A0A3Q0KG69_SCHMA Loading...

Mitotic spindle assembly checkpoint protein mad2-related

AlphaFold DB , UniProt , Accession A0A3Q0KG69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M38.6Very low62.6Low224 Ų224100.4 Ų100.4100%1.10360%0.595SS**  0109.10-67.1-71.1178.100106.4T3M1-T3 PolarHBondContact O-N 2.99Å; M1-T3 VanDerWaalsContact O-N 3.1Å
2P43.4Very low65Low124 Ų124101.3 Ų101.381%0.80559%0.586SS**  trans-66.2110.4163.210.82.6000105.2E4P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 2.94Å
3T44.4Very low67.2Low125 Ų12595 Ų9577%0.76756%0.556SS**  trans-52.1108.2163.6-38.90000104.6M1 T5M1-T3 PolarHBondContact O-N 2.99Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-T5 PolarHBondContact O-N 2.62Å
4E49.2Very low69.1Low183 Ų18388.2 Ų88.286%0.85552%0.517SS*.  trans-52.2106.4165-80.6-179.4155.500104.1P2 A6P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 2.94Å; E4-A6 PolarHBondContact O-N 3.32Å
5T49.5Very low70.9Confident130 Ų13082.3 Ų82.380%0.79848%0.482SS*.  trans-61.887.6167.933.50000103.8T3 S7T3-T5 PolarHBondContact O-N 2.62Å; T5-S7 PolarHBondContact O-N 3.19Å
6A55.7Low72.4Confident48 Ų4882.4 Ų82.440%0.39748%0.476SS..  trans-44.5115.6170.700000104.5E4 A8E4-A6 PolarHBondContact O-N 3.32Å; A6-A8 VanDerWaalsContact C-N 3.26Å; A6-A8 VanDerWaalsContact O-CA 3.26Å; A6-A8 WeakPolarHBondContact O-CA 3.38Å; A6-A8 WeakPolarHBondContact O-CB 3.45Å; A6-A8 PolarHBondContact O-N 2.87Å
7S62.2Low73.8Confident96 Ų9679.3 Ų79.367%0.67146%0.457SS*.  trans-50.996.3-173.8-62.10000108.5T5 I9T5-S7 PolarHBondContact O-N 3.19Å; S7-I9 PolarHBondContact O-N 2.88Å
8A75.9Confident75.1Confident46 Ų4674.9 Ų74.938%0.3843%0.432SS..  trans-79.3115.3-158.800000106.7A6 S10 V113 G114A6-A8 VanDerWaalsContact C-N 3.26Å; A6-A8 VanDerWaalsContact O-CA 3.26Å; A6-A8 WeakPolarHBondContact O-CA 3.38Å; A6-A8 WeakPolarHBondContact O-CB 3.45Å; A6-A8 PolarHBondContact O-N 2.87Å; A8-S10 PolarHBondContact O-N 3.34Å; A8-V113 HydrophobicContact CB-CB 3.51Å; A8-V113 HydrophobicContact CB-CG1 4.28Å; A8-V113 HydrophobicContact CB-CG2 3.63Å; A8-G114 WeakPolarHBondContact CA-O 3.17Å; A8-G114 WeakPolarHBondContact CB-O 3.46Å
9I87.7Confident76.3Confident15 Ų1571.7 Ų71.78%0.07741%0.414CS..  trans-64.7132.4-173.7-170169.5000109.2S7 L17 V113 G114 L118 L185S7-I9 PolarHBondContact O-N 2.88Å; I9-L17 HydrophobicContact CD1-CB 4.21Å; I9-L17 HydrophobicContact CD1-CD1 3.82Å; I9-V113 CarbonylContact O-C 3.58Å; I9-V113 WeakPolarHBondContact O-CA 3.45Å; I9-G114 PolarHBondContact O-N 3.19Å; I9-L118 HydrophobicContact CD1-CD2 4.05Å; I9-L185 HydrophobicContact CG2-CD1 4.29Å; I9-L185 VanDerWaalsContact O-CD1 3.27Å; I9-L185 WeakPolarHBondContact O-CD1 3.49Å
10S91.3Very high77.4Confident59 Ų5970.7 Ų70.741%0.41341%0.407SS..BIsolated β-bridgetrans-77.8167.1174.564.90000110.9A8 K12 G13 S14 L185A8-S10 PolarHBondContact O-N 3.34Å; S10-K12 VanDerWaalsContact C-N 3.28Å; S10-K12 PolarHBondContact O-N 3.4Å; S10-G13 PolarHBondContact O-N 3.31Å; S10-G13 VanDerWaalsContact O-N 3.14Å; S10-G13 PolarHBondContact OG-N 3.16Å; S10-S14 WeakPolarHBondContact O-CB 3.18Å; S10-S14 PolarHBondContact O-N 3.24Å; S10-L185 VanDerWaalsContact C-CD1 3.46Å
11L90.6Very high78.3Confident54 Ų5467.3 Ų67.328%0.28339%0.387SS..Hα-helixtrans-54.1-46.6173.2-174.269000111.9S14 A15 E75 L185 H186L11-S14 WeakPolarHBondContact O-CB 3.36Å; L11-S14 PolarHBondContact O-N 3.31Å; L11-A15 PolarHBondContact O-N 3.38Å; L11-E75 WeakPolarHBondContact CD2-O 3.37Å; L11-L185 HydrophobicContact CD1-CB 4.39Å; L11-H186 WeakPolarHBondContact CD1-CE1 3.27Å
12K92.1Very high81.2Confident112 Ų11256.6 Ų56.649%0.48734%0.335SS..Hα-helixtrans-62-45.1175.2-175.7174-175.8177.60112.5S10 S14 A15 E16S10-K12 VanDerWaalsContact C-N 3.28Å; S10-K12 PolarHBondContact O-N 3.4Å; K12-S14 VanDerWaalsContact C-N 3.26Å; K12-S14 PolarHBondContact O-N 3.1Å; K12-A15 PolarHBondContact O-N 2.88Å; K12-E16 WeakPolarHBondContact CE-OE1 3.38Å; K12-E16 WeakPolarHBondContact O-CG 3.29Å; K12-E16 PolarHBondContact O-N 2.58Å
13G93Very high83.8Confident19 Ų1952.1 Ų52.120%0.19630%0.303CS..Hα-helixtrans-62.3-35.2176.600000112.3S10 L17S10-G13 PolarHBondContact O-N 3.31Å; S10-G13 VanDerWaalsContact O-N 3.14Å; S10-G13 PolarHBondContact OG-N 3.16Å; G13-L17 VanDerWaalsContact O-CB 3.3Å; G13-L17 WeakPolarHBondContact O-CB 3.45Å; G13-L17 PolarHBondContact O-N 3.31Å
14S94.2Very high86.3Confident0 Ų047.4 Ų47.40%027%0.271CS..Hα-helixtrans-67.7-45.4175.3174.80000111.5S10 L11 K12 E16 L17 L18 T183 H186S10-S14 WeakPolarHBondContact O-CB 3.18Å; S10-S14 PolarHBondContact O-N 3.24Å; L11-S14 WeakPolarHBondContact O-CB 3.36Å; L11-S14 PolarHBondContact O-N 3.31Å; K12-S14 VanDerWaalsContact C-N 3.26Å; K12-S14 PolarHBondContact O-N 3.1Å; S14-E16 VanDerWaalsContact C-N 3.33Å; S14-E16 PolarHBondContact O-N 2.88Å; S14-L17 PolarHBondContact O-N 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.11Å; S14-L18 PolarHBondContact O-N 2.79Å; S14-T183 WeakPolarHBondContact OG-CB 2.9Å; S14-T183 PolarHBondContact OG-OG1 2.97Å; S14-H186 PolarHBondContact OG-ND1 3.25Å
15A95.2Very high88.6Confident0 Ų038.7 Ų38.70%023%0.23CC..Hα-helixtrans-59.9-42.7174.300000111.9L11 K12 L18 T19 K71 L74 E75L11-A15 PolarHBondContact O-N 3.38Å; K12-A15 PolarHBondContact O-N 2.88Å; A15-L18 PolarHBondContact O-N 2.8Å; A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.25Å; A15-T19 PolarHBondContact O-N 3.08Å; A15-T19 PolarHBondContact O-OG1 3.04Å; A15-K71 HydrophobicContact CB-CG 4.34Å; A15-L74 HydrophobicContact CB-CB 3.76Å; A15-L74 HydrophobicContact CB-CD1 4.41Å; A15-E75 HydrophobicContact CB-CG 3.59Å
16E96.2Very high90.9Very high84 Ų8432.5 Ų32.539%0.39319%0.192SC..Hα-helixtrans-60.7-47.6174.8-76176.2175.100112.3K12 S14 T19 D20 K71K12-E16 WeakPolarHBondContact CE-OE1 3.38Å; K12-E16 WeakPolarHBondContact O-CG 3.29Å; K12-E16 PolarHBondContact O-N 2.58Å; S14-E16 VanDerWaalsContact C-N 3.33Å; S14-E16 PolarHBondContact O-N 2.88Å; E16-T19 PolarHBondContact O-N 3.34Å; E16-D20 WeakPolarHBondContact O-CB 3.2Å; E16-D20 PolarHBondContact O-N 2.87Å; E16-K71 HydrophobicContact CG-CD 4.28Å; E16-K71 IonicContact OE1-NZ 3.16Å; E16-K71 PolarHBondContact OE1-NZ 2.93Å
17L96.1Very high92.9Very high29 Ų2930.2 Ų30.215%0.15217%0.173CC..Hα-helixtrans-62.3-45.3179.1-177155.9000111.7I9 G13 S14 D20 Y21 L118 I121 I125 T183I9-L17 HydrophobicContact CD1-CB 4.21Å; I9-L17 HydrophobicContact CD1-CD1 3.82Å; G13-L17 VanDerWaalsContact O-CB 3.3Å; G13-L17 WeakPolarHBondContact O-CB 3.45Å; G13-L17 PolarHBondContact O-N 3.31Å; S14-L17 PolarHBondContact O-N 3.28Å; L17-D20 PolarHBondContact O-N 2.84Å; L17-Y21 WeakPolarHBondContact O-CB 3.3Å; L17-Y21 PolarHBondContact O-N 2.88Å; L17-L118 HydrophobicContact CD1-CD2 3.84Å; L17-I121 HydrophobicContact CD1-CG2 3.97Å; L17-I121 HydrophobicContact CD2-CG2 3.62Å; L17-I121 HydrophobicContact CG-CG2 4.48Å; L17-I125 HydrophobicContact CD2-CD1 3.77Å; L17-T183 HydrophobicContact CD2-CG2 4.2Å
18L97.2Very high94.5Very high0 Ų025.9 Ų25.90%014%0.143CC..Hα-helixtrans-68.5-37.8179.2-71.2-174.3000112.4S14 A15 Y21 F22 L74 I181 T183 H186 V188S14-L18 WeakPolarHBondContact O-CG 3.11Å; S14-L18 PolarHBondContact O-N 2.79Å; A15-L18 PolarHBondContact O-N 2.8Å; L18-Y21 WeakPolarHBondContact O-CB 3.32Å; L18-Y21 PolarHBondContact O-N 2.94Å; L18-F22 HydrophobicContact CB-CE2 4.18Å; L18-F22 HydrophobicContact CB-CZ 4.39Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 WeakPolarHBondContact O-CG 3.31Å; L18-F22 PolarHBondContact O-N 3.43Å; L18-L74 HydrophobicContact CB-CD1 4.07Å; L18-I181 HydrophobicContact CD2-CG2 4.4Å; L18-T183 HydrophobicContact CD2-CG2 4.23Å; L18-T183 HydrophobicContact CG-CG2 4.35Å; L18-H186 HydrophobicContact CD1-CB 3.34Å; L18-V188 HydrophobicContact CD1-CG2 3.71Å; L18-V188 HydrophobicContact CD2-CG2 3.79Å; L18-V188 HydrophobicContact CG-CG2 4.36Å
19T97.7Very high95.4Very high15 Ų1523.7 Ų23.79%0.09213%0.125CC..Hα-helixtrans-62.7-44.5176.4-57.70000111.3A15 E16 F22 F23 L67 K71A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.25Å; A15-T19 PolarHBondContact O-N 3.08Å; A15-T19 PolarHBondContact O-OG1 3.04Å; E16-T19 PolarHBondContact O-N 3.34Å; T19-F22 PolarHBondContact O-N 3.44Å; T19-F23 PolarHBondContact O-N 3.29Å; T19-F23 VanDerWaalsContact O-N 3.12Å; T19-L67 HydrophobicContact CG2-CB 3.8Å; T19-L67 WeakPolarHBondContact CG2-O 3.3Å; T19-K71 HydrophobicContact CG2-CB 4.13Å; T19-K71 WeakPolarHBondContact OG1-CB 3.22Å
20D97.3Very high95.8Very high50 Ų5023 Ų2327%0.26712%0.122SC..Hα-helixtrans-61.3-45.6173.5175.875.6000110.9E16 L17 F22 F23 Y24 K46 Y47E16-D20 WeakPolarHBondContact O-CB 3.2Å; E16-D20 PolarHBondContact O-N 2.87Å; L17-D20 PolarHBondContact O-N 2.84Å; D20-F22 PolarHBondContact O-N 3.27Å; D20-F23 WeakPolarHBondContact O-CB 3.43Å; D20-F23 PolarHBondContact O-N 3.45Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.27Å; D20-Y24 PolarHBondContact O-N 3.37Å; D20-K46 IonicContact OD1-NZ 2.79Å; D20-K46 PolarHBondContact OD1-NZ 2.9Å; D20-K46 WeakPolarHBondContact OD2-CE 3.5Å; D20-K46 IonicContact OD2-NZ 2.65Å; D20-K46 PolarHBondContact OD2-NZ 3.04Å; D20-Y47 PolarHBondContact OD2-OH 3.5Å
21Y97.7Very high95.9Very high0 Ų024.5 Ų24.50%012%0.119CC..Hα-helixtrans-56.3-47.5173.6159.5-110.8000112.5L17 L18 F23 Y24 A25 Y47 F100 I125 V128 I129 I181 H190L17-Y21 WeakPolarHBondContact O-CB 3.3Å; L17-Y21 PolarHBondContact O-N 2.88Å; L18-Y21 WeakPolarHBondContact O-CB 3.32Å; L18-Y21 PolarHBondContact O-N 2.94Å; Y21-F23 VanDerWaalsContact C-N 3.28Å; Y21-F23 PolarHBondContact O-N 2.94Å; Y21-Y24 PolarHBondContact O-N 2.88Å; Y21-Y24 VanDerWaalsContact O-N 3.12Å; Y21-A25 HydrophobicContact CD2-CB 4.43Å; Y21-A25 HydrophobicContact CE2-CB 3.87Å; Y21-A25 WeakPolarHBondContact O-CB 3.17Å; Y21-A25 PolarHBondContact O-N 2.99Å; Y21-Y47 WeakPolarHBondContact CA-OH 3.3Å; Y21-Y47 PolarHBondContact N-OH 3.47Å; Y21-Y47 VanDerWaalsContact N-OH 3.14Å; Y21-F100 HydrophobicContact CE1-CD1 4.29Å; Y21-F100 HydrophobicContact CE1-CE1 4.43Å; Y21-I125 HydrophobicContact CD2-CB 4.33Å; Y21-I125 HydrophobicContact CD2-CD1 4.5Å; Y21-I125 HydrophobicContact CD2-CG1 3.96Å; Y21-I125 HydrophobicContact CD2-CG2 3.63Å; Y21-I125 HydrophobicContact CE2-CG2 4.14Å; Y21-I125 HydrophobicContact CG-CD1 4.46Å; Y21-I125 HydrophobicContact CG-CG1 4.23Å; Y21-V128 WeakPolarHBondContact OH-CG1 3.4Å; Y21-I129 HydrophobicContact CE2-CG1 4.38Å; Y21-I181 HydrophobicContact CD1-CD1 4.05Å; Y21-I181 HydrophobicContact CD2-CD1 4.18Å; Y21-I181 HydrophobicContact CE1-CD1 3.58Å; Y21-I181 HydrophobicContact CE2-CD1 3.74Å; Y21-I181 HydrophobicContact CG-CD1 4.32Å; Y21-I181 VanDerWaalsContact CZ-CD1 3.41Å; Y21-H190 AromaticContact CE1-NE2 3.49Å; Y21-H190 WeakPolarHBondContact CE1-NE2 3.45Å; Y21-H190 AromaticContact CZ-NE2 3.49Å; Y21-H190 PolarHBondContact OH-CD2 3.45Å; Y21-H190 VanDerWaalsContact OH-CD2 3.32Å; Y21-H190 PolarHBondContact OH-NE2 2.74Å
22F98.4Very high96Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-59.2-39.9179.1-64.8-39.1000111.9L18 T19 D20 Y24 A25 L26 L67 V70 L74 L82 F100 M102 V188L18-F22 HydrophobicContact CB-CE2 4.18Å; L18-F22 HydrophobicContact CB-CZ 4.39Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 WeakPolarHBondContact O-CG 3.31Å; L18-F22 PolarHBondContact O-N 3.43Å; T19-F22 PolarHBondContact O-N 3.44Å; D20-F22 PolarHBondContact O-N 3.27Å; F22-Y24 VanDerWaalsContact C-N 3.33Å; F22-Y24 PolarHBondContact O-N 2.79Å; F22-A25 PolarHBondContact O-N 2.65Å; F22-L26 VanDerWaalsContact O-CB 3.3Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 WeakPolarHBondContact O-CG 3.4Å; F22-L26 PolarHBondContact O-N 2.89Å; F22-L67 HydrophobicContact CB-CD2 3.65Å; F22-L67 HydrophobicContact CD2-CD2 4.41Å; F22-L67 HydrophobicContact CG-CD2 4.48Å; F22-V70 HydrophobicContact CD2-CG1 4.23Å; F22-V70 HydrophobicContact CE2-CG1 4.11Å; F22-L74 HydrophobicContact CE2-CD1 4.14Å; F22-L82 HydrophobicContact CB-CD2 4.25Å; F22-L82 HydrophobicContact CD1-CD2 4.44Å; F22-L82 HydrophobicContact CD2-CD2 4.33Å; F22-L82 HydrophobicContact CG-CD2 4.12Å; F22-F100 HydrophobicContact CD1-CB 4.45Å; F22-F100 AromaticContact CD1-CD1 3.81Å; F22-F100 HydrophobicContact CD1-CD1 3.81Å; F22-F100 HydrophobicContact CD1-CE1 4.36Å; F22-F100 HydrophobicContact CD1-CG 4.22Å; F22-F100 HydrophobicContact CE1-CB 3.89Å; F22-F100 AromaticContact CE1-CD1 3.82Å; F22-F100 HydrophobicContact CE1-CD1 3.82Å; F22-F100 HydrophobicContact CE1-CG 4.1Å; F22-M102 HydrophobicContact CE2-SD 3.71Å; F22-M102 HydrophobicContact CZ-CE 4.4Å; F22-M102 HydrophobicContact CZ-CG 3.89Å; F22-M102 HydrophobicContact CZ-SD 3.56Å; F22-M102 VanDerWaalsContact CZ-SD 3.56Å; F22-V188 HydrophobicContact CE1-CG1 3.94Å; F22-V188 HydrophobicContact CE1-CG2 4.29Å; F22-V188 HydrophobicContact CZ-CG1 4.29Å; F22-V188 HydrophobicContact CZ-CG2 4.02Å
23F98.2Very high95.9Very high30 Ų3019 Ų1913%0.1329%0.092CC..Hα-helixtrans-56.3-47.7175-177.6-98.5000111.7T19 D20 Y21 N27 V53 L63 L67T19-F23 PolarHBondContact O-N 3.29Å; T19-F23 VanDerWaalsContact O-N 3.12Å; D20-F23 WeakPolarHBondContact O-CB 3.43Å; D20-F23 PolarHBondContact O-N 3.45Å; Y21-F23 VanDerWaalsContact C-N 3.28Å; Y21-F23 PolarHBondContact O-N 2.94Å; F23-N27 WeakPolarHBondContact CZ-ND2 3.13Å; F23-N27 WeakPolarHBondContact O-CB 3.45Å; F23-N27 PolarHBondContact O-N 3.45Å; F23-N27 PolarHBondContact O-ND2 2.84Å; F23-V53 HydrophobicContact CE1-CG1 3.49Å; F23-V53 VanDerWaalsContact CE1-CG1 3.49Å; F23-V53 HydrophobicContact CZ-CG1 3.8Å; F23-L63 HydrophobicContact CD2-CB 4.31Å; F23-L63 HydrophobicContact CD2-CD1 4.35Å; F23-L63 HydrophobicContact CE2-CB 4.3Å; F23-L63 HydrophobicContact CE2-CD1 4.12Å; F23-L67 HydrophobicContact CB-CD1 3.62Å; F23-L67 HydrophobicContact CD2-CD1 3.92Å; F23-L67 HydrophobicContact CG-CD1 4.28Å
24Y97.5Very high95.9Very high25 Ų2520.6 Ų20.610%0.09811%0.11CC..Hα-helixtrans-71.4-37179.4-75.3-77.6000113.5D20 Y21 F22 S28 N44 K46 Y47 V51 V53D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.27Å; D20-Y24 PolarHBondContact O-N 3.37Å; Y21-Y24 PolarHBondContact O-N 2.88Å; Y21-Y24 VanDerWaalsContact O-N 3.12Å; F22-Y24 VanDerWaalsContact C-N 3.33Å; F22-Y24 PolarHBondContact O-N 2.79Å; Y24-S28 WeakPolarHBondContact O-CB 3.46Å; Y24-S28 PolarHBondContact O-N 2.79Å; Y24-S28 PolarHBondContact O-OG 2.88Å; Y24-N44 WeakPolarHBondContact CE1-OD1 3.28Å; Y24-N44 PolarHBondContact OH-OD1 2.79Å; Y24-K46 HydrophobicContact CD1-CB 4.08Å; Y24-K46 HydrophobicContact CD1-CG 4.31Å; Y24-K46 HydrophobicContact CD2-CB 4.42Å; Y24-K46 HydrophobicContact CD2-CD 4.38Å; Y24-K46 HydrophobicContact CD2-CG 3.76Å; Y24-K46 HydrophobicContact CE1-CB 3.56Å; Y24-K46 HydrophobicContact CE1-CG 3.91Å; Y24-K46 HydrophobicContact CE2-CB 4.04Å; Y24-K46 HydrophobicContact CE2-CD 3.6Å; Y24-K46 HydrophobicContact CE2-CG 3.4Å; Y24-K46 VanDerWaalsContact CE2-CG 3.4Å; Y24-K46 HydrophobicContact CG-CB 4.45Å; Y24-K46 HydrophobicContact CG-CG 4.21Å; Y24-K46 VanDerWaalsContact CZ-CG 3.44Å; Y24-K46 WeakPolarHBondContact OH-CD 3.42Å; Y24-Y47 HydrophobicContact CD2-CE2 4.09Å; Y24-V51 HydrophobicContact CD1-CB 4.39Å; Y24-V51 HydrophobicContact CD1-CG2 3.41Å; Y24-V51 VanDerWaalsContact CD1-CG2 3.41Å; Y24-V51 HydrophobicContact CE1-CG2 3.64Å; Y24-V51 HydrophobicContact CG-CG2 4.5Å; Y24-V53 HydrophobicContact CD1-CG2 3.74Å; Y24-V53 HydrophobicContact CE1-CG2 3.5Å; Y24-V53 VanDerWaalsContact CE1-CG2 3.5Å
25A97.7Very high95.8Very high0 Ų021.9 Ų21.90%012%0.116CC..Hα-helixtrans-65.1-47.7176.700000111.3Y21 F22 S28 I29 F100 I132Y21-A25 HydrophobicContact CD2-CB 4.43Å; Y21-A25 HydrophobicContact CE2-CB 3.87Å; Y21-A25 WeakPolarHBondContact O-CB 3.17Å; Y21-A25 PolarHBondContact O-N 2.99Å; F22-A25 PolarHBondContact O-N 2.65Å; A25-S28 WeakPolarHBondContact O-CB 3.2Å; A25-S28 PolarHBondContact O-N 2.65Å; A25-I29 WeakPolarHBondContact O-CG1 3.24Å; A25-I29 PolarHBondContact O-N 3.04Å; A25-F100 HydrophobicContact CB-CE1 3.77Å; A25-F100 HydrophobicContact CB-CZ 4.05Å; A25-I132 HydrophobicContact CB-CD1 4.08Å
26L98.1Very high95.7Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-60.1-47.9176.3-69.9175.3000111.3F22 S28 I29 L30 L63 L67 L82 L84 F100 L148F22-L26 VanDerWaalsContact O-CB 3.3Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 WeakPolarHBondContact O-CG 3.4Å; F22-L26 PolarHBondContact O-N 2.89Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.76Å; L26-I29 PolarHBondContact O-N 3.38Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 2.95Å; L26-L63 HydrophobicContact CD1-CD2 4.03Å; L26-L67 HydrophobicContact CD1-CD2 4.26Å; L26-L82 HydrophobicContact CD1-CD2 4.35Å; L26-L84 HydrophobicContact CD2-CB 3.9Å; L26-L84 HydrophobicContact CD2-CD1 4.29Å; L26-L84 HydrophobicContact CD2-CD2 4.19Å; L26-L84 HydrophobicContact CD2-CG 4.37Å; L26-F100 HydrophobicContact CD2-CE2 4.09Å; L26-F100 HydrophobicContact CD2-CZ 4.43Å; L26-L148 HydrophobicContact CD1-CD1 4.14Å; L26-L148 HydrophobicContact CD1-CD2 4.22Å; L26-L148 HydrophobicContact CD2-CD2 3.75Å
27N97.2Very high95.4Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-58.6-42.5176-88.3-84.6000112.3F23 I29 L30 Y31 T54F23-N27 WeakPolarHBondContact CZ-ND2 3.13Å; F23-N27 WeakPolarHBondContact O-CB 3.45Å; F23-N27 PolarHBondContact O-N 3.45Å; F23-N27 PolarHBondContact O-ND2 2.84Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 2.86Å; N27-L30 PolarHBondContact O-N 3.01Å; N27-Y31 WeakPolarHBondContact O-CB 3.46Å; N27-Y31 PolarHBondContact O-N 3.19Å; N27-T54 WeakPolarHBondContact OD1-CB 3.48Å; N27-T54 VanDerWaalsContact OD1-CG2 3.31Å; N27-T54 WeakPolarHBondContact OD1-CG2 3.25Å; N27-T54 PolarHBondContact OD1-N 3.3Å
28S95.5Very high95.3Very high6 Ų627.7 Ų27.74%0.04216%0.157CC..Hα-helixtrans-60.8-43.6178.1-62.50000111.7Y24 A25 L26 Q32Y24-S28 WeakPolarHBondContact O-CB 3.46Å; Y24-S28 PolarHBondContact O-N 2.79Å; Y24-S28 PolarHBondContact O-OG 2.88Å; A25-S28 WeakPolarHBondContact O-CB 3.2Å; A25-S28 PolarHBondContact O-N 2.65Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.76Å; S28-Q32 WeakPolarHBondContact O-CB 3.06Å; S28-Q32 VanDerWaalsContact O-CD 3.23Å; S28-Q32 WeakPolarHBondContact O-CG 3.4Å; S28-Q32 PolarHBondContact O-N 2.88Å
29I95.3Very high95.1Very high0 Ų032 Ų320%019%0.192CC..Hα-helixtrans-66.5-51.1177.2-60.2159.9000110.1A25 L26 N27 Y31 Q32 R33 L84 I86 W98 F100 I132A25-I29 WeakPolarHBondContact O-CG1 3.24Å; A25-I29 PolarHBondContact O-N 3.04Å; L26-I29 PolarHBondContact O-N 3.38Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 2.86Å; I29-Y31 VanDerWaalsContact C-N 3.26Å; I29-Y31 PolarHBondContact O-N 3.47Å; I29-Q32 PolarHBondContact O-N 3.18Å; I29-Q32 VanDerWaalsContact O-N 3.15Å; I29-R33 HydrophobicContact CG2-CG 3.86Å; I29-R33 WeakPolarHBondContact O-CB 3.48Å; I29-R33 VanDerWaalsContact O-CG 3.27Å; I29-R33 WeakPolarHBondContact O-CG 3.34Å; I29-R33 PolarHBondContact O-N 2.62Å; I29-L84 HydrophobicContact CB-CD2 3.83Å; I29-L84 HydrophobicContact CD1-CD2 4.05Å; I29-L84 HydrophobicContact CG2-CD2 3.45Å; I29-L84 VanDerWaalsContact CG2-CD2 3.45Å; I29-I86 HydrophobicContact CG2-CD1 4.28Å; I29-W98 HydrophobicContact CD1-CB 4.17Å; I29-W98 HydrophobicContact CD1-CD2 3.69Å; I29-W98 HydrophobicContact CD1-CE3 3.6Å; I29-W98 HydrophobicContact CD1-CG 3.97Å; I29-W98 HydrophobicContact CD1-CZ3 4.2Å; I29-W98 HydrophobicContact CG1-CD2 4.1Å; I29-W98 HydrophobicContact CG1-CE3 4.07Å; I29-W98 HydrophobicContact CG1-CH2 4.43Å; I29-W98 HydrophobicContact CG1-CZ2 4.47Å; I29-W98 HydrophobicContact CG1-CZ3 4.25Å; I29-W98 HydrophobicContact CG2-CD2 4.09Å; I29-W98 HydrophobicContact CG2-CG 4.2Å; I29-W98 HydrophobicContact CG2-CZ2 4.21Å; I29-F100 HydrophobicContact CD1-CE2 4.44Å; I29-F100 HydrophobicContact CD1-CZ 3.9Å; I29-I132 HydrophobicContact CG1-CG2 3.62Å
30L95.5Very high95.1Very high0 Ų032.6 Ų32.60%020%0.197CC..Hα-helixtrans-56.9-40-178.8-68.3175.7000112.6L26 N27 G34 I35 F41 L59 L84 F146L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 2.95Å; N27-L30 PolarHBondContact O-N 3.01Å; L30-G34 PolarHBondContact O-N 3.26Å; L30-I35 HydrophobicContact CD2-CB 3.98Å; L30-I35 HydrophobicContact CD2-CG1 3.86Å; L30-I35 HydrophobicContact CD2-CG2 4.04Å; L30-I35 PolarHBondContact O-N 2.98Å; L30-F41 HydrophobicContact CB-CZ 4.29Å; L30-L59 HydrophobicContact CD1-CD1 4.05Å; L30-L59 HydrophobicContact CD1-CD2 4.05Å; L30-L84 HydrophobicContact CD2-CD1 4.15Å; L30-L84 HydrophobicContact CD2-CD2 4.48Å; L30-F146 HydrophobicContact CD1-CE2 4.37Å; L30-F146 HydrophobicContact CD1-CZ 4.19Å; L30-F146 HydrophobicContact CD2-CB 4.21Å; L30-F146 HydrophobicContact CD2-CD1 3.83Å; L30-F146 HydrophobicContact CD2-CD2 3.93Å; L30-F146 HydrophobicContact CD2-CE1 4.15Å; L30-F146 HydrophobicContact CD2-CE2 4.16Å; L30-F146 HydrophobicContact CD2-CG 3.68Å; L30-F146 HydrophobicContact CD2-CZ 4.27Å
31Y93.9Very high95.1Very high90 Ų9031 Ų3135%0.35319%0.188SC..Hα-helixtrans-66-52.3174.4172.7-99.4000112N27 I29 R33 G34 F41 L52N27-Y31 WeakPolarHBondContact O-CB 3.46Å; N27-Y31 PolarHBondContact O-N 3.19Å; I29-Y31 VanDerWaalsContact C-N 3.26Å; I29-Y31 PolarHBondContact O-N 3.47Å; Y31-R33 VanDerWaalsContact C-N 3.27Å; Y31-R33 PolarHBondContact O-N 2.87Å; Y31-G34 PolarHBondContact O-N 2.75Å; Y31-F41 HydrophobicContact CD2-CB 4.18Å; Y31-F41 HydrophobicContact CD2-CD1 4.32Å; Y31-F41 AromaticContact CD2-CD2 3.77Å; Y31-F41 HydrophobicContact CD2-CD2 3.77Å; Y31-F41 HydrophobicContact CD2-CE2 4.17Å; Y31-F41 AromaticContact CD2-CG 3.85Å; Y31-F41 HydrophobicContact CD2-CG 3.85Å; Y31-L52 HydrophobicContact CD1-CB 4.31Å; Y31-L52 HydrophobicContact CD1-CD1 3.57Å; Y31-L52 HydrophobicContact CD2-CB 4.27Å; Y31-L52 HydrophobicContact CD2-CD1 3.78Å; Y31-L52 HydrophobicContact CE1-CD1 3.21Å; Y31-L52 HydrophobicContact CE2-CD1 3.42Å; Y31-L52 VanDerWaalsContact CE2-CD1 3.42Å; Y31-L52 HydrophobicContact CG-CB 4.06Å; Y31-L52 HydrophobicContact CG-CD1 3.85Å
32Q91.8Very high95.1Very high29 Ų2936.8 Ų36.814%0.13621%0.213CC..Hα-helixtrans-63.6-35.1-176-73.8163.516.500112.7S28 I29 G34 I132 N136S28-Q32 WeakPolarHBondContact O-CB 3.06Å; S28-Q32 VanDerWaalsContact O-CD 3.23Å; S28-Q32 WeakPolarHBondContact O-CG 3.4Å; S28-Q32 PolarHBondContact O-N 2.88Å; I29-Q32 PolarHBondContact O-N 3.18Å; I29-Q32 VanDerWaalsContact O-N 3.15Å; Q32-G34 PolarHBondContact O-N 3.07Å; Q32-I132 PolarHBondContact OE1-O 3.12Å; Q32-N136 PolarHBondContact O-OD1 3.07Å
33R90.9Very high95Very high21 Ų2143.2 Ų43.28%0.07924%0.243CC..THydrogen-bonded Turntrans-83.7-0.7177.5-53-46.4-65.8138.67.1112.7I29 Y31 I35 I86 E96 N136 L139 P140I29-R33 HydrophobicContact CG2-CG 3.86Å; I29-R33 WeakPolarHBondContact O-CB 3.48Å; I29-R33 VanDerWaalsContact O-CG 3.27Å; I29-R33 WeakPolarHBondContact O-CG 3.34Å; I29-R33 PolarHBondContact O-N 2.62Å; Y31-R33 VanDerWaalsContact C-N 3.27Å; Y31-R33 PolarHBondContact O-N 2.87Å; R33-I35 HydrophobicContact CB-CD1 4.18Å; R33-I35 HydrophobicContact CB-CG1 4.08Å; R33-I35 PolarHBondContact O-N 3.36Å; R33-I86 HydrophobicContact CB-CD1 4.02Å; R33-I86 HydrophobicContact CG-CD1 3.72Å; R33-E96 IonicContact CZ-OE1 2.71Å; R33-E96 IonicContact NE-OE1 3.8Å; R33-E96 PolarHBondContact NE-OE1 2.81Å; R33-E96 IonicContact NE-OE2 2.95Å; R33-E96 PolarHBondContact NE-OE2 3.38Å; R33-E96 IonicContact NH2-OE1 3.53Å; R33-E96 PolarHBondContact NH2-OE1 2.73Å; R33-N136 PolarHBondContact NH1-OD1 2.95Å; R33-L139 PolarHBondContact NH1-O 3.02Å; R33-P140 PolarHBondContact NH2-O 3.44Å
34G91.4Very high94.9Very high54 Ų5444.3 Ų44.356%0.55725%0.25SS*.THydrogen-bonded Turntrans63.327.9175.700000113.9L30 Y31 Q32 Y36L30-G34 PolarHBondContact O-N 3.26Å; Y31-G34 PolarHBondContact O-N 2.75Å; Q32-G34 PolarHBondContact O-N 3.07Å; G34-Y36 PolarHBondContact O-N 3.09Å
35I92.6Very high94.8Very high26 Ų2649.3 Ų49.313%0.13328%0.277CS..SBendtrans-63.8-34.5-179.5-55.7-59.5000110.6L30 R33 I86 F146L30-I35 HydrophobicContact CD2-CB 3.98Å; L30-I35 HydrophobicContact CD2-CG1 3.86Å; L30-I35 HydrophobicContact CD2-CG2 4.04Å; L30-I35 PolarHBondContact O-N 2.98Å; R33-I35 HydrophobicContact CB-CD1 4.18Å; R33-I35 HydrophobicContact CB-CG1 4.08Å; R33-I35 PolarHBondContact O-N 3.36Å; I35-I86 HydrophobicContact CD1-CD1 4.43Å; I35-I86 HydrophobicContact CD1-CG1 4.48Å; I35-I86 HydrophobicContact CD1-CG2 3.99Å; I35-F146 HydrophobicContact CG2-CB 4.37Å; I35-F146 HydrophobicContact CG2-CD1 3.6Å; I35-F146 HydrophobicContact CG2-CE1 4.37Å; I35-F146 HydrophobicContact CG2-CG 4.33Å
36Y92.7Very high94.7Very high64 Ų6452 Ų5225%0.25129%0.289SS..SBendtrans-119.4152.4170.9-72.4-101.1000109.8G34 L59 F146G34-Y36 PolarHBondContact O-N 3.09Å; Y36-L59 HydrophobicContact CD1-CD2 4.41Å; Y36-L59 HydrophobicContact CD2-CD2 3.76Å; Y36-L59 HydrophobicContact CE1-CB 4.37Å; Y36-L59 HydrophobicContact CE1-CD2 4.26Å; Y36-L59 HydrophobicContact CE2-CD1 4.04Å; Y36-L59 HydrophobicContact CE2-CD2 3.61Å; Y36-L59 HydrophobicContact CE2-CG 4.33Å; Y36-L59 HydrophobicContact CG-CD2 4.18Å; Y36-F146 HydrophobicContact CE2-CD1 4.22Å; Y36-F146 AromaticContact CE2-CE1 3.62Å; Y36-F146 HydrophobicContact CE2-CE1 3.62Å
37P91.9Very high94.5Very high86 Ų8653 Ų5356%0.55829%0.293SS*.  trans-55.8143.9175.2-23.433.6000111.7A39 S40 F41P37-A39 PolarHBondContact O-N 2.97Å; P37-A39 VanDerWaalsContact O-N 3.14Å; P37-S40 WeakPolarHBondContact O-CB 3.27Å; P37-S40 PolarHBondContact O-N 3.09Å; P37-F41 WeakPolarHBondContact O-CD2 3.27Å
38S92.3Very high94.3Very high86 Ų8658.9 Ų58.960%0.60132%0.324SS*.G310 helixtrans-57.8-30.2178.8560000113.4S40 F41S38-S40 PolarHBondContact O-N 2.71Å; S38-F41 PolarHBondContact O-N 2.81Å; S38-F41 VanDerWaalsContact O-N 3.13Å
39A94.6Very high94.2Very high89 Ų8959.8 Ų59.874%0.73633%0.329SS*.G310 helixtrans-64.7-21.2175.300000113.7P37 F41P37-A39 PolarHBondContact O-N 2.97Å; P37-A39 VanDerWaalsContact O-N 3.14Å; A39-F41 PolarHBondContact O-N 3.2Å
40S96.2Very high94.2Very high28 Ų2863.4 Ų63.420%0.19635%0.354CS..G310 helixtrans-84.513.9174.9-56.30000112.6P37 S38 T54 T55P37-S40 WeakPolarHBondContact O-CB 3.27Å; P37-S40 PolarHBondContact O-N 3.09Å; S38-S40 PolarHBondContact O-N 2.71Å; S40-T54 CarbonylContact O-C 3.59Å; S40-T54 VanDerWaalsContact O-CA 3.22Å; S40-T54 WeakPolarHBondContact O-CA 3.49Å; S40-T54 PolarHBondContact O-OG1 2.93Å; S40-T54 VanDerWaalsContact O-OG1 3.12Å; S40-T55 VanDerWaalsContact C-OG1 3.26Å; S40-T55 PolarHBondContact O-N 2.78Å; S40-T55 PolarHBondContact O-OG1 2.83Å
41F97.5Very high94.1Very high16 Ų1663.8 Ų63.87%0.0736%0.356CS..EExtended strand (participates in β ladder)trans-128.3148.9174.6-65-98.8000111.1L30 Y31 P37 S38 A39 L52 V53L30-F41 HydrophobicContact CB-CZ 4.29Å; Y31-F41 HydrophobicContact CD2-CB 4.18Å; Y31-F41 HydrophobicContact CD2-CD1 4.32Å; Y31-F41 AromaticContact CD2-CD2 3.77Å; Y31-F41 HydrophobicContact CD2-CD2 3.77Å; Y31-F41 HydrophobicContact CD2-CE2 4.17Å; Y31-F41 AromaticContact CD2-CG 3.85Å; Y31-F41 HydrophobicContact CD2-CG 3.85Å; P37-F41 WeakPolarHBondContact O-CD2 3.27Å; S38-F41 PolarHBondContact O-N 2.81Å; S38-F41 VanDerWaalsContact O-N 3.13Å; A39-F41 PolarHBondContact O-N 3.2Å; F41-L52 HydrophobicContact CB-CB 4.19Å; F41-L52 HydrophobicContact CB-CD2 4.45Å; F41-L52 HydrophobicContact CD1-CB 4.44Å; F41-V53 CarbonylContact C-O 3.55Å; F41-V53 VanDerWaalsContact CA-O 3.28Å; F41-V53 WeakPolarHBondContact CA-O 3.25Å
42K97.5Very high94.2Very high122 Ų12261.7 Ų61.753%0.5335%0.351SS..EExtended strand (participates in β ladder)trans-125.4151.5172.366.5179.7173.3-173.10110.9L52 V53 T55K42-L52 WeakPolarHBondContact O-CA 3.31Å; K42-V53 PolarHBondContact N-O 2.83Å; K42-V53 PolarHBondContact O-N 3.15Å; K42-T55 HydrophobicContact CB-CG2 3.79Å; K42-T55 HydrophobicContact CD-CG2 3.63Å; K42-T55 HydrophobicContact CG-CG2 3.59Å
43Q96.8Very high94.4Very high135 Ų13560.9 Ų60.963%0.63135%0.348SS*.EExtended strand (participates in β ladder)trans-69134.3174.5-168.2178-2000110.3S50 L52Q43-S50 VanDerWaalsContact CD-OG 3.22Å; Q43-S50 WeakPolarHBondContact CG-OG 3.37Å; Q43-S50 PolarHBondContact NE2-OG 3.33Å; Q43-L52 HydrophobicContact CB-CD2 4.29Å
44N96.2Very high94.8Very high53 Ų5360 Ų6028%0.28335%0.345SS..EExtended strand (participates in β ladder)trans-136.3141.3175.3-171.4-104.4000108.9Y24 V51 V53Y24-N44 WeakPolarHBondContact CE1-OD1 3.28Å; Y24-N44 PolarHBondContact OH-OD1 2.79Å; N44-V51 PolarHBondContact N-O 2.89Å; N44-V51 WeakPolarHBondContact O-CG2 3.41Å; N44-V51 PolarHBondContact O-N 3.24Å; N44-V51 VanDerWaalsContact O-O 3.08Å; N44-V53 HydrophobicContact CB-CB 4.46Å; N44-V53 HydrophobicContact CB-CG2 3.84Å
45I95.8Very high95.1Very high130 Ų13060.3 Ų60.367%0.66734%0.336SS*.EExtended strand (participates in β ladder)trans-96.3117.3175.2-59.9175.7000107.8L49I45-L49 WeakPolarHBondContact CA-O 3.15Å
46K95Very high95.3Very high58 Ų5861.4 Ų61.425%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-145.3139.7176.7-171.776.9177.2-1530110.3D20 Y24 D48 L49 V51D20-K46 IonicContact OD1-NZ 2.79Å; D20-K46 PolarHBondContact OD1-NZ 2.9Å; D20-K46 WeakPolarHBondContact OD2-CE 3.5Å; D20-K46 IonicContact OD2-NZ 2.65Å; D20-K46 PolarHBondContact OD2-NZ 3.04Å; Y24-K46 HydrophobicContact CD1-CB 4.08Å; Y24-K46 HydrophobicContact CD1-CG 4.31Å; Y24-K46 HydrophobicContact CD2-CB 4.42Å; Y24-K46 HydrophobicContact CD2-CD 4.38Å; Y24-K46 HydrophobicContact CD2-CG 3.76Å; Y24-K46 HydrophobicContact CE1-CB 3.56Å; Y24-K46 HydrophobicContact CE1-CG 3.91Å; Y24-K46 HydrophobicContact CE2-CB 4.04Å; Y24-K46 HydrophobicContact CE2-CD 3.6Å; Y24-K46 HydrophobicContact CE2-CG 3.4Å; Y24-K46 VanDerWaalsContact CE2-CG 3.4Å; Y24-K46 HydrophobicContact CG-CB 4.45Å; Y24-K46 HydrophobicContact CG-CG 4.21Å; Y24-K46 VanDerWaalsContact CZ-CG 3.44Å; Y24-K46 WeakPolarHBondContact OH-CD 3.42Å; K46-D48 PolarHBondContact O-N 2.82Å; K46-L49 PolarHBondContact N-O 2.79Å; K46-L49 WeakPolarHBondContact O-CA 3Å; K46-L49 WeakPolarHBondContact O-CB 3.46Å; K46-L49 PolarHBondContact O-N 3.4Å; K46-L49 VanDerWaalsContact O-O 3.08Å; K46-V51 HydrophobicContact CB-CG2 4.12Å
47Y93.2Very high95.5Very high21 Ų2166 Ų668%0.08237%0.366CS..THydrogen-bonded Turntrans54.735.5-176.6-50-64.4000112D20 Y21 Y24 L49 Q122 I125 Q126 I129D20-Y47 PolarHBondContact OD2-OH 3.5Å; Y21-Y47 WeakPolarHBondContact CA-OH 3.3Å; Y21-Y47 PolarHBondContact N-OH 3.47Å; Y21-Y47 VanDerWaalsContact N-OH 3.14Å; Y24-Y47 HydrophobicContact CD2-CE2 4.09Å; Y47-L49 PolarHBondContact O-N 3.01Å; Y47-L49 VanDerWaalsContact O-N 3.11Å; Y47-Q122 HydrophobicContact CD1-CG 4.17Å; Y47-I125 HydrophobicContact CD1-CD1 4.25Å; Y47-I125 HydrophobicContact CD1-CG2 4.18Å; Y47-I125 HydrophobicContact CD2-CG2 3.45Å; Y47-I125 VanDerWaalsContact CD2-CG2 3.45Å; Y47-I125 HydrophobicContact CE1-CD1 3.79Å; Y47-I125 HydrophobicContact CE1-CG2 4.38Å; Y47-I125 HydrophobicContact CE2-CG2 3.68Å; Y47-I125 HydrophobicContact CG-CG2 3.71Å; Y47-Q126 VanDerWaalsContact O-CD 3.29Å; Y47-Q126 WeakPolarHBondContact O-CG 3.35Å; Y47-Q126 PolarHBondContact O-NE2 3.27Å; Y47-I129 HydrophobicContact CD2-CD1 4.06Å
48D93.9Very high95.8Very high122 Ų12267.8 Ų67.865%0.65237%0.371SS*.THydrogen-bonded Turntrans54.922.2-171.1-44.7-42.5000114.9K46 Q122K46-D48 PolarHBondContact O-N 2.82Å; D48-Q122 PolarHBondContact OD2-NE2 3.48Å
49L93.8Very high96Very high25 Ų2563.8 Ų63.813%0.13134%0.343CS..EExtended strand (participates in β ladder)trans-113.2140.2172.8-65.2178.5000109.9I45 K46 Y47 V51 Q126 I129I45-L49 WeakPolarHBondContact CA-O 3.15Å; K46-L49 PolarHBondContact N-O 2.79Å; K46-L49 WeakPolarHBondContact O-CA 3Å; K46-L49 WeakPolarHBondContact O-CB 3.46Å; K46-L49 PolarHBondContact O-N 3.4Å; K46-L49 VanDerWaalsContact O-O 3.08Å; Y47-L49 PolarHBondContact O-N 3.01Å; Y47-L49 VanDerWaalsContact O-N 3.11Å; L49-V51 HydrophobicContact CB-CG1 4Å; L49-V51 PolarHBondContact O-N 2.95Å; L49-Q126 HydrophobicContact CD1-CB 3.92Å; L49-Q126 HydrophobicContact CD1-CG 3.96Å; L49-Q126 HydrophobicContact CG-CB 4.38Å; L49-Q126 HydrophobicContact CG-CG 3.99Å; L49-I129 HydrophobicContact CD1-CB 3.8Å; L49-I129 HydrophobicContact CD1-CD1 4.2Å; L49-I129 HydrophobicContact CD1-CG2 3.72Å
50S94.5Very high96.1Very high77 Ų7761.9 Ų61.954%0.53832%0.32SS..EExtended strand (participates in β ladder)trans-79.3106.6164.2174.90000108.7Q43Q43-S50 VanDerWaalsContact CD-OG 3.22Å; Q43-S50 WeakPolarHBondContact CG-OG 3.37Å; Q43-S50 PolarHBondContact NE2-OG 3.33Å
51V94.2Very high96.2Very high8 Ų867.6 Ų67.65%0.04834%0.341CS..EExtended strand (participates in β ladder)trans-116.2155.2-179.8-67.60000110.2Y24 N44 K46 L49 V53 I129Y24-V51 HydrophobicContact CD1-CB 4.39Å; Y24-V51 HydrophobicContact CD1-CG2 3.41Å; Y24-V51 VanDerWaalsContact CD1-CG2 3.41Å; Y24-V51 HydrophobicContact CE1-CG2 3.64Å; Y24-V51 HydrophobicContact CG-CG2 4.5Å; N44-V51 PolarHBondContact N-O 2.89Å; N44-V51 WeakPolarHBondContact O-CG2 3.41Å; N44-V51 PolarHBondContact O-N 3.24Å; N44-V51 VanDerWaalsContact O-O 3.08Å; K46-V51 HydrophobicContact CB-CG2 4.12Å; L49-V51 HydrophobicContact CB-CG1 4Å; L49-V51 PolarHBondContact O-N 2.95Å; V51-V53 HydrophobicContact CG2-CG2 4.47Å; V51-I129 HydrophobicContact CG1-CG2 4.04Å
52L94.7Very high96.1Very high45 Ų4571 Ų7124%0.23635%0.354CS..EExtended strand (participates in β ladder)trans-100.3129.9177.1-73.1166.7000109.3Y31 F41 K42 Q43Y31-L52 HydrophobicContact CD1-CB 4.31Å; Y31-L52 HydrophobicContact CD1-CD1 3.57Å; Y31-L52 HydrophobicContact CD2-CB 4.27Å; Y31-L52 HydrophobicContact CD2-CD1 3.78Å; Y31-L52 HydrophobicContact CE1-CD1 3.21Å; Y31-L52 HydrophobicContact CE2-CD1 3.42Å; Y31-L52 VanDerWaalsContact CE2-CD1 3.42Å; Y31-L52 HydrophobicContact CG-CB 4.06Å; Y31-L52 HydrophobicContact CG-CD1 3.85Å; F41-L52 HydrophobicContact CB-CB 4.19Å; F41-L52 HydrophobicContact CB-CD2 4.45Å; F41-L52 HydrophobicContact CD1-CB 4.44Å; K42-L52 WeakPolarHBondContact O-CA 3.31Å; Q43-L52 HydrophobicContact CB-CD2 4.29Å
53V97.4Very high96.2Very high12 Ų1265.2 Ų65.27%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-125.1138.1-176.9178.20000108.5F23 Y24 F41 K42 N44 V51F23-V53 HydrophobicContact CE1-CG1 3.49Å; F23-V53 VanDerWaalsContact CE1-CG1 3.49Å; F23-V53 HydrophobicContact CZ-CG1 3.8Å; Y24-V53 HydrophobicContact CD1-CG2 3.74Å; Y24-V53 HydrophobicContact CE1-CG2 3.5Å; Y24-V53 VanDerWaalsContact CE1-CG2 3.5Å; F41-V53 CarbonylContact C-O 3.55Å; F41-V53 VanDerWaalsContact CA-O 3.28Å; F41-V53 WeakPolarHBondContact CA-O 3.25Å; K42-V53 PolarHBondContact N-O 2.83Å; K42-V53 PolarHBondContact O-N 3.15Å; N44-V53 HydrophobicContact CB-CB 4.46Å; N44-V53 HydrophobicContact CB-CG2 3.84Å; V51-V53 HydrophobicContact CG2-CG2 4.47Å
54T97.6Very high96.2Very high2 Ų261.9 Ų61.91%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-61.2146-178.7-172.20000112.2N27 S40 D56 L59 I60N27-T54 WeakPolarHBondContact OD1-CB 3.48Å; N27-T54 VanDerWaalsContact OD1-CG2 3.31Å; N27-T54 WeakPolarHBondContact OD1-CG2 3.25Å; N27-T54 PolarHBondContact OD1-N 3.3Å; S40-T54 CarbonylContact O-C 3.59Å; S40-T54 VanDerWaalsContact O-CA 3.22Å; S40-T54 WeakPolarHBondContact O-CA 3.49Å; S40-T54 PolarHBondContact O-OG1 2.93Å; S40-T54 VanDerWaalsContact O-OG1 3.12Å; T54-D56 WeakPolarHBondContact OG1-CB 3.22Å; T54-D56 PolarHBondContact OG1-N 2.98Å; T54-L59 HydrophobicContact CG2-CB 4.19Å; T54-L59 HydrophobicContact CG2-CD2 3.64Å; T54-L59 HydrophobicContact CG2-CG 3.79Å; T54-I60 HydrophobicContact CG2-CD1 4.48Å; T54-I60 HydrophobicContact CG2-CG1 3.6Å
55T97.8Very high96.2Very high62 Ų6262.9 Ų62.938%0.3832%0.323SS..  trans-104.8-3.9168.654.30000112.1S40 K42 E57S40-T55 VanDerWaalsContact C-OG1 3.26Å; S40-T55 PolarHBondContact O-N 2.78Å; S40-T55 PolarHBondContact O-OG1 2.83Å; K42-T55 HydrophobicContact CB-CG2 3.79Å; K42-T55 HydrophobicContact CD-CG2 3.63Å; K42-T55 HydrophobicContact CG-CG2 3.59Å; T55-E57 PolarHBondContact O-N 3.04Å
56D97.4Very high96.2Very high48 Ų4857.2 Ų57.226%0.25729%0.294SS..  trans-73.5116.4178.1-177.3-87.9000110.3T54 N58 L59 I60T54-D56 WeakPolarHBondContact OG1-CB 3.22Å; T54-D56 PolarHBondContact OG1-N 2.98Å; D56-N58 VanDerWaalsContact C-N 3.28Å; D56-N58 PolarHBondContact O-N 3.09Å; D56-N58 WeakPolarHBondContact OD1-CB 3.46Å; D56-N58 PolarHBondContact OD1-N 2.89Å; D56-N58 VanDerWaalsContact OD1-N 3.13Å; D56-L59 HydrophobicContact CB-CB 4.09Å; D56-L59 PolarHBondContact O-N 3.04Å; D56-L59 PolarHBondContact OD1-N 3.3Å; D56-I60 VanDerWaalsContact O-CG1 3.23Å; D56-I60 WeakPolarHBondContact O-CG1 3.31Å; D56-I60 PolarHBondContact O-N 3.22Å
57E97.5Very high96.4Very high160 Ų16054.7 Ų54.775%0.74828%0.283SS*.Hα-helixtrans-63.9-33.1-174.5-63.8-175.717000112.7T55 K61T55-E57 PolarHBondContact O-N 3.04Å; E57-K61 VanDerWaalsContact O-CB 3.25Å; E57-K61 WeakPolarHBondContact O-CB 3.31Å; E57-K61 PolarHBondContact O-N 2.81Å
58N97Very high96.5Very high125 Ų12558.3 Ų58.367%0.66830%0.304SS*.Hα-helixtrans-69.6-44.7179.1-65.3-49.5000110.7D56 K61 Y62D56-N58 VanDerWaalsContact C-N 3.28Å; D56-N58 PolarHBondContact O-N 3.09Å; D56-N58 WeakPolarHBondContact OD1-CB 3.46Å; D56-N58 PolarHBondContact OD1-N 2.89Å; D56-N58 VanDerWaalsContact OD1-N 3.13Å; N58-K61 PolarHBondContact O-N 2.59Å; N58-Y62 VanDerWaalsContact O-CB 3.31Å; N58-Y62 WeakPolarHBondContact O-CB 3.49Å; N58-Y62 PolarHBondContact O-N 2.95Å
59L96.5Very high96.7Very high1 Ų154.1 Ų54.11%0.00528%0.281CS..Hα-helixtrans-64.1-45175179.158.8000111.2L30 Y36 T54 D56 K61 Y62 L63 F146L30-L59 HydrophobicContact CD1-CD1 4.05Å; L30-L59 HydrophobicContact CD1-CD2 4.05Å; Y36-L59 HydrophobicContact CD1-CD2 4.41Å; Y36-L59 HydrophobicContact CD2-CD2 3.76Å; Y36-L59 HydrophobicContact CE1-CB 4.37Å; Y36-L59 HydrophobicContact CE1-CD2 4.26Å; Y36-L59 HydrophobicContact CE2-CD1 4.04Å; Y36-L59 HydrophobicContact CE2-CD2 3.61Å; Y36-L59 HydrophobicContact CE2-CG 4.33Å; Y36-L59 HydrophobicContact CG-CD2 4.18Å; T54-L59 HydrophobicContact CG2-CB 4.19Å; T54-L59 HydrophobicContact CG2-CD2 3.64Å; T54-L59 HydrophobicContact CG2-CG 3.79Å; D56-L59 HydrophobicContact CB-CB 4.09Å; D56-L59 PolarHBondContact O-N 3.04Å; D56-L59 PolarHBondContact OD1-N 3.3Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.4Å; L59-Y62 HydrophobicContact CD1-CD1 4.35Å; L59-Y62 PolarHBondContact O-N 2.83Å; L59-L63 HydrophobicContact CD1-CD1 4.05Å; L59-L63 HydrophobicContact CD1-CD2 4.31Å; L59-L63 HydrophobicContact CD1-CG 3.89Å; L59-L63 HydrophobicContact CG-CD1 4.06Å; L59-L63 HydrophobicContact CG-CG 4.32Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 2.53Å; L59-F146 HydrophobicContact CD1-CE1 4.1Å; L59-F146 HydrophobicContact CD1-CZ 3.6Å
60I97.9Very high96.8Very high49 Ų4953 Ų5325%0.25128%0.275SS..Hα-helixtrans-56.4-48.3175.7-68.7165.4000110.2T54 D56 L63 N64T54-I60 HydrophobicContact CG2-CD1 4.48Å; T54-I60 HydrophobicContact CG2-CG1 3.6Å; D56-I60 VanDerWaalsContact O-CG1 3.23Å; D56-I60 WeakPolarHBondContact O-CG1 3.31Å; D56-I60 PolarHBondContact O-N 3.22Å; I60-L63 PolarHBondContact O-N 3.32Å; I60-N64 WeakPolarHBondContact CG2-ND2 3.49Å; I60-N64 WeakPolarHBondContact O-CB 3.34Å; I60-N64 PolarHBondContact O-N 3.27Å; I60-N64 PolarHBondContact O-ND2 3.46Å
61K97.5Very high96.9Very high149 Ų14951.4 Ų51.465%0.64826%0.258SS*.Hα-helixtrans-61.4-46.5178.6-176.7179.9179-177.80111.5E57 N58 L59 N64 V65E57-K61 VanDerWaalsContact O-CB 3.25Å; E57-K61 WeakPolarHBondContact O-CB 3.31Å; E57-K61 PolarHBondContact O-N 2.81Å; N58-K61 PolarHBondContact O-N 2.59Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 3.4Å; K61-N64 PolarHBondContact O-N 3.02Å; K61-V65 WeakPolarHBondContact O-CG2 3.42Å; K61-V65 PolarHBondContact O-N 3.35Å
62Y96.7Very high97Very high87 Ų8754.9 Ų54.934%0.34128%0.276SS..Hα-helixtrans-57.8-51.5178.4173.1-99.9000111.8N58 L59 N64 V65 I66 F146 L148N58-Y62 VanDerWaalsContact O-CB 3.31Å; N58-Y62 WeakPolarHBondContact O-CB 3.49Å; N58-Y62 PolarHBondContact O-N 2.95Å; L59-Y62 HydrophobicContact CD1-CD1 4.35Å; L59-Y62 PolarHBondContact O-N 2.83Å; Y62-N64 PolarHBondContact O-N 2.77Å; Y62-V65 PolarHBondContact O-N 3.43Å; Y62-I66 HydrophobicContact CD1-CD1 4.28Å; Y62-I66 HydrophobicContact CD2-CD1 4.22Å; Y62-I66 HydrophobicContact CE1-CD1 3.7Å; Y62-I66 HydrophobicContact CE2-CD1 3.64Å; Y62-I66 PolarHBondContact O-N 3.44Å; Y62-F146 HydrophobicContact CD1-CE2 4.33Å; Y62-F146 HydrophobicContact CD1-CZ 4.02Å; Y62-F146 AromaticContact CE1-CE2 3.65Å; Y62-F146 HydrophobicContact CE1-CE2 3.65Å; Y62-F146 AromaticContact CE1-CZ 3.73Å; Y62-F146 HydrophobicContact CE1-CZ 3.73Å; Y62-L148 HydrophobicContact CE1-CD1 3.79Å; Y62-L148 HydrophobicContact CE1-CG 4.24Å; Y62-L148 PolarHBondContact OH-N 3.01Å
63L97.9Very high97Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-60.8-44.9178.3-66.5178.3000111.4F23 L26 L59 I60 V65 I66 L67 L148F23-L63 HydrophobicContact CD2-CB 4.31Å; F23-L63 HydrophobicContact CD2-CD1 4.35Å; F23-L63 HydrophobicContact CE2-CB 4.3Å; F23-L63 HydrophobicContact CE2-CD1 4.12Å; L26-L63 HydrophobicContact CD1-CD2 4.03Å; L59-L63 HydrophobicContact CD1-CD1 4.05Å; L59-L63 HydrophobicContact CD1-CD2 4.31Å; L59-L63 HydrophobicContact CD1-CG 3.89Å; L59-L63 HydrophobicContact CG-CD1 4.06Å; L59-L63 HydrophobicContact CG-CG 4.32Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 2.53Å; I60-L63 PolarHBondContact O-N 3.32Å; L63-V65 PolarHBondContact O-N 3.28Å; L63-I66 PolarHBondContact O-N 2.9Å; L63-L67 VanDerWaalsContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 3.26Å; L63-L148 HydrophobicContact CD2-CD1 3.8Å
64N97.3Very high96.9Very high66 Ų6652.5 Ų52.535%0.35326%0.263SS..Hα-helixtrans-64.3-38.3-178.8-75.2-21.1000113.1I60 K61 Y62 I66 N68I60-N64 WeakPolarHBondContact CG2-ND2 3.49Å; I60-N64 WeakPolarHBondContact O-CB 3.34Å; I60-N64 PolarHBondContact O-N 3.27Å; I60-N64 PolarHBondContact O-ND2 3.46Å; K61-N64 PolarHBondContact O-N 3.02Å; Y62-N64 PolarHBondContact O-N 2.77Å; N64-I66 VanDerWaalsContact C-N 3.32Å; N64-I66 PolarHBondContact O-N 3.49Å; N64-N68 WeakPolarHBondContact O-CB 3.47Å; N64-N68 PolarHBondContact O-N 3.13Å; N64-N68 PolarHBondContact O-ND2 3.36Å
65V96.3Very high96.7Very high73 Ų7355.4 Ų55.444%0.44228%0.277SS..Hα-helixtrans-59.3-46.2176.2167.40000110.5K61 Y62 L63 Q69K61-V65 WeakPolarHBondContact O-CG2 3.42Å; K61-V65 PolarHBondContact O-N 3.35Å; Y62-V65 PolarHBondContact O-N 3.43Å; L63-V65 PolarHBondContact O-N 3.28Å; V65-Q69 PolarHBondContact O-N 3.36Å
66I96.9Very high96.4Very high12 Ų1257.3 Ų57.36%0.06228%0.284CS..Hα-helixtrans-70.5-47.9-178.4-65.9166.4000110.9Y62 L63 N64 N68 Q69 V70 L82 L148 V150 W162Y62-I66 HydrophobicContact CD1-CD1 4.28Å; Y62-I66 HydrophobicContact CD2-CD1 4.22Å; Y62-I66 HydrophobicContact CE1-CD1 3.7Å; Y62-I66 HydrophobicContact CE2-CD1 3.64Å; Y62-I66 PolarHBondContact O-N 3.44Å; L63-I66 PolarHBondContact O-N 2.9Å; N64-I66 VanDerWaalsContact C-N 3.32Å; N64-I66 PolarHBondContact O-N 3.49Å; I66-N68 VanDerWaalsContact C-N 3.33Å; I66-N68 PolarHBondContact O-N 3.45Å; I66-Q69 WeakPolarHBondContact O-CB 3.4Å; I66-Q69 PolarHBondContact O-N 3.39Å; I66-Q69 VanDerWaalsContact O-N 3.1Å; I66-V70 HydrophobicContact CG2-CG2 4.34Å; I66-V70 WeakPolarHBondContact O-CG2 3.25Å; I66-V70 PolarHBondContact O-N 3.32Å; I66-L82 HydrophobicContact CG2-CD1 4.44Å; I66-L148 HydrophobicContact CD1-CB 3.95Å; I66-L148 HydrophobicContact CD1-CD1 3.68Å; I66-L148 HydrophobicContact CD1-CG 4.4Å; I66-L148 HydrophobicContact CG2-CD1 4.28Å; I66-V150 HydrophobicContact CG2-CG2 3.95Å; I66-W162 HydrophobicContact CB-CZ2 4.37Å; I66-W162 HydrophobicContact CG1-CZ2 4.06Å; I66-W162 HydrophobicContact CG2-CH2 4.18Å; I66-W162 HydrophobicContact CG2-CZ2 4.5Å
67L97.9Very high96.2Very high4 Ų456 Ų562%0.02128%0.282CS..Hα-helixtrans-66.7-32.6-177.2-70.1-179.7000112.8T19 F22 F23 L26 L63 Q69 V70 K71 L82T19-L67 HydrophobicContact CG2-CB 3.8Å; T19-L67 WeakPolarHBondContact CG2-O 3.3Å; F22-L67 HydrophobicContact CB-CD2 3.65Å; F22-L67 HydrophobicContact CD2-CD2 4.41Å; F22-L67 HydrophobicContact CG-CD2 4.48Å; F23-L67 HydrophobicContact CB-CD1 3.62Å; F23-L67 HydrophobicContact CD2-CD1 3.92Å; F23-L67 HydrophobicContact CG-CD1 4.28Å; L26-L67 HydrophobicContact CD1-CD2 4.26Å; L63-L67 VanDerWaalsContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 3.26Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.01Å; L67-V70 PolarHBondContact O-N 3.38Å; L67-K71 WeakPolarHBondContact O-CB 3.36Å; L67-K71 PolarHBondContact O-N 2.86Å; L67-L82 HydrophobicContact CD2-CD2 4.22Å
68N96.7Very high96.1Very high97 Ų9748.7 Ų48.752%0.51925%0.248SC..Hα-helixtrans-63.3-38.5171.8-76.6-21.1000112N64 I66 K71 N72N64-N68 WeakPolarHBondContact O-CB 3.47Å; N64-N68 PolarHBondContact O-N 3.13Å; N64-N68 PolarHBondContact O-ND2 3.36Å; I66-N68 VanDerWaalsContact C-N 3.33Å; I66-N68 PolarHBondContact O-N 3.45Å; N68-K71 WeakPolarHBondContact O-CB 3.12Å; N68-N72 PolarHBondContact O-N 3.38Å; N68-N72 PolarHBondContact O-ND2 3.07Å
69Q96.3Very high96Very high35 Ų3542.8 Ų42.816%0.16422%0.217CC..Hα-helixtrans-70.3-42.8175.7-17260.244.400111.6V65 I66 L67 K71 N72 W73 P159 W162V65-Q69 PolarHBondContact O-N 3.36Å; I66-Q69 WeakPolarHBondContact O-CB 3.4Å; I66-Q69 PolarHBondContact O-N 3.39Å; I66-Q69 VanDerWaalsContact O-N 3.1Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.01Å; Q69-K71 VanDerWaalsContact C-N 3.27Å; Q69-K71 PolarHBondContact O-N 3.4Å; Q69-N72 PolarHBondContact O-N 2.92Å; Q69-W73 HydrophobicContact CG-CD2 3.96Å; Q69-W73 HydrophobicContact CG-CE3 3.9Å; Q69-W73 HydrophobicContact CG-CH2 3.56Å; Q69-W73 HydrophobicContact CG-CZ2 3.62Å; Q69-W73 HydrophobicContact CG-CZ3 3.69Å; Q69-W73 PolarHBondContact O-N 2.8Å; Q69-W73 VanDerWaalsContact O-N 3.07Å; Q69-P159 HydrophobicContact CG-CG 3.88Å; Q69-W162 HydrophobicContact CB-CH2 3.69Å; Q69-W162 HydrophobicContact CB-CZ2 3.72Å; Q69-W162 HydrophobicContact CG-CH2 3.75Å; Q69-W162 HydrophobicContact CG-CZ2 4Å; Q69-W162 HydrophobicContact CG-CZ3 4.41Å
70V97Very high96Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-58-40.9174.3171.90000111F22 I66 L67 N72 W73 L74 M102 V150F22-V70 HydrophobicContact CD2-CG1 4.23Å; F22-V70 HydrophobicContact CE2-CG1 4.11Å; I66-V70 HydrophobicContact CG2-CG2 4.34Å; I66-V70 WeakPolarHBondContact O-CG2 3.25Å; I66-V70 PolarHBondContact O-N 3.32Å; L67-V70 PolarHBondContact O-N 3.38Å; V70-N72 PolarHBondContact O-N 3.37Å; V70-W73 PolarHBondContact O-N 3.18Å; V70-L74 HydrophobicContact CG1-CD1 4.18Å; V70-L74 HydrophobicContact CG1-CG 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 2.87Å; V70-M102 HydrophobicContact CG1-SD 4.4Å; V70-V150 HydrophobicContact CG2-CG1 4.04Å; V70-V150 HydrophobicContact CG2-CG2 4.07Å
71K96.8Very high96Very high44 Ų4447.3 Ų47.319%0.19123%0.234CC..Hα-helixtrans-56.3-50.3174.9-176.6-175.4168175.70111.7A15 E16 T19 L67 N68 Q69 W73 L74 E75A15-K71 HydrophobicContact CB-CG 4.34Å; E16-K71 HydrophobicContact CG-CD 4.28Å; E16-K71 IonicContact OE1-NZ 3.16Å; E16-K71 PolarHBondContact OE1-NZ 2.93Å; T19-K71 HydrophobicContact CG2-CB 4.13Å; T19-K71 WeakPolarHBondContact OG1-CB 3.22Å; L67-K71 WeakPolarHBondContact O-CB 3.36Å; L67-K71 PolarHBondContact O-N 2.86Å; N68-K71 WeakPolarHBondContact O-CB 3.12Å; Q69-K71 VanDerWaalsContact C-N 3.27Å; Q69-K71 PolarHBondContact O-N 3.4Å; K71-W73 VanDerWaalsContact C-N 3.27Å; K71-W73 PolarHBondContact O-N 3.1Å; K71-L74 WeakPolarHBondContact O-CB 3.18Å; K71-L74 PolarHBondContact O-N 2.81Å; K71-E75 WeakPolarHBondContact CE-OE1 3.43Å; K71-E75 WeakPolarHBondContact O-CG 3.2Å; K71-E75 PolarHBondContact O-N 3.12Å; K71-E75 VanDerWaalsContact O-N 3.07Å
72N95.6Very high96Very high81 Ų8140.2 Ų40.243%0.43320%0.203SC..Hα-helixtrans-59.7-41.5179.6-64.7-26.5000111.3N68 Q69 V70 E75 D76N68-N72 PolarHBondContact O-N 3.38Å; N68-N72 PolarHBondContact O-ND2 3.07Å; Q69-N72 PolarHBondContact O-N 2.92Å; V70-N72 PolarHBondContact O-N 3.37Å; N72-E75 PolarHBondContact O-N 2.81Å; N72-D76 PolarHBondContact O-N 3.13Å
73W95.8Very high96.1Very high7 Ų736 Ų363%0.02719%0.187CC..Hα-helixtrans-75.2-22.2178.5-66.5-31.9000114.6Q69 V70 K71 D76 G77 S78 V79 V150 A152 A156 V158 W162Q69-W73 HydrophobicContact CG-CD2 3.96Å; Q69-W73 HydrophobicContact CG-CE3 3.9Å; Q69-W73 HydrophobicContact CG-CH2 3.56Å; Q69-W73 HydrophobicContact CG-CZ2 3.62Å; Q69-W73 HydrophobicContact CG-CZ3 3.69Å; Q69-W73 PolarHBondContact O-N 2.8Å; Q69-W73 VanDerWaalsContact O-N 3.07Å; V70-W73 PolarHBondContact O-N 3.18Å; K71-W73 VanDerWaalsContact C-N 3.27Å; K71-W73 PolarHBondContact O-N 3.1Å; W73-D76 WeakPolarHBondContact CA-OD1 3.4Å; W73-G77 CarbonylContact O-C 3.55Å; W73-G77 WeakPolarHBondContact O-CA 3.14Å; W73-G77 PolarHBondContact O-N 3.4Å; W73-S78 WeakPolarHBondContact CB-OG 3.41Å; W73-S78 PolarHBondContact O-N 3.14Å; W73-V79 HydrophobicContact CB-CB 3.61Å; W73-V79 HydrophobicContact CB-CG1 3.88Å; W73-V79 HydrophobicContact CE3-CB 4.49Å; W73-V79 PolarHBondContact O-N 2.91Å; W73-V150 HydrophobicContact CE3-CG1 3.82Å; W73-V150 HydrophobicContact CZ3-CB 4.04Å; W73-V150 HydrophobicContact CZ3-CG1 3.54Å; W73-A152 HydrophobicContact CD2-CB 4.11Å; W73-A152 HydrophobicContact CE3-CB 4.01Å; W73-A152 HydrophobicContact CH2-CB 4.42Å; W73-A152 HydrophobicContact CZ2-CB 4.49Å; W73-A152 HydrophobicContact CZ3-CB 4.18Å; W73-A156 HydrophobicContact CZ2-CB 4.39Å; W73-V158 HydrophobicContact CZ2-CG2 4.32Å; W73-W162 HydrophobicContact CH2-CE3 4.11Å; W73-W162 HydrophobicContact CH2-CH2 4.12Å; W73-W162 AromaticContact CH2-CZ3 3.56Å; W73-W162 HydrophobicContact CH2-CZ3 3.56Å; W73-W162 AromaticContact CZ3-CH2 3.95Å; W73-W162 HydrophobicContact CZ3-CH2 3.95Å; W73-W162 AromaticContact CZ3-CZ3 3.56Å; W73-W162 HydrophobicContact CZ3-CZ3 3.56Å
74L95.1Very high96.1Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-68.7-42.5167.4-77.9170000110A15 L18 F22 V70 K71 D76 G77 V79 M102 H186A15-L74 HydrophobicContact CB-CB 3.76Å; A15-L74 HydrophobicContact CB-CD1 4.41Å; L18-L74 HydrophobicContact CB-CD1 4.07Å; F22-L74 HydrophobicContact CE2-CD1 4.14Å; V70-L74 HydrophobicContact CG1-CD1 4.18Å; V70-L74 HydrophobicContact CG1-CG 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.3Å; V70-L74 PolarHBondContact O-N 2.87Å; K71-L74 WeakPolarHBondContact O-CB 3.18Å; K71-L74 PolarHBondContact O-N 2.81Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-D76 PolarHBondContact O-N 3.37Å; L74-G77 PolarHBondContact O-N 2.91Å; L74-V79 HydrophobicContact CB-CG1 4.37Å; L74-V79 HydrophobicContact CD2-CG1 3.64Å; L74-V79 HydrophobicContact CG-CG1 3.69Å; L74-M102 HydrophobicContact CD2-CB 4.28Å; L74-M102 HydrophobicContact CD2-CG 4.03Å; L74-M102 HydrophobicContact CD2-SD 3.93Å; L74-H186 PolarHBondContact O-NE2 3.47Å
75E93.1Very high96Very high64 Ų6432.9 Ų32.930%0.29917%0.17SC..Hα-helixtrans-63.7-33.7-179.5-69-177.7-155.700113L11 A15 K71 N72L11-E75 WeakPolarHBondContact CD2-O 3.37Å; A15-E75 HydrophobicContact CB-CG 3.59Å; K71-E75 WeakPolarHBondContact CE-OE1 3.43Å; K71-E75 WeakPolarHBondContact O-CG 3.2Å; K71-E75 PolarHBondContact O-N 3.12Å; K71-E75 VanDerWaalsContact O-N 3.07Å; N72-E75 PolarHBondContact O-N 2.81Å
76D92Very high95.9Very high102 Ų10229.5 Ų29.555%0.54515%0.149SC..Hα-helixtrans-94-7.9175.668.220.2000114.2N72 W73 L74 S78N72-D76 PolarHBondContact O-N 3.13Å; W73-D76 WeakPolarHBondContact CA-OD1 3.4Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-D76 PolarHBondContact O-N 3.37Å; D76-S78 VanDerWaalsContact CG-OG 3.32Å; D76-S78 WeakPolarHBondContact OD1-CB 3.37Å; D76-S78 PolarHBondContact OD1-N 2.56Å; D76-S78 PolarHBondContact OD1-OG 2.87Å; D76-S78 PolarHBondContact OD2-OG 3.29Å
77G92.4Very high95.7Very high19 Ų1930.3 Ų30.320%0.19615%0.152CC..THydrogen-bonded Turntrans72.921.6-179.400000114.9W73 L74 T104W73-G77 CarbonylContact O-C 3.55Å; W73-G77 WeakPolarHBondContact O-CA 3.14Å; W73-G77 PolarHBondContact O-N 3.4Å; L74-G77 PolarHBondContact O-N 2.91Å; G77-T104 WeakPolarHBondContact CA-OG1 3.41Å
78S94.6Very high95.4Very high7 Ų731 Ų315%0.04916%0.158CC..  trans-91.1-11.3-179.4660000114.6W73 D76 A152 D153W73-S78 WeakPolarHBondContact CB-OG 3.41Å; W73-S78 PolarHBondContact O-N 3.14Å; D76-S78 VanDerWaalsContact CG-OG 3.32Å; D76-S78 WeakPolarHBondContact OD1-CB 3.37Å; D76-S78 PolarHBondContact OD1-N 2.56Å; D76-S78 PolarHBondContact OD1-OG 2.87Å; D76-S78 PolarHBondContact OD2-OG 3.29Å; S78-A152 CarbonylContact O-C 3.59Å; S78-A152 WeakPolarHBondContact O-CA 3.11Å; S78-A152 WeakPolarHBondContact O-CB 3.37Å; S78-D153 WeakPolarHBondContact CA-OD2 3.38Å; S78-D153 PolarHBondContact O-N 2.84Å
79V96.2Very high95.1Very high1 Ų129.7 Ų29.71%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-91.5132.3175.864.60000112.4W73 L74 M102 V150W73-V79 HydrophobicContact CB-CB 3.61Å; W73-V79 HydrophobicContact CB-CG1 3.88Å; W73-V79 HydrophobicContact CE3-CB 4.49Å; W73-V79 PolarHBondContact O-N 2.91Å; L74-V79 HydrophobicContact CB-CG1 4.37Å; L74-V79 HydrophobicContact CD2-CG1 3.64Å; L74-V79 HydrophobicContact CG-CG1 3.69Å; V79-M102 HydrophobicContact CG1-SD 4.09Å; V79-M102 HydrophobicContact CG2-CE 4.15Å; V79-M102 HydrophobicContact CG2-SD 4.17Å; V79-V150 HydrophobicContact CG2-CG1 3.72Å
80H96.3Very high94.7Very high83 Ų8336.9 Ų36.938%0.38418%0.184SC..EExtended strand (participates in β ladder)trans-110.8-31-179-58.3-61000113.1M102 Y151 D153H80-M102 PolarHBondContact O-N 3Å; H80-Y151 PolarHBondContact N-O 3.5Å; H80-D153 IonicContact CD2-OD1 2.83Å; H80-D153 IonicContact CE1-OD1 3.54Å; H80-D153 IonicContact NE2-OD1 3.63Å; H80-D153 PolarHBondContact NE2-OD1 2.69Å
81R97.4Very high94.4Very high62 Ų6241.2 Ų41.223%0.23421%0.21CC..EExtended strand (participates in β ladder)trans-156141.2-175.6177.5-175.7-65.4149.63.5112.8Q99 F100 D101 M102 V150 Y151R81-Q99 VanDerWaalsContact CZ-NE2 3.3Å; R81-F100 CarbonylContact C-O 3.51Å; R81-F100 VanDerWaalsContact CA-O 3.28Å; R81-F100 WeakPolarHBondContact CA-O 3.47Å; R81-D101 IonicContact CZ-OD1 2.94Å; R81-D101 IonicContact NE-OD1 2.58Å; R81-D101 PolarHBondContact NE-OD1 3.31Å; R81-D101 IonicContact NH2-OD1 2.62Å; R81-D101 PolarHBondContact NH2-OD1 3.02Å; R81-M102 VanDerWaalsContact CA-CE 3.41Å; R81-V150 CarbonylContact O-C 3.49Å; R81-V150 WeakPolarHBondContact O-CA 3.24Å; R81-Y151 HydrophobicContact CB-CD2 3.74Å; R81-Y151 HydrophobicContact CB-CG 3.94Å; R81-Y151 HydrophobicContact CG-CD2 3.76Å; R81-Y151 HydrophobicContact CG-CE2 4.16Å; R81-Y151 HydrophobicContact CG-CG 4.38Å; R81-Y151 PolarHBondContact N-O 3.28Å; R81-Y151 PolarHBondContact O-N 3.44Å
82L98.2Very high94.1Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-116.1130.3164.2172.766000106.1F22 L26 I66 L67 F100 M102 L148 L149 V150F22-L82 HydrophobicContact CB-CD2 4.25Å; F22-L82 HydrophobicContact CD1-CD2 4.44Å; F22-L82 HydrophobicContact CD2-CD2 4.33Å; F22-L82 HydrophobicContact CG-CD2 4.12Å; L26-L82 HydrophobicContact CD1-CD2 4.35Å; I66-L82 HydrophobicContact CG2-CD1 4.44Å; L67-L82 HydrophobicContact CD2-CD2 4.22Å; L82-F100 HydrophobicContact CB-CB 4.26Å; L82-F100 HydrophobicContact CB-CD2 4.48Å; L82-F100 HydrophobicContact CD2-CD2 4.45Å; L82-F100 HydrophobicContact CG-CD2 4.33Å; L82-F100 PolarHBondContact N-O 2.86Å; L82-F100 WeakPolarHBondContact O-CD2 3.46Å; L82-F100 PolarHBondContact O-N 3.27Å; L82-M102 HydrophobicContact CB-CE 3.73Å; L82-L148 HydrophobicContact CD1-CD2 4.25Å; L82-L149 CarbonylContact C-O 3.52Å; L82-L149 WeakPolarHBondContact CA-O 3.42Å; L82-V150 HydrophobicContact CD1-CG2 3.91Å
83A98Very high93.9Very high0 Ų044.5 Ų44.50%022%0.224CC..EExtended strand (participates in β ladder)trans-128.4130.117900000110.8I85 W98 L148 L149 Y151A83-I85 HydrophobicContact CB-CD1 3.96Å; A83-W98 CarbonylContact C-O 3.57Å; A83-W98 WeakPolarHBondContact CA-O 3.19Å; A83-L148 CarbonylContact O-C 3.56Å; A83-L148 WeakPolarHBondContact O-CA 3.42Å; A83-L149 HydrophobicContact CB-CB 4.37Å; A83-L149 PolarHBondContact N-O 2.93Å; A83-L149 PolarHBondContact O-N 2.81Å; A83-Y151 HydrophobicContact CB-CE2 4.3Å
84L97.6Very high93.7Very high0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-98.9113.8169.7172.379.5000108.2L26 I29 L30 W98 F146 L148L26-L84 HydrophobicContact CD2-CB 3.9Å; L26-L84 HydrophobicContact CD2-CD1 4.29Å; L26-L84 HydrophobicContact CD2-CD2 4.19Å; L26-L84 HydrophobicContact CD2-CG 4.37Å; I29-L84 HydrophobicContact CB-CD2 3.83Å; I29-L84 HydrophobicContact CD1-CD2 4.05Å; I29-L84 HydrophobicContact CG2-CD2 3.45Å; I29-L84 VanDerWaalsContact CG2-CD2 3.45Å; L30-L84 HydrophobicContact CD2-CD1 4.15Å; L30-L84 HydrophobicContact CD2-CD2 4.48Å; L84-W98 HydrophobicContact CB-CB 4.07Å; L84-W98 PolarHBondContact N-O 2.87Å; L84-W98 PolarHBondContact O-N 3.4Å; L84-F146 HydrophobicContact CD1-CB 4.08Å; L84-F146 HydrophobicContact CD1-CD2 3.25Å; L84-F146 HydrophobicContact CD1-CE2 3.96Å; L84-F146 HydrophobicContact CD1-CG 4Å; L84-L148 HydrophobicContact CB-CD2 3.82Å; L84-L148 HydrophobicContact CD1-CD2 3.65Å; L84-L148 HydrophobicContact CD1-CG 4.34Å; L84-L148 HydrophobicContact CG-CD2 4.39Å
85I95.9Very high93.6Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-100.7127.8-178.7-45.2-55.3000107.8A83 K87 V94 R97 F146 E147 L149 Q168A83-I85 HydrophobicContact CB-CD1 3.96Å; I85-K87 HydrophobicContact CG2-CG 4.2Å; I85-V94 HydrophobicContact CG2-CB 4.4Å; I85-V94 HydrophobicContact CG2-CG1 3.56Å; I85-V94 HydrophobicContact CG2-CG2 4.05Å; I85-R97 HydrophobicContact CD1-CB 4.2Å; I85-R97 HydrophobicContact CD1-CG 3.57Å; I85-F146 CarbonylContact O-C 3.6Å; I85-F146 WeakPolarHBondContact O-CA 3.31Å; I85-F146 WeakPolarHBondContact O-CB 3.43Å; I85-E147 HydrophobicContact CB-CG 3.76Å; I85-E147 HydrophobicContact CG1-CG 4.06Å; I85-E147 PolarHBondContact N-O 2.97Å; I85-E147 PolarHBondContact O-N 3.27Å; I85-L149 HydrophobicContact CD1-CD1 4.09Å; I85-L149 HydrophobicContact CG1-CD1 3.79Å; I85-L149 HydrophobicContact CG1-CG 3.91Å; I85-Q168 HydrophobicContact CD1-CB 4.39Å; I85-Q168 HydrophobicContact CG1-CB 4.38Å; I85-Q168 HydrophobicContact CG2-CB 4.28Å
86I94.4Very high93.6Very high1 Ų143.2 Ų43.21%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-110.3126.4175.4-61.8176.5000108I29 R33 I35 L95 E96 S144 T145I29-I86 HydrophobicContact CG2-CD1 4.28Å; R33-I86 HydrophobicContact CB-CD1 4.02Å; R33-I86 HydrophobicContact CG-CD1 3.72Å; I35-I86 HydrophobicContact CD1-CD1 4.43Å; I35-I86 HydrophobicContact CD1-CG1 4.48Å; I35-I86 HydrophobicContact CD1-CG2 3.99Å; I86-L95 PolarHBondContact O-N 2.88Å; I86-E96 HydrophobicContact CB-CB 4.1Å; I86-E96 HydrophobicContact CD1-CB 4.35Å; I86-E96 PolarHBondContact N-O 2.87Å; I86-E96 PolarHBondContact O-N 3.33Å; I86-S144 VanDerWaalsContact CG2-CB 3.45Å; I86-T145 WeakPolarHBondContact CA-O 3.44Å
87K92.7Very high93.8Very high29 Ų2938.5 Ų38.513%0.12620%0.195CC..EExtended strand (participates in β ladder)trans-122.9150.2-173.9-71.2178.1165.7173.90112.6I85 V89 E93 V94 S144 T145 E147I85-K87 HydrophobicContact CG2-CG 4.2Å; K87-V89 PolarHBondContact O-N 3.37Å; K87-E93 CarbonylContact C-O 3.46Å; K87-E93 VanDerWaalsContact CA-O 3.25Å; K87-E93 WeakPolarHBondContact CA-O 3.49Å; K87-V94 HydrophobicContact CG-CG2 4.38Å; K87-S144 CarbonylContact O-C 3.48Å; K87-S144 WeakPolarHBondContact O-CA 3.47Å; K87-S144 VanDerWaalsContact O-CB 3.29Å; K87-S144 WeakPolarHBondContact O-CB 3.47Å; K87-T145 HydrophobicContact CB-CG2 3.9Å; K87-T145 PolarHBondContact N-O 2.58Å; K87-T145 PolarHBondContact O-N 2.79Å; K87-E147 WeakPolarHBondContact CE-OE1 3.49Å; K87-E147 IonicContact NZ-OE1 2.62Å; K87-E147 PolarHBondContact NZ-OE1 3.04Å
88S91.2Very high94Very high19 Ų1937.9 Ų37.913%0.13319%0.186CC..EExtended strand (participates in β ladder)trans-67.9124.1169.7165.30000110.4K90 T91 E92 E93 L95S88-K90 PolarHBondContact O-N 3.23Å; S88-K90 VanDerWaalsContact O-N 3.16Å; S88-K90 PolarHBondContact OG-N 3.46Å; S88-T91 WeakPolarHBondContact CB-OG1 3.35Å; S88-T91 PolarHBondContact O-N 3.07Å; S88-T91 PolarHBondContact OG-N 3.23Å; S88-T91 PolarHBondContact OG-OG1 3.03Å; S88-E92 WeakPolarHBondContact O-CA 3.26Å; S88-E92 PolarHBondContact O-N 2.77Å; S88-E93 PolarHBondContact N-O 2.95Å; S88-L95 VanDerWaalsContact N-CD1 3.35Å
89V90.1Very high94.1Very high70 Ų7038.2 Ų38.242%0.42419%0.187SC..THydrogen-bonded Turntrans-59.8-27.3175.6175.90000112.1K87 N143K87-V89 PolarHBondContact O-N 3.37Å; V89-N143 PolarHBondContact N-O 3.33Å
90K88.9Confident94.2Very high185 Ų18538.3 Ų38.380%0.80419%0.188SC*.THydrogen-bonded Turntrans-84.3-30.9-175.7-67.2-176.6179.2-179.70113.5S88S88-K90 PolarHBondContact O-N 3.23Å; S88-K90 VanDerWaalsContact O-N 3.16Å; S88-K90 PolarHBondContact OG-N 3.46Å
91T90.5Very high94.3Very high91 Ų9136 Ų3656%0.55818%0.178SC*.THydrogen-bonded Turntrans-127.3-7-166.356.70000113.7S88 E93S88-T91 WeakPolarHBondContact CB-OG1 3.35Å; S88-T91 PolarHBondContact O-N 3.07Å; S88-T91 PolarHBondContact OG-N 3.23Å; S88-T91 PolarHBondContact OG-OG1 3.03Å; T91-E93 PolarHBondContact O-N 2.86Å; T91-E93 WeakPolarHBondContact OG1-CB 3.36Å
92E89.7Confident94.3Very high112 Ų11233.2 Ų33.252%0.52317%0.168SC..  trans56.910.9-171.4-65.5-64.814200113.8S88S88-E92 WeakPolarHBondContact O-CA 3.26Å; S88-E92 PolarHBondContact O-N 2.77Å
93E91.1Very high94.2Very high83 Ų8336.8 Ų36.839%0.38819%0.189SC..  trans-68.7135.6177.5-178.7175.8-143.600110.1K87 S88 T91 L95 K195K87-E93 CarbonylContact C-O 3.46Å; K87-E93 VanDerWaalsContact CA-O 3.25Å; K87-E93 WeakPolarHBondContact CA-O 3.49Å; S88-E93 PolarHBondContact N-O 2.95Å; T91-E93 PolarHBondContact O-N 2.86Å; T91-E93 WeakPolarHBondContact OG1-CB 3.36Å; E93-L95 PolarHBondContact O-N 3.06Å; E93-K195 IonicContact OE1-NZ 3.17Å; E93-K195 PolarHBondContact OE1-NZ 3.38Å; E93-K195 IonicContact OE2-NZ 3.18Å; E93-K195 PolarHBondContact OE2-NZ 2.88Å
94V92.8Very high93.8Very high21 Ų2138.5 Ų38.513%0.12720%0.2CC..EExtended strand (participates in β ladder)trans-72.2118.5173.4-172.90000109.9I85 K87 Q168 I170I85-V94 HydrophobicContact CG2-CB 4.4Å; I85-V94 HydrophobicContact CG2-CG1 3.56Å; I85-V94 HydrophobicContact CG2-CG2 4.05Å; K87-V94 HydrophobicContact CG-CG2 4.38Å; V94-Q168 HydrophobicContact CG2-CB 4.14Å; V94-I170 HydrophobicContact CB-CG1 4.04Å; V94-I170 HydrophobicContact CG1-CD1 4.01Å; V94-I170 HydrophobicContact CG1-CG1 3.51Å
95L92.3Very high93.2Very high20 Ų2041.5 Ų41.511%0.10521%0.214CC..EExtended strand (participates in β ladder)trans-98.9-43.8-176.4-60.8169.6000111.6I86 S88 E93 L142 Y194 K195I86-L95 PolarHBondContact O-N 2.88Å; S88-L95 VanDerWaalsContact N-CD1 3.35Å; E93-L95 PolarHBondContact O-N 3.06Å; L95-L142 HydrophobicContact CB-CD1 4.25Å; L95-L142 HydrophobicContact CD1-CB 4.04Å; L95-L142 HydrophobicContact CD1-CD1 3.46Å; L95-L142 VanDerWaalsContact CD1-CD1 3.46Å; L95-L142 HydrophobicContact CD1-CG 4.33Å; L95-L142 HydrophobicContact CD2-CD1 3.88Å; L95-L142 HydrophobicContact CG-CD1 4.05Å; L95-Y194 WeakPolarHBondContact O-CA 3.37Å; L95-K195 PolarHBondContact O-N 2.69Å; L95-K195 VanDerWaalsContact O-N 3.1Å
96E93.4Very high92Very high3 Ų350.4 Ų50.41%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-139.1149.8178.2-58.3169.4-147.900110.3R33 I86 W98 S193R33-E96 IonicContact CZ-OE1 2.71Å; R33-E96 IonicContact NE-OE1 3.8Å; R33-E96 PolarHBondContact NE-OE1 2.81Å; R33-E96 IonicContact NE-OE2 2.95Å; R33-E96 PolarHBondContact NE-OE2 3.38Å; R33-E96 IonicContact NH2-OE1 3.53Å; R33-E96 PolarHBondContact NH2-OE1 2.73Å; I86-E96 HydrophobicContact CB-CB 4.1Å; I86-E96 HydrophobicContact CD1-CB 4.35Å; I86-E96 PolarHBondContact N-O 2.87Å; I86-E96 PolarHBondContact O-N 3.33Å; E96-W98 PolarHBondContact OE2-NE1 3.32Å; E96-S193 CarbonylContact C-O 3.59Å; E96-S193 VanDerWaalsContact CA-O 3.32Å; E96-S193 WeakPolarHBondContact CA-O 3.41Å
97R95.5Very high90.3Very high3 Ų353.8 Ų53.81%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-139.7106.4177.7176.2161179.1-71.4-9.7108.8I85 Q99 Y151 P167 Q168 I170 S193I85-R97 HydrophobicContact CD1-CB 4.2Å; I85-R97 HydrophobicContact CD1-CG 3.57Å; R97-Q99 HydrophobicContact CG-CG 4.19Å; R97-Q99 VanDerWaalsContact CZ-CD 3.44Å; R97-Q99 VanDerWaalsContact NH1-CG 3.34Å; R97-Y151 PolarHBondContact NH2-OH 3.37Å; R97-P167 PolarHBondContact NE-O 3.29Å; R97-Q168 VanDerWaalsContact CD-O 3.27Å; R97-Q168 WeakPolarHBondContact CD-O 3.3Å; R97-I170 HydrophobicContact CB-CD1 4.05Å; R97-S193 PolarHBondContact N-O 3.33Å; R97-S193 PolarHBondContact O-N 2.74Å
98W97Very high88.8Confident5 Ų560.7 Ų60.72%0.01931%0.312CS..EExtended strand (participates in β ladder)trans-92.5125.4176.4-69.582.8000108.8I29 A83 L84 E96 I132 S135 L139 L178 V192I29-W98 HydrophobicContact CD1-CB 4.17Å; I29-W98 HydrophobicContact CD1-CD2 3.69Å; I29-W98 HydrophobicContact CD1-CE3 3.6Å; I29-W98 HydrophobicContact CD1-CG 3.97Å; I29-W98 HydrophobicContact CD1-CZ3 4.2Å; I29-W98 HydrophobicContact CG1-CD2 4.1Å; I29-W98 HydrophobicContact CG1-CE3 4.07Å; I29-W98 HydrophobicContact CG1-CH2 4.43Å; I29-W98 HydrophobicContact CG1-CZ2 4.47Å; I29-W98 HydrophobicContact CG1-CZ3 4.25Å; I29-W98 HydrophobicContact CG2-CD2 4.09Å; I29-W98 HydrophobicContact CG2-CG 4.2Å; I29-W98 HydrophobicContact CG2-CZ2 4.21Å; A83-W98 CarbonylContact C-O 3.57Å; A83-W98 WeakPolarHBondContact CA-O 3.19Å; L84-W98 HydrophobicContact CB-CB 4.07Å; L84-W98 PolarHBondContact N-O 2.87Å; L84-W98 PolarHBondContact O-N 3.4Å; E96-W98 PolarHBondContact OE2-NE1 3.32Å; W98-I132 HydrophobicContact CH2-CG2 4.35Å; W98-I132 HydrophobicContact CZ3-CG1 3.97Å; W98-I132 HydrophobicContact CZ3-CG2 4.42Å; W98-S135 VanDerWaalsContact CH2-OG 3.25Å; W98-S135 WeakPolarHBondContact CH2-OG 3.38Å; W98-L139 HydrophobicContact CZ2-CD1 3.83Å; W98-L178 HydrophobicContact CZ3-CD1 4.1Å; W98-V192 HydrophobicContact CD2-CB 4.01Å; W98-V192 HydrophobicContact CD2-CG2 3.72Å; W98-V192 HydrophobicContact CE3-CB 3.89Å; W98-V192 HydrophobicContact CE3-CG2 4.11Å; W98-V192 HydrophobicContact CG-CG2 4.21Å; W98-V192 HydrophobicContact CH2-CB 4.26Å; W98-V192 HydrophobicContact CH2-CG2 4.16Å; W98-V192 HydrophobicContact CZ2-CB 4.37Å; W98-V192 HydrophobicContact CZ2-CG2 3.78Å; W98-V192 HydrophobicContact CZ3-CB 4.01Å; W98-V192 HydrophobicContact CZ3-CG1 4.47Å; W98-V192 HydrophobicContact CZ3-CG2 4.31Å
99Q97.5Very high87.3Confident15 Ų1563.5 Ų63.57%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-118.7138-177.3-62.4-177-104.500111.3R81 R97 H190 T191R81-Q99 VanDerWaalsContact CZ-NE2 3.3Å; R97-Q99 HydrophobicContact CG-CG 4.19Å; R97-Q99 VanDerWaalsContact CZ-CD 3.44Å; R97-Q99 VanDerWaalsContact NH1-CG 3.34Å; Q99-H190 VanDerWaalsContact O-CA 3.31Å; Q99-H190 WeakPolarHBondContact O-CA 3.48Å; Q99-T191 PolarHBondContact N-O 2.89Å; Q99-T191 PolarHBondContact O-N 3.3Å; Q99-T191 VanDerWaalsContact O-N 3.09Å
100F98.4Very high85.8Confident3 Ų366 Ų661%0.01335%0.352CS..EExtended strand (participates in β ladder)trans-118.3101.4167.9-52.6-99.7000105.3Y21 F22 A25 L26 I29 R81 L82 M102 V188 D189 H190Y21-F100 HydrophobicContact CE1-CD1 4.29Å; Y21-F100 HydrophobicContact CE1-CE1 4.43Å; F22-F100 HydrophobicContact CD1-CB 4.45Å; F22-F100 AromaticContact CD1-CD1 3.81Å; F22-F100 HydrophobicContact CD1-CD1 3.81Å; F22-F100 HydrophobicContact CD1-CE1 4.36Å; F22-F100 HydrophobicContact CD1-CG 4.22Å; F22-F100 HydrophobicContact CE1-CB 3.89Å; F22-F100 AromaticContact CE1-CD1 3.82Å; F22-F100 HydrophobicContact CE1-CD1 3.82Å; F22-F100 HydrophobicContact CE1-CG 4.1Å; A25-F100 HydrophobicContact CB-CE1 3.77Å; A25-F100 HydrophobicContact CB-CZ 4.05Å; L26-F100 HydrophobicContact CD2-CE2 4.09Å; L26-F100 HydrophobicContact CD2-CZ 4.43Å; I29-F100 HydrophobicContact CD1-CE2 4.44Å; I29-F100 HydrophobicContact CD1-CZ 3.9Å; R81-F100 CarbonylContact C-O 3.51Å; R81-F100 VanDerWaalsContact CA-O 3.28Å; R81-F100 WeakPolarHBondContact CA-O 3.47Å; L82-F100 HydrophobicContact CB-CB 4.26Å; L82-F100 HydrophobicContact CB-CD2 4.48Å; L82-F100 HydrophobicContact CD2-CD2 4.45Å; L82-F100 HydrophobicContact CG-CD2 4.33Å; L82-F100 PolarHBondContact N-O 2.86Å; L82-F100 WeakPolarHBondContact O-CD2 3.46Å; L82-F100 PolarHBondContact O-N 3.27Å; F100-M102 HydrophobicContact CB-CE 4.39Å; F100-M102 WeakPolarHBondContact O-CE 3.21Å; F100-V188 HydrophobicContact CB-CG1 4.11Å; F100-D189 CarbonylContact C-O 3.57Å; F100-D189 WeakPolarHBondContact CA-O 3.32Å; F100-H190 AromaticContact CD1-CD2 3.41Å; F100-H190 VanDerWaalsContact CD1-CD2 3.41Å; F100-H190 WeakPolarHBondContact CD1-CD2 3.2Å; F100-H190 AromaticContact CD1-NE2 3.77Å; F100-H190 AromaticContact CE1-CD2 3.81Å
101D98.2Very high84.6Confident33 Ų3363.8 Ų63.818%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-89.5117.7177.5-70.7-61000108.3R81 V188 D189R81-D101 IonicContact CZ-OD1 2.94Å; R81-D101 IonicContact NE-OD1 2.58Å; R81-D101 PolarHBondContact NE-OD1 3.31Å; R81-D101 IonicContact NH2-OD1 2.62Å; R81-D101 PolarHBondContact NH2-OD1 3.02Å; D101-V188 CarbonylContact O-C 3.53Å; D101-V188 VanDerWaalsContact O-CA 3.26Å; D101-V188 WeakPolarHBondContact O-CA 3.07Å; D101-D189 HydrophobicContact CB-CB 4.26Å; D101-D189 PolarHBondContact N-O 3.31Å; D101-D189 PolarHBondContact O-N 3.05Å
102M97.1Very high83.8Confident4 Ų460.4 Ų60.42%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-100.6138.8-178.7-73.9143.3-79.200110.3F22 V70 L74 V79 H80 R81 L82 F100 R187 V188F22-M102 HydrophobicContact CE2-SD 3.71Å; F22-M102 HydrophobicContact CZ-CE 4.4Å; F22-M102 HydrophobicContact CZ-CG 3.89Å; F22-M102 HydrophobicContact CZ-SD 3.56Å; F22-M102 VanDerWaalsContact CZ-SD 3.56Å; V70-M102 HydrophobicContact CG1-SD 4.4Å; L74-M102 HydrophobicContact CD2-CB 4.28Å; L74-M102 HydrophobicContact CD2-CG 4.03Å; L74-M102 HydrophobicContact CD2-SD 3.93Å; V79-M102 HydrophobicContact CG1-SD 4.09Å; V79-M102 HydrophobicContact CG2-CE 4.15Å; V79-M102 HydrophobicContact CG2-SD 4.17Å; H80-M102 PolarHBondContact O-N 3Å; R81-M102 VanDerWaalsContact CA-CE 3.41Å; L82-M102 HydrophobicContact CB-CE 3.73Å; F100-M102 HydrophobicContact CB-CE 4.39Å; F100-M102 WeakPolarHBondContact O-CE 3.21Å; M102-R187 CarbonylContact C-O 3.57Å; M102-R187 WeakPolarHBondContact CA-O 3.47Å; M102-V188 HydrophobicContact CG-CG2 4.1Å
103T95.2Very high83.4Confident75 Ų7559 Ų5946%0.4633%0.328SS..EExtended strand (participates in β ladder)trans-132.7122172.1-58.60000108.4E105 H186 R187T103-E105 PolarHBondContact O-N 2.98Å; T103-H186 WeakPolarHBondContact O-CA 3.29Å; T103-R187 PolarHBondContact N-O 3.43Å; T103-R187 PolarHBondContact O-N 2.92Å
104T91.2Very high83Confident36 Ų3655 Ų5522%0.22131%0.31CS..EExtended strand (participates in β ladder)trans-77.7112.5169.6-55.30000108.8G77 K106 H186G77-T104 WeakPolarHBondContact CA-OG1 3.41Å; T104-K106 VanDerWaalsContact C-N 3.31Å; T104-K106 HydrophobicContact CG2-CG 4.33Å; T104-K106 PolarHBondContact O-N 3Å; T104-H186 PolarHBondContact OG1-CD2 3.11Å
105E85.3Confident82.7Confident64 Ų6459.7 Ų59.730%0.29934%0.338SS..  trans-79.782.6173.1-62.8-179.8177.700107.1T103 T107 T184 L185 R187T103-E105 PolarHBondContact O-N 2.98Å; E105-T107 PolarHBondContact O-N 3.42Å; E105-T184 VanDerWaalsContact OE2-CA 3.31Å; E105-T184 WeakPolarHBondContact OE2-CA 3.44Å; E105-L185 PolarHBondContact N-O 3.1Å; E105-R187 HydrophobicContact CG-CB 4.44Å; E105-R187 WeakPolarHBondContact OE1-CB 3.09Å
106K69.1Low82.6Confident186 Ų18660.4 Ų60.481%0.80934%0.341SS*.  trans-58.7116.4173.7-69.8-175-178.7179.20108.5T104T104-K106 VanDerWaalsContact C-N 3.31Å; T104-K106 HydrophobicContact CG2-CG 4.33Å; T104-K106 PolarHBondContact O-N 3Å
107T60.3Low82.5Confident72 Ų7262 Ų6244%0.44235%0.352SS..  trans-96.9143.6159.743.90000106.9E105 S109 S112E105-T107 PolarHBondContact O-N 3.42Å; T107-S109 PolarHBondContact O-N 2.86Å; T107-S112 WeakPolarHBondContact OG1-CB 3.37Å
108D61Low82.3Confident175 Ų17566 Ų6694%0.93637%0.373SS*.SBendtrans-61.212.4-162.1-64.8-48.2000116.8
109S58.2Low82.1Confident78 Ų7869.3 Ų69.355%0.54540%0.401SS..SBendtrans-132.9133.6-175.5-590000111T107 N111 S112T107-S109 PolarHBondContact O-N 2.86Å; S109-N111 PolarHBondContact O-N 3.13Å; S109-S112 WeakPolarHBondContact O-CB 3.47Å; S109-S112 PolarHBondContact O-N 3.02Å
110S59.5Low81.9Confident121 Ų12173.6 Ų73.685%0.84642%0.421SS*.THydrogen-bonded Turntrans-59-16.4172.561.70000113.8
111N64.4Low81.7Confident140 Ų14073.5 Ų73.575%0.74942%0.421SS*.THydrogen-bonded Turntrans-99.928.9173.6-70.7-6.7000112.2S109 V113S109-N111 PolarHBondContact O-N 3.13Å; N111-V113 PolarHBondContact O-N 2.92Å; N111-V113 VanDerWaalsContact O-N 3.11Å
112S72.2Confident81.6Confident19 Ų1974.5 Ų74.513%0.13343%0.425CS..  trans-55.3117.9174.656.10000110.2T107 S109 L185T107-S112 WeakPolarHBondContact OG1-CB 3.37Å; S109-S112 WeakPolarHBondContact O-CB 3.47Å; S109-S112 PolarHBondContact O-N 3.02Å; S112-L185 WeakPolarHBondContact OG-CD2 3.29Å
113V82.8Confident81.5Confident82 Ų8277.6 Ų77.650%0.49745%0.447SS..BIsolated β-bridgetrans-110.1137.5171.8-63.50000108.7A8 I9 N111A8-V113 HydrophobicContact CB-CB 3.51Å; A8-V113 HydrophobicContact CB-CG1 4.28Å; A8-V113 HydrophobicContact CB-CG2 3.63Å; I9-V113 CarbonylContact O-C 3.58Å; I9-V113 WeakPolarHBondContact O-CA 3.45Å; N111-V113 PolarHBondContact O-N 2.92Å; N111-V113 VanDerWaalsContact O-N 3.11Å
114G82.3Confident81.6Confident1 Ų176.9 Ų76.91%0.0144%0.438CS..  trans-66.4137.917800000110.6A8 I9 T184A8-G114 WeakPolarHBondContact CA-O 3.17Å; A8-G114 WeakPolarHBondContact CB-O 3.46Å; I9-G114 PolarHBondContact O-N 3.19Å; G114-T184 WeakPolarHBondContact CA-OG1 3.34Å
115T86.5Confident81.9Confident119 Ų11975.2 Ų75.273%0.7343%0.428SS*.  trans-88.2-12.5-178.456.80000112.6T184T115-T184 PolarHBondContact N-OG1 2.74Å
116K90.1Very high82.4Confident35 Ų3573.4 Ų73.415%0.15242%0.419CS..SBendtrans-88.5139.2-177.5-158.9179.3-152.1167.70111.6Q120 I121 E124 S182 T184K116-Q120 HydrophobicContact CD-CB 4.27Å; K116-Q120 HydrophobicContact CG-CB 3.8Å; K116-Q120 VanDerWaalsContact CG-OE1 3.29Å; K116-I121 HydrophobicContact CB-CG1 4.42Å; K116-I121 HydrophobicContact CD-CG1 3.88Å; K116-I121 HydrophobicContact CG-CG1 4.21Å; K116-E124 WeakPolarHBondContact CE-OE1 3.38Å; K116-E124 IonicContact NZ-OE1 2.69Å; K116-E124 PolarHBondContact NZ-OE1 3.23Å; K116-E124 IonicContact NZ-OE2 2.84Å; K116-E124 PolarHBondContact NZ-OE2 3.26Å; K116-S182 WeakPolarHBondContact CD-O 3.18Å; K116-S182 PolarHBondContact NZ-O 3.49Å; K116-S182 VanDerWaalsContact NZ-O 3.1Å; K116-T184 HydrophobicContact CB-CG2 3.89Å
117S91.3Very high83.7Confident36 Ų3664.7 Ų64.725%0.25238%0.382SS..  trans-72.5151.5178.576.10000111.9A119 Q120 I121S117-A119 PolarHBondContact O-N 3.36Å; S117-Q120 VanDerWaalsContact N-OE1 3.1Å; S117-Q120 WeakPolarHBondContact O-CB 3.22Å; S117-Q120 PolarHBondContact O-N 3.06Å; S117-Q120 VanDerWaalsContact O-N 3.1Å; S117-Q120 WeakPolarHBondContact OG-CG 3.25Å; S117-Q120 PolarHBondContact OG-N 3.18Å; S117-Q120 PolarHBondContact OG-OE1 3.44Å; S117-I121 WeakPolarHBondContact O-CG1 3.32Å; S117-I121 PolarHBondContact O-N 3.36Å; S117-I121 VanDerWaalsContact O-N 3.13Å
118L91.2Very high85.5Confident88 Ų8861.3 Ų61.346%0.46136%0.361SS..Hα-helixtrans-57.5-36.2175.1-68.8175.8000112.3I9 L17 Q120 I121 Q122I9-L118 HydrophobicContact CD1-CD2 4.05Å; L17-L118 HydrophobicContact CD1-CD2 3.84Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 2.93Å; L118-I121 HydrophobicContact CD2-CD1 4.47Å; L118-I121 PolarHBondContact O-N 3.26Å; L118-Q122 VanDerWaalsContact O-CB 3.31Å; L118-Q122 WeakPolarHBondContact O-CB 3.23Å; L118-Q122 PolarHBondContact O-N 2.96Å
119A91.8Very high87.1Confident73 Ų7353.1 Ų53.160%0.60332%0.318SS*.Hα-helixtrans-63.2-38.5177.200000112.5S117 S123S117-A119 PolarHBondContact O-N 3.36Å; A119-S123 PolarHBondContact O-N 2.86Å
120Q94Very high88.9Confident106 Ų10655.4 Ų55.450%0.49531%0.314SS..Hα-helixtrans-67.5-44.5175.2-73.9171-40.800111.3K116 S117 L118 Q122 S123 E124K116-Q120 HydrophobicContact CD-CB 4.27Å; K116-Q120 HydrophobicContact CG-CB 3.8Å; K116-Q120 VanDerWaalsContact CG-OE1 3.29Å; S117-Q120 VanDerWaalsContact N-OE1 3.1Å; S117-Q120 WeakPolarHBondContact O-CB 3.22Å; S117-Q120 PolarHBondContact O-N 3.06Å; S117-Q120 VanDerWaalsContact O-N 3.1Å; S117-Q120 WeakPolarHBondContact OG-CG 3.25Å; S117-Q120 PolarHBondContact OG-N 3.18Å; S117-Q120 PolarHBondContact OG-OE1 3.44Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 2.93Å; Q120-Q122 VanDerWaalsContact C-N 3.33Å; Q120-Q122 PolarHBondContact O-N 3.4Å; Q120-S123 WeakPolarHBondContact O-CB 3.44Å; Q120-S123 PolarHBondContact O-N 3.37Å; Q120-E124 PolarHBondContact O-N 3.26Å; Q120-E124 VanDerWaalsContact O-N 3.11Å
121I94.4Very high90.6Very high0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-61.5-43.7177.1-60.9164.7000110.4L17 K116 S117 L118 S123 E124 I125 I181 T183L17-I121 HydrophobicContact CD1-CG2 3.97Å; L17-I121 HydrophobicContact CD2-CG2 3.62Å; L17-I121 HydrophobicContact CG-CG2 4.48Å; K116-I121 HydrophobicContact CB-CG1 4.42Å; K116-I121 HydrophobicContact CD-CG1 3.88Å; K116-I121 HydrophobicContact CG-CG1 4.21Å; S117-I121 WeakPolarHBondContact O-CG1 3.32Å; S117-I121 PolarHBondContact O-N 3.36Å; S117-I121 VanDerWaalsContact O-N 3.13Å; L118-I121 HydrophobicContact CD2-CD1 4.47Å; L118-I121 PolarHBondContact O-N 3.26Å; I121-S123 PolarHBondContact O-N 3.48Å; I121-E124 WeakPolarHBondContact O-CB 3.44Å; I121-E124 PolarHBondContact O-N 3.28Å; I121-I125 HydrophobicContact CG2-CD1 4.09Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 3.07Å; I121-I181 HydrophobicContact CG2-CG2 4.31Å; I121-T183 HydrophobicContact CD1-CG2 4.09Å; I121-T183 HydrophobicContact CG2-CG2 4.11Å
122Q95Very high92Very high55 Ų5545.6 Ų45.626%0.25725%0.251SS..Hα-helixtrans-59.7-44175.9176.7163.9-18.100111.8Y47 D48 L118 Q120 E124 I125 Q126Y47-Q122 HydrophobicContact CD1-CG 4.17Å; D48-Q122 PolarHBondContact OD2-NE2 3.48Å; L118-Q122 VanDerWaalsContact O-CB 3.31Å; L118-Q122 WeakPolarHBondContact O-CB 3.23Å; L118-Q122 PolarHBondContact O-N 2.96Å; Q120-Q122 VanDerWaalsContact C-N 3.33Å; Q120-Q122 PolarHBondContact O-N 3.4Å; Q122-E124 VanDerWaalsContact C-N 3.3Å; Q122-E124 PolarHBondContact O-N 3.23Å; Q122-I125 PolarHBondContact O-N 3.18Å; Q122-Q126 VanDerWaalsContact O-CG 3.28Å; Q122-Q126 WeakPolarHBondContact O-CG 3.48Å; Q122-Q126 PolarHBondContact O-N 3.02Å
123S96.2Very high92.9Very high69 Ų6948.4 Ų48.448%0.48327%0.267SS..Hα-helixtrans-59.9-39.1175.8-173.50000112.6A119 Q120 I121 Q126 G127A119-S123 PolarHBondContact O-N 2.86Å; Q120-S123 WeakPolarHBondContact O-CB 3.44Å; Q120-S123 PolarHBondContact O-N 3.37Å; I121-S123 PolarHBondContact O-N 3.48Å; S123-Q126 PolarHBondContact O-N 3.49Å; S123-G127 PolarHBondContact O-N 2.83Å
124E97.5Very high93.3Very high60 Ų6047.1 Ų47.128%0.2827%0.265SS..Hα-helixtrans-65.5-47174.8-68.8-176.716500112K116 Q120 I121 Q122 Q126 G127 V128 I181 S182K116-E124 WeakPolarHBondContact CE-OE1 3.38Å; K116-E124 IonicContact NZ-OE1 2.69Å; K116-E124 PolarHBondContact NZ-OE1 3.23Å; K116-E124 IonicContact NZ-OE2 2.84Å; K116-E124 PolarHBondContact NZ-OE2 3.26Å; Q120-E124 PolarHBondContact O-N 3.26Å; Q120-E124 VanDerWaalsContact O-N 3.11Å; I121-E124 WeakPolarHBondContact O-CB 3.44Å; I121-E124 PolarHBondContact O-N 3.28Å; Q122-E124 VanDerWaalsContact C-N 3.3Å; Q122-E124 PolarHBondContact O-N 3.23Å; E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 3.33Å; E124-G127 WeakPolarHBondContact O-CA 3.35Å; E124-G127 PolarHBondContact O-N 3.39Å; E124-V128 PolarHBondContact O-N 3.12Å; E124-I181 HydrophobicContact CB-CG1 4.09Å; E124-I181 HydrophobicContact CB-CG2 4.41Å; E124-S182 PolarHBondContact OE2-N 2.69Å
125I96.9Very high93.6Very high1 Ų147.1 Ų47.11%0.00527%0.265CS..Hα-helixtrans-55.6-47.4174.7-73.3166.1000110.6L17 Y21 Y47 I121 Q122 G127 V128 I129 I181L17-I125 HydrophobicContact CD2-CD1 3.77Å; Y21-I125 HydrophobicContact CD2-CB 4.33Å; Y21-I125 HydrophobicContact CD2-CD1 4.5Å; Y21-I125 HydrophobicContact CD2-CG1 3.96Å; Y21-I125 HydrophobicContact CD2-CG2 3.63Å; Y21-I125 HydrophobicContact CE2-CG2 4.14Å; Y21-I125 HydrophobicContact CG-CD1 4.46Å; Y21-I125 HydrophobicContact CG-CG1 4.23Å; Y47-I125 HydrophobicContact CD1-CD1 4.25Å; Y47-I125 HydrophobicContact CD1-CG2 4.18Å; Y47-I125 HydrophobicContact CD2-CG2 3.45Å; Y47-I125 VanDerWaalsContact CD2-CG2 3.45Å; Y47-I125 HydrophobicContact CE1-CD1 3.79Å; Y47-I125 HydrophobicContact CE1-CG2 4.38Å; Y47-I125 HydrophobicContact CE2-CG2 3.68Å; Y47-I125 HydrophobicContact CG-CG2 3.71Å; I121-I125 HydrophobicContact CG2-CD1 4.09Å; I121-I125 WeakPolarHBondContact O-CG1 3.28Å; I121-I125 PolarHBondContact O-N 3.07Å; Q122-I125 PolarHBondContact O-N 3.18Å; I125-G127 VanDerWaalsContact C-N 3.25Å; I125-G127 PolarHBondContact O-N 2.83Å; I125-V128 PolarHBondContact O-N 2.67Å; I125-V128 VanDerWaalsContact O-N 3.17Å; I125-I129 HydrophobicContact CG2-CD1 3.69Å; I125-I129 HydrophobicContact CG2-CG1 4.29Å; I125-I129 WeakPolarHBondContact O-CG1 3.47Å; I125-I129 PolarHBondContact O-N 2.95Å; I125-I181 HydrophobicContact CB-CD1 4.44Å; I125-I181 HydrophobicContact CG1-CD1 3.74Å; I125-I181 HydrophobicContact CG1-CG1 4.31Å; I125-I181 HydrophobicContact CG1-CG2 4.27Å
126Q96.5Very high93.5Very high26 Ų2644.9 Ų44.912%0.12125%0.248CC..Hα-helixtrans-59.1-40.7177.3-68.5177.85.700111.9Y47 L49 Q122 S123 E124 V128 R130Y47-Q126 VanDerWaalsContact O-CD 3.29Å; Y47-Q126 WeakPolarHBondContact O-CG 3.35Å; Y47-Q126 PolarHBondContact O-NE2 3.27Å; L49-Q126 HydrophobicContact CD1-CB 3.92Å; L49-Q126 HydrophobicContact CD1-CG 3.96Å; L49-Q126 HydrophobicContact CG-CB 4.38Å; L49-Q126 HydrophobicContact CG-CG 3.99Å; Q122-Q126 VanDerWaalsContact O-CG 3.28Å; Q122-Q126 WeakPolarHBondContact O-CG 3.48Å; Q122-Q126 PolarHBondContact O-N 3.02Å; S123-Q126 PolarHBondContact O-N 3.49Å; E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 3.33Å; Q126-V128 VanDerWaalsContact C-N 3.35Å; Q126-R130 VanDerWaalsContact CB-NH1 3.32Å; Q126-R130 WeakPolarHBondContact O-CB 3.39Å; Q126-R130 VanDerWaalsContact O-CG 3.24Å; Q126-R130 WeakPolarHBondContact O-CG 3.37Å; Q126-R130 PolarHBondContact O-N 2.8Å
127G96.6Very high93.1Very high3 Ų349.2 Ų49.23%0.03128%0.278CS..Hα-helixtrans-57.5-46.5175.900000112.3S123 E124 I125 Q131S123-G127 PolarHBondContact O-N 2.83Å; E124-G127 WeakPolarHBondContact O-CA 3.35Å; E124-G127 PolarHBondContact O-N 3.39Å; I125-G127 VanDerWaalsContact C-N 3.25Å; I125-G127 PolarHBondContact O-N 2.83Å; G127-Q131 WeakPolarHBondContact O-CG 3.23Å; G127-Q131 PolarHBondContact O-N 3.34Å; G127-Q131 VanDerWaalsContact O-N 3.13Å
128V96.9Very high92.5Very high0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-69.5-45.4179.5-177.80000111.6Y21 E124 I125 Q126 R130 Q131 I132 R179 I181Y21-V128 WeakPolarHBondContact OH-CG1 3.4Å; E124-V128 PolarHBondContact O-N 3.12Å; I125-V128 PolarHBondContact O-N 2.67Å; I125-V128 VanDerWaalsContact O-N 3.17Å; Q126-V128 VanDerWaalsContact C-N 3.35Å; V128-R130 VanDerWaalsContact C-N 3.28Å; V128-R130 PolarHBondContact O-N 3.22Å; V128-Q131 WeakPolarHBondContact O-CA 3.47Å; V128-Q131 WeakPolarHBondContact O-CB 3.48Å; V128-Q131 PolarHBondContact O-N 3.41Å; V128-I132 HydrophobicContact CG1-CD1 4.11Å; V128-I132 HydrophobicContact CG1-CG1 4.4Å; V128-I132 WeakPolarHBondContact O-CG1 3.38Å; V128-I132 PolarHBondContact O-N 2.8Å; V128-R179 HydrophobicContact CG2-CB 4.01Å; V128-R179 VanDerWaalsContact CG2-O 3.29Å; V128-R179 WeakPolarHBondContact CG2-O 3.38Å; V128-I181 HydrophobicContact CB-CD1 4.27Å; V128-I181 HydrophobicContact CG2-CD1 3.88Å; V128-I181 HydrophobicContact CG2-CG1 3.8Å
129I95.6Very high91.8Very high4 Ų447.9 Ų47.92%0.02126%0.264CS..Hα-helixtrans-57.9-42.6177.2-67.8174.1000110.7Y21 Y47 L49 V51 I125 Q131 I132 V133Y21-I129 HydrophobicContact CE2-CG1 4.38Å; Y47-I129 HydrophobicContact CD2-CD1 4.06Å; L49-I129 HydrophobicContact CD1-CB 3.8Å; L49-I129 HydrophobicContact CD1-CD1 4.2Å; L49-I129 HydrophobicContact CD1-CG2 3.72Å; V51-I129 HydrophobicContact CG1-CG2 4.04Å; I125-I129 HydrophobicContact CG2-CD1 3.69Å; I125-I129 HydrophobicContact CG2-CG1 4.29Å; I125-I129 WeakPolarHBondContact O-CG1 3.47Å; I125-I129 PolarHBondContact O-N 2.95Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 3.29Å; I129-I132 WeakPolarHBondContact O-CB 3.46Å; I129-I132 PolarHBondContact O-N 3.03Å; I129-V133 VanDerWaalsContact O-CG2 3.29Å; I129-V133 WeakPolarHBondContact O-CG2 3.29Å; I129-V133 PolarHBondContact O-N 3.12Å
130R95Very high90.8Very high125 Ų12546.9 Ų46.947%0.47225%0.252SS..Hα-helixtrans-62.8-37.4175.2-71.5176.7-169117.81.5112.4Q126 V128 V133 A134Q126-R130 VanDerWaalsContact CB-NH1 3.32Å; Q126-R130 WeakPolarHBondContact O-CB 3.39Å; Q126-R130 VanDerWaalsContact O-CG 3.24Å; Q126-R130 WeakPolarHBondContact O-CG 3.37Å; Q126-R130 PolarHBondContact O-N 2.8Å; V128-R130 VanDerWaalsContact C-N 3.28Å; V128-R130 PolarHBondContact O-N 3.22Å; R130-V133 PolarHBondContact O-N 2.83Å; R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 3.49Å
131Q95.1Very high89.6Confident54 Ų5448.7 Ų48.725%0.25227%0.269SS..Hα-helixtrans-68.6-38.5175-74.8-175.3-60.200112.7G127 V128 I129 A134 S135 L178 R179G127-Q131 WeakPolarHBondContact O-CG 3.23Å; G127-Q131 PolarHBondContact O-N 3.34Å; G127-Q131 VanDerWaalsContact O-N 3.13Å; V128-Q131 WeakPolarHBondContact O-CA 3.47Å; V128-Q131 WeakPolarHBondContact O-CB 3.48Å; V128-Q131 PolarHBondContact O-N 3.41Å; I129-Q131 VanDerWaalsContact C-N 3.32Å; I129-Q131 PolarHBondContact O-N 3.29Å; Q131-A134 PolarHBondContact O-N 3.41Å; Q131-S135 PolarHBondContact O-N 2.92Å; Q131-L178 HydrophobicContact CB-CB 4.5Å; Q131-L178 HydrophobicContact CB-CD1 4.37Å; Q131-L178 HydrophobicContact CB-CD2 4.23Å; Q131-R179 VanDerWaalsContact OE1-CB 3.29Å
132I93.8Very high88.5Confident1 Ų152 Ų521%0.00529%0.287CS..Hα-helixtrans-56.8-51.5171.4-69.1168.8000109A25 I29 Q32 W98 V128 I129 A134 S135 L178A25-I132 HydrophobicContact CB-CD1 4.08Å; I29-I132 HydrophobicContact CG1-CG2 3.62Å; Q32-I132 PolarHBondContact OE1-O 3.12Å; W98-I132 HydrophobicContact CH2-CG2 4.35Å; W98-I132 HydrophobicContact CZ3-CG1 3.97Å; W98-I132 HydrophobicContact CZ3-CG2 4.42Å; V128-I132 HydrophobicContact CG1-CD1 4.11Å; V128-I132 HydrophobicContact CG1-CG1 4.4Å; V128-I132 WeakPolarHBondContact O-CG1 3.38Å; V128-I132 PolarHBondContact O-N 2.8Å; I129-I132 WeakPolarHBondContact O-CB 3.46Å; I129-I132 PolarHBondContact O-N 3.03Å; I132-A134 VanDerWaalsContact C-N 3.34Å; I132-A134 PolarHBondContact O-N 2.85Å; I132-S135 VanDerWaalsContact O-CB 3.25Å; I132-S135 WeakPolarHBondContact O-CB 3.42Å; I132-S135 PolarHBondContact O-N 3.26Å; I132-S135 PolarHBondContact O-OG 2.94Å; I132-L178 HydrophobicContact CG1-CD1 4Å
133V91.6Very high87.9Confident79 Ų7955.1 Ų55.148%0.47931%0.305SS..Hα-helixtrans-56.8-45176.6178.90000112.7I129 R130 S135 N136I129-V133 VanDerWaalsContact O-CG2 3.29Å; I129-V133 WeakPolarHBondContact O-CG2 3.29Å; I129-V133 PolarHBondContact O-N 3.12Å; R130-V133 PolarHBondContact O-N 2.83Å; V133-S135 PolarHBondContact O-N 3.14Å; V133-N136 PolarHBondContact O-N 3.36Å
134A91.1Very high87.6Confident54 Ų5452.5 Ų52.545%0.44629%0.287SS..Hα-helixtrans-63.3-27178.900000112.7R130 Q131 I132 N136 T137R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 3.49Å; Q131-A134 PolarHBondContact O-N 3.41Å; I132-A134 VanDerWaalsContact C-N 3.34Å; I132-A134 PolarHBondContact O-N 2.85Å; A134-N136 PolarHBondContact O-N 2.86Å; A134-T137 PolarHBondContact O-N 2.8Å; A134-T137 PolarHBondContact O-OG1 3.01Å
135S88Confident87.4Confident2 Ų252.4 Ų52.41%0.01429%0.291CS..Hα-helixtrans-62.2-27.4-17878.80000114.1W98 Q131 I132 V133 T137 F138 L139W98-S135 VanDerWaalsContact CH2-OG 3.25Å; W98-S135 WeakPolarHBondContact CH2-OG 3.38Å; Q131-S135 PolarHBondContact O-N 2.92Å; I132-S135 VanDerWaalsContact O-CB 3.25Å; I132-S135 WeakPolarHBondContact O-CB 3.42Å; I132-S135 PolarHBondContact O-N 3.26Å; I132-S135 PolarHBondContact O-OG 2.94Å; V133-S135 PolarHBondContact O-N 3.14Å; S135-T137 PolarHBondContact O-N 2.86Å; S135-F138 VanDerWaalsContact CA-CZ 3.49Å; S135-F138 WeakPolarHBondContact O-CD1 3.35Å; S135-F138 WeakPolarHBondContact O-CG 3.48Å; S135-F138 PolarHBondContact O-N 2.88Å; S135-F138 VanDerWaalsContact O-N 3.12Å; S135-L139 WeakPolarHBondContact O-CG 3.45Å
136N85.4Confident87.3Confident71 Ų7153.5 Ų53.538%0.3830%0.295SS..THydrogen-bonded Turntrans-60.7-20.9-178.5-164.449.2000113Q32 R33 V133 A134 F138Q32-N136 PolarHBondContact O-OD1 3.07Å; R33-N136 PolarHBondContact NH1-OD1 2.95Å; V133-N136 PolarHBondContact O-N 3.36Å; A134-N136 PolarHBondContact O-N 2.86Å; N136-F138 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.38Å
137T81.2Confident87.2Confident127 Ų12754.2 Ų54.278%0.77930%0.299SS*.THydrogen-bonded Turntrans-69.4-19.3179.660.10000114.1A134 S135A134-T137 PolarHBondContact O-N 2.8Å; A134-T137 PolarHBondContact O-OG1 3.01Å; S135-T137 PolarHBondContact O-N 2.86Å
138F79.1Confident87.3Confident86 Ų8654.9 Ų54.938%0.37730%0.301SS..THydrogen-bonded Turntrans-122.93.1-176.659.6-107.6000114.5S135 N136 I176 Y194S135-F138 VanDerWaalsContact CA-CZ 3.49Å; S135-F138 WeakPolarHBondContact O-CD1 3.35Å; S135-F138 WeakPolarHBondContact O-CG 3.48Å; S135-F138 PolarHBondContact O-N 2.88Å; S135-F138 VanDerWaalsContact O-N 3.12Å; N136-F138 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.38Å; F138-I176 HydrophobicContact CD2-CD1 4.31Å; F138-I176 HydrophobicContact CE1-CD1 4.28Å; F138-I176 HydrophobicContact CE2-CD1 3.57Å; F138-I176 HydrophobicContact CZ-CD1 3.54Å; F138-Y194 HydrophobicContact CD2-CE1 4.38Å; F138-Y194 HydrophobicContact CE2-CE1 4.13Å
139L76.3Confident87.2Confident10 Ų1055.5 Ų55.55%0.05231%0.305CS..SBendtrans-104133.6-177.9-65.4173.6000111.6R33 W98 S135 Y194R33-L139 PolarHBondContact NH1-O 3.02Å; W98-L139 HydrophobicContact CZ2-CD1 3.83Å; S135-L139 WeakPolarHBondContact O-CG 3.45Å; L139-Y194 HydrophobicContact CD2-CD1 3.91Å; L139-Y194 HydrophobicContact CD2-CD2 3.85Å; L139-Y194 HydrophobicContact CD2-CE1 4.43Å; L139-Y194 HydrophobicContact CD2-CE2 4.35Å; L139-Y194 HydrophobicContact CD2-CG 3.6Å
140P71.4Confident87.3Confident52 Ų5256.9 Ų56.934%0.33831%0.313SS..  trans-69.8143-173.328.5-35.2000113R33 L142R33-P140 PolarHBondContact NH2-O 3.44Å; P140-L142 HydrophobicContact CB-CD1 4.4Å; P140-L142 HydrophobicContact CB-CG 4.38Å; P140-L142 HydrophobicContact CG-CD1 3.95Å; P140-L142 HydrophobicContact CG-CG 4.44Å; P140-L142 PolarHBondContact O-N 3.17Å
141V68.7Low87.3Confident143 Ų14353.8 Ų53.887%0.86730%0.302SS*.  trans-77.7122.1175.9-177.50000110
142L70.1Confident87.2Confident71 Ų7152.7 Ų52.737%0.37230%0.302SS..  trans-139140.6-174.6-64.1171.1000110.8L95 P140 S144L95-L142 HydrophobicContact CB-CD1 4.25Å; L95-L142 HydrophobicContact CD1-CB 4.04Å; L95-L142 HydrophobicContact CD1-CD1 3.46Å; L95-L142 VanDerWaalsContact CD1-CD1 3.46Å; L95-L142 HydrophobicContact CD1-CG 4.33Å; L95-L142 HydrophobicContact CD2-CD1 3.88Å; L95-L142 HydrophobicContact CG-CD1 4.05Å; P140-L142 HydrophobicContact CB-CD1 4.4Å; P140-L142 HydrophobicContact CB-CG 4.38Å; P140-L142 HydrophobicContact CG-CD1 3.95Å; P140-L142 HydrophobicContact CG-CG 4.44Å; P140-L142 PolarHBondContact O-N 3.17Å; L142-S144 VanDerWaalsContact C-OG 3.3Å; L142-S144 VanDerWaalsContact CB-OG 3.3Å; L142-S144 WeakPolarHBondContact CB-OG 3.49Å; L142-S144 PolarHBondContact O-N 3.02Å; L142-S144 VanDerWaalsContact O-N 3.08Å; L142-S144 PolarHBondContact O-OG 2.95Å
143N83.3Confident87.2Confident120 Ų12055.8 Ų55.864%0.64232%0.319SS*.  trans-69.6105.1168-177.727000108.8V89V89-N143 PolarHBondContact N-O 3.33Å
144S89.3Confident87Confident14 Ų1464.5 Ų64.510%0.09834%0.343CS..EExtended strand (participates in β ladder)trans-133.2147.2-164.1-47.50000111.8I86 K87 L142I86-S144 VanDerWaalsContact CG2-CB 3.45Å; K87-S144 CarbonylContact O-C 3.48Å; K87-S144 WeakPolarHBondContact O-CA 3.47Å; K87-S144 VanDerWaalsContact O-CB 3.29Å; K87-S144 WeakPolarHBondContact O-CB 3.47Å; L142-S144 VanDerWaalsContact C-OG 3.3Å; L142-S144 VanDerWaalsContact CB-OG 3.3Å; L142-S144 WeakPolarHBondContact CB-OG 3.49Å; L142-S144 PolarHBondContact O-N 3.02Å; L142-S144 VanDerWaalsContact O-N 3.08Å; L142-S144 PolarHBondContact O-OG 2.95Å
145T93.1Very high86.9Confident58 Ų5868.3 Ų68.336%0.35636%0.356SS..EExtended strand (participates in β ladder)trans-104.2172.9166.2-171.30000109.2I86 K87I86-T145 WeakPolarHBondContact CA-O 3.44Å; K87-T145 HydrophobicContact CB-CG2 3.9Å; K87-T145 PolarHBondContact N-O 2.58Å; K87-T145 PolarHBondContact O-N 2.79Å
146F95.4Very high87Confident23 Ų2369 Ų6910%0.10136%0.361CS..EExtended strand (participates in β ladder)trans-138161.1175.886.1-75.1000112.7L30 I35 Y36 L59 Y62 L84 I85 L148L30-F146 HydrophobicContact CD1-CE2 4.37Å; L30-F146 HydrophobicContact CD1-CZ 4.19Å; L30-F146 HydrophobicContact CD2-CB 4.21Å; L30-F146 HydrophobicContact CD2-CD1 3.83Å; L30-F146 HydrophobicContact CD2-CD2 3.93Å; L30-F146 HydrophobicContact CD2-CE1 4.15Å; L30-F146 HydrophobicContact CD2-CE2 4.16Å; L30-F146 HydrophobicContact CD2-CG 3.68Å; L30-F146 HydrophobicContact CD2-CZ 4.27Å; I35-F146 HydrophobicContact CG2-CB 4.37Å; I35-F146 HydrophobicContact CG2-CD1 3.6Å; I35-F146 HydrophobicContact CG2-CE1 4.37Å; I35-F146 HydrophobicContact CG2-CG 4.33Å; Y36-F146 HydrophobicContact CE2-CD1 4.22Å; Y36-F146 AromaticContact CE2-CE1 3.62Å; Y36-F146 HydrophobicContact CE2-CE1 3.62Å; L59-F146 HydrophobicContact CD1-CE1 4.1Å; L59-F146 HydrophobicContact CD1-CZ 3.6Å; Y62-F146 HydrophobicContact CD1-CE2 4.33Å; Y62-F146 HydrophobicContact CD1-CZ 4.02Å; Y62-F146 AromaticContact CE1-CE2 3.65Å; Y62-F146 HydrophobicContact CE1-CE2 3.65Å; Y62-F146 AromaticContact CE1-CZ 3.73Å; Y62-F146 HydrophobicContact CE1-CZ 3.73Å; L84-F146 HydrophobicContact CD1-CB 4.08Å; L84-F146 HydrophobicContact CD1-CD2 3.25Å; L84-F146 HydrophobicContact CD1-CE2 3.96Å; L84-F146 HydrophobicContact CD1-CG 4Å; I85-F146 CarbonylContact O-C 3.6Å; I85-F146 WeakPolarHBondContact O-CA 3.31Å; I85-F146 WeakPolarHBondContact O-CB 3.43Å; F146-L148 HydrophobicContact CE2-CG 4.22Å
147E94.9Very high87.1Confident41 Ų4172.3 Ų72.319%0.19238%0.379CS..EExtended strand (participates in β ladder)trans-144.5161.2165.465.7-173.4129.900110.2I85 K87 Q168I85-E147 HydrophobicContact CB-CG 3.76Å; I85-E147 HydrophobicContact CG1-CG 4.06Å; I85-E147 PolarHBondContact N-O 2.97Å; I85-E147 PolarHBondContact O-N 3.27Å; K87-E147 WeakPolarHBondContact CE-OE1 3.49Å; K87-E147 IonicContact NZ-OE1 2.62Å; K87-E147 PolarHBondContact NZ-OE1 3.04Å; E147-Q168 PolarHBondContact OE1-NE2 2.94Å; E147-Q168 PolarHBondContact OE1-OE1 3.24Å; E147-Q168 PolarHBondContact OE2-NE2 2.58Å
148L97.2Very high87.5Confident17 Ų1770.2 Ų70.29%0.08937%0.366CS..EExtended strand (participates in β ladder)trans-111.4133.1174.9-70.4172.9000110.4L26 Y62 L63 I66 L82 A83 L84 F146L26-L148 HydrophobicContact CD1-CD1 4.14Å; L26-L148 HydrophobicContact CD1-CD2 4.22Å; L26-L148 HydrophobicContact CD2-CD2 3.75Å; Y62-L148 HydrophobicContact CE1-CD1 3.79Å; Y62-L148 HydrophobicContact CE1-CG 4.24Å; Y62-L148 PolarHBondContact OH-N 3.01Å; L63-L148 HydrophobicContact CD2-CD1 3.8Å; I66-L148 HydrophobicContact CD1-CB 3.95Å; I66-L148 HydrophobicContact CD1-CD1 3.68Å; I66-L148 HydrophobicContact CD1-CG 4.4Å; I66-L148 HydrophobicContact CG2-CD1 4.28Å; L82-L148 HydrophobicContact CD1-CD2 4.25Å; A83-L148 CarbonylContact O-C 3.56Å; A83-L148 WeakPolarHBondContact O-CA 3.42Å; L84-L148 HydrophobicContact CB-CD2 3.82Å; L84-L148 HydrophobicContact CD1-CD2 3.65Å; L84-L148 HydrophobicContact CD1-CG 4.34Å; L84-L148 HydrophobicContact CG-CD2 4.39Å; F146-L148 HydrophobicContact CE2-CG 4.22Å
149L96.7Very high88Confident14 Ų1467.6 Ų67.67%0.07336%0.358CS..EExtended strand (participates in β ladder)trans-115.1135.9172.4-55.5-177.7000109.5L82 A83 I85 Y151 T165 Q168L82-L149 CarbonylContact C-O 3.52Å; L82-L149 WeakPolarHBondContact CA-O 3.42Å; A83-L149 HydrophobicContact CB-CB 4.37Å; A83-L149 PolarHBondContact N-O 2.93Å; A83-L149 PolarHBondContact O-N 2.81Å; I85-L149 HydrophobicContact CD1-CD1 4.09Å; I85-L149 HydrophobicContact CG1-CD1 3.79Å; I85-L149 HydrophobicContact CG1-CG 3.91Å; L149-Y151 HydrophobicContact CB-CE2 4.01Å; L149-T165 WeakPolarHBondContact CD2-OG1 3.43Å; L149-Q168 HydrophobicContact CD1-CB 4.09Å; L149-Q168 HydrophobicContact CD1-CG 3.84Å
150V96.4Very high88.5Confident33 Ų3374.5 Ų74.520%0.240%0.4CS..EExtended strand (participates in β ladder)trans-118.3132.5173.9-167.10000109.1I66 V70 W73 V79 R81 L82 W162I66-V150 HydrophobicContact CG2-CG2 3.95Å; V70-V150 HydrophobicContact CG2-CG1 4.04Å; V70-V150 HydrophobicContact CG2-CG2 4.07Å; W73-V150 HydrophobicContact CE3-CG1 3.82Å; W73-V150 HydrophobicContact CZ3-CB 4.04Å; W73-V150 HydrophobicContact CZ3-CG1 3.54Å; V79-V150 HydrophobicContact CG2-CG1 3.72Å; R81-V150 CarbonylContact O-C 3.49Å; R81-V150 WeakPolarHBondContact O-CA 3.24Å; L82-V150 HydrophobicContact CD1-CG2 3.91Å; V150-W162 HydrophobicContact CB-CZ3 3.92Å; V150-W162 HydrophobicContact CG2-CH2 3.96Å; V150-W162 HydrophobicContact CG2-CZ3 3.7Å
151Y95.3Very high89.3Confident59 Ų5976.5 Ų76.523%0.23142%0.416CS..EExtended strand (participates in β ladder)trans-109.1113.8177.1-58.9-118.4000106.5H80 R81 A83 R97 L149 P167H80-Y151 PolarHBondContact N-O 3.5Å; R81-Y151 HydrophobicContact CB-CD2 3.74Å; R81-Y151 HydrophobicContact CB-CG 3.94Å; R81-Y151 HydrophobicContact CG-CD2 3.76Å; R81-Y151 HydrophobicContact CG-CE2 4.16Å; R81-Y151 HydrophobicContact CG-CG 4.38Å; R81-Y151 PolarHBondContact N-O 3.28Å; R81-Y151 PolarHBondContact O-N 3.44Å; A83-Y151 HydrophobicContact CB-CE2 4.3Å; R97-Y151 PolarHBondContact NH2-OH 3.37Å; L149-Y151 HydrophobicContact CB-CE2 4.01Å; Y151-P167 HydrophobicContact CE1-CB 4.5Å; Y151-P167 WeakPolarHBondContact OH-CA 3.42Å; Y151-P167 PolarHBondContact OH-O 2.82Å; Y151-P167 VanDerWaalsContact OH-O 3.04Å
152A94Very high90.4Very high31 Ų3172.7 Ų72.726%0.25639%0.386SS..EExtended strand (participates in β ladder)trans-125.1173.5176.100000110.3W73 S78 A156W73-A152 HydrophobicContact CD2-CB 4.11Å; W73-A152 HydrophobicContact CE3-CB 4.01Å; W73-A152 HydrophobicContact CH2-CB 4.42Å; W73-A152 HydrophobicContact CZ2-CB 4.49Å; W73-A152 HydrophobicContact CZ3-CB 4.18Å; S78-A152 CarbonylContact O-C 3.59Å; S78-A152 WeakPolarHBondContact O-CA 3.11Å; S78-A152 WeakPolarHBondContact O-CB 3.37Å; A152-A156 HydrophobicContact CB-CB 3.9Å
153D93Very high91.4Very high66 Ų6677.8 Ų77.835%0.35341%0.408SS..  trans-57148.5173.3-74.5-32.6000111.5S78 H80 N155 A156S78-D153 WeakPolarHBondContact CA-OD2 3.38Å; S78-D153 PolarHBondContact O-N 2.84Å; H80-D153 IonicContact CD2-OD1 2.83Å; H80-D153 IonicContact CE1-OD1 3.54Å; H80-D153 IonicContact NE2-OD1 3.63Å; H80-D153 PolarHBondContact NE2-OD1 2.69Å; D153-N155 VanDerWaalsContact CB-OD1 3.24Å; D153-N155 WeakPolarHBondContact CB-OD1 3.34Å; D153-N155 PolarHBondContact O-N 2.77Å; D153-N155 VanDerWaalsContact O-N 3.09Å; D153-A156 WeakPolarHBondContact O-CB 3.49Å; D153-A156 PolarHBondContact O-N 3.36Å
154R88.2Confident91.6Very high262 Ų26281.5 Ų81.599%0.98942%0.421SS*.THydrogen-bonded Turntrans-61.1-22.4-179-66.3-177.8-179.7178.1-0.3113.9
155N88.8Confident91.5Very high135 Ų13584.4 Ų84.472%0.72244%0.439SS*.THydrogen-bonded Turntrans-101.25.5178.466.1-25.6000112.9D153D153-N155 VanDerWaalsContact CB-OD1 3.24Å; D153-N155 WeakPolarHBondContact CB-OD1 3.34Å; D153-N155 PolarHBondContact O-N 2.77Å; D153-N155 VanDerWaalsContact O-N 3.09Å
156A89.6Confident91.2Very high15 Ų1583.9 Ų83.912%0.12445%0.445CS..SBendtrans-64.6142.6175.500000110.2W73 A152 D153 V158W73-A156 HydrophobicContact CZ2-CB 4.39Å; A152-A156 HydrophobicContact CB-CB 3.9Å; D153-A156 WeakPolarHBondContact O-CB 3.49Å; D153-A156 PolarHBondContact O-N 3.36Å; A156-V158 PolarHBondContact O-N 2.95Å
157N87.8Confident90.8Very high142 Ų14285.5 Ų85.576%0.75946%0.458SS*.  trans-72.895.9176.2-67.4-49.9000109.6
158V89Confident90.5Very high82 Ų8285.1 Ų85.150%0.49746%0.456SS..  trans-79.3131.6178.8-1770000110.3W73 A156 W162W73-V158 HydrophobicContact CZ2-CG2 4.32Å; A156-V158 PolarHBondContact O-N 2.95Å; V158-W162 HydrophobicContact CG1-CB 4Å; V158-W162 HydrophobicContact CG1-CE3 4.5Å
159P89.9Confident90.2Very high32 Ų3290.3 Ų90.321%0.20848%0.478CS..  trans-57.1138.9172.9-25.334.8000112.1Q69 S161 W162Q69-P159 HydrophobicContact CG-CG 3.88Å; P159-S161 PolarHBondContact O-N 3.25Å; P159-S161 VanDerWaalsContact O-N 3.09Å; P159-W162 HydrophobicContact CB-CD2 4.44Å; P159-W162 HydrophobicContact CB-CG 4.15Å; P159-W162 HydrophobicContact CG-CD2 4.17Å; P159-W162 HydrophobicContact CG-CG 4.39Å; P159-W162 HydrophobicContact CG-CZ2 4.23Å; P159-W162 PolarHBondContact O-N 2.7Å; P159-W162 VanDerWaalsContact O-N 3.07Å
160T87.4Confident89.9Confident154 Ų15490.5 Ų90.595%0.94548%0.479SS*.THydrogen-bonded Turntrans-64.3-17.6-176.951.60000114.5W162T160-W162 VanDerWaalsContact C-N 3.3Å
161S88.4Confident89.4Confident95 Ų9594.7 Ų94.766%0.66451%0.505SS*.THydrogen-bonded Turntrans-84.2-1.4177.3610000113.9P159P159-S161 PolarHBondContact O-N 3.25Å; P159-S161 VanDerWaalsContact O-N 3.09Å
162W90.9Very high89Confident63 Ų6399.1 Ų99.124%0.23953%0.532CS..PPolyproline II helixtrans-99.4141.5-177.1-67.122.6000110.1I66 Q69 W73 V150 V158 P159 T160I66-W162 HydrophobicContact CB-CZ2 4.37Å; I66-W162 HydrophobicContact CG1-CZ2 4.06Å; I66-W162 HydrophobicContact CG2-CH2 4.18Å; I66-W162 HydrophobicContact CG2-CZ2 4.5Å; Q69-W162 HydrophobicContact CB-CH2 3.69Å; Q69-W162 HydrophobicContact CB-CZ2 3.72Å; Q69-W162 HydrophobicContact CG-CH2 3.75Å; Q69-W162 HydrophobicContact CG-CZ2 4Å; Q69-W162 HydrophobicContact CG-CZ3 4.41Å; W73-W162 HydrophobicContact CH2-CE3 4.11Å; W73-W162 HydrophobicContact CH2-CH2 4.12Å; W73-W162 AromaticContact CH2-CZ3 3.56Å; W73-W162 HydrophobicContact CH2-CZ3 3.56Å; W73-W162 AromaticContact CZ3-CH2 3.95Å; W73-W162 HydrophobicContact CZ3-CH2 3.95Å; W73-W162 AromaticContact CZ3-CZ3 3.56Å; W73-W162 HydrophobicContact CZ3-CZ3 3.56Å; V150-W162 HydrophobicContact CB-CZ3 3.92Å; V150-W162 HydrophobicContact CG2-CH2 3.96Å; V150-W162 HydrophobicContact CG2-CZ3 3.7Å; V158-W162 HydrophobicContact CG1-CB 4Å; V158-W162 HydrophobicContact CG1-CE3 4.5Å; P159-W162 HydrophobicContact CB-CD2 4.44Å; P159-W162 HydrophobicContact CB-CG 4.15Å; P159-W162 HydrophobicContact CG-CD2 4.17Å; P159-W162 HydrophobicContact CG-CG 4.39Å; P159-W162 HydrophobicContact CG-CZ2 4.23Å; P159-W162 PolarHBondContact O-N 2.7Å; P159-W162 VanDerWaalsContact O-N 3.07Å; T160-W162 VanDerWaalsContact C-N 3.3Å
163E90Very high88.9Confident177 Ų17799.2 Ų99.283%0.82753%0.531SS*.PPolyproline II helixtrans-102.6145.2178.1-64.4-179.5-176.900110.3
164E88Confident88.8Confident198 Ų19897.4 Ų97.493%0.92552%0.522SS*.PPolyproline II helixtrans-79.3128.2170.5-69.9-173.8-176.200110
165T87.2Confident89Confident75 Ų7590.8 Ų90.846%0.4650%0.503SS..  trans-127.3163177.174.50000111.5L149L149-T165 WeakPolarHBondContact CD2-OG1 3.43Å
166G87.3Confident89.3Confident48 Ų4886.8 Ų86.850%0.49548%0.481SS..  trans-64.8173.1168.400000113Q168G166-Q168 VanDerWaalsContact C-N 3.27Å; G166-Q168 WeakPolarHBondContact O-CG 3.38Å; G166-Q168 PolarHBondContact O-N 2.91Å
167P86.3Confident89.6Confident56 Ų5694 Ų9436%0.36451%0.509SS..  trans-74.6-14.2-172.629.4-36.6000115.1R97 Y151 F169R97-P167 PolarHBondContact NE-O 3.29Å; Y151-P167 HydrophobicContact CE1-CB 4.5Å; Y151-P167 WeakPolarHBondContact OH-CA 3.42Å; Y151-P167 PolarHBondContact OH-O 2.82Å; Y151-P167 VanDerWaalsContact OH-O 3.04Å; P167-F169 HydrophobicContact CB-CD1 4.42Å; P167-F169 HydrophobicContact CB-CD2 3.74Å; P167-F169 HydrophobicContact CB-CE1 4.1Å; P167-F169 HydrophobicContact CB-CE2 3.37Å; P167-F169 HydrophobicContact CB-CG 4.25Å; P167-F169 HydrophobicContact CB-CZ 3.57Å; P167-F169 HydrophobicContact CG-CD2 3.53Å; P167-F169 HydrophobicContact CG-CE2 3.43Å; P167-F169 VanDerWaalsContact CG-CE2 3.43Å; P167-F169 HydrophobicContact CG-CG 4.34Å; P167-F169 HydrophobicContact CG-CZ 4.17Å; P167-F169 PolarHBondContact O-N 2.87Å
168Q89.5Confident90Very high34 Ų3488.2 Ų88.216%0.15948%0.478CS..  trans55.947.2178.2-54.6-156.438.700113.9I85 V94 R97 E147 L149 G166I85-Q168 HydrophobicContact CD1-CB 4.39Å; I85-Q168 HydrophobicContact CG1-CB 4.38Å; I85-Q168 HydrophobicContact CG2-CB 4.28Å; V94-Q168 HydrophobicContact CG2-CB 4.14Å; R97-Q168 VanDerWaalsContact CD-O 3.27Å; R97-Q168 WeakPolarHBondContact CD-O 3.3Å; E147-Q168 PolarHBondContact OE1-NE2 2.94Å; E147-Q168 PolarHBondContact OE1-OE1 3.24Å; E147-Q168 PolarHBondContact OE2-NE2 2.58Å; L149-Q168 HydrophobicContact CD1-CB 4.09Å; L149-Q168 HydrophobicContact CD1-CG 3.84Å; G166-Q168 VanDerWaalsContact C-N 3.27Å; G166-Q168 WeakPolarHBondContact O-CG 3.38Å; G166-Q168 PolarHBondContact O-N 2.91Å
169F90.8Very high90.3Very high126 Ų12691.6 Ų91.655%0.55348%0.482SS*.PPolyproline II helixtrans-73.1152.4175.5-62.1-51.9000112.3P167P167-F169 HydrophobicContact CB-CD1 4.42Å; P167-F169 HydrophobicContact CB-CD2 3.74Å; P167-F169 HydrophobicContact CB-CE1 4.1Å; P167-F169 HydrophobicContact CB-CE2 3.37Å; P167-F169 HydrophobicContact CB-CG 4.25Å; P167-F169 HydrophobicContact CB-CZ 3.57Å; P167-F169 HydrophobicContact CG-CD2 3.53Å; P167-F169 HydrophobicContact CG-CE2 3.43Å; P167-F169 VanDerWaalsContact CG-CE2 3.43Å; P167-F169 HydrophobicContact CG-CG 4.34Å; P167-F169 HydrophobicContact CG-CZ 4.17Å; P167-F169 PolarHBondContact O-N 2.87Å
170I89.4Confident90.7Very high18 Ų1891.8 Ų91.89%0.09248%0.484CS..PPolyproline II helixtrans-96125.3176.6-58.1166.3000108.3V94 R97 S173 S193 K195V94-I170 HydrophobicContact CB-CG1 4.04Å; V94-I170 HydrophobicContact CG1-CD1 4.01Å; V94-I170 HydrophobicContact CG1-CG1 3.51Å; R97-I170 HydrophobicContact CB-CD1 4.05Å; I170-S173 PolarHBondContact O-OG 2.91Å; I170-S193 VanDerWaalsContact CD1-O 3.3Å; I170-S193 WeakPolarHBondContact CD1-O 3.42Å; I170-K195 HydrophobicContact CG2-CB 4.06Å
171V86.2Confident91.1Very high121 Ų12184.5 Ų84.573%0.73344%0.439SS*.THydrogen-bonded Turntrans-71.3133.8176.1-177.70000109.6S173V171-S173 VanDerWaalsContact C-N 3.28Å; V171-S173 PolarHBondContact O-N 2.81Å
172N87.3Confident91.4Very high151 Ų15180.6 Ų80.681%0.80741%0.412SS*.THydrogen-bonded Turntrans55.137.5179.9-60.1-33.6000114
173S91Very high91.5Very high33 Ų3377.6 Ų77.623%0.23140%0.401CS..EExtended strand (participates in β ladder)trans-70.3154.8177.750.60000113.5I170 V171 Y194I170-S173 PolarHBondContact O-OG 2.91Å; V171-S173 VanDerWaalsContact C-N 3.28Å; V171-S173 PolarHBondContact O-N 2.81Å; S173-Y194 WeakPolarHBondContact CA-O 2.82Å; S173-Y194 WeakPolarHBondContact CB-O 3.45Å
174T91.6Very high91.5Very high29 Ų2970.8 Ų70.818%0.17837%0.371CS..EExtended strand (participates in β ladder)trans-86.7134.6156.2-57.60000108.3S193 Y194 R196T174-S193 CarbonylContact O-C 3.33Å; T174-S193 VanDerWaalsContact O-CA 3.31Å; T174-S193 WeakPolarHBondContact O-CA 3.38Å; T174-Y194 HydrophobicContact CG2-CE1 3.8Å; T174-Y194 PolarHBondContact N-O 2.91Å; T174-Y194 WeakPolarHBondContact O-CD1 3.46Å; T174-Y194 PolarHBondContact O-N 2.94Å; T174-R196 WeakPolarHBondContact OG1-CG 3.26Å; T174-R196 PolarHBondContact OG1-NE 3.1Å
175E93.6Very high91.8Very high123 Ų12361.4 Ų61.458%0.57533%0.327SS*.EExtended strand (participates in β ladder)trans-114.7132.4177.7-58.2-167.3159.700110.2T191 V192 S193E175-T191 HydrophobicContact CB-CG2 4.28Å; E175-V192 WeakPolarHBondContact CA-O 3.35Å; E175-S193 PolarHBondContact OE1-OG 2.66Å
176I93.6Very high92.1Very high51 Ų5157.8 Ų57.826%0.26231%0.305SS..EExtended strand (participates in β ladder)trans-123.9121.4175.6-60.5175000107.9F138 L178 T191 V192 Y194F138-I176 HydrophobicContact CD2-CD1 4.31Å; F138-I176 HydrophobicContact CE1-CD1 4.28Å; F138-I176 HydrophobicContact CE2-CD1 3.57Å; F138-I176 HydrophobicContact CZ-CD1 3.54Å; I176-L178 HydrophobicContact CG2-CD2 4.1Å; I176-T191 WeakPolarHBondContact O-CA 3.44Å; I176-V192 HydrophobicContact CB-CG1 3.88Å; I176-V192 PolarHBondContact N-O 3.27Å; I176-V192 PolarHBondContact O-N 3.1Å; I176-Y194 HydrophobicContact CD1-CE1 3.69Å; I176-Y194 HydrophobicContact CG1-CE1 4.1Å
177K96.4Very high92.6Very high167 Ų16759.7 Ų59.773%0.72630%0.298SS*.EExtended strand (participates in β ladder)trans-84.1131.9171.3-66-173177.1-175.50109.8H190 T191K177-H190 WeakPolarHBondContact CA-O 3.28Å; K177-T191 HydrophobicContact CG-CG2 4.49Å
178L96.2Very high93.1Very high20 Ų2057 Ų5711%0.10528%0.28CS..EExtended strand (participates in β ladder)trans-95.6177.4170.4-42.2-179.9000109.5W98 Q131 I132 I176 H190W98-L178 HydrophobicContact CZ3-CD1 4.1Å; Q131-L178 HydrophobicContact CB-CB 4.5Å; Q131-L178 HydrophobicContact CB-CD1 4.37Å; Q131-L178 HydrophobicContact CB-CD2 4.23Å; I132-L178 HydrophobicContact CG1-CD1 4Å; I176-L178 HydrophobicContact CG2-CD2 4.1Å; L178-H190 HydrophobicContact CB-CB 3.9Å; L178-H190 HydrophobicContact CD1-CB 4.35Å; L178-H190 HydrophobicContact CG-CB 4.28Å; L178-H190 PolarHBondContact N-O 3.2Å
179R95.8Very high93.6Very high153 Ų15357.7 Ų57.758%0.57729%0.285SS*.EExtended strand (participates in β ladder)trans-61.1151.3175.8-71.9168.2-175.8177.51.9110.7V128 Q131 H190V128-R179 HydrophobicContact CG2-CB 4.01Å; V128-R179 VanDerWaalsContact CG2-O 3.29Å; V128-R179 WeakPolarHBondContact CG2-O 3.38Å; Q131-R179 VanDerWaalsContact OE1-CB 3.29Å; R179-H190 PolarHBondContact O-ND1 3.3Å
180S97.1Very high93.9Very high35 Ų3551.9 Ų51.925%0.24526%0.259CS..EExtended strand (participates in β ladder)trans-88.7156.3173.2-36.40000110.6R187 V188 D189S180-R187 PolarHBondContact OG-NH2 3.39Å; S180-V188 CarbonylContact C-O 3.57Å; S180-V188 WeakPolarHBondContact CA-O 3.09Å; S180-V188 WeakPolarHBondContact CB-O 3.48Å; S180-D189 WeakPolarHBondContact CB-OD1 3.47Å; S180-D189 PolarHBondContact OG-OD1 3.14Å
181I96.3Very high94.3Very high1 Ų151.6 Ų51.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-113.9139167.4-63.3158.4000106.9L18 Y21 I121 E124 I125 V128 R187 V188L18-I181 HydrophobicContact CD2-CG2 4.4Å; Y21-I181 HydrophobicContact CD1-CD1 4.05Å; Y21-I181 HydrophobicContact CD2-CD1 4.18Å; Y21-I181 HydrophobicContact CE1-CD1 3.58Å; Y21-I181 HydrophobicContact CE2-CD1 3.74Å; Y21-I181 HydrophobicContact CG-CD1 4.32Å; Y21-I181 VanDerWaalsContact CZ-CD1 3.41Å; I121-I181 HydrophobicContact CG2-CG2 4.31Å; E124-I181 HydrophobicContact CB-CG1 4.09Å; E124-I181 HydrophobicContact CB-CG2 4.41Å; I125-I181 HydrophobicContact CB-CD1 4.44Å; I125-I181 HydrophobicContact CG1-CD1 3.74Å; I125-I181 HydrophobicContact CG1-CG1 4.31Å; I125-I181 HydrophobicContact CG1-CG2 4.27Å; V128-I181 HydrophobicContact CB-CD1 4.27Å; V128-I181 HydrophobicContact CG2-CD1 3.88Å; V128-I181 HydrophobicContact CG2-CG1 3.8Å; I181-R187 CarbonylContact O-C 3.54Å; I181-R187 WeakPolarHBondContact O-CA 3.31Å; I181-V188 PolarHBondContact N-O 3.03Å; I181-V188 PolarHBondContact O-N 3.01Å
182S94.9Very high94.7Very high14 Ų1445.9 Ų45.910%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-135.6131.61691730000111.1K116 E124 T184 H186K116-S182 WeakPolarHBondContact CD-O 3.18Å; K116-S182 PolarHBondContact NZ-O 3.49Å; K116-S182 VanDerWaalsContact NZ-O 3.1Å; E124-S182 PolarHBondContact OE2-N 2.69Å; S182-T184 PolarHBondContact OG-N 3.12Å; S182-H186 WeakPolarHBondContact CA-O 2.9Å
183T92.7Very high95Very high0 Ų038.8 Ų38.80%019%0.186CC..  trans-94.96170.662.60000111.9S14 L17 L18 I121 L185 H186S14-T183 WeakPolarHBondContact OG-CB 2.9Å; S14-T183 PolarHBondContact OG-OG1 2.97Å; L17-T183 HydrophobicContact CD2-CG2 4.2Å; L18-T183 HydrophobicContact CD2-CG2 4.23Å; L18-T183 HydrophobicContact CG-CG2 4.35Å; I121-T183 HydrophobicContact CD1-CG2 4.09Å; I121-T183 HydrophobicContact CG2-CG2 4.11Å; T183-L185 PolarHBondContact O-N 3.11Å; T183-L185 VanDerWaalsContact O-N 3.12Å; T183-L185 PolarHBondContact OG1-N 2.9Å; T183-H186 PolarHBondContact N-O 3.46Å; T183-H186 PolarHBondContact OG1-N 3.2Å; T183-H186 PolarHBondContact OG1-O 3.13Å
184T91.4Very high95.1Very high33 Ų3339 Ų3920%0.20218%0.182CC..SBendtrans62.23.8-170.559.40000115.8E105 G114 T115 K116 S182E105-T184 VanDerWaalsContact OE2-CA 3.31Å; E105-T184 WeakPolarHBondContact OE2-CA 3.44Å; G114-T184 WeakPolarHBondContact CA-OG1 3.34Å; T115-T184 PolarHBondContact N-OG1 2.74Å; K116-T184 HydrophobicContact CB-CG2 3.89Å; S182-T184 PolarHBondContact OG-N 3.12Å
185L93Very high94.7Very high1 Ų141.5 Ų41.51%0.00519%0.191CC..SBendtrans-121.7-36.8172.3-65.1175.1000110.3I9 S10 L11 E105 S112 T183I9-L185 HydrophobicContact CG2-CD1 4.29Å; I9-L185 VanDerWaalsContact O-CD1 3.27Å; I9-L185 WeakPolarHBondContact O-CD1 3.49Å; S10-L185 VanDerWaalsContact C-CD1 3.46Å; L11-L185 HydrophobicContact CD1-CB 4.39Å; E105-L185 PolarHBondContact N-O 3.1Å; S112-L185 WeakPolarHBondContact OG-CD2 3.29Å; T183-L185 PolarHBondContact O-N 3.11Å; T183-L185 VanDerWaalsContact O-N 3.12Å; T183-L185 PolarHBondContact OG1-N 2.9Å
186H94.9Very high93.8Very high0 Ų044 Ų440%020%0.195CC..EExtended strand (participates in β ladder)trans-129.8141.3171-62.3103.4000109.7L11 S14 L18 L74 T103 T104 S182 T183L11-H186 WeakPolarHBondContact CD1-CE1 3.27Å; S14-H186 PolarHBondContact OG-ND1 3.25Å; L18-H186 HydrophobicContact CD1-CB 3.34Å; L74-H186 PolarHBondContact O-NE2 3.47Å; T103-H186 WeakPolarHBondContact O-CA 3.29Å; T104-H186 PolarHBondContact OG1-CD2 3.11Å; S182-H186 WeakPolarHBondContact CA-O 2.9Å; T183-H186 PolarHBondContact N-O 3.46Å; T183-H186 PolarHBondContact OG1-N 3.2Å; T183-H186 PolarHBondContact OG1-O 3.13Å
187R96.2Very high92.4Very high88 Ų8846.6 Ų46.633%0.33222%0.217SC..EExtended strand (participates in β ladder)trans-113.9139.6168.1178179.7172.695.35.5109.5M102 T103 E105 S180 I181 D189M102-R187 CarbonylContact C-O 3.57Å; M102-R187 WeakPolarHBondContact CA-O 3.47Å; T103-R187 PolarHBondContact N-O 3.43Å; T103-R187 PolarHBondContact O-N 2.92Å; E105-R187 HydrophobicContact CG-CB 4.44Å; E105-R187 WeakPolarHBondContact OE1-CB 3.09Å; S180-R187 PolarHBondContact OG-NH2 3.39Å; I181-R187 CarbonylContact O-C 3.54Å; I181-R187 WeakPolarHBondContact O-CA 3.31Å; R187-D189 IonicContact CZ-OD1 2.79Å; R187-D189 IonicContact CZ-OD2 3.46Å; R187-D189 IonicContact NE-OD1 2.81Å; R187-D189 PolarHBondContact NE-OD1 3.42Å; R187-D189 IonicContact NE-OD2 3.43Å; R187-D189 PolarHBondContact NE-OD2 2.79Å; R187-D189 IonicContact NH2-OD1 2.58Å; R187-D189 PolarHBondContact NH2-OD1 3.11Å; R187-D189 IonicContact NH2-OD2 2.77Å
188V98.2Very high90.2Very high0 Ų049.3 Ų49.30%024%0.237CC..EExtended strand (participates in β ladder)trans-122.4117.7172.8-171.30000109.2L18 F22 F100 D101 M102 S180 I181 H190L18-V188 HydrophobicContact CD1-CG2 3.71Å; L18-V188 HydrophobicContact CD2-CG2 3.79Å; L18-V188 HydrophobicContact CG-CG2 4.36Å; F22-V188 HydrophobicContact CE1-CG1 3.94Å; F22-V188 HydrophobicContact CE1-CG2 4.29Å; F22-V188 HydrophobicContact CZ-CG1 4.29Å; F22-V188 HydrophobicContact CZ-CG2 4.02Å; F100-V188 HydrophobicContact CB-CG1 4.11Å; D101-V188 CarbonylContact O-C 3.53Å; D101-V188 VanDerWaalsContact O-CA 3.26Å; D101-V188 WeakPolarHBondContact O-CA 3.07Å; M102-V188 HydrophobicContact CG-CG2 4.1Å; S180-V188 CarbonylContact C-O 3.57Å; S180-V188 WeakPolarHBondContact CA-O 3.09Å; S180-V188 WeakPolarHBondContact CB-O 3.48Å; I181-V188 PolarHBondContact N-O 3.03Å; I181-V188 PolarHBondContact O-N 3.01Å; V188-H190 VanDerWaalsContact CG1-NE2 3.32Å; V188-H190 WeakPolarHBondContact CG1-NE2 3.41Å; V188-H190 PolarHBondContact O-CE1 2.85Å
189D98.2Very high89.9Confident47 Ų4750.8 Ų50.825%0.25124%0.244SC..EExtended strand (participates in β ladder)trans-99.3146.4169.7-73-64.7000109.8F100 D101 S180 R187F100-D189 CarbonylContact C-O 3.57Å; F100-D189 WeakPolarHBondContact CA-O 3.32Å; D101-D189 HydrophobicContact CB-CB 4.26Å; D101-D189 PolarHBondContact N-O 3.31Å; D101-D189 PolarHBondContact O-N 3.05Å; S180-D189 WeakPolarHBondContact CB-OD1 3.47Å; S180-D189 PolarHBondContact OG-OD1 3.14Å; R187-D189 IonicContact CZ-OD1 2.79Å; R187-D189 IonicContact CZ-OD2 3.46Å; R187-D189 IonicContact NE-OD1 2.81Å; R187-D189 PolarHBondContact NE-OD1 3.42Å; R187-D189 IonicContact NE-OD2 3.43Å; R187-D189 PolarHBondContact NE-OD2 2.79Å; R187-D189 IonicContact NH2-OD1 2.58Å; R187-D189 PolarHBondContact NH2-OD1 3.11Å; R187-D189 IonicContact NH2-OD2 2.77Å
190H98.3Very high89.6Confident5 Ų545.4 Ų45.42%0.02323%0.226CC..EExtended strand (participates in β ladder)trans-125.2133.2-172.7-53.388.2000110.4Y21 Q99 F100 K177 L178 R179 V188Y21-H190 AromaticContact CE1-NE2 3.49Å; Y21-H190 WeakPolarHBondContact CE1-NE2 3.45Å; Y21-H190 AromaticContact CZ-NE2 3.49Å; Y21-H190 PolarHBondContact OH-CD2 3.45Å; Y21-H190 VanDerWaalsContact OH-CD2 3.32Å; Y21-H190 PolarHBondContact OH-NE2 2.74Å; Q99-H190 VanDerWaalsContact O-CA 3.31Å; Q99-H190 WeakPolarHBondContact O-CA 3.48Å; F100-H190 AromaticContact CD1-CD2 3.41Å; F100-H190 VanDerWaalsContact CD1-CD2 3.41Å; F100-H190 WeakPolarHBondContact CD1-CD2 3.2Å; F100-H190 AromaticContact CD1-NE2 3.77Å; F100-H190 AromaticContact CE1-CD2 3.81Å; K177-H190 WeakPolarHBondContact CA-O 3.28Å; L178-H190 HydrophobicContact CB-CB 3.9Å; L178-H190 HydrophobicContact CD1-CB 4.35Å; L178-H190 HydrophobicContact CG-CB 4.28Å; L178-H190 PolarHBondContact N-O 3.2Å; R179-H190 PolarHBondContact O-ND1 3.3Å; V188-H190 VanDerWaalsContact CG1-NE2 3.32Å; V188-H190 WeakPolarHBondContact CG1-NE2 3.41Å; V188-H190 PolarHBondContact O-CE1 2.85Å
191T96.9Very high89.2Confident12 Ų1245.9 Ų45.97%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-136.7135.6174.8-54.70000109.4Q99 E175 I176 K177Q99-T191 PolarHBondContact N-O 2.89Å; Q99-T191 PolarHBondContact O-N 3.3Å; Q99-T191 VanDerWaalsContact O-N 3.09Å; E175-T191 HydrophobicContact CB-CG2 4.28Å; I176-T191 WeakPolarHBondContact O-CA 3.44Å; K177-T191 HydrophobicContact CG-CG2 4.49Å
192V94.8Very high88.8Confident0 Ų048.6 Ų48.60%024%0.238CC..EExtended strand (participates in β ladder)trans-111121.1165.5600000108.7W98 E175 I176W98-V192 HydrophobicContact CD2-CB 4.01Å; W98-V192 HydrophobicContact CD2-CG2 3.72Å; W98-V192 HydrophobicContact CE3-CB 3.89Å; W98-V192 HydrophobicContact CE3-CG2 4.11Å; W98-V192 HydrophobicContact CG-CG2 4.21Å; W98-V192 HydrophobicContact CH2-CB 4.26Å; W98-V192 HydrophobicContact CH2-CG2 4.16Å; W98-V192 HydrophobicContact CZ2-CB 4.37Å; W98-V192 HydrophobicContact CZ2-CG2 3.78Å; W98-V192 HydrophobicContact CZ3-CB 4.01Å; W98-V192 HydrophobicContact CZ3-CG1 4.47Å; W98-V192 HydrophobicContact CZ3-CG2 4.31Å; E175-V192 WeakPolarHBondContact CA-O 3.35Å; I176-V192 HydrophobicContact CB-CG1 3.88Å; I176-V192 PolarHBondContact N-O 3.27Å; I176-V192 PolarHBondContact O-N 3.1Å
193S94.5Very high88.4Confident3 Ų350.8 Ų50.82%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-103.9132.7170.6-50.50000108.3E96 R97 I170 T174 E175E96-S193 CarbonylContact C-O 3.59Å; E96-S193 VanDerWaalsContact CA-O 3.32Å; E96-S193 WeakPolarHBondContact CA-O 3.41Å; R97-S193 PolarHBondContact N-O 3.33Å; R97-S193 PolarHBondContact O-N 2.74Å; I170-S193 VanDerWaalsContact CD1-O 3.3Å; I170-S193 WeakPolarHBondContact CD1-O 3.42Å; T174-S193 CarbonylContact O-C 3.33Å; T174-S193 VanDerWaalsContact O-CA 3.31Å; T174-S193 WeakPolarHBondContact O-CA 3.38Å; E175-S193 PolarHBondContact OE1-OG 2.66Å
194Y91.7Very high88.1Confident36 Ų3654.1 Ų54.114%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-142.4150.317865.5-78.7000111.1L95 F138 L139 S173 T174 I176L95-Y194 WeakPolarHBondContact O-CA 3.37Å; F138-Y194 HydrophobicContact CD2-CE1 4.38Å; F138-Y194 HydrophobicContact CE2-CE1 4.13Å; L139-Y194 HydrophobicContact CD2-CD1 3.91Å; L139-Y194 HydrophobicContact CD2-CD2 3.85Å; L139-Y194 HydrophobicContact CD2-CE1 4.43Å; L139-Y194 HydrophobicContact CD2-CE2 4.35Å; L139-Y194 HydrophobicContact CD2-CG 3.6Å; S173-Y194 WeakPolarHBondContact CA-O 2.82Å; S173-Y194 WeakPolarHBondContact CB-O 3.45Å; T174-Y194 HydrophobicContact CG2-CE1 3.8Å; T174-Y194 PolarHBondContact N-O 2.91Å; T174-Y194 WeakPolarHBondContact O-CD1 3.46Å; T174-Y194 PolarHBondContact O-N 2.94Å; I176-Y194 HydrophobicContact CD1-CE1 3.69Å; I176-Y194 HydrophobicContact CG1-CE1 4.1Å
195K83.8Confident87.9Confident83 Ų8355.6 Ų55.636%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-70133.7175.5-170.2173.1175178.50109.4E93 L95 I170 S197E93-K195 IonicContact OE1-NZ 3.17Å; E93-K195 PolarHBondContact OE1-NZ 3.38Å; E93-K195 IonicContact OE2-NZ 3.18Å; E93-K195 PolarHBondContact OE2-NZ 2.88Å; L95-K195 PolarHBondContact O-N 2.69Å; L95-K195 VanDerWaalsContact O-N 3.1Å; I170-K195 HydrophobicContact CG2-CB 4.06Å; K195-S197 PolarHBondContact O-N 2.78Å
196R74.3Confident87.5Confident176 Ų17659.8 Ų59.866%0.66429%0.288SS*.PPolyproline II helixtrans-64.8126.7166.2-84-175.3-176.9158.9-0.8108.4T174 I198T174-R196 WeakPolarHBondContact OG1-CG 3.26Å; T174-R196 PolarHBondContact OG1-NE 3.1Å; R196-I198 PolarHBondContact O-N 2.93Å
197S65.7Low86.9Confident104 Ų10464.8 Ų64.873%0.72731%0.312SS*.PPolyproline II helixtrans-59.8118.7152.3-175.40000106.1K195K195-S197 PolarHBondContact O-N 2.78Å
198I49.8Very low86Confident224 Ų22462.7 Ų62.7100%1.14931%0.31SS*.  trans-70.90158-58.7175.4000106.8R196R196-I198 PolarHBondContact O-N 2.93Å

Retrieved 198 of 198 residues in 126.6 ms (Link to these results)

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