans-103.8-29-174.7-57.2179.3000112.9V23 S24 L54 M245 F246 I249 L278 Y280V23-L26 PolarHBondContact O-N 3.05Å; S24-L26 VanDerWaalsContact C-N 3.33Å; L26-L54 HydrophobicContact CB-CD1 4.31Å; L26-L54 HydrophobicContact CB-CD2 3.95Å; L26-L54 HydrophobicContact CD1-CD1 3.54Å; L26-L54 HydrophobicContact CD1-CD2 4.43Å; L26-M245 HydrophobicContact CD2-CB 4.4Å; L26-F246 HydrophobicContact CD1-CD2 4.45Å; L26-F246 HydrophobicContact CD2-CB 4.16Å; L26-F246 HydrophobicContact CD2-CD2 4.33Å; L26-I249 HydrophobicContact CD2-CG2 4.05Å; L26-I249 HydrophobicContact CG-CG2 4.27Å; L26-L278 HydrophobicContact CD1-CD1 4.05Å; L26-L278 HydrophobicContact CD1-CD2 3.78Å; L26-L278 HydrophobicContact CD1-CG 4.46Å; L26-Y280 HydrophobicContact CD2-CE1 4.39Å
27C93.6Very high94.1Very high5 Ų543.1 Ų43.13%0.03420%0.198CC..  trans-143.5143.9177.162.50000112.5V23 K43 L54 P85V23-C27 VanDerWaalsContact CG1-SG 3.58Å; V23-C27 PolarHBondContact O-N 3.46Å; V23-C27 PolarHBondContact O-SG 2.94Å; V23-C27 VanDerWaalsContact O-SG 3.41Å; C27-K43 HydrophobicContact CB-CB 3.93Å; C27-K43 HydrophobicContact CB-CD 3.97Å; C27-K43 HydrophobicContact CB-CG 3.73Å; C27-L54 HydrophobicContact CB-CD2 4.44Å; C27-P85 WeakPolarHBondContact O-CG 3.4Å
28K92.7Very high94Very high195 Ų19547.7 Ų47.785%0.84822%0.217SC*.SBendtrans-79.6-34.7175.3-67.1-176.1178.5-179.40112.9S84K28-S84 PolarHBondContact O-OG 3.22Å; K28-S84 VanDerWaalsContact O-OG 3.13Å
29E94.6Very high94.2Very high69 Ų6941.5 Ų41.532%0.32219%0.194SC..SBendtrans-133.7134178.7-165.2179.6-176.300107.7K44 A82 L83E29-K44 HydrophobicContact CB-CD 4.34Å; E29-K44 HydrophobicContact CG-CD 3.92Å; E29-K44 PolarHBondContact O-N 2.93Å; E29-K44 IonicContact OE1-NZ 2.81Å; E29-K44 PolarHBondContact OE1-NZ 3.5Å; E29-K44 WeakPolarHBondContact OE2-CD 3.33Å; E29-K44 IonicContact OE2-NZ 3.06Å; E29-K44 PolarHBondContact OE2-NZ 3.07Å; E29-A82 HydrophobicContact CG-CB 4.37Å; E29-A82 WeakPolarHBondContact OE1-CB 3.34Å; E29-L83 WeakPolarHBondContact CA-O 3.41Å
30C95.3Very high94.2Very high0 Ų042.2 Ų42.20%020%0.197CC..EExtended strand (participates in β ladder)trans-120148.3175.862.40000110.8A42 A82 L83C30-A42 CarbonylContact C-O 3.56Å; C30-A42 WeakPolarHBondContact CA-O 3.5Å; C30-A42 VanDerWaalsContact CB-O 3.22Å; C30-A42 WeakPolarHBondContact CB-O 3.35Å; C30-A82 VanDerWaalsContact O-CA 3.3Å; C30-A82 WeakPolarHBondContact O-CA 3.49Å; C30-L83 PolarHBondContact N-O 3.06Å; C30-L83 PolarHBondContact O-N 2.78Å; C30-L83 WeakPolarHBondContact SG-CD1 3.48Å
31E95.9Very high94.4Very high16 Ų1642.1 Ų42.18%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-85.2142.2165.7-36.5-162.7151.200108.3L41 A42 K44 L81 W138 A147 F148E31-L41 CarbonylContact O-C 3.57Å; E31-L41 WeakPolarHBondContact O-CA 3.08Å; E31-A42 HydrophobicContact CB-CB 4.44Å; E31-A42 PolarHBondContact N-O 3.04Å; E31-A42 PolarHBondContact O-N 3.49Å; E31-K44 HydrophobicContact CG-CB 3.82Å; E31-K44 HydrophobicContact CG-CG 4.2Å; E31-L81 CarbonylContact C-O 3.41Å; E31-L81 WeakPolarHBondContact CA-O 3.34Å; E31-W138 HydrophobicContact CB-CH2 3.83Å; E31-W138 HydrophobicContact CB-CZ3 3.87Å; E31-W138 HydrophobicContact CG-CH2 3.51Å; E31-W138 HydrophobicContact CG-CZ3 3.94Å; E31-W138 VanDerWaalsContact OE1-CH2 3.24Å; E31-W138 WeakPolarHBondContact OE1-CH2 3.15Å; E31-A147 WeakPolarHBondContact OE2-CB 3.35Å; E31-F148 HydrophobicContact CB-CZ 3.86Å
32V96.6Very high94.5Very high0 Ų041 Ų410%019%0.189CC..EExtended strand (participates in β ladder)trans-125.6126.6-180-1750000108.1I34 F39 Q40 L41 Y80 L81 L83V32-I34 HydrophobicContact CG1-CD1 4.41Å; V32-I34 HydrophobicContact CG1-CG1 3.89Å; V32-F39 HydrophobicContact CG1-CD1 3.97Å; V32-F39 HydrophobicContact CG1-CE1 3.4Å; V32-F39 VanDerWaalsContact CG1-CE1 3.4Å; V32-F39 HydrophobicContact CG1-CE2 4.02Å; V32-F39 HydrophobicContact CG1-CZ 3.44Å; V32-F39 VanDerWaalsContact CG1-CZ 3.44Å; V32-Q40 WeakPolarHBondContact CA-O 3.33Å; V32-L41 HydrophobicContact CB-CD2 4.29Å; V32-L41 HydrophobicContact CG1-CD2 4.17Å; V32-L41 HydrophobicContact CG2-CD2 3.54Å; V32-Y80 WeakPolarHBondContact O-CA 3.23Å; V32-L81 HydrophobicContact CB-CD1 3.59Å; V32-L81 HydrophobicContact CB-CG 3.98Å; V32-L81 HydrophobicContact CG1-CD1 4.34Å; V32-L81 HydrophobicContact CG2-CD1 3.6Å; V32-L81 PolarHBondContact N-O 3.08Å; V32-L81 PolarHBondContact O-N 3.2Å; V32-L83 HydrophobicContact CG2-CD2 3.79Å; V32-L83 HydrophobicContact CG2-CG 3.87Å
33R96.3Very high94.5Very high44 Ų4441.6 Ų41.617%0.16619%0.191CC..EExtended strand (participates in β ladder)trans-107.7122.5169.8-178.2-177.4-176.5-173.15.9108.9F39 Q40 E78 Y80 F148R33-F39 WeakPolarHBondContact O-CA 3.47Å; R33-Q40 PolarHBondContact N-O 3.09Å; R33-Q40 PolarHBondContact O-N 2.9Å; R33-E78 IonicContact CZ-OE1 3.88Å; R33-E78 IonicContact CZ-OE2 2.75Å; R33-E78 IonicContact NE-OE1 2.73Å; R33-E78 IonicContact NE-OE2 2.75Å; R33-E78 PolarHBondContact NE-OE2 3.3Å; R33-E78 VanDerWaalsContact NH2-CD 3.3Å; R33-E78 IonicContact NH2-OE1 2.67Å; R33-E78 PolarHBondContact NH2-OE1 3.39Å; R33-E78 IonicContact NH2-OE2 3.75Å; R33-E78 PolarHBondContact NH2-OE2 2.91Å; R33-Y80 HydrophobicContact CB-CE1 4.24Å; R33-Y80 VanDerWaalsContact CD-OH 3.31Å; R33-Y80 WeakPolarHBondContact CD-OH 3.27Å; R33-Y80 HydrophobicContact CG-CE1 4.11Å; R33-Y80 HydrophobicContact CG-CE2 4.07Å; R33-Y80 PolarHBondContact NE-OH 2.93Å; R33-F148 HydrophobicContact CB-CD1 3.86Å; R33-F148 HydrophobicContact CB-CD2 4.06Å; R33-F148 HydrophobicContact CB-CE1 3.57Å; R33-F148 HydrophobicContact CB-CE2 3.82Å; R33-F148 HydrophobicContact CB-CG 4.09Å; R33-F148 HydrophobicContact CB-CZ 3.55Å
34I95.6Very high94.3Very high1 Ų144.9 Ų44.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-112.8119.8176.4-48.6-179000107.5F3 V32 F39 F67 M69 E78 I79 L81F3-I34 HydrophobicContact CD1-CD1 4.03Å; F3-I34 HydrophobicContact CD2-CD1 4.2Å; F3-I34 HydrophobicContact CD2-CG2 3.88Å; F3-I34 HydrophobicContact CE1-CD1 4.26Å; F3-I34 HydrophobicContact CE2-CD1 4.44Å; F3-I34 HydrophobicContact CE2-CG2 4.08Å; F3-I34 HydrophobicContact CG-CD1 4Å; F3-I34 HydrophobicContact CZ-CD1 4.47Å; V32-I34 HydrophobicContact CG1-CD1 4.41Å; V32-I34 HydrophobicContact CG1-CG1 3.89Å; I34-F39 HydrophobicContact CD1-CD2 4.17Å; I34-F39 HydrophobicContact CD1-CE2 3.8Å; I34-F39 HydrophobicContact CG1-CD2 3.9Å; I34-F39 HydrophobicContact CG1-CE2 3.94Å; I34-F39 HydrophobicContact CG2-CD2 4.43Å; I34-F67 HydrophobicContact CG2-CE1 4.29Å; I34-F67 HydrophobicContact CG2-CZ 3.68Å; I34-M69 HydrophobicContact CG2-CB 4.26Å; I34-M69 HydrophobicContact CG2-CE 4.24Å; I34-M69 HydrophobicContact CG2-CG 4.45Å; I34-M69 WeakPolarHBondContact O-CE 3.42Å; I34-E78 WeakPolarHBondContact O-CA 3.29Å; I34-I79 HydrophobicContact CB-CB 4.21Å; I34-I79 PolarHBondContact N-O 3.38Å; I34-I79 PolarHBondContact O-N 3.08Å; I34-L81 HydrophobicContact CD1-CD2 4.18Å
35C93.4Very high93.9Very high10 Ų1050.7 Ų50.77%0.06823%0.231CC..  trans-118.4176.5170.9-59.70000108.6D37 K38 F67 M69C35-D37 PolarHBondContact O-N 3.48Å; C35-K38 HydrophobicContact CB-CB 4.22Å; C35-K38 PolarHBondContact N-O 2.93Å; C35-F67 WeakPolarHBondContact O-CE1 3.32Å; C35-M69 VanDerWaalsContact CA-CE 3.48Å
36K92.1Very high93.5Very high142 Ų14247.2 Ų47.262%0.61722%0.223SC*.SBendtrans-59.5-33.2178.2-75178.8173.1149.30113.8M69 D77K36-M69 HydrophobicContact CG-CG 4.32Å; K36-M69 HydrophobicContact CG-SD 3.74Å; K36-D77 WeakPolarHBondContact CE-OD2 3.27Å; K36-D77 IonicContact NZ-OD2 2.85Å; K36-D77 PolarHBondContact NZ-OD2 2.89Å
37D91.4Very high92.8Very high112 Ų11252.4 Ų52.460%0.59927%0.266SS*.SBendtrans-117.7-6.6-171.264.2-35000113.3C35 L60C35-D37 PolarHBondContact O-N 3.48Å; D37-L60 VanDerWaalsContact O-CD1 3.32Å; D37-L60 WeakPolarHBondContact O-CD1 3.49Å
38K91.5Very high92.3Very high102 Ų10257.6 Ų57.644%0.44330%0.297SS..  trans-135.3144.1-174.2-62.3177.7-173.8-178.80112.5C35 Q40C35-K38 HydrophobicContact CB-CB 4.22Å; C35-K38 PolarHBondContact N-O 2.93Å; K38-Q40 HydrophobicContact CB-CG 4.19Å
39F93.5Very high91.7Very high7 Ų749.4 Ų49.43%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-132.6109.2164.3-171-64.1000106.6F3 V32 R33 I34 L41 F58 L60 F67 M103F3-F39 HydrophobicContact CE1-CE2 4.28Å; F3-F39 HydrophobicContact CZ-CD2 4.23Å; F3-F39 AromaticContact CZ-CE2 3.99Å; F3-F39 HydrophobicContact CZ-CE2 3.99Å; V32-F39 HydrophobicContact CG1-CD1 3.97Å; V32-F39 HydrophobicContact CG1-CE1 3.4Å; V32-F39 VanDerWaalsContact CG1-CE1 3.4Å; V32-F39 HydrophobicContact CG1-CE2 4.02Å; V32-F39 HydrophobicContact CG1-CZ 3.44Å; V32-F39 VanDerWaalsContact CG1-CZ 3.44Å; R33-F39 WeakPolarHBondContact O-CA 3.47Å; I34-F39 HydrophobicContact CD1-CD2 4.17Å; I34-F39 HydrophobicContact CD1-CE2 3.8Å; I34-F39 HydrophobicContact CG1-CD2 3.9Å; I34-F39 HydrophobicContact CG1-CE2 3.94Å; I34-F39 HydrophobicContact CG2-CD2 4.43Å; F39-L41 HydrophobicContact CD1-CD2 4.41Å; F39-L41 HydrophobicContact CE1-CD2 3.77Å; F39-L41 HydrophobicContact CE1-CG 4.42Å; F39-F58 HydrophobicContact CB-CE1 4.31Å; F39-F58 HydrophobicContact CB-CE2 4.1Å; F39-F58 HydrophobicContact CB-CZ 3.66Å; F39-F58 AromaticContact CD1-CE1 3.43Å; F39-F58 HydrophobicContact CD1-CE1 3.43Å; F39-F58 VanDerWaalsContact CD1-CE1 3.43Å; F39-F58 HydrophobicContact CD1-CE2 4.39Å; F39-F58 AromaticContact CD1-CZ 3.22Å; F39-F58 HydrophobicContact CD1-CZ 3.22Å; F39-F58 HydrophobicContact CE1-CE1 4.08Å; F39-F58 AromaticContact CE1-CZ 3.94Å; F39-F58 HydrophobicContact CE1-CZ 3.94Å; F39-F58 HydrophobicContact CG-CE1 4.21Å; F39-F58 HydrophobicContact CG-CE2 4.42Å; F39-F58 AromaticContact CG-CZ 3.59Å; F39-F58 HydrophobicContact CG-CZ 3.59Å; F39-F58 VanDerWaalsContact O-CE1 3.32Å; F39-F58 WeakPolarHBondContact O-CE1 3.39Å; F39-L60 HydrophobicContact CB-CD2 3.53Å; F39-F67 HydrophobicContact CB-CE2 4.32Å; F39-F67 HydrophobicContact CB-CZ 4.49Å; F39-F67 HydrophobicContact CD2-CE2 4.13Å; F39-F67 HydrophobicContact CD2-CZ 4.48Å; F39-M103 HydrophobicContact CE2-CE 3.84Å; F39-M103 HydrophobicContact CZ-CE 4.23Å
40Q95.4Very high91.1Very high15 Ų1550.3 Ų50.37%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-116.6145.1-173.4-53.4-179.5-87.900109.6V32 R33 K38 D57 F148V32-Q40 WeakPolarHBondContact CA-O 3.33Å; R33-Q40 PolarHBondContact N-O 3.09Å; R33-Q40 PolarHBondContact O-N 2.9Å; K38-Q40 HydrophobicContact CB-CG 4.19Å; Q40-D57 VanDerWaalsContact CG-OD1 3.24Å; Q40-D57 WeakPolarHBondContact CG-OD1 3.44Å; Q40-D57 PolarHBondContact NE2-OD1 3.44Å; Q40-F148 HydrophobicContact CB-CD1 3.63Å; Q40-F148 HydrophobicContact CB-CE1 4.09Å
41L96.9Very high90.8Very high3 Ų352.3 Ų52.32%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-115.1132.7174.6-58.3175000109L20 V23 E31 V32 F39 I55 C56L20-L41 HydrophobicContact CD2-CD1 4.24Å; V23-L41 HydrophobicContact CG1-CD1 4.4Å; V23-L41 HydrophobicContact CG2-CD1 4.16Å; E31-L41 CarbonylContact O-C 3.57Å; E31-L41 WeakPolarHBondContact O-CA 3.08Å; V32-L41 HydrophobicContact CB-CD2 4.29Å; V32-L41 HydrophobicContact CG1-CD2 4.17Å; V32-L41 HydrophobicContact CG2-CD2 3.54Å; F39-L41 HydrophobicContact CD1-CD2 4.41Å; F39-L41 HydrophobicContact CE1-CD2 3.77Å; F39-L41 HydrophobicContact CE1-CG 4.42Å; L41-I55 CarbonylContact O-C 3.5Å; L41-I55 WeakPolarHBondContact O-CA 3.4Å; L41-C56 HydrophobicContact CB-CB 4.19Å; L41-C56 PolarHBondContact N-O 3.32Å; L41-C56 PolarHBondContact O-N 2.8Å
42A96.8Very high90.7Very high1 Ų151.8 Ų51.81%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-124.9149170.400000110.1C30 E31 K44 L54 A147 F148C30-A42 CarbonylContact C-O 3.56Å; C30-A42 WeakPolarHBondContact CA-O 3.5Å; C30-A42 VanDerWaalsContact CB-O 3.22Å; C30-A42 WeakPolarHBondContact CB-O 3.35Å; E31-A42 HydrophobicContact CB-CB 4.44Å; E31-A42 PolarHBondContact N-O 3.04Å; E31-A42 PolarHBondContact O-N 3.49Å; A42-K44 PolarHBondContact O-N 3Å; A42-L54 CarbonylContact C-O 3.58Å; A42-L54 VanDerWaalsContact CA-O 3.23Å; A42-L54 WeakPolarHBondContact CA-O 3.37Å; A42-A147 HydrophobicContact CB-CB 4.19Å; A42-A147 WeakPolarHBondContact CB-O 3.46Å; A42-F148 HydrophobicContact CB-CD1 3.93Å; A42-F148 HydrophobicContact CB-CE1 3.67Å; A42-F148 HydrophobicContact CB-CZ 4.04Å
43K95Very high90.6Very high16 Ų1656.9 Ų56.97%0.0731%0.31CS..EExtended strand (participates in β ladder)trans-69.3129.4170.3168.2172.1-178.6169.60108.6C27 E45 D49 Q52 L54C27-K43 HydrophobicContact CB-CB 3.93Å; C27-K43 HydrophobicContact CB-CD 3.97Å; C27-K43 HydrophobicContact CB-CG 3.73Å; K43-E45 PolarHBondContact O-N 2.9Å; K43-D49 VanDerWaalsContact CE-OD1 3.24Å; K43-D49 WeakPolarHBondContact CE-OD1 3.46Å; K43-D49 WeakPolarHBondContact CE-OD2 3.43Å; K43-D49 IonicContact NZ-OD1 3.33Å; K43-D49 PolarHBondContact NZ-OD1 2.89Å; K43-D49 IonicContact NZ-OD2 2.59Å; K43-D49 PolarHBondContact NZ-OD2 3.23Å; K43-Q52 VanDerWaalsContact NZ-OE1 3.08Å; K43-L54 HydrophobicContact CB-CB 3.52Å; K43-L54 HydrophobicContact CB-CD2 4.36Å; K43-L54 HydrophobicContact CD-CB 4.5Å; K43-L54 PolarHBondContact N-O 3.04Å
44K90.9Very high90.6Very high68 Ų6854.9 Ų54.930%0.29630%0.302SS..PPolyproline II helixtrans-67.7127.5171.4-172.9-177-179.6-176.10109E29 E31 A42 A46E29-K44 HydrophobicContact CB-CD 4.34Å; E29-K44 HydrophobicContact CG-CD 3.92Å; E29-K44 PolarHBondContact O-N 2.93Å; E29-K44 IonicContact OE1-NZ 2.81Å; E29-K44 PolarHBondContact OE1-NZ 3.5Å; E29-K44 WeakPolarHBondContact OE2-CD 3.33Å; E29-K44 IonicContact OE2-NZ 3.06Å; E29-K44 PolarHBondContact OE2-NZ 3.07Å; E31-K44 HydrophobicContact CG-CB 3.82Å; E31-K44 HydrophobicContact CG-CG 4.2Å; A42-K44 PolarHBondContact O-N 3Å; K44-A46 PolarHBondContact O-N 2.8Å
45E85.9Confident90.6Very high145 Ų14554.9 Ų54.968%0.67830%0.302SS*.PPolyproline II helixtrans-68.6129.1-177.3-171169.2-176.100111K43K43-E45 PolarHBondContact O-N 2.9Å
46A84.8Confident90.7Very high41 Ų4154.4 Ų54.434%0.33930%0.299SS..  trans-133.5145170.900000110.3K44 V48 D49K44-A46 PolarHBondContact O-N 2.8Å; A46-V48 HydrophobicContact CB-CG2 3.93Å; A46-V48 PolarHBondContact O-N 3.11Å; A46-D49 WeakPolarHBondContact CB-OD2 3.5Å; A46-D49 PolarHBondContact N-OD2 3.46Å; A46-D49 WeakPolarHBondContact O-CB 3.16Å; A46-D49 PolarHBondContact O-N 3.37Å
47A80.5Confident90.7Very high109 Ų10949.4 Ų49.490%0.90128%0.279SS*.G310 helixtrans-55-30.6-179.600000113.2D49A47-D49 PolarHBondContact O-N 3.17Å
48V82.6Confident90.8Very high113 Ų11344.9 Ų44.969%0.68525%0.254SS*.G310 helixtrans-71-10.2178.8-62.20000114.4A46 N50 W242A46-V48 HydrophobicContact CB-CG2 3.93Å; A46-V48 PolarHBondContact O-N 3.11Å; V48-N50 VanDerWaalsContact C-N 3.34Å; V48-W242 WeakPolarHBondContact O-CH2 3.18Å; V48-W242 VanDerWaalsContact O-CZ2 3.31Å; V48-W242 WeakPolarHBondContact O-CZ2 3.33Å
49D81Confident90.7Very high23 Ų2342.7 Ų42.712%0.12325%0.252CS..G310 helixtrans-89.71.7-176.6-67.6-48000113.4K43 A46 A47 G51 Q52K43-D49 VanDerWaalsContact CE-OD1 3.24Å; K43-D49 WeakPolarHBondContact CE-OD1 3.46Å; K43-D49 WeakPolarHBondContact CE-OD2 3.43Å; K43-D49 IonicContact NZ-OD1 3.33Å; K43-D49 PolarHBondContact NZ-OD1 2.89Å; K43-D49 IonicContact NZ-OD2 2.59Å; K43-D49 PolarHBondContact NZ-OD2 3.23Å; A46-D49 WeakPolarHBondContact CB-OD2 3.5Å; A46-D49 PolarHBondContact N-OD2 3.46Å; A46-D49 WeakPolarHBondContact O-CB 3.16Å; A46-D49 PolarHBondContact O-N 3.37Å; A47-D49 PolarHBondContact O-N 3.17Å; D49-G51 PolarHBondContact O-N 2.87Å; D49-Q52 HydrophobicContact CB-CB 4.46Å; D49-Q52 WeakPolarHBondContact O-CB 3.35Å; D49-Q52 WeakPolarHBondContact O-CG 3.31Å; D49-Q52 PolarHBondContact O-N 2.91Å; D49-Q52 PolarHBondContact O-NE2 3.13Å
50N82.3Confident90.7Very high89 Ų8943.4 Ų43.448%0.47626%0.256SS..THydrogen-bonded Turntrans45.641.4176.7-154.925000113.4V48 Q52 E239 P283V48-N50 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 2.66Å; N50-E239 PolarHBondContact ND2-OE1 2.88Å; N50-P283 WeakPolarHBondContact O-CG 2.87Å
51G88.9Confident90.5Very high41 Ų4146.6 Ų46.642%0.42329%0.285SS..THydrogen-bonded Turntrans77.39.3178.200000116.7D49 P283D49-G51 PolarHBondContact O-N 2.87Å; G51-P283 WeakPolarHBondContact O-CG 3.44Å
52Q93.2Very high90.2Very high6 Ų648.2 Ų48.23%0.02830%0.296CS..  trans-60.9140.2172.4-72.8156.763.600111.9K43 D49 N50 W242 Y280 L281K43-Q52 VanDerWaalsContact NZ-OE1 3.08Å; D49-Q52 HydrophobicContact CB-CB 4.46Å; D49-Q52 WeakPolarHBondContact O-CB 3.35Å; D49-Q52 WeakPolarHBondContact O-CG 3.31Å; D49-Q52 PolarHBondContact O-N 2.91Å; D49-Q52 PolarHBondContact O-NE2 3.13Å; N50-Q52 PolarHBondContact O-N 2.66Å; Q52-W242 VanDerWaalsContact CD-CE3 3.4Å; Q52-W242 HydrophobicContact CG-CB 4.37Å; Q52-W242 HydrophobicContact CG-CD2 4.47Å; Q52-W242 HydrophobicContact CG-CG 4.2Å; Q52-W242 VanDerWaalsContact NE2-CG 3.27Å; Q52-W242 VanDerWaalsContact NE2-CH2 3.29Å; Q52-W242 VanDerWaalsContact OE1-CE3 3.25Å; Q52-Y280 HydrophobicContact CB-CE2 4.15Å; Q52-Y280 VanDerWaalsContact CD-OH 3.3Å; Q52-Y280 HydrophobicContact CG-CE2 4.24Å; Q52-Y280 PolarHBondContact OE1-OH 3.35Å; Q52-L281 VanDerWaalsContact CA-O 3.28Å; Q52-L281 WeakPolarHBondContact CA-O 2.99Å
53K94.6Very high90.1Very high106 Ų10648.2 Ų48.246%0.46130%0.296SS..EExtended strand (participates in β ladder)trans-124.5148.4173.3-59.4-168.9175.3-171.60110.5F151 Y280 L281K53-F151 HydrophobicContact CB-CE1 3.74Å; K53-F151 HydrophobicContact CB-CZ 3.52Å; K53-F151 HydrophobicContact CD-CE1 3.85Å; K53-F151 HydrophobicContact CG-CE1 4.44Å; K53-Y280 CarbonylContact O-C 3.6Å; K53-Y280 WeakPolarHBondContact O-CA 3.26Å; K53-Y280 VanDerWaalsContact O-CD2 3.28Å; K53-Y280 WeakPolarHBondContact O-CD2 3.2Å; K53-L281 HydrophobicContact CB-CB 4.28Å; K53-L281 HydrophobicContact CB-CD1 4.28Å; K53-L281 HydrophobicContact CB-CG 4.37Å; K53-L281 PolarHBondContact N-O 3.31Å; K53-L281 PolarHBondContact O-N 3.35Å
54L96Very high90.1Very high3 Ų348 Ų482%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-136.5131.8174.5178.874.6000107.7V23 L26 C27 A42 K43 L278 Q279 Y280V23-L54 HydrophobicContact CG1-CD2 4.08Å; L26-L54 HydrophobicContact CB-CD1 4.31Å; L26-L54 HydrophobicContact CB-CD2 3.95Å; L26-L54 HydrophobicContact CD1-CD1 3.54Å; L26-L54 HydrophobicContact CD1-CD2 4.43Å; C27-L54 HydrophobicContact CB-CD2 4.44Å; A42-L54 CarbonylContact C-O 3.58Å; A42-L54 VanDerWaalsContact CA-O 3.23Å; A42-L54 WeakPolarHBondContact CA-O 3.37Å; K43-L54 HydrophobicContact CB-CB 3.52Å; K43-L54 HydrophobicContact CB-CD2 4.36Å; K43-L54 HydrophobicContact CD-CB 4.5Å; K43-L54 PolarHBondContact N-O 3.04Å; L54-L278 HydrophobicContact CD1-CD1 4.04Å; L54-L278 HydrophobicContact CD1-CD2 3.83Å; L54-L278 HydrophobicContact CD1-CG 3.77Å; L54-Q279 CarbonylContact C-O 3.46Å; L54-Q279 VanDerWaalsContact CA-O 3.27Å; L54-Q279 WeakPolarHBondContact CA-O 3.36Å; L54-Y280 HydrophobicContact CB-CD2 4.27Å; L54-Y280 HydrophobicContact CD1-CD2 4.09Å; L54-Y280 HydrophobicContact CD1-CG 4.45Å
55I96.1Very high90.3Very high1 Ų147.9 Ų47.91%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-130.4136.3168.4-61.8173.3000107.3L41 A147 D149 F151 L278 Q279L41-I55 CarbonylContact O-C 3.5Å; L41-I55 WeakPolarHBondContact O-CA 3.4Å; I55-A147 WeakPolarHBondContact CD1-O 3.17Å; I55-A147 WeakPolarHBondContact CG1-O 3.41Å; I55-D149 WeakPolarHBondContact CD1-O 2.88Å; I55-F151 HydrophobicContact CB-CE2 4.45Å; I55-F151 HydrophobicContact CB-CZ 4.34Å; I55-F151 HydrophobicContact CD1-CD1 4.14Å; I55-F151 HydrophobicContact CD1-CE1 3.52Å; I55-F151 HydrophobicContact CD1-CE2 4.06Å; I55-F151 HydrophobicContact CD1-CZ 3.48Å; I55-F151 VanDerWaalsContact CD1-CZ 3.48Å; I55-F151 HydrophobicContact CG1-CE1 4.14Å; I55-F151 HydrophobicContact CG1-CE2 4.19Å; I55-F151 HydrophobicContact CG1-CZ 3.63Å; I55-L278 WeakPolarHBondContact O-CA 3.39Å; I55-Q279 PolarHBondContact N-O 3.41Å; I55-Q279 PolarHBondContact O-N 3.4Å
56C95.7Very high90.8Very high0 Ų044.7 Ų44.70%029%0.288CS..EExtended strand (participates in β ladder)trans-135.5121.5176.2-178.50000110V23 L41 R277 L278V23-C56 HydrophobicContact CG2-CB 4.41Å; L41-C56 HydrophobicContact CB-CB 4.19Å; L41-C56 PolarHBondContact N-O 3.32Å; L41-C56 PolarHBondContact O-N 2.8Å; C56-R277 WeakPolarHBondContact CA-O 3.39Å; C56-L278 HydrophobicContact CB-CB 4.47Å; C56-L278 HydrophobicContact CB-CD1 4.34Å; C56-L278 HydrophobicContact CB-CG 4.45Å
57D92.7Very high91.3Very high36 Ų3644.8 Ų44.819%0.19328%0.281CS..EExtended strand (participates in β ladder)trans-113.7141.2177.1-58.7-56.6000109.1Q40 Y276 R277Q40-D57 VanDerWaalsContact CG-OD1 3.24Å; Q40-D57 WeakPolarHBondContact CG-OD1 3.44Å; Q40-D57 PolarHBondContact NE2-OD1 3.44Å; D57-Y276 CarbonylContact O-C 3.52Å; D57-Y276 VanDerWaalsContact O-CA 3.27Å; D57-Y276 WeakPolarHBondContact O-CA 3.25Å; D57-Y276 WeakPolarHBondContact O-CB 3.43Å; D57-R277 PolarHBondContact N-O 3.5Å; D57-R277 PolarHBondContact O-N 2.87Å
58F92.4Very high92Very high17 Ų1748 Ų488%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-145151178.266-101.3000111.4F16 L19 F39 L60 F63 F64 D275F16-F58 HydrophobicContact CD2-CZ 4.46Å; F16-F58 HydrophobicContact CE2-CE1 4.09Å; F16-F58 HydrophobicContact CE2-CE2 4.16Å; F16-F58 AromaticContact CE2-CZ 3.65Å; F16-F58 HydrophobicContact CE2-CZ 3.65Å; L19-F58 HydrophobicContact CD2-CB 4.12Å; L19-F58 HydrophobicContact CD2-CD1 3.67Å; L19-F58 HydrophobicContact CD2-CE1 4.26Å; L19-F58 HydrophobicContact CD2-CG 3.98Å; F39-F58 HydrophobicContact CB-CE1 4.31Å; F39-F58 HydrophobicContact CB-CE2 4.1Å; F39-F58 HydrophobicContact CB-CZ 3.66Å; F39-F58 AromaticContact CD1-CE1 3.43Å; F39-F58 HydrophobicContact CD1-CE1 3.43Å; F39-F58 VanDerWaalsContact CD1-CE1 3.43Å; F39-F58 HydrophobicContact CD1-CE2 4.39Å; F39-F58 AromaticContact CD1-CZ 3.22Å; F39-F58 HydrophobicContact CD1-CZ 3.22Å; F39-F58 HydrophobicContact CE1-CE1 4.08Å; F39-F58 AromaticContact CE1-CZ 3.94Å; F39-F58 HydrophobicContact CE1-CZ 3.94Å; F39-F58 HydrophobicContact CG-CE1 4.21Å; F39-F58 HydrophobicContact CG-CE2 4.42Å; F39-F58 AromaticContact CG-CZ 3.59Å; F39-F58 HydrophobicContact CG-CZ 3.59Å; F39-F58 VanDerWaalsContact O-CE1 3.32Å; F39-F58 WeakPolarHBondContact O-CE1 3.39Å; F58-L60 HydrophobicContact CE2-CD2 4.15Å; F58-L60 PolarHBondContact O-N 3.33Å; F58-F63 HydrophobicContact CB-CD2 4.47Å; F58-F63 HydrophobicContact CB-CE2 3.74Å; F58-F63 HydrophobicContact CB-CZ 4.42Å; F58-F63 AromaticContact CD2-CD2 3.4Å; F58-F63 HydrophobicContact CD2-CD2 3.4Å; F58-F63 VanDerWaalsContact CD2-CD2 3.4Å; F58-F63 AromaticContact CD2-CE2 3.54Å; F58-F63 HydrophobicContact CD2-CE2 3.54Å; F58-F63 HydrophobicContact CD2-CG 4.35Å; F58-F63 HydrophobicContact CD2-CZ 4.5Å; F58-F63 AromaticContact CE2-CD2 3.96Å; F58-F63 HydrophobicContact CE2-CD2 3.96Å; F58-F63 HydrophobicContact CE2-CE2 4.43Å; F58-F63 HydrophobicContact CG-CD2 4.26Å; F58-F63 AromaticContact CG-CE2 3.94Å; F58-F63 HydrophobicContact CG-CE2 3.94Å; F58-F64 AromaticContact CE2-CE2 3.91Å; F58-F64 HydrophobicContact CE2-CE2 3.91Å; F58-F64 HydrophobicContact CZ-CE2 4.47Å; F58-D275 WeakPolarHBondContact CA-O 3.47Å; F58-D275 WeakPolarHBondContact CB-O 3.14Å
59S88.8Confident92.6Very high56 Ų5643.3 Ų43.339%0.39224%0.241SC..  trans-75.1116-176.8173.80000110.5A61 S62 F63 D275S59-A61 PolarHBondContact O-N 3.39Å; S59-A61 VanDerWaalsContact O-N 3.16Å; S59-S62 WeakPolarHBondContact O-CB 3.35Å; S59-S62 PolarHBondContact O-N 3.43Å; S59-F63 WeakPolarHBondContact O-CD2 3.41Å; S59-D275 PolarHBondContact N-O 2.83Å; S59-D275 VanDerWaalsContact N-O 3.16Å
60L93.8Very high93.3Very high22 Ų2246.5 Ų46.512%0.11526%0.258CS..Hα-helixtrans-53.4-39178-64.6-173.6000112.5D37 F39 F58 S62 F63 F64 F67D37-L60 VanDerWaalsContact O-CD1 3.32Å; D37-L60 WeakPolarHBondContact O-CD1 3.49Å; F39-L60 HydrophobicContact CB-CD2 3.53Å; F58-L60 HydrophobicContact CE2-CD2 4.15Å; F58-L60 PolarHBondContact O-N 3.33Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 2.84Å; L60-F63 PolarHBondContact O-N 3.23Å; L60-F63 VanDerWaalsContact O-N 3.11Å; L60-F64 HydrophobicContact CB-CD2 4.46Å; L60-F64 HydrophobicContact CD2-CD2 4.01Å; L60-F64 HydrophobicContact CD2-CE2 4.04Å; L60-F64 PolarHBondContact O-N 3.32Å; L60-F67 HydrophobicContact CD1-CD1 3.88Å; L60-F67 HydrophobicContact CD1-CD2 3.95Å; L60-F67 HydrophobicContact CD1-CE1 3.86Å; L60-F67 HydrophobicContact CD1-CE2 3.88Å; L60-F67 HydrophobicContact CD1-CG 3.92Å; L60-F67 HydrophobicContact CD1-CZ 3.82Å; L60-F67 HydrophobicContact CD2-CD2 3.92Å; L60-F67 HydrophobicContact CD2-CE2 3.57Å; L60-F67 HydrophobicContact CD2-CZ 4.12Å; L60-F67 HydrophobicContact CG-CD2 4.46Å; L60-F67 HydrophobicContact CG-CE2 4.37Å
61A92.4Very high93.8Very high83 Ų8342.6 Ų42.669%0.68624%0.238SC*.Hα-helixtrans-65.5-26.5-179.600000113.2S59 F63S59-A61 PolarHBondContact O-N 3.39Å; S59-A61 VanDerWaalsContact O-N 3.16Å; A61-F63 VanDerWaalsContact C-N 3.26Å; A61-F63 PolarHBondContact O-N 2.77Å
62S90.8Very high93.8Very high37 Ų3745.9 Ų45.926%0.25924%0.238SC..Hα-helixtrans-71.9-21.5175.6-64.70000112.7S59 L60 D275S59-S62 WeakPolarHBondContact O-CB 3.35Å; S59-S62 PolarHBondContact O-N 3.43Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 2.84Å; S62-D275 WeakPolarHBondContact CB-OD1 3.31Å; S62-D275 PolarHBondContact OG-OD1 2.83Å
63F93.3Very high93.6Very high1 Ų148.9 Ų48.90%0.00425%0.254CS..Hα-helixtrans-113.6-40.5-173.7-61.9-80.9000114F7 C8 S12 K15 F16 L19 F58 S59 L60 A61 D275F7-F63 WeakPolarHBondContact CA-O 3.43Å; C8-F63 PolarHBondContact N-O 2.77Å; S12-F63 WeakPolarHBondContact CB-O 3.1Å; S12-F63 PolarHBondContact OG-O 3.38Å; K15-F63 HydrophobicContact CB-CD1 4.35Å; K15-F63 HydrophobicContact CB-CE1 3.72Å; F16-F63 HydrophobicContact CB-CD1 3.68Å; F16-F63 HydrophobicContact CB-CE1 3.94Å; F16-F63 AromaticContact CD2-CD1 3.95Å; F16-F63 HydrophobicContact CD2-CD1 3.95Å; F16-F63 HydrophobicContact CD2-CE1 4.2Å; F16-F63 HydrophobicContact CD2-CG 4.3Å; F16-F63 HydrophobicContact CG-CD1 4.28Å; L19-F63 HydrophobicContact CD2-CZ 4.37Å; F58-F63 HydrophobicContact CB-CD2 4.47Å; F58-F63 HydrophobicContact CB-CE2 3.74Å; F58-F63 HydrophobicContact CB-CZ 4.42Å; F58-F63 AromaticContact CD2-CD2 3.4Å; F58-F63 HydrophobicContact CD2-CD2 3.4Å; F58-F63 VanDerWaalsContact CD2-CD2 3.4Å; F58-F63 AromaticContact CD2-CE2 3.54Å; F58-F63 HydrophobicContact CD2-CE2 3.54Å; F58-F63 HydrophobicContact CD2-CG 4.35Å; F58-F63 HydrophobicContact CD2-CZ 4.5Å; F58-F63 AromaticContact CE2-CD2 3.96Å; F58-F63 HydrophobicContact CE2-CD2 3.96Å; F58-F63 HydrophobicContact CE2-CE2 4.43Å; F58-F63 HydrophobicContact CG-CD2 4.26Å; F58-F63 AromaticContact CG-CE2 3.94Å; F58-F63 HydrophobicContact CG-CE2 3.94Å; S59-F63 WeakPolarHBondContact O-CD2 3.41Å; L60-F63 PolarHBondContact O-N 3.23Å; L60-F63 VanDerWaalsContact O-N 3.11Å; A61-F63 VanDerWaalsContact C-N 3.26Å; A61-F63 PolarHBondContact O-N 2.77Å; F63-D275 HydrophobicContact CE2-CB 4.16Å; F63-D275 HydrophobicContact CZ-CB 3.83Å
64F95.7Very high93.3Very high11 Ų1148.8 Ų48.85%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-120.2131.7-165.7-52.1-63.6000113K6 F7 F16 F58 L60 F67 M103K6-F64 CarbonylContact O-C 3.56Å; K6-F64 WeakPolarHBondContact O-CA 3.4Å; K6-F64 WeakPolarHBondContact O-CB 3.4Å; F7-F64 HydrophobicContact CD1-CD1 4.12Å; F7-F64 AromaticContact CD1-CE1 3.91Å; F7-F64 HydrophobicContact CD1-CE1 3.91Å; F7-F64 HydrophobicContact CD2-CD1 4.44Å; F7-F64 HydrophobicContact CD2-CE1 4.19Å; F7-F64 HydrophobicContact CE1-CD1 4.22Å; F7-F64 AromaticContact CE1-CE1 3.55Å; F7-F64 HydrophobicContact CE1-CE1 3.55Å; F7-F64 HydrophobicContact CE1-CZ 4.26Å; F7-F64 AromaticContact CE2-CE1 3.88Å; F7-F64 HydrophobicContact CE2-CE1 3.88Å; F7-F64 HydrophobicContact CG-CD1 4.24Å; F7-F64 HydrophobicContact CG-CE1 4.23Å; F7-F64 HydrophobicContact CZ-CD1 4.46Å; F7-F64 AromaticContact CZ-CE1 3.55Å; F7-F64 HydrophobicContact CZ-CE1 3.55Å; F7-F64 HydrophobicContact CZ-CZ 4.27Å; F16-F64 HydrophobicContact CE2-CZ 4.43Å; F58-F64 AromaticContact CE2-CE2 3.91Å; F58-F64 HydrophobicContact CE2-CE2 3.91Å; F58-F64 HydrophobicContact CZ-CE2 4.47Å; L60-F64 HydrophobicContact CB-CD2 4.46Å; L60-F64 HydrophobicContact CD2-CD2 4.01Å; L60-F64 HydrophobicContact CD2-CE2 4.04Å; L60-F64 PolarHBondContact O-N 3.32Å; F64-F67 AromaticContact CD2-CD2 3.86Å; F64-F67 HydrophobicContact CD2-CD2 3.86Å; F64-F67 HydrophobicContact CD2-CE2 4.42Å; F64-F67 HydrophobicContact CE2-CD2 4.26Å; F64-F67 HydrophobicContact CE2-CE2 4.41Å; F64-F67 HydrophobicContact CG-CD2 4.43Å; F64-M103 HydrophobicContact CE1-CE 3.97Å; F64-M103 HydrophobicContact CZ-CE 3.65Å
65S95.7Very high93Very high65 Ų6556.9 Ų56.946%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-83.1-25.9171.864.60000112K6 C8K6-S65 PolarHBondContact O-N 3.24Å; K6-S65 PolarHBondContact O-OG 3.15Å; C8-S65 PolarHBondContact SG-N 2.91Å
66E95.7Very high92.6Very high78 Ų7859.5 Ų59.536%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-135.4133.3176.6-60.9168.7-144.900107.9S5 K6S5-E66 CarbonylContact C-O 3.59Å; S5-E66 WeakPolarHBondContact CA-O 3.37Å; S5-E66 WeakPolarHBondContact CB-O 3.36Å; K6-E66 HydrophobicContact CB-CB 4.02Å; K6-E66 HydrophobicContact CB-CG 4.41Å; K6-E66 HydrophobicContact CD-CG 4.46Å; K6-E66 VanDerWaalsContact CD-OE1 3.32Å; K6-E66 WeakPolarHBondContact CD-OE1 3.31Å; K6-E66 PolarHBondContact N-O 3.11Å; K6-E66 IonicContact NZ-OE1 3.44Å
67F95.9Very high92.5Very high43 Ų4361.7 Ų61.719%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-142.1120.6175.7-173.1-81.4000108.6F3 I34 C35 F39 L60 F64 M69F3-F67 HydrophobicContact CD2-CZ 4.48Å; F3-F67 HydrophobicContact CE2-CD2 4.02Å; F3-F67 HydrophobicContact CE2-CE1 4.42Å; F3-F67 AromaticContact CE2-CE2 3.53Å; F3-F67 HydrophobicContact CE2-CE2 3.53Å; F3-F67 AromaticContact CE2-CZ 3.78Å; F3-F67 HydrophobicContact CE2-CZ 3.78Å; F3-F67 HydrophobicContact CZ-CE2 4.12Å; I34-F67 HydrophobicContact CG2-CE1 4.29Å; I34-F67 HydrophobicContact CG2-CZ 3.68Å; C35-F67 WeakPolarHBondContact O-CE1 3.32Å; F39-F67 HydrophobicContact CB-CE2 4.32Å; F39-F67 HydrophobicContact CB-CZ 4.49Å; F39-F67 HydrophobicContact CD2-CE2 4.13Å; F39-F67 HydrophobicContact CD2-CZ 4.48Å; L60-F67 HydrophobicContact CD1-CD1 3.88Å; L60-F67 HydrophobicContact CD1-CD2 3.95Å; L60-F67 HydrophobicContact CD1-CE1 3.86Å; L60-F67 HydrophobicContact CD1-CE2 3.88Å; L60-F67 HydrophobicContact CD1-CG 3.92Å; L60-F67 HydrophobicContact CD1-CZ 3.82Å; L60-F67 HydrophobicContact CD2-CD2 3.92Å; L60-F67 HydrophobicContact CD2-CE2 3.57Å; L60-F67 HydrophobicContact CD2-CZ 4.12Å; L60-F67 HydrophobicContact CG-CD2 4.46Å; L60-F67 HydrophobicContact CG-CE2 4.37Å; F64-F67 AromaticContact CD2-CD2 3.86Å; F64-F67 HydrophobicContact CD2-CD2 3.86Å; F64-F67 HydrophobicContact CD2-CE2 4.42Å; F64-F67 HydrophobicContact CE2-CD2 4.26Å; F64-F67 HydrophobicContact CE2-CE2 4.41Å; F64-F67 HydrophobicContact CG-CD2 4.43Å; F67-M69 HydrophobicContact CE1-CG 4.13Å
68R95.5Very high92.6Very high178 Ų17862 Ų6267%0.67234%0.337SS*.EExtended strand (participates in β ladder)trans-138.4136.4-178.8-62.5-176.3-171.8166.53.7109.7F3 S4F3-R68 WeakPolarHBondContact CA-O 3.47Å; S4-R68 PolarHBondContact N-O 3.05Å; S4-R68 PolarHBondContact O-N 2.88Å
69M95Very high92.8Very high14 Ų1461.2 Ų61.27%0.06933%0.333CS..EExtended strand (participates in β ladder)trans-146.2143.8176.262.989.974.300110K2 F3 I34 C35 K36 F67 D77 I79K2-M69 CarbonylContact O-C 3.41Å; K2-M69 VanDerWaalsContact O-CA 3.24Å; K2-M69 WeakPolarHBondContact O-CA 3.38Å; F3-M69 HydrophobicContact CD2-CB 4.25Å; I34-M69 HydrophobicContact CG2-CB 4.26Å; I34-M69 HydrophobicContact CG2-CE 4.24Å; I34-M69 HydrophobicContact CG2-CG 4.45Å; I34-M69 WeakPolarHBondContact O-CE 3.42Å; C35-M69 VanDerWaalsContact CA-CE 3.48Å; K36-M69 HydrophobicContact CG-CG 4.32Å; K36-M69 HydrophobicContact CG-SD 3.74Å; F67-M69 HydrophobicContact CE1-CG 4.13Å; M69-D77 WeakPolarHBondContact CE-O 3.48Å; M69-I79 HydrophobicContact CE-CG1 4.42Å
70D94.2Very high93.1Very high90 Ų9058.6 Ų58.648%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-121.9118.4165.7-59.6-39.6000105.8M1 K2M1-D70 CarbonylContact C-O 3.53Å; M1-D70 WeakPolarHBondContact CA-O 3.07Å; M1-D70 PolarHBondContact N-O 2.85Å; K2-D70 HydrophobicContact CB-CB 4.24Å; K2-D70 PolarHBondContact N-O 2.82Å; K2-D70 PolarHBondContact O-N 2.98Å
71G92.6Very high93.3Very high6 Ų657.6 Ų57.66%0.06231%0.309CS..  trans-71.3-153.4-175.300000114.9M1 D77M1-G71 WeakPolarHBondContact CA-O 3.45Å; M1-G71 VanDerWaalsContact CG-O 3.26Å; M1-G71 WeakPolarHBondContact CG-O 3.32Å; M1-G71 PolarHBondContact N-O 2.82Å; G71-D77 WeakPolarHBondContact CA-OD1 3.5Å; G71-D77 PolarHBondContact N-OD1 2.91Å
72W89Confident93.5Very high111 Ų11153.7 Ų53.742%0.4228%0.277SS..SBendtrans-70.8-49.7-179.9-172.5-88.9000111.7M1 N76 E78 P139 P140 W143M1-W72 HydrophobicContact CE-CE3 3.54Å; M1-W72 HydrophobicContact CE-CH2 4.4Å; M1-W72 HydrophobicContact CE-CZ3 3.37Å; M1-W72 HydrophobicContact CG-CE3 4.23Å; M1-W72 HydrophobicContact SD-CD2 4.43Å; M1-W72 HydrophobicContact SD-CE3 3.4Å; M1-W72 HydrophobicContact SD-CZ3 3.86Å; W72-N76 HydrophobicContact CB-CB 4.35Å; W72-N76 WeakPolarHBondContact CB-O 3.44Å; W72-N76 PolarHBondContact N-O 2.77Å; W72-E78 PolarHBondContact N-O 2.98Å; W72-P139 HydrophobicContact CH2-CB 4.05Å; W72-P139 HydrophobicContact CZ3-CB 4.37Å; W72-P140 HydrophobicContact CB-CG 4.19Å; W72-P140 VanDerWaalsContact CD2-CD 3.48Å; W72-P140 HydrophobicContact CD2-CG 3.81Å; W72-P140 HydrophobicContact CE3-CG 4.45Å; W72-P140 HydrophobicContact CG-CG 3.62Å; W72-W143 HydrophobicContact CB-CH2 4.21Å; W72-W143 HydrophobicContact CB-CZ2 4.15Å
73N90.1Very high93.7Very high69 Ų6952.3 Ų52.337%0.36927%0.267SS..SBendtrans-155.1-176.7173.963.616.5000109.8E75 N76 D77N73-E75 VanDerWaalsContact C-N 3.25Å; N73-E75 PolarHBondContact O-N 2.82Å; N73-E75 PolarHBondContact OD1-N 2.87Å; N73-N76 PolarHBondContact N-O 2.83Å; N73-N76 CarbonylContact O-C 3.23Å; N73-N76 VanDerWaalsContact O-C 3.23Å; N73-N76 PolarHBondContact O-N 3.44Å; N73-N76 WeakPolarHBondContact OD1-CB 3.31Å; N73-N76 PolarHBondContact OD1-N 2.77Å; N73-N76 PolarHBondContact OD1-ND2 3.15Å; N73-D77 PolarHBondContact O-N 2.68Å
74A88Confident93.9Very high103 Ų10353.6 Ų53.685%0.85128%0.276SS*.SBendtrans-63.6-28.1-177.900000114
75E88.9Confident93.9Very high173 Ų17353.1 Ų53.181%0.80827%0.274SS*.SBendtrans-83.1-35.5178.7-64.4174.1175.300112N73N73-E75 VanDerWaalsContact C-N 3.25Å; N73-E75 PolarHBondContact O-N 2.82Å; N73-E75 PolarHBondContact OD1-N 2.87Å
76N88.1Confident93.9Very high57 Ų5753.4 Ų53.431%0.30527%0.27SS..  trans-117.368.6-177.5-63.2-67.8000109.1W72 N73 E78 W143W72-N76 HydrophobicContact CB-CB 4.35Å; W72-N76 WeakPolarHBondContact CB-O 3.44Å; W72-N76 PolarHBondContact N-O 2.77Å; N73-N76 PolarHBondContact N-O 2.83Å; N73-N76 CarbonylContact O-C 3.23Å; N73-N76 VanDerWaalsContact O-C 3.23Å; N73-N76 PolarHBondContact O-N 3.44Å; N73-N76 WeakPolarHBondContact OD1-CB 3.31Å; N73-N76 PolarHBondContact OD1-N 2.77Å; N73-N76 PolarHBondContact OD1-ND2 3.15Å; N76-E78 PolarHBondContact O-N 3.16Å; N76-W143 HydrophobicContact CB-CH2 3.67Å; N76-W143 HydrophobicContact CB-CZ3 3.75Å
77D93.7Very high93.8Very high45 Ų4554 Ų5424%0.24127%0.273CS..  trans-8249.2-176.9-159.918.9000112K36 M69 G71 N73K36-D77 WeakPolarHBondContact CE-OD2 3.27Å; K36-D77 IonicContact NZ-OD2 2.85Å; K36-D77 PolarHBondContact NZ-OD2 2.89Å; M69-D77 WeakPolarHBondContact CE-O 3.48Å; G71-D77 WeakPolarHBondContact CA-OD1 3.5Å; G71-D77 PolarHBondContact N-OD1 2.91Å; N73-D77 PolarHBondContact O-N 2.68Å
78E95.2Very high93.8Very high44 Ų4452 Ų5221%0.20627%0.265CS..  trans-132.2158.5-179.8-57.6-170.6-176.500110.5R33 I34 W72 N76 Y80 W143R33-E78 IonicContact CZ-OE1 3.88Å; R33-E78 IonicContact CZ-OE2 2.75Å; R33-E78 IonicContact NE-OE1 2.73Å; R33-E78 IonicContact NE-OE2 2.75Å; R33-E78 PolarHBondContact NE-OE2 3.3Å; R33-E78 VanDerWaalsContact NH2-CD 3.3Å; R33-E78 IonicContact NH2-OE1 2.67Å; R33-E78 PolarHBondContact NH2-OE1 3.39Å; R33-E78 IonicContact NH2-OE2 3.75Å; R33-E78 PolarHBondContact NH2-OE2 2.91Å; I34-E78 WeakPolarHBondContact O-CA 3.29Å; W72-E78 PolarHBondContact N-O 2.98Å; N76-E78 PolarHBondContact O-N 3.16Å; E78-Y80 HydrophobicContact CB-CD2 4.39Å; E78-Y80 HydrophobicContact CB-CE2 3.93Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.41Å; E78-Y80 PolarHBondContact OE2-OH 2.82Å; E78-W143 HydrophobicContact CB-CH2 3.84Å; E78-W143 HydrophobicContact CB-CZ3 3.96Å; E78-W143 WeakPolarHBondContact O-CH2 3.41Å
79I96.1Very high93.7Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-127.5123.6172-54.7172.6000108.4M1 F3 I34 M69 L81 L105M1-I79 HydrophobicContact CG-CG1 4.48Å; F3-I79 HydrophobicContact CB-CD1 4.05Å; I34-I79 HydrophobicContact CB-CB 4.21Å; I34-I79 PolarHBondContact N-O 3.38Å; I34-I79 PolarHBondContact O-N 3.08Å; M69-I79 HydrophobicContact CE-CG1 4.42Å; I79-L81 HydrophobicContact CG2-CD2 4.36Å; I79-L105 HydrophobicContact CD1-CD2 4.5Å; I79-L105 HydrophobicContact CG2-CD2 4.32Å
80Y96.8Very high93.6Very high1 Ų148.3 Ų48.30%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-108.4131.8170.7-71-113.9000109.4V32 R33 E78 W138 W143 F148V32-Y80 WeakPolarHBondContact O-CA 3.23Å; R33-Y80 HydrophobicContact CB-CE1 4.24Å; R33-Y80 VanDerWaalsContact CD-OH 3.31Å; R33-Y80 WeakPolarHBondContact CD-OH 3.27Å; R33-Y80 HydrophobicContact CG-CE1 4.11Å; R33-Y80 HydrophobicContact CG-CE2 4.07Å; R33-Y80 PolarHBondContact NE-OH 2.93Å; E78-Y80 HydrophobicContact CB-CD2 4.39Å; E78-Y80 HydrophobicContact CB-CE2 3.93Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.41Å; E78-Y80 PolarHBondContact OE2-OH 2.82Å; Y80-W138 PolarHBondContact O-N 2.68Å; Y80-W143 HydrophobicContact CD1-CB 4.29Å; Y80-W143 HydrophobicContact CD1-CG 4.27Å; Y80-W143 HydrophobicContact CD2-CB 4.25Å; Y80-W143 AromaticContact CD2-CD1 3.72Å; Y80-W143 AromaticContact CD2-CD2 3.31Å; Y80-W143 HydrophobicContact CD2-CD2 3.31Å; Y80-W143 AromaticContact CD2-CE2 3.41Å; Y80-W143 VanDerWaalsContact CD2-CE2 3.41Å; Y80-W143 AromaticContact CD2-CE3 3.82Å; Y80-W143 HydrophobicContact CD2-CE3 3.82Å; Y80-W143 AromaticContact CD2-CG 3.53Å; Y80-W143 HydrophobicContact CD2-CG 3.53Å; Y80-W143 HydrophobicContact CD2-CH2 4.35Å; Y80-W143 AromaticContact CD2-CZ2 3.95Å; Y80-W143 HydrophobicContact CD2-CZ2 3.95Å; Y80-W143 HydrophobicContact CD2-CZ3 4.31Å; Y80-W143 AromaticContact CD2-NE1 3.66Å; Y80-W143 HydrophobicContact CE1-CB 4.29Å; Y80-W143 HydrophobicContact CE2-CB 4.26Å; Y80-W143 AromaticContact CE2-CD2 3.52Å; Y80-W143 HydrophobicContact CE2-CD2 3.52Å; Y80-W143 AromaticContact CE2-CE3 3.54Å; Y80-W143 HydrophobicContact CE2-CE3 3.54Å; Y80-W143 AromaticContact CE2-CG 3.88Å; Y80-W143 HydrophobicContact CE2-CG 3.88Å; Y80-W143 HydrophobicContact CE2-CH2 4.46Å; Y80-W143 HydrophobicContact CE2-CZ2 4.48Å; Y80-W143 HydrophobicContact CE2-CZ3 4.03Å; Y80-W143 HydrophobicContact CG-CB 4.28Å; Y80-W143 AromaticContact CG-CD1 3.67Å; Y80-W143 HydrophobicContact CG-CD2 4.05Å; Y80-W143 AromaticContact CG-CG 3.76Å; Y80-W143 HydrophobicContact CG-CG 3.76Å; Y80-W143 AromaticContact CG-NE1 3.91Å; Y80-F148 AromaticContact CD1-CE2 3.91Å; Y80-F148 HydrophobicContact CD1-CE2 3.91Å; Y80-F148 HydrophobicContact CE1-CD2 4Å; Y80-F148 AromaticContact CE1-CE2 3.56Å; Y80-F148 HydrophobicContact CE1-CE2 3.56Å; Y80-F148 HydrophobicContact CE1-CZ 4.47Å
81L96.5Very high93.5Very high1 Ų144.5 Ų44.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-146.3159.3175.261.284.5000111.9E31 V32 I34 I79 L83 L105 V135 T136 V137E31-L81 CarbonylContact C-O 3.41Å; E31-L81 WeakPolarHBondContact CA-O 3.34Å; V32-L81 HydrophobicContact CB-CD1 3.59Å; V32-L81 HydrophobicContact CB-CG 3.98Å; V32-L81 HydrophobicContact CG1-CD1 4.34Å; V32-L81 HydrophobicContact CG2-CD1 3.6Å; V32-L81 PolarHBondContact N-O 3.08Å; V32-L81 PolarHBondContact O-N 3.2Å; I34-L81 HydrophobicContact CD1-CD2 4.18Å; I79-L81 HydrophobicContact CG2-CD2 4.36Å; L81-L83 HydrophobicContact CD1-CB 4.31Å; L81-L83 HydrophobicContact CD1-CD2 3.83Å; L81-L83 HydrophobicContact CD1-CG 4.25Å; L81-L105 HydrophobicContact CD2-CD1 4.24Å; L81-V135 HydrophobicContact CD1-CB 4.31Å; L81-V135 HydrophobicContact CD1-CG1 4.27Å; L81-T136 CarbonylContact C-O 3.58Å; L81-T136 WeakPolarHBondContact CA-O 3.37Å; L81-T136 WeakPolarHBondContact CB-O 3.34Å; L81-V137 HydrophobicContact CB-CG2 4.28Å
82A96.8Very high93.4Very high1 Ų144.4 Ų44.41%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-109.414116900000111E29 C30 V135 T136 W138E29-A82 HydrophobicContact CG-CB 4.37Å; E29-A82 WeakPolarHBondContact OE1-CB 3.34Å; C30-A82 VanDerWaalsContact O-CA 3.3Å; C30-A82 WeakPolarHBondContact O-CA 3.49Å; A82-V135 WeakPolarHBondContact O-CA 3.42Å; A82-V135 WeakPolarHBondContact O-CB 3.17Å; A82-T136 PolarHBondContact N-O 3.21Å; A82-T136 PolarHBondContact O-N 2.55Å; A82-W138 HydrophobicContact CB-CH2 4.23Å; A82-W138 HydrophobicContact CB-CZ2 3.62Å
83L95.9Very high93.1Very high8 Ų846.6 Ų46.64%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-146.4165.7175.167.777.5000111.8E29 C30 V32 L81 P85 V88 L113 V135E29-L83 WeakPolarHBondContact CA-O 3.41Å; C30-L83 PolarHBondContact N-O 3.06Å; C30-L83 PolarHBondContact O-N 2.78Å; C30-L83 WeakPolarHBondContact SG-CD1 3.48Å; V32-L83 HydrophobicContact CG2-CD2 3.79Å; V32-L83 HydrophobicContact CG2-CG 3.87Å; L81-L83 HydrophobicContact CD1-CB 4.31Å; L81-L83 HydrophobicContact CD1-CD2 3.83Å; L81-L83 HydrophobicContact CD1-CG 4.25Å; L83-P85 WeakPolarHBondContact O-CD 3.32Å; L83-V88 HydrophobicContact CD1-CG2 3.73Å; L83-V88 HydrophobicContact CD2-CG2 4.23Å; L83-L113 HydrophobicContact CD2-CD2 3.78Å; L83-V135 HydrophobicContact CB-CG1 3.8Å; L83-V135 HydrophobicContact CD2-CG1 4.46Å
84S96.1Very high92.2Very high28 Ų2847.9 Ų47.920%0.19625%0.252CS..  trans-92.5114.5169.2-177.10000110.2K28 D86 Q87 V88K28-S84 PolarHBondContact O-OG 3.22Å; K28-S84 VanDerWaalsContact O-OG 3.13Å; S84-D86 PolarHBondContact O-N 2.73Å; S84-Q87 PolarHBondContact O-N 3.11Å; S84-Q87 VanDerWaalsContact O-N 3.16Å; S84-V88 PolarHBondContact O-N 2.9Å
85P96.1Very high91.9Very high0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-62.2-29179.824.5-33.9000112.1L20 V23 C27 L83 V88 F89L20-P85 HydrophobicContact CD2-CB 4.25Å; V23-P85 HydrophobicContact CB-CB 4.43Å; V23-P85 HydrophobicContact CG1-CB 3.97Å; V23-P85 HydrophobicContact CG1-CG 4.1Å; C27-P85 WeakPolarHBondContact O-CG 3.4Å; L83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-V88 PolarHBondContact O-N 2.92Å; P85-F89 WeakPolarHBondContact O-CB 3.17Å; P85-F89 PolarHBondContact O-N 2.97Å
86D95.2Very high91.1Very high72 Ų7240.4 Ų40.439%0.38520%0.203SC..Hα-helixtrans-64.8-44.3175.2-17565.1000111.8S84 V88 F89 Q90S84-D86 PolarHBondContact O-N 2.73Å; D86-V88 VanDerWaalsContact C-N 3.28Å; D86-V88 PolarHBondContact O-N 3.48Å; D86-F89 WeakPolarHBondContact O-CB 3.36Å; D86-F89 PolarHBondContact O-N 3.42Å; D86-Q90 VanDerWaalsContact O-CG 3.32Å; D86-Q90 WeakPolarHBondContact O-CG 3.34Å; D86-Q90 PolarHBondContact O-N 3.38Å; D86-Q90 PolarHBondContact OD1-NE2 2.8Å
87Q95.3Very high90.7Very high90 Ų9043.4 Ų43.442%0.42122%0.219SC..Hα-helixtrans-60.5-40.2177.6-67.2-175.918.500111.7S84 A91 I133S84-Q87 PolarHBondContact O-N 3.11Å; S84-Q87 VanDerWaalsContact O-N 3.16Å; Q87-A91 PolarHBondContact O-N 2.78Å; Q87-A91 VanDerWaalsContact O-N 3.1Å; Q87-I133 HydrophobicContact CB-CG2 3.89Å
88V94.8Very high90.3Very high2 Ų241.8 Ų41.81%0.01221%0.211CC..Hα-helixtrans-67.2-44.7175.8-1690000111.1L20 L83 S84 P85 D86 Q90 A91 L92 F115 I133L20-V88 HydrophobicContact CD1-CB 3.76Å; L20-V88 HydrophobicContact CD1-CG1 3.32Å; L83-V88 HydrophobicContact CD1-CG2 3.73Å; L83-V88 HydrophobicContact CD2-CG2 4.23Å; S84-V88 PolarHBondContact O-N 2.9Å; P85-V88 PolarHBondContact O-N 2.92Å; D86-V88 VanDerWaalsContact C-N 3.28Å; D86-V88 PolarHBondContact O-N 3.48Å; V88-Q90 PolarHBondContact O-N 3.23Å; V88-A91 PolarHBondContact O-N 2.79Å; V88-L92 HydrophobicContact CG1-CD1 4.03Å; V88-L92 HydrophobicContact CG1-CG 4.48Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 2.92Å; V88-L92 VanDerWaalsContact O-N 3.11Å; V88-F115 HydrophobicContact CG1-CE1 4.28Å; V88-F115 HydrophobicContact CG1-CE2 3.9Å; V88-F115 HydrophobicContact CG1-CZ 3.45Å; V88-F115 VanDerWaalsContact CG1-CZ 3.45Å; V88-I133 VanDerWaalsContact CA-CD1 3.41Å; V88-I133 HydrophobicContact CB-CD1 3.98Å; V88-I133 HydrophobicContact CG1-CD1 4.21Å; V88-I133 HydrophobicContact CG2-CD1 3.75Å; V88-I133 HydrophobicContact CG2-CG2 4.17Å
89F94.2Very high90Very high36 Ų3645.7 Ų45.716%0.15823%0.227CC..Hα-helixtrans-56.6-48.3174.9170.6-116.9000111.8S17 L20 P85 D86 A91 L92 R93S17-F89 WeakPolarHBondContact O-CD2 3.5Å; S17-F89 VanDerWaalsContact OG-CD2 3.32Å; S17-F89 WeakPolarHBondContact OG-CD2 3.37Å; S17-F89 WeakPolarHBondContact OG-CE2 3.37Å; L20-F89 HydrophobicContact CB-CB 4.08Å; P85-F89 WeakPolarHBondContact O-CB 3.17Å; P85-F89 PolarHBondContact O-N 2.97Å; D86-F89 WeakPolarHBondContact O-CB 3.36Å; D86-F89 PolarHBondContact O-N 3.42Å; F89-A91 VanDerWaalsContact C-N 3.33Å; F89-A91 PolarHBondContact O-N 3.13Å; F89-L92 PolarHBondContact O-N 2.83Å; F89-L92 VanDerWaalsContact O-N 3.12Å; F89-R93 HydrophobicContact CZ-CG 4.26Å; F89-R93 WeakPolarHBondContact O-CB 3.41Å; F89-R93 PolarHBondContact O-N 3.21Å
90Q92.7Very high89.8Confident78 Ų7846.8 Ų46.836%0.36424%0.235SC..Hα-helixtrans-62.3-39179.5-65.3-55.4-23.300112.6D86 V88 L92D86-Q90 VanDerWaalsContact O-CG 3.32Å; D86-Q90 WeakPolarHBondContact O-CG 3.34Å; D86-Q90 PolarHBondContact O-N 3.38Å; D86-Q90 PolarHBondContact OD1-NE2 2.8Å; V88-Q90 PolarHBondContact O-N 3.23Å; Q90-L92 VanDerWaalsContact C-N 3.26Å; Q90-L92 PolarHBondContact O-N 2.88Å
91A91.2Very high89.7Confident10 Ų1046.9 Ų46.98%0.08324%0.236CC..Hα-helixtrans-65.3-29.7176.300000112.9Q87 V88 F89 H131 I133Q87-A91 PolarHBondContact O-N 2.78Å; Q87-A91 VanDerWaalsContact O-N 3.1Å; V88-A91 PolarHBondContact O-N 2.79Å; F89-A91 VanDerWaalsContact C-N 3.33Å; F89-A91 PolarHBondContact O-N 3.13Å; A91-H131 HydrophobicContact CB-CB 4.01Å; A91-I133 HydrophobicContact CB-CD1 3.77Å
92L90.3Very high89.7Confident3 Ų350.1 Ų50.12%0.01625%0.25CC..Hα-helixtrans-96-16.4-178-63-179.7000114.3V13 F16 L20 V88 F89 Q90 T94 L95 V101 F115V13-L92 HydrophobicContact CG1-CD2 4.41Å; F16-L92 HydrophobicContact CD1-CD1 3.59Å; F16-L92 HydrophobicContact CE1-CD1 4.01Å; L20-L92 HydrophobicContact CD1-CD1 4.03Å; V88-L92 HydrophobicContact CG1-CD1 4.03Å; V88-L92 HydrophobicContact CG1-CG 4.48Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 2.92Å; V88-L92 VanDerWaalsContact O-N 3.11Å; F89-L92 PolarHBondContact O-N 2.83Å; F89-L92 VanDerWaalsContact O-N 3.12Å; Q90-L92 VanDerWaalsContact C-N 3.26Å; Q90-L92 PolarHBondContact O-N 2.88Å; L92-T94 PolarHBondContact O-N 3.16Å; L92-L95 HydrophobicContact CB-CD1 4.47Å; L92-L95 HydrophobicContact CD2-CD1 3.53Å; L92-L95 WeakPolarHBondContact O-CG 3.48Å; L92-L95 PolarHBondContact O-N 3.28Å; L92-V101 HydrophobicContact CD2-CG1 4.35Å; L92-F115 HydrophobicContact CD1-CE1 4.09Å; L92-F115 HydrophobicContact CD2-CD1 3.65Å; L92-F115 HydrophobicContact CD2-CE1 3.87Å; L92-F115 HydrophobicContact CD2-CG 4.38Å; L92-F115 HydrophobicContact CG-CD1 4.49Å; L92-F115 HydrophobicContact CG-CE1 4.3Å
93R82.6Confident89.7Confident157 Ų15750.1 Ų50.159%0.59225%0.25SC*.THydrogen-bonded Turntrans-53.1-26.4-170-173.1175.367.4155.8-0.7115.1F89F89-R93 HydrophobicContact CZ-CG 4.26Å; F89-R93 WeakPolarHBondContact O-CB 3.41Å; F89-R93 PolarHBondContact O-N 3.21Å
94T72Confident89.7Confident96 Ų9652 Ų5259%0.58926%0.258SS*.THydrogen-bonded Turntrans-118.724.8-171.855.50000113.7L92L92-T94 PolarHBondContact O-N 3.16Å
95L81.1Confident89.8Confident6 Ų652 Ų523%0.03126%0.256CS..  trans-102.518.1-171.4-57.8-171.9000115.2V13 L92 L97 A98 V101 I117V13-L95 HydrophobicContact CG1-CB 4.01Å; L92-L95 HydrophobicContact CB-CD1 4.47Å; L92-L95 HydrophobicContact CD2-CD1 3.53Å; L92-L95 WeakPolarHBondContact O-CG 3.48Å; L92-L95 PolarHBondContact O-N 3.28Å; L95-L97 PolarHBondContact O-N 2.86Å; L95-L97 VanDerWaalsContact O-N 3.16Å; L95-A98 HydrophobicContact CB-CB 4.23Å; L95-A98 VanDerWaalsContact O-CB 3.28Å; L95-A98 WeakPolarHBondContact O-CB 3.46Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-V101 HydrophobicContact CD1-CG2 4.16Å; L95-I117 HydrophobicContact CD1-CD1 3.4Å; L95-I117 HydrophobicContact CD1-CG1 3.74Å; L95-I117 HydrophobicContact CD1-CG2 4.18Å; L95-I117 HydrophobicContact CD2-CD1 3.96Å; L95-I117 HydrophobicContact CD2-CG2 3.76Å; L95-I117 HydrophobicContact CG-CD1 4.31Å
96N72.8Confident89.8Confident113 Ų11354 Ų5460%0.60427%0.267SS*.THydrogen-bonded Turntrans-59.1-24.5174.862.9-19.2000113.4
97L78.7Confident89.8Confident121 Ų12158.6 Ų58.663%0.63428%0.284SS*.THydrogen-bonded Turntrans-92.71.2177-61.7176.5000113.5L95 K99 L119 P120L95-L97 PolarHBondContact O-N 2.86Å; L95-L97 VanDerWaalsContact O-N 3.16Å; L97-K99 PolarHBondContact O-N 3.04Å; L97-L119 HydrophobicContact CB-CD2 4.4Å; L97-P120 WeakPolarHBondContact O-CD 3.32Å; L97-P120 WeakPolarHBondContact O-CG 3.47Å
98A86.7Confident89.6Confident10 Ų1060.6 Ų60.68%0.08329%0.291CS..  trans-68.2129.5-177.800000111.7L95 S100 V101 I117 K118 L119L95-A98 HydrophobicContact CB-CB 4.23Å; L95-A98 VanDerWaalsContact O-CB 3.28Å; L95-A98 WeakPolarHBondContact O-CB 3.46Å; L95-A98 PolarHBondContact O-N 3.48Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-V101 HydrophobicContact CB-CG2 3.74Å; A98-I117 HydrophobicContact CB-CG2 3.87Å; A98-K118 CarbonylContact C-O 3.54Å; A98-K118 WeakPolarHBondContact CA-O 3.34Å; A98-L119 HydrophobicContact CB-CD2 4.16Å
99K87.7Confident89.5Confident126 Ų12665.2 Ų65.255%0.54832%0.324SS..SBendtrans-65.9-38.6169.1-72.8-174.6176-179.70111.4L97 K118 P120 D126L97-K99 PolarHBondContact O-N 3.04Å; K99-K118 HydrophobicContact CB-CB 4.42Å; K99-K118 PolarHBondContact N-O 3Å; K99-P120 HydrophobicContact CG-CB 4.44Å; K99-D126 WeakPolarHBondContact CE-OD1 3.47Å; K99-D126 IonicContact NZ-OD1 3.02Å; K99-D126 PolarHBondContact NZ-OD1 3.49Å; K99-D126 IonicContact NZ-OD2 3.69Å
100S92.1Very high89.6Confident24 Ų2467.2 Ų67.217%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-157.3143.2176.871.80000111.3A98 K118A98-S100 VanDerWaalsContact C-N 3.34Å; S100-K118 PolarHBondContact N-O 3.37Å; S100-K118 PolarHBondContact O-N 3.16Å
101V95Very high89.8Confident3 Ų365.2 Ų65.22%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-122.6128171.9-176.90000108.7F7 V13 L92 L95 A98 F115 I117F7-V101 HydrophobicContact CB-CB 4.42Å; F7-V101 HydrophobicContact CD2-CB 3.73Å; F7-V101 HydrophobicContact CD2-CG1 3.65Å; F7-V101 HydrophobicContact CE2-CB 4.43Å; F7-V101 HydrophobicContact CE2-CG1 3.85Å; F7-V101 HydrophobicContact CG-CB 4.37Å; F7-V101 PolarHBondContact N-O 3.13Å; V13-V101 HydrophobicContact CG1-CG2 4.37Å; V13-V101 HydrophobicContact CG2-CB 3.93Å; V13-V101 HydrophobicContact CG2-CG2 3.72Å; L92-V101 HydrophobicContact CD2-CG1 4.35Å; L95-V101 HydrophobicContact CD1-CG2 4.16Å; A98-V101 HydrophobicContact CB-CG2 3.74Å; V101-F115 HydrophobicContact CG1-CD1 4.17Å; V101-I117 HydrophobicContact CG1-CG1 4.13Å; V101-I117 HydrophobicContact CG2-CG1 4.28Å; V101-I117 HydrophobicContact CG2-CG2 4.34Å
102K95.9Very high90.1Very high68 Ų6866.8 Ų66.830%0.29633%0.333SS..EExtended strand (participates in β ladder)trans-115.9136.2171.5-64.6-176.4178.4-172.70109.4S5 K6 F115 E116S5-K102 CarbonylContact O-C 3.51Å; S5-K102 WeakPolarHBondContact O-CA 3.34Å; K6-K102 HydrophobicContact CB-CG 4.3Å; K6-K102 HydrophobicContact CG-CG 4.13Å; K102-F115 CarbonylContact O-C 3.55Å; K102-F115 VanDerWaalsContact O-CA 3.28Å; K102-F115 WeakPolarHBondContact O-CA 3.46Å; K102-E116 HydrophobicContact CB-CB 4.3Å; K102-E116 PolarHBondContact N-O 3.16Å; K102-E116 PolarHBondContact O-N 2.83Å
103M96.3Very high90.4Very high1 Ų166.8 Ų66.81%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-116.4122.6178175.8175.874.700108.8F3 S4 S5 F7 F16 F39 F64 L113 T114 F115F3-M103 HydrophobicContact CE1-CE 3.72Å; F3-M103 HydrophobicContact CE1-CG 4.05Å; F3-M103 HydrophobicContact CE1-SD 4.48Å; F3-M103 HydrophobicContact CZ-CE 3.61Å; S4-M103 CarbonylContact C-O 3.6Å; S4-M103 WeakPolarHBondContact CA-O 3.43Å; S5-M103 PolarHBondContact N-O 2.86Å; S5-M103 PolarHBondContact O-N 2.98Å; S5-M103 WeakPolarHBondContact OG-CE 3.24Å; S5-M103 PolarHBondContact OG-O 2.88Å; F7-M103 HydrophobicContact CE2-CB 4.19Å; F16-M103 HydrophobicContact CE1-SD 4.49Å; F39-M103 HydrophobicContact CE2-CE 3.84Å; F39-M103 HydrophobicContact CZ-CE 4.23Å; F64-M103 HydrophobicContact CE1-CE 3.97Å; F64-M103 HydrophobicContact CZ-CE 3.65Å; M103-L113 HydrophobicContact CG-CD1 3.58Å; M103-L113 HydrophobicContact CG-CD2 4.23Å; M103-L113 HydrophobicContact CG-CG 3.86Å; M103-L113 HydrophobicContact SD-CD1 4.1Å; M103-L113 HydrophobicContact SD-CD2 3.83Å; M103-L113 HydrophobicContact SD-CG 4.15Å; M103-T114 CarbonylContact C-O 3.53Å; M103-T114 WeakPolarHBondContact CA-O 3.32Å; M103-F115 HydrophobicContact CB-CD1 4.04Å; M103-F115 HydrophobicContact CB-CE1 3.8Å; M103-F115 HydrophobicContact CB-CZ 4.36Å; M103-F115 HydrophobicContact CG-CD1 4.25Å; M103-F115 HydrophobicContact CG-CE1 3.66Å; M103-F115 HydrophobicContact CG-CE2 4.35Å; M103-F115 HydrophobicContact CG-CZ 3.71Å; M103-F115 HydrophobicContact SD-CE1 3.53Å; M103-F115 VanDerWaalsContact SD-CE1 3.53Å; M103-F115 HydrophobicContact SD-CE2 4.45Å; M103-F115 HydrophobicContact SD-CZ 3.42Å; M103-F115 WeakPolarHBondContact SD-CZ 3.32Å
104K97.2Very high91.1Very high48 Ų4859.5 Ų59.521%0.20931%0.306CS..EExtended strand (participates in β ladder)trans-137.9147.5-175.2-55.7-177.8-165.51530111.8F3 T106 T114 E116F3-K104 CarbonylContact O-C 3.52Å; F3-K104 VanDerWaalsContact O-CA 3.25Å; F3-K104 WeakPolarHBondContact O-CA 3.28Å; K104-T106 HydrophobicContact CB-CG2 4.35Å; K104-T114 PolarHBondContact N-O 2.99Å; K104-T114 PolarHBondContact O-N 3.33Å; K104-E116 IonicContact NZ-OE1 2.63Å; K104-E116 PolarHBondContact NZ-OE1 3.12Å; K104-E116 IonicContact NZ-OE2 2.76Å; K104-E116 PolarHBondContact NZ-OE2 3.4Å
105L97.5Very high92.2Very high29 Ų2955 Ų5515%0.15228%0.278CS..EExtended strand (participates in β ladder)trans-82.7119.1167-173.768.1000108.9F3 I79 L81 Y112 V135 V137F3-L105 HydrophobicContact CB-CB 3.84Å; F3-L105 HydrophobicContact CD1-CB 4.36Å; F3-L105 PolarHBondContact O-N 3.48Å; I79-L105 HydrophobicContact CD1-CD2 4.5Å; I79-L105 HydrophobicContact CG2-CD2 4.32Å; L81-L105 HydrophobicContact CD2-CD1 4.24Å; L105-Y112 WeakPolarHBondContact CA-O 3.36Å; L105-V135 HydrophobicContact CD1-CG2 3.78Å; L105-V137 HydrophobicContact CD1-CG2 4.17Å; L105-V137 HydrophobicContact CD2-CG2 4.37Å
106T97.1Very high92.8Very high40 Ų4057.4 Ų57.425%0.24529%0.29CS..EExtended strand (participates in β ladder)trans-121.7161.8177.173.60000110.2K104 P111 Y112 T114K104-T106 HydrophobicContact CB-CG2 4.35Å; T106-P111 CarbonylContact O-C 3.56Å; T106-P111 WeakPolarHBondContact O-CA 3.28Å; T106-Y112 PolarHBondContact N-O 2.84Å; T106-Y112 PolarHBondContact O-N 3.43Å; T106-T114 HydrophobicContact CG2-CG2 4.4Å; T106-T114 WeakPolarHBondContact CG2-OG1 2.93Å; T106-T114 PolarHBondContact OG1-OG1 2.88Å
107K94.4Very high93.8Very high169 Ų16952 Ų5274%0.73526%0.261SS*.EExtended strand (participates in β ladder)trans-131.4118.6174.4-175-179.8178-1780108.6
108K91.7Very high94.5Very high132 Ų13250.8 Ų50.857%0.57425%0.25SS*.SBendtrans-104.6-110.9168.6-60.6178.6178.1-179.40107.3I110 Y112 D132K108-I110 PolarHBondContact N-O 3.19Å; K108-I110 VanDerWaalsContact N-O 3.09Å; K108-Y112 HydrophobicContact CB-CD2 4.39Å; K108-Y112 HydrophobicContact CB-CE2 4.07Å; K108-Y112 HydrophobicContact CD-CD2 4.48Å; K108-Y112 HydrophobicContact CD-CE2 4.37Å; K108-Y112 HydrophobicContact CG-CD2 4.42Å; K108-Y112 HydrophobicContact CG-CE2 4.45Å; K108-D132 IonicContact NZ-OD2 3.67Å; K108-D132 PolarHBondContact NZ-OD2 3.44Å
109S93.1Very high94.6Very high100 Ų10051.7 Ų51.770%0.69925%0.253SS*.SBendtrans-71.9-44.2165.251.10000111.6
110I95Very high94.5Very high78 Ų7848.8 Ų48.840%0.425%0.248SC..SBendtrans-121.4166.4174.263.5176000110.2K108 Y112 P134K108-I110 PolarHBondContact N-O 3.19Å; K108-I110 VanDerWaalsContact N-O 3.09Å; I110-Y112 HydrophobicContact CD1-CE1 4.13Å; I110-Y112 HydrophobicContact CD1-CE2 4.35Å; I110-Y112 HydrophobicContact CG1-CD2 4.22Å; I110-Y112 HydrophobicContact CG1-CE1 4.08Å; I110-Y112 HydrophobicContact CG1-CE2 3.44Å; I110-Y112 VanDerWaalsContact CG1-CE2 3.44Å; I110-Y112 WeakPolarHBondContact CG1-OH 3.42Å; I110-Y112 WeakPolarHBondContact O-CD2 3.48Å; I110-Y112 VanDerWaalsContact O-CE2 3.26Å; I110-Y112 WeakPolarHBondContact O-CE2 3.41Å; I110-P134 HydrophobicContact CD1-CB 3.95Å
111P96.8Very high94Very high35 Ų3550.4 Ų50.423%0.22726%0.259CS..EExtended strand (participates in β ladder)trans-68.8140.8172.2-17.732.8000111.8T106 V135 V137T106-P111 CarbonylContact O-C 3.56Å; T106-P111 WeakPolarHBondContact O-CA 3.28Å; P111-V135 HydrophobicContact CB-CG2 3.88Å; P111-V135 PolarHBondContact O-N 3.38Å; P111-V137 HydrophobicContact CB-CG2 3.77Å; P111-V137 HydrophobicContact CG-CG2 4.08Å
112Y97.5Very high93.1Very high43 Ų4359.4 Ų59.417%0.16931%0.306CS..EExtended strand (participates in β ladder)trans-131.8144.4176-65.6-87.6000110.9L105 T106 K108 I110 D132 I133 P134L105-Y112 WeakPolarHBondContact CA-O 3.36Å; T106-Y112 PolarHBondContact N-O 2.84Å; T106-Y112 PolarHBondContact O-N 3.43Å; K108-Y112 HydrophobicContact CB-CD2 4.39Å; K108-Y112 HydrophobicContact CB-CE2 4.07Å; K108-Y112 HydrophobicContact CD-CD2 4.48Å; K108-Y112 HydrophobicContact CD-CE2 4.37Å; K108-Y112 HydrophobicContact CG-CD2 4.42Å; K108-Y112 HydrophobicContact CG-CE2 4.45Å; I110-Y112 HydrophobicContact CD1-CE1 4.13Å; I110-Y112 HydrophobicContact CD1-CE2 4.35Å; I110-Y112 HydrophobicContact CG1-CD2 4.22Å; I110-Y112 HydrophobicContact CG1-CE1 4.08Å; I110-Y112 HydrophobicContact CG1-CE2 3.44Å; I110-Y112 VanDerWaalsContact CG1-CE2 3.44Å; I110-Y112 WeakPolarHBondContact CG1-OH 3.42Å; I110-Y112 WeakPolarHBondContact O-CD2 3.48Å; I110-Y112 VanDerWaalsContact O-CE2 3.26Å; I110-Y112 WeakPolarHBondContact O-CE2 3.41Å; Y112-D132 HydrophobicContact CD1-CB 3.63Å; Y112-D132 HydrophobicContact CE1-CB 4.14Å; Y112-D132 HydrophobicContact CG-CB 3.95Å; Y112-I133 CarbonylContact C-O 3.57Å; Y112-I133 VanDerWaalsContact CA-O 3.25Å; Y112-I133 WeakPolarHBondContact CA-O 3.36Å; Y112-P134 HydrophobicContact CD1-CB 4.24Å; Y112-P134 HydrophobicContact CE1-CB 4.07Å
113L97Very high92.2Very high3 Ų358.9 Ų58.92%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-87.1100.7157.4-168.864.9000107.5F3 L83 M103 F115 I133 V135F3-L113 HydrophobicContact CD1-CD1 4.15Å; F3-L113 HydrophobicContact CE1-CD1 4.01Å; L83-L113 HydrophobicContact CD2-CD2 3.78Å; M103-L113 HydrophobicContact CG-CD1 3.58Å; M103-L113 HydrophobicContact CG-CD2 4.23Å; M103-L113 HydrophobicContact CG-CG 3.86Å; M103-L113 HydrophobicContact SD-CD1 4.1Å; M103-L113 HydrophobicContact SD-CD2 3.83Å; M103-L113 HydrophobicContact SD-CG 4.15Å; L113-F115 HydrophobicContact CB-CE2 4.4Å; L113-F115 HydrophobicContact CD2-CE2 3.88Å; L113-F115 HydrophobicContact CD2-CZ 3.88Å; L113-F115 HydrophobicContact CG-CE2 3.77Å; L113-F115 HydrophobicContact CG-CZ 4.1Å; L113-I133 PolarHBondContact N-O 3.46Å; L113-I133 PolarHBondContact O-N 2.95Å; L113-V135 HydrophobicContact CB-CG1 3.72Å
114T96.8Very high91.2Very high5 Ų564.6 Ų64.63%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-91.6128.4-175.7-61.30000110.7M103 K104 T106 E116 T130 H131 D132M103-T114 CarbonylContact C-O 3.53Å; M103-T114 WeakPolarHBondContact CA-O 3.32Å; K104-T114 PolarHBondContact N-O 2.99Å; K104-T114 PolarHBondContact O-N 3.33Å; T106-T114 HydrophobicContact CG2-CG2 4.4Å; T106-T114 WeakPolarHBondContact CG2-OG1 2.93Å; T106-T114 PolarHBondContact OG1-OG1 2.88Å; T114-E116 HydrophobicContact CG2-CG 4.44Å; T114-T130 HydrophobicContact CG2-CG2 3.47Å; T114-T130 VanDerWaalsContact CG2-CG2 3.47Å; T114-H131 CarbonylContact C-O 3.57Å; T114-H131 WeakPolarHBondContact CA-O 3.27Å; T114-D132 WeakPolarHBondContact CB-OD1 3.45Å; T114-D132 WeakPolarHBondContact CG2-OD1 3.48Å; T114-D132 PolarHBondContact OG1-OD1 3.34Å
115F95.5Very high90.4Very high0 Ų066.2 Ų66.20%038%0.379CS..EExtended strand (participates in β ladder)trans-105110.4172.9-66.6-96.3000109.7F7 V88 L92 V101 K102 M103 L113 I117 T130 H131 I133F7-F115 HydrophobicContact CE2-CE1 4.37Å; V88-F115 HydrophobicContact CG1-CE1 4.28Å; V88-F115 HydrophobicContact CG1-CE2 3.9Å; V88-F115 HydrophobicContact CG1-CZ 3.45Å; V88-F115 VanDerWaalsContact CG1-CZ 3.45Å; L92-F115 HydrophobicContact CD1-CE1 4.09Å; L92-F115 HydrophobicContact CD2-CD1 3.65Å; L92-F115 HydrophobicContact CD2-CE1 3.87Å; L92-F115 HydrophobicContact CD2-CG 4.38Å; L92-F115 HydrophobicContact CG-CD1 4.49Å; L92-F115 HydrophobicContact CG-CE1 4.3Å; V101-F115 HydrophobicContact CG1-CD1 4.17Å; K102-F115 CarbonylContact O-C 3.55Å; K102-F115 VanDerWaalsContact O-CA 3.28Å; K102-F115 WeakPolarHBondContact O-CA 3.46Å; M103-F115 HydrophobicContact CB-CD1 4.04Å; M103-F115 HydrophobicContact CB-CE1 3.8Å; M103-F115 HydrophobicContact CB-CZ 4.36Å; M103-F115 HydrophobicContact CG-CD1 4.25Å; M103-F115 HydrophobicContact CG-CE1 3.66Å; M103-F115 HydrophobicContact CG-CE2 4.35Å; M103-F115 HydrophobicContact CG-CZ 3.71Å; M103-F115 HydrophobicContact SD-CE1 3.53Å; M103-F115 VanDerWaalsContact SD-CE1 3.53Å; M103-F115 HydrophobicContact SD-CE2 4.45Å; M103-F115 HydrophobicContact SD-CZ 3.42Å; M103-F115 WeakPolarHBondContact SD-CZ 3.32Å; L113-F115 HydrophobicContact CB-CE2 4.4Å; L113-F115 HydrophobicContact CD2-CE2 3.88Å; L113-F115 HydrophobicContact CD2-CZ 3.88Å; L113-F115 HydrophobicContact CG-CE2 3.77Å; L113-F115 HydrophobicContact CG-CZ 4.1Å; F115-I117 HydrophobicContact CB-CD1 4.22Å; F115-I117 HydrophobicContact CB-CG1 4.35Å; F115-T130 VanDerWaalsContact O-CA 3.28Å; F115-T130 WeakPolarHBondContact O-CA 3.24Å; F115-H131 HydrophobicContact CB-CB 4.31Å; F115-H131 PolarHBondContact N-O 3.4Å; F115-H131 PolarHBondContact O-N 3.43Å; F115-I133 HydrophobicContact CD2-CD1 3.87Å; F115-I133 HydrophobicContact CD2-CG1 4.27Å; F115-I133 HydrophobicContact CE2-CD1 3.61Å; F115-I133 HydrophobicContact CE2-CG1 4.28Å
116E94.9Very high89.8Confident58 Ų5868.4 Ų68.427%0.27139%0.391SS..EExtended strand (participates in β ladder)trans-93.5115171.4-69.8169.7-163.900109.1K102 K104 T114K102-E116 HydrophobicContact CB-CB 4.3Å; K102-E116 PolarHBondContact N-O 3.16Å; K102-E116 PolarHBondContact O-N 2.83Å; K104-E116 IonicContact NZ-OE1 2.63Å; K104-E116 PolarHBondContact NZ-OE1 3.12Å; K104-E116 IonicContact NZ-OE2 2.76Å; K104-E116 PolarHBondContact NZ-OE2 3.4Å; T114-E116 HydrophobicContact CG2-CG 4.44Å
117I93.5Very high89.3Confident0 Ų074.1 Ų74.10%041%0.408CS..EExtended strand (participates in β ladder)trans-119.7119.1-169.9-59.5153.6000108.2L95 A98 V101 F115 L119 L128 I129L95-I117 HydrophobicContact CD1-CD1 3.4Å; L95-I117 HydrophobicContact CD1-CG1 3.74Å; L95-I117 HydrophobicContact CD1-CG2 4.18Å; L95-I117 HydrophobicContact CD2-CD1 3.96Å; L95-I117 HydrophobicContact CD2-CG2 3.76Å; L95-I117 HydrophobicContact CG-CD1 4.31Å; A98-I117 HydrophobicContact CB-CG2 3.87Å; V101-I117 HydrophobicContact CG1-CG1 4.13Å; V101-I117 HydrophobicContact CG2-CG1 4.28Å; V101-I117 HydrophobicContact CG2-CG2 4.34Å; F115-I117 HydrophobicContact CB-CD1 4.22Å; F115-I117 HydrophobicContact CB-CG1 4.35Å; I117-L119 HydrophobicContact CG2-CD2 4.42Å; I117-L119 HydrophobicContact CG2-CG 4.14Å; I117-L128 CarbonylContact O-C 3.59Å; I117-L128 WeakPolarHBondContact O-CA 3.31Å; I117-I129 HydrophobicContact CB-CB 4.32Å; I117-I129 WeakPolarHBondContact CB-O 3.38Å; I117-I129 PolarHBondContact N-O 3Å; I117-I129 PolarHBondContact O-N 3.41Å
118K92Very high89.1Confident94 Ų9471 Ų7141%0.40940%0.399SS..EExtended strand (participates in β ladder)trans-95.6119.7172-64.4-171.6177.7-170.90109.3A98 K99 S100 L128A98-K118 CarbonylContact C-O 3.54Å; A98-K118 WeakPolarHBondContact CA-O 3.34Å; K99-K118 HydrophobicContact CB-CB 4.42Å; K99-K118 PolarHBondContact N-O 3Å; S100-K118 PolarHBondContact N-O 3.37Å; S100-K118 PolarHBondContact O-N 3.16Å; K118-L128 HydrophobicContact CG-CD1 3.86Å
119L88.7Confident89.1Confident29 Ų2966.6 Ų66.615%0.15238%0.381CS..EExtended strand (participates in β ladder)trans-105.4146.2175.1-70.3164.8000110.3L97 A98 I117 R127 I129L97-L119 HydrophobicContact CB-CD2 4.4Å; A98-L119 HydrophobicContact CB-CD2 4.16Å; I117-L119 HydrophobicContact CG2-CD2 4.42Å; I117-L119 HydrophobicContact CG2-CG 4.14Å; L119-R127 HydrophobicContact CB-CB 4.38Å; L119-R127 PolarHBondContact N-O 3.26Å; L119-R127 PolarHBondContact O-N 2.82Å; L119-R127 VanDerWaalsContact O-N 3.08Å; L119-I129 HydrophobicContact CD1-CD1 3.32Å; L119-I129 HydrophobicContact CD1-CG1 3.95Å
120P86Confident89.1Confident66 Ų6665 Ų6543%0.42937%0.368SS..  trans-61.8141.116728.4-31.8000109.2L97 K99L97-P120 WeakPolarHBondContact O-CD 3.32Å; L97-P120 WeakPolarHBondContact O-CG 3.47Å; K99-P120 HydrophobicContact CG-CB 4.44Å
121S81.3Confident89.1Confident57 Ų5764.7 Ų64.740%0.39936%0.364SS..  trans-118.4154.5171.1-172.90000108.9A123 S125S121-A123 CarbonylContact C-O 3.45Å; S121-A123 PolarHBondContact OG-N 2.97Å; S121-S125 WeakPolarHBondContact CB-O 3.36Å
122L77.7Confident89Confident192 Ų19265.4 Ų65.4100%1.00537%0.366SS*.SBendtrans-71.6-20.5168.1-67.8171.8000111.5
123A75.9Confident88.9Confident57 Ų5763.7 Ų63.747%0.47136%0.36SS..SBendtrans-80.3153.6167.200000110.1S121 S125S121-A123 CarbonylContact C-O 3.45Å; S121-A123 PolarHBondContact OG-N 2.97Å; A123-S125 PolarHBondContact O-N 3.24Å
124A75.1Confident88.9Confident122 Ų12266.2 Ų66.2100%1.00838%0.376SS*.SBendtrans-59.2-11.9-177.800000114.8
125S80.9Confident88.9Confident82 Ų8266.4 Ų66.457%0.57338%0.378SS*.SBendtrans-103.6133.7178.754.50000112.9S121 A123S121-S125 WeakPolarHBondContact CB-O 3.36Å; A123-S125 PolarHBondContact O-N 3.24Å
126D84.3Confident89Confident74 Ų7470.1 Ų70.140%0.39640%0.4SS..PPolyproline II helixtrans-62.8140.5174.4-71.5-16.8000111.6K99K99-D126 WeakPolarHBondContact CE-OD1 3.47Å; K99-D126 IonicContact NZ-OD1 3.02Å; K99-D126 PolarHBondContact NZ-OD1 3.49Å; K99-D126 IonicContact NZ-OD2 3.69Å
127R87.9Confident89Confident160 Ų16068.8 Ų68.860%0.60440%0.396SS*.EExtended strand (participates in β ladder)trans-84.9125.1171.3-178179.4178.7179.7-0.3109L119 I129L119-R127 HydrophobicContact CB-CB 4.38Å; L119-R127 PolarHBondContact N-O 3.26Å; L119-R127 PolarHBondContact O-N 2.82Å; L119-R127 VanDerWaalsContact O-N 3.08Å; R127-I129 HydrophobicContact CG-CG1 4.33Å
128L90.1Very high89.1Confident103 Ų10370.1 Ų70.154%0.53940%0.401SS..EExtended strand (participates in β ladder)trans-96.7125.8172.2-17072.4000109.8I117 K118I117-L128 CarbonylContact O-C 3.59Å; I117-L128 WeakPolarHBondContact O-CA 3.31Å; K118-L128 HydrophobicContact CG-CD1 3.86Å
129I91Very high89.2Confident40 Ų4067.2 Ų67.221%0.20539%0.392CS..EExtended strand (participates in β ladder)trans-114.8135.9170.6-60.7-171.5000107.8I117 L119 R127I117-I129 HydrophobicContact CB-CB 4.32Å; I117-I129 WeakPolarHBondContact CB-O 3.38Å; I117-I129 PolarHBondContact N-O 3Å; I117-I129 PolarHBondContact O-N 3.41Å; L119-I129 HydrophobicContact CD1-CD1 3.32Å; L119-I129 HydrophobicContact CD1-CG1 3.95Å; R127-I129 HydrophobicContact CG-CG1 4.33Å
130T93.2Very high89.4Confident68 Ų6867.7 Ų67.742%0.41740%0.397SS..EExtended strand (participates in β ladder)trans-120.5123176.4-56.10000109.3T114 F115T114-T130 HydrophobicContact CG2-CG2 3.47Å; T114-T130 VanDerWaalsContact CG2-CG2 3.47Å; F115-T130 VanDerWaalsContact O-CA 3.28Å; F115-T130 WeakPolarHBondContact O-CA 3.24Å
131H94.5Very high89.7Confident70 Ų7075 Ų7532%0.32442%0.415SS..EExtended strand (participates in β ladder)trans-108.1119.5168.9-70.1-63.3000109.7A91 T114 F115A91-H131 HydrophobicContact CB-CB 4.01Å; T114-H131 CarbonylContact C-O 3.57Å; T114-H131 WeakPolarHBondContact CA-O 3.27Å; F115-H131 HydrophobicContact CB-CB 4.31Å; F115-H131 PolarHBondContact N-O 3.4Å; F115-H131 PolarHBondContact O-N 3.43Å
132D95.5Very high90.3Very high51 Ų5177.2 Ų77.227%0.27342%0.422SS..EExtended strand (participates in β ladder)trans-101.1109.5175.3-69.8-42.1000109.7K108 Y112 T114K108-D132 IonicContact NZ-OD2 3.67Å; K108-D132 PolarHBondContact NZ-OD2 3.44Å; Y112-D132 HydrophobicContact CD1-CB 3.63Å; Y112-D132 HydrophobicContact CE1-CB 4.14Å; Y112-D132 HydrophobicContact CG-CB 3.95Å; T114-D132 WeakPolarHBondContact CB-OD1 3.45Å; T114-D132 WeakPolarHBondContact CG2-OD1 3.48Å; T114-D132 PolarHBondContact OG1-OD1 3.34Å
133I96Very high91.1Very high7 Ų769.9 Ų69.94%0.03638%0.381CS..EExtended strand (participates in β ladder)trans-101.3117.7-178.4-54.3-175.3000108.5Q87 V88 A91 Y112 L113 F115 V135Q87-I133 HydrophobicContact CB-CG2 3.89Å; V88-I133 VanDerWaalsContact CA-CD1 3.41Å; V88-I133 HydrophobicContact CB-CD1 3.98Å; V88-I133 HydrophobicContact CG1-CD1 4.21Å; V88-I133 HydrophobicContact CG2-CD1 3.75Å; V88-I133 HydrophobicContact CG2-CG2 4.17Å; A91-I133 HydrophobicContact CB-CD1 3.77Å; Y112-I133 CarbonylContact C-O 3.57Å; Y112-I133 VanDerWaalsContact CA-O 3.25Å; Y112-I133 WeakPolarHBondContact CA-O 3.36Å; L113-I133 PolarHBondContact N-O 3.46Å; L113-I133 PolarHBondContact O-N 2.95Å; F115-I133 HydrophobicContact CD2-CD1 3.87Å; F115-I133 HydrophobicContact CD2-CG1 4.27Å; F115-I133 HydrophobicContact CE2-CD1 3.61Å; F115-I133 HydrophobicContact CE2-CG1 4.28Å; I133-V135 PolarHBondContact O-N 3.33Å
134P96.6Very high91.9Very high56 Ų5669.8 Ų69.836%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-62.6135.9-176.326.1-34.3000110.7I110 Y112I110-P134 HydrophobicContact CD1-CB 3.95Å; Y112-P134 HydrophobicContact CD1-CB 4.24Å; Y112-P134 HydrophobicContact CE1-CB 4.07Å
135V97.2Very high92.7Very high9 Ų966.9 Ų66.96%0.05534%0.344CS..  trans-131.7151176.4-57.90000111L81 A82 L83 L105 P111 L113 I133 V137L81-V135 HydrophobicContact CD1-CB 4.31Å; L81-V135 HydrophobicContact CD1-CG1 4.27Å; A82-V135 WeakPolarHBondContact O-CA 3.42Å; A82-V135 WeakPolarHBondContact O-CB 3.17Å; L83-V135 HydrophobicContact CB-CG1 3.8Å; L83-V135 HydrophobicContact CD2-CG1 4.46Å; L105-V135 HydrophobicContact CD1-CG2 3.78Å; P111-V135 HydrophobicContact CB-CG2 3.88Å; P111-V135 PolarHBondContact O-N 3.38Å; L113-V135 HydrophobicContact CB-CG1 3.72Å; I133-V135 PolarHBondContact O-N 3.33Å; V135-V137 HydrophobicContact CG2-CG2 4.23Å
136T96.4Very high93.2Very high77 Ų7766.6 Ų66.647%0.47234%0.342SS..EExtended strand (participates in β ladder)trans-102.3109.8172.8-570000108.6L81 A82L81-T136 CarbonylContact C-O 3.58Å; L81-T136 WeakPolarHBondContact CA-O 3.37Å; L81-T136 WeakPolarHBondContact CB-O 3.34Å; A82-T136 PolarHBondContact N-O 3.21Å; A82-T136 PolarHBondContact O-N 2.55Å
137V96Very high93.6Very high31 Ų3164.1 Ų64.119%0.18833%0.332CS..EExtended strand (participates in β ladder)trans-86.5132.2176.7-178.20000109.7M1 L81 L105 P111 V135M1-V137 HydrophobicContact CE-CG1 3.73Å; M1-V137 HydrophobicContact SD-CG1 3.71Å; L81-V137 HydrophobicContact CB-CG2 4.28Å; L105-V137 HydrophobicContact CD1-CG2 4.17Å; L105-V137 HydrophobicContact CD2-CG2 4.37Å; P111-V137 HydrophobicContact CB-CG2 3.77Å; P111-V137 HydrophobicContact CG-CG2 4.08Å; V135-V137 HydrophobicContact CG2-CG2 4.23Å
138W94.7Very high93.9Very high28 Ų2856.8 Ų56.811%0.10630%0.304CS..PPolyproline II helixtrans-98.5135.1-176.5-63.4-27.7000113.1E31 Y80 A82 L142 W143E31-W138 HydrophobicContact CB-CH2 3.83Å; E31-W138 HydrophobicContact CB-CZ3 3.87Å; E31-W138 HydrophobicContact CG-CH2 3.51Å; E31-W138 HydrophobicContact CG-CZ3 3.94Å; E31-W138 VanDerWaalsContact OE1-CH2 3.24Å; E31-W138 WeakPolarHBondContact OE1-CH2 3.15Å; Y80-W138 PolarHBondContact O-N 2.68Å; A82-W138 HydrophobicContact CB-CH2 4.23Å; A82-W138 HydrophobicContact CB-CZ2 3.62Å; W138-L142 HydrophobicContact CB-CB 4.34Å; W138-W143 PolarHBondContact O-NE1 3.47Å
139P93.5Very high94Very high33 Ų3356.4 Ų56.421%0.21430%0.303CS..PPolyproline II helixtrans-69154.5168.430.8-34.6000110.9W72 R141 L142 W143W72-P139 HydrophobicContact CH2-CB 4.05Å; W72-P139 HydrophobicContact CZ3-CB 4.37Å; P139-R141 HydrophobicContact CB-CG 4.37Å; P139-R141 HydrophobicContact CG-CG 4.06Å; P139-R141 PolarHBondContact O-N 3.48Å; P139-L142 HydrophobicContact CG-CD1 4.05Å; P139-L142 HydrophobicContact CG-CG 4.1Å; P139-L142 PolarHBondContact O-N 2.78Å; P139-W143 VanDerWaalsContact O-CD1 3.24Å
140P93.3Very high93.8Very high39 Ų3958.4 Ų58.425%0.25331%0.314SS..G310 helixtrans-49.4-35.6-176.2-31.635.5000116W72 L142 W143W72-P140 HydrophobicContact CB-CG 4.19Å; W72-P140 VanDerWaalsContact CD2-CD 3.48Å; W72-P140 HydrophobicContact CD2-CG 3.81Å; W72-P140 HydrophobicContact CE3-CG 4.45Å; W72-P140 HydrophobicContact CG-CG 3.62Å; P140-L142 PolarHBondContact O-N 3.02Å; P140-L142 VanDerWaalsContact O-N 3.13Å; P140-W143 HydrophobicContact CB-CD2 4.21Å; P140-W143 HydrophobicContact CB-CE3 4.38Å; P140-W143 HydrophobicContact CB-CZ2 4.38Å; P140-W143 HydrophobicContact CG-CH2 4.23Å; P140-W143 HydrophobicContact CG-CZ2 3.9Å; P140-W143 WeakPolarHBondContact O-CB 3.44Å; P140-W143 PolarHBondContact O-N 2.92Å; P140-W143 VanDerWaalsContact O-N 3.08Å
141R93.5Very high93.6Very high218 Ų21856.9 Ų56.982%0.82330%0.302SS*.G310 helixtrans-62-18.6177.471.5-172.9179.5-165.7-0.3115.1P139P139-R141 HydrophobicContact CB-CG 4.37Å; P139-R141 HydrophobicContact CG-CG 4.06Å; P139-R141 PolarHBondContact O-N 3.48Å
142L93.8Very high93.4Very high104 Ų10459.2 Ų59.255%0.54533%0.326SS..G310 helixtrans-107.43.9179.1-61.7-175.7000112W138 P139 P140W138-L142 HydrophobicContact CB-CB 4.34Å; P139-L142 HydrophobicContact CG-CD1 4.05Å; P139-L142 HydrophobicContact CG-CG 4.1Å; P139-L142 PolarHBondContact O-N 2.78Å; P140-L142 PolarHBondContact O-N 3.02Å; P140-L142 VanDerWaalsContact O-N 3.13Å
143W94.1Very high93Very high38 Ų3859 Ų5914%0.14432%0.324CS..  trans-67.8138178.3-66.4-0.9000109.9W72 N76 E78 Y80 W138 P139 P140 P145W72-W143 HydrophobicContact CB-CH2 4.21Å; W72-W143 HydrophobicContact CB-CZ2 4.15Å; N76-W143 HydrophobicContact CB-CH2 3.67Å; N76-W143 HydrophobicContact CB-CZ3 3.75Å; E78-W143 HydrophobicContact CB-CH2 3.84Å; E78-W143 HydrophobicContact CB-CZ3 3.96Å; E78-W143 WeakPolarHBondContact O-CH2 3.41Å; Y80-W143 HydrophobicContact CD1-CB 4.29Å; Y80-W143 HydrophobicContact CD1-CG 4.27Å; Y80-W143 HydrophobicContact CD2-CB 4.25Å; Y80-W143 AromaticContact CD2-CD1 3.72Å; Y80-W143 AromaticContact CD2-CD2 3.31Å; Y80-W143 HydrophobicContact CD2-CD2 3.31Å; Y80-W143 AromaticContact CD2-CE2 3.41Å; Y80-W143 VanDerWaalsContact CD2-CE2 3.41Å; Y80-W143 AromaticContact CD2-CE3 3.82Å; Y80-W143 HydrophobicContact CD2-CE3 3.82Å; Y80-W143 AromaticContact CD2-CG 3.53Å; Y80-W143 HydrophobicContact CD2-CG 3.53Å; Y80-W143 HydrophobicContact CD2-CH2 4.35Å; Y80-W143 AromaticContact CD2-CZ2 3.95Å; Y80-W143 HydrophobicContact CD2-CZ2 3.95Å; Y80-W143 HydrophobicContact CD2-CZ3 4.31Å; Y80-W143 AromaticContact CD2-NE1 3.66Å; Y80-W143 HydrophobicContact CE1-CB 4.29Å; Y80-W143 HydrophobicContact CE2-CB 4.26Å; Y80-W143 AromaticContact CE2-CD2 3.52Å; Y80-W143 HydrophobicContact CE2-CD2 3.52Å; Y80-W143 AromaticContact CE2-CE3 3.54Å; Y80-W143 HydrophobicContact CE2-CE3 3.54Å; Y80-W143 AromaticContact CE2-CG 3.88Å; Y80-W143 HydrophobicContact CE2-CG 3.88Å; Y80-W143 HydrophobicContact CE2-CH2 4.46Å; Y80-W143 HydrophobicContact CE2-CZ2 4.48Å; Y80-W143 HydrophobicContact CE2-CZ3 4.03Å; Y80-W143 HydrophobicContact CG-CB 4.28Å; Y80-W143 AromaticContact CG-CD1 3.67Å; Y80-W143 HydrophobicContact CG-CD2 4.05Å; Y80-W143 AromaticContact CG-CG 3.76Å; Y80-W143 HydrophobicContact CG-CG 3.76Å; Y80-W143 AromaticContact CG-NE1 3.91Å; W138-W143 PolarHBondContact O-NE1 3.47Å; P139-W143 VanDerWaalsContact O-CD1 3.24Å; P140-W143 HydrophobicContact CB-CD2 4.21Å; P140-W143 HydrophobicContact CB-CE3 4.38Å; P140-W143 HydrophobicContact CB-CZ2 4.38Å; P140-W143 HydrophobicContact CG-CH2 4.23Å; P140-W143 HydrophobicContact CG-CZ2 3.9Å; P140-W143 WeakPolarHBondContact O-CB 3.44Å; P140-W143 PolarHBondContact O-N 2.92Å; P140-W143 VanDerWaalsContact O-N 3.08Å; W143-P145 WeakPolarHBondContact O-CD 3.5Å
144N92.3Very high92.8Very high55 Ų5566.2 Ų66.229%0.29436%0.358SS..  trans-119.781.1173.2-176.311000109.5S146 A147N144-S146 PolarHBondContact O-N 3.04Å; N144-S146 PolarHBondContact OD1-N 3.2Å; N144-S146 PolarHBondContact OD1-OG 3.27Å; N144-A147 HydrophobicContact CB-CB 4.44Å; N144-A147 WeakPolarHBondContact O-CB 3.04Å; N144-A147 PolarHBondContact O-N 3.42Å; N144-A147 VanDerWaalsContact O-N 3.17Å
145P92.3Very high92.6Very high61 Ų6165.3 Ų65.340%0.39635%0.351SS..G310 helixtrans-57.6-32.5178.5-24.334.5000112.6W143 A147 F148W143-P145 WeakPolarHBondContact O-CD 3.5Å; P145-A147 PolarHBondContact O-N 2.83Å; P145-A147 VanDerWaalsContact O-N 3.14Å; P145-F148 PolarHBondContact O-N 2.99Å
146S91.5Very high92.4Very high76 Ų7669 Ų6953%0.53137%0.368SS..G310 helixtrans-65.4-16.5-178.877.30000114.5N144 F148 D149N144-S146 PolarHBondContact O-N 3.04Å; N144-S146 PolarHBondContact OD1-N 3.2Å; N144-S146 PolarHBondContact OD1-OG 3.27Å; S146-F148 PolarHBondContact O-N 3.36Å; S146-D149 WeakPolarHBondContact CA-OD2 3.44Å
147A92.2Very high92.2Very high22 Ų2265.6 Ų65.618%0.18235%0.347CS..G310 helixtrans-66.5-20.1171.800000112.7E31 A42 I55 N144 P145E31-A147 WeakPolarHBondContact OE2-CB 3.35Å; A42-A147 HydrophobicContact CB-CB 4.19Å; A42-A147 WeakPolarHBondContact CB-O 3.46Å; I55-A147 WeakPolarHBondContact CD1-O 3.17Å; I55-A147 WeakPolarHBondContact CG1-O 3.41Å; N144-A147 HydrophobicContact CB-CB 4.44Å; N144-A147 WeakPolarHBondContact O-CB 3.04Å; N144-A147 PolarHBondContact O-N 3.42Å; N144-A147 VanDerWaalsContact O-N 3.17Å; P145-A147 PolarHBondContact O-N 2.83Å; P145-A147 VanDerWaalsContact O-N 3.14Å
148F94Very high92.2Very high7 Ų768.1 Ų68.13%0.03136%0.363CS..G310 helixtrans-109.52.1-175.9-57.6-86.6000113.3E31 R33 Q40 A42 Y80 P145 S146E31-F148 HydrophobicContact CB-CZ 3.86Å; R33-F148 HydrophobicContact CB-CD1 3.86Å; R33-F148 HydrophobicContact CB-CD2 4.06Å; R33-F148 HydrophobicContact CB-CE1 3.57Å; R33-F148 HydrophobicContact CB-CE2 3.82Å; R33-F148 HydrophobicContact CB-CG 4.09Å; R33-F148 HydrophobicContact CB-CZ 3.55Å; Q40-F148 HydrophobicContact CB-CD1 3.63Å; Q40-F148 HydrophobicContact CB-CE1 4.09Å; A42-F148 HydrophobicContact CB-CD1 3.93Å; A42-F148 HydrophobicContact CB-CE1 3.67Å; A42-F148 HydrophobicContact CB-CZ 4.04Å; Y80-F148 AromaticContact CD1-CE2 3.91Å; Y80-F148 HydrophobicContact CD1-CE2 3.91Å; Y80-F148 HydrophobicContact CE1-CD2 4Å; Y80-F148 AromaticContact CE1-CE2 3.56Å; Y80-F148 HydrophobicContact CE1-CE2 3.56Å; Y80-F148 HydrophobicContact CE1-CZ 4.47Å; P145-F148 PolarHBondContact O-N 2.99Å; S146-F148 PolarHBondContact O-N 3.36Å
149D91.5Very high92.2Very high94 Ų9467.3 Ų67.350%0.50336%0.361SS..SBendtrans-74.5135178.4-71.7-21.6000110.3I55 S146 F151I55-D149 WeakPolarHBondContact CD1-O 2.88Å; S146-D149 WeakPolarHBondContact CA-OD2 3.44Å; D149-F151 PolarHBondContact O-N 3.4Å
150D87.7Confident92.2Very high83 Ų8369.8 Ų69.844%0.44437%0.371SS..  trans-54.2138.7174.1-109.9-11.1000109.9S152 R277 Q279D150-S152 PolarHBondContact O-N 2.99Å; D150-R277 IonicContact OD1-CZ 3.77Å; D150-R277 IonicContact OD1-NH1 3.82Å; D150-R277 PolarHBondContact OD1-NH1 3.37Å; D150-R277 IonicContact OD1-NH2 2.83Å; D150-R277 IonicContact OD2-CZ 2.99Å; D150-R277 IonicContact OD2-NH1 3.6Å; D150-R277 PolarHBondContact OD2-NH1 2.93Å; D150-R277 IonicContact OD2-NH2 2.78Å; D150-Q279 PolarHBondContact OD1-NE2 3.13Å
151F89.2Confident92.1Very high36 Ų3668.9 Ų68.916%0.15836%0.364CS..  trans-71.7108.9-178.6-54.8-54.5000110.1K53 I55 D149 L153 Q279 L281K53-F151 HydrophobicContact CB-CE1 3.74Å; K53-F151 HydrophobicContact CB-CZ 3.52Å; K53-F151 HydrophobicContact CD-CE1 3.85Å; K53-F151 HydrophobicContact CG-CE1 4.44Å; I55-F151 HydrophobicContact CB-CE2 4.45Å; I55-F151 HydrophobicContact CB-CZ 4.34Å; I55-F151 HydrophobicContact CD1-CD1 4.14Å; I55-F151 HydrophobicContact CD1-CE1 3.52Å; I55-F151 HydrophobicContact CD1-CE2 4.06Å; I55-F151 HydrophobicContact CD1-CZ 3.48Å; I55-F151 VanDerWaalsContact CD1-CZ 3.48Å; I55-F151 HydrophobicContact CG1-CE1 4.14Å; I55-F151 HydrophobicContact CG1-CE2 4.19Å; I55-F151 HydrophobicContact CG1-CZ 3.63Å; D149-F151 PolarHBondContact O-N 3.4Å; F151-L153 HydrophobicContact CB-CD1 3.65Å; F151-L153 HydrophobicContact CB-CG 3.79Å; F151-L153 HydrophobicContact CG-CD1 4.44Å; F151-L153 PolarHBondContact O-N 3.24Å; F151-Q279 HydrophobicContact CD2-CB 3.92Å; F151-Q279 HydrophobicContact CE2-CB 3.71Å; F151-L281 HydrophobicContact CB-CD1 4.27Å; F151-L281 HydrophobicContact CD1-CD1 3.59Å; F151-L281 HydrophobicContact CD1-CG 4.36Å; F151-L281 HydrophobicContact CD2-CD1 3.79Å; F151-L281 HydrophobicContact CD2-CD2 3.8Å; F151-L281 HydrophobicContact CD2-CG 3.71Å; F151-L281 HydrophobicContact CE1-CD1 3.73Å; F151-L281 HydrophobicContact CE1-CG 4.28Å; F151-L281 HydrophobicContact CE2-CD1 3.93Å; F151-L281 HydrophobicContact CE2-CD2 4.11Å; F151-L281 HydrophobicContact CE2-CG 3.62Å; F151-L281 HydrophobicContact CG-CD1 3.62Å; F151-L281 HydrophobicContact CG-CD2 4.28Å; F151-L281 HydrophobicContact CG-CG 4.09Å; F151-L281 HydrophobicContact CZ-CD1 3.89Å; F151-L281 HydrophobicContact CZ-CG 3.91Å
152S89Confident92.1Very high119 Ų11959.5 Ų59.583%0.83233%0.332SS*.  trans-6877.6171.7-63.90000110.9D150D150-S152 PolarHBondContact O-N 2.99Å
153L89Confident92Very high45 Ų4559 Ų5924%0.23634%0.335CS..  trans-116.9142.9-177.7-61.8173.3000110.5F151 L266 H268 L281F151-L153 HydrophobicContact CB-CD1 3.65Å; F151-L153 HydrophobicContact CB-CG 3.79Å; F151-L153 HydrophobicContact CG-CD1 4.44Å; F151-L153 PolarHBondContact O-N 3.24Å; L153-L266 HydrophobicContact CD1-CD1 4.1Å; L153-L266 HydrophobicContact CD2-CD1 4.38Å; L153-L266 HydrophobicContact CD2-CD2 4.06Å; L153-H268 HydrophobicContact CD1-CB 3.89Å; L153-L281 HydrophobicContact CD1-CD1 4.14Å; L153-L281 HydrophobicContact CD1-CD2 3.43Å; L153-L281 VanDerWaalsContact CD1-CD2 3.43Å; L153-L281 HydrophobicContact CD1-CG 4.45Å
154H90.7Very high92Very high160 Ų16058.1 Ų58.174%0.74133%0.333SS*.  trans-124.278.6172.7-60.5-59.1000109E156H154-E156 PolarHBondContact O-N 3.26Å
155P91.6Very high92Very high36 Ų3662.3 Ų62.323%0.23435%0.348CS..  trans-59.6131.9176.8-19.331.7000110.9V157 I261 V262P155-V157 PolarHBondContact O-N 3.46Å; P155-I261 WeakPolarHBondContact CA-O 3.28Å; P155-I261 WeakPolarHBondContact CB-O 3.49Å; P155-V262 HydrophobicContact CB-CG2 4.31Å; P155-V262 HydrophobicContact CG-CG2 4.31Å
156E92.9Very high92.1Very high86 Ų8662.4 Ų62.440%0.40235%0.348SS..SBendtrans-67.9-29175.8-66.279.6-168.100111.5H154 S234 I261 V262 D263H154-E156 PolarHBondContact O-N 3.26Å; E156-S234 WeakPolarHBondContact CB-OG 3.48Å; E156-I261 PolarHBondContact N-O 3.3Å; E156-I261 VanDerWaalsContact N-O 3.13Å; E156-V262 WeakPolarHBondContact OE2-CA 3.46Å; E156-D263 PolarHBondContact OE2-N 2.75Å
157V94Very high92.3Very high6 Ų659 Ų594%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-133.3134.9174.8177.20000109.8P155 L159 K187 G260 I261P155-V157 PolarHBondContact O-N 3.46Å; V157-L159 HydrophobicContact CG1-CD1 4.29Å; V157-L159 HydrophobicContact CG1-CD2 3.72Å; V157-L159 HydrophobicContact CG1-CG 3.79Å; V157-K187 HydrophobicContact CG2-CG 4.25Å; V157-G260 CarbonylContact O-C 3.56Å; V157-G260 WeakPolarHBondContact O-CA 3.5Å; V157-I261 PolarHBondContact O-N 3.46Å
158T94.6Very high92.5Very high84 Ų8460.7 Ų60.752%0.51533%0.328SS..EExtended strand (participates in β ladder)trans-129.5123.4174.5-61.60000109.6V258 V259T158-V258 HydrophobicContact CG2-CG1 3.29Å; T158-V259 CarbonylContact C-O 3.52Å; T158-V259 WeakPolarHBondContact CA-O 3.37Å
159L94.4Very high92.6Very high12 Ų1269.2 Ų69.26%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-124.3144.8-173.1-56-178.3000111.7V157 L161 M191 V258 V259V157-L159 HydrophobicContact CG1-CD1 4.29Å; V157-L159 HydrophobicContact CG1-CD2 3.72Å; V157-L159 HydrophobicContact CG1-CG 3.79Å; L159-L161 PolarHBondContact O-N 3.35Å; L159-M191 HydrophobicContact CD1-CB 3.77Å; L159-M191 HydrophobicContact CD1-CG 4.18Å; L159-V258 CarbonylContact O-C 3.53Å; L159-V258 VanDerWaalsContact O-CA 3.31Å; L159-V258 WeakPolarHBondContact O-CA 3.1Å; L159-V258 WeakPolarHBondContact O-CG1 3.42Å; L159-V259 HydrophobicContact CB-CG1 3.93Å; L159-V259 PolarHBondContact N-O 2.97Å; L159-V259 PolarHBondContact O-N 2.9Å
160L93.3Very high92.8Very high84 Ų8466.2 Ų66.244%0.4435%0.345SS..EExtended strand (participates in β ladder)trans-70127.2163-173.971.4000108.7R256 A257 V258L160-R256 HydrophobicContact CD1-CB 4.26Å; L160-A257 WeakPolarHBondContact CD1-O 3.44Å; L160-V258 HydrophobicContact CD1-CG2 4.36Å
161L93.2Very high93.2Very high20 Ų2062.2 Ų62.211%0.10532%0.324CS..PPolyproline II helixtrans-70.4138176.8-79.4167.4000110.3L159 L164 M191 F246 A257 V259 L269L159-L161 PolarHBondContact O-N 3.35Å; L161-L164 HydrophobicContact CB-CD2 4.15Å; L161-L164 HydrophobicContact CD1-CD2 3.92Å; L161-M191 HydrophobicContact CD2-CE 4.42Å; L161-M191 HydrophobicContact CD2-SD 3.88Å; L161-F246 HydrophobicContact CD1-CE1 3.98Å; L161-A257 HydrophobicContact CB-CB 4.19Å; L161-A257 WeakPolarHBondContact CB-O 3.45Å; L161-A257 HydrophobicContact CD1-CB 3.91Å; L161-A257 PolarHBondContact N-O 3.04Å; L161-V259 HydrophobicContact CD1-CB 4.29Å; L161-V259 HydrophobicContact CD2-CB 3.94Å; L161-V259 HydrophobicContact CD2-CG1 3.65Å; L161-V259 HydrophobicContact CG-CB 3.99Å; L161-V259 HydrophobicContact CG-CG1 3.94Å; L161-L269 HydrophobicContact CD1-CD2 3.76Å
162P91.5Very high93.5Very high21 Ų2162.5 Ų62.514%0.13633%0.332CS..PPolyproline II helixtrans-55.6164.8163-19.530.6000110.7L164 V167 M191 F206P162-L164 PolarHBondContact O-N 3.31Å; P162-L164 VanDerWaalsContact O-N 3.08Å; P162-V167 HydrophobicContact CB-CG2 3.84Å; P162-V167 HydrophobicContact CG-CG2 4.1Å; P162-M191 HydrophobicContact CG-CE 3.81Å; P162-F206 HydrophobicContact CB-CD1 3.93Å; P162-F206 HydrophobicContact CB-CE1 4.22Å; P162-F206 HydrophobicContact CG-CB 3.94Å; P162-F206 HydrophobicContact CG-CD1 3.51Å; P162-F206 HydrophobicContact CG-CE1 4.11Å; P162-F206 HydrophobicContact CG-CG 3.75Å
163P91.8Very high93.7Very high94 Ų9458.6 Ų58.661%0.6131%0.311SS*.PPolyproline II helixtrans-49.1123.5178.9-2734.1000111.4K165 V166 V167P163-K165 PolarHBondContact O-N 2.97Å; P163-V166 HydrophobicContact CB-CG2 4.08Å; P163-V166 HydrophobicContact CG-CG2 4.5Å; P163-V166 WeakPolarHBondContact O-CA 3.5Å; P163-V166 WeakPolarHBondContact O-CB 3.22Å; P163-V166 PolarHBondContact O-N 2.82Å; P163-V167 PolarHBondContact O-N 2.73Å
164L94.2Very high94Very high19 Ų1956.6 Ų56.610%0.09930%0.3CS..Hα-helixtrans-55.2-34.5-168.5-60.6-169000112.9L161 P162 V166 V167 Q168 F246 L247 I249 L251 A257L161-L164 HydrophobicContact CB-CD2 4.15Å; L161-L164 HydrophobicContact CD1-CD2 3.92Å; P162-L164 PolarHBondContact O-N 3.31Å; P162-L164 VanDerWaalsContact O-N 3.08Å; L164-V166 VanDerWaalsContact C-N 3.3Å; L164-V166 PolarHBondContact O-N 2.81Å; L164-V167 PolarHBondContact O-N 2.79Å; L164-Q168 WeakPolarHBondContact O-CB 3.27Å; L164-Q168 PolarHBondContact O-N 2.85Å; L164-F246 HydrophobicContact CD1-CE1 4.27Å; L164-F246 HydrophobicContact CD2-CE1 4.28Å; L164-L247 HydrophobicContact CB-CD2 4.42Å; L164-L247 HydrophobicContact CD2-CD2 3.93Å; L164-I249 HydrophobicContact CD1-CD1 3.97Å; L164-I249 HydrophobicContact CD1-CG1 3.71Å; L164-L251 HydrophobicContact CD1-CD1 3.57Å; L164-L251 HydrophobicContact CD1-CG 3.91Å; L164-L251 HydrophobicContact CG-CD1 4.22Å; L164-A257 HydrophobicContact CD2-CB 3.94Å
165K93.4Very high94.1Very high143 Ų14355.2 Ų55.262%0.62229%0.292SS*.Hα-helixtrans-61.3-33.9175.6-69.6-174.4179.4176.90113.5P163 R169P163-K165 PolarHBondContact O-N 2.97Å; K165-R169 WeakPolarHBondContact O-CG 3.36Å; K165-R169 PolarHBondContact O-N 3.37Å
166V94.4Very high94Very high64 Ų6461.7 Ų61.739%0.38832%0.319SS..Hα-helixtrans-71.4-50.4177.7178.40000109.1P163 L164 Q168 R169 V170 F206P163-V166 HydrophobicContact CB-CG2 4.08Å; P163-V166 HydrophobicContact CG-CG2 4.5Å; P163-V166 WeakPolarHBondContact O-CA 3.5Å; P163-V166 WeakPolarHBondContact O-CB 3.22Å; P163-V166 PolarHBondContact O-N 2.82Å; L164-V166 VanDerWaalsContact C-N 3.3Å; L164-V166 PolarHBondContact O-N 2.81Å; V166-Q168 VanDerWaalsContact C-N 3.28Å; V166-Q168 PolarHBondContact O-N 2.93Å; V166-R169 PolarHBondContact O-N 3.38Å; V166-R169 VanDerWaalsContact O-N 3.15Å; V166-V170 PolarHBondContact O-N 3.44Å; V166-F206 HydrophobicContact CG1-CE1 4.04Å
167V95.7Very high93.9Very high3 Ų362 Ų622%0.01832%0.321CS..Hα-helixtrans-59.9-41.6177.3-169.80000110.7P162 P163 L164 R169 V170 I171 M191 L193 F206 L247P162-V167 HydrophobicContact CB-CG2 3.84Å; P162-V167 HydrophobicContact CG-CG2 4.1Å; P163-V167 PolarHBondContact O-N 2.73Å; L164-V167 PolarHBondContact O-N 2.79Å; V167-R169 PolarHBondContact O-N 2.84Å; V167-V170 PolarHBondContact O-N 2.91Å; V167-I171 HydrophobicContact CG1-CG1 4.41Å; V167-I171 WeakPolarHBondContact O-CG1 3.49Å; V167-I171 PolarHBondContact O-N 2.87Å; V167-M191 HydrophobicContact CG1-CE 4.5Å; V167-M191 HydrophobicContact CG2-CE 4.36Å; V167-L193 HydrophobicContact CG1-CD1 3.78Å; V167-F206 HydrophobicContact CG2-CE1 4.49Å; V167-F206 HydrophobicContact CG2-CZ 4.37Å; V167-L247 HydrophobicContact CB-CD1 4.15Å; V167-L247 HydrophobicContact CB-CD2 3.88Å; V167-L247 HydrophobicContact CG1-CD1 3.62Å; V167-L247 HydrophobicContact CG1-CD2 3.82Å; V167-L247 HydrophobicContact CG1-CG 4.37Å
168Q96.2Very high93.8Very high59 Ų5962.7 Ų62.728%0.27633%0.33SS..Hα-helixtrans-54.9-45.7174.4162.4165.356.700112.7L164 V166 V170 I171 A172 M244 L247 S248L164-Q168 WeakPolarHBondContact O-CB 3.27Å; L164-Q168 PolarHBondContact O-N 2.85Å; V166-Q168 VanDerWaalsContact C-N 3.28Å; V166-Q168 PolarHBondContact O-N 2.93Å; Q168-V170 VanDerWaalsContact C-N 3.33Å; Q168-V170 PolarHBondContact O-N 3.11Å; Q168-I171 PolarHBondContact O-N 3.23Å; Q168-A172 VanDerWaalsContact O-CB 3.24Å; Q168-A172 WeakPolarHBondContact O-CB 3.23Å; Q168-A172 PolarHBondContact O-N 3Å; Q168-M244 HydrophobicContact CB-CE 3.57Å; Q168-M244 HydrophobicContact CG-CE 3.29Å; Q168-M244 HydrophobicContact CG-SD 4.32Å; Q168-L247 HydrophobicContact CB-CB 4.08Å; Q168-S248 PolarHBondContact NE2-OG 2.94Å; Q168-S248 VanDerWaalsContact NE2-OG 3.12Å
169R95.7Very high93.7Very high186 Ų18665.7 Ų65.770%0.70234%0.338SS*.Hα-helixtrans-63.8-40.5179.2-73.7171.5-174.5172.80.5111.7K165 V166 V167 A172 G173K165-R169 WeakPolarHBondContact O-CG 3.36Å; K165-R169 PolarHBondContact O-N 3.37Å; V166-R169 PolarHBondContact O-N 3.38Å; V166-R169 VanDerWaalsContact O-N 3.15Å; V167-R169 PolarHBondContact O-N 2.84Å; R169-A172 PolarHBondContact O-N 2.97Å; R169-G173 PolarHBondContact O-N 2.77Å; R169-G173 VanDerWaalsContact O-N 3.12Å
170V95.8Very high93.8Very high30 Ų3067.4 Ų67.418%0.18235%0.346CS..Hα-helixtrans-63.5-50.9177174.30000110.6V166 V167 Q168 A172 G173 M174 L193 T204 F206V166-V170 PolarHBondContact O-N 3.44Å; V167-V170 PolarHBondContact O-N 2.91Å; Q168-V170 VanDerWaalsContact C-N 3.33Å; Q168-V170 PolarHBondContact O-N 3.11Å; V170-A172 VanDerWaalsContact C-N 3.3Å; V170-A172 PolarHBondContact O-N 3.1Å; V170-G173 PolarHBondContact O-N 3.28Å; V170-G173 VanDerWaalsContact O-N 3.14Å; V170-M174 HydrophobicContact CG1-CE 3.73Å; V170-M174 HydrophobicContact CG1-SD 4.12Å; V170-M174 PolarHBondContact O-N 3.18Å; V170-L193 HydrophobicContact CG1-CD1 4.29Å; V170-T204 HydrophobicContact CG1-CG2 3.95Å; V170-T204 WeakPolarHBondContact CG1-OG1 3.42Å; V170-T204 HydrophobicContact CG2-CG2 4.03Å; V170-F206 HydrophobicContact CG2-CZ 4.07Å
171I96.7Very high93.9Very high0 Ų063.4 Ų63.40%033%0.325CS..Hα-helixtrans-62.4-37.1178-66.5-57.8000111.7V167 Q168 G173 M174 K175 V181 L193 I240 L243 M244 L247V167-I171 HydrophobicContact CG1-CG1 4.41Å; V167-I171 WeakPolarHBondContact O-CG1 3.49Å; V167-I171 PolarHBondContact O-N 2.87Å; Q168-I171 PolarHBondContact O-N 3.23Å; I171-G173 VanDerWaalsContact C-N 3.32Å; I171-G173 PolarHBondContact O-N 2.93Å; I171-M174 HydrophobicContact CD1-SD 4.19Å; I171-M174 PolarHBondContact O-N 3.16Å; I171-K175 WeakPolarHBondContact O-CB 3.49Å; I171-K175 PolarHBondContact O-N 3.45Å; I171-V181 HydrophobicContact CD1-CB 4.31Å; I171-V181 HydrophobicContact CD1-CG1 4.01Å; I171-V181 HydrophobicContact CD1-CG2 3.94Å; I171-L193 HydrophobicContact CD1-CD1 3.86Å; I171-L193 HydrophobicContact CG1-CD1 4.26Å; I171-I240 HydrophobicContact CG2-CG1 4.48Å; I171-I240 HydrophobicContact CG2-CG2 3.65Å; I171-L243 HydrophobicContact CD1-CD2 3.82Å; I171-L243 HydrophobicContact CG1-CD2 4.04Å; I171-M244 HydrophobicContact CB-SD 3.91Å; I171-M244 HydrophobicContact CG2-CB 4.29Å; I171-M244 HydrophobicContact CG2-CG 4.38Å; I171-M244 HydrophobicContact CG2-SD 3.54Å; I171-M244 VanDerWaalsContact CG2-SD 3.54Å; I171-L247 HydrophobicContact CB-CD1 4.16Å; I171-L247 HydrophobicContact CG1-CD1 3.66Å
172A95.3Very high94.1Very high41 Ų4164.6 Ų64.634%0.33933%0.331SS..Hα-helixtrans-61.8-38.9175.500000112.2Q168 R169 V170 K175 H176Q168-A172 VanDerWaalsContact O-CB 3.24Å; Q168-A172 WeakPolarHBondContact O-CB 3.23Å; Q168-A172 PolarHBondContact O-N 3Å; R169-A172 PolarHBondContact O-N 2.97Å; V170-A172 VanDerWaalsContact C-N 3.3Å; V170-A172 PolarHBondContact O-N 3.1Å; A172-K175 WeakPolarHBondContact O-CB 3.46Å; A172-H176 PolarHBondContact O-CD2 3.42Å; A172-H176 VanDerWaalsContact O-CD2 3.28Å
173G93.7Very high94.4Very high37 Ų3763.8 Ų63.838%0.38133%0.326SS..Hα-helixtrans-64.4-46.8172.200000112.5R169 V170 I171 K175 H176R169-G173 PolarHBondContact O-N 2.77Å; R169-G173 VanDerWaalsContact O-N 3.12Å; V170-G173 PolarHBondContact O-N 3.28Å; V170-G173 VanDerWaalsContact O-N 3.14Å; I171-G173 VanDerWaalsContact C-N 3.32Å; I171-G173 PolarHBondContact O-N 2.93Å; G173-K175 VanDerWaalsContact C-N 3.29Å; G173-K175 PolarHBondContact O-N 3.34Å; G173-H176 PolarHBondContact O-N 3.36Å
174M94.8Very high94.6Very high3 Ų361.9 Ų61.92%0.01531%0.309CS..Hα-helixtrans-64.8-30.6179-68.4175.1173.700113.2V170 I171 H176 M177 G178 V181 L193 M195 V202 I240V170-M174 HydrophobicContact CG1-CE 3.73Å; V170-M174 HydrophobicContact CG1-SD 4.12Å; V170-M174 PolarHBondContact O-N 3.18Å; I171-M174 HydrophobicContact CD1-SD 4.19Å; I171-M174 PolarHBondContact O-N 3.16Å; M174-H176 PolarHBondContact O-N 3.25Å; M174-H176 VanDerWaalsContact O-N 3.15Å; M174-M177 PolarHBondContact O-N 3.13Å; M174-G178 PolarHBondContact O-N 2.91Å; M174-V181 HydrophobicContact SD-CG2 3.94Å; M174-L193 HydrophobicContact CE-CB 4.15Å; M174-L193 WeakPolarHBondContact CE-O 3.32Å; M174-L193 HydrophobicContact SD-CB 4.39Å; M174-M195 HydrophobicContact CB-CB 4.08Å; M174-M195 HydrophobicContact CB-CG 4.49Å; M174-M195 HydrophobicContact CG-CB 4.03Å; M174-M195 HydrophobicContact SD-CB 4.13Å; M174-V202 HydrophobicContact CE-CG1 4.2Å; M174-I240 HydrophobicContact CB-CD1 4.29Å
175K92.9Very high94.7Very high131 Ų13161 Ų6157%0.5731%0.305SS*.THydrogen-bonded Turntrans-57.1-29.4179.2-173.9-176.7173.1-171.30113.3I171 A172 G173 M177 I240I171-K175 WeakPolarHBondContact O-CB 3.49Å; I171-K175 PolarHBondContact O-N 3.45Å; A172-K175 WeakPolarHBondContact O-CB 3.46Å; G173-K175 VanDerWaalsContact C-N 3.29Å; G173-K175 PolarHBondContact O-N 3.34Å; K175-M177 VanDerWaalsContact C-N 3.26Å; K175-M177 PolarHBondContact O-N 2.84Å; K175-I240 HydrophobicContact CB-CG2 3.87Å; K175-I240 HydrophobicContact CD-CG2 4.43Å; K175-I240 HydrophobicContact CG-CG2 3.93Å
176H89.4Confident94.7Very high172 Ų17255.6 Ų55.680%0.79628%0.284SS*.THydrogen-bonded Turntrans-73.6-19.5178.2-70-72.8000113.3A172 G173 M174A172-H176 PolarHBondContact O-CD2 3.42Å; A172-H176 VanDerWaalsContact O-CD2 3.28Å; G173-H176 PolarHBondContact O-N 3.36Å; M174-H176 PolarHBondContact O-N 3.25Å; M174-H176 VanDerWaalsContact O-N 3.15Å
177M90.9Very high94.6Very high92 Ų9258.7 Ų58.745%0.45329%0.292SS..THydrogen-bonded Turntrans-101-29.3-174.9-61169.2-172.700111.9M174 K175 M195 T197 V202M174-M177 PolarHBondContact O-N 3.13Å; K175-M177 VanDerWaalsContact C-N 3.26Å; K175-M177 PolarHBondContact O-N 2.84Å; M177-M195 HydrophobicContact CB-CE 3.9Å; M177-M195 HydrophobicContact CB-SD 3.19Å; M177-M195 WeakPolarHBondContact CB-SD 3.42Å; M177-M195 HydrophobicContact CG-SD 4.36Å; M177-M195 HydrophobicContact SD-CE 4.32Å; M177-M195 HydrophobicContact SD-SD 4.37Å; M177-T197 WeakPolarHBondContact O-CG2 3.4Å; M177-V202 HydrophobicContact CE-CG2 4.14Å; M177-V202 HydrophobicContact SD-CB 4.38Å; M177-V202 HydrophobicContact SD-CG2 3.56Å; M177-V202 VanDerWaalsContact SD-CG2 3.56Å
178G91.6Very high94.3Very high21 Ų2163.1 Ų63.122%0.21632%0.319CS..  trans-162.2174.1-179.900000113.8M174 I240M174-G178 PolarHBondContact O-N 2.91Å; G178-I240 WeakPolarHBondContact O-CD1 3.32Å
179Q93.6Very high94.1Very high147 Ų14761.4 Ų61.469%0.68732%0.317SS*.SBendtrans-97.7-11179.2-62.7-175.12.200113.5E239 I240Q179-E239 WeakPolarHBondContact O-CA 3.48Å; Q179-I240 WeakPolarHBondContact O-CB 3.16Å; Q179-I240 PolarHBondContact O-N 3.28Å
180H95.3Very high94Very high48 Ų4856.7 Ų56.722%0.22230%0.304CS..EExtended strand (participates in β ladder)trans-126.5146.3-173.8-54.994.4000111M195 R237 V238H180-M195 WeakPolarHBondContact O-CG 2.98Å; H180-R237 HydrophobicContact CB-CG 4.15Å; H180-V238 WeakPolarHBondContact CA-O 3.19Å
181V96.6Very high93.9Very high1 Ų155.5 Ų55.51%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-132.5137.3174.2640000109.2I171 M174 V183 L193 V238 I240 L243I171-V181 HydrophobicContact CD1-CB 4.31Å; I171-V181 HydrophobicContact CD1-CG1 4.01Å; I171-V181 HydrophobicContact CD1-CG2 3.94Å; M174-V181 HydrophobicContact SD-CG2 3.94Å; V181-V183 HydrophobicContact CG1-CG2 4.43Å; V181-L193 HydrophobicContact CG2-CB 4.23Å; V181-V238 HydrophobicContact CG1-CG2 3.89Å; V181-V238 PolarHBondContact N-O 3.32Å; V181-V238 PolarHBondContact O-N 3.45Å; V181-I240 HydrophobicContact CB-CD1 4.2Å; V181-I240 HydrophobicContact CB-CG1 3.81Å; V181-I240 HydrophobicContact CG1-CG1 3.78Å; V181-L243 HydrophobicContact CG1-CD2 3.77Å
182L96.9Very high93.9Very high45 Ų4556.4 Ų56.424%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-85.4117.6170.7-173.671.2000108.4M184 L193 T194 R237L182-M184 HydrophobicContact CD2-CE 4.34Å; L182-M184 HydrophobicContact CD2-CG 3.68Å; L182-M184 HydrophobicContact CD2-SD 3.49Å; L182-M184 WeakPolarHBondContact CD2-SD 3.39Å; L182-M184 HydrophobicContact CG-CG 3.69Å; L182-M184 HydrophobicContact CG-SD 4.21Å; L182-L193 WeakPolarHBondContact O-CA 3.24Å; L182-T194 WeakPolarHBondContact CB-O 3.39Å; L182-T194 PolarHBondContact N-O 2.71Å; L182-T194 PolarHBondContact O-N 3.01Å; L182-R237 HydrophobicContact CD1-CB 4.15Å
183V97Very high94Very high4 Ų454.6 Ų54.62%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-96.1112.7172.2-176.30000107.1V181 L193 S235 A236 V238 L243 I261 I267V181-V183 HydrophobicContact CG1-CG2 4.43Å; V183-L193 HydrophobicContact CB-CD2 4.27Å; V183-L193 HydrophobicContact CG1-CD2 4.09Å; V183-L193 HydrophobicContact CG2-CD2 3.9Å; V183-S235 CarbonylContact O-C 3.59Å; V183-S235 VanDerWaalsContact O-CA 3.27Å; V183-S235 WeakPolarHBondContact O-CA 3.3Å; V183-A236 PolarHBondContact N-O 3.02Å; V183-A236 PolarHBondContact O-N 3.11Å; V183-V238 HydrophobicContact CG2-CG2 3.94Å; V183-L243 HydrophobicContact CG2-CD2 4.22Å; V183-I261 HydrophobicContact CG1-CD1 4.06Å; V183-I261 HydrophobicContact CG1-CG1 4.48Å; V183-I267 HydrophobicContact CB-CG2 4.33Å; V183-I267 HydrophobicContact CG2-CD1 4.36Å
184M96.3Very high94.2Very high53 Ų5353.6 Ų53.626%0.26127%0.273SS..EExtended strand (participates in β ladder)trans-112.7142.7177.1-53.5-167.9-70.700109.9L182 M191 T192 S234L182-M184 HydrophobicContact CD2-CE 4.34Å; L182-M184 HydrophobicContact CD2-CG 3.68Å; L182-M184 HydrophobicContact CD2-SD 3.49Å; L182-M184 WeakPolarHBondContact CD2-SD 3.39Å; L182-M184 HydrophobicContact CG-CG 3.69Å; L182-M184 HydrophobicContact CG-SD 4.21Å; M184-M191 CarbonylContact O-C 3.55Å; M184-M191 WeakPolarHBondContact O-CA 3.46Å; M184-T192 HydrophobicContact CE-CG2 3.67Å; M184-T192 PolarHBondContact N-O 2.87Å; M184-T192 PolarHBondContact O-N 3.15Å; M184-S234 WeakPolarHBondContact CA-O 3.34Å
185G95.7Very high94.2Very high1 Ų153.6 Ų53.61%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-136.4142.9174.400000110.9E190 S233 S234 I261G185-E190 CarbonylContact C-O 3.58Å; G185-E190 WeakPolarHBondContact CA-O 3.32Å; G185-S233 CarbonylContact O-C 3.57Å; G185-S233 WeakPolarHBondContact O-CA 3.42Å; G185-S234 PolarHBondContact N-O 3.34Å; G185-S234 PolarHBondContact O-N 2.99Å; G185-I261 VanDerWaalsContact N-CD1 3.29Å
186T94.5Very high94.1Very high30 Ų3056 Ų5618%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-105.1157.217564.60000111.1T188 G189 E190 E232T186-T188 PolarHBondContact O-N 3.16Å; T186-T188 PolarHBondContact OG1-OG1 3.02Å; T186-G189 PolarHBondContact O-N 3.44Å; T186-G189 VanDerWaalsContact O-N 3.08Å; T186-E190 HydrophobicContact CG2-CB 4.42Å; T186-E190 PolarHBondContact N-O 3.42Å; T186-E190 WeakPolarHBondContact OG1-CB 3.49Å; T186-E190 PolarHBondContact OG1-N 2.76Å; T186-E190 PolarHBondContact OG1-O 3.34Å; T186-E190 PolarHBondContact OG1-OE2 3.4Å; T186-E232 CarbonylContact C-O 3.55Å; T186-E232 WeakPolarHBondContact CA-O 3.35Å
187K91Very high94.1Very high129 Ų12950.1 Ų50.156%0.56125%0.254SS*.THydrogen-bonded Turntrans-64.4-17.2172.8-68.6176.8-177.1162.70113.5V157 G189 E232V157-K187 HydrophobicContact CG2-CG 4.25Å; K187-G189 PolarHBondContact O-N 2.67Å; K187-E232 PolarHBondContact N-O 3.16Å
188T90.1Very high94Very high95 Ų9554 Ų5458%0.58328%0.277SS*.THydrogen-bonded Turntrans-78.3-7.6174.555.10000113.1T186 E190 S208T186-T188 PolarHBondContact O-N 3.16Å; T186-T188 PolarHBondContact OG1-OG1 3.02Å; T188-E190 PolarHBondContact OG1-OE2 3.11Å; T188-S208 VanDerWaalsContact O-CB 3.28Å; T188-S208 WeakPolarHBondContact O-CB 3.5Å
189G91.1Very high93.9Very high23 Ų2361.6 Ų61.624%0.23731%0.307CS..SBendtrans99.94.617700000114.5T186 K187 S208T186-G189 PolarHBondContact O-N 3.44Å; T186-G189 VanDerWaalsContact O-N 3.08Å; K187-G189 PolarHBondContact O-N 2.67Å; G189-S208 WeakPolarHBondContact O-CA 3.38Å
190E93.7Very high93.8Very high88 Ų8858.7 Ų58.741%0.41130%0.295SS..  trans-85.7137.2-177.2-55.2165.7129.400109.9G185 T186 T188 F206G185-E190 CarbonylContact C-O 3.58Å; G185-E190 WeakPolarHBondContact CA-O 3.32Å; T186-E190 HydrophobicContact CG2-CB 4.42Å; T186-E190 PolarHBondContact N-O 3.42Å; T186-E190 WeakPolarHBondContact OG1-CB 3.49Å; T186-E190 PolarHBondContact OG1-N 2.76Å; T186-E190 PolarHBondContact OG1-O 3.34Å; T186-E190 PolarHBondContact OG1-OE2 3.4Å; T188-E190 PolarHBondContact OG1-OE2 3.11Å; E190-F206 WeakPolarHBondContact CA-O 3.48Å
191M95.5Very high93.7Very high5 Ų559.8 Ų59.83%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-115.5131.5176.9-172.6-177.974.800109.5L159 L161 P162 V167 M184 L193 F206 V259L159-M191 HydrophobicContact CD1-CB 3.77Å; L159-M191 HydrophobicContact CD1-CG 4.18Å; L161-M191 HydrophobicContact CD2-CE 4.42Å; L161-M191 HydrophobicContact CD2-SD 3.88Å; P162-M191 HydrophobicContact CG-CE 3.81Å; V167-M191 HydrophobicContact CG1-CE 4.5Å; V167-M191 HydrophobicContact CG2-CE 4.36Å; M184-M191 CarbonylContact O-C 3.55Å; M184-M191 WeakPolarHBondContact O-CA 3.46Å; M191-L193 HydrophobicContact CE-CD1 4.36Å; M191-L193 HydrophobicContact CE-CD2 4.4Å; M191-L193 HydrophobicContact CE-CG 4.3Å; M191-F206 HydrophobicContact CB-CB 4.18Å; M191-F206 HydrophobicContact CE-CB 4.39Å; M191-F206 HydrophobicContact CE-CD2 3.43Å; M191-F206 VanDerWaalsContact CE-CD2 3.43Å; M191-F206 HydrophobicContact CE-CE2 3.76Å; M191-F206 HydrophobicContact CE-CG 3.92Å; M191-F206 HydrophobicContact CE-CZ 4.47Å; M191-F206 PolarHBondContact N-O 2.84Å; M191-F206 WeakPolarHBondContact O-CA 3.18Å; M191-F206 WeakPolarHBondContact O-CB 3.39Å; M191-F206 PolarHBondContact O-N 2.97Å; M191-V259 HydrophobicContact SD-CG1 4.32Å
192T96.4Very high93.6Very high18 Ų1861.8 Ų61.811%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-121.7131.1174.4-56.60000110M184 T204 F205M184-T192 HydrophobicContact CE-CG2 3.67Å; M184-T192 PolarHBondContact N-O 2.87Å; M184-T192 PolarHBondContact O-N 3.15Å; T192-T204 WeakPolarHBondContact CA-O 3.28Å; T192-F205 HydrophobicContact CG2-CD1 3.71Å; T192-F205 HydrophobicContact CG2-CE1 3.66Å; T192-F205 HydrophobicContact CG2-CZ 4.43Å; T192-F205 WeakPolarHBondContact OG1-CD1 3.47Å
193L97.3Very high93.5Very high3 Ų362 Ų622%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-107.2120.5171.8-59.4-179.1000108.5V167 V170 I171 M174 V181 L182 V183 M191 S203 T204 F206V167-L193 HydrophobicContact CG1-CD1 3.78Å; V170-L193 HydrophobicContact CG1-CD1 4.29Å; I171-L193 HydrophobicContact CD1-CD1 3.86Å; I171-L193 HydrophobicContact CG1-CD1 4.26Å; M174-L193 HydrophobicContact CE-CB 4.15Å; M174-L193 WeakPolarHBondContact CE-O 3.32Å; M174-L193 HydrophobicContact SD-CB 4.39Å; V181-L193 HydrophobicContact CG2-CB 4.23Å; L182-L193 WeakPolarHBondContact O-CA 3.24Å; V183-L193 HydrophobicContact CB-CD2 4.27Å; V183-L193 HydrophobicContact CG1-CD2 4.09Å; V183-L193 HydrophobicContact CG2-CD2 3.9Å; M191-L193 HydrophobicContact CE-CD1 4.36Å; M191-L193 HydrophobicContact CE-CD2 4.4Å; M191-L193 HydrophobicContact CE-CG 4.3Å; L193-S203 CarbonylContact O-C 3.53Å; L193-S203 VanDerWaalsContact O-CA 3.31Å; L193-S203 WeakPolarHBondContact O-CA 3.49Å; L193-T204 PolarHBondContact N-O 2.8Å; L193-T204 PolarHBondContact O-N 2.84Å; L193-F206 HydrophobicContact CD1-CE2 3.72Å; L193-F206 HydrophobicContact CD1-CZ 4.39Å; L193-F206 HydrophobicContact CG-CE2 3.99Å
194T96.5Very high93.5Very high17 Ų1763.6 Ų63.610%0.10434%0.335CS..EExtended strand (participates in β ladder)trans-124122.1-178.7-57.70000110.2L182 V202 S203L182-T194 WeakPolarHBondContact CB-O 3.39Å; L182-T194 PolarHBondContact N-O 2.71Å; L182-T194 PolarHBondContact O-N 3.01Å; T194-V202 CarbonylContact C-O 3.51Å; T194-V202 WeakPolarHBondContact CA-O 3.42Å; T194-S203 WeakPolarHBondContact CG2-OG 3.28Å; T194-S203 PolarHBondContact OG1-OG 2.92Å
195M95Very high93.4Very high2 Ų268.2 Ų68.21%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-102.9134.2164.9-172.5-113.650.700108.6M174 M177 H180 T197 S201 V202M174-M195 HydrophobicContact CB-CB 4.08Å; M174-M195 HydrophobicContact CB-CG 4.49Å; M174-M195 HydrophobicContact CG-CB 4.03Å; M174-M195 HydrophobicContact SD-CB 4.13Å; M177-M195 HydrophobicContact CB-CE 3.9Å; M177-M195 HydrophobicContact CB-SD 3.19Å; M177-M195 WeakPolarHBondContact CB-SD 3.42Å; M177-M195 HydrophobicContact CG-SD 4.36Å; M177-M195 HydrophobicContact SD-CE 4.32Å; M177-M195 HydrophobicContact SD-SD 4.37Å; H180-M195 WeakPolarHBondContact O-CG 2.98Å; M195-T197 HydrophobicContact CE-CG2 3.85Å; M195-T197 HydrophobicContact SD-CG2 4Å; M195-S201 WeakPolarHBondContact O-CA 3.39Å; M195-V202 PolarHBondContact N-O 2.88Å; M195-V202 PolarHBondContact O-N 2.84Å
196R91.4Very high93.4Very high182 Ų18269.3 Ų69.369%0.68736%0.359SS*.EExtended strand (participates in β ladder)trans-133.6127.5178.3-173.6173.4178.3167.60110.6
197T89.2Confident93.2Very high48 Ų4872.9 Ų72.929%0.29438%0.382SS..  trans-112.5-178.3165620000109M177 M195 E199 I200M177-T197 WeakPolarHBondContact O-CG2 3.4Å; M195-T197 HydrophobicContact CE-CG2 3.85Å; M195-T197 HydrophobicContact SD-CG2 4Å; T197-E199 PolarHBondContact O-N 3.06Å; T197-I200 PolarHBondContact N-O 2.91Å; T197-I200 PolarHBondContact OG1-N 3.43Å; T197-I200 VanDerWaalsContact OG1-N 3.13Å; T197-I200 PolarHBondContact OG1-O 3.08Å
198D88.8Confident92.7Very high175 Ų17569.1 Ų69.194%0.93637%0.373SS*.SBendtrans-64.9-30177.1-60.4-22.3000112.1
199E89.7Confident91.2Very high179 Ų17968 Ų6884%0.83637%0.368SS*.SBendtrans-100.7-31.6-174.3-61.6179.8173.100113.5T197T197-E199 PolarHBondContact O-N 3.06Å
200I90.8Very high89Confident87 Ų8772.3 Ų72.345%0.44639%0.39SS..  trans-137.2138.6-168-56.4176.1000110.8T197 V202T197-I200 PolarHBondContact N-O 2.91Å; T197-I200 PolarHBondContact OG1-N 3.43Å; T197-I200 VanDerWaalsContact OG1-N 3.13Å; T197-I200 PolarHBondContact OG1-O 3.08Å; I200-V202 HydrophobicContact CG2-CG2 3.73Å
201S93.1Very high86Confident70 Ų7073.5 Ų73.549%0.4941%0.408SS..EExtended strand (participates in β ladder)trans-119.7122.6166-172.10000109.7M195M195-S201 WeakPolarHBondContact O-CA 3.39Å
202V95Very high82.8Confident43 Ų4381.5 Ų81.526%0.26145%0.45SS..EExtended strand (participates in β ladder)trans-117.4120.4176.3-178.40000108.7M174 M177 T194 M195 I200M174-V202 HydrophobicContact CE-CG1 4.2Å; M177-V202 HydrophobicContact CE-CG2 4.14Å; M177-V202 HydrophobicContact SD-CB 4.38Å; M177-V202 HydrophobicContact SD-CG2 3.56Å; M177-V202 VanDerWaalsContact SD-CG2 3.56Å; T194-V202 CarbonylContact C-O 3.51Å; T194-V202 WeakPolarHBondContact CA-O 3.42Å; M195-V202 PolarHBondContact N-O 2.88Å; M195-V202 PolarHBondContact O-N 2.84Å; I200-V202 HydrophobicContact CG2-CG2 3.73Å
203S95.8Very high79.5Confident49 Ų4985.5 Ų85.534%0.34348%0.479SS..EExtended strand (participates in β ladder)trans-118.8138.2177.7-54.60000110.5L193 T194L193-S203 CarbonylContact O-C 3.53Å; L193-S203 VanDerWaalsContact O-CA 3.31Å; L193-S203 WeakPolarHBondContact O-CA 3.49Å; T194-S203 WeakPolarHBondContact CG2-OG 3.28Å; T194-S203 PolarHBondContact OG1-OG 2.92Å
204T96.2Very high76.2Confident39 Ų3993 Ų9324%0.23952%0.519CS..EExtended strand (participates in β ladder)trans-123.4128173-58.60000109.3V170 T192 L193 F206V170-T204 HydrophobicContact CG1-CG2 3.95Å; V170-T204 WeakPolarHBondContact CG1-OG1 3.42Å; V170-T204 HydrophobicContact CG2-CG2 4.03Å; T192-T204 WeakPolarHBondContact CA-O 3.28Å; L193-T204 PolarHBondContact N-O 2.8Å; L193-T204 PolarHBondContact O-N 2.84Å; T204-F206 HydrophobicContact CG2-CD2 4.45Å; T204-F206 HydrophobicContact CG2-CE2 3.79Å; T204-F206 HydrophobicContact CG2-CZ 3.93Å
205F95.2Very high73Confident149 Ų14997 Ų9765%0.65455%0.548SS*.EExtended strand (participates in β ladder)trans-104.7129.5-175.7-55.7-85.4000110.1T192T192-F205 HydrophobicContact CG2-CD1 3.71Å; T192-F205 HydrophobicContact CG2-CE1 3.66Å; T192-F205 HydrophobicContact CG2-CZ 4.43Å; T192-F205 WeakPolarHBondContact OG1-CD1 3.47Å
206F94.4Very high70Confident25 Ų25102.4 Ų102.411%0.1158%0.581CS.*EExtended strand (participates in β ladder)trans-114111.3172.1-62-88.5000107.9P162 V166 V167 V170 E190 M191 L193 T204P162-F206 HydrophobicContact CB-CD1 3.93Å; P162-F206 HydrophobicContact CB-CE1 4.22Å; P162-F206 HydrophobicContact CG-CB 3.94Å; P162-F206 HydrophobicContact CG-CD1 3.51Å; P162-F206 HydrophobicContact CG-CE1 4.11Å; P162-F206 HydrophobicContact CG-CG 3.75Å; V166-F206 HydrophobicContact CG1-CE1 4.04Å; V167-F206 HydrophobicContact CG2-CE1 4.49Å; V167-F206 HydrophobicContact CG2-CZ 4.37Å; V170-F206 HydrophobicContact CG2-CZ 4.07Å; E190-F206 WeakPolarHBondContact CA-O 3.48Å; M191-F206 HydrophobicContact CB-CB 4.18Å; M191-F206 HydrophobicContact CE-CB 4.39Å; M191-F206 HydrophobicContact CE-CD2 3.43Å; M191-F206 VanDerWaalsContact CE-CD2 3.43Å; M191-F206 HydrophobicContact CE-CE2 3.76Å; M191-F206 HydrophobicContact CE-CG 3.92Å; M191-F206 HydrophobicContact CE-CZ 4.47Å; M191-F206 PolarHBondContact N-O 2.84Å; M191-F206 WeakPolarHBondContact O-CA 3.18Å; M191-F206 WeakPolarHBondContact O-CB 3.39Å; M191-F206 PolarHBondContact O-N 2.97Å; L193-F206 HydrophobicContact CD1-CE2 3.72Å; L193-F206 HydrophobicContact CD1-CZ 4.39Å; L193-F206 HydrophobicContact CG-CE2 3.99Å; T204-F206 HydrophobicContact CG2-CD2 4.45Å; T204-F206 HydrophobicContact CG2-CE2 3.79Å; T204-F206 HydrophobicContact CG2-CZ 3.93Å
207P90.3Very high67.2Low104 Ų10499.6 Ų99.668%0.67558%0.584SS**  trans-66.1162.717829-34.5000110.7S209P207-S209 PolarHBondContact O-N 3.42Å
208S80.7Confident64.6Low51 Ų51101.7 Ų101.736%0.35761%0.607SS.*  trans-57122.8179.360.10000111T188 G189 T210T188-S208 VanDerWaalsContact O-CB 3.28Å; T188-S208 WeakPolarHBondContact O-CB 3.5Å; G189-S208 WeakPolarHBondContact O-CA 3.38Å; S208-T210 PolarHBondContact O-N 2.76Å
209S59.5Low62Low70 Ų7097.7 Ų97.749%0.4959%0.593SS.*  trans-8160.2175.6560000110P207P207-S209 PolarHBondContact O-N 3.42Å
210T44.6Very low59.6Low115 Ų11596.8 Ų96.871%0.70659%0.588SS**  trans-136.892.3177.1-26.20000110.2S208S208-T210 PolarHBondContact O-N 2.76Å
211S30.1Very low57Low113 Ų11398.9 Ų98.979%0.7960%0.6SS**  trans-143.179.8144.477.40000109S213S211-S213 PolarHBondContact O-N 3.41Å
212L29.8Very low54Low172 Ų172102.4 Ų102.490%0.90161%0.614SS**  trans-74.4107.6145-145.877.6000104.5N214L212-N214 PolarHBondContact O-N 2.8Å
213S25.4Very low51.2Low103 Ų103107.2 Ų107.272%0.7264%0.643SS**  trans-50.2109.2-179.951.20000110.7S211S211-S213 PolarHBondContact O-N 3.41Å
214N29.4Very low48.1Very low159 Ų159112.8 Ų112.885%0.8567%0.669SS**  trans-120.8118.6146.9-85.2-16.8000107L212L212-N214 PolarHBondContact O-N 2.8Å
215S28.9Very low45Very low101 Ų101115 Ų11571%0.70669%0.691SS**  trans-46172171.145.70000113.7
216T31.7Very low41.9Very low117 Ų117114.9 Ų114.972%0.71870%0.703SS**  trans85.291.4158.136.30000117.6
217T33.3Very low38.8Very low122 Ų122119.1 Ų119.175%0.74873%0.731SS**  73.6124.8116.649.20000119.8
218A33.1Very low35.8Very low93 Ų93120.5 Ų120.577%0.76974%0.742SS**  trans73.314314000000114.7
219S35.1Very low33.5Very low91 Ų91123.5 Ų123.564%0.63676%0.758SS**  cis171.3161.6-2.340.30000104.1
220H39.4Very low32.7Very low159 Ų159128.6 Ų128.674%0.73677%0.771SS**  trans86.5101.6159.2-67.6-60.9000120.3
221N35Very low33.3Very low132 Ų132126 Ų12671%0.70676%0.757SS**  55.4117.7111.2-70.1-1.1000120
222N31.4Very low35.8Very low144 Ų144127.2 Ų127.277%0.7775%0.751SS**  38.6119.6128.6-67.9-2.1000117.8
223T36.2Very low38.7Very low144 Ų144121.5 Ų121.588%0.88373%0.725SS**  -173.2144.2113.421.10000111.5
224N30.5Very low42Very low165 Ų165116.8 Ų116.888%0.88269%0.692SS**  trans-55.2133177.9-60.5-33000112.7
225A31.6Very low45.2Very low86 Ų86110.4 Ų110.471%0.71166%0.66SS**  trans-145.3101.5155.600000109.9T227A225-T227 PolarHBondContact O-N 3.44Å; A225-T227 PolarHBondContact O-OG1 3.03Å
226T28.5Very low48.4Very low147 Ų147105.6 Ų105.690%0.90263%0.626SS**  trans-60.399.1167.1-44.60000109
227T30.7Very low51.5Low114 Ų114103.2 Ų103.270%0.69960%0.604SS**  trans-150.6103171.11.30000109.9A225 V229A225-T227 PolarHBondContact O-N 3.44Å; A225-T227 PolarHBondContact O-OG1 3.03Å; T227-V229 PolarHBondContact O-N 3Å
228C26.6Very low54.5Low132 Ų13297.4 Ų97.489%0.89257%0.568SS**  trans33.280.6157.7-132.10000115.4K230C228-K230 PolarHBondContact O-N 2.73Å
229V32.5Very low57.5Low115 Ų11594.8 Ų94.870%0.69754%0.54SS*.  trans-68.691.9-179.2-172.40000108.8T227 S231 E232T227-V229 PolarHBondContact O-N 3Å; V229-S231 PolarHBondContact O-N 2.98Å; V229-E232 HydrophobicContact CG1-CG 4.26Å
230K42.8Very low60.4Low176 Ų17690.6 Ų90.677%0.76551%0.511SS*.  trans-52.5112.6151.2-79.9-174.5177.6-177.40104.8C228 E232C228-K230 PolarHBondContact O-N 2.73Å; K230-E232 PolarHBondContact O-N 2.85Å; K230-E232 VanDerWaalsContact O-N 3.11Å
231S57.1Low63Low60 Ų6088.5 Ų88.542%0.4250%0.5SS..  trans-37.4120-174.546.80000109.8V229 S233V229-S231 PolarHBondContact O-N 2.98Å; S231-S233 VanDerWaalsContact CB-O 3.23Å; S231-S233 WeakPolarHBondContact CB-O 3.25Å; S231-S233 PolarHBondContact O-N 3.27Å; S231-S233 PolarHBondContact OG-O 2.85Å; S231-S233 VanDerWaalsContact OG-O 3.09Å
232E82.9Confident65.8Low140 Ų14082.8 Ų82.865%0.65447%0.468SS*.SBendtrans-63.8-10.4179.8-67.5-173.8159.200111.9T186 K187 V229 K230T186-E232 CarbonylContact C-O 3.55Å; T186-E232 WeakPolarHBondContact CA-O 3.35Å; K187-E232 PolarHBondContact N-O 3.16Å; V229-E232 HydrophobicContact CG1-CG 4.26Å; K230-E232 PolarHBondContact O-N 2.85Å; K230-E232 VanDerWaalsContact O-N 3.11Å
233S90.8Very high69Low52 Ų5276.3 Ų76.336%0.36443%0.433SS..EExtended strand (participates in β ladder)trans-122.2148.3175.160.10000112.1G185 S231G185-S233 CarbonylContact O-C 3.57Å; G185-S233 WeakPolarHBondContact O-CA 3.42Å; S231-S233 VanDerWaalsContact CB-O 3.23Å; S231-S233 WeakPolarHBondContact CB-O 3.25Å; S231-S233 PolarHBondContact O-N 3.27Å; S231-S233 PolarHBondContact OG-O 2.85Å; S231-S233 VanDerWaalsContact OG-O 3.09Å
234S95Very high71.8Confident3 Ų370.4 Ų70.42%0.02140%0.396CS..EExtended strand (participates in β ladder)trans-122.5149166.4-59.70000109.5E156 M184 G185 D263E156-S234 WeakPolarHBondContact CB-OG 3.48Å; M184-S234 WeakPolarHBondContact CA-O 3.34Å; G185-S234 PolarHBondContact N-O 3.34Å; G185-S234 PolarHBondContact O-N 2.99Å; S234-D263 VanDerWaalsContact CA-OD1 3.29Å; S234-D263 WeakPolarHBondContact CA-OD1 3.47Å
235S95.7Very high74.8Confident26 Ų2665 Ų6518%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-138.9152.3-175.8720000113.1V183 D263 D264V183-S235 CarbonylContact O-C 3.59Å; V183-S235 VanDerWaalsContact O-CA 3.27Å; V183-S235 WeakPolarHBondContact O-CA 3.3Å; S235-D263 PolarHBondContact N-OD1 3.42Å; S235-D263 WeakPolarHBondContact O-CA 3.32Å; S235-D264 PolarHBondContact O-N 2.76Å
236A96.3Very high77.9Confident0 Ų061 Ų610%033%0.333CS..EExtended strand (participates in β ladder)trans-144.9129.3170.900000110V183 I261 I267 A284V183-A236 PolarHBondContact N-O 3.02Å; V183-A236 PolarHBondContact O-N 3.11Å; A236-I261 HydrophobicContact CB-CG2 4.17Å; A236-I267 HydrophobicContact CB-CG2 3.7Å; A236-A284 HydrophobicContact CB-CB 4.35Å
237R96.6Very high81.2Confident66 Ų6654 Ų5425%0.24929%0.29CS..EExtended strand (participates in β ladder)trans-85.4116.1175.3-178.2-178.9178.3103.6-5.2109.2H180 L182 A284 V285H180-R237 HydrophobicContact CB-CG 4.15Å; L182-R237 HydrophobicContact CD1-CB 4.15Å; R237-A284 CarbonylContact O-C 3.59Å; R237-A284 WeakPolarHBondContact O-CA 3.24Å; R237-V285 PolarHBondContact O-N 2.84Å
238V96.5Very high84.2Confident0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-123.3155.4-175.9-60.70000111.9H180 V181 V183 I240 L243 I267 I282H180-V238 WeakPolarHBondContact CA-O 3.19Å; V181-V238 HydrophobicContact CG1-CG2 3.89Å; V181-V238 PolarHBondContact N-O 3.32Å; V181-V238 PolarHBondContact O-N 3.45Å; V183-V238 HydrophobicContact CG2-CG2 3.94Å; V238-I240 PolarHBondContact O-N 3.02Å; V238-L243 HydrophobicContact CG2-CB 4.44Å; V238-L243 HydrophobicContact CG2-CD2 4.31Å; V238-I267 HydrophobicContact CG1-CD1 4.06Å; V238-I267 HydrophobicContact CG1-CG1 4.04Å; V238-I267 HydrophobicContact CG1-CG2 4.19Å; V238-I267 HydrophobicContact CG2-CD1 4.12Å; V238-I282 HydrophobicContact CB-CG2 3.95Å; V238-I282 HydrophobicContact CG1-CB 4.48Å; V238-I282 HydrophobicContact CG1-CG2 4.09Å
239E95.4Very high87.4Confident38 Ų3845 Ų4518%0.17823%0.232CC..EExtended strand (participates in β ladder)trans-67.5129.3171.1-67.7-179.6-109.100110.9N50 Q179 K241 W242 L243 V285N50-E239 PolarHBondContact ND2-OE1 2.88Å; Q179-E239 WeakPolarHBondContact O-CA 3.48Å; E239-K241 PolarHBondContact O-N 2.88Å; E239-W242 HydrophobicContact CB-CG 4.41Å; E239-W242 PolarHBondContact O-N 2.95Å; E239-W242 PolarHBondContact OE1-NE1 3.33Å; E239-W242 PolarHBondContact OE2-NE1 2.85Å; E239-L243 PolarHBondContact O-N 2.81Å; E239-V285 HydrophobicContact CG-CG2 3.82Å
240I95.8Very high90.2Very high3 Ų347 Ų472%0.01523%0.234CC..Hα-helixtrans-58.1-36.7178.8-78.2170.5000111.1I171 M174 K175 G178 Q179 V181 V238 W242 L243 M244I171-I240 HydrophobicContact CG2-CG1 4.48Å; I171-I240 HydrophobicContact CG2-CG2 3.65Å; M174-I240 HydrophobicContact CB-CD1 4.29Å; K175-I240 HydrophobicContact CB-CG2 3.87Å; K175-I240 HydrophobicContact CD-CG2 4.43Å; K175-I240 HydrophobicContact CG-CG2 3.93Å; G178-I240 WeakPolarHBondContact O-CD1 3.32Å; Q179-I240 WeakPolarHBondContact O-CB 3.16Å; Q179-I240 PolarHBondContact O-N 3.28Å; V181-I240 HydrophobicContact CB-CD1 4.2Å; V181-I240 HydrophobicContact CB-CG1 3.81Å; V181-I240 HydrophobicContact CG1-CG1 3.78Å; V238-I240 PolarHBondContact O-N 3.02Å; I240-W242 VanDerWaalsContact C-N 3.34Å; I240-W242 PolarHBondContact O-N 2.98Å; I240-L243 PolarHBondContact O-N 2.87Å; I240-M244 WeakPolarHBondContact O-CB 3.49Å; I240-M244 PolarHBondContact O-N 2.74Å
241K94.6Very high92.4Very high115 Ų11541 Ų4150%0.521%0.21SC..Hα-helixtrans-53.5-48.9-178.5178.3-172.5170.9-165.20112.3E239 M244 M245E239-K241 PolarHBondContact O-N 2.88Å; K241-M244 PolarHBondContact O-N 3.14Å; K241-M245 WeakPolarHBondContact O-CG 3.5Å; K241-M245 PolarHBondContact O-N 3.43Å
242W95.3Very high93.8Very high12 Ų1239.8 Ų39.85%0.04520%0.201CC..Hα-helixtrans-75.7-42-174.6-51.6134.8000111.6V48 Q52 E239 I240 M244 M245 F246 I282V48-W242 WeakPolarHBondContact O-CH2 3.18Å; V48-W242 VanDerWaalsContact O-CZ2 3.31Å; V48-W242 WeakPolarHBondContact O-CZ2 3.33Å; Q52-W242 VanDerWaalsContact CD-CE3 3.4Å; Q52-W242 HydrophobicContact CG-CB 4.37Å; Q52-W242 HydrophobicContact CG-CD2 4.47Å; Q52-W242 HydrophobicContact CG-CG 4.2Å; Q52-W242 VanDerWaalsContact NE2-CG 3.27Å; Q52-W242 VanDerWaalsContact NE2-CH2 3.29Å; Q52-W242 VanDerWaalsContact OE1-CE3 3.25Å; E239-W242 HydrophobicContact CB-CG 4.41Å; E239-W242 PolarHBondContact O-N 2.95Å; E239-W242 PolarHBondContact OE1-NE1 3.33Å; E239-W242 PolarHBondContact OE2-NE1 2.85Å; I240-W242 VanDerWaalsContact C-N 3.34Å; I240-W242 PolarHBondContact O-N 2.98Å; W242-M244 PolarHBondContact O-N 3.17Å; W242-M245 HydrophobicContact CE3-SD 3.41Å; W242-M245 HydrophobicContact CZ3-CE 4.4Å; W242-M245 HydrophobicContact CZ3-SD 3.58Å; W242-M245 VanDerWaalsContact CZ3-SD 3.58Å; W242-M245 WeakPolarHBondContact O-CB 3.34Å; W242-M245 PolarHBondContact O-N 3.21Å; W242-M245 VanDerWaalsContact O-N 3.13Å; W242-F246 PolarHBondContact O-N 2.65Å; W242-I282 HydrophobicContact CB-CD1 3.96Å; W242-I282 HydrophobicContact CB-CG1 4.34Å; W242-I282 HydrophobicContact CB-CG2 3.95Å
243L96.7Very high93.9Very high8 Ų838.3 Ų38.34%0.04221%0.206CC..Hα-helixtrans-59.3-39.9172.5-178.659.9000110.4I171 V181 V183 V238 E239 I240 M245 F246 L247 I267 L269 I282I171-L243 HydrophobicContact CD1-CD2 3.82Å; I171-L243 HydrophobicContact CG1-CD2 4.04Å; V181-L243 HydrophobicContact CG1-CD2 3.77Å; V183-L243 HydrophobicContact CG2-CD2 4.22Å; V238-L243 HydrophobicContact CG2-CB 4.44Å; V238-L243 HydrophobicContact CG2-CD2 4.31Å; E239-L243 PolarHBondContact O-N 2.81Å; I240-L243 PolarHBondContact O-N 2.87Å; L243-M245 VanDerWaalsContact C-N 3.34Å; L243-M245 PolarHBondContact O-N 2.78Å; L243-F246 PolarHBondContact O-N 3.03Å; L243-L247 HydrophobicContact CD1-CD1 4.18Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CD2-CD1 4.39Å; L243-L247 HydrophobicContact CG-CD1 3.82Å; L243-L247 HydrophobicContact CG-CG 4.25Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.44Å; L243-L247 PolarHBondContact O-N 2.62Å; L243-I267 HydrophobicContact CD1-CD1 4.11Å; L243-L269 HydrophobicContact CD1-CD1 4.09Å; L243-I282 HydrophobicContact CB-CD1 4.17Å
244M95.5Very high93.6Very high21 Ų2143.3 Ų43.310%0.10322%0.223CC..Hα-helixtrans-70.2-28.8179.2-157.759.5-97.500112.9Q168 I171 I240 K241 W242 L247 S248Q168-M244 HydrophobicContact CB-CE 3.57Å; Q168-M244 HydrophobicContact CG-CE 3.29Å; Q168-M244 HydrophobicContact CG-SD 4.32Å; I171-M244 HydrophobicContact CB-SD 3.91Å; I171-M244 HydrophobicContact CG2-CB 4.29Å; I171-M244 HydrophobicContact CG2-CG 4.38Å; I171-M244 HydrophobicContact CG2-SD 3.54Å; I171-M244 VanDerWaalsContact CG2-SD 3.54Å; I240-M244 WeakPolarHBondContact O-CB 3.49Å; I240-M244 PolarHBondContact O-N 2.74Å; K241-M244 PolarHBondContact O-N 3.14Å; W242-M244 PolarHBondContact O-N 3.17Å; M244-L247 HydrophobicContact CE-CB 3.51Å; M244-L247 HydrophobicContact CE-CD1 4.41Å; M244-S248 WeakPolarHBondContact CE-OG 3.43Å; M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 2.72Å; M244-S248 VanDerWaalsContact O-N 3.17Å; M244-S248 PolarHBondContact O-OG 2.59Å
245M94.9Very high93.4Very high52 Ų5244 Ų4426%0.25623%0.229SC..Hα-helixtrans-63.3-46170.3-74.8174.661.600110.9K25 L26 K241 W242 L243 S248K25-M245 WeakPolarHBondContact O-CE 3.5Å; L26-M245 HydrophobicContact CD2-CB 4.4Å; K241-M245 WeakPolarHBondContact O-CG 3.5Å; K241-M245 PolarHBondContact O-N 3.43Å; W242-M245 HydrophobicContact CE3-SD 3.41Å; W242-M245 HydrophobicContact CZ3-CE 4.4Å; W242-M245 HydrophobicContact CZ3-SD 3.58Å; W242-M245 VanDerWaalsContact CZ3-SD 3.58Å; W242-M245 WeakPolarHBondContact O-CB 3.34Å; W242-M245 PolarHBondContact O-N 3.21Å; W242-M245 VanDerWaalsContact O-N 3.13Å; L243-M245 VanDerWaalsContact C-N 3.34Å; L243-M245 PolarHBondContact O-N 2.78Å; M245-S248 PolarHBondContact O-N 2.87Å
246F96.7Very high93.2Very high0 Ų050.8 Ų50.80%025%0.25CS..Hα-helixtrans-63.8-48175.6-175-91000113.1L26 L161 L164 W242 L243 S248 I249 L269 V271 L278 Y280L26-F246 HydrophobicContact CD1-CD2 4.45Å; L26-F246 HydrophobicContact CD2-CB 4.16Å; L26-F246 HydrophobicContact CD2-CD2 4.33Å; L161-F246 HydrophobicContact CD1-CE1 3.98Å; L164-F246 HydrophobicContact CD1-CE1 4.27Å; L164-F246 HydrophobicContact CD2-CE1 4.28Å; W242-F246 PolarHBondContact O-N 2.65Å; L243-F246 PolarHBondContact O-N 3.03Å; F246-S248 PolarHBondContact O-N 2.81Å; F246-S248 VanDerWaalsContact O-N 3.11Å; F246-I249 HydrophobicContact CD1-CD1 4.5Å; F246-I249 HydrophobicContact CD2-CD1 4.07Å; F246-I249 HydrophobicContact CE1-CD1 4.31Å; F246-I249 HydrophobicContact CE2-CD1 3.87Å; F246-I249 HydrophobicContact CG-CD1 4.39Å; F246-I249 HydrophobicContact CZ-CD1 4Å; F246-I249 WeakPolarHBondContact O-CD1 3.14Å; F246-I249 WeakPolarHBondContact O-CG1 3.41Å; F246-I249 WeakPolarHBondContact O-CG2 3.34Å; F246-I249 PolarHBondContact O-N 3.05Å; F246-I249 VanDerWaalsContact O-N 3.15Å; F246-L269 HydrophobicContact CB-CD1 4Å; F246-L269 HydrophobicContact CD1-CB 4.28Å; F246-L269 HydrophobicContact CD1-CD1 3.85Å; F246-L269 HydrophobicContact CD1-CD2 4.15Å; F246-L269 HydrophobicContact CD1-CG 4.33Å; F246-L269 HydrophobicContact CD2-CB 4Å; F246-L269 HydrophobicContact CD2-CD1 4.17Å; F246-L269 HydrophobicContact CE1-CB 4.02Å; F246-L269 HydrophobicContact CE1-CD1 4.37Å; F246-L269 HydrophobicContact CE1-CD2 3.99Å; F246-L269 HydrophobicContact CE1-CG 4.36Å; F246-L269 HydrophobicContact CE2-CB 3.7Å; F246-L269 HydrophobicContact CG-CB 4.27Å; F246-L269 HydrophobicContact CG-CD1 3.74Å; F246-L269 HydrophobicContact CG-CG 4.48Å; F246-L269 HydrophobicContact CZ-CB 3.72Å; F246-L269 HydrophobicContact CZ-CD2 4.49Å; F246-V271 HydrophobicContact CE2-CG2 3.87Å; F246-V271 HydrophobicContact CZ-CG2 3.61Å; F246-L278 HydrophobicContact CE2-CD2 4.14Å; F246-Y280 HydrophobicContact CB-CD1 3.83Å; F246-Y280 HydrophobicContact CB-CE1 3.83Å; F246-Y280 AromaticContact CD2-CD1 3.65Å; F246-Y280 HydrophobicContact CD2-CD1 3.65Å; F246-Y280 HydrophobicContact CD2-CE1 4.47Å; F246-Y280 HydrophobicContact CD2-CG 4.23Å; F246-Y280 HydrophobicContact CG-CD1 4.06Å
247L95.9Very high93.2Very high1 Ų151.2 Ų51.21%0.00525%0.254CS..Hα-helixtrans-67.1-14.4-178.7-65.5175.1000113.6L164 V167 Q168 I171 L243 M244L164-L247 HydrophobicContact CB-CD2 4.42Å; L164-L247 HydrophobicContact CD2-CD2 3.93Å; V167-L247 HydrophobicContact CB-CD1 4.15Å; V167-L247 HydrophobicContact CB-CD2 3.88Å; V167-L247 HydrophobicContact CG1-CD1 3.62Å; V167-L247 HydrophobicContact CG1-CD2 3.82Å; V167-L247 HydrophobicContact CG1-CG 4.37Å; Q168-L247 HydrophobicContact CB-CB 4.08Å; I171-L247 HydrophobicContact CB-CD1 4.16Å; I171-L247 HydrophobicContact CG1-CD1 3.66Å; L243-L247 HydrophobicContact CD1-CD1 4.18Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CD2-CD1 4.39Å; L243-L247 HydrophobicContact CG-CD1 3.82Å; L243-L247 HydrophobicContact CG-CG 4.25Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 3.44Å; L243-L247 PolarHBondContact O-N 2.62Å; M244-L247 HydrophobicContact CE-CB 3.51Å; M244-L247 HydrophobicContact CE-CD1 4.41Å
248S94Very high93.1Very high47 Ų4750 Ų5033%0.32925%0.254SS..THydrogen-bonded Turntrans-86.1-4177-59.90000114.1Q168 M244 M245 F246Q168-S248 PolarHBondContact NE2-OG 2.94Å; Q168-S248 VanDerWaalsContact NE2-OG 3.12Å; M244-S248 WeakPolarHBondContact CE-OG 3.43Å; M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 2.72Å; M244-S248 VanDerWaalsContact O-N 3.17Å; M244-S248 PolarHBondContact O-OG 2.59Å; M245-S248 PolarHBondContact O-N 2.87Å; F246-S248 PolarHBondContact O-N 2.81Å; F246-S248 VanDerWaalsContact O-N 3.11Å
249I94.3Very high93.1Very high10 Ų1050 Ų505%0.05125%0.254CS..  trans-70.1146.517872.7-166.9000111V22 K25 L26 L164 F246 L251 V271V22-I249 HydrophobicContact CG1-CB 4.05Å; V22-I249 HydrophobicContact CG1-CD1 4.17Å; V22-I249 HydrophobicContact CG1-CG2 3.98Å; V22-I249 HydrophobicContact CG2-CB 4.44Å; K25-I249 HydrophobicContact CB-CG2 4.09Å; L26-I249 HydrophobicContact CD2-CG2 4.05Å; L26-I249 HydrophobicContact CG-CG2 4.27Å; L164-I249 HydrophobicContact CD1-CD1 3.97Å; L164-I249 HydrophobicContact CD1-CG1 3.71Å; F246-I249 HydrophobicContact CD1-CD1 4.5Å; F246-I249 HydrophobicContact CD2-CD1 4.07Å; F246-I249 HydrophobicContact CE1-CD1 4.31Å; F246-I249 HydrophobicContact CE2-CD1 3.87Å; F246-I249 HydrophobicContact CG-CD1 4.39Å; F246-I249 HydrophobicContact CZ-CD1 4Å; F246-I249 WeakPolarHBondContact O-CD1 3.14Å; F246-I249 WeakPolarHBondContact O-CG1 3.41Å; F246-I249 WeakPolarHBondContact O-CG2 3.34Å; F246-I249 PolarHBondContact O-N 3.05Å; F246-I249 VanDerWaalsContact O-N 3.15Å; I249-L251 HydrophobicContact CD1-CD2 3.7Å; I249-L251 HydrophobicContact CD1-CG 4.22Å; I249-L251 HydrophobicContact CG1-CD2 3.86Å; I249-L251 HydrophobicContact CG1-CG 4.05Å; I249-V271 HydrophobicContact CD1-CG2 4.05Å
250Q90.8Very high93.1Very high158 Ų15848.3 Ų48.374%0.73825%0.247SC*.  trans-97.9108.9173.5-66.9-176.6-500109
251L90.1Very high93.2Very high48 Ų4848.1 Ų48.125%0.25125%0.246SC..  trans-87.3145.4178.3-66.1-172.5000111.6L164 I249 A255 A257 V271L164-L251 HydrophobicContact CD1-CD1 3.57Å; L164-L251 HydrophobicContact CD1-CG 3.91Å; L164-L251 HydrophobicContact CG-CD1 4.22Å; I249-L251 HydrophobicContact CD1-CD2 3.7Å; I249-L251 HydrophobicContact CD1-CG 4.22Å; I249-L251 HydrophobicContact CG1-CD2 3.86Å; I249-L251 HydrophobicContact CG1-CG 4.05Å; L251-A255 HydrophobicContact CB-CB 4.1Å; L251-A255 HydrophobicContact CD1-CB 4.48Å; L251-A257 HydrophobicContact CD1-CB 3.96Å; L251-V271 HydrophobicContact CD1-CG1 4.21Å; L251-V271 HydrophobicContact CD1-CG2 4.28Å; L251-V271 HydrophobicContact CD2-CB 4.42Å; L251-V271 HydrophobicContact CD2-CG1 3.57Å; L251-V271 HydrophobicContact CD2-CG2 3.96Å
252P86.9Confident93.2Very high36 Ų3642.7 Ų42.723%0.23422%0.222CC..  trans-56.1154.8164.7-22.532.8000111.9H254 A255P252-H254 PolarHBondContact O-N 3.27Å; P252-H254 VanDerWaalsContact O-N 3.15Å; P252-A255 HydrophobicContact CB-CB 4.35Å; P252-A255 HydrophobicContact CG-CB 4.43Å; P252-A255 WeakPolarHBondContact O-CB 3.34Å; P252-A255 PolarHBondContact O-N 2.9Å
253S84.1Confident93.2Very high109 Ų10944.6 Ų44.676%0.76223%0.233SC*.THydrogen-bonded Turntrans-56.5-31.2-178.946.50000114.3
254H85.2Confident93Very high156 Ų15648.7 Ų48.772%0.72226%0.255SS*.THydrogen-bonded Turntrans-94.8-2.5-178-55.2-69.1000113.5P252P252-H254 PolarHBondContact O-N 3.27Å; P252-H254 VanDerWaalsContact O-N 3.15Å
255A90.7Very high92.9Very high17 Ų1755.3 Ų55.314%0.1428%0.279CS..  trans-78.3138.4179.700000110.7L251 P252 V271 V272 C273L251-A255 HydrophobicContact CB-CB 4.1Å; L251-A255 HydrophobicContact CD1-CB 4.48Å; P252-A255 HydrophobicContact CB-CB 4.35Å; P252-A255 HydrophobicContact CG-CB 4.43Å; P252-A255 WeakPolarHBondContact O-CB 3.34Å; P252-A255 PolarHBondContact O-N 2.9Å; A255-V271 HydrophobicContact CB-CG1 4.24Å; A255-V272 WeakPolarHBondContact CA-O 3.38Å; A255-C273 HydrophobicContact CB-CB 4.27Å
256R91.3Very high93Very high169 Ų16954.2 Ų54.264%0.63827%0.274SS*.EExtended strand (participates in β ladder)trans-108.7139.3173.7-68.5-177.4-73167.6-2.8109.4L160 V271 V272L160-R256 HydrophobicContact CD1-CB 4.26Å; R256-V271 WeakPolarHBondContact O-CA 3.47Å; R256-V272 PolarHBondContact N-O 2.86Å; R256-V272 PolarHBondContact O-N 3.01Å
257A95Very high93Very high9 Ų954.2 Ų54.27%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-113.3132.617500000109.5L160 L161 L164 L251 C270L160-A257 WeakPolarHBondContact CD1-O 3.44Å; L161-A257 HydrophobicContact CB-CB 4.19Å; L161-A257 WeakPolarHBondContact CB-O 3.45Å; L161-A257 HydrophobicContact CD1-CB 3.91Å; L161-A257 PolarHBondContact N-O 3.04Å; L164-A257 HydrophobicContact CD2-CB 3.94Å; L251-A257 HydrophobicContact CD1-CB 3.96Å; A257-C270 CarbonylContact C-O 3.56Å; A257-C270 WeakPolarHBondContact CA-O 3.42Å
258V95Very high93.1Very high40 Ų4055.3 Ų55.324%0.24228%0.279CS..EExtended strand (participates in β ladder)trans-124.5144.2-177.3175.70000108.4T158 L159 L160 L269 C270T158-V258 HydrophobicContact CG2-CG1 3.29Å; L159-V258 CarbonylContact O-C 3.53Å; L159-V258 VanDerWaalsContact O-CA 3.31Å; L159-V258 WeakPolarHBondContact O-CA 3.1Å; L159-V258 WeakPolarHBondContact O-CG1 3.42Å; L160-V258 HydrophobicContact CD1-CG2 4.36Å; V258-L269 WeakPolarHBondContact O-CA 3.26Å; V258-C270 PolarHBondContact N-O 2.84Å; V258-C270 PolarHBondContact O-N 2.79Å
259V96.5Very high93.2Very high1 Ų153.1 Ų53.11%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-117.4118.6170.261.80000109.5T158 L159 L161 M191 I261 I267 H268 L269T158-V259 CarbonylContact C-O 3.52Å; T158-V259 WeakPolarHBondContact CA-O 3.37Å; L159-V259 HydrophobicContact CB-CG1 3.93Å; L159-V259 PolarHBondContact N-O 2.97Å; L159-V259 PolarHBondContact O-N 2.9Å; L161-V259 HydrophobicContact CD1-CB 4.29Å; L161-V259 HydrophobicContact CD2-CB 3.94Å; L161-V259 HydrophobicContact CD2-CG1 3.65Å; L161-V259 HydrophobicContact CG-CB 3.99Å; L161-V259 HydrophobicContact CG-CG1 3.94Å; M191-V259 HydrophobicContact SD-CG1 4.32Å; V259-I261 HydrophobicContact CG2-CG1 4.34Å; V259-I267 HydrophobicContact CG2-CB 4.18Å; V259-H268 CarbonylContact C-O 3.57Å; V259-H268 WeakPolarHBondContact CA-O 3.11Å; V259-L269 HydrophobicContact CB-CD2 3.86Å; V259-L269 HydrophobicContact CG2-CD2 3.77Å
260G96.4Very high93.3Very high2 Ų253.4 Ų53.42%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-92.9129.2164.300000109.3V157 I267 H268V157-G260 CarbonylContact O-C 3.56Å; V157-G260 WeakPolarHBondContact O-CA 3.5Å; G260-I267 CarbonylContact O-C 3.44Å; G260-I267 WeakPolarHBondContact O-CA 3.15Å; G260-H268 PolarHBondContact N-O 2.89Å; G260-H268 PolarHBondContact O-N 3.06Å
261I96.9Very high93.5Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-104122.6175.6-57.8172.2000107.4P155 E156 V157 V183 G185 A236 V259 I267P155-I261 WeakPolarHBondContact CA-O 3.28Å; P155-I261 WeakPolarHBondContact CB-O 3.49Å; E156-I261 PolarHBondContact N-O 3.3Å; E156-I261 VanDerWaalsContact N-O 3.13Å; V157-I261 PolarHBondContact O-N 3.46Å; V183-I261 HydrophobicContact CG1-CD1 4.06Å; V183-I261 HydrophobicContact CG1-CG1 4.48Å; G185-I261 VanDerWaalsContact N-CD1 3.29Å; A236-I261 HydrophobicContact CB-CG2 4.17Å; V259-I261 HydrophobicContact CG2-CG1 4.34Å; I261-I267 HydrophobicContact CG1-CG2 4.35Å
262V95.3Very high93.5Very high1 Ų146.6 Ų46.61%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-102.7109.8169.2-174.10000107.4P155 E156 D264 R265 L266P155-V262 HydrophobicContact CB-CG2 4.31Å; P155-V262 HydrophobicContact CG-CG2 4.31Å; E156-V262 WeakPolarHBondContact OE2-CA 3.46Å; V262-D264 PolarHBondContact O-N 2.92Å; V262-R265 HydrophobicContact CB-CB 4.4Å; V262-R265 HydrophobicContact CG1-CB 3.98Å; V262-R265 VanDerWaalsContact CG1-CZ 3.45Å; V262-R265 VanDerWaalsContact CG1-NE 3.27Å; V262-R265 PolarHBondContact O-N 2.75Å; V262-L266 HydrophobicContact CB-CD1 3.94Å; V262-L266 HydrophobicContact CB-CG 4.02Å; V262-L266 HydrophobicContact CG2-CD1 3.55Å; V262-L266 HydrophobicContact CG2-CG 4.12Å; V262-L266 PolarHBondContact N-O 2.81Å; V262-L266 PolarHBondContact O-N 3.02Å; V262-L266 VanDerWaalsContact O-N 3.16Å; V262-L266 VanDerWaalsContact O-O 3.12Å
263D94.2Very high93.5Very high51 Ų5146 Ų4627%0.27323%0.234SC..THydrogen-bonded Turntrans-50.3125.1-166.4-15746.4000112.1E156 S234 S235 R265E156-D263 PolarHBondContact OE2-N 2.75Å; S234-D263 VanDerWaalsContact CA-OD1 3.29Å; S234-D263 WeakPolarHBondContact CA-OD1 3.47Å; S235-D263 PolarHBondContact N-OD1 3.42Å; S235-D263 WeakPolarHBondContact O-CA 3.32Å; D263-R265 WeakPolarHBondContact O-CG 3.46Å; D263-R265 PolarHBondContact O-N 2.94Å
264D93.1Very high93.7Very high95 Ų9549.2 Ų49.251%0.50824%0.237SC..THydrogen-bonded Turntrans51.513.2-177.2-70.8-31.3000116.7S235 V262S235-D264 PolarHBondContact O-N 2.76Å; V262-D264 PolarHBondContact O-N 2.92Å
265R94.5Very high93.8Very high159 Ų15942.9 Ų42.960%0.621%0.208SC*.THydrogen-bonded Turntrans-117.2-50.3-176-70.1-167.7-67167.5-2.4114.2V262 D263 A284V262-R265 HydrophobicContact CB-CB 4.4Å; V262-R265 HydrophobicContact CG1-CB 3.98Å; V262-R265 VanDerWaalsContact CG1-CZ 3.45Å; V262-R265 VanDerWaalsContact CG1-NE 3.27Å; V262-R265 PolarHBondContact O-N 2.75Å; D263-R265 WeakPolarHBondContact O-CG 3.46Å; D263-R265 PolarHBondContact O-N 2.94Å; R265-A284 VanDerWaalsContact C-CB 3.42Å; R265-A284 VanDerWaalsContact O-CB 3.32Å; R265-A284 WeakPolarHBondContact O-CB 3.33Å; R265-A284 PolarHBondContact O-N 3.21Å
266L96.2Very high93.9Very high29 Ų2942.8 Ų42.815%0.15220%0.204CC..EExtended strand (participates in β ladder)trans-167.7166.4-178.659.183000112L153 V262 H268 L281 I282L153-L266 HydrophobicContact CD1-CD1 4.1Å; L153-L266 HydrophobicContact CD2-CD1 4.38Å; L153-L266 HydrophobicContact CD2-CD2 4.06Å; V262-L266 HydrophobicContact CB-CD1 3.94Å; V262-L266 HydrophobicContact CB-CG 4.02Å; V262-L266 HydrophobicContact CG2-CD1 3.55Å; V262-L266 HydrophobicContact CG2-CG 4.12Å; V262-L266 PolarHBondContact N-O 2.81Å; V262-L266 PolarHBondContact O-N 3.02Å; V262-L266 VanDerWaalsContact O-N 3.16Å; V262-L266 VanDerWaalsContact O-O 3.12Å; L266-H268 HydrophobicContact CD1-CB 4.25Å; L266-L281 HydrophobicContact CD1-CD2 4.4Å; L266-I282 WeakPolarHBondContact CA-O 3.42Å; L266-I282 WeakPolarHBondContact CB-O 3.49Å
267I97.2Very high94Very high1 Ų139.2 Ų39.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-110.3142158.167.5179.8000110.5V183 A236 V238 L243 V259 G260 I261 L269 I282V183-I267 HydrophobicContact CB-CG2 4.33Å; V183-I267 HydrophobicContact CG2-CD1 4.36Å; A236-I267 HydrophobicContact CB-CG2 3.7Å; V238-I267 HydrophobicContact CG1-CD1 4.06Å; V238-I267 HydrophobicContact CG1-CG1 4.04Å; V238-I267 HydrophobicContact CG1-CG2 4.19Å; V238-I267 HydrophobicContact CG2-CD1 4.12Å; L243-I267 HydrophobicContact CD1-CD1 4.11Å; V259-I267 HydrophobicContact CG2-CB 4.18Å; G260-I267 CarbonylContact O-C 3.44Å; G260-I267 WeakPolarHBondContact O-CA 3.15Å; I261-I267 HydrophobicContact CG1-CG2 4.35Å; I267-L269 HydrophobicContact CD1-CD1 4.06Å; I267-L269 HydrophobicContact CD1-CG 4.31Å; I267-L269 HydrophobicContact CG1-CD1 4.41Å; I267-L269 HydrophobicContact CG1-CG 4.42Å; I267-I282 HydrophobicContact CD1-CB 4.4Å; I267-I282 HydrophobicContact CD1-CD1 4.16Å; I267-I282 HydrophobicContact CG1-CB 3.86Å; I267-I282 HydrophobicContact CG1-CD1 4.4Å; I267-I282 HydrophobicContact CG1-CG1 4.29Å; I267-I282 PolarHBondContact N-O 2.77Å; I267-I282 PolarHBondContact O-N 3.4Å
268H97.1Very high94.1Very high24 Ų2438.8 Ų38.811%0.11119%0.187CC..EExtended strand (participates in β ladder)trans-110.7109.8175176.2-155.6000109.4L153 V259 G260 L266 Q279 L281L153-H268 HydrophobicContact CD1-CB 3.89Å; V259-H268 CarbonylContact C-O 3.57Å; V259-H268 WeakPolarHBondContact CA-O 3.11Å; G260-H268 PolarHBondContact N-O 2.89Å; G260-H268 PolarHBondContact O-N 3.06Å; L266-H268 HydrophobicContact CD1-CB 4.25Å; H268-Q279 PolarHBondContact CE1-OE1 2.63Å; H268-Q279 PolarHBondContact NE2-OE1 2.8Å; H268-L281 HydrophobicContact CB-CD2 3.68Å; H268-L281 VanDerWaalsContact CD2-CD2 3.42Å; H268-L281 WeakPolarHBondContact CD2-CD2 3.46Å
269L97.1Very high94.1Very high1 Ų136.9 Ų36.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-99.4119.9179.4-65.4161.3000109L161 L243 F246 V258 V259 I267 Q279 Y280 I282L161-L269 HydrophobicContact CD1-CD2 3.76Å; L243-L269 HydrophobicContact CD1-CD1 4.09Å; F246-L269 HydrophobicContact CB-CD1 4Å; F246-L269 HydrophobicContact CD1-CB 4.28Å; F246-L269 HydrophobicContact CD1-CD1 3.85Å; F246-L269 HydrophobicContact CD1-CD2 4.15Å; F246-L269 HydrophobicContact CD1-CG 4.33Å; F246-L269 HydrophobicContact CD2-CB 4Å; F246-L269 HydrophobicContact CD2-CD1 4.17Å; F246-L269 HydrophobicContact CE1-CB 4.02Å; F246-L269 HydrophobicContact CE1-CD1 4.37Å; F246-L269 HydrophobicContact CE1-CD2 3.99Å; F246-L269 HydrophobicContact CE1-CG 4.36Å; F246-L269 HydrophobicContact CE2-CB 3.7Å; F246-L269 HydrophobicContact CG-CB 4.27Å; F246-L269 HydrophobicContact CG-CD1 3.74Å; F246-L269 HydrophobicContact CG-CG 4.48Å; F246-L269 HydrophobicContact CZ-CB 3.72Å; F246-L269 HydrophobicContact CZ-CD2 4.49Å; V258-L269 WeakPolarHBondContact O-CA 3.26Å; V259-L269 HydrophobicContact CB-CD2 3.86Å; V259-L269 HydrophobicContact CG2-CD2 3.77Å; I267-L269 HydrophobicContact CD1-CD1 4.06Å; I267-L269 HydrophobicContact CD1-CG 4.31Å; I267-L269 HydrophobicContact CG1-CD1 4.41Å; I267-L269 HydrophobicContact CG1-CG 4.42Å; L269-Q279 CarbonylContact O-C 3.55Å; L269-Y280 HydrophobicContact CB-CD1 4.48Å; L269-Y280 HydrophobicContact CD1-CD1 3.88Å; L269-Y280 HydrophobicContact CD1-CE1 4.42Å; L269-Y280 PolarHBondContact N-O 2.86Å; L269-Y280 PolarHBondContact O-N 2.9Å; L269-I282 HydrophobicContact CD1-CD1 3.71Å; L269-I282 HydrophobicContact CD1-CG1 4.21Å
270C95.5Very high94.2Very high16 Ų1636.9 Ų36.911%0.10818%0.176CC..EExtended strand (participates in β ladder)trans-121.2129.6-178.2-173.70000110.5A257 V258 L278A257-C270 CarbonylContact C-O 3.56Å; A257-C270 WeakPolarHBondContact CA-O 3.42Å; V258-C270 PolarHBondContact N-O 2.84Å; V258-C270 PolarHBondContact O-N 2.79Å; C270-L278 CarbonylContact C-O 3.55Å; C270-L278 WeakPolarHBondContact CA-O 3.24Å
271V95Very high94.2Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-106.4123.7169.4178.90000107.9F246 I249 L251 A255 R256 Y276 R277 L278F246-V271 HydrophobicContact CE2-CG2 3.87Å; F246-V271 HydrophobicContact CZ-CG2 3.61Å; I249-V271 HydrophobicContact CD1-CG2 4.05Å; L251-V271 HydrophobicContact CD1-CG1 4.21Å; L251-V271 HydrophobicContact CD1-CG2 4.28Å; L251-V271 HydrophobicContact CD2-CB 4.42Å; L251-V271 HydrophobicContact CD2-CG1 3.57Å; L251-V271 HydrophobicContact CD2-CG2 3.96Å; A255-V271 HydrophobicContact CB-CG1 4.24Å; R256-V271 WeakPolarHBondContact O-CA 3.47Å; V271-Y276 HydrophobicContact CG1-CE2 4.05Å; V271-R277 WeakPolarHBondContact O-CA 3.22Å; V271-L278 HydrophobicContact CB-CB 4.27Å; V271-L278 HydrophobicContact CG2-CD2 4.26Å; V271-L278 PolarHBondContact N-O 2.97Å; V271-L278 PolarHBondContact O-N 2.91Å
272V89.5Confident94.1Very high63 Ų6337.4 Ų37.438%0.38218%0.178SC..EExtended strand (participates in β ladder)trans-115.8120.9176.1-173.90000109.1A255 R256A255-V272 WeakPolarHBondContact CA-O 3.38Å; R256-V272 PolarHBondContact N-O 2.86Å; R256-V272 PolarHBondContact O-N 3.01Å
273C87.9Confident94.2Very high24 Ų2439.2 Ų39.216%0.16219%0.19CC..  trans-128.2164.2175.3170.70000107.9A255 D275 Y276A255-C273 HydrophobicContact CB-CB 4.27Å; C273-D275 PolarHBondContact O-N 3.09Å; C273-D275 PolarHBondContact SG-N 3.08Å; C273-Y276 HydrophobicContact CB-CD1 4.03Å; C273-Y276 HydrophobicContact CB-CE1 3.9Å; C273-Y276 HydrophobicContact CB-CG 4.42Å; C273-Y276 WeakPolarHBondContact CB-O 2.99Å; C273-Y276 PolarHBondContact N-O 2.88Å; C273-Y276 VanDerWaalsContact N-O 3.11Å
274E87.7Confident94.2Very high175 Ų17537.8 Ų37.882%0.81819%0.185SC*.SBendtrans-61.3-34.4173.5-65.6-17716700112.5
275D88.8Confident94.1Very high23 Ų2335.1 Ų35.112%0.12317%0.172CC..SBendtrans-92.5-26.4-172-62.3-53.1000113.7K15 F58 S59 S62 F63 C273K15-D275 WeakPolarHBondContact CD-OD2 3.47Å; K15-D275 VanDerWaalsContact CE-OD2 3.32Å; K15-D275 WeakPolarHBondContact CE-OD2 3.34Å; K15-D275 VanDerWaalsContact NZ-CG 3.3Å; K15-D275 IonicContact NZ-OD1 3.47Å; K15-D275 PolarHBondContact NZ-OD1 3.48Å; K15-D275 IonicContact NZ-OD2 2.83Å; K15-D275 PolarHBondContact NZ-OD2 3.33Å; F58-D275 WeakPolarHBondContact CA-O 3.47Å; F58-D275 WeakPolarHBondContact CB-O 3.14Å; S59-D275 PolarHBondContact N-O 2.83Å; S59-D275 VanDerWaalsContact N-O 3.16Å; S62-D275 WeakPolarHBondContact CB-OD1 3.31Å; S62-D275 PolarHBondContact OG-OD1 2.83Å; F63-D275 HydrophobicContact CE2-CB 4.16Å; F63-D275 HydrophobicContact CZ-CB 3.83Å; C273-D275 PolarHBondContact O-N 3.09Å; C273-D275 PolarHBondContact SG-N 3.08Å
276Y92.2Very high93.4Very high15 Ų1534.5 Ų34.56%0.05918%0.18CC..EExtended strand (participates in β ladder)trans-153.4154.2-175.570.5-90.7000113.3L19 D57 V271 C273 L278L19-Y276 HydrophobicContact CD1-CD1 3.78Å; L19-Y276 HydrophobicContact CD1-CD2 3.5Å; L19-Y276 HydrophobicContact CD1-CE1 4.07Å; L19-Y276 HydrophobicContact CD1-CE2 3.82Å; L19-Y276 HydrophobicContact CD1-CG 3.48Å; L19-Y276 VanDerWaalsContact CD1-CG 3.48Å; D57-Y276 CarbonylContact O-C 3.52Å; D57-Y276 VanDerWaalsContact O-CA 3.27Å; D57-Y276 WeakPolarHBondContact O-CA 3.25Å; D57-Y276 WeakPolarHBondContact O-CB 3.43Å; V271-Y276 HydrophobicContact CG1-CE2 4.05Å; C273-Y276 HydrophobicContact CB-CD1 4.03Å; C273-Y276 HydrophobicContact CB-CE1 3.9Å; C273-Y276 HydrophobicContact CB-CG 4.42Å; C273-Y276 WeakPolarHBondContact CB-O 2.99Å; C273-Y276 PolarHBondContact N-O 2.88Å; C273-Y276 VanDerWaalsContact N-O 3.11Å; Y276-L278 HydrophobicContact CD2-CB 4.15Å; Y276-L278 HydrophobicContact CE2-CB 4.17Å
277R93.9Very high91.8Very high94 Ų9443.2 Ų43.236%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-117.3125.9169.4178.7-177.6173.9-160.1-3.7108.3C56 D57 D150 V271 Q279C56-R277 WeakPolarHBondContact CA-O 3.39Å; D57-R277 PolarHBondContact N-O 3.5Å; D57-R277 PolarHBondContact O-N 2.87Å; D150-R277 IonicContact OD1-CZ 3.77Å; D150-R277 IonicContact OD1-NH1 3.82Å; D150-R277 PolarHBondContact OD1-NH1 3.37Å; D150-R277 IonicContact OD1-NH2 2.83Å; D150-R277 IonicContact OD2-CZ 2.99Å; D150-R277 IonicContact OD2-NH1 3.6Å; D150-R277 PolarHBondContact OD2-NH1 2.93Å; D150-R277 IonicContact OD2-NH2 2.78Å; V271-R277 WeakPolarHBondContact O-CA 3.22Å; R277-Q279 HydrophobicContact CG-CG 4.39Å
278L95.8Very high91.5Very high0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-122.1126.8177.5178.6147.5000109.7V22 V23 L26 L54 I55 C56 F246 C270 V271 Y276V22-L278 HydrophobicContact CG1-CD1 3.75Å; V23-L278 HydrophobicContact CG2-CD1 4.04Å; L26-L278 HydrophobicContact CD1-CD1 4.05Å; L26-L278 HydrophobicContact CD1-CD2 3.78Å; L26-L278 HydrophobicContact CD1-CG 4.46Å; L54-L278 HydrophobicContact CD1-CD1 4.04Å; L54-L278 HydrophobicContact CD1-CD2 3.83Å; L54-L278 HydrophobicContact CD1-CG 3.77Å; I55-L278 WeakPolarHBondContact O-CA 3.39Å; C56-L278 HydrophobicContact CB-CB 4.47Å; C56-L278 HydrophobicContact CB-CD1 4.34Å; C56-L278 HydrophobicContact CB-CG 4.45Å; F246-L278 HydrophobicContact CE2-CD2 4.14Å; C270-L278 CarbonylContact C-O 3.55Å; C270-L278 WeakPolarHBondContact CA-O 3.24Å; V271-L278 HydrophobicContact CB-CB 4.27Å; V271-L278 HydrophobicContact CG2-CD2 4.26Å; V271-L278 PolarHBondContact N-O 2.97Å; V271-L278 PolarHBondContact O-N 2.91Å; Y276-L278 HydrophobicContact CD2-CB 4.15Å; Y276-L278 HydrophobicContact CE2-CB 4.17Å
279Q96.4Very high91.2Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-119.9128.7-179.1-65.1179.696.900109.2L54 I55 D150 F151 H268 L269 R277L54-Q279 CarbonylContact C-O 3.46Å; L54-Q279 VanDerWaalsContact CA-O 3.27Å; L54-Q279 WeakPolarHBondContact CA-O 3.36Å; I55-Q279 PolarHBondContact N-O 3.41Å; I55-Q279 PolarHBondContact O-N 3.4Å; D150-Q279 PolarHBondContact OD1-NE2 3.13Å; F151-Q279 HydrophobicContact CD2-CB 3.92Å; F151-Q279 HydrophobicContact CE2-CB 3.71Å; H268-Q279 PolarHBondContact CE1-OE1 2.63Å; H268-Q279 PolarHBondContact NE2-OE1 2.8Å; L269-Q279 CarbonylContact O-C 3.55Å; R277-Q279 HydrophobicContact CG-CG 4.39Å
280Y96.6Very high90.9Very high0 Ų048.9 Ų48.90%026%0.257CS..EExtended strand (participates in β ladder)trans-133.1123.8-177.1-178.9-123.7000110.1L26 Q52 K53 L54 F246 L269 I282L26-Y280 HydrophobicContact CD2-CE1 4.39Å; Q52-Y280 HydrophobicContact CB-CE2 4.15Å; Q52-Y280 VanDerWaalsContact CD-OH 3.3Å; Q52-Y280 HydrophobicContact CG-CE2 4.24Å; Q52-Y280 PolarHBondContact OE1-OH 3.35Å; K53-Y280 CarbonylContact O-C 3.6Å; K53-Y280 WeakPolarHBondContact O-CA 3.26Å; K53-Y280 VanDerWaalsContact O-CD2 3.28Å; K53-Y280 WeakPolarHBondContact O-CD2 3.2Å; L54-Y280 HydrophobicContact CB-CD2 4.27Å; L54-Y280 HydrophobicContact CD1-CD2 4.09Å; L54-Y280 HydrophobicContact CD1-CG 4.45Å; F246-Y280 HydrophobicContact CB-CD1 3.83Å; F246-Y280 HydrophobicContact CB-CE1 3.83Å; F246-Y280 AromaticContact CD2-CD1 3.65Å; F246-Y280 HydrophobicContact CD2-CD1 3.65Å; F246-Y280 HydrophobicContact CD2-CE1 4.47Å; F246-Y280 HydrophobicContact CD2-CG 4.23Å; F246-Y280 HydrophobicContact CG-CD1 4.06Å; L269-Y280 HydrophobicContact CB-CD1 4.48Å; L269-Y280 HydrophobicContact CD1-CD1 3.88Å; L269-Y280 HydrophobicContact CD1-CE1 4.42Å; L269-Y280 PolarHBondContact N-O 2.86Å; L269-Y280 PolarHBondContact O-N 2.9Å; Y280-I282 HydrophobicContact CD1-CD1 4.15Å; Y280-I282 HydrophobicContact CD1-CG1 3.96Å; Y280-I282 HydrophobicContact CE1-CD1 3.55Å; Y280-I282 HydrophobicContact CE1-CG1 3.52Å
281L96.4Very high90.6Very high12 Ų1250.9 Ų50.96%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-103.9134.6179.1-57.4-173000110.4Q52 K53 F151 L153 L266 H268Q52-L281 VanDerWaalsContact CA-O 3.28Å; Q52-L281 WeakPolarHBondContact CA-O 2.99Å; K53-L281 HydrophobicContact CB-CB 4.28Å; K53-L281 HydrophobicContact CB-CD1 4.28Å; K53-L281 HydrophobicContact CB-CG 4.37Å; K53-L281 PolarHBondContact N-O 3.31Å; K53-L281 PolarHBondContact O-N 3.35Å; F151-L281 HydrophobicContact CB-CD1 4.27Å; F151-L281 HydrophobicContact CD1-CD1 3.59Å; F151-L281 HydrophobicContact CD1-CG 4.36Å; F151-L281 HydrophobicContact CD2-CD1 3.79Å; F151-L281 HydrophobicContact CD2-CD2 3.8Å; F151-L281 HydrophobicContact CD2-CG 3.71Å; F151-L281 HydrophobicContact CE1-CD1 3.73Å; F151-L281 HydrophobicContact CE1-CG 4.28Å; F151-L281 HydrophobicContact CE2-CD1 3.93Å; F151-L281 HydrophobicContact CE2-CD2 4.11Å; F151-L281 HydrophobicContact CE2-CG 3.62Å; F151-L281 HydrophobicContact CG-CD1 3.62Å; F151-L281 HydrophobicContact CG-CD2 4.28Å; F151-L281 HydrophobicContact CG-CG 4.09Å; F151-L281 HydrophobicContact CZ-CD1 3.89Å; F151-L281 HydrophobicContact CZ-CG 3.91Å; L153-L281 HydrophobicContact CD1-CD1 4.14Å; L153-L281 HydrophobicContact CD1-CD2 3.43Å; L153-L281 VanDerWaalsContact CD1-CD2 3.43Å; L153-L281 HydrophobicContact CD1-CG 4.45Å; L266-L281 HydrophobicContact CD1-CD2 4.4Å; H268-L281 HydrophobicContact CB-CD2 3.68Å; H268-L281 VanDerWaalsContact CD2-CD2 3.42Å; H268-L281 WeakPolarHBondContact CD2-CD2 3.46Å
282I96.5Very high90.3Very high1 Ų154.1 Ų54.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-123110.1170.1-48.4-178.2000107.5V238 W242 L243 L266 I267 L269 Y280V238-I282 HydrophobicContact CB-CG2 3.95Å; V238-I282 HydrophobicContact CG1-CB 4.48Å; V238-I282 HydrophobicContact CG1-CG2 4.09Å; W242-I282 HydrophobicContact CB-CD1 3.96Å; W242-I282 HydrophobicContact CB-CG1 4.34Å; W242-I282 HydrophobicContact CB-CG2 3.95Å; L243-I282 HydrophobicContact CB-CD1 4.17Å; L266-I282 WeakPolarHBondContact CA-O 3.42Å; L266-I282 WeakPolarHBondContact CB-O 3.49Å; I267-I282 HydrophobicContact CD1-CB 4.4Å; I267-I282 HydrophobicContact CD1-CD1 4.16Å; I267-I282 HydrophobicContact CG1-CB 3.86Å; I267-I282 HydrophobicContact CG1-CD1 4.4Å; I267-I282 HydrophobicContact CG1-CG1 4.29Å; I267-I282 PolarHBondContact N-O 2.77Å; I267-I282 PolarHBondContact O-N 3.4Å; L269-I282 HydrophobicContact CD1-CD1 3.71Å; L269-I282 HydrophobicContact CD1-CG1 4.21Å; Y280-I282 HydrophobicContact CD1-CD1 4.15Å; Y280-I282 HydrophobicContact CD1-CG1 3.96Å; Y280-I282 HydrophobicContact CE1-CD1 3.55Å; Y280-I282 HydrophobicContact CE1-CG1 3.52Å
283P95.7Very high90.4Very high40 Ų4053.5 Ų53.526%0.2628%0.275SS..EExtended strand (participates in β ladder)trans-59.4149.5175-25.737000112.3N50 G51N50-P283 WeakPolarHBondContact O-CG 2.87Å; G51-P283 WeakPolarHBondContact O-CG 3.44Å
284A95.1Very high90.6Very high21 Ų2155.6 Ų55.617%0.17428%0.283CS..  trans-73.6144.5170.500000110A236 R237 R265A236-A284 HydrophobicContact CB-CB 4.35Å; R237-A284 CarbonylContact O-C 3.59Å; R237-A284 WeakPolarHBondContact O-CA 3.24Å; R265-A284 VanDerWaalsContact C-CB 3.42Å; R265-A284 VanDerWaalsContact O-CB 3.32Å; R265-A284 WeakPolarHBondContact O-CB 3.33Å; R265-A284 PolarHBondContact O-N 3.21Å
285V91.8Very high90.8Very high39 Ų3946.4 Ų46.424%0.23624%0.242CC..  trans-92.6115.8170-175.20000107.1R237 E239R237-V285 PolarHBondContact O-N 2.84Å; E239-V285 HydrophobicContact CG-CG2 3.82Å
286L78.3Confident91Very high145 Ų14548.3 Ų48.376%0.75925%0.252SS*.  trans-64.4142.2172.6-64.8172000109.5
287L63Low90.9Very high212 Ų21251.4 Ų51.4100%1.1127%0.27SS*.  trans-64.20174.3-72.7169.6000111.8

Retrieved 287 of 287 residues in 170 ms (Link to these results)

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