A0A077ZGU0_TRITR Loading...

Peptidase C26 and Aminoglyc resit domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZGU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M57.5Low90.2Very high215 Ų21533.3 Ų33.3100%1.05917%0.174SC*.  0135.70-172.3167-177.400106.7I34M1-I34 HydrophobicContact CE-CD1 3.46Å; M1-I34 VanDerWaalsContact CE-CD1 3.46Å; M1-I34 HydrophobicContact CG-CD1 3.55Å; M1-I34 HydrophobicContact SD-CD1 4.33Å
2G73.3Confident90.5Very high25 Ų2533.8 Ų33.826%0.25818%0.177SC..PPolyproline II helixtrans-61.8159.6-179.900000113.7G32 I34G2-G32 WeakPolarHBondContact CA-O 3.43Å; G2-I34 WeakPolarHBondContact O-CD1 3.46Å
3P83.4Confident90.4Very high11 Ų1140.5 Ų40.57%0.07121%0.207CC..PPolyproline II helixtrans-60.6140.8172.524.7-33.9000111.7I5 I34 L229 Y232P3-I5 HydrophobicContact CB-CD1 3.98Å; P3-I5 HydrophobicContact CG-CD1 4.18Å; P3-I34 PolarHBondContact O-N 3.11Å; P3-L229 HydrophobicContact CG-CB 4.09Å; P3-L229 HydrophobicContact CG-CD2 4.07Å; P3-Y232 HydrophobicContact CB-CD1 3.81Å; P3-Y232 HydrophobicContact CB-CE1 3.42Å; P3-Y232 VanDerWaalsContact CB-CE1 3.42Å; P3-Y232 HydrophobicContact CG-CD1 4.27Å; P3-Y232 HydrophobicContact CG-CE1 3.71Å
4L93.4Very high90.5Very high47 Ų4749.4 Ų49.425%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-80120.6170.6-169.266.1000109.1I34 L36 I53 C54 S55L4-I34 CarbonylContact C-O 3.54Å; L4-I34 WeakPolarHBondContact CA-O 3.41Å; L4-I34 HydrophobicContact CD1-CB 4.06Å; L4-I34 HydrophobicContact CD1-CG2 3.7Å; L4-L36 HydrophobicContact CD1-CB 3.99Å; L4-L36 HydrophobicContact CD2-CD2 4.06Å; L4-L36 HydrophobicContact CG-CB 4.29Å; L4-L36 HydrophobicContact CG-CD2 4.38Å; L4-I53 HydrophobicContact CD2-CB 4.18Å; L4-I53 HydrophobicContact CD2-CD1 4.11Å; L4-I53 HydrophobicContact CD2-CG1 4.02Å; L4-C54 CarbonylContact O-C 3.45Å; L4-C54 WeakPolarHBondContact O-CA 3.36Å; L4-S55 PolarHBondContact O-N 2.48Å
5I97.5Very high90.7Very high2 Ų259 Ų591%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-110.8118.9-175.5-56.1-56.6000109.7P3 V7 I28 I34 L36 G56 L58 F228 L229P3-I5 HydrophobicContact CB-CD1 3.98Å; P3-I5 HydrophobicContact CG-CD1 4.18Å; I5-V7 HydrophobicContact CG2-CG2 4.38Å; I5-V7 PolarHBondContact O-N 2.65Å; I5-I28 HydrophobicContact CB-CD1 4.21Å; I5-I28 HydrophobicContact CB-CG2 4.27Å; I5-I28 HydrophobicContact CG1-CG2 4.09Å; I5-I28 HydrophobicContact CG2-CD1 3.87Å; I5-I34 PolarHBondContact N-O 2.76Å; I5-L36 PolarHBondContact O-N 3.48Å; I5-G56 CarbonylContact C-O 3.56Å; I5-G56 WeakPolarHBondContact CA-O 3.45Å; I5-L58 HydrophobicContact CG2-CB 4.26Å; I5-F228 HydrophobicContact CD1-CE1 4.32Å; I5-F228 HydrophobicContact CD1-CZ 4.31Å; I5-F228 HydrophobicContact CG1-CE1 4.49Å; I5-F228 HydrophobicContact CG2-CE1 3.83Å; I5-F228 HydrophobicContact CG2-CZ 3.81Å; I5-L229 HydrophobicContact CD1-CD2 3.6Å; I5-L229 HydrophobicContact CG1-CD2 3.49Å; I5-L229 VanDerWaalsContact CG1-CD2 3.49Å
6G98.4Very high90.8Very high0 Ų063.1 Ų63.10%031%0.311CS..EExtended strand (participates in β ladder)trans-72121.4172.300000110.4G56 F57 L58G6-G56 PolarHBondContact N-O 2.8Å; G6-F57 CarbonylContact O-C 3.53Å; G6-F57 VanDerWaalsContact O-CA 3.29Å; G6-F57 WeakPolarHBondContact O-CA 3.43Å; G6-L58 PolarHBondContact O-N 2.81Å
7V98.7Very high91.1Very high0 Ų061.8 Ų61.80%031%0.309CS..EExtended strand (participates in β ladder)trans-111.3123.3-179.2-1730000109.3I5 L20 I28 P35 L36 L38 L58 T60I5-V7 HydrophobicContact CG2-CG2 4.38Å; I5-V7 PolarHBondContact O-N 2.65Å; V7-L20 HydrophobicContact CG1-CD1 3.7Å; V7-L20 HydrophobicContact CG1-CD2 4.01Å; V7-I28 HydrophobicContact CG2-CD1 3.42Å; V7-I28 VanDerWaalsContact CG2-CD1 3.42Å; V7-P35 HydrophobicContact CG2-CB 4.04Å; V7-L36 PolarHBondContact N-O 3.24Å; V7-L38 PolarHBondContact O-N 3.37Å; V7-L58 HydrophobicContact CG1-CD2 4.34Å; V7-T60 HydrophobicContact CG1-CG2 3.79Å
8M98.6Very high91.4Very high0 Ų063.1 Ų63.10%032%0.317CS..PPolyproline II helixtrans-65.6126.7176.7-60.2-56.8142.400110.1L38 F57 L58 F59 T60 M88 E89 F92M8-L38 HydrophobicContact CE-CD1 3.38Å; M8-L38 HydrophobicContact SD-CD1 3.89Å; M8-F57 HydrophobicContact CE-CD1 3.73Å; M8-L58 PolarHBondContact N-O 3.2Å; M8-F59 HydrophobicContact CE-CD1 4.18Å; M8-F59 HydrophobicContact CE-CE1 3.68Å; M8-F59 HydrophobicContact CE-CE2 4.18Å; M8-F59 HydrophobicContact CE-CZ 3.68Å; M8-F59 HydrophobicContact CG-CB 4.28Å; M8-F59 HydrophobicContact CG-CD1 3.59Å; M8-F59 HydrophobicContact CG-CE1 4.01Å; M8-F59 HydrophobicContact CG-CG 3.97Å; M8-F59 HydrophobicContact SD-CD1 4.29Å; M8-F59 HydrophobicContact SD-CE1 4.1Å; M8-T60 WeakPolarHBondContact O-CG2 3.5Å; M8-T60 PolarHBondContact O-OG1 3.36Å; M8-M88 HydrophobicContact SD-CE 3.86Å; M8-E89 HydrophobicContact CB-CG 4.36Å; M8-E89 WeakPolarHBondContact CB-OE1 3.5Å; M8-E89 HydrophobicContact CG-CG 3.93Å; M8-E89 HydrophobicContact SD-CG 3.93Å; M8-F92 HydrophobicContact CE-CB 3.74Å; M8-F92 HydrophobicContact CE-CD2 3.74Å; M8-F92 HydrophobicContact CE-CE2 4.48Å; M8-F92 HydrophobicContact CE-CG 3.81Å; M8-F92 HydrophobicContact SD-CD2 3.89Å
9P98Very high91.7Very high1 Ų165.6 Ų65.61%0.00632%0.322CS..PPolyproline II helixtrans-67.6148.5179.630-37.1000111.3I18 I37 L38 L40 R85 M88P9-I18 HydrophobicContact CB-CB 3.95Å; P9-I18 HydrophobicContact CB-CG2 4.06Å; P9-I18 HydrophobicContact CG-CG2 4.35Å; P9-I37 HydrophobicContact CB-CG2 4Å; P9-L38 WeakPolarHBondContact CD-O 3.26Å; P9-L38 VanDerWaalsContact CG-O 3.29Å; P9-L38 WeakPolarHBondContact CG-O 3.43Å; P9-L40 HydrophobicContact CG-CB 4.22Å; P9-R85 PolarHBondContact O-NE 3.07Å; P9-M88 HydrophobicContact CG-CE 4.26Å
10L97.1Very high92Very high10 Ų1063.7 Ų63.75%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-79.3151.6159.1-58.2173.1000108.8I18 W19 L21 Y24 G61L10-I18 CarbonylContact O-C 3.59Å; L10-I18 VanDerWaalsContact O-CA 3.29Å; L10-I18 WeakPolarHBondContact O-CA 3.35Å; L10-W19 WeakPolarHBondContact CA-O 3.43Å; L10-W19 HydrophobicContact CB-CD2 3.92Å; L10-W19 HydrophobicContact CB-CG 4.15Å; L10-W19 HydrophobicContact CB-CZ2 4.03Å; L10-W19 WeakPolarHBondContact CB-O 3.36Å; L10-W19 HydrophobicContact CD1-CD2 4.11Å; L10-W19 HydrophobicContact CD1-CE3 3.97Å; L10-W19 HydrophobicContact CD1-CH2 3.6Å; L10-W19 HydrophobicContact CD1-CZ2 3.74Å; L10-W19 HydrophobicContact CD1-CZ3 3.73Å; L10-W19 PolarHBondContact N-O 2.67Å; L10-W19 PolarHBondContact O-N 2.82Å; L10-L21 HydrophobicContact CD1-CD1 4.27Å; L10-L21 HydrophobicContact CD1-CG 3.96Å; L10-Y24 HydrophobicContact CD1-CE2 4.44Å; L10-G61 WeakPolarHBondContact CD2-O 3.32Å
11Y96Very high92.2Very high55 Ų5562.8 Ų62.822%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-120.3131.4177.9-176.4-121.5000110.2E13 D16 S17 L40Y11-E13 HydrophobicContact CD1-CB 4.37Å; Y11-E13 HydrophobicContact CE1-CB 3.91Å; Y11-E13 HydrophobicContact CE1-CG 4.23Å; Y11-D16 PolarHBondContact OH-OD1 3.07Å; Y11-S17 WeakPolarHBondContact CD2-O 3.47Å; Y11-L40 HydrophobicContact CD1-CD2 4.39Å; Y11-L40 HydrophobicContact CD2-CD2 3.43Å; Y11-L40 VanDerWaalsContact CD2-CD2 3.43Å; Y11-L40 HydrophobicContact CE2-CD2 3.97Å; Y11-L40 HydrophobicContact CG-CD2 3.68Å
12D93.8Very high94.1Very high39 Ų3956.7 Ų56.721%0.20929%0.286CS..EExtended strand (participates in β ladder)trans-106.7106.3169.7-176.9-30.4000107.4D14 R15 D16 S17D12-D14 PolarHBondContact OD1-N 3.19Å; D12-D14 VanDerWaalsContact OD1-N 3.12Å; D12-R15 HydrophobicContact CB-CB 4.21Å; D12-R15 PolarHBondContact O-N 3.08Å; D12-R15 PolarHBondContact OD1-N 3.02Å; D12-R15 WeakPolarHBondContact OD2-CD 3.42Å; D12-R15 WeakPolarHBondContact OD2-CG 3.5Å; D12-R15 IonicContact OD2-NE 2.63Å; D12-R15 PolarHBondContact OD2-NE 3.45Å; D12-D16 WeakPolarHBondContact O-CA 3.42Å; D12-D16 PolarHBondContact O-N 3.26Å; D12-S17 PolarHBondContact N-O 2.96Å; D12-S17 PolarHBondContact O-N 3.49Å
13E89.7Confident95.3Very high121 Ų12156.2 Ų56.257%0.56528%0.281SS*.THydrogen-bonded Turntrans-68.9-36.2-177.4-172.7176.3-174.200112Y11 R15 D16Y11-E13 HydrophobicContact CD1-CB 4.37Å; Y11-E13 HydrophobicContact CE1-CB 3.91Å; Y11-E13 HydrophobicContact CE1-CG 4.23Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.18Å; E13-D16 PolarHBondContact O-N 3.23Å
14D91.8Very high96Very high166 Ų16655.8 Ų55.889%0.88828%0.278SS*.THydrogen-bonded Turntrans-66.9-33.4179.6-72-33.3000111.5D12D12-D14 PolarHBondContact OD1-N 3.19Å; D12-D14 VanDerWaalsContact OD1-N 3.12Å
15R93.2Very high96.2Very high193 Ų19357.4 Ų57.473%0.72828%0.284SS*.THydrogen-bonded Turntrans-95.2-6.8178.4-63.1-174.1-173.5-171.71.6114.1D12 E13 S17D12-R15 HydrophobicContact CB-CB 4.21Å; D12-R15 PolarHBondContact O-N 3.08Å; D12-R15 PolarHBondContact OD1-N 3.02Å; D12-R15 WeakPolarHBondContact OD2-CD 3.42Å; D12-R15 WeakPolarHBondContact OD2-CG 3.5Å; D12-R15 IonicContact OD2-NE 2.63Å; D12-R15 PolarHBondContact OD2-NE 3.45Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.18Å; R15-S17 VanDerWaalsContact C-N 3.3Å; R15-S17 WeakPolarHBondContact CB-OG 3.43Å; R15-S17 PolarHBondContact O-N 3.3Å
16D92.8Very high96.2Very high125 Ų12560.2 Ų60.267%0.66830%0.299SS*.THydrogen-bonded Turntrans45.753.7-169.5-168.128.2000112Y11 D12 E13Y11-D16 PolarHBondContact OH-OD1 3.07Å; D12-D16 WeakPolarHBondContact O-CA 3.42Å; D12-D16 PolarHBondContact O-N 3.26Å; E13-D16 PolarHBondContact O-N 3.23Å
17S95.7Very high96.2Very high40 Ų4060.3 Ų60.328%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-140.3141.8-171.569.20000113.2Y11 D12 R15Y11-S17 WeakPolarHBondContact CD2-O 3.47Å; D12-S17 PolarHBondContact N-O 2.96Å; D12-S17 PolarHBondContact O-N 3.49Å; R15-S17 VanDerWaalsContact C-N 3.3Å; R15-S17 WeakPolarHBondContact CB-OG 3.43Å; R15-S17 PolarHBondContact O-N 3.3Å
18I96.5Very high96.1Very high86 Ų8660.3 Ų60.344%0.44130%0.3SS..EExtended strand (participates in β ladder)trans-82.8143.2165.361.8170.7000110.3P9 L10 L40P9-I18 HydrophobicContact CB-CB 3.95Å; P9-I18 HydrophobicContact CB-CG2 4.06Å; P9-I18 HydrophobicContact CG-CG2 4.35Å; L10-I18 CarbonylContact O-C 3.59Å; L10-I18 VanDerWaalsContact O-CA 3.29Å; L10-I18 WeakPolarHBondContact O-CA 3.35Å; I18-L40 HydrophobicContact CG2-CB 3.56Å; I18-L40 HydrophobicContact CG2-CD2 4.07Å; I18-L40 HydrophobicContact CG2-CG 4.48Å
19W96.8Very high95.9Very high110 Ų11064.7 Ų64.742%0.41732%0.32SS..EExtended strand (participates in β ladder)trans-151.9174.4178.466.2-75.8000110.7L10 L21L10-W19 WeakPolarHBondContact CA-O 3.43Å; L10-W19 HydrophobicContact CB-CD2 3.92Å; L10-W19 HydrophobicContact CB-CG 4.15Å; L10-W19 HydrophobicContact CB-CZ2 4.03Å; L10-W19 WeakPolarHBondContact CB-O 3.36Å; L10-W19 HydrophobicContact CD1-CD2 4.11Å; L10-W19 HydrophobicContact CD1-CE3 3.97Å; L10-W19 HydrophobicContact CD1-CH2 3.6Å; L10-W19 HydrophobicContact CD1-CZ2 3.74Å; L10-W19 HydrophobicContact CD1-CZ3 3.73Å; L10-W19 PolarHBondContact N-O 2.67Å; L10-W19 PolarHBondContact O-N 2.82Å; W19-L21 HydrophobicContact CH2-CD2 4.14Å; W19-L21 HydrophobicContact CH2-CG 4.13Å; W19-L21 HydrophobicContact CZ3-CD2 3.66Å; W19-L21 HydrophobicContact CZ3-CG 3.72Å
20L97.4Very high95.8Very high27 Ų2769.8 Ų69.814%0.14134%0.344CS..  trans-146141.8176.6-169.970.2000109.6V7 Y24 I37 T60V7-L20 HydrophobicContact CG1-CD1 3.7Å; V7-L20 HydrophobicContact CG1-CD2 4.01Å; L20-Y24 HydrophobicContact CD1-CD2 3.59Å; L20-Y24 HydrophobicContact CD1-CE2 4.38Å; L20-Y24 HydrophobicContact CD1-CG 4.12Å; L20-Y24 HydrophobicContact CG-CD2 4.13Å; L20-I37 HydrophobicContact CB-CD1 3.96Å; L20-I37 HydrophobicContact CD2-CD1 4.03Å; L20-I37 HydrophobicContact CD2-CG1 4.02Å; L20-T60 HydrophobicContact CD1-CG2 3.9Å
21L96.7Very high95.4Very high46 Ų4671 Ų7124%0.24135%0.351CS..  trans-68.8134.2168-74.4167.2000109.7L10 W19 G23 Y24 F213L10-L21 HydrophobicContact CD1-CD1 4.27Å; L10-L21 HydrophobicContact CD1-CG 3.96Å; W19-L21 HydrophobicContact CH2-CD2 4.14Å; W19-L21 HydrophobicContact CH2-CG 4.13Å; W19-L21 HydrophobicContact CZ3-CD2 3.66Å; W19-L21 HydrophobicContact CZ3-CG 3.72Å; L21-G23 PolarHBondContact O-N 3.09Å; L21-G23 VanDerWaalsContact O-N 3.1Å; L21-Y24 HydrophobicContact CB-CD2 3.94Å; L21-Y24 HydrophobicContact CB-CE2 4.2Å; L21-Y24 HydrophobicContact CD1-CE2 4.26Å; L21-Y24 PolarHBondContact O-N 2.83Å; L21-Y24 VanDerWaalsContact O-N 3.13Å; L21-F213 HydrophobicContact CD1-CE1 3.86Å; L21-F213 HydrophobicContact CD1-CZ 3.99Å
22P97.2Very high95Very high87 Ų8770.7 Ų70.757%0.56536%0.363SS*.Hα-helixtrans-54.3-33.4179.9-27.734.9000113.7Y24 Q25 D26P22-Y24 VanDerWaalsContact C-N 3.25Å; P22-Y24 PolarHBondContact O-N 3.18Å; P22-Q25 CarbonylContact O-C 3.57Å; P22-Q25 WeakPolarHBondContact O-CA 3.17Å; P22-Q25 WeakPolarHBondContact O-CB 3.28Å; P22-Q25 PolarHBondContact O-N 3.16Å; P22-D26 PolarHBondContact O-N 3.45Å
23G98.1Very high94.7Very high15 Ų1569.1 Ų69.116%0.15536%0.356CS..Hα-helixtrans-56.3-33.5179.400000114.8L21 D26 L27 E212L21-G23 PolarHBondContact O-N 3.09Å; L21-G23 VanDerWaalsContact O-N 3.1Å; G23-D26 PolarHBondContact O-N 3.09Å; G23-L27 WeakPolarHBondContact O-CB 3.31Å; G23-L27 VanDerWaalsContact O-CG 3.31Å; G23-L27 WeakPolarHBondContact O-CG 3.38Å; G23-L27 PolarHBondContact O-N 2.98Å; G23-E212 VanDerWaalsContact CA-O 3.32Å; G23-E212 WeakPolarHBondContact CA-O 3.47Å
24Y98.5Very high95Very high2 Ų265.9 Ų65.91%0.00834%0.343CS..Hα-helixtrans-67.7-40.6175-70.8-63.1000111.6L10 L20 L21 P22 I28 L58 T60 G61 I106 E212L10-Y24 HydrophobicContact CD1-CE2 4.44Å; L20-Y24 HydrophobicContact CD1-CD2 3.59Å; L20-Y24 HydrophobicContact CD1-CE2 4.38Å; L20-Y24 HydrophobicContact CD1-CG 4.12Å; L20-Y24 HydrophobicContact CG-CD2 4.13Å; L21-Y24 HydrophobicContact CB-CD2 3.94Å; L21-Y24 HydrophobicContact CB-CE2 4.2Å; L21-Y24 HydrophobicContact CD1-CE2 4.26Å; L21-Y24 PolarHBondContact O-N 2.83Å; L21-Y24 VanDerWaalsContact O-N 3.13Å; P22-Y24 VanDerWaalsContact C-N 3.25Å; P22-Y24 PolarHBondContact O-N 3.18Å; Y24-I28 WeakPolarHBondContact O-CG1 3.46Å; Y24-I28 PolarHBondContact O-N 3.09Å; Y24-L58 HydrophobicContact CD1-CD1 4.33Å; Y24-L58 HydrophobicContact CD1-CD2 3.7Å; Y24-L58 HydrophobicContact CE1-CD2 3.94Å; Y24-T60 HydrophobicContact CD1-CG2 4.01Å; Y24-T60 HydrophobicContact CD2-CG2 3.84Å; Y24-T60 HydrophobicContact CE1-CG2 3.87Å; Y24-T60 HydrophobicContact CE2-CG2 3.68Å; Y24-T60 HydrophobicContact CG-CG2 3.99Å; Y24-G61 PolarHBondContact OH-N 3.38Å; Y24-I106 HydrophobicContact CD1-CD1 4.26Å; Y24-I106 HydrophobicContact CE1-CB 4.38Å; Y24-I106 HydrophobicContact CE1-CD1 3.76Å; Y24-I106 HydrophobicContact CE1-CG2 4.23Å; Y24-E212 HydrophobicContact CD1-CB 3.75Å; Y24-E212 HydrophobicContact CD1-CG 3.95Å; Y24-E212 HydrophobicContact CD2-CG 4.22Å; Y24-E212 HydrophobicContact CE1-CB 3.9Å; Y24-E212 HydrophobicContact CE1-CG 3.66Å; Y24-E212 WeakPolarHBondContact CE1-OE1 3.45Å; Y24-E212 HydrophobicContact CE2-CG 3.98Å; Y24-E212 HydrophobicContact CG-CB 4.11Å; Y24-E212 HydrophobicContact CG-CG 4.22Å; Y24-E212 PolarHBondContact OH-OE1 2.96Å
25Q97.5Very high95.3Very high80 Ų8059.3 Ų59.337%0.37431%0.309SS..Hα-helixtrans-66.3-45.3175.8176.9175.5-12.500110.2P22 L27 I28 E29 P35P22-Q25 CarbonylContact O-C 3.57Å; P22-Q25 WeakPolarHBondContact O-CA 3.17Å; P22-Q25 WeakPolarHBondContact O-CB 3.28Å; P22-Q25 PolarHBondContact O-N 3.16Å; Q25-L27 PolarHBondContact O-N 2.88Å; Q25-I28 PolarHBondContact O-N 2.76Å; Q25-I28 VanDerWaalsContact O-N 3.12Å; Q25-E29 HydrophobicContact CG-CG 4.09Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.4Å; Q25-E29 PolarHBondContact NE2-OE1 2.93Å; Q25-E29 PolarHBondContact NE2-OE2 3.48Å; Q25-E29 PolarHBondContact O-N 3.44Å; Q25-P35 HydrophobicContact CB-CG 4.48Å; Q25-P35 HydrophobicContact CG-CG 3.85Å
26D98.1Very high95.5Very high62 Ų6252.4 Ų52.433%0.33229%0.286SS..Hα-helixtrans-59.5-44.2177.8-74.9-39.4000112.2P22 G23 I28 Q30 A216P22-D26 PolarHBondContact O-N 3.45Å; G23-D26 PolarHBondContact O-N 3.09Å; D26-I28 PolarHBondContact O-N 3.32Å; D26-Q30 VanDerWaalsContact O-CB 3.22Å; D26-Q30 WeakPolarHBondContact O-CB 3.25Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.11Å; D26-Q30 PolarHBondContact O-N 2.71Å; D26-Q30 PolarHBondContact OD1-NE2 3.02Å; D26-Q30 VanDerWaalsContact OD1-NE2 3.08Å; D26-A216 HydrophobicContact CB-CB 4.39Å
27L97.4Very high95.8Very high1 Ų150 Ų501%0.00527%0.273CS..Hα-helixtrans-54.8-41.3174.9-82.2175.8000111.9G23 Q25 N31 P211 E212 A216 N221 M225G23-L27 WeakPolarHBondContact O-CB 3.31Å; G23-L27 VanDerWaalsContact O-CG 3.31Å; G23-L27 WeakPolarHBondContact O-CG 3.38Å; G23-L27 PolarHBondContact O-N 2.98Å; Q25-L27 PolarHBondContact O-N 2.88Å; L27-N31 WeakPolarHBondContact O-CB 3.49Å; L27-N31 PolarHBondContact O-ND2 3.42Å; L27-P211 HydrophobicContact CD1-CB 4.07Å; L27-E212 HydrophobicContact CD1-CB 3.77Å; L27-A216 HydrophobicContact CD2-CB 4.28Å; L27-N221 HydrophobicContact CD2-CB 3.78Å; L27-M225 HydrophobicContact CB-CE 4.21Å; L27-M225 HydrophobicContact CB-CG 4.35Å; L27-M225 HydrophobicContact CB-SD 4.18Å; L27-M225 HydrophobicContact CD2-CG 4.11Å; L27-M225 WeakPolarHBondContact O-CE 3.21Å
28I96.6Very high95.9Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-79.4-54.1-176.9-65.1166.5000110.4I5 V7 Y24 Q25 D26 N31 G32 G33 P35 L58 M225I5-I28 HydrophobicContact CB-CD1 4.21Å; I5-I28 HydrophobicContact CB-CG2 4.27Å; I5-I28 HydrophobicContact CG1-CG2 4.09Å; I5-I28 HydrophobicContact CG2-CD1 3.87Å; V7-I28 HydrophobicContact CG2-CD1 3.42Å; V7-I28 VanDerWaalsContact CG2-CD1 3.42Å; Y24-I28 WeakPolarHBondContact O-CG1 3.46Å; Y24-I28 PolarHBondContact O-N 3.09Å; Q25-I28 PolarHBondContact O-N 2.76Å; Q25-I28 VanDerWaalsContact O-N 3.12Å; D26-I28 PolarHBondContact O-N 3.32Å; I28-N31 CarbonylContact O-C 3.34Å; I28-N31 PolarHBondContact O-N 2.93Å; I28-G32 PolarHBondContact O-N 3.39Å; I28-G33 VanDerWaalsContact CG2-C 3.46Å; I28-G33 WeakPolarHBondContact O-CA 3.35Å; I28-G33 PolarHBondContact O-N 3.43Å; I28-P35 HydrophobicContact CB-CB 4.25Å; I28-P35 HydrophobicContact CB-CG 4.43Å; I28-P35 HydrophobicContact CD1-CB 3.9Å; I28-P35 HydrophobicContact CG2-CB 4.07Å; I28-P35 HydrophobicContact CG2-CG 4.24Å; I28-L58 HydrophobicContact CD1-CD1 4.09Å; I28-L58 HydrophobicContact CG1-CD1 4.4Å; I28-M225 HydrophobicContact CB-CE 4.47Å; I28-M225 HydrophobicContact CG1-CE 3.78Å
29E96Very high95.9Very high93 Ų9345.8 Ų45.844%0.43525%0.25SC..Hα-helixtrans-66-44.9-173.3-70.7-176.7179.500112.6Q25 N31 G32 P35Q25-E29 HydrophobicContact CG-CG 4.09Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.4Å; Q25-E29 PolarHBondContact NE2-OE1 2.93Å; Q25-E29 PolarHBondContact NE2-OE2 3.48Å; Q25-E29 PolarHBondContact O-N 3.44Å; E29-N31 PolarHBondContact O-N 3.07Å; E29-G32 PolarHBondContact O-N 2.96Å; E29-P35 HydrophobicContact CG-CG 3.75Å
30Q94.5Very high95.9Very high108 Ų10842.4 Ų42.451%0.50524%0.24SC..THydrogen-bonded Turntrans-71.9-17-177.5-58.3-177.328.500112.3D26 A216D26-Q30 VanDerWaalsContact O-CB 3.22Å; D26-Q30 WeakPolarHBondContact O-CB 3.25Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.11Å; D26-Q30 PolarHBondContact O-N 2.71Å; D26-Q30 PolarHBondContact OD1-NE2 3.02Å; D26-Q30 VanDerWaalsContact OD1-NE2 3.08Å; Q30-A216 HydrophobicContact CB-CB 4.09Å; Q30-A216 HydrophobicContact CG-CB 4.47Å
31N89.4Confident96Very high36 Ų3642.9 Ų42.919%0.19324%0.244CC..THydrogen-bonded Turntrans-102.116.3172.8-66.7-76.5000112.7L27 I28 E29 A216 M225 L229L27-N31 WeakPolarHBondContact O-CB 3.49Å; L27-N31 PolarHBondContact O-ND2 3.42Å; I28-N31 CarbonylContact O-C 3.34Å; I28-N31 PolarHBondContact O-N 2.93Å; E29-N31 PolarHBondContact O-N 3.07Å; N31-A216 PolarHBondContact ND2-O 3.13Å; N31-M225 HydrophobicContact CB-CB 3.6Å; N31-M225 HydrophobicContact CB-CG 4.36Å; N31-L229 HydrophobicContact CB-CD1 3.83Å; N31-L229 WeakPolarHBondContact O-CD1 3.11Å
32G87Confident96Very high47 Ų4743.5 Ų43.549%0.48525%0.249SC..THydrogen-bonded Turntrans85.110.2169.200000115.8G2 I28 E29G2-G32 WeakPolarHBondContact CA-O 3.43Å; I28-G32 PolarHBondContact O-N 3.39Å; E29-G32 PolarHBondContact O-N 2.96Å
33G88.8Confident96Very high6 Ų643 Ų436%0.06224%0.242CC..  trans-89.8172.9170.700000113I28I28-G33 VanDerWaalsContact CG2-C 3.46Å; I28-G33 WeakPolarHBondContact O-CA 3.35Å; I28-G33 PolarHBondContact O-N 3.43Å
34I95.2Very high96Very high54 Ų5446.7 Ų46.728%0.27725%0.254SS..EExtended strand (participates in β ladder)trans-123.6109.7177.5-55.5177.8000108.3M1 G2 P3 L4 I5M1-I34 HydrophobicContact CE-CD1 3.46Å; M1-I34 VanDerWaalsContact CE-CD1 3.46Å; M1-I34 HydrophobicContact CG-CD1 3.55Å; M1-I34 HydrophobicContact SD-CD1 4.33Å; G2-I34 WeakPolarHBondContact O-CD1 3.46Å; P3-I34 PolarHBondContact O-N 3.11Å; L4-I34 CarbonylContact C-O 3.54Å; L4-I34 WeakPolarHBondContact CA-O 3.41Å; L4-I34 HydrophobicContact CD1-CB 4.06Å; L4-I34 HydrophobicContact CD1-CG2 3.7Å; I5-I34 PolarHBondContact N-O 2.76Å
35P97.6Very high96Very high27 Ų2752.9 Ų52.918%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-78.3136.8-178.226.6-26.9000111.9V7 Q25 I28 E29V7-P35 HydrophobicContact CG2-CB 4.04Å; Q25-P35 HydrophobicContact CB-CG 4.48Å; Q25-P35 HydrophobicContact CG-CG 3.85Å; I28-P35 HydrophobicContact CB-CB 4.25Å; I28-P35 HydrophobicContact CB-CG 4.43Å; I28-P35 HydrophobicContact CD1-CB 3.9Å; I28-P35 HydrophobicContact CG2-CB 4.07Å; I28-P35 HydrophobicContact CG2-CG 4.24Å; E29-P35 HydrophobicContact CG-CG 3.75Å
36L97.7Very high96Very high49 Ų4951.9 Ų51.926%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-125.3107.1172.2178.462.4000109.5L4 I5 V7 L38 F50 I53L4-L36 HydrophobicContact CD1-CB 3.99Å; L4-L36 HydrophobicContact CD2-CD2 4.06Å; L4-L36 HydrophobicContact CG-CB 4.29Å; L4-L36 HydrophobicContact CG-CD2 4.38Å; I5-L36 PolarHBondContact O-N 3.48Å; V7-L36 PolarHBondContact N-O 3.24Å; L36-L38 HydrophobicContact CG-CD2 4.46Å; L36-L38 PolarHBondContact O-N 2.8Å; L36-F50 HydrophobicContact CD2-CD1 3.75Å; L36-F50 HydrophobicContact CD2-CE1 3.93Å; L36-F50 HydrophobicContact CG-CE1 4.49Å; L36-I53 HydrophobicContact CD2-CD1 3.8Å
37I98.1Very high96Very high74 Ų7449 Ų4938%0.37927%0.267SS..EExtended strand (participates in β ladder)trans-66.8122.9174.7-55.7176.7000108.8P9 L20P9-I37 HydrophobicContact CB-CG2 4Å; L20-I37 HydrophobicContact CB-CD1 3.96Å; L20-I37 HydrophobicContact CD2-CD1 4.03Å; L20-I37 HydrophobicContact CD2-CG1 4.02Å
38L98.3Very high96Very high0 Ų053.9 Ų53.90%029%0.285CS..PPolyproline II helixtrans-82.3151.8-178.1-60178.4000111.5V7 M8 P9 L36 F50 F57 F92V7-L38 PolarHBondContact O-N 3.37Å; M8-L38 HydrophobicContact CE-CD1 3.38Å; M8-L38 HydrophobicContact SD-CD1 3.89Å; P9-L38 WeakPolarHBondContact CD-O 3.26Å; P9-L38 VanDerWaalsContact CG-O 3.29Å; P9-L38 WeakPolarHBondContact CG-O 3.43Å; L36-L38 HydrophobicContact CG-CD2 4.46Å; L36-L38 PolarHBondContact O-N 2.8Å; L38-F50 HydrophobicContact CD2-CB 3.8Å; L38-F50 HydrophobicContact CD2-CD1 3.36Å; L38-F50 HydrophobicContact CD2-CE1 4.04Å; L38-F50 HydrophobicContact CD2-CG 3.65Å; L38-F57 HydrophobicContact CD1-CD1 3.88Å; L38-F57 HydrophobicContact CD1-CE1 3.79Å; L38-F92 HydrophobicContact CB-CE2 4.49Å; L38-F92 HydrophobicContact CD1-CD2 4.2Å; L38-F92 HydrophobicContact CD1-CE1 4.31Å; L38-F92 HydrophobicContact CD1-CE2 3.8Å; L38-F92 HydrophobicContact CD1-CZ 3.87Å
39P97.2Very high95.9Very high37 Ų3757.3 Ų57.324%0.2431%0.307CS..PPolyproline II helixtrans-72.6138.1177.729.7-34.5000111.2T41 T46 L47 F50P39-T41 HydrophobicContact CB-CG2 4.48Å; P39-T41 HydrophobicContact CG-CG2 4.44Å; P39-T41 PolarHBondContact O-N 3.09Å; P39-T46 HydrophobicContact CG-CG2 4.26Å; P39-L47 HydrophobicContact CG-CD2 4.24Å; P39-F50 HydrophobicContact CG-CD2 4.43Å; P39-F50 HydrophobicContact CG-CE2 3.62Å; P39-F50 HydrophobicContact CG-CZ 3.88Å
40L97.6Very high95.9Very high39 Ų3954.9 Ų54.920%0.20430%0.295CS..  trans-78100171.1-178.264.1000110.6P9 Y11 I18 T84 R85 M88P9-L40 HydrophobicContact CG-CB 4.22Å; Y11-L40 HydrophobicContact CD1-CD2 4.39Å; Y11-L40 HydrophobicContact CD2-CD2 3.43Å; Y11-L40 VanDerWaalsContact CD2-CD2 3.43Å; Y11-L40 HydrophobicContact CE2-CD2 3.97Å; Y11-L40 HydrophobicContact CG-CD2 3.68Å; I18-L40 HydrophobicContact CG2-CB 3.56Å; I18-L40 HydrophobicContact CG2-CD2 4.07Å; I18-L40 HydrophobicContact CG2-CG 4.48Å; L40-T84 HydrophobicContact CD1-CG2 3.89Å; L40-T84 HydrophobicContact CG-CG2 3.93Å; L40-R85 HydrophobicContact CD1-CB 3.96Å; L40-R85 HydrophobicContact CD1-CG 4.37Å; L40-M88 HydrophobicContact CD1-CE 4.2Å; L40-M88 HydrophobicContact CD1-SD 4.04Å
41T97.5Very high95.8Very high38 Ų3850 Ų5023%0.23327%0.273CS..  trans-160154.1178.3-173.90000111.7P39 N43 T46 L47 M88P39-T41 HydrophobicContact CB-CG2 4.48Å; P39-T41 HydrophobicContact CG-CG2 4.44Å; P39-T41 PolarHBondContact O-N 3.09Å; T41-N43 HydrophobicContact CG2-CB 4.43Å; T41-N43 PolarHBondContact OG1-N 2.82Å; T41-T46 HydrophobicContact CG2-CG2 4.07Å; T41-L47 HydrophobicContact CG2-CD2 3.53Å; T41-L47 HydrophobicContact CG2-CG 4.15Å; T41-M88 WeakPolarHBondContact O-CB 3.18Å; T41-M88 WeakPolarHBondContact O-CG 3.38Å
42T97.7Very high95.7Very high58 Ų5853 Ų5336%0.35630%0.296SS..  trans-92.7-0.5170.960.80000112.8K44 T84 E87T42-K44 PolarHBondContact O-N 2.91Å; T42-T84 HydrophobicContact CG2-CG2 4.07Å; T42-E87 HydrophobicContact CG2-CB 3.91Å; T42-E87 HydrophobicContact CG2-CG 3.96Å; T42-E87 VanDerWaalsContact CG2-OE2 3.31Å; T42-E87 WeakPolarHBondContact CG2-OE2 3.35Å
43N98.2Very high95.8Very high77 Ų7755.1 Ų55.141%0.41230%0.296SS..  trans-73.997.6178.9-176.5-4.1000111.4T41 E45 T46 L47T41-N43 HydrophobicContact CG2-CB 4.43Å; T41-N43 PolarHBondContact OG1-N 2.82Å; N43-E45 PolarHBondContact O-N 2.86Å; N43-E45 PolarHBondContact OD1-N 3.18Å; N43-E45 VanDerWaalsContact OD1-N 3.1Å; N43-T46 PolarHBondContact ND2-OG1 3.23Å; N43-T46 WeakPolarHBondContact O-CA 3.29Å; N43-T46 VanDerWaalsContact O-CB 3.29Å; N43-T46 WeakPolarHBondContact O-CB 3.36Å; N43-T46 PolarHBondContact O-N 3.37Å; N43-L47 WeakPolarHBondContact O-CG 3.48Å; N43-L47 PolarHBondContact O-N 3.37Å; N43-L47 VanDerWaalsContact O-N 3.11Å
44K97.8Very high96Very high93 Ų9354.9 Ų54.940%0.40429%0.294SS..Hα-helixtrans-56.8-31.7-179.5-61.8178.6-176176.50114T42 T46 L47 R48 F91T42-K44 PolarHBondContact O-N 2.91Å; K44-T46 VanDerWaalsContact C-N 3.28Å; K44-T46 PolarHBondContact O-N 3.34Å; K44-L47 PolarHBondContact O-N 3.31Å; K44-R48 WeakPolarHBondContact O-CG 3.31Å; K44-R48 PolarHBondContact O-N 2.73Å; K44-F91 HydrophobicContact CB-CE2 4.3Å; K44-F91 HydrophobicContact CB-CZ 4.42Å; K44-F91 HydrophobicContact CD-CD2 4.03Å; K44-F91 HydrophobicContact CD-CE2 4.1Å; K44-F91 HydrophobicContact CG-CD2 4.03Å; K44-F91 HydrophobicContact CG-CE2 4.05Å; K44-F91 HydrophobicContact CG-CG 4.47Å
45E97.7Very high95.8Very high131 Ų13153.8 Ų53.861%0.61229%0.29SS*.Hα-helixtrans-67.2-32.2175.6-58.4-52.7141.600112N43 R48 P49N43-E45 PolarHBondContact O-N 2.86Å; N43-E45 PolarHBondContact OD1-N 3.18Å; N43-E45 VanDerWaalsContact OD1-N 3.1Å; E45-R48 IonicContact OE1-CZ 2.6Å; E45-R48 IonicContact OE1-NH1 3.8Å; E45-R48 PolarHBondContact OE1-NH1 3.29Å; E45-R48 IonicContact OE2-NH1 3.56Å; E45-R48 PolarHBondContact OE2-NH1 2.94Å; E45-P49 VanDerWaalsContact O-CD 3.27Å; E45-P49 WeakPolarHBondContact O-CD 3.47Å
46T97.7Very high95.7Very high60 Ų6052.5 Ų52.537%0.36828%0.282SS..Hα-helixtrans-72.4-36.2171.9-580000111.4P39 T41 N43 K44 P49 F50P39-T46 HydrophobicContact CG-CG2 4.26Å; T41-T46 HydrophobicContact CG2-CG2 4.07Å; N43-T46 PolarHBondContact ND2-OG1 3.23Å; N43-T46 WeakPolarHBondContact O-CA 3.29Å; N43-T46 VanDerWaalsContact O-CB 3.29Å; N43-T46 WeakPolarHBondContact O-CB 3.36Å; N43-T46 PolarHBondContact O-N 3.37Å; K44-T46 VanDerWaalsContact C-N 3.28Å; K44-T46 PolarHBondContact O-N 3.34Å; T46-P49 WeakPolarHBondContact O-CD 3.45Å; T46-F50 WeakPolarHBondContact O-CD2 3.44Å; T46-F50 VanDerWaalsContact O-CE2 3.26Å; T46-F50 WeakPolarHBondContact O-CE2 3.14Å
47L98Very high95.8Very high1 Ų150.1 Ų50.11%0.00527%0.27CS..Hα-helixtrans-78.2-37.8-174.9-60.2-175.6000113.5P39 T41 N43 K44 F50 M88 F91 F92P39-L47 HydrophobicContact CG-CD2 4.24Å; T41-L47 HydrophobicContact CG2-CD2 3.53Å; T41-L47 HydrophobicContact CG2-CG 4.15Å; N43-L47 WeakPolarHBondContact O-CG 3.48Å; N43-L47 PolarHBondContact O-N 3.37Å; N43-L47 VanDerWaalsContact O-N 3.11Å; K44-L47 PolarHBondContact O-N 3.31Å; L47-F50 WeakPolarHBondContact O-CB 3.5Å; L47-F50 WeakPolarHBondContact O-CD2 3.24Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-M88 HydrophobicContact CD1-CB 4.49Å; L47-M88 HydrophobicContact CD1-CG 3.85Å; L47-M88 HydrophobicContact CD2-CG 4.21Å; L47-F91 HydrophobicContact CB-CD1 3.93Å; L47-F91 HydrophobicContact CB-CE1 3.54Å; L47-F91 HydrophobicContact CD1-CD1 3.52Å; L47-F91 HydrophobicContact CD1-CE1 4.03Å; L47-F91 HydrophobicContact CD1-CG 4.29Å; L47-F91 HydrophobicContact CG-CD1 4.4Å; L47-F91 HydrophobicContact CG-CE1 4.46Å; L47-F92 HydrophobicContact CB-CE1 4.24Å; L47-F92 HydrophobicContact CB-CE2 4.21Å; L47-F92 HydrophobicContact CB-CZ 3.73Å; L47-F92 HydrophobicContact CD1-CE2 4.08Å; L47-F92 HydrophobicContact CD1-CZ 4.44Å; L47-F92 HydrophobicContact CD2-CE2 3.68Å; L47-F92 HydrophobicContact CD2-CZ 3.79Å; L47-F92 HydrophobicContact CG-CE2 4.18Å; L47-F92 HydrophobicContact CG-CZ 4.17Å
48R96.6Very high95.8Very high104 Ų10446.6 Ų46.639%0.39225%0.252SS..Hα-helixtrans-54.5-42.3-174.4-81.3-171.6-167.4103.7-2.6115.4K44 E45 F50 L51 F91K44-R48 WeakPolarHBondContact O-CG 3.31Å; K44-R48 PolarHBondContact O-N 2.73Å; E45-R48 IonicContact OE1-CZ 2.6Å; E45-R48 IonicContact OE1-NH1 3.8Å; E45-R48 PolarHBondContact OE1-NH1 3.29Å; E45-R48 IonicContact OE2-NH1 3.56Å; E45-R48 PolarHBondContact OE2-NH1 2.94Å; R48-F50 PolarHBondContact O-N 2.82Å; R48-F50 VanDerWaalsContact O-N 3.1Å; R48-L51 WeakPolarHBondContact O-CB 3.46Å; R48-L51 PolarHBondContact O-N 3.24Å; R48-F91 HydrophobicContact CG-CZ 3.89Å
49P95Very high95.8Very high71 Ų7146.6 Ų46.646%0.46125%0.252SS..Hα-helixtrans-56-29.5177.9-28.136.1000113.7E45 T46 S52 I53E45-P49 VanDerWaalsContact O-CD 3.27Å; E45-P49 WeakPolarHBondContact O-CD 3.47Å; T46-P49 WeakPolarHBondContact O-CD 3.45Å; P49-S52 PolarHBondContact O-N 3.17Å; P49-I53 PolarHBondContact O-N 3.14Å
50F96.7Very high95.9Very high42 Ų4244.9 Ų44.918%0.18424%0.24CC..Hα-helixtrans-68.9-34.3177.8-63.9-82.3000112.6L36 L38 P39 T46 L47 R48 S52 I53 C54 F92L36-F50 HydrophobicContact CD2-CD1 3.75Å; L36-F50 HydrophobicContact CD2-CE1 3.93Å; L36-F50 HydrophobicContact CG-CE1 4.49Å; L38-F50 HydrophobicContact CD2-CB 3.8Å; L38-F50 HydrophobicContact CD2-CD1 3.36Å; L38-F50 HydrophobicContact CD2-CE1 4.04Å; L38-F50 HydrophobicContact CD2-CG 3.65Å; P39-F50 HydrophobicContact CG-CD2 4.43Å; P39-F50 HydrophobicContact CG-CE2 3.62Å; P39-F50 HydrophobicContact CG-CZ 3.88Å; T46-F50 WeakPolarHBondContact O-CD2 3.44Å; T46-F50 VanDerWaalsContact O-CE2 3.26Å; T46-F50 WeakPolarHBondContact O-CE2 3.14Å; L47-F50 WeakPolarHBondContact O-CB 3.5Å; L47-F50 WeakPolarHBondContact O-CD2 3.24Å; L47-F50 PolarHBondContact O-N 2.94Å; R48-F50 PolarHBondContact O-N 2.82Å; R48-F50 VanDerWaalsContact O-N 3.1Å; F50-S52 VanDerWaalsContact C-N 3.25Å; F50-S52 PolarHBondContact O-N 2.7Å; F50-I53 HydrophobicContact CD1-CD1 4.1Å; F50-I53 PolarHBondContact O-N 2.9Å; F50-C54 VanDerWaalsContact O-CB 3.27Å; F50-C54 WeakPolarHBondContact O-CB 3.25Å; F50-C54 PolarHBondContact O-N 2.49Å; F50-C54 PolarHBondContact O-SG 3.43Å; F50-C54 VanDerWaalsContact O-SG 3.38Å; F50-F92 HydrophobicContact CB-CE1 4.02Å; F50-F92 HydrophobicContact CB-CZ 4.11Å
51L91.5Very high95.9Very high5 Ų543 Ų433%0.02623%0.231CC..Hα-helixtrans-57.1-43.4171.4-67165.8000110.1R48 F57 F91 F92 E95 V96 K101R48-L51 WeakPolarHBondContact O-CB 3.46Å; R48-L51 PolarHBondContact O-N 3.24Å; L51-F57 HydrophobicContact CD2-CE2 4.3Å; L51-F57 HydrophobicContact CD2-CZ 4.02Å; L51-F91 HydrophobicContact CD1-CE1 4.16Å; L51-F91 HydrophobicContact CD1-CZ 4.08Å; L51-F92 HydrophobicContact CD2-CD1 3.87Å; L51-F92 HydrophobicContact CD2-CE1 4.35Å; L51-F92 HydrophobicContact CG-CD1 4.21Å; L51-F92 HydrophobicContact CG-CE1 4.24Å; L51-E95 HydrophobicContact CD1-CB 3.61Å; L51-E95 HydrophobicContact CD1-CG 3.96Å; L51-E95 HydrophobicContact CD2-CB 3.85Å; L51-E95 HydrophobicContact CG-CB 4.41Å; L51-V96 HydrophobicContact CD2-CG2 3.83Å; L51-K101 PolarHBondContact O-NZ 2.67Å
52S87.3Confident95.8Very high99 Ų9943.6 Ų43.669%0.69224%0.244SC*.Hα-helixtrans-70.1-34.8-177.2-51.40000114.3P49 F50P49-S52 PolarHBondContact O-N 3.17Å; F50-S52 VanDerWaalsContact C-N 3.25Å; F50-S52 PolarHBondContact O-N 2.7Å
53I89.1Confident95.7Very high92 Ų9242.2 Ų42.247%0.47223%0.234SC..Hα-helixtrans-92-25.5-17566178000113.6L4 L36 P49 F50L4-I53 HydrophobicContact CD2-CB 4.18Å; L4-I53 HydrophobicContact CD2-CD1 4.11Å; L4-I53 HydrophobicContact CD2-CG1 4.02Å; L36-I53 HydrophobicContact CD2-CD1 3.8Å; P49-I53 PolarHBondContact O-N 3.14Å; F50-I53 HydrophobicContact CD1-CD1 4.1Å; F50-I53 PolarHBondContact O-N 2.9Å
54C94.5Very high95.7Very high2 Ų239 Ų391%0.01422%0.217CC..  trans-87.5133.4-178.3-66.10000111L4 F50 F57L4-C54 CarbonylContact O-C 3.45Å; L4-C54 WeakPolarHBondContact O-CA 3.36Å; F50-C54 VanDerWaalsContact O-CB 3.27Å; F50-C54 WeakPolarHBondContact O-CB 3.25Å; F50-C54 PolarHBondContact O-N 2.49Å; F50-C54 PolarHBondContact O-SG 3.43Å; F50-C54 VanDerWaalsContact O-SG 3.38Å; C54-F57 HydrophobicContact CB-CD2 4.38Å; C54-F57 HydrophobicContact CB-CE1 4.15Å; C54-F57 HydrophobicContact CB-CE2 3.62Å; C54-F57 HydrophobicContact CB-CZ 3.48Å; C54-F57 VanDerWaalsContact CB-CZ 3.48Å
55S90.3Very high95.7Very high30 Ų3034.6 Ų34.621%0.2120%0.197CC..SBendtrans-81.6-20.1176.1-53.80000112.6L4 P102 Y232L4-S55 PolarHBondContact O-N 2.48Å; S55-P102 VanDerWaalsContact O-CD 3.31Å; S55-P102 WeakPolarHBondContact O-CD 3.15Å; S55-Y232 WeakPolarHBondContact O-CB 3.41Å
56G95.5Very high95.7Very high0 Ų029.9 Ų29.90%018%0.176CC..EExtended strand (participates in β ladder)trans-165.4169.3178.500000111.2I5 G6 P102I5-G56 CarbonylContact C-O 3.56Å; I5-G56 WeakPolarHBondContact CA-O 3.45Å; G6-G56 PolarHBondContact N-O 2.8Å; G56-P102 CarbonylContact C-O 3.57Å; G56-P102 VanDerWaalsContact CA-O 3.24Å; G56-P102 WeakPolarHBondContact CA-O 3.16Å
57F98.6Very high95.7Very high0 Ų027 Ų270%016%0.159CC..EExtended strand (participates in β ladder)trans-134.8131.9-173.3-70.7-100.4000112.5G6 M8 L38 L51 C54 F59 F92 V96 K101 P102 L103 L104G6-F57 CarbonylContact O-C 3.53Å; G6-F57 VanDerWaalsContact O-CA 3.29Å; G6-F57 WeakPolarHBondContact O-CA 3.43Å; M8-F57 HydrophobicContact CE-CD1 3.73Å; L38-F57 HydrophobicContact CD1-CD1 3.88Å; L38-F57 HydrophobicContact CD1-CE1 3.79Å; L51-F57 HydrophobicContact CD2-CE2 4.3Å; L51-F57 HydrophobicContact CD2-CZ 4.02Å; C54-F57 HydrophobicContact CB-CD2 4.38Å; C54-F57 HydrophobicContact CB-CE1 4.15Å; C54-F57 HydrophobicContact CB-CE2 3.62Å; C54-F57 HydrophobicContact CB-CZ 3.48Å; C54-F57 VanDerWaalsContact CB-CZ 3.48Å; F57-F59 HydrophobicContact CB-CD2 4.48Å; F57-F59 HydrophobicContact CB-CE2 3.8Å; F57-F92 HydrophobicContact CD1-CD1 4.33Å; F57-F92 AromaticContact CE1-CD1 3.74Å; F57-F92 HydrophobicContact CE1-CD1 3.74Å; F57-F92 AromaticContact CE1-CE1 3.9Å; F57-F92 HydrophobicContact CE1-CE1 3.9Å; F57-F92 HydrophobicContact CE1-CG 4.48Å; F57-F92 HydrophobicContact CZ-CD1 4.34Å; F57-F92 HydrophobicContact CZ-CE1 4.46Å; F57-V96 HydrophobicContact CB-CG1 4.39Å; F57-V96 HydrophobicContact CB-CG2 4.1Å; F57-V96 HydrophobicContact CD1-CG2 4.18Å; F57-V96 HydrophobicContact CD2-CB 4.32Å; F57-V96 HydrophobicContact CD2-CG1 4.1Å; F57-V96 HydrophobicContact CD2-CG2 3.2Å; F57-V96 HydrophobicContact CE1-CG2 4.44Å; F57-V96 HydrophobicContact CE2-CG2 3.55Å; F57-V96 HydrophobicContact CG-CG2 3.56Å; F57-V96 HydrophobicContact CZ-CG2 4.16Å; F57-K101 HydrophobicContact CE2-CD 4.46Å; F57-P102 PolarHBondContact N-O 3.12Å; F57-L103 WeakPolarHBondContact O-CA 3.37Å; F57-L104 PolarHBondContact O-N 3.24Å
58L98.8Very high95.7Very high0 Ų030.1 Ų30.10%019%0.185CC..EExtended strand (participates in β ladder)trans-108.4116.8174.5-169.1160.5000109.5I5 G6 V7 M8 Y24 I28 T60 L104 I106 F228I5-L58 HydrophobicContact CG2-CB 4.26Å; G6-L58 PolarHBondContact O-N 2.81Å; V7-L58 HydrophobicContact CG1-CD2 4.34Å; M8-L58 PolarHBondContact N-O 3.2Å; Y24-L58 HydrophobicContact CD1-CD1 4.33Å; Y24-L58 HydrophobicContact CD1-CD2 3.7Å; Y24-L58 HydrophobicContact CE1-CD2 3.94Å; I28-L58 HydrophobicContact CD1-CD1 4.09Å; I28-L58 HydrophobicContact CG1-CD1 4.4Å; L58-T60 HydrophobicContact CD2-CG2 3.56Å; L58-L104 CarbonylContact C-O 3.47Å; L58-L104 VanDerWaalsContact CA-O 3.32Å; L58-L104 WeakPolarHBondContact CA-O 3.32Å; L58-L104 HydrophobicContact CD1-CD2 4.2Å; L58-I106 HydrophobicContact CD1-CD1 4.42Å; L58-I106 HydrophobicContact CD2-CD1 4.29Å; L58-I106 HydrophobicContact CG-CD1 4.49Å; L58-F228 HydrophobicContact CB-CE1 4.46Å; L58-F228 HydrophobicContact CB-CZ 4.37Å
59F98.8Very high95.8Very high0 Ų028.3 Ų28.30%018%0.183CC..EExtended strand (participates in β ladder)trans-93.1113.1174.7-66.9-100.8000109.2M8 F57 E89 F92 M93 L103 L104 A105 I106M8-F59 HydrophobicContact CE-CD1 4.18Å; M8-F59 HydrophobicContact CE-CE1 3.68Å; M8-F59 HydrophobicContact CE-CE2 4.18Å; M8-F59 HydrophobicContact CE-CZ 3.68Å; M8-F59 HydrophobicContact CG-CB 4.28Å; M8-F59 HydrophobicContact CG-CD1 3.59Å; M8-F59 HydrophobicContact CG-CE1 4.01Å; M8-F59 HydrophobicContact CG-CG 3.97Å; M8-F59 HydrophobicContact SD-CD1 4.29Å; M8-F59 HydrophobicContact SD-CE1 4.1Å; F57-F59 HydrophobicContact CB-CD2 4.48Å; F57-F59 HydrophobicContact CB-CE2 3.8Å; F59-E89 HydrophobicContact CD1-CB 4.06Å; F59-E89 HydrophobicContact CD1-CG 4.15Å; F59-E89 HydrophobicContact CE1-CB 4.01Å; F59-E89 HydrophobicContact CE1-CG 4.35Å; F59-E89 WeakPolarHBondContact CE1-O 3.35Å; F59-F92 HydrophobicContact CE1-CB 4.15Å; F59-F92 HydrophobicContact CZ-CB 3.88Å; F59-M93 HydrophobicContact CB-CE 4.38Å; F59-M93 HydrophobicContact CD1-CE 3.59Å; F59-M93 HydrophobicContact CD2-CE 4.2Å; F59-M93 HydrophobicContact CE1-CB 3.75Å; F59-M93 HydrophobicContact CE1-CE 3.87Å; F59-M93 HydrophobicContact CE1-CG 4.5Å; F59-M93 HydrophobicContact CE2-CB 4.44Å; F59-M93 HydrophobicContact CE2-CE 4.45Å; F59-M93 HydrophobicContact CG-CE 3.78Å; F59-M93 VanDerWaalsContact CZ-CA 3.48Å; F59-M93 HydrophobicContact CZ-CB 3.64Å; F59-M93 HydrophobicContact CZ-CE 4.29Å; F59-M93 HydrophobicContact CZ-CG 4.29Å; F59-L103 HydrophobicContact CD2-CD1 4.19Å; F59-L103 HydrophobicContact CD2-CD2 3.84Å; F59-L103 HydrophobicContact CD2-CG 3.81Å; F59-L103 HydrophobicContact CE2-CD1 3.64Å; F59-L103 HydrophobicContact CE2-CD2 4.14Å; F59-L103 HydrophobicContact CE2-CG 3.63Å; F59-L103 HydrophobicContact CZ-CD1 4.34Å; F59-L104 PolarHBondContact N-O 3.11Å; F59-A105 HydrophobicContact CB-CB 4.27Å; F59-I106 PolarHBondContact O-N 2.98Å
60T98.6Very high96Very high0 Ų026 Ų260%017%0.165CC..  trans-80.9165.8-173.154.10000112.1V7 M8 L20 Y24 L58 R85 I106V7-T60 HydrophobicContact CG1-CG2 3.79Å; M8-T60 WeakPolarHBondContact O-CG2 3.5Å; M8-T60 PolarHBondContact O-OG1 3.36Å; L20-T60 HydrophobicContact CD1-CG2 3.9Å; Y24-T60 HydrophobicContact CD1-CG2 4.01Å; Y24-T60 HydrophobicContact CD2-CG2 3.84Å; Y24-T60 HydrophobicContact CE1-CG2 3.87Å; Y24-T60 HydrophobicContact CE2-CG2 3.68Å; Y24-T60 HydrophobicContact CG-CG2 3.99Å; L58-T60 HydrophobicContact CD2-CG2 3.56Å; T60-R85 PolarHBondContact O-NH2 3.01Å; T60-R85 PolarHBondContact OG1-NH2 3.25Å; T60-I106 CarbonylContact C-O 3.18Å
61G97.8Very high96Very high1 Ų127.4 Ų27.41%0.0119%0.192CC..  trans-65.2-171.5169.800000113.1L10 Y24 R85 I106L10-G61 WeakPolarHBondContact CD2-O 3.32Å; Y24-G61 PolarHBondContact OH-N 3.38Å; G61-R85 VanDerWaalsContact O-CZ 3.26Å; G61-R85 PolarHBondContact O-NH1 3.24Å; G61-R85 PolarHBondContact O-NH2 3.02Å; G61-I106 WeakPolarHBondContact CA-O 3.2Å; G61-I106 PolarHBondContact N-O 3.38Å
62G96.2Very high96.3Very high49 Ų4929.5 Ų29.551%0.50520%0.201SC..  trans139-146.5170.300000113.3
63Q95.8Very high96.7Very high29 Ų2933.3 Ų33.314%0.13621%0.208CC..SBendtrans-56.4157.7-178.6-73.8170.2-45.300113.3P80 R108Q63-P80 WeakPolarHBondContact CB-O 3.47Å; Q63-P80 HydrophobicContact CG-CG 4.35Å; Q63-R108 WeakPolarHBondContact O-CD 3.27Å; Q63-R108 WeakPolarHBondContact O-CG 3.29Å; Q63-R108 PolarHBondContact O-NE 3.3Å
64D97.8Very high97.1Very high11 Ų1133.9 Ų33.96%0.05921%0.207CC..BIsolated β-bridgetrans-56.1147.1-179.6-73.231.3000112.4C78 G79 P80 Q81 H172 Q173D64-C78 PolarHBondContact OD2-SG 3.48Å; D64-G79 WeakPolarHBondContact OD2-CA 3.41Å; D64-G79 PolarHBondContact OD2-N 3.01Å; D64-P80 PolarHBondContact N-O 3.18Å; D64-Q81 HydrophobicContact CB-CG 4.1Å; D64-H172 IonicContact OD1-CE1 3.79Å; D64-H172 IonicContact OD1-NE2 4Å; D64-H172 PolarHBondContact OD1-NE2 2.93Å; D64-H172 IonicContact OD2-CE1 3.95Å; D64-H172 PolarHBondContact OD2-CE1 3.17Å; D64-H172 IonicContact OD2-NE2 3.32Å; D64-Q173 VanDerWaalsContact CA-OE1 3.32Å; D64-Q173 VanDerWaalsContact CG-CD 3.5Å; D64-Q173 PolarHBondContact OD2-NE2 2.57Å
65V98Very high97.2Very high0 Ų037 Ų370%022%0.221CC..PPolyproline II helixtrans-74.4132.6164.9179.20000108.4P67 L69 R108 Q111 L112 V115 L121 Q173V65-P67 WeakPolarHBondContact O-CD 3.43Å; V65-L69 HydrophobicContact CG1-CD1 3.78Å; V65-R108 HydrophobicContact CG2-CG 4.02Å; V65-Q111 HydrophobicContact CG2-CB 4.07Å; V65-L112 HydrophobicContact CG1-CD1 3.83Å; V65-L112 HydrophobicContact CG2-CB 4.28Å; V65-L112 HydrophobicContact CG2-CD1 4.21Å; V65-V115 HydrophobicContact CG1-CG2 4.37Å; V65-L121 HydrophobicContact CB-CD1 3.95Å; V65-L121 HydrophobicContact CG1-CD1 4.33Å; V65-L121 HydrophobicContact CG2-CD1 4.33Å; V65-Q173 PolarHBondContact O-NE2 3.39Å
66D97.6Very high97.5Very high31 Ų3142.2 Ų42.217%0.16626%0.255CS..PPolyproline II helixtrans-59.8122.2179.5-178.25.2000111.9A68 L69 Q81 L83D66-A68 PolarHBondContact O-N 3.5Å; D66-A68 VanDerWaalsContact O-N 3.09Å; D66-A68 PolarHBondContact OD1-N 3.01Å; D66-A68 VanDerWaalsContact OD1-N 3.09Å; D66-L69 HydrophobicContact CB-CD1 4.15Å; D66-L69 HydrophobicContact CB-CG 4.2Å; D66-L69 VanDerWaalsContact O-CB 3.29Å; D66-L69 WeakPolarHBondContact O-CB 3.4Å; D66-L69 PolarHBondContact O-N 2.6Å; D66-Q81 HydrophobicContact CB-CG 4.44Å; D66-L83 HydrophobicContact CB-CD2 4.08Å; D66-L83 WeakPolarHBondContact OD2-CD2 3.34Å
67P98.1Very high97.5Very high0 Ų045.1 Ų45.10%027%0.272CS..G310 helixtrans-52.3-28.3175.7-27.536000116V65 L69 Y70 G71 E72 K74 Q123V65-P67 WeakPolarHBondContact O-CD 3.43Å; P67-L69 PolarHBondContact O-N 3.46Å; P67-Y70 VanDerWaalsContact CA-CE1 3.44Å; P67-Y70 HydrophobicContact CB-CE1 4.34Å; P67-Y70 HydrophobicContact CB-CE2 4.13Å; P67-Y70 WeakPolarHBondContact CG-OH 3.24Å; P67-Y70 PolarHBondContact O-N 3.05Å; P67-G71 PolarHBondContact O-N 3.3Å; P67-E72 CarbonylContact C-O 3.22Å; P67-E72 VanDerWaalsContact C-O 3.22Å; P67-E72 HydrophobicContact CB-CB 4.28Å; P67-E72 PolarHBondContact O-N 3.46Å; P67-K74 HydrophobicContact CG-CB 4.26Å; P67-K74 HydrophobicContact CG-CG 4.41Å; P67-Q123 HydrophobicContact CB-CG 4.47Å; P67-Q123 HydrophobicContact CG-CG 4.02Å
68A97.8Very high97.2Very high67 Ų6745.6 Ų45.655%0.55428%0.275SS*.G310 helixtrans-60.5-26.9175.900000112.8D66 Y70 G71 E72D66-A68 PolarHBondContact O-N 3.5Å; D66-A68 VanDerWaalsContact O-N 3.09Å; D66-A68 PolarHBondContact OD1-N 3.01Å; D66-A68 VanDerWaalsContact OD1-N 3.09Å; A68-Y70 VanDerWaalsContact C-N 3.31Å; A68-Y70 PolarHBondContact O-N 2.84Å; A68-G71 PolarHBondContact O-N 2.97Å; A68-E72 PolarHBondContact N-O 2.9Å
69L98.1Very high96.9Very high66 Ų6646.3 Ų46.335%0.34628%0.283SS..G310 helixtrans-70.4-25.6-179.4-63.2172.3000113.3V65 D66 P67 D86 L90 L112 V115V65-L69 HydrophobicContact CG1-CD1 3.78Å; D66-L69 HydrophobicContact CB-CD1 4.15Å; D66-L69 HydrophobicContact CB-CG 4.2Å; D66-L69 VanDerWaalsContact O-CB 3.29Å; D66-L69 WeakPolarHBondContact O-CB 3.4Å; D66-L69 PolarHBondContact O-N 2.6Å; P67-L69 PolarHBondContact O-N 3.46Å; L69-D86 HydrophobicContact CD1-CB 3.96Å; L69-L90 HydrophobicContact CD1-CD1 4.02Å; L69-L90 HydrophobicContact CD2-CD1 3.75Å; L69-L90 HydrophobicContact CG-CD1 4.49Å; L69-L112 HydrophobicContact CD1-CD1 4.29Å; L69-V115 HydrophobicContact CB-CG1 3.71Å
70Y98.1Very high96.7Very high21 Ų2150.1 Ų50.18%0.08231%0.308CS..G310 helixtrans-111.721.4173.652.1-90.8000112.9P67 A68 E72 V115 L121 Q123P67-Y70 VanDerWaalsContact CA-CE1 3.44Å; P67-Y70 HydrophobicContact CB-CE1 4.34Å; P67-Y70 HydrophobicContact CB-CE2 4.13Å; P67-Y70 WeakPolarHBondContact CG-OH 3.24Å; P67-Y70 PolarHBondContact O-N 3.05Å; A68-Y70 VanDerWaalsContact C-N 3.31Å; A68-Y70 PolarHBondContact O-N 2.84Å; Y70-E72 HydrophobicContact CD2-CB 4.04Å; Y70-E72 HydrophobicContact CD2-CG 3.86Å; Y70-E72 HydrophobicContact CE2-CB 3.88Å; Y70-E72 HydrophobicContact CE2-CG 3.95Å; Y70-E72 PolarHBondContact O-N 3.45Å; Y70-V115 HydrophobicContact CD1-CG1 4.31Å; Y70-V115 HydrophobicContact CD1-CG2 3.66Å; Y70-V115 HydrophobicContact CE1-CG2 4.48Å; Y70-V115 HydrophobicContact CG-CG2 4.24Å; Y70-L121 HydrophobicContact CD1-CD1 4.21Å; Y70-L121 HydrophobicContact CD1-CG 4.28Å; Y70-L121 HydrophobicContact CE1-CB 4.03Å; Y70-L121 HydrophobicContact CE1-CD1 3.76Å; Y70-L121 HydrophobicContact CE1-CG 4.06Å; Y70-L121 HydrophobicContact CE2-CB 4.34Å; Y70-Q123 HydrophobicContact CE2-CG 4.46Å; Y70-Q123 WeakPolarHBondContact OH-CG 3.1Å
71G97.3Very high96.5Very high73 Ų7352 Ų5275%0.75332%0.316SS*.THydrogen-bonded Turntrans76.320.2169.100000115.3P67 A68P67-G71 PolarHBondContact O-N 3.3Å; A68-G71 PolarHBondContact O-N 2.97Å
72E97.7Very high96.4Very high49 Ų4952.4 Ų52.423%0.22932%0.319CS..  trans-109.4155.8176.3-67.7-166.7178.600112.1P67 A68 Y70 Q123 K176P67-E72 CarbonylContact C-O 3.22Å; P67-E72 VanDerWaalsContact C-O 3.22Å; P67-E72 HydrophobicContact CB-CB 4.28Å; P67-E72 PolarHBondContact O-N 3.46Å; A68-E72 PolarHBondContact N-O 2.9Å; Y70-E72 HydrophobicContact CD2-CB 4.04Å; Y70-E72 HydrophobicContact CD2-CG 3.86Å; Y70-E72 HydrophobicContact CE2-CB 3.88Å; Y70-E72 HydrophobicContact CE2-CG 3.95Å; Y70-E72 PolarHBondContact O-N 3.45Å; E72-Q123 PolarHBondContact OE2-NE2 3.1Å; E72-Q123 VanDerWaalsContact OE2-NE2 3.07Å; E72-K176 IonicContact OE1-NZ 2.82Å; E72-K176 PolarHBondContact OE1-NZ 2.83Å
73E97Very high96.4Very high178 Ų17855.2 Ų55.283%0.83232%0.322SS*.PPolyproline II helixtrans-79.4142.5168.5-68.3-172.5167.500110.3Q75 Q123E73-Q75 PolarHBondContact O-N 3.41Å; E73-Q123 PolarHBondContact O-NE2 2.96Å
74K96.8Very high96.4Very high104 Ų10456.9 Ų56.945%0.45233%0.334SS..PPolyproline II helixtrans-63.1120.1176.2-176.2-178.5-174.9149.70111.1P67 C78 G79 Q81P67-K74 HydrophobicContact CG-CB 4.26Å; P67-K74 HydrophobicContact CG-CG 4.41Å; K74-C78 HydrophobicContact CG-CB 3.95Å; K74-G79 PolarHBondContact NZ-O 2.99Å; K74-Q81 VanDerWaalsContact CD-NE2 3.29Å; K74-Q81 VanDerWaalsContact CE-NE2 3.27Å
75Q96.5Very high96.4Very high67 Ų6756.4 Ų56.431%0.31333%0.332SS..PPolyproline II helixtrans-83.1157173-63.1-175.435.200111.6E73 V77 C78 E128E73-Q75 PolarHBondContact O-N 3.41Å; Q75-V77 HydrophobicContact CB-CG2 3.95Å; Q75-V77 PolarHBondContact O-N 2.84Å; Q75-V77 VanDerWaalsContact O-N 3.08Å; Q75-C78 WeakPolarHBondContact O-CB 3.27Å; Q75-C78 PolarHBondContact O-N 3.33Å; Q75-C78 VanDerWaalsContact O-N 3.09Å; Q75-E128 PolarHBondContact NE2-OE1 2.81Å; Q75-E128 PolarHBondContact OE1-OE1 2.68Å
76P96.3Very high96.4Very high140 Ų14056.7 Ų56.791%0.90933%0.333SS*.THydrogen-bonded Turntrans-60.3-19.6178-25.235.1000115.3
77V94.8Very high96.4Very high61 Ų6159.8 Ų59.837%0.3735%0.347SS..THydrogen-bonded Turntrans-86.7-14.2179.9-66.20000113.2Q75 D124Q75-V77 HydrophobicContact CB-CG2 3.95Å; Q75-V77 PolarHBondContact O-N 2.84Å; Q75-V77 VanDerWaalsContact O-N 3.08Å; V77-D124 HydrophobicContact CB-CB 3.77Å; V77-D124 HydrophobicContact CG2-CB 3.51Å
78C94.2Very high96.4Very high10 Ų1059.8 Ų59.87%0.06835%0.347CS..  trans-70.8132.6175.8177.90000110.3D64 K74 Q75 Q81 Q123D64-C78 PolarHBondContact OD2-SG 3.48Å; K74-C78 HydrophobicContact CG-CB 3.95Å; Q75-C78 WeakPolarHBondContact O-CB 3.27Å; Q75-C78 PolarHBondContact O-N 3.33Å; Q75-C78 VanDerWaalsContact O-N 3.09Å; C78-Q81 PolarHBondContact SG-NE2 2.75Å; C78-Q123 HydrophobicContact CB-CB 4.39Å
79G92.6Very high96.5Very high16 Ų1656.6 Ų56.617%0.16532%0.32CS..  trans-69-172.6-177.400000114.7D64 K74D64-G79 WeakPolarHBondContact OD2-CA 3.41Å; D64-G79 PolarHBondContact OD2-N 3.01Å; K74-G79 PolarHBondContact NZ-O 2.99Å
80P93.6Very high96.5Very high79 Ų7955.2 Ų55.251%0.51331%0.313SS..  trans-64.7142.6171.828.7-33.2000110.2Q63 D64Q63-P80 WeakPolarHBondContact CB-O 3.47Å; Q63-P80 HydrophobicContact CG-CG 4.35Å; D64-P80 PolarHBondContact N-O 3.18Å
81Q94.3Very high96.5Very high39 Ų3955.2 Ų55.218%0.18231%0.313CS..BIsolated β-bridgetrans-118.1158.2178.9-64.3145.62.500108.6D64 D66 K74 C78D64-Q81 HydrophobicContact CB-CG 4.1Å; D66-Q81 HydrophobicContact CB-CG 4.44Å; K74-Q81 VanDerWaalsContact CD-NE2 3.29Å; K74-Q81 VanDerWaalsContact CE-NE2 3.27Å; C78-Q81 PolarHBondContact SG-NE2 2.75Å
82S95.7Very high96.6Very high10 Ų1051.7 Ų51.77%0.0728%0.278CS..  trans-125.5100168.3172.60000110T84 R85 D86S82-T84 VanDerWaalsContact C-N 3.27Å; S82-T84 PolarHBondContact O-N 3.46Å; S82-R85 CarbonylContact O-C 3.52Å; S82-R85 WeakPolarHBondContact O-CA 3.31Å; S82-R85 WeakPolarHBondContact O-CB 3.42Å; S82-R85 PolarHBondContact O-N 2.92Å; S82-R85 VanDerWaalsContact OG-CB 3.27Å; S82-R85 WeakPolarHBondContact OG-CB 3.33Å; S82-R85 PolarHBondContact OG-N 3.32Å; S82-D86 PolarHBondContact O-N 3.38Å
83L95.7Very high96.6Very high108 Ų10849.4 Ų49.457%0.56527%0.267SS*.Hα-helixtrans-61.5-36.5-178.2-56.8-178.3000112.1D66 R85 D86 E87D66-L83 HydrophobicContact CB-CD2 4.08Å; D66-L83 WeakPolarHBondContact OD2-CD2 3.34Å; L83-R85 VanDerWaalsContact C-N 3.31Å; L83-R85 PolarHBondContact O-N 2.71Å; L83-D86 PolarHBondContact O-N 3.5Å; L83-E87 PolarHBondContact O-N 2.83Å
84T96.7Very high96.7Very high64 Ų6447 Ų4739%0.39325%0.253SS..Hα-helixtrans-61.4-42.3173.9-57.80000110.9L40 T42 S82 M88L40-T84 HydrophobicContact CD1-CG2 3.89Å; L40-T84 HydrophobicContact CG-CG2 3.93Å; T42-T84 HydrophobicContact CG2-CG2 4.07Å; S82-T84 VanDerWaalsContact C-N 3.27Å; S82-T84 PolarHBondContact O-N 3.46Å; T84-M88 VanDerWaalsContact O-CB 3.29Å; T84-M88 WeakPolarHBondContact O-CB 3.29Å; T84-M88 PolarHBondContact O-N 3.28Å; T84-M88 VanDerWaalsContact O-N 3.08Å
85R97.4Very high96.7Very high2 Ų245 Ų451%0.00825%0.246CC..Hα-helixtrans-70.9-41.1178.8-170.2177.5175.9-150.7-11.5111.1P9 L40 T60 G61 S82 L83 M88 E89P9-R85 PolarHBondContact O-NE 3.07Å; L40-R85 HydrophobicContact CD1-CB 3.96Å; L40-R85 HydrophobicContact CD1-CG 4.37Å; T60-R85 PolarHBondContact O-NH2 3.01Å; T60-R85 PolarHBondContact OG1-NH2 3.25Å; G61-R85 VanDerWaalsContact O-CZ 3.26Å; G61-R85 PolarHBondContact O-NH1 3.24Å; G61-R85 PolarHBondContact O-NH2 3.02Å; S82-R85 CarbonylContact O-C 3.52Å; S82-R85 WeakPolarHBondContact O-CA 3.31Å; S82-R85 WeakPolarHBondContact O-CB 3.42Å; S82-R85 PolarHBondContact O-N 2.92Å; S82-R85 VanDerWaalsContact OG-CB 3.27Å; S82-R85 WeakPolarHBondContact OG-CB 3.33Å; S82-R85 PolarHBondContact OG-N 3.32Å; L83-R85 VanDerWaalsContact C-N 3.31Å; L83-R85 PolarHBondContact O-N 2.71Å; R85-M88 HydrophobicContact CG-CE 4.49Å; R85-M88 PolarHBondContact O-N 3.35Å; R85-E89 HydrophobicContact CG-CG 4.1Å; R85-E89 WeakPolarHBondContact CG-OE1 3.15Å; R85-E89 IonicContact CZ-OE1 3.7Å; R85-E89 IonicContact NE-OE1 3.79Å; R85-E89 PolarHBondContact NE-OE1 2.92Å; R85-E89 IonicContact NH2-OE1 3.72Å; R85-E89 PolarHBondContact NH2-OE1 2.88Å; R85-E89 IonicContact NH2-OE2 2.95Å; R85-E89 VanDerWaalsContact O-CB 3.29Å; R85-E89 WeakPolarHBondContact O-CB 3.33Å; R85-E89 WeakPolarHBondContact O-CG 3.48Å; R85-E89 PolarHBondContact O-N 3.07Å
86D97.9Very high96.7Very high5 Ų541.9 Ų41.93%0.02723%0.231CC..Hα-helixtrans-54.9-53.1172.7-77.6-38.7000111.8L69 S82 L83 M88 E89 L90 R108L69-D86 HydrophobicContact CD1-CB 3.96Å; S82-D86 PolarHBondContact O-N 3.38Å; L83-D86 PolarHBondContact O-N 3.5Å; D86-M88 PolarHBondContact O-N 3.49Å; D86-E89 PolarHBondContact O-N 2.94Å; D86-L90 VanDerWaalsContact O-CB 3.27Å; D86-L90 WeakPolarHBondContact O-CB 3.37Å; D86-L90 VanDerWaalsContact O-CG 3.24Å; D86-L90 WeakPolarHBondContact O-CG 3.45Å; D86-L90 PolarHBondContact O-N 3.12Å; D86-R108 VanDerWaalsContact CG-NH2 3.33Å; D86-R108 IonicContact OD1-CZ 2.67Å; D86-R108 IonicContact OD1-NH1 3.58Å; D86-R108 IonicContact OD1-NH2 3.72Å; D86-R108 PolarHBondContact OD1-NH2 3.02Å; D86-R108 IonicContact OD2-NH2 2.8Å
87E98.1Very high96.8Very high96 Ų9637.2 Ų37.245%0.44920%0.198SC..Hα-helixtrans-63.3-42.8-179-177.6176.2171.800112T42 L83 F91T42-E87 HydrophobicContact CG2-CB 3.91Å; T42-E87 HydrophobicContact CG2-CG 3.96Å; T42-E87 VanDerWaalsContact CG2-OE2 3.31Å; T42-E87 WeakPolarHBondContact CG2-OE2 3.35Å; L83-E87 PolarHBondContact O-N 2.83Å; E87-F91 WeakPolarHBondContact O-CB 3.29Å; E87-F91 PolarHBondContact O-N 3.1Å; E87-F91 VanDerWaalsContact O-N 3.09Å
88M98.4Very high96.7Very high0 Ų038.3 Ų38.30%021%0.213CC..Hα-helixtrans-64.2-48.8178-179.1-16475.400112.1M8 P9 L40 T41 L47 T84 R85 D86 F91 F92M8-M88 HydrophobicContact SD-CE 3.86Å; P9-M88 HydrophobicContact CG-CE 4.26Å; L40-M88 HydrophobicContact CD1-CE 4.2Å; L40-M88 HydrophobicContact CD1-SD 4.04Å; T41-M88 WeakPolarHBondContact O-CB 3.18Å; T41-M88 WeakPolarHBondContact O-CG 3.38Å; L47-M88 HydrophobicContact CD1-CB 4.49Å; L47-M88 HydrophobicContact CD1-CG 3.85Å; L47-M88 HydrophobicContact CD2-CG 4.21Å; T84-M88 VanDerWaalsContact O-CB 3.29Å; T84-M88 WeakPolarHBondContact O-CB 3.29Å; T84-M88 PolarHBondContact O-N 3.28Å; T84-M88 VanDerWaalsContact O-N 3.08Å; R85-M88 HydrophobicContact CG-CE 4.49Å; R85-M88 PolarHBondContact O-N 3.35Å; D86-M88 PolarHBondContact O-N 3.49Å; M88-F91 WeakPolarHBondContact O-CB 3.18Å; M88-F91 PolarHBondContact O-N 2.81Å; M88-F92 HydrophobicContact CG-CD2 3.99Å; M88-F92 HydrophobicContact CG-CE2 3.97Å; M88-F92 WeakPolarHBondContact O-CD2 3.41Å; M88-F92 PolarHBondContact O-N 2.93Å; M88-F92 HydrophobicContact SD-CE2 4.49Å
89E98.5Very high96.6Very high0 Ų042 Ų420%023%0.23CC..Hα-helixtrans-70.5-38.7-177.2-71-170.2-17700111.5M8 F59 R85 D86 F91 F92 M93 R108 L112M8-E89 HydrophobicContact CB-CG 4.36Å; M8-E89 WeakPolarHBondContact CB-OE1 3.5Å; M8-E89 HydrophobicContact CG-CG 3.93Å; M8-E89 HydrophobicContact SD-CG 3.93Å; F59-E89 HydrophobicContact CD1-CB 4.06Å; F59-E89 HydrophobicContact CD1-CG 4.15Å; F59-E89 HydrophobicContact CE1-CB 4.01Å; F59-E89 HydrophobicContact CE1-CG 4.35Å; F59-E89 WeakPolarHBondContact CE1-O 3.35Å; R85-E89 HydrophobicContact CG-CG 4.1Å; R85-E89 WeakPolarHBondContact CG-OE1 3.15Å; R85-E89 IonicContact CZ-OE1 3.7Å; R85-E89 IonicContact NE-OE1 3.79Å; R85-E89 PolarHBondContact NE-OE1 2.92Å; R85-E89 IonicContact NH2-OE1 3.72Å; R85-E89 PolarHBondContact NH2-OE1 2.88Å; R85-E89 IonicContact NH2-OE2 2.95Å; R85-E89 VanDerWaalsContact O-CB 3.29Å; R85-E89 WeakPolarHBondContact O-CB 3.33Å; R85-E89 WeakPolarHBondContact O-CG 3.48Å; R85-E89 PolarHBondContact O-N 3.07Å; D86-E89 PolarHBondContact O-N 2.94Å; E89-F91 VanDerWaalsContact C-N 3.28Å; E89-F91 PolarHBondContact O-N 3.25Å; E89-F92 PolarHBondContact O-N 2.9Å; E89-M93 WeakPolarHBondContact O-CB 3.31Å; E89-M93 PolarHBondContact O-N 3.29Å; E89-R108 VanDerWaalsContact CD-NH1 3.34Å; E89-R108 IonicContact OE1-NH1 3.36Å; E89-R108 IonicContact OE2-CZ 3.52Å; E89-R108 IonicContact OE2-NH1 3.01Å; E89-R108 PolarHBondContact OE2-NH1 3.31Å; E89-L112 HydrophobicContact CB-CD2 3.36Å
90L98.5Very high96.5Very high37 Ų3744 Ų4419%0.19424%0.237CC..Hα-helixtrans-61.2-38.9172.7-75.4169.9000111.8L69 D86 K94 L112 L116L69-L90 HydrophobicContact CD1-CD1 4.02Å; L69-L90 HydrophobicContact CD2-CD1 3.75Å; L69-L90 HydrophobicContact CG-CD1 4.49Å; D86-L90 VanDerWaalsContact O-CB 3.27Å; D86-L90 WeakPolarHBondContact O-CB 3.37Å; D86-L90 VanDerWaalsContact O-CG 3.24Å; D86-L90 WeakPolarHBondContact O-CG 3.45Å; D86-L90 PolarHBondContact O-N 3.12Å; L90-K94 WeakPolarHBondContact O-CB 3.34Å; L90-K94 PolarHBondContact O-N 2.93Å; L90-K94 VanDerWaalsContact O-N 3.07Å; L90-L112 HydrophobicContact CD2-CD1 3.76Å; L90-L112 HydrophobicContact CD2-CD2 4.35Å; L90-L112 HydrophobicContact CD2-CG 3.92Å; L90-L112 HydrophobicContact CG-CD1 3.94Å; L90-L112 HydrophobicContact CG-CD2 4.29Å; L90-L112 HydrophobicContact CG-CG 4.29Å; L90-L116 HydrophobicContact CD2-CB 4.16Å; L90-L116 HydrophobicContact CD2-CD1 4.01Å
91F98.6Very high96.5Very high21 Ų2142.1 Ų42.19%0.09222%0.22CC..Hα-helixtrans-60.5-56173.5170.3-97.9000111K44 L47 R48 L51 E87 M88 E89 M93 K94 E95K44-F91 HydrophobicContact CB-CE2 4.3Å; K44-F91 HydrophobicContact CB-CZ 4.42Å; K44-F91 HydrophobicContact CD-CD2 4.03Å; K44-F91 HydrophobicContact CD-CE2 4.1Å; K44-F91 HydrophobicContact CG-CD2 4.03Å; K44-F91 HydrophobicContact CG-CE2 4.05Å; K44-F91 HydrophobicContact CG-CG 4.47Å; L47-F91 HydrophobicContact CB-CD1 3.93Å; L47-F91 HydrophobicContact CB-CE1 3.54Å; L47-F91 HydrophobicContact CD1-CD1 3.52Å; L47-F91 HydrophobicContact CD1-CE1 4.03Å; L47-F91 HydrophobicContact CD1-CG 4.29Å; L47-F91 HydrophobicContact CG-CD1 4.4Å; L47-F91 HydrophobicContact CG-CE1 4.46Å; R48-F91 HydrophobicContact CG-CZ 3.89Å; L51-F91 HydrophobicContact CD1-CE1 4.16Å; L51-F91 HydrophobicContact CD1-CZ 4.08Å; E87-F91 WeakPolarHBondContact O-CB 3.29Å; E87-F91 PolarHBondContact O-N 3.1Å; E87-F91 VanDerWaalsContact O-N 3.09Å; M88-F91 WeakPolarHBondContact O-CB 3.18Å; M88-F91 PolarHBondContact O-N 2.81Å; E89-F91 VanDerWaalsContact C-N 3.28Å; E89-F91 PolarHBondContact O-N 3.25Å; F91-M93 PolarHBondContact O-N 2.88Å; F91-K94 PolarHBondContact O-N 3.3Å; F91-E95 HydrophobicContact CD2-CG 4.12Å; F91-E95 HydrophobicContact CE1-CG 4.49Å; F91-E95 HydrophobicContact CE2-CG 3.75Å; F91-E95 HydrophobicContact CZ-CG 3.96Å; F91-E95 VanDerWaalsContact O-CG 3.29Å; F91-E95 WeakPolarHBondContact O-CG 3.15Å; F91-E95 PolarHBondContact O-N 3.23Å; F91-E95 VanDerWaalsContact O-N 3.11Å
92F98.6Very high96.5Very high0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-60.1-47.2179.9-82.7-61.8000112.1M8 L38 L47 F50 L51 F57 F59 M88 E89 K94 E95 V96M8-F92 HydrophobicContact CE-CB 3.74Å; M8-F92 HydrophobicContact CE-CD2 3.74Å; M8-F92 HydrophobicContact CE-CE2 4.48Å; M8-F92 HydrophobicContact CE-CG 3.81Å; M8-F92 HydrophobicContact SD-CD2 3.89Å; L38-F92 HydrophobicContact CB-CE2 4.49Å; L38-F92 HydrophobicContact CD1-CD2 4.2Å; L38-F92 HydrophobicContact CD1-CE1 4.31Å; L38-F92 HydrophobicContact CD1-CE2 3.8Å; L38-F92 HydrophobicContact CD1-CZ 3.87Å; L47-F92 HydrophobicContact CB-CE1 4.24Å; L47-F92 HydrophobicContact CB-CE2 4.21Å; L47-F92 HydrophobicContact CB-CZ 3.73Å; L47-F92 HydrophobicContact CD1-CE2 4.08Å; L47-F92 HydrophobicContact CD1-CZ 4.44Å; L47-F92 HydrophobicContact CD2-CE2 3.68Å; L47-F92 HydrophobicContact CD2-CZ 3.79Å; L47-F92 HydrophobicContact CG-CE2 4.18Å; L47-F92 HydrophobicContact CG-CZ 4.17Å; F50-F92 HydrophobicContact CB-CE1 4.02Å; F50-F92 HydrophobicContact CB-CZ 4.11Å; L51-F92 HydrophobicContact CD2-CD1 3.87Å; L51-F92 HydrophobicContact CD2-CE1 4.35Å; L51-F92 HydrophobicContact CG-CD1 4.21Å; L51-F92 HydrophobicContact CG-CE1 4.24Å; F57-F92 HydrophobicContact CD1-CD1 4.33Å; F57-F92 AromaticContact CE1-CD1 3.74Å; F57-F92 HydrophobicContact CE1-CD1 3.74Å; F57-F92 AromaticContact CE1-CE1 3.9Å; F57-F92 HydrophobicContact CE1-CE1 3.9Å; F57-F92 HydrophobicContact CE1-CG 4.48Å; F57-F92 HydrophobicContact CZ-CD1 4.34Å; F57-F92 HydrophobicContact CZ-CE1 4.46Å; F59-F92 HydrophobicContact CE1-CB 4.15Å; F59-F92 HydrophobicContact CZ-CB 3.88Å; M88-F92 HydrophobicContact CG-CD2 3.99Å; M88-F92 HydrophobicContact CG-CE2 3.97Å; M88-F92 WeakPolarHBondContact O-CD2 3.41Å; M88-F92 PolarHBondContact O-N 2.93Å; M88-F92 HydrophobicContact SD-CE2 4.49Å; E89-F92 PolarHBondContact O-N 2.9Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.29Å; F92-E95 PolarHBondContact O-N 3.43Å; F92-V96 VanDerWaalsContact O-CB 3.24Å; F92-V96 WeakPolarHBondContact O-CB 3.25Å; F92-V96 WeakPolarHBondContact O-CG2 2.99Å; F92-V96 PolarHBondContact O-N 3.39Å
93M98.6Very high96.7Very high0 Ų039.8 Ų39.80%021%0.208CC..Hα-helixtrans-60.8-44.3-175.5-171.2175.3-76.900111.2F59 E89 F91 M97 L103 L112 L113 L116F59-M93 HydrophobicContact CB-CE 4.38Å; F59-M93 HydrophobicContact CD1-CE 3.59Å; F59-M93 HydrophobicContact CD2-CE 4.2Å; F59-M93 HydrophobicContact CE1-CB 3.75Å; F59-M93 HydrophobicContact CE1-CE 3.87Å; F59-M93 HydrophobicContact CE1-CG 4.5Å; F59-M93 HydrophobicContact CE2-CB 4.44Å; F59-M93 HydrophobicContact CE2-CE 4.45Å; F59-M93 HydrophobicContact CG-CE 3.78Å; F59-M93 VanDerWaalsContact CZ-CA 3.48Å; F59-M93 HydrophobicContact CZ-CB 3.64Å; F59-M93 HydrophobicContact CZ-CE 4.29Å; F59-M93 HydrophobicContact CZ-CG 4.29Å; E89-M93 WeakPolarHBondContact O-CB 3.31Å; E89-M93 PolarHBondContact O-N 3.29Å; F91-M93 PolarHBondContact O-N 2.88Å; M93-M97 HydrophobicContact CG-SD 3.95Å; M93-M97 WeakPolarHBondContact O-CB 3.19Å; M93-M97 WeakPolarHBondContact O-CG 3.47Å; M93-M97 PolarHBondContact O-N 2.88Å; M93-L103 HydrophobicContact CG-CD1 3.77Å; M93-L112 HydrophobicContact CE-CB 4.11Å; M93-L112 HydrophobicContact CE-CD2 4.15Å; M93-L112 HydrophobicContact CE-CG 4.32Å; M93-L112 HydrophobicContact SD-CG 4.39Å; M93-L113 HydrophobicContact CE-CB 4.1Å; M93-L113 HydrophobicContact CG-CD1 4.47Å; M93-L113 WeakPolarHBondContact SD-CA 3.45Å; M93-L113 HydrophobicContact SD-CB 3.82Å; M93-L113 HydrophobicContact SD-CD1 4.08Å; M93-L113 PolarHBondContact SD-N 3.32Å; M93-L116 HydrophobicContact CB-CD2 3.95Å; M93-L116 HydrophobicContact CG-CD2 3.52Å; M93-L116 HydrophobicContact SD-CB 4.29Å; M93-L116 HydrophobicContact SD-CD2 3.8Å
94K98.2Very high96.8Very high127 Ų12734.7 Ų34.755%0.55218%0.182SC*.Hα-helixtrans-62.3-47.1176.4-176.4-179.8177.9-179.20112.4L90 F91 F92 A98 L116L90-K94 WeakPolarHBondContact O-CB 3.34Å; L90-K94 PolarHBondContact O-N 2.93Å; L90-K94 VanDerWaalsContact O-N 3.07Å; F91-K94 PolarHBondContact O-N 3.3Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.29Å; K94-A98 VanDerWaalsContact O-CB 3.32Å; K94-A98 WeakPolarHBondContact O-CB 3.5Å; K94-A98 PolarHBondContact O-N 3.24Å; K94-L116 HydrophobicContact CB-CD1 4.41Å; K94-L116 HydrophobicContact CB-CD2 4.37Å
95E97.7Very high96.9Very high64 Ų6431.7 Ų31.730%0.29916%0.163SC..Hα-helixtrans-71-38.9-177.9-60.3-66.8130.100111.5L51 F91 F92 M97 A98 E99L51-E95 HydrophobicContact CD1-CB 3.61Å; L51-E95 HydrophobicContact CD1-CG 3.96Å; L51-E95 HydrophobicContact CD2-CB 3.85Å; L51-E95 HydrophobicContact CG-CB 4.41Å; F91-E95 HydrophobicContact CD2-CG 4.12Å; F91-E95 HydrophobicContact CE1-CG 4.49Å; F91-E95 HydrophobicContact CE2-CG 3.75Å; F91-E95 HydrophobicContact CZ-CG 3.96Å; F91-E95 VanDerWaalsContact O-CG 3.29Å; F91-E95 WeakPolarHBondContact O-CG 3.15Å; F91-E95 PolarHBondContact O-N 3.23Å; F91-E95 VanDerWaalsContact O-N 3.11Å; F92-E95 PolarHBondContact O-N 3.43Å; E95-M97 PolarHBondContact O-N 3.47Å; E95-A98 PolarHBondContact O-N 3.36Å; E95-E99 WeakPolarHBondContact O-CB 3.35Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 2.94Å
96V97.3Very high97Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-61.4-44.7175.4168.40000111.2L51 F57 F92 A98 E99 D100 K101 L103L51-V96 HydrophobicContact CD2-CG2 3.83Å; F57-V96 HydrophobicContact CB-CG1 4.39Å; F57-V96 HydrophobicContact CB-CG2 4.1Å; F57-V96 HydrophobicContact CD1-CG2 4.18Å; F57-V96 HydrophobicContact CD2-CB 4.32Å; F57-V96 HydrophobicContact CD2-CG1 4.1Å; F57-V96 HydrophobicContact CD2-CG2 3.2Å; F57-V96 HydrophobicContact CE1-CG2 4.44Å; F57-V96 HydrophobicContact CE2-CG2 3.55Å; F57-V96 HydrophobicContact CG-CG2 3.56Å; F57-V96 HydrophobicContact CZ-CG2 4.16Å; F92-V96 VanDerWaalsContact O-CB 3.24Å; F92-V96 WeakPolarHBondContact O-CB 3.25Å; F92-V96 WeakPolarHBondContact O-CG2 2.99Å; F92-V96 PolarHBondContact O-N 3.39Å; V96-A98 VanDerWaalsContact C-N 3.35Å; V96-E99 PolarHBondContact O-N 3.24Å; V96-D100 PolarHBondContact O-N 2.89Å; V96-D100 VanDerWaalsContact O-N 3.16Å; V96-K101 HydrophobicContact CG1-CB 3.83Å; V96-K101 WeakPolarHBondContact CG1-O 3.05Å; V96-K101 PolarHBondContact O-N 2.97Å; V96-L103 HydrophobicContact CB-CD1 4.38Å; V96-L103 HydrophobicContact CG1-CB 4.01Å; V96-L103 HydrophobicContact CG1-CD1 3.87Å; V96-L103 HydrophobicContact CG1-CG 4.27Å
97M96.8Very high97Very high43 Ų4331.7 Ų31.721%0.21216%0.164CC..Hα-helixtrans-66.1-37.3174.7-69.7168.875.100111.9M93 E95 E99 D100 L103 L113 L116 L198M93-M97 HydrophobicContact CG-SD 3.95Å; M93-M97 WeakPolarHBondContact O-CB 3.19Å; M93-M97 WeakPolarHBondContact O-CG 3.47Å; M93-M97 PolarHBondContact O-N 2.88Å; E95-M97 PolarHBondContact O-N 3.47Å; M97-E99 VanDerWaalsContact C-N 3.35Å; M97-D100 PolarHBondContact O-N 2.93Å; M97-L103 HydrophobicContact CG-CD1 4.04Å; M97-L113 HydrophobicContact CE-CD1 3.95Å; M97-L113 HydrophobicContact SD-CD1 3.74Å; M97-L116 HydrophobicContact SD-CD2 3.64Å; M97-L198 HydrophobicContact CE-CD2 3.76Å
98A94.1Very high97Very high83 Ų8327.1 Ų27.169%0.68614%0.142SC*.Hα-helixtrans-69.1-32177.700000113.1K94 E95 V96 D100K94-A98 VanDerWaalsContact O-CB 3.32Å; K94-A98 WeakPolarHBondContact O-CB 3.5Å; K94-A98 PolarHBondContact O-N 3.24Å; E95-A98 PolarHBondContact O-N 3.36Å; V96-A98 VanDerWaalsContact C-N 3.35Å; A98-D100 VanDerWaalsContact C-N 3.3Å
99E90.9Very high97Very high89 Ų8927.1 Ų27.142%0.41614%0.142SC..THydrogen-bonded Turntrans-874.7174.3-67.7-177.2-160.600113.3E95 V96 M97 K101E95-E99 WeakPolarHBondContact O-CB 3.35Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 2.94Å; V96-E99 PolarHBondContact O-N 3.24Å; M97-E99 VanDerWaalsContact C-N 3.35Å; E99-K101 HydrophobicContact CB-CD 4.22Å; E99-K101 HydrophobicContact CB-CG 4.22Å; E99-K101 PolarHBondContact O-N 2.66Å; E99-K101 VanDerWaalsContact OE2-CE 3.26Å; E99-K101 WeakPolarHBondContact OE2-CE 3.34Å; E99-K101 IonicContact OE2-NZ 3.62Å; E99-K101 PolarHBondContact OE2-NZ 3.4Å
100D91.8Very high97.1Very high58 Ų5827.1 Ų27.131%0.3114%0.142SC..THydrogen-bonded Turntrans49.441-176.1-166.929.1000113.3V96 M97 A98 A201 K202V96-D100 PolarHBondContact O-N 2.89Å; V96-D100 VanDerWaalsContact O-N 3.16Å; M97-D100 PolarHBondContact O-N 2.93Å; A98-D100 VanDerWaalsContact C-N 3.3Å; D100-A201 VanDerWaalsContact OD1-CA 3.28Å; D100-A201 WeakPolarHBondContact OD1-CA 3.37Å; D100-K202 WeakPolarHBondContact O-CD 3.27Å; D100-K202 PolarHBondContact OD1-N 2.79Å; D100-K202 WeakPolarHBondContact OD2-CG 3.26Å
101K92.6Very high97.1Very high38 Ų3825.7 Ų25.717%0.16514%0.135CC..  trans-88.2145.6177.9-80.1176.5175.3165.40111.1L51 F57 V96 E99 L103L51-K101 PolarHBondContact O-NZ 2.67Å; F57-K101 HydrophobicContact CE2-CD 4.46Å; V96-K101 HydrophobicContact CG1-CB 3.83Å; V96-K101 WeakPolarHBondContact CG1-O 3.05Å; V96-K101 PolarHBondContact O-N 2.97Å; E99-K101 HydrophobicContact CB-CD 4.22Å; E99-K101 HydrophobicContact CB-CG 4.22Å; E99-K101 PolarHBondContact O-N 2.66Å; E99-K101 VanDerWaalsContact OE2-CE 3.26Å; E99-K101 WeakPolarHBondContact OE2-CE 3.34Å; E99-K101 IonicContact OE2-NZ 3.62Å; E99-K101 PolarHBondContact OE2-NZ 3.4Å; K101-L103 PolarHBondContact O-N 3.43Å
102P95.3Very high97.1Very high1 Ų124.7 Ų24.71%0.00613%0.13CC..  trans-50.4129.2173.9-27.932.7000112.9S55 G56 F57 F203 F228 A231S55-P102 VanDerWaalsContact O-CD 3.31Å; S55-P102 WeakPolarHBondContact O-CD 3.15Å; G56-P102 CarbonylContact C-O 3.57Å; G56-P102 VanDerWaalsContact CA-O 3.24Å; G56-P102 WeakPolarHBondContact CA-O 3.16Å; F57-P102 PolarHBondContact N-O 3.12Å; P102-F203 CarbonylContact C-O 3.59Å; P102-F203 VanDerWaalsContact CA-O 3.27Å; P102-F203 WeakPolarHBondContact CA-O 3.37Å; P102-F203 HydrophobicContact CB-CB 4.25Å; P102-F228 HydrophobicContact CB-CD2 3.79Å; P102-F228 HydrophobicContact CB-CE2 3.82Å; P102-A231 HydrophobicContact CB-CB 4.09Å; P102-A231 HydrophobicContact CG-CB 3.59Å
103L98.5Very high97.1Very high0 Ų024.7 Ų24.70%013%0.13CC..EExtended strand (participates in β ladder)trans-131.8121.6-179.2-166.2158000110.1F57 F59 M93 V96 M97 K101 A105 F203 V204 L205F57-L103 WeakPolarHBondContact O-CA 3.37Å; F59-L103 HydrophobicContact CD2-CD1 4.19Å; F59-L103 HydrophobicContact CD2-CD2 3.84Å; F59-L103 HydrophobicContact CD2-CG 3.81Å; F59-L103 HydrophobicContact CE2-CD1 3.64Å; F59-L103 HydrophobicContact CE2-CD2 4.14Å; F59-L103 HydrophobicContact CE2-CG 3.63Å; F59-L103 HydrophobicContact CZ-CD1 4.34Å; M93-L103 HydrophobicContact CG-CD1 3.77Å; V96-L103 HydrophobicContact CB-CD1 4.38Å; V96-L103 HydrophobicContact CG1-CB 4.01Å; V96-L103 HydrophobicContact CG1-CD1 3.87Å; V96-L103 HydrophobicContact CG1-CG 4.27Å; M97-L103 HydrophobicContact CG-CD1 4.04Å; K101-L103 PolarHBondContact O-N 3.43Å; L103-A105 HydrophobicContact CD2-CB 3.79Å; L103-F203 PolarHBondContact N-O 3.09Å; L103-V204 HydrophobicContact CB-CG1 4.45Å; L103-V204 HydrophobicContact CB-CG2 4.12Å; L103-V204 HydrophobicContact CD2-CG1 4.49Å; L103-V204 WeakPolarHBondContact O-CA 3.27Å; L103-L205 PolarHBondContact O-N 3.43Å
104L98.8Very high97.1Very high1 Ų124.7 Ų24.71%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-114.6123.1169.4-18059.9000109.8F57 L58 F59 I106 F203 L205 L224 M225 F228F57-L104 PolarHBondContact O-N 3.24Å; L58-L104 CarbonylContact C-O 3.47Å; L58-L104 VanDerWaalsContact CA-O 3.32Å; L58-L104 WeakPolarHBondContact CA-O 3.32Å; L58-L104 HydrophobicContact CD1-CD2 4.2Å; F59-L104 PolarHBondContact N-O 3.11Å; L104-I106 HydrophobicContact CD2-CD1 4.32Å; L104-I106 HydrophobicContact CG-CD1 4.44Å; L104-I106 HydrophobicContact CG-CG1 4.36Å; L104-F203 HydrophobicContact CB-CE1 4.45Å; L104-L205 CarbonylContact C-O 3.48Å; L104-L205 WeakPolarHBondContact CA-O 3.34Å; L104-L205 HydrophobicContact CD1-CB 4.45Å; L104-L205 HydrophobicContact CD1-CD2 4.37Å; L104-L205 HydrophobicContact CD1-CG 4.43Å; L104-L224 HydrophobicContact CD1-CD1 4.01Å; L104-L224 HydrophobicContact CD2-CD2 4.4Å; L104-L224 HydrophobicContact CD2-CG 4.44Å; L104-M225 HydrophobicContact CD2-SD 3.98Å; L104-F228 HydrophobicContact CB-CD1 4.23Å; L104-F228 HydrophobicContact CB-CD2 3.88Å; L104-F228 HydrophobicContact CB-CE1 4.22Å; L104-F228 HydrophobicContact CB-CE2 3.87Å; L104-F228 HydrophobicContact CB-CG 4.06Å; L104-F228 HydrophobicContact CB-CZ 4.05Å; L104-F228 HydrophobicContact CD2-CD1 4.21Å; L104-F228 HydrophobicContact CD2-CG 4.47Å
105A98.8Very high97.1Very high0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-118.6119.9-175.100000111.3F59 L103 G109 V110 L205 G206 V207F59-A105 HydrophobicContact CB-CB 4.27Å; L103-A105 HydrophobicContact CD2-CB 3.79Å; A105-G109 WeakPolarHBondContact CB-O 3.29Å; A105-V110 HydrophobicContact CB-CB 4.43Å; A105-L205 PolarHBondContact N-O 3.34Å; A105-G206 CarbonylContact O-C 3.56Å; A105-G206 WeakPolarHBondContact O-CA 3.46Å; A105-V207 PolarHBondContact O-N 3.12Å
106I98.8Very high97.1Very high0 Ų018.7 Ų18.70%011%0.106CC..EExtended strand (participates in β ladder)trans-115128-172.7-67.6172.8000109.8Y24 L58 F59 T60 G61 L104 R108 G109 V207 P211 E212Y24-I106 HydrophobicContact CD1-CD1 4.26Å; Y24-I106 HydrophobicContact CE1-CB 4.38Å; Y24-I106 HydrophobicContact CE1-CD1 3.76Å; Y24-I106 HydrophobicContact CE1-CG2 4.23Å; L58-I106 HydrophobicContact CD1-CD1 4.42Å; L58-I106 HydrophobicContact CD2-CD1 4.29Å; L58-I106 HydrophobicContact CG-CD1 4.49Å; F59-I106 PolarHBondContact O-N 2.98Å; T60-I106 CarbonylContact C-O 3.18Å; G61-I106 WeakPolarHBondContact CA-O 3.2Å; G61-I106 PolarHBondContact N-O 3.38Å; L104-I106 HydrophobicContact CD2-CD1 4.32Å; L104-I106 HydrophobicContact CG-CD1 4.44Å; L104-I106 HydrophobicContact CG-CG1 4.36Å; I106-R108 PolarHBondContact O-N 3.45Å; I106-G109 PolarHBondContact O-N 3.4Å; I106-V207 CarbonylContact C-O 3.58Å; I106-V207 WeakPolarHBondContact CA-O 3.29Å; I106-V207 HydrophobicContact CG1-CG2 4.06Å; I106-P211 HydrophobicContact CD1-CG 4.23Å; I106-E212 WeakPolarHBondContact CG2-OE2 3.46Å
107C98.5Very high97.2Very high8 Ų819.9 Ų19.95%0.05411%0.114CC..THydrogen-bonded Turntrans52.1-98.8177.91790000112.8G109 V110 Q111 V207 H210C107-G109 PolarHBondContact O-N 3.47Å; C107-V110 WeakPolarHBondContact O-CG1 3.42Å; C107-V110 PolarHBondContact O-N 3.07Å; C107-Q111 WeakPolarHBondContact O-CG 3.44Å; C107-Q111 PolarHBondContact O-N 3Å; C107-V207 PolarHBondContact N-O 3.34Å; C107-H210 WeakPolarHBondContact CB-CE1 3.45Å; C107-H210 VanDerWaalsContact CB-NE2 3.31Å; C107-H210 WeakPolarHBondContact CB-NE2 3.33Å; C107-H210 PolarHBondContact SG-NE2 2.79Å
108R98.3Very high97.3Very high0 Ų021 Ų210%014%0.137CC..Hα-helixtrans-55.5-39.6172-173.2-165.2-167.8-83.6-7.3112.6Q63 V65 D86 E89 I106 V110 Q111 L112Q63-R108 WeakPolarHBondContact O-CD 3.27Å; Q63-R108 WeakPolarHBondContact O-CG 3.29Å; Q63-R108 PolarHBondContact O-NE 3.3Å; V65-R108 HydrophobicContact CG2-CG 4.02Å; D86-R108 VanDerWaalsContact CG-NH2 3.33Å; D86-R108 IonicContact OD1-CZ 2.67Å; D86-R108 IonicContact OD1-NH1 3.58Å; D86-R108 IonicContact OD1-NH2 3.72Å; D86-R108 PolarHBondContact OD1-NH2 3.02Å; D86-R108 IonicContact OD2-NH2 2.8Å; E89-R108 VanDerWaalsContact CD-NH1 3.34Å; E89-R108 IonicContact OE1-NH1 3.36Å; E89-R108 IonicContact OE2-CZ 3.52Å; E89-R108 IonicContact OE2-NH1 3.01Å; E89-R108 PolarHBondContact OE2-NH1 3.31Å; I106-R108 PolarHBondContact O-N 3.45Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-V110 PolarHBondContact O-N 3.33Å; R108-Q111 WeakPolarHBondContact O-CB 3.29Å; R108-Q111 PolarHBondContact O-N 3.09Å; R108-L112 PolarHBondContact O-N 3.42Å
109G98.6Very high97.5Very high0 Ų017.1 Ų17.10%011%0.105CC..Hα-helixtrans-58.8-44179.200000112.3A105 I106 C107 Q111 L112 L113A105-G109 WeakPolarHBondContact CB-O 3.29Å; I106-G109 PolarHBondContact O-N 3.4Å; C107-G109 PolarHBondContact O-N 3.47Å; G109-Q111 VanDerWaalsContact C-N 3.33Å; G109-L112 PolarHBondContact O-N 3.08Å; G109-L113 PolarHBondContact O-N 3.31Å
110V98.9Very high97.9Very high0 Ų014 Ų140%09%0.092CC..Hα-helixtrans-69.2-34.8179.764.30000112.1A105 C107 R108 L113 N114 I175 I196 G206 V207 Q208A105-V110 HydrophobicContact CB-CB 4.43Å; C107-V110 WeakPolarHBondContact O-CG1 3.42Å; C107-V110 PolarHBondContact O-N 3.07Å; R108-V110 VanDerWaalsContact C-N 3.33Å; R108-V110 PolarHBondContact O-N 3.33Å; V110-L113 PolarHBondContact O-N 2.96Å; V110-N114 PolarHBondContact O-N 2.73Å; V110-I175 HydrophobicContact CG2-CD1 4.2Å; V110-I196 HydrophobicContact CG2-CD1 3.65Å; V110-I196 HydrophobicContact CG2-CG1 3.37Å; V110-G206 VanDerWaalsContact CG2-C 3.49Å; V110-V207 VanDerWaalsContact CG1-O 3.25Å; V110-V207 WeakPolarHBondContact CG1-O 3.39Å; V110-Q208 HydrophobicContact CG1-CB 4.32Å
111Q98.8Very high98.2Very high6 Ų611.2 Ų11.23%0.0288%0.077CC..Hα-helixtrans-63.2-45.5174.6-66.81614.300110.6V65 C107 R108 G109 L113 N114 V115 L121 Q173 Q208V65-Q111 HydrophobicContact CG2-CB 4.07Å; C107-Q111 WeakPolarHBondContact O-CG 3.44Å; C107-Q111 PolarHBondContact O-N 3Å; R108-Q111 WeakPolarHBondContact O-CB 3.29Å; R108-Q111 PolarHBondContact O-N 3.09Å; G109-Q111 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 2.84Å; Q111-N114 WeakPolarHBondContact O-CB 3.29Å; Q111-N114 PolarHBondContact O-N 3.21Å; Q111-V115 WeakPolarHBondContact O-CG2 3.44Å; Q111-V115 PolarHBondContact O-N 3.11Å; Q111-L121 HydrophobicContact CB-CD1 3.79Å; Q111-L121 HydrophobicContact CB-CD2 3.88Å; Q111-L121 HydrophobicContact CG-CD1 4.39Å; Q111-L121 HydrophobicContact CG-CD2 4.08Å; Q111-Q173 PolarHBondContact NE2-O 2.82Å; Q111-Q208 VanDerWaalsContact NE2-OE1 3.07Å
112L98.6Very high98.5Very high0 Ų011.7 Ų11.70%08%0.078CC..Hα-helixtrans-65.8-38177.8-165.569.9000112.3V65 L69 E89 L90 M93 R108 G109 V115 L116V65-L112 HydrophobicContact CG1-CD1 3.83Å; V65-L112 HydrophobicContact CG2-CB 4.28Å; V65-L112 HydrophobicContact CG2-CD1 4.21Å; L69-L112 HydrophobicContact CD1-CD1 4.29Å; E89-L112 HydrophobicContact CB-CD2 3.36Å; L90-L112 HydrophobicContact CD2-CD1 3.76Å; L90-L112 HydrophobicContact CD2-CD2 4.35Å; L90-L112 HydrophobicContact CD2-CG 3.92Å; L90-L112 HydrophobicContact CG-CD1 3.94Å; L90-L112 HydrophobicContact CG-CD2 4.29Å; L90-L112 HydrophobicContact CG-CG 4.29Å; M93-L112 HydrophobicContact CE-CB 4.11Å; M93-L112 HydrophobicContact CE-CD2 4.15Å; M93-L112 HydrophobicContact CE-CG 4.32Å; M93-L112 HydrophobicContact SD-CG 4.39Å; R108-L112 PolarHBondContact O-N 3.42Å; G109-L112 PolarHBondContact O-N 3.08Å; L112-V115 PolarHBondContact O-N 2.92Å; L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.18Å
113L98.8Very high98.6Very high0 Ų011.7 Ų11.70%08%0.078CC..Hα-helixtrans-58.8-46.8173.2175.862.2000111.7M93 M97 G109 V110 Q111 V115 L116 C117 L182 I196 V204M93-L113 HydrophobicContact CE-CB 4.1Å; M93-L113 HydrophobicContact CG-CD1 4.47Å; M93-L113 WeakPolarHBondContact SD-CA 3.45Å; M93-L113 HydrophobicContact SD-CB 3.82Å; M93-L113 HydrophobicContact SD-CD1 4.08Å; M93-L113 PolarHBondContact SD-N 3.32Å; M97-L113 HydrophobicContact CE-CD1 3.95Å; M97-L113 HydrophobicContact SD-CD1 3.74Å; G109-L113 PolarHBondContact O-N 3.31Å; V110-L113 PolarHBondContact O-N 2.96Å; Q111-L113 PolarHBondContact O-N 2.84Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.39Å; L113-L116 PolarHBondContact O-N 3.06Å; L113-C117 PolarHBondContact O-N 3.49Å; L113-L182 HydrophobicContact CD2-CD2 4.49Å; L113-L182 HydrophobicContact CG-CD2 4.33Å; L113-I196 HydrophobicContact CB-CD1 4.39Å; L113-I196 HydrophobicContact CD2-CD1 3.9Å; L113-I196 HydrophobicContact CD2-CG1 4.27Å; L113-I196 HydrophobicContact CG-CD1 4.02Å; L113-V204 HydrophobicContact CD1-CG1 4.2Å; L113-V204 HydrophobicContact CD2-CG1 3.89Å
114N98.9Very high98.5Very high0 Ų012.7 Ų12.70%08%0.084CC..Hα-helixtrans-59.4-46.5176.5-172.561.5000111.8V110 Q111 C117 G118 G119 T120 I175 D177 L178 G179 I196V110-N114 PolarHBondContact O-N 2.73Å; Q111-N114 WeakPolarHBondContact O-CB 3.29Å; Q111-N114 PolarHBondContact O-N 3.21Å; N114-C117 CarbonylContact O-C 3.58Å; N114-C117 PolarHBondContact O-N 3.02Å; N114-G118 PolarHBondContact O-N 2.64Å; N114-G119 WeakPolarHBondContact O-CA 3.4Å; N114-G119 PolarHBondContact O-N 2.83Å; N114-T120 PolarHBondContact ND2-N 2.96Å; N114-T120 PolarHBondContact ND2-O 3.29Å; N114-T120 VanDerWaalsContact ND2-O 3.11Å; N114-I175 HydrophobicContact CB-CD1 3.96Å; N114-I175 HydrophobicContact CB-CG1 4Å; N114-D177 PolarHBondContact ND2-O 2.87Å; N114-D177 PolarHBondContact OD1-O 2.82Å; N114-L178 WeakPolarHBondContact OD1-CA 3.16Å; N114-G179 PolarHBondContact OD1-N 2.9Å; N114-I196 HydrophobicContact CB-CD1 4.13Å
115V98.7Very high98.4Very high9 Ų912.9 Ų12.96%0.0559%0.085CC..Hα-helixtrans-64.1-42.2179.4171.10000111.9V65 L69 Y70 Q111 L112 L113 C117 G118 L121V65-V115 HydrophobicContact CG1-CG2 4.37Å; L69-V115 HydrophobicContact CB-CG1 3.71Å; Y70-V115 HydrophobicContact CD1-CG1 4.31Å; Y70-V115 HydrophobicContact CD1-CG2 3.66Å; Y70-V115 HydrophobicContact CE1-CG2 4.48Å; Y70-V115 HydrophobicContact CG-CG2 4.24Å; Q111-V115 WeakPolarHBondContact O-CG2 3.44Å; Q111-V115 PolarHBondContact O-N 3.11Å; L112-V115 PolarHBondContact O-N 2.92Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.39Å; V115-C117 PolarHBondContact O-N 3.18Å; V115-G118 WeakPolarHBondContact O-CA 3.24Å; V115-G118 PolarHBondContact O-N 3.1Å; V115-L121 HydrophobicContact CG2-CD1 3.79Å; V115-L121 HydrophobicContact CG2-CD2 4.32Å; V115-L121 HydrophobicContact CG2-CG 3.79Å
116L98.5Very high98.2Very high57 Ų5717.7 Ų17.730%0.29812%0.116SC..Hα-helixtrans-58.8-36.3176.1178.966000111.8L90 M93 K94 M97 L112 L113 G118L90-L116 HydrophobicContact CD2-CB 4.16Å; L90-L116 HydrophobicContact CD2-CD1 4.01Å; M93-L116 HydrophobicContact CB-CD2 3.95Å; M93-L116 HydrophobicContact CG-CD2 3.52Å; M93-L116 HydrophobicContact SD-CB 4.29Å; M93-L116 HydrophobicContact SD-CD2 3.8Å; K94-L116 HydrophobicContact CB-CD1 4.41Å; K94-L116 HydrophobicContact CB-CD2 4.37Å; M97-L116 HydrophobicContact SD-CD2 3.64Å; L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.18Å; L113-L116 PolarHBondContact O-N 3.06Å; L116-G118 PolarHBondContact O-N 2.64Å
117C98.5Very high97.9Very high24 Ų2421.2 Ų21.216%0.16214%0.14CC..THydrogen-bonded Turntrans-81.69175.1-67.60000113.7L113 N114 V115 G179 A180 L182L113-C117 PolarHBondContact O-N 3.49Å; N114-C117 CarbonylContact O-C 3.58Å; N114-C117 PolarHBondContact O-N 3.02Å; V115-C117 PolarHBondContact O-N 3.18Å; C117-G179 CarbonylContact O-C 3.56Å; C117-G179 WeakPolarHBondContact O-CA 3.47Å; C117-A180 PolarHBondContact O-N 3.24Å; C117-L182 HydrophobicContact CB-CD1 3.62Å; C117-L182 HydrophobicContact CB-CG 3.98Å
118G98.4Very high97.8Very high66 Ų6623.6 Ų23.668%0.6815%0.15SC*.THydrogen-bonded Turntrans82.713.117700000115.1N114 V115 L116N114-G118 PolarHBondContact O-N 2.64Å; V115-G118 WeakPolarHBondContact O-CA 3.24Å; V115-G118 PolarHBondContact O-N 3.1Å; L116-G118 PolarHBondContact O-N 2.64Å
119G98.7Very high97.6Very high2 Ų225.5 Ų25.52%0.02116%0.158CC..  trans-77.4174.7170.400000112.5N114 D177N114-G119 WeakPolarHBondContact O-CA 3.4Å; N114-G119 PolarHBondContact O-N 2.83Å; G119-D177 CarbonylContact C-O 3.53Å; G119-D177 WeakPolarHBondContact CA-O 3.4Å
120T98.7Very high97.3Very high23 Ų2335.6 Ų35.614%0.14120%0.202CC..EExtended strand (participates in β ladder)trans-124.2164.2-179.671.60000111.4N114 K176 D177N114-T120 PolarHBondContact ND2-N 2.96Å; N114-T120 PolarHBondContact ND2-O 3.29Å; N114-T120 VanDerWaalsContact ND2-O 3.11Å; T120-K176 PolarHBondContact O-N 3.28Å; T120-K176 WeakPolarHBondContact OG1-CB 3.37Å; T120-D177 HydrophobicContact CG2-CB 4.26Å; T120-D177 PolarHBondContact N-O 2.94Å; T120-D177 PolarHBondContact O-N 3.3Å; T120-D177 VanDerWaalsContact OG1-CB 3.28Å; T120-D177 WeakPolarHBondContact OG1-CB 3.47Å; T120-D177 VanDerWaalsContact OG1-CG 3.26Å; T120-D177 PolarHBondContact OG1-N 2.96Å; T120-D177 VanDerWaalsContact OG1-N 3.07Å; T120-D177 PolarHBondContact OG1-OD2 3.23Å
121L98.7Very high96.9Very high0 Ų037.5 Ų37.50%022%0.215CC..EExtended strand (participates in β ladder)trans-120.4150.1178.2-55.6175.8000110.8V65 Y70 Q111 V115 G174 I175V65-L121 HydrophobicContact CB-CD1 3.95Å; V65-L121 HydrophobicContact CG1-CD1 4.33Å; V65-L121 HydrophobicContact CG2-CD1 4.33Å; Y70-L121 HydrophobicContact CD1-CD1 4.21Å; Y70-L121 HydrophobicContact CD1-CG 4.28Å; Y70-L121 HydrophobicContact CE1-CB 4.03Å; Y70-L121 HydrophobicContact CE1-CD1 3.76Å; Y70-L121 HydrophobicContact CE1-CG 4.06Å; Y70-L121 HydrophobicContact CE2-CB 4.34Å; Q111-L121 HydrophobicContact CB-CD1 3.79Å; Q111-L121 HydrophobicContact CB-CD2 3.88Å; Q111-L121 HydrophobicContact CG-CD1 4.39Å; Q111-L121 HydrophobicContact CG-CD2 4.08Å; V115-L121 HydrophobicContact CG2-CD1 3.79Å; V115-L121 HydrophobicContact CG2-CD2 4.32Å; V115-L121 HydrophobicContact CG2-CG 3.79Å; L121-G174 CarbonylContact C-O 3.52Å; L121-G174 VanDerWaalsContact CA-O 3.25Å; L121-G174 WeakPolarHBondContact CA-O 3.45Å; L121-I175 HydrophobicContact CD2-CG1 4.17Å
122Y98.2Very high96.5Very high49 Ų4947.5 Ų47.519%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-70.1128.9152.5-63.5-72.6000107.7D124 L125 E128 Y129 Q173 G174 I175 K176 L192Y122-D124 VanDerWaalsContact C-N 3.33Å; Y122-L125 HydrophobicContact CD2-CD2 3.74Å; Y122-L125 HydrophobicContact CG-CD2 4.02Å; Y122-E128 WeakPolarHBondContact CA-OE2 3.37Å; Y122-E128 HydrophobicContact CD1-CB 3.77Å; Y122-E128 HydrophobicContact CE1-CB 4.49Å; Y122-Y129 HydrophobicContact CD2-CD2 4.41Å; Y122-Y129 HydrophobicContact CE1-CD2 4.33Å; Y122-Y129 AromaticContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CE2 4.25Å; Y122-Y129 HydrophobicContact CE2-CG 4.48Å; Y122-Y129 AromaticContact CZ-CD2 3.69Å; Y122-Q173 VanDerWaalsContact O-CA 3.31Å; Y122-Q173 WeakPolarHBondContact O-CA 3.31Å; Y122-G174 PolarHBondContact N-O 2.96Å; Y122-G174 PolarHBondContact O-N 2.98Å; Y122-I175 WeakPolarHBondContact CE2-O 3.44Å; Y122-K176 HydrophobicContact CD1-CB 4.2Å; Y122-K176 HydrophobicContact CD1-CD 4.02Å; Y122-K176 HydrophobicContact CD1-CG 4.22Å; Y122-K176 HydrophobicContact CD2-CB 3.69Å; Y122-K176 HydrophobicContact CD2-CG 4.43Å; Y122-K176 HydrophobicContact CE1-CB 4.14Å; Y122-K176 HydrophobicContact CE1-CD 3.94Å; Y122-K176 HydrophobicContact CE1-CG 3.83Å; Y122-K176 VanDerWaalsContact CE2-CA 3.49Å; Y122-K176 HydrophobicContact CE2-CB 3.63Å; Y122-K176 HydrophobicContact CE2-CG 4.06Å; Y122-K176 HydrophobicContact CG-CB 3.98Å; Y122-L192 HydrophobicContact CD2-CD1 4.24Å; Y122-L192 HydrophobicContact CE2-CD1 4.23Å
123Q98Very high96.2Very high0 Ų049.2 Ų49.20%027%0.267CS..SBendtrans-72.3-30.8174.1-73.4-174.154.700111.4P67 Y70 E72 E73 C78 E128P67-Q123 HydrophobicContact CB-CG 4.47Å; P67-Q123 HydrophobicContact CG-CG 4.02Å; Y70-Q123 HydrophobicContact CE2-CG 4.46Å; Y70-Q123 WeakPolarHBondContact OH-CG 3.1Å; E72-Q123 PolarHBondContact OE2-NE2 3.1Å; E72-Q123 VanDerWaalsContact OE2-NE2 3.07Å; E73-Q123 PolarHBondContact O-NE2 2.96Å; C78-Q123 HydrophobicContact CB-CB 4.39Å; Q123-E128 WeakPolarHBondContact CA-OE2 3.1Å; Q123-E128 PolarHBondContact N-OE2 3.43Å
124D96.7Very high95.8Very high22 Ų2253.3 Ų53.312%0.11829%0.289CS..  trans-155.1104.6177.1-178.766.7000111.7V77 Y122 P126 S127 E128 H172V77-D124 HydrophobicContact CB-CB 3.77Å; V77-D124 HydrophobicContact CG2-CB 3.51Å; Y122-D124 VanDerWaalsContact C-N 3.33Å; D124-P126 WeakPolarHBondContact OD1-CD 3.39Å; D124-S127 WeakPolarHBondContact CB-OG 3.45Å; D124-S127 PolarHBondContact O-N 3.44Å; D124-S127 VanDerWaalsContact O-N 3.16Å; D124-S127 PolarHBondContact O-OG 2.85Å; D124-S127 VanDerWaalsContact OD2-CB 3.26Å; D124-S127 WeakPolarHBondContact OD2-CB 3.42Å; D124-S127 PolarHBondContact OD2-N 3.16Å; D124-S127 VanDerWaalsContact OD2-N 3.09Å; D124-S127 PolarHBondContact OD2-OG 2.78Å; D124-E128 PolarHBondContact N-OE2 3.43Å; D124-E128 WeakPolarHBondContact O-CB 3.46Å; D124-E128 WeakPolarHBondContact O-CG 3.14Å; D124-E128 PolarHBondContact O-N 2.83Å; D124-H172 CarbonylContact C-O 3.59Å; D124-H172 WeakPolarHBondContact CA-O 3.41Å; D124-H172 IonicContact OD1-CG 3.88Å; D124-H172 IonicContact OD1-ND1 3.43Å; D124-H172 PolarHBondContact OD1-ND1 2.9Å
125L96.5Very high95.6Very high5 Ų553.8 Ų53.83%0.02629%0.292CS..Hα-helixtrans-54.5-45.9179.5-68.7169.6000112.8Y122 S127 E128 Y129 H135 H171 H172 L192Y122-L125 HydrophobicContact CD2-CD2 3.74Å; Y122-L125 HydrophobicContact CG-CD2 4.02Å; L125-S127 PolarHBondContact O-N 2.77Å; L125-E128 PolarHBondContact O-N 3.5Å; L125-Y129 HydrophobicContact CD2-CD1 4.16Å; L125-Y129 HydrophobicContact CD2-CG 3.91Å; L125-Y129 CarbonylContact O-C 3.59Å; L125-Y129 WeakPolarHBondContact O-CA 3.22Å; L125-Y129 WeakPolarHBondContact O-CB 3.2Å; L125-Y129 PolarHBondContact O-N 3.21Å; L125-H135 HydrophobicContact CD1-CB 4.28Å; L125-H171 VanDerWaalsContact CD1-CE1 3.47Å; L125-H171 WeakPolarHBondContact CD1-CE1 3.27Å; L125-H171 WeakPolarHBondContact CD1-ND1 3.28Å; L125-H172 WeakPolarHBondContact CB-O 3.31Å; L125-H172 VanDerWaalsContact CG-O 3.25Å; L125-H172 WeakPolarHBondContact CG-O 3.07Å; L125-H172 PolarHBondContact N-O 3.41Å; L125-L192 HydrophobicContact CD1-CD2 3.68Å; L125-L192 HydrophobicContact CD2-CD1 3.75Å; L125-L192 HydrophobicContact CD2-CD2 4Å
126P94.2Very high95.4Very high101 Ų10157.4 Ų57.466%0.65631%0.308SS*.Hα-helixtrans-54.2-34.6177.1-29.135.4000115.3D124D124-P126 WeakPolarHBondContact OD1-CD 3.39Å
127S94Very high95.3Very high73 Ų7354.9 Ų54.951%0.5129%0.294SS..Hα-helixtrans-96.9-28.9-178.659.60000114.1D124 L125D124-S127 WeakPolarHBondContact CB-OG 3.45Å; D124-S127 PolarHBondContact O-N 3.44Å; D124-S127 VanDerWaalsContact O-N 3.16Å; D124-S127 PolarHBondContact O-OG 2.85Å; D124-S127 VanDerWaalsContact OD2-CB 3.26Å; D124-S127 WeakPolarHBondContact OD2-CB 3.42Å; D124-S127 PolarHBondContact OD2-N 3.16Å; D124-S127 VanDerWaalsContact OD2-N 3.09Å; D124-S127 PolarHBondContact OD2-OG 2.78Å; L125-S127 PolarHBondContact O-N 2.77Å
128E95.6Very high95.1Very high58 Ų5862.2 Ų62.227%0.27132%0.323SS..Hα-helixtrans-106-21.9-172.7-58.7-176.2123.500113.8Q75 Y122 Q123 D124 L125Q75-E128 PolarHBondContact NE2-OE1 2.81Å; Q75-E128 PolarHBondContact OE1-OE1 2.68Å; Y122-E128 WeakPolarHBondContact CA-OE2 3.37Å; Y122-E128 HydrophobicContact CD1-CB 3.77Å; Y122-E128 HydrophobicContact CE1-CB 4.49Å; Q123-E128 WeakPolarHBondContact CA-OE2 3.1Å; Q123-E128 PolarHBondContact N-OE2 3.43Å; D124-E128 PolarHBondContact N-OE2 3.43Å; D124-E128 WeakPolarHBondContact O-CB 3.46Å; D124-E128 WeakPolarHBondContact O-CG 3.14Å; D124-E128 PolarHBondContact O-N 2.83Å; L125-E128 PolarHBondContact O-N 3.5Å
129Y94.1Very high94.9Very high41 Ų4162.2 Ų62.216%0.16132%0.317CS..SBendtrans-119.7119.9-174.2-167.3-106.9000112.3Y122 L125 S131 D190 G191 L192Y122-Y129 HydrophobicContact CD2-CD2 4.41Å; Y122-Y129 HydrophobicContact CE1-CD2 4.33Å; Y122-Y129 AromaticContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CD2 3.73Å; Y122-Y129 HydrophobicContact CE2-CE2 4.25Å; Y122-Y129 HydrophobicContact CE2-CG 4.48Å; Y122-Y129 AromaticContact CZ-CD2 3.69Å; L125-Y129 HydrophobicContact CD2-CD1 4.16Å; L125-Y129 HydrophobicContact CD2-CG 3.91Å; L125-Y129 CarbonylContact O-C 3.59Å; L125-Y129 WeakPolarHBondContact O-CA 3.22Å; L125-Y129 WeakPolarHBondContact O-CB 3.2Å; L125-Y129 PolarHBondContact O-N 3.21Å; Y129-S131 PolarHBondContact O-N 2.84Å; Y129-D190 HydrophobicContact CE1-CB 4.39Å; Y129-D190 PolarHBondContact OH-O 3.41Å; Y129-G191 VanDerWaalsContact OH-C 3.24Å; Y129-L192 HydrophobicContact CE1-CB 4.03Å; Y129-L192 HydrophobicContact CE1-CD1 4.39Å; Y129-L192 HydrophobicContact CE2-CD1 4.44Å; Y129-L192 PolarHBondContact OH-N 3.35Å; Y129-L192 VanDerWaalsContact OH-N 3.17Å
130K91.3Very high94.7Very high211 Ų21165.5 Ų65.592%0.91734%0.338SS*.  trans-78.392.2-177.8-68.9-178.5-175.7172.90110.9
131S92.2Very high94.6Very high41 Ų4167.4 Ų67.429%0.28734%0.343SS..  trans-125.5157.2175.4-1710000113.8Y129 I133 D190Y129-S131 PolarHBondContact O-N 2.84Å; S131-I133 WeakPolarHBondContact OG-CB 3.43Å; S131-I133 PolarHBondContact OG-N 2.81Å; S131-D190 WeakPolarHBondContact CB-OD2 3.16Å; S131-D190 WeakPolarHBondContact OG-CB 3.39Å; S131-D190 PolarHBondContact OG-OD2 3Å
132K89.8Confident94.5Very high215 Ų21572.2 Ų72.294%0.93537%0.369SS*.SBendtrans-104.1-7.6164.4-65.4-176.5-178.7177.10112.4
133I91.4Very high94.4Very high36 Ų3674.1 Ų74.119%0.18538%0.38CS..SBendtrans-77.9134.7175.5-59.2-179.6000107.3S131 H135 H146 T189 D190S131-I133 WeakPolarHBondContact OG-CB 3.43Å; S131-I133 PolarHBondContact OG-N 2.81Å; I133-H135 PolarHBondContact O-N 3.21Å; I133-H146 HydrophobicContact CG2-CB 4.03Å; I133-H146 VanDerWaalsContact CG2-ND1 3.33Å; I133-H146 WeakPolarHBondContact CG2-ND1 3.25Å; I133-T189 VanDerWaalsContact CD1-OG1 3.29Å; I133-T189 WeakPolarHBondContact CD1-OG1 3.23Å; I133-D190 HydrophobicContact CD1-CB 3.74Å; I133-D190 HydrophobicContact CG1-CB 4.21Å
134D92Very high94.3Very high86 Ų8678.2 Ų78.246%0.4640%0.404SS..  trans-87.899.917217620.3000108.8H136 Q145D134-H136 VanDerWaalsContact C-N 3.27Å; D134-H136 PolarHBondContact OD1-N 2.79Å; D134-H136 VanDerWaalsContact OD1-N 3.12Å; D134-Q145 WeakPolarHBondContact O-CG 3.31Å; D134-Q145 PolarHBondContact O-NE2 2.86Å
135H94.5Very high94.4Very high11 Ų1180.1 Ų80.15%0.05141%0.413CS..SBendtrans-81.7-3.3178.4-70.8-70.6000113.6L125 I133 H146 S169 Y170 H171 D190 E194L125-H135 HydrophobicContact CD1-CB 4.28Å; I133-H135 PolarHBondContact O-N 3.21Å; H135-H146 AromaticContact CE1-CE1 3.81Å; H135-H146 AromaticContact ND1-CE1 3.5Å; H135-H146 PolarHBondContact ND1-CE1 2.97Å; H135-S169 WeakPolarHBondContact CA-OG 3.28Å; H135-S169 PolarHBondContact ND1-OG 2.89Å; H135-S169 CarbonylContact O-C 3.52Å; H135-S169 PolarHBondContact O-OG 2.92Å; H135-Y170 WeakPolarHBondContact O-CA 3.5Å; H135-Y170 PolarHBondContact O-N 2.92Å; H135-H171 CarbonylContact C-O 3.49Å; H135-H171 AromaticContact ND1-CE1 3.87Å; H135-H171 AromaticContact ND1-NE2 3.61Å; H135-H171 PolarHBondContact O-N 3.1Å; H135-D190 IonicContact CD2-OD2 3.03Å; H135-D190 IonicContact CE1-OD2 2.78Å; H135-D190 IonicContact NE2-OD1 3.22Å; H135-D190 IonicContact NE2-OD2 3.84Å; H135-D190 PolarHBondContact NE2-OD2 3.23Å; H135-E194 IonicContact CE1-OE1 3.76Å; H135-E194 PolarHBondContact CE1-OE1 3.49Å; H135-E194 VanDerWaalsContact CE1-OE1 3.32Å; H135-E194 IonicContact ND1-OE1 3.67Å
136H94.2Very high94.4Very high85 Ų8580.8 Ų80.839%0.39442%0.416SS..BIsolated β-bridgetrans-126.666.4-179.1-160.5152000109.5D134 Y170D134-H136 VanDerWaalsContact C-N 3.27Å; D134-H136 PolarHBondContact OD1-N 2.79Å; D134-H136 VanDerWaalsContact OD1-N 3.12Å; H136-Y170 AromaticContact CD2-CD2 3.45Å; H136-Y170 VanDerWaalsContact CD2-CD2 3.45Å; H136-Y170 WeakPolarHBondContact CD2-CD2 3.43Å; H136-Y170 AromaticContact CD2-CE2 3.37Å; H136-Y170 WeakPolarHBondContact CD2-CE2 3.37Å; H136-Y170 AromaticContact NE2-CD2 3.71Å; H136-Y170 AromaticContact NE2-CE2 3.15Å; H136-Y170 WeakPolarHBondContact NE2-CE2 3.39Å; H136-Y170 AromaticContact NE2-CZ 3.83Å
137M95.7Very high94.6Very high3 Ų382 Ų822%0.01541%0.41CS..PPolyproline II helixtrans-59.9158.9-17779.1-170.5-67.700112P140 Y141 Q143 Q145 N168 S169M137-P140 WeakPolarHBondContact CE-O 3.4Å; M137-Y141 HydrophobicContact CG-CD1 3.7Å; M137-Y141 HydrophobicContact CG-CE1 4.1Å; M137-Y141 HydrophobicContact SD-CD1 4.06Å; M137-Q143 HydrophobicContact CE-CG 3.51Å; M137-Q145 HydrophobicContact CB-CG 4.18Å; M137-Q145 HydrophobicContact CE-CB 4.37Å; M137-Q145 HydrophobicContact SD-CB 4.24Å; M137-N168 HydrophobicContact SD-CB 3.83Å; M137-S169 VanDerWaalsContact CB-O 3.28Å; M137-S169 WeakPolarHBondContact CB-O 3.06Å; M137-S169 WeakPolarHBondContact CG-O 3.28Å; M137-S169 PolarHBondContact N-O 2.84Å; M137-S169 PolarHBondContact SD-N 2.8Å
138K94.7Very high94.8Very high178 Ų17878.5 Ų78.577%0.77439%0.386SS*.PPolyproline II helixtrans-91.4152.4167.3-64.6177.9-176.6174.90109.6
139A93.9Very high94.9Very high67 Ų6778.5 Ų78.555%0.55439%0.388SS*.SBendtrans-49.5144.5170.100000111.1Y141A139-Y141 HydrophobicContact CB-CD2 4.45Å; A139-Y141 HydrophobicContact CB-CE1 4.28Å; A139-Y141 HydrophobicContact CB-CE2 4.03Å
140P94.9Very high95.1Very high71 Ų7176.8 Ų76.846%0.46138%0.382SS..PPolyproline II helixcis-80.7146.57.836.2-38.1000113.3M137 D142 Q143M137-P140 WeakPolarHBondContact CE-O 3.4Å; P140-D142 WeakPolarHBondContact CB-OD1 3.34Å; P140-Q143 WeakPolarHBondContact O-CG 3.29Å
141Y96.5Very high95.4Very high62 Ų6268.7 Ų68.724%0.24335%0.351CS..  trans-95.4-4.5-173.4-54.8-59.3000114.3M137 A139 Q143 N168 Y170 F213M137-Y141 HydrophobicContact CG-CD1 3.7Å; M137-Y141 HydrophobicContact CG-CE1 4.1Å; M137-Y141 HydrophobicContact SD-CD1 4.06Å; A139-Y141 HydrophobicContact CB-CD2 4.45Å; A139-Y141 HydrophobicContact CB-CE1 4.28Å; A139-Y141 HydrophobicContact CB-CE2 4.03Å; Y141-Q143 PolarHBondContact O-N 2.8Å; Y141-N168 VanDerWaalsContact O-CB 3.23Å; Y141-N168 WeakPolarHBondContact O-CB 3.4Å; Y141-N168 PolarHBondContact O-ND2 2.92Å; Y141-Y170 HydrophobicContact CD1-CD2 4.28Å; Y141-Y170 HydrophobicContact CD1-CG 4.38Å; Y141-Y170 AromaticContact CE1-CD2 3.6Å; Y141-Y170 HydrophobicContact CE1-CD2 3.6Å; Y141-Y170 AromaticContact CE1-CE2 3.87Å; Y141-Y170 HydrophobicContact CE1-CE2 3.87Å; Y141-Y170 HydrophobicContact CE1-CG 4.07Å; Y141-Y170 AromaticContact CZ-CE2 3.94Å; Y141-F213 VanDerWaalsContact CB-CD2 3.5Å; Y141-F213 HydrophobicContact CD2-CD1 4.48Å; Y141-F213 HydrophobicContact CD2-CE1 4.11Å; Y141-F213 HydrophobicContact CD2-CE2 4.27Å; Y141-F213 HydrophobicContact CD2-CZ 4.01Å; Y141-F213 HydrophobicContact CG-CD2 4.24Å; Y141-F213 HydrophobicContact CG-CE2 4.17Å; Y141-F213 HydrophobicContact CG-CZ 4.38Å
142D96.2Very high95.6Very high101 Ų10174.5 Ų74.554%0.5437%0.374SS..SBendtrans-87.617.4-178.663.9-20.1000112.8P140 F213 F214P140-D142 WeakPolarHBondContact CB-OD1 3.34Å; D142-F213 WeakPolarHBondContact CB-O 3.18Å; D142-F214 WeakPolarHBondContact O-CD1 3.48Å; D142-F214 WeakPolarHBondContact O-CE1 3.35Å
143Q96.4Very high95.7Very high89 Ų8969.6 Ų69.642%0.41636%0.357SS..SBendtrans-118150.8-179.568.3-179.413.600111.7M137 P140 Y141 Q145 N168M137-Q143 HydrophobicContact CE-CG 3.51Å; P140-Q143 WeakPolarHBondContact O-CG 3.29Å; Y141-Q143 PolarHBondContact O-N 2.8Å; Q143-Q145 PolarHBondContact O-N 3.03Å; Q143-N168 WeakPolarHBondContact O-CB 3.46Å
144V96.8Very high95.7Very high86 Ų8667.9 Ų67.952%0.52135%0.348SS..  trans-67121.4172.41750000109.7H146V144-H146 WeakPolarHBondContact CG1-O 3.34Å
145Q97Very high95.8Very high63 Ų6366.1 Ų66.129%0.29434%0.339SS..  trans-91.9-46.6176.5179.365.72.400111.2D134 M137 Q143 V167D134-Q145 WeakPolarHBondContact O-CG 3.31Å; D134-Q145 PolarHBondContact O-NE2 2.86Å; M137-Q145 HydrophobicContact CB-CG 4.18Å; M137-Q145 HydrophobicContact CE-CB 4.37Å; M137-Q145 HydrophobicContact SD-CB 4.24Å; Q143-Q145 PolarHBondContact O-N 3.03Å; Q145-V167 PolarHBondContact N-O 2.99Å
146H97.1Very high95.9Very high19 Ų1965.7 Ų65.79%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-151.3-174.917760.2-100.6000111.5I133 H135 V144 G166 V167 S169 E194I133-H146 HydrophobicContact CG2-CB 4.03Å; I133-H146 VanDerWaalsContact CG2-ND1 3.33Å; I133-H146 WeakPolarHBondContact CG2-ND1 3.25Å; H135-H146 AromaticContact CE1-CE1 3.81Å; H135-H146 AromaticContact ND1-CE1 3.5Å; H135-H146 PolarHBondContact ND1-CE1 2.97Å; V144-H146 WeakPolarHBondContact CG1-O 3.34Å; H146-G166 WeakPolarHBondContact O-CA 3.2Å; H146-V167 PolarHBondContact N-O 2.9Å; H146-V167 PolarHBondContact O-N 2.92Å; H146-S169 WeakPolarHBondContact CE1-CB 3.24Å; H146-E194 IonicContact CD2-OE1 3.46Å; H146-E194 IonicContact CE1-OE1 2.72Å; H146-E194 PolarHBondContact CE1-OE1 2.98Å; H146-E194 IonicContact NE2-OE1 3.75Å; H146-E194 PolarHBondContact NE2-OE1 3.08Å; H146-E194 IonicContact NE2-OE2 3.78Å; H146-E194 PolarHBondContact NE2-OE2 3.44Å
147K97.6Very high96Very high125 Ų12563 Ų6354%0.54333%0.325SS..EExtended strand (participates in β ladder)trans-113.4145.3178.2-64.8-175.8179.4-175.30111.1L165K147-L165 CarbonylContact C-O 3.52Å; K147-L165 VanDerWaalsContact CA-O 3.24Å; K147-L165 WeakPolarHBondContact CA-O 3.4Å
148V98.5Very high95.7Very high0 Ų067 Ų670%034%0.343CS..EExtended strand (participates in β ladder)trans-111.9145166.5-60.70000109.5L150 K164 L165 V167 A186 I187 E194V148-L150 HydrophobicContact CG2-CD2 4Å; V148-K164 VanDerWaalsContact O-CA 3.29Å; V148-K164 WeakPolarHBondContact O-CA 3.29Å; V148-L165 HydrophobicContact CG2-CB 3.86Å; V148-L165 PolarHBondContact N-O 2.98Å; V148-L165 PolarHBondContact O-N 3.26Å; V148-V167 HydrophobicContact CG1-CG1 4.49Å; V148-V167 HydrophobicContact CG1-CG2 3.91Å; V148-V167 HydrophobicContact CG2-CG1 3.96Å; V148-A186 HydrophobicContact CB-CB 4.17Å; V148-A186 HydrophobicContact CG2-CB 4.01Å; V148-I187 CarbonylContact C-O 3.5Å; V148-I187 VanDerWaalsContact CA-O 3.29Å; V148-I187 WeakPolarHBondContact CA-O 3.5Å; V148-E194 HydrophobicContact CG1-CB 4.07Å; V148-E194 HydrophobicContact CG1-CG 4.4Å
149D98.6Very high95.5Very high58 Ų5860.1 Ų60.131%0.3132%0.315SS..EExtended strand (participates in β ladder)trans-87.1134.3168-66.2-36.7000108.4D163 K164 A186 I187D149-D163 WeakPolarHBondContact CA-O 3.28Å; D149-K164 WeakPolarHBondContact OD1-CG 3.24Å; D149-K164 IonicContact OD1-NZ 2.71Å; D149-K164 PolarHBondContact OD1-NZ 3.37Å; D149-K164 IonicContact OD2-NZ 3.46Å; D149-A186 WeakPolarHBondContact O-CA 3.1Å; D149-I187 PolarHBondContact N-O 3.38Å; D149-I187 PolarHBondContact O-N 3.02Å
150L98.5Very high95.4Very high5 Ų557.6 Ų57.63%0.02629%0.292CS..  trans-103.7111.5177.5-53.9-175.7000107.5V148 L156 Q157 L160 R162 D163 L165 T185 A186V148-L150 HydrophobicContact CG2-CD2 4Å; L150-L156 HydrophobicContact CD1-CB 4.35Å; L150-L156 HydrophobicContact CD2-CB 4.1Å; L150-L156 HydrophobicContact CD2-CD1 4.23Å; L150-Q157 HydrophobicContact CB-CB 3.91Å; L150-Q157 HydrophobicContact CB-CG 4.32Å; L150-L160 HydrophobicContact CD1-CB 4.45Å; L150-L160 HydrophobicContact CD1-CD1 3.91Å; L150-R162 HydrophobicContact CD1-CG 4.13Å; L150-R162 WeakPolarHBondContact CD1-O 3.35Å; L150-D163 PolarHBondContact N-O 2.76Å; L150-L165 HydrophobicContact CD1-CB 4.17Å; L150-L165 HydrophobicContact CD2-CB 4.43Å; L150-L165 HydrophobicContact CG-CB 4.44Å; L150-T185 WeakPolarHBondContact CD2-O 3.39Å; L150-A186 HydrophobicContact CD2-CB 3.71Å
151P98Very high95.3Very high42 Ų4261.7 Ų61.727%0.27331%0.305SS..  trans-57.1143.5-179.5-26.536.7000112.5G154 Q157 T185 I187P151-G154 PolarHBondContact O-N 3.16Å; P151-G154 VanDerWaalsContact O-N 3.1Å; P151-Q157 WeakPolarHBondContact O-CB 3.29Å; P151-Q157 WeakPolarHBondContact O-CG 3.41Å; P151-T185 VanDerWaalsContact CD-O 3.31Å; P151-T185 WeakPolarHBondContact CD-O 3.44Å; P151-I187 HydrophobicContact CG-CD1 4.47Å
152E96.3Very high95.2Very high163 Ų16362.5 Ų62.576%0.76231%0.307SS*.THydrogen-bonded Turntrans-53.3139.1173.9-172.8173.5-163.100110.5G154E152-G154 PolarHBondContact O-N 3.42Å
153D90.6Very high95.3Very high111 Ų11162.5 Ų62.559%0.59431%0.308SS*.THydrogen-bonded Turntrans61.3-1.9-175.7-59.8-40.6000116.3Q158D153-Q158 PolarHBondContact O-NE2 2.87Å
154G92.1Very high95.4Very high0 Ų063.9 Ų63.90%031%0.312CS..  trans-68.1148.6175.200000112.2P151 E152 L156 Q157 Q158P151-G154 PolarHBondContact O-N 3.16Å; P151-G154 VanDerWaalsContact O-N 3.1Å; E152-G154 PolarHBondContact O-N 3.42Å; G154-L156 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 3.5Å; G154-L156 VanDerWaalsContact O-N 3.1Å; G154-Q157 WeakPolarHBondContact O-CA 3.35Å; G154-Q157 WeakPolarHBondContact O-CB 3.44Å; G154-Q157 PolarHBondContact O-N 3.4Å; G154-Q158 PolarHBondContact O-N 3.45Å
155L94Very high95.4Very high49 Ų4960.4 Ų60.426%0.25729%0.291SS..Hα-helixtrans-50.9-42.7-174.2178.259.8000113.8L159 T185 L205L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 PolarHBondContact O-N 3.19Å; L155-T185 HydrophobicContact CB-CG2 4.04Å; L155-L205 HydrophobicContact CD2-CB 4.1Å; L155-L205 HydrophobicContact CD2-CD1 4.19Å
156L95.7Very high95.5Very high3 Ų358.7 Ų58.72%0.01629%0.29CS..Hα-helixtrans-69.8-37.5177.6-80.4171.1000113.2L150 G154 L159 L160 T185 A186 L205 V207 W209L150-L156 HydrophobicContact CD1-CB 4.35Å; L150-L156 HydrophobicContact CD2-CB 4.1Å; L150-L156 HydrophobicContact CD2-CD1 4.23Å; G154-L156 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 3.5Å; G154-L156 VanDerWaalsContact O-N 3.1Å; L156-L159 PolarHBondContact O-N 2.93Å; L156-L160 HydrophobicContact CD2-CD1 4.31Å; L156-L160 VanDerWaalsContact O-CB 3.28Å; L156-L160 WeakPolarHBondContact O-CB 3.34Å; L156-L160 WeakPolarHBondContact O-CG 3.48Å; L156-L160 PolarHBondContact O-N 2.8Å; L156-T185 WeakPolarHBondContact CD1-OG1 3.28Å; L156-A186 HydrophobicContact CD1-CB 3.93Å; L156-L205 HydrophobicContact CD1-CD1 4.23Å; L156-L205 HydrophobicContact CD2-CD1 4.22Å; L156-L205 HydrophobicContact CD2-CD2 3.83Å; L156-L205 HydrophobicContact CG-CD1 3.85Å; L156-L205 HydrophobicContact CG-CD2 4.36Å; L156-V207 HydrophobicContact CD1-CG1 4.26Å; L156-V207 HydrophobicContact CD2-CG1 4.5Å; L156-W209 HydrophobicContact CD1-CH2 3.65Å; L156-W209 HydrophobicContact CD1-CZ3 4.44Å; L156-W209 HydrophobicContact CD2-CH2 4.45Å
157Q96.8Very high95.5Very high29 Ų2957.8 Ų57.814%0.13629%0.286CS..Hα-helixtrans-63.3-46.4177.6-171.2-74.3-26.200109.6L150 P151 G154 L160 Q161 R162 D163L150-Q157 HydrophobicContact CB-CB 3.91Å; L150-Q157 HydrophobicContact CB-CG 4.32Å; P151-Q157 WeakPolarHBondContact O-CB 3.29Å; P151-Q157 WeakPolarHBondContact O-CG 3.41Å; G154-Q157 WeakPolarHBondContact O-CA 3.35Å; G154-Q157 WeakPolarHBondContact O-CB 3.44Å; G154-Q157 PolarHBondContact O-N 3.4Å; Q157-L160 PolarHBondContact O-N 2.94Å; Q157-Q161 VanDerWaalsContact O-CA 3.24Å; Q157-Q161 WeakPolarHBondContact O-CA 3.26Å; Q157-Q161 PolarHBondContact O-N 3.04Å; Q157-R162 WeakPolarHBondContact CG-O 3.48Å; Q157-R162 PolarHBondContact O-N 3.21Å; Q157-D163 PolarHBondContact NE2-OD1 3.31Å
158Q90.5Very high95.5Very high87 Ų8751.9 Ų51.941%0.40726%0.26SS..Hα-helixtrans-64.1-43.4177.8-66.6-177.9-32.600112D153 G154 Q161D153-Q158 PolarHBondContact O-NE2 2.87Å; G154-Q158 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-NE2 3.35Å
159L90.2Very high95.5Very high32 Ų3251.9 Ų51.917%0.16826%0.26CS..Hα-helixtrans-67.7-39.1-179.1-179.5148.9000112.5L155 L156 F203 A223 L224 A227L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 PolarHBondContact O-N 3.19Å; L156-L159 PolarHBondContact O-N 2.93Å; L159-F203 HydrophobicContact CD1-CE2 4.4Å; L159-A223 HydrophobicContact CD2-CB 3.72Å; L159-A223 HydrophobicContact CG-CB 4.32Å; L159-L224 HydrophobicContact CD2-CB 4.42Å; L159-A227 HydrophobicContact CD1-CB 3.28Å; L159-A227 HydrophobicContact CG-CB 4.35Å
160L91.6Very high95.3Very high14 Ų1453.2 Ų53.27%0.07326%0.261CS..Hα-helixtrans-98-7.1-176-61.6174.1000113.9L150 L156 Q157 R162 L165 E220 A223L150-L160 HydrophobicContact CD1-CB 4.45Å; L150-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD2-CD1 4.31Å; L156-L160 VanDerWaalsContact O-CB 3.28Å; L156-L160 WeakPolarHBondContact O-CB 3.34Å; L156-L160 WeakPolarHBondContact O-CG 3.48Å; L156-L160 PolarHBondContact O-N 2.8Å; Q157-L160 PolarHBondContact O-N 2.94Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 HydrophobicContact CB-CG 3.85Å; L160-R162 PolarHBondContact O-N 3.46Å; L160-R162 PolarHBondContact O-NE 3.17Å; L160-L165 HydrophobicContact CD1-CD1 4.32Å; L160-L165 HydrophobicContact CD1-CD2 3.82Å; L160-E220 HydrophobicContact CD2-CB 3.99Å; L160-E220 HydrophobicContact CD2-CG 4.19Å; L160-A223 HydrophobicContact CD2-CB 4.2Å
161Q91.7Very high95.2Very high157 Ų15753.4 Ų53.473%0.73426%0.262SS*.THydrogen-bonded Turntrans5146.4-179.5-62.1-71.7-4.300112.7Q157 Q158Q157-Q161 VanDerWaalsContact O-CA 3.24Å; Q157-Q161 WeakPolarHBondContact O-CA 3.26Å; Q157-Q161 PolarHBondContact O-N 3.04Å; Q158-Q161 PolarHBondContact O-NE2 3.35Å
162R95.3Very high95.1Very high79 Ų7953.2 Ų53.230%0.29826%0.257SS..SBendtrans-161.4156.5-176.766.9-172.671.1176.44.5112.1L150 Q157 L160 K164 E220L150-R162 HydrophobicContact CD1-CG 4.13Å; L150-R162 WeakPolarHBondContact CD1-O 3.35Å; Q157-R162 WeakPolarHBondContact CG-O 3.48Å; Q157-R162 PolarHBondContact O-N 3.21Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 HydrophobicContact CB-CG 3.85Å; L160-R162 PolarHBondContact O-N 3.46Å; L160-R162 PolarHBondContact O-NE 3.17Å; R162-K164 VanDerWaalsContact CD-O 3.28Å; R162-K164 WeakPolarHBondContact CD-O 3.49Å; R162-E220 IonicContact CZ-OE1 3.93Å; R162-E220 IonicContact NH1-OE1 2.67Å; R162-E220 PolarHBondContact NH1-OE1 2.79Å; R162-E220 IonicContact NH2-OE1 3.14Å; R162-E220 PolarHBondContact NH2-OE1 3.49Å
163D97.7Very high95.1Very high102 Ų10245.5 Ų45.555%0.54522%0.221SC..SBendtrans-96.9-6.3-175.9-45.6-31.9000113.5D149 L150 Q157D149-D163 WeakPolarHBondContact CA-O 3.28Å; L150-D163 PolarHBondContact N-O 2.76Å; Q157-D163 PolarHBondContact NE2-OD1 3.31Å
164K98.1Very high95.4Very high117 Ų11740.2 Ų40.251%0.50919%0.193SC..EExtended strand (participates in β ladder)trans-142.4143.6179.8-60.9-175.1-175.1-88.20111.3V148 D149 R162V148-K164 VanDerWaalsContact O-CA 3.29Å; V148-K164 WeakPolarHBondContact O-CA 3.29Å; D149-K164 WeakPolarHBondContact OD1-CG 3.24Å; D149-K164 IonicContact OD1-NZ 2.71Å; D149-K164 PolarHBondContact OD1-NZ 3.37Å; D149-K164 IonicContact OD2-NZ 3.46Å; R162-K164 VanDerWaalsContact CD-O 3.28Å; R162-K164 WeakPolarHBondContact CD-O 3.49Å
165L98.1Very high95.8Very high14 Ų1440.4 Ų40.47%0.07319%0.194CC..EExtended strand (participates in β ladder)trans-132.7139.3176.7179.465.4000110.5K147 V148 L150 L160 V167 W209 E220K147-L165 CarbonylContact C-O 3.52Å; K147-L165 VanDerWaalsContact CA-O 3.24Å; K147-L165 WeakPolarHBondContact CA-O 3.4Å; V148-L165 HydrophobicContact CG2-CB 3.86Å; V148-L165 PolarHBondContact N-O 2.98Å; V148-L165 PolarHBondContact O-N 3.26Å; L150-L165 HydrophobicContact CD1-CB 4.17Å; L150-L165 HydrophobicContact CD2-CB 4.43Å; L150-L165 HydrophobicContact CG-CB 4.44Å; L160-L165 HydrophobicContact CD1-CD1 4.32Å; L160-L165 HydrophobicContact CD1-CD2 3.82Å; L165-V167 HydrophobicContact CD2-CG1 3.87Å; L165-V167 HydrophobicContact CG-CG1 3.9Å; L165-W209 HydrophobicContact CD2-CH2 4.01Å; L165-W209 HydrophobicContact CD2-CZ2 3.6Å; L165-E220 HydrophobicContact CD1-CG 3.75Å
166G97.9Very high96Very high27 Ų2741.6 Ų41.628%0.27820%0.197SC..EExtended strand (participates in β ladder)trans-87.2129.8168.200000109.9H146H146-G166 WeakPolarHBondContact O-CA 3.2Å
167V98.3Very high96.1Very high0 Ų045.7 Ų45.70%022%0.219CC..EExtended strand (participates in β ladder)trans-129.3152.7-174.8-61.30000110.9Q145 H146 V148 L165 W209Q145-V167 PolarHBondContact N-O 2.99Å; H146-V167 PolarHBondContact N-O 2.9Å; H146-V167 PolarHBondContact O-N 2.92Å; V148-V167 HydrophobicContact CG1-CG1 4.49Å; V148-V167 HydrophobicContact CG1-CG2 3.91Å; V148-V167 HydrophobicContact CG2-CG1 3.96Å; L165-V167 HydrophobicContact CD2-CG1 3.87Å; L165-V167 HydrophobicContact CG-CG1 3.9Å; V167-W209 HydrophobicContact CB-CB 3.7Å; V167-W209 HydrophobicContact CB-CD2 4.01Å; V167-W209 HydrophobicContact CB-CE3 4.35Å; V167-W209 HydrophobicContact CB-CG 3.73Å; V167-W209 HydrophobicContact CG1-CB 4.21Å; V167-W209 HydrophobicContact CG1-CD2 3.48Å; V167-W209 VanDerWaalsContact CG1-CD2 3.48Å; V167-W209 HydrophobicContact CG1-CE3 3.72Å; V167-W209 HydrophobicContact CG1-CG 3.71Å; V167-W209 HydrophobicContact CG1-CZ2 4.4Å; V167-W209 HydrophobicContact CG1-CZ3 4.28Å; V167-W209 HydrophobicContact CG2-CB 4.34Å
168N98.2Very high96.2Very high0 Ų047.3 Ų47.30%023%0.228CC..  trans-78.1166.916259.63.9000109.2M137 Y141 Q143 W209 H210 F213 F214M137-N168 HydrophobicContact SD-CB 3.83Å; Y141-N168 VanDerWaalsContact O-CB 3.23Å; Y141-N168 WeakPolarHBondContact O-CB 3.4Å; Y141-N168 PolarHBondContact O-ND2 2.92Å; Q143-N168 WeakPolarHBondContact O-CB 3.46Å; N168-W209 WeakPolarHBondContact O-CB 3.27Å; N168-W209 WeakPolarHBondContact OD1-CB 3.22Å; N168-H210 PolarHBondContact ND2-O 2.79Å; N168-H210 PolarHBondContact OD1-N 3.35Å; N168-H210 PolarHBondContact OD1-O 3.36Å; N168-F213 WeakPolarHBondContact ND2-CB 3.44Å; N168-F214 HydrophobicContact CB-CE2 3.94Å; N168-F214 HydrophobicContact CB-CZ 3.77Å; N168-F214 VanDerWaalsContact CG-CE2 3.44Å
169S96.8Very high96.6Very high0 Ų043.3 Ų43.30%021%0.211CC..  trans-152.6116.5178.5-174.30000111.6H135 M137 H146 H171H135-S169 WeakPolarHBondContact CA-OG 3.28Å; H135-S169 PolarHBondContact ND1-OG 2.89Å; H135-S169 CarbonylContact O-C 3.52Å; H135-S169 PolarHBondContact O-OG 2.92Å; M137-S169 VanDerWaalsContact CB-O 3.28Å; M137-S169 WeakPolarHBondContact CB-O 3.06Å; M137-S169 WeakPolarHBondContact CG-O 3.28Å; M137-S169 PolarHBondContact N-O 2.84Å; M137-S169 PolarHBondContact SD-N 2.8Å; H146-S169 WeakPolarHBondContact CE1-CB 3.24Å; S169-H171 PolarHBondContact OG-CD2 3Å; S169-H171 VanDerWaalsContact OG-CD2 3.25Å; S169-H171 PolarHBondContact OG-NE2 3.12Å; S169-H171 VanDerWaalsContact OG-NE2 3.1Å
170Y95.6Very high96.9Very high87 Ų8745.8 Ų45.834%0.34124%0.235SC..BIsolated β-bridgetrans-142.769.2-175.7-175.2-113.9000110.1H135 H136 Y141 H210H135-Y170 WeakPolarHBondContact O-CA 3.5Å; H135-Y170 PolarHBondContact O-N 2.92Å; H136-Y170 AromaticContact CD2-CD2 3.45Å; H136-Y170 VanDerWaalsContact CD2-CD2 3.45Å; H136-Y170 WeakPolarHBondContact CD2-CD2 3.43Å; H136-Y170 AromaticContact CD2-CE2 3.37Å; H136-Y170 WeakPolarHBondContact CD2-CE2 3.37Å; H136-Y170 AromaticContact NE2-CD2 3.71Å; H136-Y170 AromaticContact NE2-CE2 3.15Å; H136-Y170 WeakPolarHBondContact NE2-CE2 3.39Å; H136-Y170 AromaticContact NE2-CZ 3.83Å; Y141-Y170 HydrophobicContact CD1-CD2 4.28Å; Y141-Y170 HydrophobicContact CD1-CG 4.38Å; Y141-Y170 AromaticContact CE1-CD2 3.6Å; Y141-Y170 HydrophobicContact CE1-CD2 3.6Å; Y141-Y170 AromaticContact CE1-CE2 3.87Å; Y141-Y170 HydrophobicContact CE1-CE2 3.87Å; Y141-Y170 HydrophobicContact CE1-CG 4.07Å; Y141-Y170 AromaticContact CZ-CE2 3.94Å; Y170-H210 PolarHBondContact O-NE2 3.47Å
171H95.3Very high97.2Very high8 Ų847.8 Ų47.84%0.03726%0.26CS..  trans-152162.1178.764.199.8000111.2L125 H135 S169 Q173 Q208L125-H171 VanDerWaalsContact CD1-CE1 3.47Å; L125-H171 WeakPolarHBondContact CD1-CE1 3.27Å; L125-H171 WeakPolarHBondContact CD1-ND1 3.28Å; H135-H171 CarbonylContact C-O 3.49Å; H135-H171 AromaticContact ND1-CE1 3.87Å; H135-H171 AromaticContact ND1-NE2 3.61Å; H135-H171 PolarHBondContact O-N 3.1Å; S169-H171 PolarHBondContact OG-CD2 3Å; S169-H171 VanDerWaalsContact OG-CD2 3.25Å; S169-H171 PolarHBondContact OG-NE2 3.12Å; S169-H171 VanDerWaalsContact OG-NE2 3.1Å; H171-Q173 PolarHBondContact ND1-O 3.46Å; H171-Q208 VanDerWaalsContact CE1-CG 3.48Å; H171-Q208 WeakPolarHBondContact CE1-CG 3.13Å; H171-Q208 VanDerWaalsContact CG-NE2 3.33Å; H171-Q208 VanDerWaalsContact NE2-CG 3.33Å; H171-Q208 WeakPolarHBondContact NE2-CG 3.46Å
172H95.9Very high97.6Very high38 Ų3841.1 Ų41.118%0.17623%0.229CC..SBendtrans-131.3-19.5171.274112.8000112.8D64 D124 L125D64-H172 IonicContact OD1-CE1 3.79Å; D64-H172 IonicContact OD1-NE2 4Å; D64-H172 PolarHBondContact OD1-NE2 2.93Å; D64-H172 IonicContact OD2-CE1 3.95Å; D64-H172 PolarHBondContact OD2-CE1 3.17Å; D64-H172 IonicContact OD2-NE2 3.32Å; D124-H172 CarbonylContact C-O 3.59Å; D124-H172 WeakPolarHBondContact CA-O 3.41Å; D124-H172 IonicContact OD1-CG 3.88Å; D124-H172 IonicContact OD1-ND1 3.43Å; D124-H172 PolarHBondContact OD1-ND1 2.9Å; L125-H172 WeakPolarHBondContact CB-O 3.31Å; L125-H172 VanDerWaalsContact CG-O 3.25Å; L125-H172 WeakPolarHBondContact CG-O 3.07Å; L125-H172 PolarHBondContact N-O 3.41Å
173Q97.2Very high97.7Very high2 Ų241.2 Ų41.21%0.00923%0.233CC..  trans-79.1153.8158.9-67-169.1-40.200110.4D64 V65 Q111 Y122 H171D64-Q173 VanDerWaalsContact CA-OE1 3.32Å; D64-Q173 VanDerWaalsContact CG-CD 3.5Å; D64-Q173 PolarHBondContact OD2-NE2 2.57Å; V65-Q173 PolarHBondContact O-NE2 3.39Å; Q111-Q173 PolarHBondContact NE2-O 2.82Å; Y122-Q173 VanDerWaalsContact O-CA 3.31Å; Y122-Q173 WeakPolarHBondContact O-CA 3.31Å; H171-Q173 PolarHBondContact ND1-O 3.46Å
174G97.5Very high97.8Very high0 Ų037.8 Ų37.80%022%0.215CC..EExtended strand (participates in β ladder)trans-160.3162.6176.600000111.7L121 Y122 K176L121-G174 CarbonylContact C-O 3.52Å; L121-G174 VanDerWaalsContact CA-O 3.25Å; L121-G174 WeakPolarHBondContact CA-O 3.45Å; Y122-G174 PolarHBondContact N-O 2.96Å; Y122-G174 PolarHBondContact O-N 2.98Å; G174-K176 PolarHBondContact O-N 2.81Å
175I98.7Very high97.8Very high4 Ų432.2 Ų32.22%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-67.6129.7-179.5-67.3172000110.2V110 N114 L121 Y122 I193 I196V110-I175 HydrophobicContact CG2-CD1 4.2Å; N114-I175 HydrophobicContact CB-CD1 3.96Å; N114-I175 HydrophobicContact CB-CG1 4Å; L121-I175 HydrophobicContact CD2-CG1 4.17Å; Y122-I175 WeakPolarHBondContact CE2-O 3.44Å; I175-I193 HydrophobicContact CB-CB 4.16Å; I175-I193 HydrophobicContact CB-CG2 4.37Å; I175-I193 HydrophobicContact CD1-CG2 3.92Å; I175-I193 HydrophobicContact CG2-CB 4.17Å; I175-I193 HydrophobicContact CG2-CD1 4Å; I175-I193 HydrophobicContact CG2-CG2 4.34Å; I175-I196 HydrophobicContact CD1-CD1 4.05Å; I175-I196 HydrophobicContact CD1-CG1 4.39Å; I175-I196 HydrophobicContact CD1-CG2 3.88Å
176K98.3Very high97.8Very high73 Ų7331.5 Ų31.532%0.31719%0.188SC..EExtended strand (participates in β ladder)trans-104.7-62.4178170.9179.4166.8-170.30111.1E72 T120 Y122 G174E72-K176 IonicContact OE1-NZ 2.82Å; E72-K176 PolarHBondContact OE1-NZ 2.83Å; T120-K176 PolarHBondContact O-N 3.28Å; T120-K176 WeakPolarHBondContact OG1-CB 3.37Å; Y122-K176 HydrophobicContact CD1-CB 4.2Å; Y122-K176 HydrophobicContact CD1-CD 4.02Å; Y122-K176 HydrophobicContact CD1-CG 4.22Å; Y122-K176 HydrophobicContact CD2-CB 3.69Å; Y122-K176 HydrophobicContact CD2-CG 4.43Å; Y122-K176 HydrophobicContact CE1-CB 4.14Å; Y122-K176 HydrophobicContact CE1-CD 3.94Å; Y122-K176 HydrophobicContact CE1-CG 3.83Å; Y122-K176 VanDerWaalsContact CE2-CA 3.49Å; Y122-K176 HydrophobicContact CE2-CB 3.63Å; Y122-K176 HydrophobicContact CE2-CG 4.06Å; Y122-K176 HydrophobicContact CG-CB 3.98Å; G174-K176 PolarHBondContact O-N 2.81Å
177D98.5Very high97.9Very high89 Ų8933 Ų3348%0.47619%0.188SC..EExtended strand (participates in β ladder)trans-110.4130.5171-56.4-59.9000109.3N114 G119 T120N114-D177 PolarHBondContact ND2-O 2.87Å; N114-D177 PolarHBondContact OD1-O 2.82Å; G119-D177 CarbonylContact C-O 3.53Å; G119-D177 WeakPolarHBondContact CA-O 3.4Å; T120-D177 HydrophobicContact CG2-CB 4.26Å; T120-D177 PolarHBondContact N-O 2.94Å; T120-D177 PolarHBondContact O-N 3.3Å; T120-D177 VanDerWaalsContact OG1-CB 3.28Å; T120-D177 WeakPolarHBondContact OG1-CB 3.47Å; T120-D177 VanDerWaalsContact OG1-CG 3.26Å; T120-D177 PolarHBondContact OG1-N 2.96Å; T120-D177 VanDerWaalsContact OG1-N 3.07Å; T120-D177 PolarHBondContact OG1-OD2 3.23Å
178L98.7Very high97.8Very high63 Ų6333.1 Ų33.133%0.3319%0.189SC..PPolyproline II helixtrans-72.5132.7178.7-172.570.5000110.7N114 L182 V184 I193 I196N114-L178 WeakPolarHBondContact OD1-CA 3.16Å; L178-L182 HydrophobicContact CD1-CB 3.93Å; L178-L182 HydrophobicContact CD1-CD1 4.37Å; L178-L182 HydrophobicContact CD2-CB 4.42Å; L178-L182 WeakPolarHBondContact CD2-O 3.48Å; L178-L182 HydrophobicContact CG-CB 4.08Å; L178-V184 HydrophobicContact CD1-CG2 4.35Å; L178-V184 HydrophobicContact CD2-CG2 3.74Å; L178-I193 HydrophobicContact CB-CD1 4.29Å; L178-I193 HydrophobicContact CD1-CD1 4.37Å; L178-I196 HydrophobicContact CD1-CB 4.4Å; L178-I196 HydrophobicContact CD1-CG2 3.45Å; L178-I196 VanDerWaalsContact CD1-CG2 3.45Å
179G98.5Very high97.7Very high4 Ų437.5 Ų37.54%0.04122%0.217CC..PPolyproline II helixtrans-66.2157.8175.800000113.4N114 C117 L182N114-G179 PolarHBondContact OD1-N 2.9Å; C117-G179 CarbonylContact O-C 3.56Å; C117-G179 WeakPolarHBondContact O-CA 3.47Å; G179-L182 PolarHBondContact O-N 2.99Å
180A98Very high97.6Very high83 Ų8339.2 Ų39.269%0.68623%0.226SC*.THydrogen-bonded Turntrans-66.1137.9-175.900000112.2C117 L182C117-A180 PolarHBondContact O-N 3.24Å; A180-L182 PolarHBondContact O-N 3.29Å
181G97.7Very high97.7Very high57 Ų5737.2 Ų37.259%0.58823%0.232SC*.THydrogen-bonded Turntrans77.6-9.5179.500000114.4L198 P199G181-L198 WeakPolarHBondContact O-CD1 3.39Å; G181-P199 WeakPolarHBondContact O-CD 3.15Å
182L98.6Very high97.8Very high16 Ų1637 Ų378%0.08423%0.231CC..  trans-78.9151.8174.8-62.9169.3000111L113 C117 L178 G179 A180 I196 S197 L198L113-L182 HydrophobicContact CD2-CD2 4.49Å; L113-L182 HydrophobicContact CG-CD2 4.33Å; C117-L182 HydrophobicContact CB-CD1 3.62Å; C117-L182 HydrophobicContact CB-CG 3.98Å; L178-L182 HydrophobicContact CD1-CB 3.93Å; L178-L182 HydrophobicContact CD1-CD1 4.37Å; L178-L182 HydrophobicContact CD2-CB 4.42Å; L178-L182 WeakPolarHBondContact CD2-O 3.48Å; L178-L182 HydrophobicContact CG-CB 4.08Å; G179-L182 PolarHBondContact O-N 2.99Å; A180-L182 PolarHBondContact O-N 3.29Å; L182-I196 HydrophobicContact CD1-CD1 3.76Å; L182-I196 HydrophobicContact CD2-CD1 4.36Å; L182-S197 CarbonylContact C-O 3.55Å; L182-S197 WeakPolarHBondContact CA-O 3.38Å; L182-L198 HydrophobicContact CD2-CB 4.31Å; L182-L198 HydrophobicContact CD2-CD1 4.47Å
183E98.5Very high98Very high82 Ų8236.6 Ų36.638%0.38323%0.229SC..EExtended strand (participates in β ladder)trans-119.7144.5173.7-173.4175152.300109.9I196 S197 P199E183-I196 CarbonylContact O-C 3.59Å; E183-I196 WeakPolarHBondContact O-CA 3.38Å; E183-S197 PolarHBondContact N-O 2.84Å; E183-S197 PolarHBondContact O-N 2.83Å; E183-P199 HydrophobicContact CB-CG 3.69Å; E183-P199 VanDerWaalsContact OE2-CG 3.31Å; E183-P199 WeakPolarHBondContact OE2-CG 3.29Å
184V98.7Very high98Very high29 Ų2936.5 Ų36.518%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-81.5126177.41800000109.9L178 I187 I193L178-V184 HydrophobicContact CD1-CG2 4.35Å; L178-V184 HydrophobicContact CD2-CG2 3.74Å; V184-I187 HydrophobicContact CG1-CD1 3.72Å; V184-I187 HydrophobicContact CG1-CG1 3.32Å; V184-I193 HydrophobicContact CG1-CG1 4.29Å; V184-I193 HydrophobicContact CG1-CG2 4.19Å; V184-I193 HydrophobicContact CG2-CD1 3.81Å; V184-I193 HydrophobicContact CG2-CG1 4.05Å; V184-I193 HydrophobicContact CG2-CG2 4.3Å
185T98.5Very high98.1Very high0 Ų036.5 Ų36.50%023%0.229CC..EExtended strand (participates in β ladder)trans-115.7-13.3-178.957.40000113.6L150 P151 L155 L156 G195 I196 S197L150-T185 WeakPolarHBondContact CD2-O 3.39Å; P151-T185 VanDerWaalsContact CD-O 3.31Å; P151-T185 WeakPolarHBondContact CD-O 3.44Å; L155-T185 HydrophobicContact CB-CG2 4.04Å; L156-T185 WeakPolarHBondContact CD1-OG1 3.28Å; T185-G195 PolarHBondContact N-O 3.42Å; T185-G195 PolarHBondContact OG1-O 3.1Å; T185-I196 PolarHBondContact OG1-N 2.66Å; T185-I196 VanDerWaalsContact OG1-N 3.16Å; T185-S197 WeakPolarHBondContact CG2-OG 3.24Å
186A98.7Very high98.1Very high0 Ų036.3 Ų36.30%023%0.228CC..EExtended strand (participates in β ladder)trans-149.9138169.700000111.7V148 D149 L150 L156 E194 G195 W209V148-A186 HydrophobicContact CB-CB 4.17Å; V148-A186 HydrophobicContact CG2-CB 4.01Å; D149-A186 WeakPolarHBondContact O-CA 3.1Å; L150-A186 HydrophobicContact CD2-CB 3.71Å; L156-A186 HydrophobicContact CD1-CB 3.93Å; A186-E194 PolarHBondContact O-N 2.63Å; A186-G195 PolarHBondContact N-O 2.85Å; A186-G195 PolarHBondContact O-N 3.07Å; A186-G195 VanDerWaalsContact O-N 3.07Å; A186-W209 HydrophobicContact CB-CH2 4.33Å; A186-W209 HydrophobicContact CB-CZ3 3.94Å
187I98.5Very high98.1Very high57 Ų5733.1 Ų33.129%0.29222%0.215SC..EExtended strand (participates in β ladder)trans-131.7127.5178.4-55.4172.3000108.5V148 D149 P151 V184 L192V148-I187 CarbonylContact C-O 3.5Å; V148-I187 VanDerWaalsContact CA-O 3.29Å; V148-I187 WeakPolarHBondContact CA-O 3.5Å; D149-I187 PolarHBondContact N-O 3.38Å; D149-I187 PolarHBondContact O-N 3.02Å; P151-I187 HydrophobicContact CG-CD1 4.47Å; V184-I187 HydrophobicContact CG1-CD1 3.72Å; V184-I187 HydrophobicContact CG1-CG1 3.32Å; I187-L192 CarbonylContact C-O 3.58Å; I187-L192 WeakPolarHBondContact CA-O 3.15Å
188S97.7Very high98.1Very high3 Ų331 Ų312%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-71.2160.8173.251.40000112.4D190 G191 L192 E194S188-D190 VanDerWaalsContact CB-OD1 3.31Å; S188-D190 WeakPolarHBondContact CB-OD1 3.11Å; S188-D190 PolarHBondContact O-N 3.02Å; S188-D190 PolarHBondContact OG-OD1 3.39Å; S188-G191 PolarHBondContact O-N 3.1Å; S188-L192 PolarHBondContact N-O 2.66Å; S188-L192 WeakPolarHBondContact OG-CA 3.43Å; S188-L192 VanDerWaalsContact OG-CB 3.24Å; S188-L192 WeakPolarHBondContact OG-CB 3.49Å; S188-L192 PolarHBondContact OG-N 3.02Å; S188-L192 VanDerWaalsContact OG-N 3.14Å; S188-L192 PolarHBondContact OG-O 3.18Å; S188-L192 VanDerWaalsContact OG-O 3.07Å; S188-E194 WeakPolarHBondContact CB-OE1 3.42Å
189T94.8Very high97.8Very high93 Ų9331.3 Ų31.357%0.57121%0.209SC*.THydrogen-bonded Turntrans-64.2-11.8-177.356.90000115.2I133I133-T189 VanDerWaalsContact CD1-OG1 3.29Å; I133-T189 WeakPolarHBondContact CD1-OG1 3.23Å
190D96.3Very high97.3Very high36 Ų3635.2 Ų35.219%0.19325%0.25CC..THydrogen-bonded Turntrans-92.2-1.2171.765-3.8000113.2Y129 S131 I133 H135 S188 L192Y129-D190 HydrophobicContact CE1-CB 4.39Å; Y129-D190 PolarHBondContact OH-O 3.41Å; S131-D190 WeakPolarHBondContact CB-OD2 3.16Å; S131-D190 WeakPolarHBondContact OG-CB 3.39Å; S131-D190 PolarHBondContact OG-OD2 3Å; I133-D190 HydrophobicContact CD1-CB 3.74Å; I133-D190 HydrophobicContact CG1-CB 4.21Å; H135-D190 IonicContact CD2-OD2 3.03Å; H135-D190 IonicContact CE1-OD2 2.78Å; H135-D190 IonicContact NE2-OD1 3.22Å; H135-D190 IonicContact NE2-OD2 3.84Å; H135-D190 PolarHBondContact NE2-OD2 3.23Å; S188-D190 VanDerWaalsContact CB-OD1 3.31Å; S188-D190 WeakPolarHBondContact CB-OD1 3.11Å; S188-D190 PolarHBondContact O-N 3.02Å; S188-D190 PolarHBondContact OG-OD1 3.39Å; D190-L192 PolarHBondContact OD1-N 3.29Å
191G97Very high97Very high45 Ų4532.5 Ų32.546%0.46423%0.227SC..SBendtrans94.93.1177.200000115.7Y129 S188Y129-G191 VanDerWaalsContact OH-C 3.24Å; S188-G191 PolarHBondContact O-N 3.1Å
192L98.3Very high96.5Very high3 Ų333.6 Ų33.62%0.01622%0.216CC..  trans-73.9136.7178.5-171.570.4000110.3Y122 L125 Y129 I187 S188 D190 E194Y122-L192 HydrophobicContact CD2-CD1 4.24Å; Y122-L192 HydrophobicContact CE2-CD1 4.23Å; L125-L192 HydrophobicContact CD1-CD2 3.68Å; L125-L192 HydrophobicContact CD2-CD1 3.75Å; L125-L192 HydrophobicContact CD2-CD2 4Å; Y129-L192 HydrophobicContact CE1-CB 4.03Å; Y129-L192 HydrophobicContact CE1-CD1 4.39Å; Y129-L192 HydrophobicContact CE2-CD1 4.44Å; Y129-L192 PolarHBondContact OH-N 3.35Å; Y129-L192 VanDerWaalsContact OH-N 3.17Å; I187-L192 CarbonylContact C-O 3.58Å; I187-L192 WeakPolarHBondContact CA-O 3.15Å; S188-L192 PolarHBondContact N-O 2.66Å; S188-L192 WeakPolarHBondContact OG-CA 3.43Å; S188-L192 VanDerWaalsContact OG-CB 3.24Å; S188-L192 WeakPolarHBondContact OG-CB 3.49Å; S188-L192 PolarHBondContact OG-N 3.02Å; S188-L192 VanDerWaalsContact OG-N 3.14Å; S188-L192 PolarHBondContact OG-O 3.18Å; S188-L192 VanDerWaalsContact OG-O 3.07Å; D190-L192 PolarHBondContact OD1-N 3.29Å; L192-E194 PolarHBondContact O-N 3.14Å
193I98.7Very high96.3Very high29 Ų2933 Ų3315%0.14921%0.212CC..EExtended strand (participates in β ladder)trans-73.3120.9173.2-64.8169.4000108.1I175 L178 V184 I196I175-I193 HydrophobicContact CB-CB 4.16Å; I175-I193 HydrophobicContact CB-CG2 4.37Å; I175-I193 HydrophobicContact CD1-CG2 3.92Å; I175-I193 HydrophobicContact CG2-CB 4.17Å; I175-I193 HydrophobicContact CG2-CD1 4Å; I175-I193 HydrophobicContact CG2-CG2 4.34Å; L178-I193 HydrophobicContact CB-CD1 4.29Å; L178-I193 HydrophobicContact CD1-CD1 4.37Å; V184-I193 HydrophobicContact CG1-CG1 4.29Å; V184-I193 HydrophobicContact CG1-CG2 4.19Å; V184-I193 HydrophobicContact CG2-CD1 3.81Å; V184-I193 HydrophobicContact CG2-CG1 4.05Å; V184-I193 HydrophobicContact CG2-CG2 4.3Å; I193-I196 HydrophobicContact CG2-CG2 3.52Å
194E98.7Very high96.2Very high0 Ų029.2 Ų29.20%020%0.195CC..EExtended strand (participates in β ladder)trans-120.5-3.7-179.9-74.9-161.2-14500113.6H135 H146 V148 A186 S188 L192 V207 Q208 W209H135-E194 IonicContact CE1-OE1 3.76Å; H135-E194 PolarHBondContact CE1-OE1 3.49Å; H135-E194 VanDerWaalsContact CE1-OE1 3.32Å; H135-E194 IonicContact ND1-OE1 3.67Å; H146-E194 IonicContact CD2-OE1 3.46Å; H146-E194 IonicContact CE1-OE1 2.72Å; H146-E194 PolarHBondContact CE1-OE1 2.98Å; H146-E194 IonicContact NE2-OE1 3.75Å; H146-E194 PolarHBondContact NE2-OE1 3.08Å; H146-E194 IonicContact NE2-OE2 3.78Å; H146-E194 PolarHBondContact NE2-OE2 3.44Å; V148-E194 HydrophobicContact CG1-CB 4.07Å; V148-E194 HydrophobicContact CG1-CG 4.4Å; A186-E194 PolarHBondContact O-N 2.63Å; S188-E194 WeakPolarHBondContact CB-OE1 3.42Å; L192-E194 PolarHBondContact O-N 3.14Å; E194-V207 CarbonylContact O-C 3.5Å; E194-V207 WeakPolarHBondContact O-CA 3.32Å; E194-Q208 HydrophobicContact CB-CB 3.9Å; E194-Q208 HydrophobicContact CG-CB 4Å; E194-Q208 HydrophobicContact CG-CG 4.22Å; E194-Q208 WeakPolarHBondContact O-CB 3.5Å; E194-Q208 PolarHBondContact O-N 3.35Å; E194-W209 WeakPolarHBondContact O-CZ3 3.32Å
195G98.8Very high96.2Very high0 Ų027.8 Ų27.80%019%0.186CC..EExtended strand (participates in β ladder)trans-147.9136.8174.400000110.4T185 A186 G206T185-G195 PolarHBondContact N-O 3.42Å; T185-G195 PolarHBondContact OG1-O 3.1Å; A186-G195 PolarHBondContact N-O 2.85Å; A186-G195 PolarHBondContact O-N 3.07Å; A186-G195 VanDerWaalsContact O-N 3.07Å; G195-G206 CarbonylContact C-O 3.57Å; G195-G206 VanDerWaalsContact CA-O 3.27Å; G195-G206 WeakPolarHBondContact CA-O 3.34Å
196I98.9Very high96.3Very high0 Ų027.8 Ų27.80%019%0.186CC..EExtended strand (participates in β ladder)trans-137.8153175.257.5167.5000110.9V110 L113 N114 I175 L178 L182 E183 T185 I193 G206V110-I196 HydrophobicContact CG2-CD1 3.65Å; V110-I196 HydrophobicContact CG2-CG1 3.37Å; L113-I196 HydrophobicContact CB-CD1 4.39Å; L113-I196 HydrophobicContact CD2-CD1 3.9Å; L113-I196 HydrophobicContact CD2-CG1 4.27Å; L113-I196 HydrophobicContact CG-CD1 4.02Å; N114-I196 HydrophobicContact CB-CD1 4.13Å; I175-I196 HydrophobicContact CD1-CD1 4.05Å; I175-I196 HydrophobicContact CD1-CG1 4.39Å; I175-I196 HydrophobicContact CD1-CG2 3.88Å; L178-I196 HydrophobicContact CD1-CB 4.4Å; L178-I196 HydrophobicContact CD1-CG2 3.45Å; L178-I196 VanDerWaalsContact CD1-CG2 3.45Å; L182-I196 HydrophobicContact CD1-CD1 3.76Å; L182-I196 HydrophobicContact CD2-CD1 4.36Å; E183-I196 CarbonylContact O-C 3.59Å; E183-I196 WeakPolarHBondContact O-CA 3.38Å; T185-I196 PolarHBondContact OG1-N 2.66Å; T185-I196 VanDerWaalsContact OG1-N 3.16Å; I193-I196 HydrophobicContact CG2-CG2 3.52Å; I196-G206 PolarHBondContact N-O 3.02Å; I196-G206 PolarHBondContact O-N 3.49Å
197S98.5Very high96.3Very high6 Ų627.8 Ų27.84%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-135.8165.3170.956.90000111.3L182 E183 T185 P199 V204L182-S197 CarbonylContact C-O 3.55Å; L182-S197 WeakPolarHBondContact CA-O 3.38Å; E183-S197 PolarHBondContact N-O 2.84Å; E183-S197 PolarHBondContact O-N 2.83Å; T185-S197 WeakPolarHBondContact CG2-OG 3.24Å; S197-P199 WeakPolarHBondContact O-CD 3.41Å; S197-V204 WeakPolarHBondContact CA-O 3.27Å; S197-V204 VanDerWaalsContact CB-O 3.22Å; S197-V204 WeakPolarHBondContact CB-O 3.31Å
198L97.7Very high96.3Very high45 Ų4525.1 Ų25.124%0.23617%0.173CC..  trans-104.3105.6167.6-178.166.1000109.2M97 G181 L182 A201 V204M97-L198 HydrophobicContact CE-CD2 3.76Å; G181-L198 WeakPolarHBondContact O-CD1 3.39Å; L182-L198 HydrophobicContact CD2-CB 4.31Å; L182-L198 HydrophobicContact CD2-CD1 4.47Å; L198-A201 HydrophobicContact CB-CB 4.42Å; L198-A201 HydrophobicContact CD2-CB 4.17Å; L198-A201 HydrophobicContact CG-CB 4.35Å; L198-A201 PolarHBondContact O-N 3.04Å; L198-V204 HydrophobicContact CB-CB 3.8Å; L198-V204 HydrophobicContact CB-CG1 3.82Å; L198-V204 HydrophobicContact CB-CG2 4.35Å; L198-V204 HydrophobicContact CD2-CG2 4.5Å; L198-V204 PolarHBondContact N-O 3.07Å
199P93.3Very high96.3Very high69 Ų6925.7 Ų25.745%0.44817%0.174SC..THydrogen-bonded Turntrans-58.3140.9176.3-2436000112G181 E183 S197 A201G181-P199 WeakPolarHBondContact O-CD 3.15Å; E183-P199 HydrophobicContact CB-CG 3.69Å; E183-P199 VanDerWaalsContact OE2-CG 3.31Å; E183-P199 WeakPolarHBondContact OE2-CG 3.29Å; S197-P199 WeakPolarHBondContact O-CD 3.41Å; P199-A201 VanDerWaalsContact C-N 3.3Å; P199-A201 PolarHBondContact O-N 3.39Å
200G88.1Confident96.5Very high87 Ų8721.7 Ų21.790%0.89715%0.149SC*.THydrogen-bonded Turntrans84.2-10.5178.400000115.6
201A91.5Very high96.6Very high26 Ų2620 Ų2022%0.21514%0.14CC..SBendtrans-78.9152.2169.200000111.2D100 L198 P199 F203 V204D100-A201 VanDerWaalsContact OD1-CA 3.28Å; D100-A201 WeakPolarHBondContact OD1-CA 3.37Å; L198-A201 HydrophobicContact CB-CB 4.42Å; L198-A201 HydrophobicContact CD2-CB 4.17Å; L198-A201 HydrophobicContact CG-CB 4.35Å; L198-A201 PolarHBondContact O-N 3.04Å; P199-A201 VanDerWaalsContact C-N 3.3Å; P199-A201 PolarHBondContact O-N 3.39Å; A201-F203 VanDerWaalsContact C-N 3.27Å; A201-F203 PolarHBondContact O-N 3.38Å; A201-V204 HydrophobicContact CB-CB 4.24Å; A201-V204 HydrophobicContact CB-CG2 3.64Å
202K86.6Confident96.7Very high79 Ų7918.1 Ų18.134%0.34312%0.119SC..SBendtrans-51.4-46.9176.1-87.6176178.1-169.20112.2D100 D234D100-K202 WeakPolarHBondContact O-CD 3.27Å; D100-K202 PolarHBondContact OD1-N 2.79Å; D100-K202 WeakPolarHBondContact OD2-CG 3.26Å; K202-D234 IonicContact NZ-OD1 3.84Å; K202-D234 PolarHBondContact NZ-OD1 2.92Å
203F93.9Very high96.6Very high4 Ų420.4 Ų20.42%0.01813%0.129CC..SBendtrans-166.2112.7168.3-174.4-88.1000110.5P102 L103 L104 L159 A201 L205 L224 A227 F228 A231P102-F203 CarbonylContact C-O 3.59Å; P102-F203 VanDerWaalsContact CA-O 3.27Å; P102-F203 WeakPolarHBondContact CA-O 3.37Å; P102-F203 HydrophobicContact CB-CB 4.25Å; L103-F203 PolarHBondContact N-O 3.09Å; L104-F203 HydrophobicContact CB-CE1 4.45Å; L159-F203 HydrophobicContact CD1-CE2 4.4Å; A201-F203 VanDerWaalsContact C-N 3.27Å; A201-F203 PolarHBondContact O-N 3.38Å; F203-L205 HydrophobicContact CE1-CB 3.84Å; F203-L205 HydrophobicContact CZ-CB 3.83Å; F203-L205 HydrophobicContact CZ-CD2 3.87Å; F203-L224 HydrophobicContact CZ-CD1 4.27Å; F203-A227 HydrophobicContact CD2-CB 4.21Å; F203-A227 HydrophobicContact CE2-CB 3.65Å; F203-A227 HydrophobicContact CZ-CB 4.48Å; F203-F228 HydrophobicContact CD1-CB 4.13Å; F203-F228 AromaticContact CD1-CD2 3.72Å; F203-F228 HydrophobicContact CD1-CD2 3.72Å; F203-F228 HydrophobicContact CD1-CG 4.4Å; F203-F228 HydrophobicContact CE1-CB 3.59Å; F203-F228 AromaticContact CE1-CD2 3.71Å; F203-F228 HydrophobicContact CE1-CD2 3.71Å; F203-F228 HydrophobicContact CE1-CG 4.03Å; F203-F228 HydrophobicContact CZ-CB 3.8Å; F203-A231 HydrophobicContact CB-CB 3.29Å; F203-A231 HydrophobicContact CG-CB 4.1Å
204V98.3Very high96.6Very high2 Ų220.9 Ų20.91%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-135.2112.6168.6174.20000107.1L103 L113 S197 L198 A201L103-V204 HydrophobicContact CB-CG1 4.45Å; L103-V204 HydrophobicContact CB-CG2 4.12Å; L103-V204 HydrophobicContact CD2-CG1 4.49Å; L103-V204 WeakPolarHBondContact O-CA 3.27Å; L113-V204 HydrophobicContact CD1-CG1 4.2Å; L113-V204 HydrophobicContact CD2-CG1 3.89Å; S197-V204 WeakPolarHBondContact CA-O 3.27Å; S197-V204 VanDerWaalsContact CB-O 3.22Å; S197-V204 WeakPolarHBondContact CB-O 3.31Å; L198-V204 HydrophobicContact CB-CB 3.8Å; L198-V204 HydrophobicContact CB-CG1 3.82Å; L198-V204 HydrophobicContact CB-CG2 4.35Å; L198-V204 HydrophobicContact CD2-CG2 4.5Å; L198-V204 PolarHBondContact N-O 3.07Å; A201-V204 HydrophobicContact CB-CB 4.24Å; A201-V204 HydrophobicContact CB-CG2 3.64Å
205L98.7Very high96.5Very high0 Ų025.9 Ų25.90%016%0.157CC..EExtended strand (participates in β ladder)trans-136.8132-178.4177.166.4000109.6L103 L104 A105 L155 L156 F203 V207 L224L103-L205 PolarHBondContact O-N 3.43Å; L104-L205 CarbonylContact C-O 3.48Å; L104-L205 WeakPolarHBondContact CA-O 3.34Å; L104-L205 HydrophobicContact CD1-CB 4.45Å; L104-L205 HydrophobicContact CD1-CD2 4.37Å; L104-L205 HydrophobicContact CD1-CG 4.43Å; A105-L205 PolarHBondContact N-O 3.34Å; L155-L205 HydrophobicContact CD2-CB 4.1Å; L155-L205 HydrophobicContact CD2-CD1 4.19Å; L156-L205 HydrophobicContact CD1-CD1 4.23Å; L156-L205 HydrophobicContact CD2-CD1 4.22Å; L156-L205 HydrophobicContact CD2-CD2 3.83Å; L156-L205 HydrophobicContact CG-CD1 3.85Å; L156-L205 HydrophobicContact CG-CD2 4.36Å; F203-L205 HydrophobicContact CE1-CB 3.84Å; F203-L205 HydrophobicContact CZ-CB 3.83Å; F203-L205 HydrophobicContact CZ-CD2 3.87Å; L205-V207 HydrophobicContact CD1-CG1 4.46Å; L205-V207 HydrophobicContact CD2-CG1 4.5Å; L205-V207 HydrophobicContact CG-CG1 4.29Å; L205-L224 HydrophobicContact CD2-CD1 3.41Å; L205-L224 VanDerWaalsContact CD2-CD1 3.41Å
206G98.8Very high96.3Very high0 Ų026.1 Ų26.10%016%0.159CC..EExtended strand (participates in β ladder)trans-118.6137.6170.500000111.3A105 V110 G195 I196A105-G206 CarbonylContact O-C 3.56Å; A105-G206 WeakPolarHBondContact O-CA 3.46Å; V110-G206 VanDerWaalsContact CG2-C 3.49Å; G195-G206 CarbonylContact C-O 3.57Å; G195-G206 VanDerWaalsContact CA-O 3.27Å; G195-G206 WeakPolarHBondContact CA-O 3.34Å; I196-G206 PolarHBondContact N-O 3.02Å; I196-G206 PolarHBondContact O-N 3.49Å
207V98.9Very high95.9Very high0 Ų028.8 Ų28.80%018%0.181CC..EExtended strand (participates in β ladder)trans-131139.4176.7-61.20000110.4A105 I106 C107 V110 L156 E194 L205 W209 P211A105-V207 PolarHBondContact O-N 3.12Å; I106-V207 CarbonylContact C-O 3.58Å; I106-V207 WeakPolarHBondContact CA-O 3.29Å; I106-V207 HydrophobicContact CG1-CG2 4.06Å; C107-V207 PolarHBondContact N-O 3.34Å; V110-V207 VanDerWaalsContact CG1-O 3.25Å; V110-V207 WeakPolarHBondContact CG1-O 3.39Å; L156-V207 HydrophobicContact CD1-CG1 4.26Å; L156-V207 HydrophobicContact CD2-CG1 4.5Å; E194-V207 CarbonylContact O-C 3.5Å; E194-V207 WeakPolarHBondContact O-CA 3.32Å; L205-V207 HydrophobicContact CD1-CG1 4.46Å; L205-V207 HydrophobicContact CD2-CG1 4.5Å; L205-V207 HydrophobicContact CG-CG1 4.29Å; V207-W209 HydrophobicContact CB-CD2 3.92Å; V207-W209 HydrophobicContact CB-CE3 3.88Å; V207-W209 HydrophobicContact CB-CH2 3.74Å; V207-W209 HydrophobicContact CB-CZ2 3.79Å; V207-W209 HydrophobicContact CB-CZ3 3.78Å; V207-W209 HydrophobicContact CG1-CE3 4.46Å; V207-W209 HydrophobicContact CG1-CH2 3.4Å; V207-W209 HydrophobicContact CG1-CZ2 3.53Å; V207-W209 HydrophobicContact CG1-CZ3 3.89Å; V207-W209 HydrophobicContact CG2-CD2 4.42Å; V207-W209 HydrophobicContact CG2-CZ2 4.41Å; V207-P211 HydrophobicContact CG2-CG 3.87Å
208Q98.8Very high95.7Very high1 Ų130.4 Ų30.41%0.00519%0.19CC..SBendtrans-83.1-30.8-175.7-178.358.584.400112.4V110 Q111 H171 E194V110-Q208 HydrophobicContact CG1-CB 4.32Å; Q111-Q208 VanDerWaalsContact NE2-OE1 3.07Å; H171-Q208 VanDerWaalsContact CE1-CG 3.48Å; H171-Q208 WeakPolarHBondContact CE1-CG 3.13Å; H171-Q208 VanDerWaalsContact CG-NE2 3.33Å; H171-Q208 VanDerWaalsContact NE2-CG 3.33Å; H171-Q208 WeakPolarHBondContact NE2-CG 3.46Å; E194-Q208 HydrophobicContact CB-CB 3.9Å; E194-Q208 HydrophobicContact CG-CB 4Å; E194-Q208 HydrophobicContact CG-CG 4.22Å; E194-Q208 WeakPolarHBondContact O-CB 3.5Å; E194-Q208 PolarHBondContact O-N 3.35Å
209W98.5Very high95.4Very high14 Ų1432.7 Ų32.75%0.05321%0.206CC..SBendtrans-73.9178.9172.772.491.8000111.3L156 L165 V167 N168 A186 E194 V207 P211L156-W209 HydrophobicContact CD1-CH2 3.65Å; L156-W209 HydrophobicContact CD1-CZ3 4.44Å; L156-W209 HydrophobicContact CD2-CH2 4.45Å; L165-W209 HydrophobicContact CD2-CH2 4.01Å; L165-W209 HydrophobicContact CD2-CZ2 3.6Å; V167-W209 HydrophobicContact CB-CB 3.7Å; V167-W209 HydrophobicContact CB-CD2 4.01Å; V167-W209 HydrophobicContact CB-CE3 4.35Å; V167-W209 HydrophobicContact CB-CG 3.73Å; V167-W209 HydrophobicContact CG1-CB 4.21Å; V167-W209 HydrophobicContact CG1-CD2 3.48Å; V167-W209 VanDerWaalsContact CG1-CD2 3.48Å; V167-W209 HydrophobicContact CG1-CE3 3.72Å; V167-W209 HydrophobicContact CG1-CG 3.71Å; V167-W209 HydrophobicContact CG1-CZ2 4.4Å; V167-W209 HydrophobicContact CG1-CZ3 4.28Å; V167-W209 HydrophobicContact CG2-CB 4.34Å; N168-W209 WeakPolarHBondContact O-CB 3.27Å; N168-W209 WeakPolarHBondContact OD1-CB 3.22Å; A186-W209 HydrophobicContact CB-CH2 4.33Å; A186-W209 HydrophobicContact CB-CZ3 3.94Å; E194-W209 WeakPolarHBondContact O-CZ3 3.32Å; V207-W209 HydrophobicContact CB-CD2 3.92Å; V207-W209 HydrophobicContact CB-CE3 3.88Å; V207-W209 HydrophobicContact CB-CH2 3.74Å; V207-W209 HydrophobicContact CB-CZ2 3.79Å; V207-W209 HydrophobicContact CB-CZ3 3.78Å; V207-W209 HydrophobicContact CG1-CE3 4.46Å; V207-W209 HydrophobicContact CG1-CH2 3.4Å; V207-W209 HydrophobicContact CG1-CZ2 3.53Å; V207-W209 HydrophobicContact CG1-CZ3 3.89Å; V207-W209 HydrophobicContact CG2-CD2 4.42Å; V207-W209 HydrophobicContact CG2-CZ2 4.41Å; W209-P211 VanDerWaalsContact O-CD 3.25Å; W209-P211 WeakPolarHBondContact O-CD 3.31Å
210H98.4Very high95.4Very high9 Ų932.1 Ų32.14%0.04220%0.197CC..  trans-118.685-172.3-73.6-90.6000111.1C107 N168 Y170 E212 F213C107-H210 WeakPolarHBondContact CB-CE1 3.45Å; C107-H210 VanDerWaalsContact CB-NE2 3.31Å; C107-H210 WeakPolarHBondContact CB-NE2 3.33Å; C107-H210 PolarHBondContact SG-NE2 2.79Å; N168-H210 PolarHBondContact ND2-O 2.79Å; N168-H210 PolarHBondContact OD1-N 3.35Å; N168-H210 PolarHBondContact OD1-O 3.36Å; Y170-H210 PolarHBondContact O-NE2 3.47Å; H210-E212 WeakPolarHBondContact CA-OE2 3.44Å; H210-E212 WeakPolarHBondContact CB-OE2 3.35Å; H210-E212 IonicContact CE1-OE1 3.32Å; H210-E212 IonicContact CG-OE1 2.66Å; H210-E212 IonicContact CG-OE2 3.85Å; H210-E212 IonicContact ND1-OE1 3.63Å; H210-E212 PolarHBondContact ND1-OE1 2.92Å; H210-E212 IonicContact ND1-OE2 3.88Å; H210-E212 PolarHBondContact O-N 3.43Å; H210-E212 VanDerWaalsContact O-N 3.12Å; H210-F213 HydrophobicContact CB-CD2 3.3Å; H210-F213 HydrophobicContact CB-CE2 3.65Å; H210-F213 HydrophobicContact CB-CG 4.27Å; H210-F213 AromaticContact CG-CD2 3.92Å; H210-F213 AromaticContact CG-CE2 3.72Å; H210-F213 AromaticContact ND1-CE2 3.96Å; H210-F213 PolarHBondContact O-N 3.38Å; H210-F213 VanDerWaalsContact O-N 3.17Å
211P98.4Very high95.8Very high0 Ų028.3 Ų28.30%016%0.156CC..G310 helixtrans-50.7-31.3174.7-2633.3000113.8L27 I106 V207 W209 F213 F214 N221 L224L27-P211 HydrophobicContact CD1-CB 4.07Å; I106-P211 HydrophobicContact CD1-CG 4.23Å; V207-P211 HydrophobicContact CG2-CG 3.87Å; W209-P211 VanDerWaalsContact O-CD 3.25Å; W209-P211 WeakPolarHBondContact O-CD 3.31Å; P211-F213 VanDerWaalsContact C-N 3.26Å; P211-F213 PolarHBondContact O-N 3.48Å; P211-F214 WeakPolarHBondContact O-CB 3.2Å; P211-F214 PolarHBondContact O-N 3.18Å; P211-F214 VanDerWaalsContact O-N 3.08Å; P211-N221 WeakPolarHBondContact CB-OD1 3.28Å; P211-N221 PolarHBondContact O-ND2 3.3Å; P211-L224 HydrophobicContact CB-CD2 4.21Å; P211-L224 HydrophobicContact CG-CD2 4.01Å
212E98.2Very high95.8Very high7 Ų731.4 Ų31.43%0.03317%0.167CC..G310 helixtrans-70.7-16.8-176.176-82.7-158.500114.1G23 Y24 L27 I106 H210G23-E212 VanDerWaalsContact CA-O 3.32Å; G23-E212 WeakPolarHBondContact CA-O 3.47Å; Y24-E212 HydrophobicContact CD1-CB 3.75Å; Y24-E212 HydrophobicContact CD1-CG 3.95Å; Y24-E212 HydrophobicContact CD2-CG 4.22Å; Y24-E212 HydrophobicContact CE1-CB 3.9Å; Y24-E212 HydrophobicContact CE1-CG 3.66Å; Y24-E212 WeakPolarHBondContact CE1-OE1 3.45Å; Y24-E212 HydrophobicContact CE2-CG 3.98Å; Y24-E212 HydrophobicContact CG-CB 4.11Å; Y24-E212 HydrophobicContact CG-CG 4.22Å; Y24-E212 PolarHBondContact OH-OE1 2.96Å; L27-E212 HydrophobicContact CD1-CB 3.77Å; I106-E212 WeakPolarHBondContact CG2-OE2 3.46Å; H210-E212 WeakPolarHBondContact CA-OE2 3.44Å; H210-E212 WeakPolarHBondContact CB-OE2 3.35Å; H210-E212 IonicContact CE1-OE1 3.32Å; H210-E212 IonicContact CG-OE1 2.66Å; H210-E212 IonicContact CG-OE2 3.85Å; H210-E212 IonicContact ND1-OE1 3.63Å; H210-E212 PolarHBondContact ND1-OE1 2.92Å; H210-E212 IonicContact ND1-OE2 3.88Å; H210-E212 PolarHBondContact O-N 3.43Å; H210-E212 VanDerWaalsContact O-N 3.12Å
213F97.9Very high95.9Very high51 Ų5129 Ų2922%0.22416%0.162CC..G310 helixtrans-82.4-20.7171-67.4-50.4000112.2L21 Y141 D142 N168 H210 P211L21-F213 HydrophobicContact CD1-CE1 3.86Å; L21-F213 HydrophobicContact CD1-CZ 3.99Å; Y141-F213 VanDerWaalsContact CB-CD2 3.5Å; Y141-F213 HydrophobicContact CD2-CD1 4.48Å; Y141-F213 HydrophobicContact CD2-CE1 4.11Å; Y141-F213 HydrophobicContact CD2-CE2 4.27Å; Y141-F213 HydrophobicContact CD2-CZ 4.01Å; Y141-F213 HydrophobicContact CG-CD2 4.24Å; Y141-F213 HydrophobicContact CG-CE2 4.17Å; Y141-F213 HydrophobicContact CG-CZ 4.38Å; D142-F213 WeakPolarHBondContact CB-O 3.18Å; N168-F213 WeakPolarHBondContact ND2-CB 3.44Å; H210-F213 HydrophobicContact CB-CD2 3.3Å; H210-F213 HydrophobicContact CB-CE2 3.65Å; H210-F213 HydrophobicContact CB-CG 4.27Å; H210-F213 AromaticContact CG-CD2 3.92Å; H210-F213 AromaticContact CG-CE2 3.72Å; H210-F213 AromaticContact ND1-CE2 3.96Å; H210-F213 PolarHBondContact O-N 3.38Å; H210-F213 VanDerWaalsContact O-N 3.17Å; P211-F213 VanDerWaalsContact C-N 3.26Å; P211-F213 PolarHBondContact O-N 3.48Å
214F97.4Very high96Very high39 Ų3929.2 Ų29.217%0.17116%0.163CC..SBendtrans-82.2161.7172.8-63.5-73.3000110.9D142 N168 P211 A216D142-F214 WeakPolarHBondContact O-CD1 3.48Å; D142-F214 WeakPolarHBondContact O-CE1 3.35Å; N168-F214 HydrophobicContact CB-CE2 3.94Å; N168-F214 HydrophobicContact CB-CZ 3.77Å; N168-F214 VanDerWaalsContact CG-CE2 3.44Å; P211-F214 WeakPolarHBondContact O-CB 3.2Å; P211-F214 PolarHBondContact O-N 3.18Å; P211-F214 VanDerWaalsContact O-N 3.08Å; F214-A216 PolarHBondContact O-N 3.13Å
215N96.4Very high95.7Very high105 Ų10529.1 Ų29.156%0.56116%0.162SC*.  trans-62.7135.1174.6-169.9-60.6000110.4A217 T218 N221N215-A217 PolarHBondContact O-N 3.1Å; N215-A217 WeakPolarHBondContact OD1-CB 3.34Å; N215-A217 PolarHBondContact OD1-N 3.49Å; N215-T218 HydrophobicContact CB-CG2 4.22Å; N215-T218 WeakPolarHBondContact O-CG2 3.24Å; N215-T218 PolarHBondContact O-N 3.12Å; N215-T218 VanDerWaalsContact O-N 3.1Å; N215-T218 PolarHBondContact O-OG1 3.41Å; N215-N221 PolarHBondContact O-ND2 2.84Å
216A95.2Very high95.2Very high5 Ų531.8 Ų31.84%0.04118%0.184CC..THydrogen-bonded Turntrans-61.9-22.6-179.900000113.6D26 L27 Q30 N31 F214D26-A216 HydrophobicContact CB-CB 4.39Å; L27-A216 HydrophobicContact CD2-CB 4.28Å; Q30-A216 HydrophobicContact CB-CB 4.09Å; Q30-A216 HydrophobicContact CG-CB 4.47Å; N31-A216 PolarHBondContact ND2-O 3.13Å; F214-A216 PolarHBondContact O-N 3.13Å
217A91.2Very high94.7Very high55 Ų5532.6 Ų32.646%0.45519%0.191SC..THydrogen-bonded Turntrans-91.510.5177.900000114.1N215N215-A217 PolarHBondContact O-N 3.1Å; N215-A217 WeakPolarHBondContact OD1-CB 3.34Å; N215-A217 PolarHBondContact OD1-N 3.49Å
218T93.6Very high94.4Very high40 Ų4032.7 Ų32.725%0.24519%0.191CC..SBendtrans-64.2146.6166.454.90000109.8N215 E220 N221 Q222N215-T218 HydrophobicContact CB-CG2 4.22Å; N215-T218 WeakPolarHBondContact O-CG2 3.24Å; N215-T218 PolarHBondContact O-N 3.12Å; N215-T218 VanDerWaalsContact O-N 3.1Å; N215-T218 PolarHBondContact O-OG1 3.41Å; T218-E220 PolarHBondContact O-N 2.86Å; T218-N221 PolarHBondContact O-N 2.8Å; T218-N221 VanDerWaalsContact O-N 3.14Å; T218-N221 VanDerWaalsContact OG1-CB 3.24Å; T218-N221 WeakPolarHBondContact OG1-CB 3.41Å; T218-N221 VanDerWaalsContact OG1-CG 3.28Å; T218-N221 PolarHBondContact OG1-N 2.79Å; T218-N221 PolarHBondContact OG1-ND2 3.12Å; T218-Q222 WeakPolarHBondContact O-CG 3.43Å; T218-Q222 PolarHBondContact O-N 3.42Å
219V91.2Very high94Very high94 Ų9433.1 Ų33.157%0.5719%0.194SC*.Hα-helixtrans-56.7-37.3-179.5174.30000110.7A223V219-A223 WeakPolarHBondContact O-CB 3.38Å; V219-A223 PolarHBondContact O-N 2.96Å
220E94.5Very high93.2Very high56 Ų5633.5 Ų33.526%0.26220%0.198SC..Hα-helixtrans-66.2-47.4178.7-60.874.1-16500112L160 R162 L165 T218 A223 L224L160-E220 HydrophobicContact CD2-CB 3.99Å; L160-E220 HydrophobicContact CD2-CG 4.19Å; R162-E220 IonicContact CZ-OE1 3.93Å; R162-E220 IonicContact NH1-OE1 2.67Å; R162-E220 PolarHBondContact NH1-OE1 2.79Å; R162-E220 IonicContact NH2-OE1 3.14Å; R162-E220 PolarHBondContact NH2-OE1 3.49Å; L165-E220 HydrophobicContact CD1-CG 3.75Å; T218-E220 PolarHBondContact O-N 2.86Å; E220-A223 PolarHBondContact O-N 2.71Å; E220-L224 VanDerWaalsContact O-CB 3.29Å; E220-L224 WeakPolarHBondContact O-CB 3.39Å; E220-L224 PolarHBondContact O-N 2.78Å
221N94.5Very high92.6Very high7 Ų733.2 Ų33.24%0.03720%0.198CC..Hα-helixtrans-68.1-38177.5-76.9-15.6000111.8L27 P211 N215 T218 L224 M225L27-N221 HydrophobicContact CD2-CB 3.78Å; P211-N221 WeakPolarHBondContact CB-OD1 3.28Å; P211-N221 PolarHBondContact O-ND2 3.3Å; N215-N221 PolarHBondContact O-ND2 2.84Å; T218-N221 PolarHBondContact O-N 2.8Å; T218-N221 VanDerWaalsContact O-N 3.14Å; T218-N221 VanDerWaalsContact OG1-CB 3.24Å; T218-N221 WeakPolarHBondContact OG1-CB 3.41Å; T218-N221 VanDerWaalsContact OG1-CG 3.28Å; T218-N221 PolarHBondContact OG1-N 2.79Å; T218-N221 PolarHBondContact OG1-ND2 3.12Å; N221-L224 PolarHBondContact O-N 3.11Å; N221-M225 VanDerWaalsContact O-CB 3.27Å; N221-M225 WeakPolarHBondContact O-CB 3.4Å; N221-M225 WeakPolarHBondContact O-CG 3.24Å; N221-M225 PolarHBondContact O-N 2.57Å
222Q92.1Very high91.4Very high92 Ų9236.2 Ų36.243%0.4321%0.21SC..Hα-helixtrans-63.2-45.5176.2-72.2-175.9-40.500111.7T218 A226T218-Q222 WeakPolarHBondContact O-CG 3.43Å; T218-Q222 PolarHBondContact O-N 3.42Å; Q222-A226 WeakPolarHBondContact O-CB 3.5Å; Q222-A226 PolarHBondContact O-N 3.06Å
223A89Confident90Very high29 Ų2938 Ų3824%0.2422%0.218CC..Hα-helixtrans-62.5-44.517600000111.7L159 L160 V219 E220 A227L159-A223 HydrophobicContact CD2-CB 3.72Å; L159-A223 HydrophobicContact CG-CB 4.32Å; L160-A223 HydrophobicContact CD2-CB 4.2Å; V219-A223 WeakPolarHBondContact O-CB 3.38Å; V219-A223 PolarHBondContact O-N 2.96Å; E220-A223 PolarHBondContact O-N 2.71Å; A223-A227 PolarHBondContact O-N 2.81Å; A223-A227 VanDerWaalsContact O-N 3.09Å
224L95.1Very high88.7Confident7 Ų738 Ų384%0.03722%0.219CC..Hα-helixtrans-60.4-51.5178.9173.861000111.2L104 L159 F203 L205 P211 E220 N221 A227 F228L104-L224 HydrophobicContact CD1-CD1 4.01Å; L104-L224 HydrophobicContact CD2-CD2 4.4Å; L104-L224 HydrophobicContact CD2-CG 4.44Å; L159-L224 HydrophobicContact CD2-CB 4.42Å; F203-L224 HydrophobicContact CZ-CD1 4.27Å; L205-L224 HydrophobicContact CD2-CD1 3.41Å; L205-L224 VanDerWaalsContact CD2-CD1 3.41Å; P211-L224 HydrophobicContact CB-CD2 4.21Å; P211-L224 HydrophobicContact CG-CD2 4.01Å; E220-L224 VanDerWaalsContact O-CB 3.29Å; E220-L224 WeakPolarHBondContact O-CB 3.39Å; E220-L224 PolarHBondContact O-N 2.78Å; N221-L224 PolarHBondContact O-N 3.11Å; L224-A227 PolarHBondContact O-N 2.99Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 PolarHBondContact O-N 3.1Å
225M93.7Very high87.6Confident0 Ų037.9 Ų37.90%022%0.224CC..Hα-helixtrans-71.6-36.6-177-66-53-65.300111.5L27 I28 N31 L104 N221 A227 F228 L229L27-M225 HydrophobicContact CB-CE 4.21Å; L27-M225 HydrophobicContact CB-CG 4.35Å; L27-M225 HydrophobicContact CB-SD 4.18Å; L27-M225 HydrophobicContact CD2-CG 4.11Å; L27-M225 WeakPolarHBondContact O-CE 3.21Å; I28-M225 HydrophobicContact CB-CE 4.47Å; I28-M225 HydrophobicContact CG1-CE 3.78Å; N31-M225 HydrophobicContact CB-CB 3.6Å; N31-M225 HydrophobicContact CB-CG 4.36Å; L104-M225 HydrophobicContact CD2-SD 3.98Å; N221-M225 VanDerWaalsContact O-CB 3.27Å; N221-M225 WeakPolarHBondContact O-CB 3.4Å; N221-M225 WeakPolarHBondContact O-CG 3.24Å; N221-M225 PolarHBondContact O-N 2.57Å; M225-A227 VanDerWaalsContact C-N 3.33Å; M225-A227 PolarHBondContact O-N 2.8Å; M225-F228 HydrophobicContact CE-CD1 3.76Å; M225-F228 HydrophobicContact CE-CE1 4.23Å; M225-F228 PolarHBondContact O-N 3.26Å; M225-F228 HydrophobicContact SD-CD1 4.25Å; M225-L229 HydrophobicContact CB-CD1 4.31Å; M225-L229 HydrophobicContact CE-CD1 4.18Å; M225-L229 HydrophobicContact CE-CD2 4.23Å; M225-L229 HydrophobicContact CE-CG 4.15Å; M225-L229 WeakPolarHBondContact O-CB 3.47Å; M225-L229 WeakPolarHBondContact O-CG 3.39Å; M225-L229 PolarHBondContact O-N 3Å
226A86.7Confident87.1Confident56 Ų5633 Ų3346%0.46320%0.197SC..Hα-helixtrans-58.9-44.9173.100000111.3Q222 S230Q222-A226 WeakPolarHBondContact O-CB 3.5Å; Q222-A226 PolarHBondContact O-N 3.06Å; A226-S230 WeakPolarHBondContact O-CB 3.27Å; A226-S230 PolarHBondContact O-N 3.4Å; A226-S230 PolarHBondContact O-OG 3.2Å
227A88.5Confident86.6Confident18 Ų1833 Ų3315%0.14920%0.197CC..Hα-helixtrans-67.1-41.3178.900000112.8L159 F203 A223 L224 M225 S230 A231 K310L159-A227 HydrophobicContact CD1-CB 3.28Å; L159-A227 HydrophobicContact CG-CB 4.35Å; F203-A227 HydrophobicContact CD2-CB 4.21Å; F203-A227 HydrophobicContact CE2-CB 3.65Å; F203-A227 HydrophobicContact CZ-CB 4.48Å; A223-A227 PolarHBondContact O-N 2.81Å; A223-A227 VanDerWaalsContact O-N 3.09Å; L224-A227 PolarHBondContact O-N 2.99Å; M225-A227 VanDerWaalsContact C-N 3.33Å; M225-A227 PolarHBondContact O-N 2.8Å; A227-S230 PolarHBondContact O-OG 3.25Å; A227-A231 VanDerWaalsContact O-CB 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.45Å; A227-A231 PolarHBondContact O-N 3.43Å; A227-K310 PolarHBondContact O-NZ 3.4Å; A227-K310 VanDerWaalsContact O-NZ 3.12Å
228F93.8Very high86.3Confident1 Ų131.6 Ų31.60%0.00418%0.18CC..Hα-helixtrans-67-50.7177.6171.3-127.6000112I5 L58 P102 L104 F203 L224 M225 S230 A231I5-F228 HydrophobicContact CD1-CE1 4.32Å; I5-F228 HydrophobicContact CD1-CZ 4.31Å; I5-F228 HydrophobicContact CG1-CE1 4.49Å; I5-F228 HydrophobicContact CG2-CE1 3.83Å; I5-F228 HydrophobicContact CG2-CZ 3.81Å; L58-F228 HydrophobicContact CB-CE1 4.46Å; L58-F228 HydrophobicContact CB-CZ 4.37Å; P102-F228 HydrophobicContact CB-CD2 3.79Å; P102-F228 HydrophobicContact CB-CE2 3.82Å; L104-F228 HydrophobicContact CB-CD1 4.23Å; L104-F228 HydrophobicContact CB-CD2 3.88Å; L104-F228 HydrophobicContact CB-CE1 4.22Å; L104-F228 HydrophobicContact CB-CE2 3.87Å; L104-F228 HydrophobicContact CB-CG 4.06Å; L104-F228 HydrophobicContact CB-CZ 4.05Å; L104-F228 HydrophobicContact CD2-CD1 4.21Å; L104-F228 HydrophobicContact CD2-CG 4.47Å; F203-F228 HydrophobicContact CD1-CB 4.13Å; F203-F228 AromaticContact CD1-CD2 3.72Å; F203-F228 HydrophobicContact CD1-CD2 3.72Å; F203-F228 HydrophobicContact CD1-CG 4.4Å; F203-F228 HydrophobicContact CE1-CB 3.59Å; F203-F228 AromaticContact CE1-CD2 3.71Å; F203-F228 HydrophobicContact CE1-CD2 3.71Å; F203-F228 HydrophobicContact CE1-CG 4.03Å; F203-F228 HydrophobicContact CZ-CB 3.8Å; L224-F228 WeakPolarHBondContact O-CB 3.33Å; L224-F228 PolarHBondContact O-N 3.1Å; M225-F228 HydrophobicContact CE-CD1 3.76Å; M225-F228 HydrophobicContact CE-CE1 4.23Å; M225-F228 PolarHBondContact O-N 3.26Å; M225-F228 HydrophobicContact SD-CD1 4.25Å; F228-S230 VanDerWaalsContact C-N 3.31Å; F228-S230 PolarHBondContact O-N 2.85Å; F228-A231 PolarHBondContact O-N 2.88Å
229L89.3Confident86.2Confident11 Ų1129.7 Ų29.76%0.05817%0.168CC..Hα-helixtrans-73.7-19.7-175.6-62.4176.9000112.8P3 I5 N31 M225 Y232P3-L229 HydrophobicContact CG-CB 4.09Å; P3-L229 HydrophobicContact CG-CD2 4.07Å; I5-L229 HydrophobicContact CD1-CD2 3.6Å; I5-L229 HydrophobicContact CG1-CD2 3.49Å; I5-L229 VanDerWaalsContact CG1-CD2 3.49Å; N31-L229 HydrophobicContact CB-CD1 3.83Å; N31-L229 WeakPolarHBondContact O-CD1 3.11Å; M225-L229 HydrophobicContact CB-CD1 4.31Å; M225-L229 HydrophobicContact CE-CD1 4.18Å; M225-L229 HydrophobicContact CE-CD2 4.23Å; M225-L229 HydrophobicContact CE-CG 4.15Å; M225-L229 WeakPolarHBondContact O-CB 3.47Å; M225-L229 WeakPolarHBondContact O-CG 3.39Å; M225-L229 PolarHBondContact O-N 3Å; L229-Y232 WeakPolarHBondContact O-CD1 3.23Å; L229-Y232 WeakPolarHBondContact O-CE1 3.48Å
230S83Confident86.2Confident21 Ų2125.3 Ų25.315%0.14714%0.141CC..Hα-helixtrans-90.7-20.3175.559.40000113.7A226 A227 F228 Y232 K233A226-S230 WeakPolarHBondContact O-CB 3.27Å; A226-S230 PolarHBondContact O-N 3.4Å; A226-S230 PolarHBondContact O-OG 3.2Å; A227-S230 PolarHBondContact O-OG 3.25Å; F228-S230 VanDerWaalsContact C-N 3.31Å; F228-S230 PolarHBondContact O-N 2.85Å; S230-Y232 PolarHBondContact O-N 2.99Å; S230-Y232 VanDerWaalsContact O-N 3.12Å; S230-K233 WeakPolarHBondContact O-CB 3.48Å; S230-K233 PolarHBondContact O-N 3.28Å; S230-K233 VanDerWaalsContact O-N 3.13Å
231A85.9Confident85.9Confident4 Ų424.8 Ų24.83%0.03314%0.141CC..THydrogen-bonded Turntrans-69.8-12.2-168.700000115.2P102 F203 A227 F228 K233P102-A231 HydrophobicContact CB-CB 4.09Å; P102-A231 HydrophobicContact CG-CB 3.59Å; F203-A231 HydrophobicContact CB-CB 3.29Å; F203-A231 HydrophobicContact CG-CB 4.1Å; A227-A231 VanDerWaalsContact O-CB 3.28Å; A227-A231 WeakPolarHBondContact O-CB 3.45Å; A227-A231 PolarHBondContact O-N 3.43Å; F228-A231 PolarHBondContact O-N 2.88Å; A231-K233 VanDerWaalsContact C-N 3.31Å
232Y73.1Confident85.7Confident63 Ų6325.4 Ų25.425%0.24714%0.144CC..THydrogen-bonded Turntrans-75.5-26.2175.676.6-84.6000111.9P3 S55 L229 S230P3-Y232 HydrophobicContact CB-CD1 3.81Å; P3-Y232 HydrophobicContact CB-CE1 3.42Å; P3-Y232 VanDerWaalsContact CB-CE1 3.42Å; P3-Y232 HydrophobicContact CG-CD1 4.27Å; P3-Y232 HydrophobicContact CG-CE1 3.71Å; S55-Y232 WeakPolarHBondContact O-CB 3.41Å; L229-Y232 WeakPolarHBondContact O-CD1 3.23Å; L229-Y232 WeakPolarHBondContact O-CE1 3.48Å; S230-Y232 PolarHBondContact O-N 2.99Å; S230-Y232 VanDerWaalsContact O-N 3.12Å
233K67.4Low85.9Confident45 Ų4521 Ų2120%0.19612%0.123CC..SBendtrans-73.7131.4-179.7-59-173-170.2-1740107.7S230 A231 S235 W238 D241S230-K233 WeakPolarHBondContact O-CB 3.48Å; S230-K233 PolarHBondContact O-N 3.28Å; S230-K233 VanDerWaalsContact O-N 3.13Å; A231-K233 VanDerWaalsContact C-N 3.31Å; K233-S235 PolarHBondContact O-N 3.1Å; K233-W238 HydrophobicContact CB-CB 3.79Å; K233-W238 HydrophobicContact CD-CB 3.93Å; K233-W238 HydrophobicContact CD-CG 4.41Å; K233-D241 WeakPolarHBondContact CD-OD2 3.16Å; K233-D241 VanDerWaalsContact CE-OD2 3.22Å; K233-D241 WeakPolarHBondContact CE-OD2 3.46Å; K233-D241 IonicContact NZ-OD2 3.58Å; K233-D241 PolarHBondContact NZ-OD2 2.84Å
234D71Confident86Confident49 Ų4923.5 Ų23.526%0.26213%0.132SC..  trans-59140.7161.5-58.9-49000108K202 F236 L237 W238K202-D234 IonicContact NZ-OD1 3.84Å; K202-D234 PolarHBondContact NZ-OD1 2.92Å; D234-F236 CarbonylContact O-C 3.58Å; D234-F236 PolarHBondContact O-N 2.85Å; D234-L237 HydrophobicContact CB-CD1 4.32Å; D234-L237 PolarHBondContact O-N 3.17Å; D234-W238 PolarHBondContact O-N 3.13Å
235S75.1Confident85.9Confident38 Ų3830.1 Ų30.127%0.26616%0.163SC..Hα-helixtrans-50.9-33.2-173.4-60.80000112.6K233 M239 K310 H311K233-S235 PolarHBondContact O-N 3.1Å; S235-M239 PolarHBondContact O-N 3.35Å; S235-K310 PolarHBondContact OG-O 3.49Å; S235-H311 WeakPolarHBondContact CB-O 3.16Å; S235-H311 WeakPolarHBondContact OG-CA 3.18Å; S235-H311 PolarHBondContact OG-ND1 3.5Å
236F85.9Confident86Confident1 Ų131.7 Ų31.70%0.00417%0.169CC..Hα-helixtrans-56.6-60170.3173.4-113000113.1D234 W238 M239 I240 V252 W256 I260 I272 F349 V354D234-F236 CarbonylContact O-C 3.58Å; D234-F236 PolarHBondContact O-N 2.85Å; F236-W238 PolarHBondContact O-N 2.94Å; F236-M239 WeakPolarHBondContact O-CA 3.17Å; F236-M239 WeakPolarHBondContact O-CB 3.14Å; F236-M239 PolarHBondContact O-N 2.84Å; F236-I240 HydrophobicContact CD2-CD1 4.38Å; F236-I240 HydrophobicContact CD2-CG1 4.16Å; F236-I240 HydrophobicContact CE1-CG1 4.05Å; F236-I240 HydrophobicContact CE2-CD1 3.64Å; F236-I240 HydrophobicContact CE2-CG1 3.66Å; F236-I240 HydrophobicContact CZ-CD1 3.85Å; F236-I240 HydrophobicContact CZ-CG1 3.56Å; F236-I240 WeakPolarHBondContact O-CG1 3.19Å; F236-I240 PolarHBondContact O-N 3.19Å; F236-V252 HydrophobicContact CE2-CB 4.48Å; F236-V252 HydrophobicContact CE2-CG1 3.85Å; F236-V252 HydrophobicContact CE2-CG2 3.87Å; F236-V252 HydrophobicContact CZ-CG1 4.47Å; F236-V252 HydrophobicContact CZ-CG2 4.2Å; F236-W256 HydrophobicContact CB-CD2 3.8Å; F236-W256 VanDerWaalsContact CB-CE2 3.49Å; F236-W256 HydrophobicContact CB-CE3 3.93Å; F236-W256 HydrophobicContact CB-CH2 3.53Å; F236-W256 HydrophobicContact CB-CZ2 3.38Å; F236-W256 HydrophobicContact CB-CZ3 3.8Å; F236-W256 AromaticContact CD1-CD2 3.91Å; F236-W256 HydrophobicContact CD1-CD2 3.91Å; F236-W256 AromaticContact CD1-CE3 3.31Å; F236-W256 HydrophobicContact CD1-CE3 3.31Å; F236-W256 AromaticContact CD1-CH2 3.98Å; F236-W256 HydrophobicContact CD1-CH2 3.98Å; F236-W256 AromaticContact CD1-CZ3 3.34Å; F236-W256 HydrophobicContact CD1-CZ3 3.34Å; F236-W256 HydrophobicContact CD2-CB 4.09Å; F236-W256 AromaticContact CD2-CD2 3.54Å; F236-W256 HydrophobicContact CD2-CD2 3.54Å; F236-W256 AromaticContact CD2-CE3 3.82Å; F236-W256 HydrophobicContact CD2-CE3 3.82Å; F236-W256 AromaticContact CD2-CG 3.67Å; F236-W256 HydrophobicContact CD2-CG 3.67Å; F236-W256 HydrophobicContact CD2-CZ3 4.48Å; F236-W256 HydrophobicContact CE1-CD2 4.45Å; F236-W256 AromaticContact CE1-CE3 3.75Å; F236-W256 HydrophobicContact CE1-CE3 3.75Å; F236-W256 HydrophobicContact CE1-CZ3 4.09Å; F236-W256 HydrophobicContact CE2-CB 3.93Å; F236-W256 HydrophobicContact CE2-CD2 4.13Å; F236-W256 HydrophobicContact CE2-CE3 4.21Å; F236-W256 HydrophobicContact CE2-CG 4.03Å; F236-W256 AromaticContact CG-CD2 3.44Å; F236-W256 HydrophobicContact CG-CD2 3.44Å; F236-W256 VanDerWaalsContact CG-CD2 3.44Å; F236-W256 AromaticContact CG-CE2 3.73Å; F236-W256 AromaticContact CG-CE3 3.37Å; F236-W256 HydrophobicContact CG-CE3 3.37Å; F236-W256 HydrophobicContact CG-CG 4.1Å; F236-W256 AromaticContact CG-CH2 3.9Å; F236-W256 HydrophobicContact CG-CH2 3.9Å; F236-W256 AromaticContact CG-CZ2 3.97Å; F236-W256 HydrophobicContact CG-CZ2 3.97Å; F236-W256 AromaticContact CG-CZ3 3.61Å; F236-W256 HydrophobicContact CG-CZ3 3.61Å; F236-W256 HydrophobicContact CZ-CE3 4.19Å; F236-I260 HydrophobicContact CE1-CD1 4.35Å; F236-I260 HydrophobicContact CE1-CG1 4.27Å; F236-I260 HydrophobicContact CE2-CD1 4.15Å; F236-I260 HydrophobicContact CZ-CD1 3.48Å; F236-I260 VanDerWaalsContact CZ-CD1 3.48Å; F236-I260 HydrophobicContact CZ-CG1 3.87Å; F236-I272 HydrophobicContact CB-CD1 4.31Å; F236-I272 HydrophobicContact CB-CG1 4.45Å; F236-I272 HydrophobicContact CD2-CG1 4.28Å; F236-I272 HydrophobicContact CD2-CG2 3.91Å; F236-I272 HydrophobicContact CE2-CG2 4.3Å; F236-F349 HydrophobicContact CD1-CD1 4.41Å; F236-F349 AromaticContact CD1-CE1 3.97Å; F236-F349 HydrophobicContact CD1-CE1 3.97Å; F236-F349 AromaticContact CE1-CD1 3.8Å; F236-F349 HydrophobicContact CE1-CD1 3.8Å; F236-F349 AromaticContact CE1-CE1 3.8Å; F236-F349 HydrophobicContact CE1-CE1 3.8Å; F236-V354 HydrophobicContact CZ-CG1 4.21Å
237L85.1Confident86.3Confident7 Ų737.3 Ų37.34%0.03719%0.186CC..Hα-helixtrans-64.3-31.8-177.3-61.4170.4000112.7D234 I240 D241 F349 E350D234-L237 HydrophobicContact CB-CD1 4.32Å; D234-L237 PolarHBondContact O-N 3.17Å; L237-I240 PolarHBondContact O-N 3.44Å; L237-D241 WeakPolarHBondContact O-CB 3.36Å; L237-D241 VanDerWaalsContact O-CG 3.26Å; L237-D241 PolarHBondContact O-N 3.39Å; L237-F349 HydrophobicContact CD2-CD1 3.92Å; L237-F349 HydrophobicContact CD2-CE1 3.93Å; L237-E350 WeakPolarHBondContact CD1-OE2 3.21Å
238W83.7Confident86.6Confident24 Ų2436.9 Ų36.99%0.09118%0.181CC..Hα-helixtrans-62.6-46.3171.3175.576.3000111.7K233 D234 F236 D241 L242 L291 Y293 H311K233-W238 HydrophobicContact CB-CB 3.79Å; K233-W238 HydrophobicContact CD-CB 3.93Å; K233-W238 HydrophobicContact CD-CG 4.41Å; D234-W238 PolarHBondContact O-N 3.13Å; F236-W238 PolarHBondContact O-N 2.94Å; W238-D241 PolarHBondContact O-N 2.82Å; W238-L242 HydrophobicContact CD2-CD1 3.82Å; W238-L242 VanDerWaalsContact CE2-CD1 3.5Å; W238-L242 HydrophobicContact CE3-CD1 3.98Å; W238-L242 HydrophobicContact CH2-CD1 3.61Å; W238-L242 HydrophobicContact CZ2-CD1 3.43Å; W238-L242 VanDerWaalsContact CZ2-CD1 3.43Å; W238-L242 HydrophobicContact CZ3-CD1 3.86Å; W238-L242 WeakPolarHBondContact O-CG 3.22Å; W238-L242 PolarHBondContact O-N 2.99Å; W238-L291 HydrophobicContact CH2-CD1 3.78Å; W238-L291 HydrophobicContact CZ2-CD1 3.99Å; W238-L291 HydrophobicContact CZ2-CD2 4.43Å; W238-Y293 AromaticContact CH2-CE2 3.99Å; W238-Y293 HydrophobicContact CH2-CE2 3.99Å; W238-Y293 AromaticContact CZ3-CE2 3.84Å; W238-Y293 HydrophobicContact CZ3-CE2 3.84Å; W238-H311 AromaticContact CD2-CE1 3.75Å; W238-H311 AromaticContact CD2-NE2 3.96Å; W238-H311 AromaticContact CE2-CE1 3.99Å; W238-H311 AromaticContact CE2-NE2 3.81Å; W238-H311 HydrophobicContact CE3-CB 4.24Å; W238-H311 AromaticContact CE3-CD2 3.75Å; W238-H311 AromaticContact CE3-CE1 3.74Å; W238-H311 AromaticContact CE3-CG 3.63Å; W238-H311 AromaticContact CE3-ND1 3.63Å; W238-H311 AromaticContact CE3-NE2 3.88Å; W238-H311 AromaticContact CH2-CD2 3.19Å; W238-H311 WeakPolarHBondContact CH2-CD2 3.31Å; W238-H311 AromaticContact CH2-CG 3.9Å; W238-H311 AromaticContact CH2-NE2 3.46Å; W238-H311 WeakPolarHBondContact CH2-NE2 3.35Å; W238-H311 AromaticContact CZ2-CD2 3.82Å; W238-H311 AromaticContact CZ2-NE2 3.55Å; W238-H311 HydrophobicContact CZ3-CB 3.85Å; W238-H311 AromaticContact CZ3-CD2 3.17Å; W238-H311 WeakPolarHBondContact CZ3-CD2 3.38Å; W238-H311 AromaticContact CZ3-CE1 3.95Å; W238-H311 AromaticContact CZ3-CG 3.35Å; W238-H311 AromaticContact CZ3-ND1 3.85Å; W238-H311 AromaticContact CZ3-NE2 3.65Å
239M90.7Very high86.6Confident0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-61-44.9174.8-176.957.261.500111.8S235 F236 D241 L242 L243 I272 L288 Y293 L314S235-M239 PolarHBondContact O-N 3.35Å; F236-M239 WeakPolarHBondContact O-CA 3.17Å; F236-M239 WeakPolarHBondContact O-CB 3.14Å; F236-M239 PolarHBondContact O-N 2.84Å; M239-D241 VanDerWaalsContact C-N 3.32Å; M239-D241 PolarHBondContact O-N 3.03Å; M239-L242 WeakPolarHBondContact O-CB 3.31Å; M239-L242 PolarHBondContact O-N 3.35Å; M239-L242 VanDerWaalsContact O-N 3.14Å; M239-L243 HydrophobicContact CG-CD1 4.11Å; M239-L243 HydrophobicContact CG-CG 4.43Å; M239-L243 WeakPolarHBondContact O-CG 3.17Å; M239-L243 PolarHBondContact O-N 3.36Å; M239-L243 HydrophobicContact SD-CD1 4.4Å; M239-L243 HydrophobicContact SD-CG 4.2Å; M239-I272 HydrophobicContact CB-CD1 3.98Å; M239-I272 HydrophobicContact CG-CD1 4.43Å; M239-L288 HydrophobicContact CE-CD2 3.88Å; M239-L288 HydrophobicContact SD-CD2 4.27Å; M239-Y293 HydrophobicContact CE-CE2 3.83Å; M239-Y293 WeakPolarHBondContact CE-OH 3.07Å; M239-L314 HydrophobicContact CE-CD1 4.08Å; M239-L314 HydrophobicContact CE-CD2 3.61Å; M239-L314 HydrophobicContact CE-CG 4.41Å; M239-L314 HydrophobicContact CG-CD1 4.05Å; M239-L314 HydrophobicContact SD-CD1 4.26Å; M239-L314 HydrophobicContact SD-CD2 4.12Å
240I92Very high86.8Confident2 Ų241.4 Ų41.41%0.0121%0.205CC..Hα-helixtrans-56.5-45.7175.7-64.9-44.7000111.6F236 L237 L242 L243 N244 Y250 V252 V354F236-I240 HydrophobicContact CD2-CD1 4.38Å; F236-I240 HydrophobicContact CD2-CG1 4.16Å; F236-I240 HydrophobicContact CE1-CG1 4.05Å; F236-I240 HydrophobicContact CE2-CD1 3.64Å; F236-I240 HydrophobicContact CE2-CG1 3.66Å; F236-I240 HydrophobicContact CZ-CD1 3.85Å; F236-I240 HydrophobicContact CZ-CG1 3.56Å; F236-I240 WeakPolarHBondContact O-CG1 3.19Å; F236-I240 PolarHBondContact O-N 3.19Å; L237-I240 PolarHBondContact O-N 3.44Å; I240-L242 VanDerWaalsContact C-N 3.33Å; I240-L242 PolarHBondContact O-N 3.47Å; I240-L243 PolarHBondContact O-N 3.04Å; I240-N244 WeakPolarHBondContact O-CB 3.21Å; I240-N244 VanDerWaalsContact O-CG 3.23Å; I240-N244 PolarHBondContact O-N 3.33Å; I240-N244 VanDerWaalsContact O-N 3.12Å; I240-N244 PolarHBondContact O-ND2 2.82Å; I240-Y250 HydrophobicContact CD1-CD2 4.45Å; I240-Y250 HydrophobicContact CD1-CE2 3.64Å; I240-Y250 WeakPolarHBondContact CG2-OH 2.99Å; I240-V252 HydrophobicContact CD1-CG2 3.6Å; I240-V354 HydrophobicContact CD1-CG1 3.97Å; I240-V354 HydrophobicContact CG1-CG1 4.16Å; I240-V354 HydrophobicContact CG2-CG1 4.22Å; I240-V354 HydrophobicContact CG2-CG2 4.38Å
241D88.4Confident87.4Confident46 Ų4642.5 Ų42.525%0.24621%0.206CC..Hα-helixtrans-63.5-38.9178.1-73.4-20.5000111.9K233 L237 W238 M239 E245K233-D241 WeakPolarHBondContact CD-OD2 3.16Å; K233-D241 VanDerWaalsContact CE-OD2 3.22Å; K233-D241 WeakPolarHBondContact CE-OD2 3.46Å; K233-D241 IonicContact NZ-OD2 3.58Å; K233-D241 PolarHBondContact NZ-OD2 2.84Å; L237-D241 WeakPolarHBondContact O-CB 3.36Å; L237-D241 VanDerWaalsContact O-CG 3.26Å; L237-D241 PolarHBondContact O-N 3.39Å; W238-D241 PolarHBondContact O-N 2.82Å; M239-D241 VanDerWaalsContact C-N 3.32Å; M239-D241 PolarHBondContact O-N 3.03Å; D241-E245 WeakPolarHBondContact O-CB 3.22Å; D241-E245 PolarHBondContact O-N 3.29Å
242L91.1Very high87.8Confident19 Ų1942.3 Ų42.310%0.09920%0.204CC..Hα-helixtrans-66.1-47.2177.7-72.3173.7000112.4W238 M239 I240 N244 E245 W246 L291W238-L242 HydrophobicContact CD2-CD1 3.82Å; W238-L242 VanDerWaalsContact CE2-CD1 3.5Å; W238-L242 HydrophobicContact CE3-CD1 3.98Å; W238-L242 HydrophobicContact CH2-CD1 3.61Å; W238-L242 HydrophobicContact CZ2-CD1 3.43Å; W238-L242 VanDerWaalsContact CZ2-CD1 3.43Å; W238-L242 HydrophobicContact CZ3-CD1 3.86Å; W238-L242 WeakPolarHBondContact O-CG 3.22Å; W238-L242 PolarHBondContact O-N 2.99Å; M239-L242 WeakPolarHBondContact O-CB 3.31Å; M239-L242 PolarHBondContact O-N 3.35Å; M239-L242 VanDerWaalsContact O-N 3.14Å; I240-L242 VanDerWaalsContact C-N 3.33Å; I240-L242 PolarHBondContact O-N 3.47Å; L242-N244 VanDerWaalsContact C-N 3.28Å; L242-N244 PolarHBondContact O-N 3.27Å; L242-E245 PolarHBondContact O-N 2.63Å; L242-E245 VanDerWaalsContact O-N 3.16Å; L242-W246 HydrophobicContact CB-CD2 4.39Å; L242-W246 HydrophobicContact CB-CE3 4.35Å; L242-W246 HydrophobicContact CB-CH2 4.15Å; L242-W246 HydrophobicContact CB-CZ2 4.14Å; L242-W246 HydrophobicContact CB-CZ3 4.23Å; L242-W246 HydrophobicContact CD1-CH2 4.15Å; L242-W246 HydrophobicContact CD1-CZ2 4.3Å; L242-W246 HydrophobicContact CD2-CZ2 3.89Å; L242-W246 HydrophobicContact CG-CZ2 4.34Å; L242-W246 WeakPolarHBondContact O-CB 3.45Å; L242-W246 PolarHBondContact O-N 3.45Å; L242-L291 HydrophobicContact CD1-CD1 3.41Å; L242-L291 VanDerWaalsContact CD1-CD1 3.41Å; L242-L291 HydrophobicContact CD2-CD1 4.48Å
243L94.8Very high88.7Confident1 Ų140.3 Ų40.31%0.00520%0.197CC..Hα-helixtrans-60.3-41.3178.8-66.4171.4000111.1M239 I240 W246 Q247 I248 Y250 I274 L284M239-L243 HydrophobicContact CG-CD1 4.11Å; M239-L243 HydrophobicContact CG-CG 4.43Å; M239-L243 WeakPolarHBondContact O-CG 3.17Å; M239-L243 PolarHBondContact O-N 3.36Å; M239-L243 HydrophobicContact SD-CD1 4.4Å; M239-L243 HydrophobicContact SD-CG 4.2Å; I240-L243 PolarHBondContact O-N 3.04Å; L243-W246 PolarHBondContact O-N 3.01Å; L243-Q247 PolarHBondContact O-N 3.22Å; L243-Q247 VanDerWaalsContact O-N 3.08Å; L243-I248 HydrophobicContact CD2-CB 4.35Å; L243-I248 HydrophobicContact CD2-CD1 4.21Å; L243-I248 HydrophobicContact CD2-CG2 4.36Å; L243-I248 PolarHBondContact O-N 3.23Å; L243-Y250 HydrophobicContact CB-CD1 3.47Å; L243-Y250 VanDerWaalsContact CB-CD1 3.47Å; L243-Y250 HydrophobicContact CB-CE1 3.52Å; L243-Y250 HydrophobicContact CB-CG 4.16Å; L243-Y250 HydrophobicContact CD1-CD1 3.88Å; L243-Y250 HydrophobicContact CD1-CD2 3.88Å; L243-Y250 HydrophobicContact CD1-CE1 4.3Å; L243-Y250 HydrophobicContact CD1-CE2 4.31Å; L243-Y250 HydrophobicContact CD1-CG 3.67Å; L243-Y250 HydrophobicContact CG-CD1 4.24Å; L243-Y250 HydrophobicContact CG-CG 4.48Å; L243-I274 HydrophobicContact CD1-CD1 3.96Å; L243-I274 HydrophobicContact CD1-CG1 4.24Å; L243-I274 HydrophobicContact CD1-CG2 4Å; L243-L284 HydrophobicContact CD2-CD1 3.8Å
244N92.8Very high89.7Confident80 Ų8038.5 Ų38.543%0.42819%0.192SC..Hα-helixtrans-64.3-43174.1-70.1-35000112.5I240 L242 W246 Q247 Y250I240-N244 WeakPolarHBondContact O-CB 3.21Å; I240-N244 VanDerWaalsContact O-CG 3.23Å; I240-N244 PolarHBondContact O-N 3.33Å; I240-N244 VanDerWaalsContact O-N 3.12Å; I240-N244 PolarHBondContact O-ND2 2.82Å; L242-N244 VanDerWaalsContact C-N 3.28Å; L242-N244 PolarHBondContact O-N 3.27Å; N244-W246 VanDerWaalsContact C-N 3.31Å; N244-W246 PolarHBondContact O-N 2.84Å; N244-Q247 PolarHBondContact O-N 3.03Å; N244-Y250 PolarHBondContact ND2-OH 3.03Å; N244-Y250 WeakPolarHBondContact OD1-CE1 3.04Å; N244-Y250 PolarHBondContact OD1-OH 3Å
245E91.6Very high90.6Very high147 Ų14736.6 Ų36.669%0.68718%0.183SC*.Hα-helixtrans-63.2-39.4177.2-177.8179.1159.200111.7D241 L242 Q247D241-E245 WeakPolarHBondContact O-CB 3.22Å; D241-E245 PolarHBondContact O-N 3.29Å; L242-E245 PolarHBondContact O-N 2.63Å; L242-E245 VanDerWaalsContact O-N 3.16Å; E245-Q247 PolarHBondContact O-N 3.12Å
246W95.4Very high91.4Very high32 Ų3235.6 Ų35.612%0.12117%0.174CC..THydrogen-bonded Turntrans-79.3-3.4178-60.3-17000113.8L242 L243 N244 I248 L284 K287 L288 L291L242-W246 HydrophobicContact CB-CD2 4.39Å; L242-W246 HydrophobicContact CB-CE3 4.35Å; L242-W246 HydrophobicContact CB-CH2 4.15Å; L242-W246 HydrophobicContact CB-CZ2 4.14Å; L242-W246 HydrophobicContact CB-CZ3 4.23Å; L242-W246 HydrophobicContact CD1-CH2 4.15Å; L242-W246 HydrophobicContact CD1-CZ2 4.3Å; L242-W246 HydrophobicContact CD2-CZ2 3.89Å; L242-W246 HydrophobicContact CG-CZ2 4.34Å; L242-W246 WeakPolarHBondContact O-CB 3.45Å; L242-W246 PolarHBondContact O-N 3.45Å; L243-W246 PolarHBondContact O-N 3.01Å; N244-W246 VanDerWaalsContact C-N 3.31Å; N244-W246 PolarHBondContact O-N 2.84Å; W246-I248 HydrophobicContact CB-CD1 3.94Å; W246-I248 HydrophobicContact CB-CG1 3.95Å; W246-I248 HydrophobicContact CE3-CD1 3.95Å; W246-I248 PolarHBondContact O-N 3.08Å; W246-L284 HydrophobicContact CE3-CD1 4.21Å; W246-L284 HydrophobicContact CZ3-CD1 3.98Å; W246-K287 HydrophobicContact CB-CD 4.28Å; W246-K287 VanDerWaalsContact CD1-NZ 3.3Å; W246-K287 HydrophobicContact CD2-CB 4.29Å; W246-K287 HydrophobicContact CD2-CD 3.39Å; W246-K287 HydrophobicContact CD2-CG 4.49Å; W246-K287 VanDerWaalsContact CE2-CD 3.48Å; W246-K287 HydrophobicContact CE3-CB 4.24Å; W246-K287 HydrophobicContact CE3-CD 3.95Å; W246-K287 HydrophobicContact CG-CD 3.53Å; W246-K287 VanDerWaalsContact CG-NZ 3.3Å; W246-K287 HydrophobicContact CH2-CB 3.61Å; W246-K287 HydrophobicContact CH2-CD 4.47Å; W246-K287 HydrophobicContact CZ2-CB 3.7Å; W246-K287 HydrophobicContact CZ2-CD 4.03Å; W246-K287 HydrophobicContact CZ2-CG 4.42Å; W246-K287 HydrophobicContact CZ3-CB 3.93Å; W246-K287 HydrophobicContact CZ3-CD 4.45Å; W246-L288 HydrophobicContact CH2-CD2 4.28Å; W246-L288 HydrophobicContact CZ3-CD2 4.21Å; W246-L288 HydrophobicContact CZ3-CG 4.39Å; W246-L291 HydrophobicContact CH2-CD1 3.44Å; W246-L291 VanDerWaalsContact CH2-CD1 3.44Å; W246-L291 HydrophobicContact CH2-CG 4.32Å; W246-L291 HydrophobicContact CZ2-CD1 3.7Å; W246-L291 HydrophobicContact CZ2-CG 4.33Å
247Q94.9Very high91.8Very high175 Ų17535.6 Ų35.682%0.81817%0.173SC*.THydrogen-bonded Turntrans56.737.5-179.8-54.1-176.9-14.200112.6L243 N244 E245L243-Q247 PolarHBondContact O-N 3.22Å; L243-Q247 VanDerWaalsContact O-N 3.08Å; N244-Q247 PolarHBondContact O-N 3.03Å; E245-Q247 PolarHBondContact O-N 3.12Å
248I94.6Very high92.1Very high8 Ų835.2 Ų35.24%0.04117%0.172CC..  trans-87.7128.3174.9-63.3176.2000107.1L243 W246 Y250 F276 A280 L284L243-I248 HydrophobicContact CD2-CB 4.35Å; L243-I248 HydrophobicContact CD2-CD1 4.21Å; L243-I248 HydrophobicContact CD2-CG2 4.36Å; L243-I248 PolarHBondContact O-N 3.23Å; W246-I248 HydrophobicContact CB-CD1 3.94Å; W246-I248 HydrophobicContact CB-CG1 3.95Å; W246-I248 HydrophobicContact CE3-CD1 3.95Å; W246-I248 PolarHBondContact O-N 3.08Å; I248-Y250 VanDerWaalsContact O-CD1 3.29Å; I248-Y250 WeakPolarHBondContact O-CD1 3.46Å; I248-Y250 PolarHBondContact O-N 2.97Å; I248-F276 HydrophobicContact CG2-CB 4.19Å; I248-A280 HydrophobicContact CG1-CB 4.32Å; I248-A280 HydrophobicContact CG2-CB 4.22Å; I248-L284 HydrophobicContact CD1-CB 3.84Å; I248-L284 HydrophobicContact CD1-CD1 3.61Å; I248-L284 HydrophobicContact CD1-CG 4.19Å
249D92.5Very high92.4Very high102 Ų10234.1 Ų34.155%0.54517%0.167SC..  trans-73.4122.1169.3-72.1-34.6000108.5W251 F276 D277D249-W251 HydrophobicContact CB-CH2 4.27Å; D249-W251 HydrophobicContact CB-CZ3 4.43Å; D249-F276 WeakPolarHBondContact O-CA 3.45Å; D249-D277 HydrophobicContact CB-CB 4.43Å; D249-D277 PolarHBondContact O-N 2.82Å; D249-D277 VanDerWaalsContact O-N 3.1Å
250Y94.9Very high92.5Very high6 Ų634.1 Ų34.12%0.02417%0.167CC..EExtended strand (participates in β ladder)trans-143.1162.9-177.671.6-85.9000112.1I240 L243 N244 I248 V252 I274 D275 P355I240-Y250 HydrophobicContact CD1-CD2 4.45Å; I240-Y250 HydrophobicContact CD1-CE2 3.64Å; I240-Y250 WeakPolarHBondContact CG2-OH 2.99Å; L243-Y250 HydrophobicContact CB-CD1 3.47Å; L243-Y250 VanDerWaalsContact CB-CD1 3.47Å; L243-Y250 HydrophobicContact CB-CE1 3.52Å; L243-Y250 HydrophobicContact CB-CG 4.16Å; L243-Y250 HydrophobicContact CD1-CD1 3.88Å; L243-Y250 HydrophobicContact CD1-CD2 3.88Å; L243-Y250 HydrophobicContact CD1-CE1 4.3Å; L243-Y250 HydrophobicContact CD1-CE2 4.31Å; L243-Y250 HydrophobicContact CD1-CG 3.67Å; L243-Y250 HydrophobicContact CG-CD1 4.24Å; L243-Y250 HydrophobicContact CG-CG 4.48Å; N244-Y250 PolarHBondContact ND2-OH 3.03Å; N244-Y250 WeakPolarHBondContact OD1-CE1 3.04Å; N244-Y250 PolarHBondContact OD1-OH 3Å; I248-Y250 VanDerWaalsContact O-CD1 3.29Å; I248-Y250 WeakPolarHBondContact O-CD1 3.46Å; I248-Y250 PolarHBondContact O-N 2.97Å; Y250-V252 HydrophobicContact CD2-CG2 4.27Å; Y250-V252 HydrophobicContact CE2-CG2 4.13Å; Y250-I274 HydrophobicContact CD2-CD1 4.43Å; Y250-D275 CarbonylContact C-O 3.52Å; Y250-D275 WeakPolarHBondContact CA-O 3.29Å; Y250-D275 WeakPolarHBondContact CB-O 3.45Å; Y250-P355 HydrophobicContact CE2-CB 4.22Å; Y250-P355 HydrophobicContact CE2-CG 4.2Å; Y250-P355 WeakPolarHBondContact O-CB 3.32Å; Y250-P355 WeakPolarHBondContact OH-CD 2.85Å
251W94.7Very high92.6Very high43 Ų4334.8 Ų34.816%0.16317%0.171CC..EExtended strand (participates in β ladder)trans-139.6137167.3-63.9-93.9000109.8D249 D275 L321 M327 F344 P355D249-W251 HydrophobicContact CB-CH2 4.27Å; D249-W251 HydrophobicContact CB-CZ3 4.43Å; W251-D275 HydrophobicContact CB-CB 4.36Å; W251-D275 PolarHBondContact N-O 3.02Å; W251-D275 PolarHBondContact O-N 3.31Å; W251-L321 HydrophobicContact CH2-CD1 4.09Å; W251-L321 HydrophobicContact CZ3-CD1 4.02Å; W251-M327 HydrophobicContact CH2-CE 3.67Å; W251-M327 HydrophobicContact CZ2-CE 3.92Å; W251-M327 HydrophobicContact CZ3-CE 4.01Å; W251-F344 HydrophobicContact CB-CD1 3.74Å; W251-F344 HydrophobicContact CB-CE1 4.25Å; W251-F344 AromaticContact CD1-CD1 3.86Å; W251-F344 HydrophobicContact CD2-CB 4.2Å; W251-F344 AromaticContact CD2-CD1 3.62Å; W251-F344 HydrophobicContact CD2-CD1 3.62Å; W251-F344 HydrophobicContact CD2-CE1 4.42Å; W251-F344 HydrophobicContact CD2-CG 4.21Å; W251-F344 HydrophobicContact CE3-CD1 4.1Å; W251-F344 HydrophobicContact CG-CB 4.14Å; W251-F344 AromaticContact CG-CD1 3.43Å; W251-F344 HydrophobicContact CG-CD1 3.43Å; W251-F344 VanDerWaalsContact CG-CD1 3.43Å; W251-F344 HydrophobicContact CG-CE1 4.31Å; W251-F344 HydrophobicContact CG-CG 4.22Å; W251-P355 HydrophobicContact CG-CB 4.31Å
252V95Very high92.7Very high0 Ų034.3 Ų34.30%017%0.168CC..EExtended strand (participates in β ladder)trans-82.9127.7177.3-1730000110.3F236 I240 Y250 W256 I260 D273 I274 V354 P355 C356 V357F236-V252 HydrophobicContact CE2-CB 4.48Å; F236-V252 HydrophobicContact CE2-CG1 3.85Å; F236-V252 HydrophobicContact CE2-CG2 3.87Å; F236-V252 HydrophobicContact CZ-CG1 4.47Å; F236-V252 HydrophobicContact CZ-CG2 4.2Å; I240-V252 HydrophobicContact CD1-CG2 3.6Å; Y250-V252 HydrophobicContact CD2-CG2 4.27Å; Y250-V252 HydrophobicContact CE2-CG2 4.13Å; V252-W256 HydrophobicContact CG1-CB 3.59Å; V252-I260 HydrophobicContact CB-CD1 3.54Å; V252-I260 HydrophobicContact CG1-CD1 3.71Å; V252-I260 HydrophobicContact CG2-CD1 3.77Å; V252-D273 WeakPolarHBondContact CA-O 3.38Å; V252-I274 HydrophobicContact CG2-CD1 3.89Å; V252-V354 HydrophobicContact CG2-CG1 4.06Å; V252-P355 WeakPolarHBondContact CG2-O 3.42Å; V252-P355 PolarHBondContact N-O 3.27Å; V252-C356 HydrophobicContact CB-CB 4.41Å; V252-C356 WeakPolarHBondContact O-CA 3.42Å; V252-V357 PolarHBondContact O-N 2.86Å
253E90.9Very high92.4Very high22 Ų2234.8 Ų34.810%0.10318%0.178CC..  trans-103.9-173.3175.4-148.2-147.9134.900111.4G257 D273 V357 F365E253-G257 PolarHBondContact O-N 2.83Å; E253-D273 HydrophobicContact CB-CB 3.88Å; E253-D273 PolarHBondContact N-O 3.45Å; E253-V357 HydrophobicContact CB-CG2 4.32Å; E253-V357 HydrophobicContact CG-CG2 3.97Å; E253-F365 HydrophobicContact CG-CD2 4.41Å; E253-F365 HydrophobicContact CG-CG 4.34Å; E253-F365 WeakPolarHBondContact OE1-CB 3.35Å; E253-F365 WeakPolarHBondContact OE1-CG 3.09Å
254G89.4Confident91.9Very high7 Ų741.2 Ų41.27%0.07221%0.206CC..Hα-helixtrans61.2-149.8169.900000115.1W256 G257 I258G254-W256 VanDerWaalsContact C-N 3.33Å; G254-W256 PolarHBondContact O-N 3.41Å; G254-G257 PolarHBondContact O-N 2.83Å; G254-G257 VanDerWaalsContact O-N 3.15Å; G254-I258 PolarHBondContact O-N 3.47Å; G254-I258 VanDerWaalsContact O-N 3.11Å
255G89.6Confident91.4Very high8 Ų840.1 Ų40.18%0.08220%0.198CC..Hα-helixtrans-62.1-37.8-17400000113.4I258 D259 H269G255-I258 PolarHBondContact O-N 2.77Å; G255-D259 PolarHBondContact O-N 3.22Å; G255-D259 VanDerWaalsContact O-N 3.12Å; G255-H269 PolarHBondContact O-CE1 3.35Å; G255-H269 VanDerWaalsContact O-CE1 3.27Å
256W92.1Very high91Very high18 Ų1835.3 Ų35.37%0.06818%0.178CC..Hα-helixtrans-67.9-41.6174-79.7108000111.9F236 V252 G254 I258 D259 I260 Q265 H269 D271 F349F236-W256 HydrophobicContact CB-CD2 3.8Å; F236-W256 VanDerWaalsContact CB-CE2 3.49Å; F236-W256 HydrophobicContact CB-CE3 3.93Å; F236-W256 HydrophobicContact CB-CH2 3.53Å; F236-W256 HydrophobicContact CB-CZ2 3.38Å; F236-W256 HydrophobicContact CB-CZ3 3.8Å; F236-W256 AromaticContact CD1-CD2 3.91Å; F236-W256 HydrophobicContact CD1-CD2 3.91Å; F236-W256 AromaticContact CD1-CE3 3.31Å; F236-W256 HydrophobicContact CD1-CE3 3.31Å; F236-W256 AromaticContact CD1-CH2 3.98Å; F236-W256 HydrophobicContact CD1-CH2 3.98Å; F236-W256 AromaticContact CD1-CZ3 3.34Å; F236-W256 HydrophobicContact CD1-CZ3 3.34Å; F236-W256 HydrophobicContact CD2-CB 4.09Å; F236-W256 AromaticContact CD2-CD2 3.54Å; F236-W256 HydrophobicContact CD2-CD2 3.54Å; F236-W256 AromaticContact CD2-CE3 3.82Å; F236-W256 HydrophobicContact CD2-CE3 3.82Å; F236-W256 AromaticContact CD2-CG 3.67Å; F236-W256 HydrophobicContact CD2-CG 3.67Å; F236-W256 HydrophobicContact CD2-CZ3 4.48Å; F236-W256 HydrophobicContact CE1-CD2 4.45Å; F236-W256 AromaticContact CE1-CE3 3.75Å; F236-W256 HydrophobicContact CE1-CE3 3.75Å; F236-W256 HydrophobicContact CE1-CZ3 4.09Å; F236-W256 HydrophobicContact CE2-CB 3.93Å; F236-W256 HydrophobicContact CE2-CD2 4.13Å; F236-W256 HydrophobicContact CE2-CE3 4.21Å; F236-W256 HydrophobicContact CE2-CG 4.03Å; F236-W256 AromaticContact CG-CD2 3.44Å; F236-W256 HydrophobicContact CG-CD2 3.44Å; F236-W256 VanDerWaalsContact CG-CD2 3.44Å; F236-W256 AromaticContact CG-CE2 3.73Å; F236-W256 AromaticContact CG-CE3 3.37Å; F236-W256 HydrophobicContact CG-CE3 3.37Å; F236-W256 HydrophobicContact CG-CG 4.1Å; F236-W256 AromaticContact CG-CH2 3.9Å; F236-W256 HydrophobicContact CG-CH2 3.9Å; F236-W256 AromaticContact CG-CZ2 3.97Å; F236-W256 HydrophobicContact CG-CZ2 3.97Å; F236-W256 AromaticContact CG-CZ3 3.61Å; F236-W256 HydrophobicContact CG-CZ3 3.61Å; F236-W256 HydrophobicContact CZ-CE3 4.19Å; V252-W256 HydrophobicContact CG1-CB 3.59Å; G254-W256 VanDerWaalsContact C-N 3.33Å; G254-W256 PolarHBondContact O-N 3.41Å; W256-I258 VanDerWaalsContact C-N 3.27Å; W256-I258 PolarHBondContact O-N 3.21Å; W256-D259 PolarHBondContact O-N 3.11Å; W256-D259 VanDerWaalsContact O-N 3.11Å; W256-I260 WeakPolarHBondContact O-CD1 3.32Å; W256-I260 WeakPolarHBondContact O-CG1 3.35Å; W256-I260 PolarHBondContact O-N 3.37Å; W256-Q265 HydrophobicContact CH2-CG 4.15Å; W256-Q265 HydrophobicContact CZ3-CG 4.13Å; W256-H269 AromaticContact CD1-CG 3.95Å; W256-H269 AromaticContact CD2-CD2 3.59Å; W256-H269 AromaticContact CE2-CD2 3.46Å; W256-H269 VanDerWaalsContact CE2-CD2 3.46Å; W256-H269 AromaticContact CE2-CG 3.96Å; W256-H269 AromaticContact CG-CD2 3.95Å; W256-H269 HydrophobicContact CZ2-CB 4.34Å; W256-H269 AromaticContact CZ2-CD2 3.82Å; W256-H269 VanDerWaalsContact NE1-CB 3.33Å; W256-H269 AromaticContact NE1-CD2 3.75Å; W256-H269 AromaticContact NE1-CG 3.77Å; W256-D271 PolarHBondContact NE1-O 2.86Å; W256-F349 HydrophobicContact CE3-CZ 4.31Å; W256-F349 HydrophobicContact CZ3-CE1 4.17Å; W256-F349 AromaticContact CZ3-CZ 3.76Å; W256-F349 HydrophobicContact CZ3-CZ 3.76Å
257G93.2Very high90.3Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-55.1-42.6175.100000112.6E253 G254 I260 L261E253-G257 PolarHBondContact O-N 2.83Å; G254-G257 PolarHBondContact O-N 2.83Å; G254-G257 VanDerWaalsContact O-N 3.15Å; G257-I260 PolarHBondContact O-N 2.67Å; G257-L261 WeakPolarHBondContact O-CG 3.4Å; G257-L261 PolarHBondContact O-N 2.76Å
258I91.6Very high89.3Confident0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-65.3-46174.8-66.8171.7000111.3G254 G255 W256 I260 L261 L262 Q362 D378 L382G254-I258 PolarHBondContact O-N 3.47Å; G254-I258 VanDerWaalsContact O-N 3.11Å; G255-I258 PolarHBondContact O-N 2.77Å; W256-I258 VanDerWaalsContact C-N 3.27Å; W256-I258 PolarHBondContact O-N 3.21Å; I258-I260 VanDerWaalsContact C-N 3.28Å; I258-I260 PolarHBondContact O-N 3.27Å; I258-L261 WeakPolarHBondContact O-CB 3.41Å; I258-L261 PolarHBondContact O-N 3.37Å; I258-L262 HydrophobicContact CG2-CD1 3.96Å; I258-L262 HydrophobicContact CG2-CG 4.39Å; I258-L262 VanDerWaalsContact O-CG 3.28Å; I258-L262 WeakPolarHBondContact O-CG 3.26Å; I258-L262 PolarHBondContact O-N 3.4Å; I258-Q362 HydrophobicContact CG1-CG 4.21Å; I258-D378 HydrophobicContact CD1-CB 3.58Å; I258-D378 HydrophobicContact CG2-CB 4.5Å; I258-L382 HydrophobicContact CG2-CB 4.36Å; I258-L382 HydrophobicContact CG2-CD1 4.42Å
259D90.4Very high88.8Confident0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-64.3-31.5179-82.2-4.1000113.2G255 W256 L262 G263 K264 Q265 T266 H269 F349G255-D259 PolarHBondContact O-N 3.22Å; G255-D259 VanDerWaalsContact O-N 3.12Å; W256-D259 PolarHBondContact O-N 3.11Å; W256-D259 VanDerWaalsContact O-N 3.11Å; D259-L262 CarbonylContact O-C 3.59Å; D259-L262 PolarHBondContact O-N 3.01Å; D259-G263 PolarHBondContact O-N 2.78Å; D259-K264 WeakPolarHBondContact CB-O 3.45Å; D259-K264 PolarHBondContact O-N 3.12Å; D259-K264 VanDerWaalsContact O-N 3.1Å; D259-Q265 VanDerWaalsContact OD2-CA 3.26Å; D259-Q265 WeakPolarHBondContact OD2-CA 3.44Å; D259-Q265 WeakPolarHBondContact OD2-CG 3.44Å; D259-T266 VanDerWaalsContact CG-N 3.25Å; D259-T266 VanDerWaalsContact OD1-CB 3.28Å; D259-T266 WeakPolarHBondContact OD1-CB 3.46Å; D259-T266 VanDerWaalsContact OD1-CG2 3.26Å; D259-T266 WeakPolarHBondContact OD1-CG2 3.46Å; D259-T266 PolarHBondContact OD1-N 3.46Å; D259-T266 PolarHBondContact OD1-OG1 3.47Å; D259-T266 PolarHBondContact OD2-N 3.37Å; D259-H269 IonicContact OD2-CD2 2.8Å; D259-H269 IonicContact OD2-CE1 3.98Å; D259-H269 IonicContact OD2-NE2 3.44Å; D259-H269 PolarHBondContact OD2-NE2 3.1Å; D259-F349 HydrophobicContact CB-CE2 4.19Å; D259-F349 WeakPolarHBondContact O-CD2 3.33Å
260I93.1Very high88.3Confident0 Ų039 Ų390%019%0.185CC..Hα-helixtrans-63.5-48.2171.9-67.3159000110.9F236 V252 W256 G257 I258 L262 G263 A347 F349 V354 C356F236-I260 HydrophobicContact CE1-CD1 4.35Å; F236-I260 HydrophobicContact CE1-CG1 4.27Å; F236-I260 HydrophobicContact CE2-CD1 4.15Å; F236-I260 HydrophobicContact CZ-CD1 3.48Å; F236-I260 VanDerWaalsContact CZ-CD1 3.48Å; F236-I260 HydrophobicContact CZ-CG1 3.87Å; V252-I260 HydrophobicContact CB-CD1 3.54Å; V252-I260 HydrophobicContact CG1-CD1 3.71Å; V252-I260 HydrophobicContact CG2-CD1 3.77Å; W256-I260 WeakPolarHBondContact O-CD1 3.32Å; W256-I260 WeakPolarHBondContact O-CG1 3.35Å; W256-I260 PolarHBondContact O-N 3.37Å; G257-I260 PolarHBondContact O-N 2.67Å; I258-I260 VanDerWaalsContact C-N 3.28Å; I258-I260 PolarHBondContact O-N 3.27Å; I260-L262 PolarHBondContact O-N 3.45Å; I260-G263 WeakPolarHBondContact O-CA 3.28Å; I260-G263 PolarHBondContact O-N 2.72Å; I260-A347 HydrophobicContact CG2-CB 4.01Å; I260-F349 HydrophobicContact CB-CB 4.3Å; I260-F349 HydrophobicContact CG1-CB 4.07Å; I260-F349 HydrophobicContact CG1-CD2 4.21Å; I260-F349 HydrophobicContact CG1-CG 4.1Å; I260-F349 HydrophobicContact CG2-CB 4.19Å; I260-V354 HydrophobicContact CD1-CB 4.33Å; I260-V354 HydrophobicContact CD1-CG1 3.82Å; I260-V354 HydrophobicContact CG1-CB 4.48Å; I260-V354 HydrophobicContact CG1-CG1 4.43Å; I260-V354 HydrophobicContact CG2-CB 4.06Å; I260-C356 HydrophobicContact CB-CB 4.22Å; I260-C356 HydrophobicContact CD1-CB 4Å; I260-C356 HydrophobicContact CG2-CB 3.83Å
261L93.4Very high88Confident17 Ų1740.4 Ų40.49%0.08919%0.193CC..Hα-helixtrans-60.1-36.7175.2-67.6169.7000111.7G257 I258 G263 A347 V359 Q362 L382 Y386G257-L261 WeakPolarHBondContact O-CG 3.4Å; G257-L261 PolarHBondContact O-N 2.76Å; I258-L261 WeakPolarHBondContact O-CB 3.41Å; I258-L261 PolarHBondContact O-N 3.37Å; L261-G263 VanDerWaalsContact C-N 3.28Å; L261-G263 PolarHBondContact O-N 3.37Å; L261-A347 HydrophobicContact CD2-CB 4.37Å; L261-V359 HydrophobicContact CD1-CG2 4Å; L261-V359 HydrophobicContact CD2-CG2 4.3Å; L261-Q362 HydrophobicContact CD1-CG 3.94Å; L261-L382 HydrophobicContact CB-CD1 4.47Å; L261-L382 HydrophobicContact CD1-CD1 3.82Å; L261-Y386 HydrophobicContact CB-CE2 4.26Å; L261-Y386 PolarHBondContact O-OH 3.36Å
262L90.2Very high87.9Confident36 Ų3638.6 Ų38.619%0.18819%0.186CC..Hα-helixtrans-78.2-10.6176.4-61.7178.7000113.7I258 D259 I260 K264 T266 K381 S385 Y386I258-L262 HydrophobicContact CG2-CD1 3.96Å; I258-L262 HydrophobicContact CG2-CG 4.39Å; I258-L262 VanDerWaalsContact O-CG 3.28Å; I258-L262 WeakPolarHBondContact O-CG 3.26Å; I258-L262 PolarHBondContact O-N 3.4Å; D259-L262 CarbonylContact O-C 3.59Å; D259-L262 PolarHBondContact O-N 3.01Å; I260-L262 PolarHBondContact O-N 3.45Å; L262-K264 VanDerWaalsContact C-N 3.26Å; L262-K264 PolarHBondContact O-N 2.97Å; L262-T266 HydrophobicContact CD1-CG2 3.76Å; L262-K381 HydrophobicContact CD1-CB 4.02Å; L262-S385 VanDerWaalsContact CD2-CB 3.45Å; L262-S385 WeakPolarHBondContact CD2-OG 3.26Å; L262-Y386 HydrophobicContact CD2-CE2 4.44Å
263G86Confident87.9Confident29 Ų2939.7 Ų39.730%0.29919%0.192SC..THydrogen-bonded Turntrans71.610179.500000115.8D259 I260 L261 I348D259-G263 PolarHBondContact O-N 2.78Å; I260-G263 WeakPolarHBondContact O-CA 3.28Å; I260-G263 PolarHBondContact O-N 2.72Å; L261-G263 VanDerWaalsContact C-N 3.28Å; L261-G263 PolarHBondContact O-N 3.37Å; G263-I348 VanDerWaalsContact CA-O 3.27Å; G263-I348 WeakPolarHBondContact CA-O 3.37Å
264K82.9Confident88.1Confident135 Ų13538.6 Ų38.659%0.58719%0.187SC*.SBendtrans-157.6149.8-179.866.9-177.9-179.1-179.80111.1D259 L262 T266 F349D259-K264 WeakPolarHBondContact CB-O 3.45Å; D259-K264 PolarHBondContact O-N 3.12Å; D259-K264 VanDerWaalsContact O-N 3.1Å; L262-K264 VanDerWaalsContact C-N 3.26Å; L262-K264 PolarHBondContact O-N 2.97Å; K264-T266 HydrophobicContact CG-CG2 4.39Å; K264-T266 PolarHBondContact O-N 3.17Å; K264-F349 VanDerWaalsContact C-CE2 3.41Å
265Q84Confident88.3Confident58 Ų5838.3 Ų38.327%0.27118%0.184SC..  trans-68.3129.9172.6-165.1177.41.600110.3W256 D259 R267 F349W256-Q265 HydrophobicContact CH2-CG 4.15Å; W256-Q265 HydrophobicContact CZ3-CG 4.13Å; D259-Q265 VanDerWaalsContact OD2-CA 3.26Å; D259-Q265 WeakPolarHBondContact OD2-CA 3.44Å; D259-Q265 WeakPolarHBondContact OD2-CG 3.44Å; Q265-R267 VanDerWaalsContact CG-O 3.24Å; Q265-R267 WeakPolarHBondContact CG-O 3.39Å; Q265-R267 PolarHBondContact NE2-O 3.49Å; Q265-F349 HydrophobicContact CB-CZ 4.21Å
266T82.2Confident88.6Confident45 Ų4538 Ų3828%0.27618%0.18SC..  trans-108.2-14.3-178.368.60000113.6D259 L262 K264 K381D259-T266 VanDerWaalsContact CG-N 3.25Å; D259-T266 VanDerWaalsContact OD1-CB 3.28Å; D259-T266 WeakPolarHBondContact OD1-CB 3.46Å; D259-T266 VanDerWaalsContact OD1-CG2 3.26Å; D259-T266 WeakPolarHBondContact OD1-CG2 3.46Å; D259-T266 PolarHBondContact OD1-N 3.46Å; D259-T266 PolarHBondContact OD1-OG1 3.47Å; D259-T266 PolarHBondContact OD2-N 3.37Å; L262-T266 HydrophobicContact CD1-CG2 3.76Å; K264-T266 HydrophobicContact CG-CG2 4.39Å; K264-T266 PolarHBondContact O-N 3.17Å; T266-K381 HydrophobicContact CG2-CD 4.36Å; T266-K381 PolarHBondContact OG1-NZ 2.89Å
267R80.3Confident88.6Confident62 Ų6238.6 Ų38.623%0.23418%0.184CC..SBendtrans-161.8166.3173.160.7173.7-175.478.2-0.8111.1Q265 H269 I374 D378Q265-R267 VanDerWaalsContact CG-O 3.24Å; Q265-R267 WeakPolarHBondContact CG-O 3.39Å; Q265-R267 PolarHBondContact NE2-O 3.49Å; R267-H269 PolarHBondContact NH1-ND1 3.34Å; R267-H269 PolarHBondContact NH2-ND1 3.47Å; R267-H269 PolarHBondContact O-CD2 2.98Å; R267-H269 PolarHBondContact O-NE2 2.88Å; R267-I374 VanDerWaalsContact CZ-CG1 3.46Å; R267-D378 IonicContact CZ-OD2 3.24Å; R267-D378 VanDerWaalsContact CZ-OD2 3.25Å; R267-D378 IonicContact NE-OD1 3.99Å; R267-D378 PolarHBondContact NE-OD1 2.86Å; R267-D378 VanDerWaalsContact NE-OD1 3.1Å; R267-D378 IonicContact NE-OD2 2.64Å; R267-D378 PolarHBondContact NE-OD2 3.02Å; R267-D378 IonicContact NH2-OD2 3.51Å; R267-D378 PolarHBondContact NH2-OD2 3.46Å
268E75Confident88.6Confident160 Ų16040.2 Ų40.275%0.74820%0.198SC*.  trans-62.2140.5164.5-66.7-62.1134.600110.6
269H82.9Confident88.7Confident25 Ų2545 Ų4512%0.11623%0.231CC..  trans-117142.6176.6-62.6-67.2000109.9G255 W256 D259 R267G255-H269 PolarHBondContact O-CE1 3.35Å; G255-H269 VanDerWaalsContact O-CE1 3.27Å; W256-H269 AromaticContact CD1-CG 3.95Å; W256-H269 AromaticContact CD2-CD2 3.59Å; W256-H269 AromaticContact CE2-CD2 3.46Å; W256-H269 VanDerWaalsContact CE2-CD2 3.46Å; W256-H269 AromaticContact CE2-CG 3.96Å; W256-H269 AromaticContact CG-CD2 3.95Å; W256-H269 HydrophobicContact CZ2-CB 4.34Å; W256-H269 AromaticContact CZ2-CD2 3.82Å; W256-H269 VanDerWaalsContact NE1-CB 3.33Å; W256-H269 AromaticContact NE1-CD2 3.75Å; W256-H269 AromaticContact NE1-CG 3.77Å; D259-H269 IonicContact OD2-CD2 2.8Å; D259-H269 IonicContact OD2-CE1 3.98Å; D259-H269 IonicContact OD2-NE2 3.44Å; D259-H269 PolarHBondContact OD2-NE2 3.1Å; R267-H269 PolarHBondContact NH1-ND1 3.34Å; R267-H269 PolarHBondContact NH2-ND1 3.47Å; R267-H269 PolarHBondContact O-CD2 2.98Å; R267-H269 PolarHBondContact O-NE2 2.88Å
270R82.5Confident88.9Confident147 Ų14745.8 Ų45.856%0.55524%0.238SC*.SBendtrans-78.7-38.3-178.8174.3-174.4168.8-143.2-13111.4E305 F313R270-E305 IonicContact NH2-OE1 3.8Å; R270-F313 HydrophobicContact CG-CD2 4.06Å
271D88.6Confident89Confident36 Ų3647.6 Ų47.619%0.19325%0.247CC..EExtended strand (participates in β ladder)trans-132.4165-167.728.820.6000110.3W256 F313W256-D271 PolarHBondContact NE1-O 2.86Å; D271-F313 CarbonylContact C-O 3.33Å; D271-F313 VanDerWaalsContact CA-O 3.27Å; D271-F313 WeakPolarHBondContact CA-O 3.36Å; D271-F313 HydrophobicContact CB-CB 3.79Å
272I93.5Very high89.2Confident5 Ų551.5 Ų51.53%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-117.2119.4164.9-53.8159.4000106.2F236 M239 I274 F313 L314 D315F236-I272 HydrophobicContact CB-CD1 4.31Å; F236-I272 HydrophobicContact CB-CG1 4.45Å; F236-I272 HydrophobicContact CD2-CG1 4.28Å; F236-I272 HydrophobicContact CD2-CG2 3.91Å; F236-I272 HydrophobicContact CE2-CG2 4.3Å; M239-I272 HydrophobicContact CB-CD1 3.98Å; M239-I272 HydrophobicContact CG-CD1 4.43Å; I272-I274 HydrophobicContact CG2-CD1 3.68Å; I272-I274 HydrophobicContact CG2-CG1 3.88Å; I272-F313 PolarHBondContact N-O 3.49Å; I272-L314 HydrophobicContact CB-CD1 3.98Å; I272-L314 HydrophobicContact CG2-CD1 4.29Å; I272-L314 WeakPolarHBondContact O-CA 3.1Å; I272-D315 PolarHBondContact O-N 3.35Å
273D94.3Very high89.5Confident23 Ų2354.1 Ų54.112%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-92.6119.5176.8-49.3-78.2000109V252 E253 D315V252-D273 WeakPolarHBondContact CA-O 3.38Å; E253-D273 HydrophobicContact CB-CB 3.88Å; E253-D273 PolarHBondContact N-O 3.45Å; D273-D315 WeakPolarHBondContact CA-O 3.31Å
274I95.6Very high90Very high0 Ų052.7 Ų52.70%027%0.268CS..EExtended strand (participates in β ladder)trans-123.5113.7-176.3-61-63.3000110.2L243 Y250 V252 I272 F276 L314 D315 L316 H317L243-I274 HydrophobicContact CD1-CD1 3.96Å; L243-I274 HydrophobicContact CD1-CG1 4.24Å; L243-I274 HydrophobicContact CD1-CG2 4Å; Y250-I274 HydrophobicContact CD2-CD1 4.43Å; V252-I274 HydrophobicContact CG2-CD1 3.89Å; I272-I274 HydrophobicContact CG2-CD1 3.68Å; I272-I274 HydrophobicContact CG2-CG1 3.88Å; I274-F276 HydrophobicContact CG2-CB 4.31Å; I274-L314 HydrophobicContact CG1-CD1 3.73Å; I274-D315 PolarHBondContact N-O 3.29Å; I274-L316 HydrophobicContact CB-CD2 4.03Å; I274-L316 HydrophobicContact CG2-CD2 4.37Å; I274-H317 PolarHBondContact O-N 3.01Å
275D93.7Very high90.7Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-79.1134.9161.5-60.2-30.1000108.6Y250 W251 H317 F319 F344 V357Y250-D275 CarbonylContact C-O 3.52Å; Y250-D275 WeakPolarHBondContact CA-O 3.29Å; Y250-D275 WeakPolarHBondContact CB-O 3.45Å; W251-D275 HydrophobicContact CB-CB 4.36Å; W251-D275 PolarHBondContact N-O 3.02Å; W251-D275 PolarHBondContact O-N 3.31Å; D275-H317 WeakPolarHBondContact CA-O 3.37Å; D275-H317 VanDerWaalsContact OD1-CB 3.31Å; D275-H317 WeakPolarHBondContact OD1-CB 3.48Å; D275-H317 IonicContact OD1-CG 3.11Å; D275-F319 HydrophobicContact CB-CD2 3.79Å; D275-F319 HydrophobicContact CB-CE2 3.48Å; D275-F319 VanDerWaalsContact CB-CE2 3.48Å; D275-F319 HydrophobicContact CB-CZ 4.04Å; D275-F319 WeakPolarHBondContact OD1-CE2 3.36Å; D275-F319 WeakPolarHBondContact OD1-CZ 3.28Å; D275-F344 HydrophobicContact CB-CE1 4.45Å; D275-V357 WeakPolarHBondContact OD2-CG2 3.09Å
276F94.4Very high91.4Very high2 Ų249.8 Ų49.81%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-147.3158.5-179.871.9-80.4000112.8I248 D249 I274 A278 E281 L284 L316 H317 P318 F319I248-F276 HydrophobicContact CG2-CB 4.19Å; D249-F276 WeakPolarHBondContact O-CA 3.45Å; I274-F276 HydrophobicContact CG2-CB 4.31Å; F276-A278 PolarHBondContact O-N 3.15Å; F276-A278 VanDerWaalsContact O-N 3.15Å; F276-E281 HydrophobicContact CE2-CB 3.76Å; F276-E281 HydrophobicContact CE2-CG 4.19Å; F276-E281 HydrophobicContact CZ-CB 4.14Å; F276-E281 HydrophobicContact CZ-CG 4.06Å; F276-L284 HydrophobicContact CB-CD2 4.45Å; F276-L284 HydrophobicContact CD1-CD2 3.95Å; F276-L284 HydrophobicContact CD2-CD2 3.69Å; F276-L284 HydrophobicContact CE1-CD2 4.12Å; F276-L284 HydrophobicContact CE2-CD2 3.88Å; F276-L284 HydrophobicContact CG-CD2 3.74Å; F276-L284 HydrophobicContact CZ-CD2 4.07Å; F276-L316 HydrophobicContact CD1-CB 4.39Å; F276-L316 HydrophobicContact CE1-CB 3.85Å; F276-H317 WeakPolarHBondContact CD1-O 3.37Å; F276-H317 PolarHBondContact N-O 2.94Å; F276-P318 HydrophobicContact CE1-CB 4.11Å; F276-P318 HydrophobicContact CE1-CG 3.88Å; F276-P318 HydrophobicContact CE2-CB 4.39Å; F276-P318 HydrophobicContact CZ-CB 3.8Å; F276-P318 HydrophobicContact CZ-CG 3.71Å; F276-F319 PolarHBondContact O-N 2.86Å
277D92.7Very high92Very high30 Ų3049.8 Ų49.816%0.1625%0.253CS..EExtended strand (participates in β ladder)trans-62.2116.5174.2-176.51.1000110.7D249 S279 A280 L321D249-D277 HydrophobicContact CB-CB 4.43Å; D249-D277 PolarHBondContact O-N 2.82Å; D249-D277 VanDerWaalsContact O-N 3.1Å; D277-S279 PolarHBondContact O-N 3.32Å; D277-S279 WeakPolarHBondContact OD1-CB 3.44Å; D277-S279 PolarHBondContact OD1-N 2.99Å; D277-S279 PolarHBondContact OD1-OG 3.05Å; D277-S279 WeakPolarHBondContact OD2-CB 3.39Å; D277-S279 PolarHBondContact OD2-OG 3.27Å; D277-A280 WeakPolarHBondContact O-CB 3.21Å; D277-A280 PolarHBondContact O-N 3.34Å; D277-L321 HydrophobicContact CB-CD1 3.68Å; D277-L321 HydrophobicContact CB-CG 4.29Å
278A93.4Very high92.8Very high35 Ų3546.8 Ų46.829%0.28924%0.242SC..G310 helixtrans-56.3-21.5177.800000112.9F276 A280 E281 P318 F319F276-A278 PolarHBondContact O-N 3.15Å; F276-A278 VanDerWaalsContact O-N 3.15Å; A278-A280 PolarHBondContact O-N 3.34Å; A278-E281 VanDerWaalsContact O-CB 3.25Å; A278-E281 WeakPolarHBondContact O-CB 3.44Å; A278-E281 PolarHBondContact O-N 2.99Å; A278-P318 HydrophobicContact CB-CB 3.87Å; A278-F319 VanDerWaalsContact CB-O 3.3Å; A278-F319 WeakPolarHBondContact CB-O 3.19Å; A278-F319 PolarHBondContact N-O 3Å
279S93.5Very high93.8Very high99 Ų9943.5 Ų43.569%0.69223%0.228SC*.G310 helixtrans-63.5-27.3173.887.60000113.4D277D277-S279 PolarHBondContact O-N 3.32Å; D277-S279 WeakPolarHBondContact OD1-CB 3.44Å; D277-S279 PolarHBondContact OD1-N 2.99Å; D277-S279 PolarHBondContact OD1-OG 3.05Å; D277-S279 WeakPolarHBondContact OD2-CB 3.39Å; D277-S279 PolarHBondContact OD2-OG 3.27Å
280A95.3Very high94.2Very high17 Ų1750.2 Ų50.214%0.1426%0.26CS..G310 helixtrans-90.3-117800000113.6I248 D277 A278 T282 E283 L284I248-A280 HydrophobicContact CG1-CB 4.32Å; I248-A280 HydrophobicContact CG2-CB 4.22Å; D277-A280 WeakPolarHBondContact O-CB 3.21Å; D277-A280 PolarHBondContact O-N 3.34Å; A278-A280 PolarHBondContact O-N 3.34Å; A280-T282 VanDerWaalsContact C-N 3.34Å; A280-T282 PolarHBondContact O-N 3.29Å; A280-E283 PolarHBondContact O-N 3.45Å; A280-E283 VanDerWaalsContact O-N 3.13Å; A280-L284 WeakPolarHBondContact O-CB 3.39Å; A280-L284 PolarHBondContact O-N 3.11Å
281E95.6Very high94.5Very high39 Ų3946.1 Ų46.118%0.18225%0.249CC..Hα-helixtrans-55-44.7-171.1-176.3177.4-140.900113.3F276 A278 E283 L284 M285 R300F276-E281 HydrophobicContact CE2-CB 3.76Å; F276-E281 HydrophobicContact CE2-CG 4.19Å; F276-E281 HydrophobicContact CZ-CB 4.14Å; F276-E281 HydrophobicContact CZ-CG 4.06Å; A278-E281 VanDerWaalsContact O-CB 3.25Å; A278-E281 WeakPolarHBondContact O-CB 3.44Å; A278-E281 PolarHBondContact O-N 2.99Å; E281-E283 PolarHBondContact O-N 2.95Å; E281-L284 PolarHBondContact O-N 2.87Å; E281-M285 HydrophobicContact CG-CG 4.26Å; E281-M285 WeakPolarHBondContact O-CB 3.35Å; E281-M285 WeakPolarHBondContact O-CG 3.47Å; E281-M285 PolarHBondContact O-N 3.23Å; E281-R300 WeakPolarHBondContact OE1-CD 3.27Å; E281-R300 WeakPolarHBondContact OE1-CG 3.49Å
282T96.2Very high94.5Very high99 Ų9946 Ų4661%0.60726%0.256SS*.Hα-helixtrans-63.3-45.1-179.2-58.70000111.4A280 E286A280-T282 VanDerWaalsContact C-N 3.34Å; A280-T282 PolarHBondContact O-N 3.29Å; T282-E286 VanDerWaalsContact O-CG 3.32Å; T282-E286 WeakPolarHBondContact O-CG 3.38Å; T282-E286 PolarHBondContact O-N 2.84Å; T282-E286 VanDerWaalsContact O-N 3.12Å
283E97.1Very high94.5Very high90 Ų9045.9 Ų45.942%0.42126%0.255SS..Hα-helixtrans-66.8-44.5179.1179.7175.3177.200111.6A280 E281 M285 E286 K287A280-E283 PolarHBondContact O-N 3.45Å; A280-E283 VanDerWaalsContact O-N 3.13Å; E281-E283 PolarHBondContact O-N 2.95Å; E283-M285 PolarHBondContact O-N 2.98Å; E283-E286 PolarHBondContact O-N 2.9Å; E283-K287 HydrophobicContact CG-CD 4.19Å; E283-K287 WeakPolarHBondContact O-CG 3.48Å; E283-K287 PolarHBondContact O-N 2.93Å; E283-K287 WeakPolarHBondContact OE1-CE 3.44Å; E283-K287 IonicContact OE1-NZ 2.99Å; E283-K287 PolarHBondContact OE1-NZ 2.94Å
284L97.3Very high94.5Very high0 Ų050.5 Ų50.50%028%0.276CS..Hα-helixtrans-58.4-49178.617954.8000111.2L243 W246 I248 F276 A280 E281 E286 K287 L288 L316L243-L284 HydrophobicContact CD2-CD1 3.8Å; W246-L284 HydrophobicContact CE3-CD1 4.21Å; W246-L284 HydrophobicContact CZ3-CD1 3.98Å; I248-L284 HydrophobicContact CD1-CB 3.84Å; I248-L284 HydrophobicContact CD1-CD1 3.61Å; I248-L284 HydrophobicContact CD1-CG 4.19Å; F276-L284 HydrophobicContact CB-CD2 4.45Å; F276-L284 HydrophobicContact CD1-CD2 3.95Å; F276-L284 HydrophobicContact CD2-CD2 3.69Å; F276-L284 HydrophobicContact CE1-CD2 4.12Å; F276-L284 HydrophobicContact CE2-CD2 3.88Å; F276-L284 HydrophobicContact CG-CD2 3.74Å; F276-L284 HydrophobicContact CZ-CD2 4.07Å; A280-L284 WeakPolarHBondContact O-CB 3.39Å; A280-L284 PolarHBondContact O-N 3.11Å; E281-L284 PolarHBondContact O-N 2.87Å; L284-E286 PolarHBondContact O-N 3.26Å; L284-K287 PolarHBondContact O-N 2.84Å; L284-L288 HydrophobicContact CD1-CD1 3.68Å; L284-L288 HydrophobicContact CD1-CG 3.95Å; L284-L288 HydrophobicContact CG-CD1 3.85Å; L284-L288 HydrophobicContact CG-CG 4.48Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 2.8Å; L284-L316 HydrophobicContact CD2-CD1 4.37Å; L284-L316 HydrophobicContact CD2-CD2 4.15Å
285M97.3Very high94.6Very high14 Ų1453.8 Ų53.87%0.06929%0.293CS..Hα-helixtrans-64.4-42.2-178.5-68.7-55.6-57.700112E281 E283 L288 L289 I295 V304 M306 L316E281-M285 HydrophobicContact CG-CG 4.26Å; E281-M285 WeakPolarHBondContact O-CB 3.35Å; E281-M285 WeakPolarHBondContact O-CG 3.47Å; E281-M285 PolarHBondContact O-N 3.23Å; E283-M285 PolarHBondContact O-N 2.98Å; M285-L288 PolarHBondContact O-N 2.63Å; M285-L289 WeakPolarHBondContact O-CB 3.48Å; M285-L289 WeakPolarHBondContact O-CD1 3.37Å; M285-L289 WeakPolarHBondContact O-CG 3.37Å; M285-L289 PolarHBondContact O-N 3.38Å; M285-I295 HydrophobicContact CE-CD1 3.78Å; M285-I295 HydrophobicContact CE-CG1 3.97Å; M285-V304 HydrophobicContact CE-CG1 3.94Å; M285-V304 HydrophobicContact SD-CG1 4.44Å; M285-M306 HydrophobicContact CE-CE 3.75Å; M285-M306 HydrophobicContact CE-CG 4.4Å; M285-M306 HydrophobicContact CE-SD 3.53Å; M285-M306 VanDerWaalsContact CE-SD 3.53Å; M285-M306 HydrophobicContact SD-SD 3.97Å; M285-L316 HydrophobicContact SD-CD1 3.78Å
286E97.4Very high94.7Very high118 Ų11857.8 Ų57.855%0.55131%0.313SS*.Hα-helixtrans-58.9-49.1175.8-76.3176.7177.100111.1T282 E283 L284 L288 L289 E290T282-E286 VanDerWaalsContact O-CG 3.32Å; T282-E286 WeakPolarHBondContact O-CG 3.38Å; T282-E286 PolarHBondContact O-N 2.84Å; T282-E286 VanDerWaalsContact O-N 3.12Å; E283-E286 PolarHBondContact O-N 2.9Å; L284-E286 PolarHBondContact O-N 3.26Å; E286-L288 PolarHBondContact O-N 3.06Å; E286-L289 PolarHBondContact O-N 3.31Å; E286-E290 WeakPolarHBondContact O-CG 3.49Å; E286-E290 PolarHBondContact O-N 3.5Å
287K96.6Very high94.8Very high44 Ų4459.4 Ų59.419%0.19132%0.324CS..Hα-helixtrans-65.9-39.6-179.3-68.4-175.3-176.7-1790113.3W246 E283 L284 E290 L291W246-K287 HydrophobicContact CB-CD 4.28Å; W246-K287 VanDerWaalsContact CD1-NZ 3.3Å; W246-K287 HydrophobicContact CD2-CB 4.29Å; W246-K287 HydrophobicContact CD2-CD 3.39Å; W246-K287 HydrophobicContact CD2-CG 4.49Å; W246-K287 VanDerWaalsContact CE2-CD 3.48Å; W246-K287 HydrophobicContact CE3-CB 4.24Å; W246-K287 HydrophobicContact CE3-CD 3.95Å; W246-K287 HydrophobicContact CG-CD 3.53Å; W246-K287 VanDerWaalsContact CG-NZ 3.3Å; W246-K287 HydrophobicContact CH2-CB 3.61Å; W246-K287 HydrophobicContact CH2-CD 4.47Å; W246-K287 HydrophobicContact CZ2-CB 3.7Å; W246-K287 HydrophobicContact CZ2-CD 4.03Å; W246-K287 HydrophobicContact CZ2-CG 4.42Å; W246-K287 HydrophobicContact CZ3-CB 3.93Å; W246-K287 HydrophobicContact CZ3-CD 4.45Å; E283-K287 HydrophobicContact CG-CD 4.19Å; E283-K287 WeakPolarHBondContact O-CG 3.48Å; E283-K287 PolarHBondContact O-N 2.93Å; E283-K287 WeakPolarHBondContact OE1-CE 3.44Å; E283-K287 IonicContact OE1-NZ 2.99Å; E283-K287 PolarHBondContact OE1-NZ 2.94Å; L284-K287 PolarHBondContact O-N 2.84Å; K287-E290 PolarHBondContact O-N 2.96Å; K287-L291 WeakPolarHBondContact O-CG 3.41Å; K287-L291 PolarHBondContact O-N 3.14Å
288L96Very high94.9Very high0 Ų061.7 Ų61.70%034%0.336CS..Hα-helixtrans-65.4-40.6176.8-72.1172.2000111.9M239 W246 L284 M285 E286 E290 L291 G292 Y293 M306 L314 L316M239-L288 HydrophobicContact CE-CD2 3.88Å; M239-L288 HydrophobicContact SD-CD2 4.27Å; W246-L288 HydrophobicContact CH2-CD2 4.28Å; W246-L288 HydrophobicContact CZ3-CD2 4.21Å; W246-L288 HydrophobicContact CZ3-CG 4.39Å; L284-L288 HydrophobicContact CD1-CD1 3.68Å; L284-L288 HydrophobicContact CD1-CG 3.95Å; L284-L288 HydrophobicContact CG-CD1 3.85Å; L284-L288 HydrophobicContact CG-CG 4.48Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 2.8Å; M285-L288 PolarHBondContact O-N 2.63Å; E286-L288 PolarHBondContact O-N 3.06Å; L288-E290 VanDerWaalsContact C-N 3.34Å; L288-L291 PolarHBondContact O-N 3.03Å; L288-G292 PolarHBondContact O-N 3.07Å; L288-Y293 HydrophobicContact CB-CD2 4.41Å; L288-Y293 HydrophobicContact CB-CG 4.49Å; L288-Y293 HydrophobicContact CD2-CD2 3.86Å; L288-Y293 HydrophobicContact CD2-CE2 4.01Å; L288-Y293 HydrophobicContact CD2-CG 4.4Å; L288-Y293 WeakPolarHBondContact O-CB 3.49Å; L288-Y293 PolarHBondContact O-N 3.11Å; L288-M306 HydrophobicContact CB-CE 3.99Å; L288-M306 HydrophobicContact CB-SD 3.92Å; L288-M306 HydrophobicContact CD1-SD 3.68Å; L288-M306 HydrophobicContact CG-SD 4.45Å; L288-L314 HydrophobicContact CD1-CD2 3.68Å; L288-L314 HydrophobicContact CD2-CD2 3.8Å; L288-L314 HydrophobicContact CG-CD2 4.42Å; L288-L316 HydrophobicContact CD1-CD1 3.57Å; L288-L316 HydrophobicContact CD1-CD2 4.48Å
289L95.7Very high95Very high90 Ų9064.7 Ų64.747%0.47134%0.344SS..Hα-helixtrans-63-40.3173.7-71.2167.2000111.6M285 E286 L291 G292 I295 M306M285-L289 WeakPolarHBondContact O-CB 3.48Å; M285-L289 WeakPolarHBondContact O-CD1 3.37Å; M285-L289 WeakPolarHBondContact O-CG 3.37Å; M285-L289 PolarHBondContact O-N 3.38Å; E286-L289 PolarHBondContact O-N 3.31Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.98Å; L289-G292 PolarHBondContact O-N 2.67Å; L289-I295 HydrophobicContact CD2-CG1 4.47Å; L289-M306 HydrophobicContact CD2-CE 4.02Å; L289-M306 HydrophobicContact CG-CE 4.16Å
290E92.5Very high95Very high167 Ų16765.2 Ų65.278%0.7833%0.331SS*.Hα-helixtrans-62.8-34.7174.2-74.4-178.7173.300112.7E286 K287 L288 G292E286-E290 WeakPolarHBondContact O-CG 3.49Å; E286-E290 PolarHBondContact O-N 3.5Å; K287-E290 PolarHBondContact O-N 2.96Å; L288-E290 VanDerWaalsContact C-N 3.34Å; E290-G292 PolarHBondContact O-N 3.25Å
291L87.9Confident94.8Very high60 Ų6068 Ų6831%0.31435%0.347SS..THydrogen-bonded Turntrans-72.7-6172.1-69.5-178.9000113.8W238 L242 W246 K287 L288 L289 Y293 H308W238-L291 HydrophobicContact CH2-CD1 3.78Å; W238-L291 HydrophobicContact CZ2-CD1 3.99Å; W238-L291 HydrophobicContact CZ2-CD2 4.43Å; L242-L291 HydrophobicContact CD1-CD1 3.41Å; L242-L291 VanDerWaalsContact CD1-CD1 3.41Å; L242-L291 HydrophobicContact CD2-CD1 4.48Å; W246-L291 HydrophobicContact CH2-CD1 3.44Å; W246-L291 VanDerWaalsContact CH2-CD1 3.44Å; W246-L291 HydrophobicContact CH2-CG 4.32Å; W246-L291 HydrophobicContact CZ2-CD1 3.7Å; W246-L291 HydrophobicContact CZ2-CG 4.33Å; K287-L291 WeakPolarHBondContact O-CG 3.41Å; K287-L291 PolarHBondContact O-N 3.14Å; L288-L291 PolarHBondContact O-N 3.03Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.98Å; L291-Y293 HydrophobicContact CB-CD2 4.34Å; L291-H308 PolarHBondContact O-CD2 2.78Å; L291-H308 PolarHBondContact O-NE2 2.79Å
292G87.9Confident94.6Very high34 Ų3467.1 Ų67.135%0.35135%0.345SS..THydrogen-bonded Turntrans90.211.4178.600000114.9L288 L289 E290L288-G292 PolarHBondContact O-N 3.07Å; L289-G292 PolarHBondContact O-N 2.67Å; E290-G292 PolarHBondContact O-N 3.25Å
293Y94.1Very high94.4Very high3 Ų365.5 Ų65.51%0.01233%0.328CS..  trans-63.9143.1166.9-82.6-96.2000110.2W238 M239 L288 L291 M306 Y307 H308 H311 L314W238-Y293 AromaticContact CH2-CE2 3.99Å; W238-Y293 HydrophobicContact CH2-CE2 3.99Å; W238-Y293 AromaticContact CZ3-CE2 3.84Å; W238-Y293 HydrophobicContact CZ3-CE2 3.84Å; M239-Y293 HydrophobicContact CE-CE2 3.83Å; M239-Y293 WeakPolarHBondContact CE-OH 3.07Å; L288-Y293 HydrophobicContact CB-CD2 4.41Å; L288-Y293 HydrophobicContact CB-CG 4.49Å; L288-Y293 HydrophobicContact CD2-CD2 3.86Å; L288-Y293 HydrophobicContact CD2-CE2 4.01Å; L288-Y293 HydrophobicContact CD2-CG 4.4Å; L288-Y293 WeakPolarHBondContact O-CB 3.49Å; L288-Y293 PolarHBondContact O-N 3.11Å; L291-Y293 HydrophobicContact CB-CD2 4.34Å; Y293-M306 HydrophobicContact CD1-CB 3.83Å; Y293-M306 HydrophobicContact CG-CB 4.44Å; Y293-Y307 WeakPolarHBondContact CA-O 3.41Å; Y293-H308 HydrophobicContact CD1-CB 3.65Å; Y293-H308 HydrophobicContact CD2-CB 3.98Å; Y293-H308 HydrophobicContact CE1-CB 3.53Å; Y293-H308 HydrophobicContact CE2-CB 3.87Å; Y293-H308 HydrophobicContact CG-CB 3.87Å; Y293-H311 VanDerWaalsContact OH-CB 3.23Å; Y293-H311 WeakPolarHBondContact OH-CB 3.46Å; Y293-L314 HydrophobicContact CD1-CB 4.38Å; Y293-L314 HydrophobicContact CE1-CB 3.79Å; Y293-L314 HydrophobicContact CE1-CD2 4.21Å
294Q93.9Very high94.4Very high119 Ų11961.3 Ų61.356%0.55631%0.308SS*.EExtended strand (participates in β ladder)trans-114136176.4-60.8-179.84.900109.3I296 M306 Y307Q294-I296 PolarHBondContact O-N 2.97Å; Q294-M306 CarbonylContact O-C 3.52Å; Q294-M306 WeakPolarHBondContact O-CA 3.37Å; Q294-Y307 PolarHBondContact N-O 3.15Å; Q294-Y307 PolarHBondContact O-N 3.48Å
295I97.6Very high94.4Very high69 Ų6962.2 Ų62.235%0.35431%0.312SS..EExtended strand (participates in β ladder)trans-70.3121.4174.2-60.5174.1000108.5M285 L289 D298 V304 M306M285-I295 HydrophobicContact CE-CD1 3.78Å; M285-I295 HydrophobicContact CE-CG1 3.97Å; L289-I295 HydrophobicContact CD2-CG1 4.47Å; I295-D298 HydrophobicContact CG2-CB 3.95Å; I295-V304 HydrophobicContact CG1-CG1 4.45Å; I295-V304 HydrophobicContact CG2-CG1 4.09Å; I295-M306 HydrophobicContact CG1-CE 3.81Å; I295-M306 HydrophobicContact CG1-CG 4.39Å
296I96.1Very high94.4Very high84 Ų8461.6 Ų61.643%0.43131%0.309SS..EExtended strand (participates in β ladder)trans-96.7-46.1175.9-58.5-54.4000110.2Q294 E305 F313Q294-I296 PolarHBondContact O-N 2.97Å; I296-E305 WeakPolarHBondContact CG2-OE2 3.48Å; I296-E305 PolarHBondContact N-O 2.73Å; I296-F313 HydrophobicContact CG1-CE1 4.32Å
297T95.9Very high94.1Very high37 Ų3759.8 Ų59.823%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-134.5134.2179.3-54.60000109.1E299 V304 E305T297-E299 HydrophobicContact CG2-CG 3.81Å; T297-V304 CarbonylContact O-C 3.34Å; T297-V304 WeakPolarHBondContact O-CA 3.12Å; T297-V304 WeakPolarHBondContact O-CG1 3.4Å; T297-E305 PolarHBondContact N-O 3.19Å; T297-E305 VanDerWaalsContact N-O 3.11Å; T297-E305 PolarHBondContact O-N 3.48Å; T297-E305 PolarHBondContact OG1-OE2 2.93Å
298D96.1Very high93.6Very high78 Ų7859.1 Ų59.142%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-129.8103.1177.1-172.8-9.6000109.4I295 R300I295-D298 HydrophobicContact CG2-CB 3.95Å; D298-R300 WeakPolarHBondContact OD1-CG 3.44Å; D298-R300 IonicContact OD1-CZ 2.67Å; D298-R300 PolarHBondContact OD1-N 3.33Å; D298-R300 IonicContact OD1-NE 2.82Å; D298-R300 PolarHBondContact OD1-NE 3.44Å; D298-R300 IonicContact OD1-NH2 2.71Å; D298-R300 IonicContact OD2-CZ 2.79Å; D298-R300 IonicContact OD2-NE 3.86Å; D298-R300 PolarHBondContact OD2-NE 2.86Å; D298-R300 IonicContact OD2-NH2 3.25Å; D298-R300 PolarHBondContact OD2-NH2 3.34Å
299E94.1Very high92.5Very high98 Ų9863.1 Ų63.146%0.45832%0.321SS..  trans-12129.1-176.8-70.3174.2150.600110.9T297 T302 R303T297-E299 HydrophobicContact CG2-CG 3.81Å; E299-T302 WeakPolarHBondContact O-CB 3.1Å; E299-T302 PolarHBondContact O-N 3.11Å; E299-T302 PolarHBondContact O-OG1 3.17Å; E299-R303 CarbonylContact C-O 3.58Å; E299-R303 WeakPolarHBondContact CA-O 3.19Å; E299-R303 HydrophobicContact CB-CG 4.22Å; E299-R303 PolarHBondContact N-O 3.35Å; E299-R303 IonicContact OE2-CZ 3.7Å; E299-R303 IonicContact OE2-NE 2.68Å; E299-R303 PolarHBondContact OE2-NE 2.96Å; E299-R303 IonicContact OE2-NH2 2.67Å
300R93.5Very high91.2Very high109 Ų10962.5 Ų62.541%0.41132%0.315SS..THydrogen-bonded Turntrans-56.5145.9-178.3-75.9177-69.4176.8-2.7113E281 D298 T302 R303 V304E281-R300 WeakPolarHBondContact OE1-CD 3.27Å; E281-R300 WeakPolarHBondContact OE1-CG 3.49Å; D298-R300 WeakPolarHBondContact OD1-CG 3.44Å; D298-R300 IonicContact OD1-CZ 2.67Å; D298-R300 PolarHBondContact OD1-N 3.33Å; D298-R300 IonicContact OD1-NE 2.82Å; D298-R300 PolarHBondContact OD1-NE 3.44Å; D298-R300 IonicContact OD1-NH2 2.71Å; D298-R300 IonicContact OD2-CZ 2.79Å; D298-R300 IonicContact OD2-NE 3.86Å; D298-R300 PolarHBondContact OD2-NE 2.86Å; D298-R300 IonicContact OD2-NH2 3.25Å; D298-R300 PolarHBondContact OD2-NH2 3.34Å; R300-T302 VanDerWaalsContact C-N 3.31Å; R300-R303 PolarHBondContact N-O 3.11Å; R300-V304 VanDerWaalsContact CD-CG2 3.47Å; R300-V304 HydrophobicContact CG-CG2 3.35Å
301P91.5Very high90.6Very high75 Ų7555.4 Ų55.449%0.48728%0.282SS..THydrogen-bonded Turncis-84.312.76.533.7-34.9000114.8A330P301-A330 HydrophobicContact CB-CB 4.2Å; P301-A330 HydrophobicContact CG-CB 3.72Å
302T91.1Very high90.4Very high21 Ų2153.6 Ų53.613%0.12928%0.278CS..SBendtrans-75.6-55.8-177-50.20000112.3E299 R300 P318 P332E299-T302 WeakPolarHBondContact O-CB 3.1Å; E299-T302 PolarHBondContact O-N 3.11Å; E299-T302 PolarHBondContact O-OG1 3.17Å; R300-T302 VanDerWaalsContact C-N 3.31Å; T302-P318 WeakPolarHBondContact O-CD 3.49Å; T302-P332 HydrophobicContact CG2-CB 4.41Å; T302-P332 HydrophobicContact CG2-CG 3.75Å
303R93.9Very high90.6Very high66 Ų6654.1 Ų54.125%0.24927%0.27CS..  trans-163.4165.3-178.569176.8-162.214213.4113.4E299 R300 D315 L316E299-R303 CarbonylContact C-O 3.58Å; E299-R303 WeakPolarHBondContact CA-O 3.19Å; E299-R303 HydrophobicContact CB-CG 4.22Å; E299-R303 PolarHBondContact N-O 3.35Å; E299-R303 IonicContact OE2-CZ 3.7Å; E299-R303 IonicContact OE2-NE 2.68Å; E299-R303 PolarHBondContact OE2-NE 2.96Å; E299-R303 IonicContact OE2-NH2 2.67Å; R300-R303 PolarHBondContact N-O 3.11Å; R303-D315 IonicContact CZ-OD2 3.39Å; R303-D315 IonicContact NH1-OD1 2.66Å; R303-D315 IonicContact NH1-OD2 3.29Å; R303-D315 PolarHBondContact NH1-OD2 2.99Å; R303-L316 CarbonylContact C-O 3.49Å; R303-L316 WeakPolarHBondContact CA-O 3.45Å; R303-L316 WeakPolarHBondContact CB-O 3.04Å
304V97Very high90.6Very high1 Ų154 Ų541%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-136.3122.2168.2-175.70000109.3M285 I295 T297 R300 M306 L316M285-V304 HydrophobicContact CE-CG1 3.94Å; M285-V304 HydrophobicContact SD-CG1 4.44Å; I295-V304 HydrophobicContact CG1-CG1 4.45Å; I295-V304 HydrophobicContact CG2-CG1 4.09Å; T297-V304 CarbonylContact O-C 3.34Å; T297-V304 WeakPolarHBondContact O-CA 3.12Å; T297-V304 WeakPolarHBondContact O-CG1 3.4Å; R300-V304 VanDerWaalsContact CD-CG2 3.47Å; R300-V304 HydrophobicContact CG-CG2 3.35Å; V304-M306 HydrophobicContact CG1-CG 3.92Å; V304-L316 HydrophobicContact CB-CB 4.4Å; V304-L316 PolarHBondContact N-O 3.34Å; V304-L316 WeakPolarHBondContact O-CB 3.24Å; V304-L316 PolarHBondContact O-N 3Å
305E96.8Very high90.7Very high20 Ų2048.8 Ų48.89%0.09325%0.246CC..EExtended strand (participates in β ladder)trans-93.9123.5171.3-169.4-172.3-135.400108.8R270 I296 T297 F313R270-E305 IonicContact NH2-OE1 3.8Å; I296-E305 WeakPolarHBondContact CG2-OE2 3.48Å; I296-E305 PolarHBondContact N-O 2.73Å; T297-E305 PolarHBondContact N-O 3.19Å; T297-E305 VanDerWaalsContact N-O 3.11Å; T297-E305 PolarHBondContact O-N 3.48Å; T297-E305 PolarHBondContact OG1-OE2 2.93Å; E305-F313 HydrophobicContact CG-CD1 4.05Å
306M97.5Very high90.7Very high0 Ų045.6 Ų45.60%023%0.23CC..EExtended strand (participates in β ladder)trans-117.8155.3175.4-56.2-172.983.200111.1M285 L288 L289 Y293 Q294 I295 V304 F313 L314 L316M285-M306 HydrophobicContact CE-CE 3.75Å; M285-M306 HydrophobicContact CE-CG 4.4Å; M285-M306 HydrophobicContact CE-SD 3.53Å; M285-M306 VanDerWaalsContact CE-SD 3.53Å; M285-M306 HydrophobicContact SD-SD 3.97Å; L288-M306 HydrophobicContact CB-CE 3.99Å; L288-M306 HydrophobicContact CB-SD 3.92Å; L288-M306 HydrophobicContact CD1-SD 3.68Å; L288-M306 HydrophobicContact CG-SD 4.45Å; L289-M306 HydrophobicContact CD2-CE 4.02Å; L289-M306 HydrophobicContact CG-CE 4.16Å; Y293-M306 HydrophobicContact CD1-CB 3.83Å; Y293-M306 HydrophobicContact CG-CB 4.44Å; Q294-M306 CarbonylContact O-C 3.52Å; Q294-M306 WeakPolarHBondContact O-CA 3.37Å; I295-M306 HydrophobicContact CG1-CE 3.81Å; I295-M306 HydrophobicContact CG1-CG 4.39Å; V304-M306 HydrophobicContact CG1-CG 3.92Å; M306-F313 CarbonylContact O-C 3.55Å; M306-F313 WeakPolarHBondContact O-CA 3.43Å; M306-L314 PolarHBondContact N-O 3.4Å; M306-L314 PolarHBondContact O-N 3Å; M306-L316 HydrophobicContact CG-CD1 4.35Å; M306-L316 HydrophobicContact SD-CD1 3.88Å
307Y91.2Very high90.6Very high80 Ų8042.5 Ų42.531%0.31421%0.213SC..EExtended strand (participates in β ladder)trans-133.2139178.5175-101.8000111.6Y293 Q294 P309 F313Y293-Y307 WeakPolarHBondContact CA-O 3.41Å; Q294-Y307 PolarHBondContact N-O 3.15Å; Q294-Y307 PolarHBondContact O-N 3.48Å; Y307-P309 HydrophobicContact CE1-CG 4.26Å; Y307-F313 HydrophobicContact CD2-CD1 4.03Å; Y307-F313 AromaticContact CD2-CD2 3.8Å; Y307-F313 HydrophobicContact CD2-CD2 3.8Å; Y307-F313 AromaticContact CD2-CE1 3.89Å; Y307-F313 HydrophobicContact CD2-CE1 3.89Å; Y307-F313 AromaticContact CD2-CE2 3.65Å; Y307-F313 HydrophobicContact CD2-CE2 3.65Å; Y307-F313 AromaticContact CD2-CG 3.98Å; Y307-F313 HydrophobicContact CD2-CG 3.98Å; Y307-F313 AromaticContact CD2-CZ 3.69Å; Y307-F313 HydrophobicContact CD2-CZ 3.69Å; Y307-F313 HydrophobicContact CE2-CD2 4.2Å; Y307-F313 AromaticContact CE2-CE2 3.88Å; Y307-F313 HydrophobicContact CE2-CE2 3.88Å; Y307-F313 HydrophobicContact CE2-CZ 4.2Å; Y307-F313 HydrophobicContact CG-CE1 4.26Å; Y307-F313 HydrophobicContact CG-CZ 4.33Å
308H85.9Confident90.5Very high30 Ų3041 Ų4114%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-126.8131170.2-177.2-86000110L291 Y293 K310 H311 G312L291-H308 PolarHBondContact O-CD2 2.78Å; L291-H308 PolarHBondContact O-NE2 2.79Å; Y293-H308 HydrophobicContact CD1-CB 3.65Å; Y293-H308 HydrophobicContact CD2-CB 3.98Å; Y293-H308 HydrophobicContact CE1-CB 3.53Å; Y293-H308 HydrophobicContact CE2-CB 3.87Å; Y293-H308 HydrophobicContact CG-CB 3.87Å; H308-K310 VanDerWaalsContact CE1-CB 3.48Å; H308-K310 WeakPolarHBondContact CE1-CB 3.4Å; H308-K310 WeakPolarHBondContact ND1-CB 3.44Å; H308-K310 PolarHBondContact ND1-N 3.12Å; H308-K310 PolarHBondContact O-N 3.42Å; H308-K310 VanDerWaalsContact O-N 3.07Å; H308-H311 HydrophobicContact CB-CB 3.99Å; H308-H311 AromaticContact CE1-CD2 3.36Å; H308-H311 PolarHBondContact CE1-CD2 3.37Å; H308-H311 AromaticContact CE1-NE2 3.94Å; H308-H311 AromaticContact CG-CD2 3.79Å; H308-H311 AromaticContact ND1-CD2 3.13Å; H308-H311 PolarHBondContact ND1-CD2 2.68Å; H308-H311 AromaticContact ND1-CG 3.62Å; H308-H311 PolarHBondContact ND1-N 3.31Å; H308-H311 VanDerWaalsContact ND1-N 3.19Å; H308-H311 PolarHBondContact O-N 2.64Å; H308-G312 PolarHBondContact N-O 3.43Å; H308-G312 PolarHBondContact O-N 2.78Å
309P71.7Confident90.2Very high85 Ų8537.3 Ų37.355%0.55218%0.184SC*.THydrogen-bonded Turntrans-52.9-36.3-175.9-2935.1000115Y307Y307-P309 HydrophobicContact CE1-CG 4.26Å
310K68.7Low89.9Confident76 Ų7635 Ų3533%0.3318%0.175SC..THydrogen-bonded Turntrans-89.4-27.7178.2-166.8-177.5176.6-172.90113.8A227 S235 H308A227-K310 PolarHBondContact O-NZ 3.4Å; A227-K310 VanDerWaalsContact O-NZ 3.12Å; S235-K310 PolarHBondContact OG-O 3.49Å; H308-K310 VanDerWaalsContact CE1-CB 3.48Å; H308-K310 WeakPolarHBondContact CE1-CB 3.4Å; H308-K310 WeakPolarHBondContact ND1-CB 3.44Å; H308-K310 PolarHBondContact ND1-N 3.12Å; H308-K310 PolarHBondContact O-N 3.42Å; H308-K310 VanDerWaalsContact O-N 3.07Å
311H80.8Confident89.5Confident19 Ų1931.7 Ų31.79%0.08817%0.165CC..THydrogen-bonded Turntrans-110.7-4.7-166.4-60.8-57.7000113.9S235 W238 Y293 H308S235-H311 WeakPolarHBondContact CB-O 3.16Å; S235-H311 WeakPolarHBondContact OG-CA 3.18Å; S235-H311 PolarHBondContact OG-ND1 3.5Å; W238-H311 AromaticContact CD2-CE1 3.75Å; W238-H311 AromaticContact CD2-NE2 3.96Å; W238-H311 AromaticContact CE2-CE1 3.99Å; W238-H311 AromaticContact CE2-NE2 3.81Å; W238-H311 HydrophobicContact CE3-CB 4.24Å; W238-H311 AromaticContact CE3-CD2 3.75Å; W238-H311 AromaticContact CE3-CE1 3.74Å; W238-H311 AromaticContact CE3-CG 3.63Å; W238-H311 AromaticContact CE3-ND1 3.63Å; W238-H311 AromaticContact CE3-NE2 3.88Å; W238-H311 AromaticContact CH2-CD2 3.19Å; W238-H311 WeakPolarHBondContact CH2-CD2 3.31Å; W238-H311 AromaticContact CH2-CG 3.9Å; W238-H311 AromaticContact CH2-NE2 3.46Å; W238-H311 WeakPolarHBondContact CH2-NE2 3.35Å; W238-H311 AromaticContact CZ2-CD2 3.82Å; W238-H311 AromaticContact CZ2-NE2 3.55Å; W238-H311 HydrophobicContact CZ3-CB 3.85Å; W238-H311 AromaticContact CZ3-CD2 3.17Å; W238-H311 WeakPolarHBondContact CZ3-CD2 3.38Å; W238-H311 AromaticContact CZ3-CE1 3.95Å; W238-H311 AromaticContact CZ3-CG 3.35Å; W238-H311 AromaticContact CZ3-ND1 3.85Å; W238-H311 AromaticContact CZ3-NE2 3.65Å; Y293-H311 VanDerWaalsContact OH-CB 3.23Å; Y293-H311 WeakPolarHBondContact OH-CB 3.46Å; H308-H311 HydrophobicContact CB-CB 3.99Å; H308-H311 AromaticContact CE1-CD2 3.36Å; H308-H311 PolarHBondContact CE1-CD2 3.37Å; H308-H311 AromaticContact CE1-NE2 3.94Å; H308-H311 AromaticContact CG-CD2 3.79Å; H308-H311 AromaticContact ND1-CD2 3.13Å; H308-H311 PolarHBondContact ND1-CD2 2.68Å; H308-H311 AromaticContact ND1-CG 3.62Å; H308-H311 PolarHBondContact ND1-N 3.31Å; H308-H311 VanDerWaalsContact ND1-N 3.19Å; H308-H311 PolarHBondContact O-N 2.64Å
312G83.6Confident89.1Confident22 Ų2232.9 Ų32.923%0.22718%0.175CC..EExtended strand (participates in β ladder)trans80.8-158.3176.400000112.5H308H308-G312 PolarHBondContact N-O 3.43Å; H308-G312 PolarHBondContact O-N 2.78Å
313F91.7Very high88.6Confident45 Ų4535.5 Ų35.520%0.19719%0.186CC..EExtended strand (participates in β ladder)trans-85145.5179.3-72.3-89.3000110.9R270 D271 I272 I296 E305 M306 Y307R270-F313 HydrophobicContact CG-CD2 4.06Å; D271-F313 CarbonylContact C-O 3.33Å; D271-F313 VanDerWaalsContact CA-O 3.27Å; D271-F313 WeakPolarHBondContact CA-O 3.36Å; D271-F313 HydrophobicContact CB-CB 3.79Å; I272-F313 PolarHBondContact N-O 3.49Å; I296-F313 HydrophobicContact CG1-CE1 4.32Å; E305-F313 HydrophobicContact CG-CD1 4.05Å; M306-F313 CarbonylContact O-C 3.55Å; M306-F313 WeakPolarHBondContact O-CA 3.43Å; Y307-F313 HydrophobicContact CD2-CD1 4.03Å; Y307-F313 AromaticContact CD2-CD2 3.8Å; Y307-F313 HydrophobicContact CD2-CD2 3.8Å; Y307-F313 AromaticContact CD2-CE1 3.89Å; Y307-F313 HydrophobicContact CD2-CE1 3.89Å; Y307-F313 AromaticContact CD2-CE2 3.65Å; Y307-F313 HydrophobicContact CD2-CE2 3.65Å; Y307-F313 AromaticContact CD2-CG 3.98Å; Y307-F313 HydrophobicContact CD2-CG 3.98Å; Y307-F313 AromaticContact CD2-CZ 3.69Å; Y307-F313 HydrophobicContact CD2-CZ 3.69Å; Y307-F313 HydrophobicContact CE2-CD2 4.2Å; Y307-F313 AromaticContact CE2-CE2 3.88Å; Y307-F313 HydrophobicContact CE2-CE2 3.88Å; Y307-F313 HydrophobicContact CE2-CZ 4.2Å; Y307-F313 HydrophobicContact CG-CE1 4.26Å; Y307-F313 HydrophobicContact CG-CZ 4.33Å
314L94.9Very high87.7Confident0 Ų037.3 Ų37.30%022%0.215CC..EExtended strand (participates in β ladder)trans-130.3114.8173.2-179.570.2000106.6M239 I272 I274 L288 Y293 M306 L316M239-L314 HydrophobicContact CE-CD1 4.08Å; M239-L314 HydrophobicContact CE-CD2 3.61Å; M239-L314 HydrophobicContact CE-CG 4.41Å; M239-L314 HydrophobicContact CG-CD1 4.05Å; M239-L314 HydrophobicContact SD-CD1 4.26Å; M239-L314 HydrophobicContact SD-CD2 4.12Å; I272-L314 HydrophobicContact CB-CD1 3.98Å; I272-L314 HydrophobicContact CG2-CD1 4.29Å; I272-L314 WeakPolarHBondContact O-CA 3.1Å; I274-L314 HydrophobicContact CG1-CD1 3.73Å; L288-L314 HydrophobicContact CD1-CD2 3.68Å; L288-L314 HydrophobicContact CD2-CD2 3.8Å; L288-L314 HydrophobicContact CG-CD2 4.42Å; Y293-L314 HydrophobicContact CD1-CB 4.38Å; Y293-L314 HydrophobicContact CE1-CB 3.79Å; Y293-L314 HydrophobicContact CE1-CD2 4.21Å; M306-L314 PolarHBondContact N-O 3.4Å; M306-L314 PolarHBondContact O-N 3Å; L314-L316 HydrophobicContact CD1-CD2 4.19Å; L314-L316 HydrophobicContact CD2-CD1 4.35Å; L314-L316 HydrophobicContact CD2-CD2 3.74Å; L314-L316 HydrophobicContact CD2-CG 4.13Å; L314-L316 HydrophobicContact CG-CD2 3.7Å; L314-L316 HydrophobicContact CG-CG 4.04Å
315D95.3Very high86.5Confident10 Ų1040 Ų405%0.05324%0.243CC..EExtended strand (participates in β ladder)trans-99.4119.2174.3-155.4-0.3000108.3I272 D273 I274 R303 H317I272-D315 PolarHBondContact O-N 3.35Å; D273-D315 WeakPolarHBondContact CA-O 3.31Å; I274-D315 PolarHBondContact N-O 3.29Å; R303-D315 IonicContact CZ-OD2 3.39Å; R303-D315 IonicContact NH1-OD1 2.66Å; R303-D315 IonicContact NH1-OD2 3.29Å; R303-D315 PolarHBondContact NH1-OD2 2.99Å; D315-H317 IonicContact OD1-CE1 3.37Å; D315-H317 IonicContact OD1-NE2 3.64Å; D315-H317 IonicContact OD2-CE1 3.66Å; D315-H317 IonicContact OD2-NE2 3.41Å
316L96.6Very high85.6Confident2 Ų242.8 Ų42.81%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-108.4125.7-172.5-63.7175.3000109.5I274 F276 L284 M285 L288 R303 V304 M306 L314I274-L316 HydrophobicContact CB-CD2 4.03Å; I274-L316 HydrophobicContact CG2-CD2 4.37Å; F276-L316 HydrophobicContact CD1-CB 4.39Å; F276-L316 HydrophobicContact CE1-CB 3.85Å; L284-L316 HydrophobicContact CD2-CD1 4.37Å; L284-L316 HydrophobicContact CD2-CD2 4.15Å; M285-L316 HydrophobicContact SD-CD1 3.78Å; L288-L316 HydrophobicContact CD1-CD1 3.57Å; L288-L316 HydrophobicContact CD1-CD2 4.48Å; R303-L316 CarbonylContact C-O 3.49Å; R303-L316 WeakPolarHBondContact CA-O 3.45Å; R303-L316 WeakPolarHBondContact CB-O 3.04Å; V304-L316 HydrophobicContact CB-CB 4.4Å; V304-L316 PolarHBondContact N-O 3.34Å; V304-L316 WeakPolarHBondContact O-CB 3.24Å; V304-L316 PolarHBondContact O-N 3Å; M306-L316 HydrophobicContact CG-CD1 4.35Å; M306-L316 HydrophobicContact SD-CD1 3.88Å; L314-L316 HydrophobicContact CD1-CD2 4.19Å; L314-L316 HydrophobicContact CD2-CD1 4.35Å; L314-L316 HydrophobicContact CD2-CD2 3.74Å; L314-L316 HydrophobicContact CD2-CG 4.13Å; L314-L316 HydrophobicContact CG-CD2 3.7Å; L314-L316 HydrophobicContact CG-CG 4.04Å
317H93.9Very high84.7Confident19 Ų1943.8 Ų43.89%0.08826%0.259CS..EExtended strand (participates in β ladder)trans-119.1107.4-177.4-62.6-85.5000109.5I274 D275 F276 D315 F319I274-H317 PolarHBondContact O-N 3.01Å; D275-H317 WeakPolarHBondContact CA-O 3.37Å; D275-H317 VanDerWaalsContact OD1-CB 3.31Å; D275-H317 WeakPolarHBondContact OD1-CB 3.48Å; D275-H317 IonicContact OD1-CG 3.11Å; F276-H317 WeakPolarHBondContact CD1-O 3.37Å; F276-H317 PolarHBondContact N-O 2.94Å; D315-H317 IonicContact OD1-CE1 3.37Å; D315-H317 IonicContact OD1-NE2 3.64Å; D315-H317 IonicContact OD2-CE1 3.66Å; D315-H317 IonicContact OD2-NE2 3.41Å; H317-F319 HydrophobicContact CB-CD2 4.49Å; H317-F319 HydrophobicContact CB-CE2 3.83Å; H317-F319 VanDerWaalsContact O-CD2 3.24Å; H317-F319 WeakPolarHBondContact O-CD2 3.28Å
318P94.1Very high84.5Confident5 Ų541.8 Ų41.83%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-75133178.8-12.526.8000111.8F276 A278 T302F276-P318 HydrophobicContact CE1-CB 4.11Å; F276-P318 HydrophobicContact CE1-CG 3.88Å; F276-P318 HydrophobicContact CE2-CB 4.39Å; F276-P318 HydrophobicContact CZ-CB 3.8Å; F276-P318 HydrophobicContact CZ-CG 3.71Å; A278-P318 HydrophobicContact CB-CB 3.87Å; T302-P318 WeakPolarHBondContact O-CD 3.49Å
319F90.1Very high84.5Confident0 Ų041.3 Ų41.30%025%0.25CS..EExtended strand (participates in β ladder)trans-117.2131.8174.7-76.3-114.6000110.9D275 F276 A278 H317 L321 M327 K328 Q329 L339 F344 F365D275-F319 HydrophobicContact CB-CD2 3.79Å; D275-F319 HydrophobicContact CB-CE2 3.48Å; D275-F319 VanDerWaalsContact CB-CE2 3.48Å; D275-F319 HydrophobicContact CB-CZ 4.04Å; D275-F319 WeakPolarHBondContact OD1-CE2 3.36Å; D275-F319 WeakPolarHBondContact OD1-CZ 3.28Å; F276-F319 PolarHBondContact O-N 2.86Å; A278-F319 VanDerWaalsContact CB-O 3.3Å; A278-F319 WeakPolarHBondContact CB-O 3.19Å; A278-F319 PolarHBondContact N-O 3Å; H317-F319 HydrophobicContact CB-CD2 4.49Å; H317-F319 HydrophobicContact CB-CE2 3.83Å; H317-F319 VanDerWaalsContact O-CD2 3.24Å; H317-F319 WeakPolarHBondContact O-CD2 3.28Å; F319-L321 HydrophobicContact CB-CD2 4.02Å; F319-L321 PolarHBondContact O-N 3.47Å; F319-M327 HydrophobicContact CD1-CB 4.01Å; F319-K328 WeakPolarHBondContact CA-O 3.48Å; F319-Q329 HydrophobicContact CD1-CB 4.1Å; F319-Q329 HydrophobicContact CD2-CG 4.46Å; F319-Q329 HydrophobicContact CE1-CB 3.9Å; F319-Q329 HydrophobicContact CE1-CG 4.35Å; F319-Q329 HydrophobicContact CE2-CB 4.37Å; F319-Q329 HydrophobicContact CE2-CG 3.97Å; F319-Q329 HydrophobicContact CZ-CB 4Å; F319-Q329 HydrophobicContact CZ-CG 3.94Å; F319-L339 HydrophobicContact CD1-CD1 4.05Å; F319-L339 HydrophobicContact CE1-CD1 3.22Å; F319-L339 HydrophobicContact CZ-CD1 4.02Å; F319-F344 HydrophobicContact CD1-CZ 4.21Å; F319-F344 HydrophobicContact CE1-CE1 4.36Å; F319-F344 AromaticContact CE1-CZ 3.68Å; F319-F344 HydrophobicContact CE1-CZ 3.68Å; F319-F344 HydrophobicContact CZ-CZ 4.34Å; F319-F365 HydrophobicContact CZ-CE1 4.4Å; F319-F365 HydrophobicContact CZ-CZ 4.23Å
320D88.4Confident85.2Confident49 Ų4937.5 Ų37.526%0.26223%0.226SC..EExtended strand (participates in β ladder)trans-79.8109.8168.317610.2000109.4S322 K328 W336D320-S322 WeakPolarHBondContact OD1-CB 3.14Å; D320-S322 PolarHBondContact OD1-N 3.35Å; D320-S322 PolarHBondContact OD1-OG 2.83Å; D320-S322 PolarHBondContact OD2-OG 2.87Å; D320-K328 HydrophobicContact CB-CB 4.2Å; D320-K328 PolarHBondContact N-O 2.95Å; D320-K328 PolarHBondContact O-N 3.45Å; D320-W336 HydrophobicContact CB-CZ3 4.29Å
321L84.8Confident85.8Confident41 Ų4135.6 Ų35.622%0.21522%0.22CC..  trans-100.512.4177.6-52.8-173.7000113W251 D277 F319 E323 M327W251-L321 HydrophobicContact CH2-CD1 4.09Å; W251-L321 HydrophobicContact CZ3-CD1 4.02Å; D277-L321 HydrophobicContact CB-CD1 3.68Å; D277-L321 HydrophobicContact CB-CG 4.29Å; F319-L321 HydrophobicContact CB-CD2 4.02Å; F319-L321 PolarHBondContact O-N 3.47Å; L321-E323 PolarHBondContact O-N 3.04Å; L321-M327 HydrophobicContact CD2-CB 3.95Å; L321-M327 HydrophobicContact CD2-CE 3.74Å; L321-M327 HydrophobicContact CD2-CG 3.43Å; L321-M327 VanDerWaalsContact CD2-CG 3.43Å; L321-M327 HydrophobicContact CD2-SD 3.41Å; L321-M327 WeakPolarHBondContact CD2-SD 3.36Å
322S83.2Confident85.6Confident100 Ų10039.7 Ų39.770%0.69925%0.248SC*.  trans-66-23.3-173.164.20000114.3D320D320-S322 WeakPolarHBondContact OD1-CB 3.14Å; D320-S322 PolarHBondContact OD1-N 3.35Å; D320-S322 PolarHBondContact OD1-OG 2.83Å; D320-S322 PolarHBondContact OD2-OG 2.87Å
323E80.2Confident85.5Confident76 Ų7647.4 Ų47.436%0.35528%0.278SS..SBendtrans-100111.8177.3-170176.4171.300110.1L321 G325 K326 K328L321-E323 PolarHBondContact O-N 3.04Å; E323-G325 PolarHBondContact O-N 3.12Å; E323-K326 HydrophobicContact CB-CB 4.3Å; E323-K326 HydrophobicContact CG-CB 4.39Å; E323-K326 HydrophobicContact CG-CD 4.25Å; E323-K326 HydrophobicContact CG-CG 4.4Å; E323-K326 PolarHBondContact O-N 3.49Å; E323-K326 WeakPolarHBondContact OE1-CD 3.46Å; E323-K326 VanDerWaalsContact OE1-CE 3.23Å; E323-K326 WeakPolarHBondContact OE1-CE 3.39Å; E323-K326 IonicContact OE1-NZ 2.76Å; E323-K326 PolarHBondContact OE1-NZ 3.38Å; E323-K326 IonicContact OE2-NZ 3.75Å; E323-K328 IonicContact OE2-NZ 3.1Å; E323-K328 PolarHBondContact OE2-NZ 2.98Å
324A75.1Confident84.9Confident104 Ų10447.7 Ų47.786%0.8629%0.294SS*.THydrogen-bonded Turntrans-54.3123.8-17600000112.5K326A324-K326 VanDerWaalsContact C-N 3.32Å
325G72.3Confident84.4Confident56 Ų5650.1 Ų50.158%0.57732%0.318SS*.THydrogen-bonded Turntrans80.96.3-179.800000114.7E323E323-G325 PolarHBondContact O-N 3.12Å
326K77.4Confident83.8Confident80 Ų8056.3 Ų56.335%0.34834%0.341SS..EExtended strand (participates in β ladder)trans-126.4142171-62.8-165.5-169.91620110.3E323 A324E323-K326 HydrophobicContact CB-CB 4.3Å; E323-K326 HydrophobicContact CG-CB 4.39Å; E323-K326 HydrophobicContact CG-CD 4.25Å; E323-K326 HydrophobicContact CG-CG 4.4Å; E323-K326 PolarHBondContact O-N 3.49Å; E323-K326 WeakPolarHBondContact OE1-CD 3.46Å; E323-K326 VanDerWaalsContact OE1-CE 3.23Å; E323-K326 WeakPolarHBondContact OE1-CE 3.39Å; E323-K326 IonicContact OE1-NZ 2.76Å; E323-K326 PolarHBondContact OE1-NZ 3.38Å; E323-K326 IonicContact OE2-NZ 3.75Å; A324-K326 VanDerWaalsContact C-N 3.32Å
327M79.7Confident83Confident20 Ų2061 Ų6110%0.09936%0.362CS..EExtended strand (participates in β ladder)trans-118.9135.2170.8-56.1-15717500109.2W251 F319 L321 L339 F344W251-M327 HydrophobicContact CH2-CE 3.67Å; W251-M327 HydrophobicContact CZ2-CE 3.92Å; W251-M327 HydrophobicContact CZ3-CE 4.01Å; F319-M327 HydrophobicContact CD1-CB 4.01Å; L321-M327 HydrophobicContact CD2-CB 3.95Å; L321-M327 HydrophobicContact CD2-CE 3.74Å; L321-M327 HydrophobicContact CD2-CG 3.43Å; L321-M327 VanDerWaalsContact CD2-CG 3.43Å; L321-M327 HydrophobicContact CD2-SD 3.41Å; L321-M327 WeakPolarHBondContact CD2-SD 3.36Å; M327-L339 PolarHBondContact N-O 3.18Å; M327-L339 PolarHBondContact O-N 3.16Å; M327-F344 HydrophobicContact CB-CE2 4.14Å; M327-F344 HydrophobicContact CE-CB 4.18Å; M327-F344 HydrophobicContact CE-CD1 4.47Å; M327-F344 HydrophobicContact CE-CD2 3.73Å; M327-F344 HydrophobicContact CE-CE2 4.27Å; M327-F344 HydrophobicContact CE-CG 3.84Å; M327-F344 HydrophobicContact CG-CD2 4.24Å; M327-F344 HydrophobicContact CG-CE2 3.98Å; M327-F344 HydrophobicContact SD-CD1 4.12Å; M327-F344 HydrophobicContact SD-CD2 3.27Å; M327-F344 WeakPolarHBondContact SD-CD2 3.4Å; M327-F344 HydrophobicContact SD-CE1 4.02Å; M327-F344 HydrophobicContact SD-CE2 3.18Å; M327-F344 WeakPolarHBondContact SD-CE2 3.43Å; M327-F344 HydrophobicContact SD-CG 3.75Å; M327-F344 HydrophobicContact SD-CZ 3.57Å; M327-F344 VanDerWaalsContact SD-CZ 3.57Å
328K86.8Confident82.4Confident39 Ų3965.8 Ų65.817%0.1738%0.384CS..EExtended strand (participates in β ladder)trans-121.8125.1179.7-66.2177.5-171.9157.60110.6F319 D320 E323 W336 F337 E338F319-K328 WeakPolarHBondContact CA-O 3.48Å; D320-K328 HydrophobicContact CB-CB 4.2Å; D320-K328 PolarHBondContact N-O 2.95Å; D320-K328 PolarHBondContact O-N 3.45Å; E323-K328 IonicContact OE2-NZ 3.1Å; E323-K328 PolarHBondContact OE2-NZ 2.98Å; K328-W336 HydrophobicContact CB-CD2 4.28Å; K328-W336 HydrophobicContact CB-CE3 3.65Å; K328-W336 HydrophobicContact CB-CZ3 4.21Å; K328-F337 WeakPolarHBondContact CA-O 3.43Å; K328-E338 WeakPolarHBondContact CE-OE1 3.45Å; K328-E338 HydrophobicContact CG-CG 4.19Å
329Q85.7Confident81.6Confident19 Ų1966.2 Ų66.29%0.08939%0.386CS..EExtended strand (participates in β ladder)trans-112.5139.3173.7-166.8-17522.900109.7F319 W336 F337 L339F319-Q329 HydrophobicContact CD1-CB 4.1Å; F319-Q329 HydrophobicContact CD2-CG 4.46Å; F319-Q329 HydrophobicContact CE1-CB 3.9Å; F319-Q329 HydrophobicContact CE1-CG 4.35Å; F319-Q329 HydrophobicContact CE2-CB 4.37Å; F319-Q329 HydrophobicContact CE2-CG 3.97Å; F319-Q329 HydrophobicContact CZ-CB 4Å; F319-Q329 HydrophobicContact CZ-CG 3.94Å; Q329-W336 VanDerWaalsContact C-CE3 3.46Å; Q329-W336 CarbonylContact O-C 3.53Å; Q329-W336 VanDerWaalsContact O-CA 3.31Å; Q329-W336 WeakPolarHBondContact O-CA 3.34Å; Q329-F337 PolarHBondContact N-O 3.29Å; Q329-F337 PolarHBondContact O-N 2.94Å; Q329-L339 HydrophobicContact CB-CD1 4.23Å
330A86.3Confident80.9Confident6 Ų671.9 Ų71.95%0.0541%0.412CS..EExtended strand (participates in β ladder)trans-70.7136.8177.200000110.9P301 W336P301-A330 HydrophobicContact CB-CB 4.2Å; P301-A330 HydrophobicContact CG-CB 3.72Å; A330-W336 HydrophobicContact CB-CE3 4.36Å; A330-W336 HydrophobicContact CB-CZ3 4.16Å
331N80.6Confident80Confident36 Ų3671.6 Ų71.619%0.19342%0.417CS..  trans-85.5134.9176.7179.3-15.8000110.4E333 G334 G335 F337N331-E333 PolarHBondContact O-N 2.8Å; N331-E333 PolarHBondContact OD1-N 3.45Å; N331-G334 WeakPolarHBondContact O-CA 3.46Å; N331-G334 PolarHBondContact O-N 2.66Å; N331-G335 PolarHBondContact N-O 3.32Å; N331-F337 HydrophobicContact CB-CD2 4.04Å; N331-F337 HydrophobicContact CB-CE2 3.69Å; N331-F337 HydrophobicContact CB-CZ 4.25Å
332P77.7Confident79.7Confident104 Ų10475 Ų7568%0.67544%0.435SS*.THydrogen-bonded Turntrans-50.9-35171.4-20.722.7000114.9T302 G334T302-P332 HydrophobicContact CG2-CB 4.41Å; T302-P332 HydrophobicContact CG2-CG 3.75Å; P332-G334 VanDerWaalsContact C-N 3.28Å
333E81.7Confident79.5Confident185 Ų18572.3 Ų72.386%0.86441%0.41SS*.THydrogen-bonded Turntrans-83.5-3178.1-59.6-172.2167.400113.4N331N331-E333 PolarHBondContact O-N 2.8Å; N331-E333 PolarHBondContact OD1-N 3.45Å
334G78.5Confident79.6Confident51 Ų5169.8 Ų69.853%0.52640%0.398SS..SBendtrans99.4147.8-176.300000113.6N331 P332N331-G334 WeakPolarHBondContact O-CA 3.46Å; N331-G334 PolarHBondContact O-N 2.66Å; P332-G334 VanDerWaalsContact C-N 3.28Å
335G85.1Confident80.4Confident50 Ų5067.3 Ų67.352%0.51537%0.374SS..SBendtrans97.5-165.3-174.700000112.7N331N331-G335 PolarHBondContact N-O 3.32Å
336W81.9Confident81.4Confident141 Ų14170.4 Ų70.453%0.53437%0.373SS..EExtended strand (participates in β ladder)trans-129135.4-176.7-63.994.6000110.5D320 K328 Q329 A330D320-W336 HydrophobicContact CB-CZ3 4.29Å; K328-W336 HydrophobicContact CB-CD2 4.28Å; K328-W336 HydrophobicContact CB-CE3 3.65Å; K328-W336 HydrophobicContact CB-CZ3 4.21Å; Q329-W336 VanDerWaalsContact C-CE3 3.46Å; Q329-W336 CarbonylContact O-C 3.53Å; Q329-W336 VanDerWaalsContact O-CA 3.31Å; Q329-W336 WeakPolarHBondContact O-CA 3.34Å; A330-W336 HydrophobicContact CB-CE3 4.36Å; A330-W336 HydrophobicContact CB-CZ3 4.16Å
337F80.8Confident82.1Confident101 Ų10167.5 Ų67.544%0.44336%0.364SS..EExtended strand (participates in β ladder)trans-81.3120.2158.7-69-67.2000107.9K328 Q329 N331 L339K328-F337 WeakPolarHBondContact CA-O 3.43Å; Q329-F337 PolarHBondContact N-O 3.29Å; Q329-F337 PolarHBondContact O-N 2.94Å; N331-F337 HydrophobicContact CB-CD2 4.04Å; N331-F337 HydrophobicContact CB-CE2 3.69Å; N331-F337 HydrophobicContact CB-CZ 4.25Å; F337-L339 HydrophobicContact CB-CD2 4.12Å; F337-L339 HydrophobicContact CB-CG 4.33Å
338E80Confident82.5Confident119 Ų11971.5 Ų71.556%0.55639%0.385SS*.EExtended strand (participates in β ladder)trans-88124.1166.5-65.8-165.516700107.8K328K328-E338 WeakPolarHBondContact CE-OE1 3.45Å; K328-E338 HydrophobicContact CG-CG 4.19Å
339L77.3Confident82.5Confident14 Ų1469.7 Ų69.77%0.07338%0.377CS..EExtended strand (participates in β ladder)trans-118.2141.1-175.7-53.8163.5000108.2F319 M327 Q329 F337 W343 F344 F365F319-L339 HydrophobicContact CD1-CD1 4.05Å; F319-L339 HydrophobicContact CE1-CD1 3.22Å; F319-L339 HydrophobicContact CZ-CD1 4.02Å; M327-L339 PolarHBondContact N-O 3.18Å; M327-L339 PolarHBondContact O-N 3.16Å; Q329-L339 HydrophobicContact CB-CD1 4.23Å; F337-L339 HydrophobicContact CB-CD2 4.12Å; F337-L339 HydrophobicContact CB-CG 4.33Å; L339-W343 HydrophobicContact CB-CE3 3.72Å; L339-W343 HydrophobicContact CB-CZ3 3.75Å; L339-W343 HydrophobicContact CD2-CE3 3.81Å; L339-W343 HydrophobicContact CD2-CZ3 3.37Å; L339-W343 HydrophobicContact CG-CE3 4.3Å; L339-W343 HydrophobicContact CG-CZ3 4.1Å; L339-F344 HydrophobicContact CB-CE2 4.44Å; L339-F365 HydrophobicContact CD1-CE1 4.36Å; L339-F365 HydrophobicContact CD1-CZ 3.93Å; L339-F365 HydrophobicContact CD2-CZ 4.48Å
340E76.3Confident82.1Confident118 Ų11873.5 Ų73.555%0.55140%0.395SS*.EExtended strand (participates in β ladder)trans-76.1141.5-179.1-63.7-66.7155.500110D342 W343E340-D342 WeakPolarHBondContact CB-OD1 3.45Å; E340-D342 PolarHBondContact O-N 2.86Å; E340-D342 VanDerWaalsContact O-N 3.15Å; E340-W343 HydrophobicContact CB-CD2 4.32Å; E340-W343 HydrophobicContact CB-CZ2 4.14Å; E340-W343 HydrophobicContact CG-CH2 4.43Å; E340-W343 HydrophobicContact CG-CZ2 4.02Å; E340-W343 WeakPolarHBondContact O-CB 3.26Å; E340-W343 PolarHBondContact O-N 3Å; E340-W343 VanDerWaalsContact O-N 3.09Å
341A69.5Low81.6Confident44 Ų4476.5 Ų76.536%0.36443%0.427SS..G310 helixtrans-64.6-19.3-176.200000113.7W343 F344A341-W343 PolarHBondContact O-N 3.02Å; A341-F344 PolarHBondContact O-N 2.96Å
342D77.5Confident81.7Confident112 Ų11278.4 Ų78.460%0.59943%0.431SS*.G310 helixtrans-75.1-5.7176.464.9-19000113.5E340 F344 S358E340-D342 WeakPolarHBondContact CB-OD1 3.45Å; E340-D342 PolarHBondContact O-N 2.86Å; E340-D342 VanDerWaalsContact O-N 3.15Å; D342-F344 PolarHBondContact O-N 3.35Å; D342-S358 PolarHBondContact O-OG 3.11Å
343W80.1Confident82.3Confident44 Ų4477.7 Ų77.717%0.16742%0.42CS..G310 helixtrans-80.3-3.2173.5-62-5.8000113.6L339 E340 A341 V357 S358 L364L339-W343 HydrophobicContact CB-CE3 3.72Å; L339-W343 HydrophobicContact CB-CZ3 3.75Å; L339-W343 HydrophobicContact CD2-CE3 3.81Å; L339-W343 HydrophobicContact CD2-CZ3 3.37Å; L339-W343 HydrophobicContact CG-CE3 4.3Å; L339-W343 HydrophobicContact CG-CZ3 4.1Å; E340-W343 HydrophobicContact CB-CD2 4.32Å; E340-W343 HydrophobicContact CB-CZ2 4.14Å; E340-W343 HydrophobicContact CG-CH2 4.43Å; E340-W343 HydrophobicContact CG-CZ2 4.02Å; E340-W343 WeakPolarHBondContact O-CB 3.26Å; E340-W343 PolarHBondContact O-N 3Å; E340-W343 VanDerWaalsContact O-N 3.09Å; A341-W343 PolarHBondContact O-N 3.02Å; W343-V357 CarbonylContact O-C 3.33Å; W343-V357 VanDerWaalsContact O-CA 3.31Å; W343-V357 WeakPolarHBondContact O-CA 3.25Å; W343-V357 WeakPolarHBondContact O-CG1 3.48Å; W343-S358 WeakPolarHBondContact CA-OG 3.48Å; W343-S358 PolarHBondContact O-N 3.1Å; W343-L364 HydrophobicContact CD2-CD2 4.37Å; W343-L364 HydrophobicContact CE3-CD2 3.78Å; W343-L364 HydrophobicContact CH2-CD2 3.04Å; W343-L364 HydrophobicContact CZ2-CD2 3.67Å; W343-L364 HydrophobicContact CZ3-CD2 3.07Å
344F82.3Confident82.9Confident22 Ų2268.9 Ų68.910%0.09638%0.379CS..EExtended strand (participates in β ladder)trans-116.7121.2-179-63.7-80.9000108.7W251 D275 F319 M327 L339 A341 D342 V357W251-F344 HydrophobicContact CB-CD1 3.74Å; W251-F344 HydrophobicContact CB-CE1 4.25Å; W251-F344 AromaticContact CD1-CD1 3.86Å; W251-F344 HydrophobicContact CD2-CB 4.2Å; W251-F344 AromaticContact CD2-CD1 3.62Å; W251-F344 HydrophobicContact CD2-CD1 3.62Å; W251-F344 HydrophobicContact CD2-CE1 4.42Å; W251-F344 HydrophobicContact CD2-CG 4.21Å; W251-F344 HydrophobicContact CE3-CD1 4.1Å; W251-F344 HydrophobicContact CG-CB 4.14Å; W251-F344 AromaticContact CG-CD1 3.43Å; W251-F344 HydrophobicContact CG-CD1 3.43Å; W251-F344 VanDerWaalsContact CG-CD1 3.43Å; W251-F344 HydrophobicContact CG-CE1 4.31Å; W251-F344 HydrophobicContact CG-CG 4.22Å; D275-F344 HydrophobicContact CB-CE1 4.45Å; F319-F344 HydrophobicContact CD1-CZ 4.21Å; F319-F344 HydrophobicContact CE1-CE1 4.36Å; F319-F344 AromaticContact CE1-CZ 3.68Å; F319-F344 HydrophobicContact CE1-CZ 3.68Å; F319-F344 HydrophobicContact CZ-CZ 4.34Å; M327-F344 HydrophobicContact CB-CE2 4.14Å; M327-F344 HydrophobicContact CE-CB 4.18Å; M327-F344 HydrophobicContact CE-CD1 4.47Å; M327-F344 HydrophobicContact CE-CD2 3.73Å; M327-F344 HydrophobicContact CE-CE2 4.27Å; M327-F344 HydrophobicContact CE-CG 3.84Å; M327-F344 HydrophobicContact CG-CD2 4.24Å; M327-F344 HydrophobicContact CG-CE2 3.98Å; M327-F344 HydrophobicContact SD-CD1 4.12Å; M327-F344 HydrophobicContact SD-CD2 3.27Å; M327-F344 WeakPolarHBondContact SD-CD2 3.4Å; M327-F344 HydrophobicContact SD-CE1 4.02Å; M327-F344 HydrophobicContact SD-CE2 3.18Å; M327-F344 WeakPolarHBondContact SD-CE2 3.43Å; M327-F344 HydrophobicContact SD-CG 3.75Å; M327-F344 HydrophobicContact SD-CZ 3.57Å; M327-F344 VanDerWaalsContact SD-CZ 3.57Å; L339-F344 HydrophobicContact CB-CE2 4.44Å; A341-F344 PolarHBondContact O-N 2.96Å; D342-F344 PolarHBondContact O-N 3.35Å; F344-V357 HydrophobicContact CD1-CG2 4.25Å; F344-V357 HydrophobicContact CE1-CG2 4.04Å
345S90.3Very high83.7Confident53 Ų5367.8 Ų67.837%0.37136%0.363SS..EExtended strand (participates in β ladder)trans-137.3-171.2-169.6-158.80000110.5P355 C356S345-P355 CarbonylContact O-C 3.54Å; S345-P355 WeakPolarHBondContact O-CA 3.49Å; S345-C356 CarbonylContact C-O 3.53Å; S345-C356 WeakPolarHBondContact CA-O 3.45Å; S345-C356 PolarHBondContact N-O 3.41Å; S345-C356 PolarHBondContact O-N 3.36Å
346E93.5Very high84.1Confident120 Ų12065.4 Ų65.456%0.56134%0.338SS*.EExtended strand (participates in β ladder)trans-144.2143.9170.958177.3-160.100108.9M353 V354E346-M353 HydrophobicContact CB-CG 3.88Å; E346-M353 HydrophobicContact CB-SD 3.82Å; E346-M353 HydrophobicContact CG-CG 3.94Å; E346-M353 HydrophobicContact CG-SD 3.73Å; E346-M353 WeakPolarHBondContact OE2-CG 3.31Å; E346-V354 WeakPolarHBondContact CA-O 3.41Å
347A93Very high84.6Confident19 Ų1958.7 Ų58.716%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-140163.3174.600000111.7I260 L261 F349 M353 V354I260-A347 HydrophobicContact CG2-CB 4.01Å; L261-A347 HydrophobicContact CD2-CB 4.37Å; A347-F349 PolarHBondContact O-N 3.43Å; A347-M353 VanDerWaalsContact C-SD 3.6Å; A347-V354 PolarHBondContact N-O 3.22Å; A347-V354 VanDerWaalsContact N-O 3.1Å; A347-V354 PolarHBondContact O-N 2.82Å
348I88.5Confident85.1Confident104 Ų10454.1 Ų54.153%0.53329%0.293SS..EExtended strand (participates in β ladder)trans-83.9110.4179.8-60.9175.2000109.4G263 R352 M353G263-I348 VanDerWaalsContact CA-O 3.27Å; G263-I348 WeakPolarHBondContact CA-O 3.37Å; I348-R352 CarbonylContact C-O 3.54Å; I348-R352 VanDerWaalsContact CA-O 3.25Å; I348-R352 WeakPolarHBondContact CA-O 3.25Å; I348-M353 HydrophobicContact CD1-CE 4.02Å; I348-M353 HydrophobicContact CG1-CE 3.37Å; I348-M353 HydrophobicContact CG1-SD 4.2Å
349F86.7Confident85.5Confident1 Ų149.1 Ų49.10%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-111.8118.6171.5-176-100000110.1F236 L237 W256 D259 I260 K264 Q265 A347 G351 R352 V354F236-F349 HydrophobicContact CD1-CD1 4.41Å; F236-F349 AromaticContact CD1-CE1 3.97Å; F236-F349 HydrophobicContact CD1-CE1 3.97Å; F236-F349 AromaticContact CE1-CD1 3.8Å; F236-F349 HydrophobicContact CE1-CD1 3.8Å; F236-F349 AromaticContact CE1-CE1 3.8Å; F236-F349 HydrophobicContact CE1-CE1 3.8Å; L237-F349 HydrophobicContact CD2-CD1 3.92Å; L237-F349 HydrophobicContact CD2-CE1 3.93Å; W256-F349 HydrophobicContact CE3-CZ 4.31Å; W256-F349 HydrophobicContact CZ3-CE1 4.17Å; W256-F349 AromaticContact CZ3-CZ 3.76Å; W256-F349 HydrophobicContact CZ3-CZ 3.76Å; D259-F349 HydrophobicContact CB-CE2 4.19Å; D259-F349 WeakPolarHBondContact O-CD2 3.33Å; I260-F349 HydrophobicContact CB-CB 4.3Å; I260-F349 HydrophobicContact CG1-CB 4.07Å; I260-F349 HydrophobicContact CG1-CD2 4.21Å; I260-F349 HydrophobicContact CG1-CG 4.1Å; I260-F349 HydrophobicContact CG2-CB 4.19Å; K264-F349 VanDerWaalsContact C-CE2 3.41Å; Q265-F349 HydrophobicContact CB-CZ 4.21Å; A347-F349 PolarHBondContact O-N 3.43Å; F349-G351 PolarHBondContact O-N 2.89Å; F349-G351 VanDerWaalsContact O-N 3.11Å; F349-R352 PolarHBondContact N-O 3.37Å; F349-R352 PolarHBondContact O-N 3.19Å; F349-V354 HydrophobicContact CB-CG2 4.1Å
350E76.9Confident86Confident99 Ų9953.8 Ų53.846%0.46329%0.292SS..THydrogen-bonded Turntrans49.838.2-177.9-59.4-169.5160.300114L237 R352L237-E350 WeakPolarHBondContact CD1-OE2 3.21Å; E350-R352 VanDerWaalsContact C-N 3.34Å; E350-R352 PolarHBondContact O-N 3.2Å; E350-R352 IonicContact OE2-NH2 2.66Å; E350-R352 PolarHBondContact OE2-NH2 3.24Å
351G76Confident86.5Confident70 Ų7048.1 Ų48.172%0.72227%0.266SS*.THydrogen-bonded Turntrans81.64.5178.800000115.5F349F349-G351 PolarHBondContact O-N 2.89Å; F349-G351 VanDerWaalsContact O-N 3.11Å
352R81.4Confident87.3Confident75 Ų7546 Ų4628%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-109.3142.9172.7-70.5176.7-69.9-126-27.4110.8I348 F349 E350 V354I348-R352 CarbonylContact C-O 3.54Å; I348-R352 VanDerWaalsContact CA-O 3.25Å; I348-R352 WeakPolarHBondContact CA-O 3.25Å; F349-R352 PolarHBondContact N-O 3.37Å; F349-R352 PolarHBondContact O-N 3.19Å; E350-R352 VanDerWaalsContact C-N 3.34Å; E350-R352 PolarHBondContact O-N 3.2Å; E350-R352 IonicContact OE2-NH2 2.66Å; E350-R352 PolarHBondContact OE2-NH2 3.24Å; R352-V354 HydrophobicContact CB-CG2 4.28Å
353M90.4Very high87.6Confident89 Ų8943.4 Ų43.444%0.43823%0.23SC..EExtended strand (participates in β ladder)trans-75.7123.2166.6-162.557.95900108.4E346 A347 I348E346-M353 HydrophobicContact CB-CG 3.88Å; E346-M353 HydrophobicContact CB-SD 3.82Å; E346-M353 HydrophobicContact CG-CG 3.94Å; E346-M353 HydrophobicContact CG-SD 3.73Å; E346-M353 WeakPolarHBondContact OE2-CG 3.31Å; A347-M353 VanDerWaalsContact C-SD 3.6Å; I348-M353 HydrophobicContact CD1-CE 4.02Å; I348-M353 HydrophobicContact CG1-CE 3.37Å; I348-M353 HydrophobicContact CG1-SD 4.2Å
354V94.3Very high87.6Confident0 Ų044.7 Ų44.70%024%0.24CC..EExtended strand (participates in β ladder)trans-125.5123.1179.3-171.90000108.8F236 I240 V252 I260 E346 A347 F349 R352 C356F236-V354 HydrophobicContact CZ-CG1 4.21Å; I240-V354 HydrophobicContact CD1-CG1 3.97Å; I240-V354 HydrophobicContact CG1-CG1 4.16Å; I240-V354 HydrophobicContact CG2-CG1 4.22Å; I240-V354 HydrophobicContact CG2-CG2 4.38Å; V252-V354 HydrophobicContact CG2-CG1 4.06Å; I260-V354 HydrophobicContact CD1-CB 4.33Å; I260-V354 HydrophobicContact CD1-CG1 3.82Å; I260-V354 HydrophobicContact CG1-CB 4.48Å; I260-V354 HydrophobicContact CG1-CG1 4.43Å; I260-V354 HydrophobicContact CG2-CB 4.06Å; E346-V354 WeakPolarHBondContact CA-O 3.41Å; A347-V354 PolarHBondContact N-O 3.22Å; A347-V354 VanDerWaalsContact N-O 3.1Å; A347-V354 PolarHBondContact O-N 2.82Å; F349-V354 HydrophobicContact CB-CG2 4.1Å; R352-V354 HydrophobicContact CB-CG2 4.28Å; V354-C356 PolarHBondContact O-N 2.89Å
355P95.4Very high87.2Confident28 Ų2845.1 Ų45.118%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-58127.9169.6-25.736000111.4Y250 W251 V252 S345Y250-P355 HydrophobicContact CE2-CB 4.22Å; Y250-P355 HydrophobicContact CE2-CG 4.2Å; Y250-P355 WeakPolarHBondContact O-CB 3.32Å; Y250-P355 WeakPolarHBondContact OH-CD 2.85Å; W251-P355 HydrophobicContact CG-CB 4.31Å; V252-P355 WeakPolarHBondContact CG2-O 3.42Å; V252-P355 PolarHBondContact N-O 3.27Å; S345-P355 CarbonylContact O-C 3.54Å; S345-P355 WeakPolarHBondContact O-CA 3.49Å
356C94.5Very high86.3Confident0 Ų043.3 Ų43.30%023%0.227CC..EExtended strand (participates in β ladder)trans-149.1160.7-179.568.10000111.1V252 I260 S345 V354V252-C356 HydrophobicContact CB-CB 4.41Å; V252-C356 WeakPolarHBondContact O-CA 3.42Å; I260-C356 HydrophobicContact CB-CB 4.22Å; I260-C356 HydrophobicContact CD1-CB 4Å; I260-C356 HydrophobicContact CG2-CB 3.83Å; S345-C356 CarbonylContact C-O 3.53Å; S345-C356 WeakPolarHBondContact CA-O 3.45Å; S345-C356 PolarHBondContact N-O 3.41Å; S345-C356 PolarHBondContact O-N 3.36Å; V354-C356 PolarHBondContact O-N 2.89Å
357V91.7Very high84.9Confident0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-65139.2170.9174.30000109.8V252 E253 D275 W343 F344 G361 Q362 F365V252-V357 PolarHBondContact O-N 2.86Å; E253-V357 HydrophobicContact CB-CG2 4.32Å; E253-V357 HydrophobicContact CG-CG2 3.97Å; D275-V357 WeakPolarHBondContact OD2-CG2 3.09Å; W343-V357 CarbonylContact O-C 3.33Å; W343-V357 VanDerWaalsContact O-CA 3.31Å; W343-V357 WeakPolarHBondContact O-CA 3.25Å; W343-V357 WeakPolarHBondContact O-CG1 3.48Å; F344-V357 HydrophobicContact CD1-CG2 4.25Å; F344-V357 HydrophobicContact CE1-CG2 4.04Å; V357-G361 VanDerWaalsContact CG1-C 3.47Å; V357-Q362 HydrophobicContact CB-CG 4.27Å; V357-Q362 HydrophobicContact CG1-CG 4.06Å; V357-F365 HydrophobicContact CG1-CD2 3.77Å; V357-F365 HydrophobicContact CG1-CE2 3.74Å; V357-F365 HydrophobicContact CG2-CE2 4.16Å
358S91.4Very high83.3Confident6 Ų644 Ų444%0.04226%0.258CS..  trans-66.4169.1-178.380.90000112D342 W343 E360 G361 Q362D342-S358 PolarHBondContact O-OG 3.11Å; W343-S358 WeakPolarHBondContact CA-OG 3.48Å; W343-S358 PolarHBondContact O-N 3.1Å; S358-E360 VanDerWaalsContact C-N 3.28Å; S358-E360 PolarHBondContact O-N 2.91Å; S358-E360 PolarHBondContact OG-N 3.47Å; S358-G361 PolarHBondContact O-N 2.83Å; S358-G361 PolarHBondContact OG-N 2.98Å; S358-G361 VanDerWaalsContact OG-N 3.11Å; S358-Q362 WeakPolarHBondContact O-CB 3.24Å; S358-Q362 VanDerWaalsContact O-CG 3.26Å; S358-Q362 WeakPolarHBondContact O-CG 3.38Å; S358-Q362 PolarHBondContact O-N 3.21Å
359V88.8Confident82.3Confident13 Ų1344.3 Ų44.38%0.07925%0.253CS..Hα-helixtrans-58.5-42.9177.31780000111.2L261 R363 L382 Y386L261-V359 HydrophobicContact CD1-CG2 4Å; L261-V359 HydrophobicContact CD2-CG2 4.3Å; V359-R363 WeakPolarHBondContact O-CG 3.33Å; V359-R363 PolarHBondContact O-N 2.87Å; V359-L382 HydrophobicContact CG1-CD1 4.24Å; V359-L382 HydrophobicContact CG1-CD2 4.19Å; V359-L382 HydrophobicContact CG1-CG 4.13Å; V359-L382 HydrophobicContact CG2-CD1 4.3Å; V359-Y386 HydrophobicContact CG1-CG 4.12Å; V359-Y386 HydrophobicContact CG2-CD1 3.82Å; V359-Y386 HydrophobicContact CG2-CD2 3.8Å; V359-Y386 HydrophobicContact CG2-CE1 4.05Å; V359-Y386 HydrophobicContact CG2-CE2 4.05Å; V359-Y386 HydrophobicContact CG2-CG 3.69Å
360E87.5Confident81.7Confident112 Ų11253.3 Ų53.352%0.52330%0.295SS..Hα-helixtrans-65.3-45.2176.8-67.172-157.900111.3S358 R363 L364S358-E360 VanDerWaalsContact C-N 3.28Å; S358-E360 PolarHBondContact O-N 2.91Å; S358-E360 PolarHBondContact OG-N 3.47Å; E360-R363 PolarHBondContact O-N 3.47Å; E360-L364 PolarHBondContact O-N 3.13Å
361G86.5Confident81.7Confident0 Ų051.4 Ų51.40%029%0.288CS..Hα-helixtrans-58.9-51.6176.100000111.3V357 S358 R363 L364 F365V357-G361 VanDerWaalsContact CG1-C 3.47Å; S358-G361 PolarHBondContact O-N 2.83Å; S358-G361 PolarHBondContact OG-N 2.98Å; S358-G361 VanDerWaalsContact OG-N 3.11Å; G361-R363 VanDerWaalsContact C-N 3.26Å; G361-R363 PolarHBondContact O-N 2.9Å; G361-L364 CarbonylContact O-C 3.42Å; G361-L364 WeakPolarHBondContact O-CA 3.38Å; G361-L364 WeakPolarHBondContact O-CB 3.4Å; G361-L364 PolarHBondContact O-N 3.23Å; G361-F365 WeakPolarHBondContact O-CD2 3.29Å; G361-F365 PolarHBondContact O-N 3.18Å
362Q86.3Confident81.9Confident0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-53.7-42.8179.6-75.2-69.9-12.900111.7I258 L261 V357 S358 L364 H366 L382I258-Q362 HydrophobicContact CG1-CG 4.21Å; L261-Q362 HydrophobicContact CD1-CG 3.94Å; V357-Q362 HydrophobicContact CB-CG 4.27Å; V357-Q362 HydrophobicContact CG1-CG 4.06Å; S358-Q362 WeakPolarHBondContact O-CB 3.24Å; S358-Q362 VanDerWaalsContact O-CG 3.26Å; S358-Q362 WeakPolarHBondContact O-CG 3.38Å; S358-Q362 PolarHBondContact O-N 3.21Å; Q362-L364 VanDerWaalsContact C-N 3.32Å; Q362-L364 PolarHBondContact O-N 3.22Å; Q362-H366 PolarHBondContact O-N 2.98Å; Q362-H366 PolarHBondContact O-ND1 2.84Å; Q362-L382 HydrophobicContact CB-CD2 3.87Å
363R85.1Confident81.9Confident57 Ų5760.3 Ų60.322%0.21531%0.305CS..Hα-helixtrans-63.2-37.5175.7-73.2170.5170.6146.53113.2V359 E360 G361 H366 S367 L379 L382 N383 Y386 V388V359-R363 WeakPolarHBondContact O-CG 3.33Å; V359-R363 PolarHBondContact O-N 2.87Å; E360-R363 PolarHBondContact O-N 3.47Å; G361-R363 VanDerWaalsContact C-N 3.26Å; G361-R363 PolarHBondContact O-N 2.9Å; R363-H366 CarbonylContact O-C 3.44Å; R363-S367 PolarHBondContact O-N 3.02Å; R363-L379 HydrophobicContact CG-CD2 4.46Å; R363-L382 HydrophobicContact CG-CD2 4.21Å; R363-N383 PolarHBondContact NE-OD1 3.47Å; R363-N383 VanDerWaalsContact NE-OD1 3.11Å; R363-N383 PolarHBondContact NH2-OD1 2.91Å; R363-Y386 PolarHBondContact NH2-O 3.39Å; R363-V388 VanDerWaalsContact CZ-CG2 3.46Å; R363-V388 VanDerWaalsContact NH2-CG2 3.33Å
364L79.2Confident81.3Confident71 Ų7158.8 Ų58.837%0.37230%0.298SS..Hα-helixtrans-77.4-40.9-178.1-17078.7000112.2W343 E360 G361 Q362 H366 S367W343-L364 HydrophobicContact CD2-CD2 4.37Å; W343-L364 HydrophobicContact CE3-CD2 3.78Å; W343-L364 HydrophobicContact CH2-CD2 3.04Å; W343-L364 HydrophobicContact CZ2-CD2 3.67Å; W343-L364 HydrophobicContact CZ3-CD2 3.07Å; E360-L364 PolarHBondContact O-N 3.13Å; G361-L364 CarbonylContact O-C 3.42Å; G361-L364 WeakPolarHBondContact O-CA 3.38Å; G361-L364 WeakPolarHBondContact O-CB 3.4Å; G361-L364 PolarHBondContact O-N 3.23Å; Q362-L364 VanDerWaalsContact C-N 3.32Å; Q362-L364 PolarHBondContact O-N 3.22Å; L364-H366 PolarHBondContact O-N 2.67Å; L364-S367 WeakPolarHBondContact CD1-OG 3.45Å; L364-S367 WeakPolarHBondContact O-CA 3.08Å; L364-S367 VanDerWaalsContact O-CB 3.28Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.15Å; L364-S367 PolarHBondContact O-OG 2.82Å
365F74.3Confident80.6Confident31 Ų3158.9 Ų58.914%0.13630%0.298CS..Hα-helixtrans-60.6-31.4173.2-77.8-79.2000111.1E253 F319 L339 V357 G361 S367 Y369E253-F365 HydrophobicContact CG-CD2 4.41Å; E253-F365 HydrophobicContact CG-CG 4.34Å; E253-F365 WeakPolarHBondContact OE1-CB 3.35Å; E253-F365 WeakPolarHBondContact OE1-CG 3.09Å; F319-F365 HydrophobicContact CZ-CE1 4.4Å; F319-F365 HydrophobicContact CZ-CZ 4.23Å; L339-F365 HydrophobicContact CD1-CE1 4.36Å; L339-F365 HydrophobicContact CD1-CZ 3.93Å; L339-F365 HydrophobicContact CD2-CZ 4.48Å; V357-F365 HydrophobicContact CG1-CD2 3.77Å; V357-F365 HydrophobicContact CG1-CE2 3.74Å; V357-F365 HydrophobicContact CG2-CE2 4.16Å; G361-F365 WeakPolarHBondContact O-CD2 3.29Å; G361-F365 PolarHBondContact O-N 3.18Å; F365-S367 PolarHBondContact O-N 3.34Å; F365-Y369 WeakPolarHBondContact O-CE1 3.36Å
366H70.7Confident80Confident14 Ų1461.2 Ų61.27%0.06531%0.309CS..THydrogen-bonded Turntrans-83.216.6169.2-65.785.5000114.1Q362 R363 L364 Y369 L371 L379Q362-H366 PolarHBondContact O-N 2.98Å; Q362-H366 PolarHBondContact O-ND1 2.84Å; R363-H366 CarbonylContact O-C 3.44Å; L364-H366 PolarHBondContact O-N 2.67Å; H366-Y369 PolarHBondContact CD2-OH 3.49Å; H366-Y369 VanDerWaalsContact CD2-OH 3.25Å; H366-L371 HydrophobicContact CB-CD2 4.07Å; H366-L371 WeakPolarHBondContact O-CD2 3.42Å; H366-L379 HydrophobicContact CB-CD1 3.91Å; H366-L379 HydrophobicContact CB-CD2 4.06Å; H366-L379 HydrophobicContact CB-CG 4.29Å
367S64.4Low79.5Confident65 Ų6565 Ų6546%0.45533%0.328SS..SBendtrans-114.9131.9174.781.70000109.8R363 L364 F365R363-S367 PolarHBondContact O-N 3.02Å; L364-S367 WeakPolarHBondContact CD1-OG 3.45Å; L364-S367 WeakPolarHBondContact O-CA 3.08Å; L364-S367 VanDerWaalsContact O-CB 3.28Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.15Å; L364-S367 PolarHBondContact O-OG 2.82Å; F365-S367 PolarHBondContact O-N 3.34Å
368G59.9Low79.1Confident88 Ų8865 Ų6591%0.90733%0.328SS*.SBendtrans113.7-4.1177.400000116
369Y66.7Low78.7Confident111 Ų11165.9 Ų65.944%0.43533%0.332SS..SBendtrans-133.7167.2170.459.6-95.9000112.3F365 H366 L371F365-Y369 WeakPolarHBondContact O-CE1 3.36Å; H366-Y369 PolarHBondContact CD2-OH 3.49Å; H366-Y369 VanDerWaalsContact CD2-OH 3.25Å; Y369-L371 HydrophobicContact CD2-CD2 4.41Å; Y369-L371 HydrophobicContact CE2-CD2 3.83Å; Y369-L371 PolarHBondContact O-N 2.86Å
370E74.4Confident78.6Confident190 Ų19069.5 Ų69.589%0.88835%0.351SS*.  trans-71.4110.9175.2-170.4178.5-178.500109.8R372E370-R372 PolarHBondContact O-N 3.41Å
371L77.1Confident78.5Confident59 Ų5966.4 Ų66.431%0.30934%0.336SS..  trans-62.3129.7-179.4-65.6178.2000111.6H366 Y369 D375 I376 L379H366-L371 HydrophobicContact CB-CD2 4.07Å; H366-L371 WeakPolarHBondContact O-CD2 3.42Å; Y369-L371 HydrophobicContact CD2-CD2 4.41Å; Y369-L371 HydrophobicContact CE2-CD2 3.83Å; Y369-L371 PolarHBondContact O-N 2.86Å; L371-D375 HydrophobicContact CB-CB 4.2Å; L371-D375 HydrophobicContact CD2-CB 3.77Å; L371-I376 HydrophobicContact CB-CG1 4.05Å; L371-I376 HydrophobicContact CD1-CG1 4.36Å; L371-L379 HydrophobicContact CD1-CD1 3.79Å; L371-L379 HydrophobicContact CD2-CD1 4.45Å
372R79.4Confident78.5Confident152 Ų15266.4 Ų66.457%0.57434%0.336SS*.  trans-71.6162.8168.4-55.1168.3-63.8-175.83.8108.7E370 I374 D375 I376E370-R372 PolarHBondContact O-N 3.41Å; R372-I374 HydrophobicContact CB-CG2 4.21Å; R372-I374 PolarHBondContact O-N 3.08Å; R372-I374 VanDerWaalsContact O-N 3.12Å; R372-D375 WeakPolarHBondContact CA-OD2 3.41Å; R372-D375 WeakPolarHBondContact CB-OD2 3.45Å; R372-D375 WeakPolarHBondContact CG-OD2 3.48Å; R372-D375 IonicContact CZ-OD1 3.41Å; R372-D375 IonicContact CZ-OD2 3.73Å; R372-D375 PolarHBondContact N-OD2 2.76Å; R372-D375 IonicContact NE-OD1 2.68Å; R372-D375 PolarHBondContact NE-OD1 2.82Å; R372-D375 IonicContact NE-OD2 3.76Å; R372-D375 PolarHBondContact NE-OD2 3.45Å; R372-D375 IonicContact NH2-OD1 3.96Å; R372-D375 PolarHBondContact NH2-OD1 3.11Å; R372-D375 IonicContact NH2-OD2 3.55Å; R372-D375 PolarHBondContact O-N 3.4Å; R372-D375 VanDerWaalsContact O-N 3.11Å; R372-I376 PolarHBondContact O-N 3.1Å
373K81.1Confident78.6Confident180 Ų18068.9 Ų68.978%0.78335%0.349SS*.Hα-helixtrans-55.1-32.6174.9-70.3-176.3-180178.70113.1I377K373-I377 WeakPolarHBondContact O-CG1 3.11Å; K373-I377 PolarHBondContact O-N 3.07Å
374I79.1Confident78.7Confident57 Ų5772.8 Ų72.829%0.29237%0.374SS..Hα-helixtrans-71.3-41.2-179.4-157.768.4000111.2R267 R372 I376 I377 D378R267-I374 VanDerWaalsContact CZ-CG1 3.46Å; R372-I374 HydrophobicContact CB-CG2 4.21Å; R372-I374 PolarHBondContact O-N 3.08Å; R372-I374 VanDerWaalsContact O-N 3.12Å; I374-I376 VanDerWaalsContact C-N 3.29Å; I374-I376 PolarHBondContact O-N 3.46Å; I374-I377 WeakPolarHBondContact O-CB 3.48Å; I374-I377 PolarHBondContact O-N 3.43Å; I374-D378 PolarHBondContact O-N 2.81Å
375D79.6Confident79Confident2 Ų272.6 Ų72.61%0.01138%0.379CS..Hα-helixtrans-63-38.8179.2-48.7-28.9000110.7L371 R372 D378 L379L371-D375 HydrophobicContact CB-CB 4.2Å; L371-D375 HydrophobicContact CD2-CB 3.77Å; R372-D375 WeakPolarHBondContact CA-OD2 3.41Å; R372-D375 WeakPolarHBondContact CB-OD2 3.45Å; R372-D375 WeakPolarHBondContact CG-OD2 3.48Å; R372-D375 IonicContact CZ-OD1 3.41Å; R372-D375 IonicContact CZ-OD2 3.73Å; R372-D375 PolarHBondContact N-OD2 2.76Å; R372-D375 IonicContact NE-OD1 2.68Å; R372-D375 PolarHBondContact NE-OD1 2.82Å; R372-D375 IonicContact NE-OD2 3.76Å; R372-D375 PolarHBondContact NE-OD2 3.45Å; R372-D375 IonicContact NH2-OD1 3.96Å; R372-D375 PolarHBondContact NH2-OD1 3.11Å; R372-D375 IonicContact NH2-OD2 3.55Å; R372-D375 PolarHBondContact O-N 3.4Å; R372-D375 VanDerWaalsContact O-N 3.11Å; D375-D378 PolarHBondContact O-N 3.38Å; D375-L379 WeakPolarHBondContact O-CB 3.31Å; D375-L379 WeakPolarHBondContact O-CG 3.3Å; D375-L379 PolarHBondContact O-N 3.21Å
376I83Confident79.6Confident77 Ų7775.5 Ų75.540%0.39539%0.39SS..Hα-helixtrans-61.8-44.5173.6-62.4170.9000111.1L371 R372 I374 D378 L379 D380L371-I376 HydrophobicContact CB-CG1 4.05Å; L371-I376 HydrophobicContact CD1-CG1 4.36Å; R372-I376 PolarHBondContact O-N 3.1Å; I374-I376 VanDerWaalsContact C-N 3.29Å; I374-I376 PolarHBondContact O-N 3.46Å; I376-D378 VanDerWaalsContact C-N 3.33Å; I376-D378 PolarHBondContact O-N 3.09Å; I376-L379 PolarHBondContact O-N 2.64Å; I376-D380 WeakPolarHBondContact O-CB 3.18Å; I376-D380 VanDerWaalsContact O-CG 3.24Å; I376-D380 PolarHBondContact O-N 2.83Å
377I82.5Confident80.2Confident80 Ų8079.6 Ų79.641%0.4142%0.417SS..Hα-helixtrans-62.8-41.5180-70.7165000111K373 I374 D380 K381K373-I377 WeakPolarHBondContact O-CG1 3.11Å; K373-I377 PolarHBondContact O-N 3.07Å; I374-I377 WeakPolarHBondContact O-CB 3.48Å; I374-I377 PolarHBondContact O-N 3.43Å; I377-D380 PolarHBondContact O-N 2.85Å; I377-K381 WeakPolarHBondContact O-CG 3.33Å; I377-K381 PolarHBondContact O-N 2.91Å; I377-K381 VanDerWaalsContact O-N 3.17Å
378D83.1Confident80.8Confident1 Ų180 Ų801%0.00542%0.417CS..Hα-helixtrans-73.9-38.3-177.5-62.9-28.7000111.3I258 R267 I374 D375 I376 K381 L382I258-D378 HydrophobicContact CD1-CB 3.58Å; I258-D378 HydrophobicContact CG2-CB 4.5Å; R267-D378 IonicContact CZ-OD2 3.24Å; R267-D378 VanDerWaalsContact CZ-OD2 3.25Å; R267-D378 IonicContact NE-OD1 3.99Å; R267-D378 PolarHBondContact NE-OD1 2.86Å; R267-D378 VanDerWaalsContact NE-OD1 3.1Å; R267-D378 IonicContact NE-OD2 2.64Å; R267-D378 PolarHBondContact NE-OD2 3.02Å; R267-D378 IonicContact NH2-OD2 3.51Å; R267-D378 PolarHBondContact NH2-OD2 3.46Å; I374-D378 PolarHBondContact O-N 2.81Å; D375-D378 PolarHBondContact O-N 3.38Å; I376-D378 VanDerWaalsContact C-N 3.33Å; I376-D378 PolarHBondContact O-N 3.09Å; D378-K381 PolarHBondContact O-N 2.99Å; D378-K381 IonicContact OD1-NZ 2.64Å; D378-K381 PolarHBondContact OD1-NZ 2.65Å; D378-K381 VanDerWaalsContact OD1-NZ 3.11Å; D378-L382 WeakPolarHBondContact O-CB 3.49Å; D378-L382 PolarHBondContact O-N 3.1Å
379L83.9Confident81.3Confident23 Ų2381.7 Ų81.712%0.1241%0.405CS..Hα-helixtrans-63.7-38.4170.6-72.8176.6000112.9R363 H366 L371 D375 I376 L382 N383R363-L379 HydrophobicContact CG-CD2 4.46Å; H366-L379 HydrophobicContact CB-CD1 3.91Å; H366-L379 HydrophobicContact CB-CD2 4.06Å; H366-L379 HydrophobicContact CB-CG 4.29Å; L371-L379 HydrophobicContact CD1-CD1 3.79Å; L371-L379 HydrophobicContact CD2-CD1 4.45Å; D375-L379 WeakPolarHBondContact O-CB 3.31Å; D375-L379 WeakPolarHBondContact O-CG 3.3Å; D375-L379 PolarHBondContact O-N 3.21Å; I376-L379 PolarHBondContact O-N 2.64Å; L379-L382 HydrophobicContact CD2-CD2 4.45Å; L379-L382 PolarHBondContact O-N 3.06Å; L379-N383 VanDerWaalsContact O-CB 3.29Å; L379-N383 WeakPolarHBondContact O-CB 3.41Å; L379-N383 PolarHBondContact O-N 3.34Å; L379-N383 PolarHBondContact O-ND2 2.83Å
380D87.1Confident80.9Confident89 Ų8983.4 Ų83.448%0.47642%0.422SS..Hα-helixtrans-60.6-46.4175.9-78.6-15.4000110.6I376 I377 L382 N383 D384I376-D380 WeakPolarHBondContact O-CB 3.18Å; I376-D380 VanDerWaalsContact O-CG 3.24Å; I376-D380 PolarHBondContact O-N 2.83Å; I377-D380 PolarHBondContact O-N 2.85Å; D380-L382 PolarHBondContact O-N 3.06Å; D380-N383 PolarHBondContact O-N 3.36Å; D380-D384 WeakPolarHBondContact O-CB 3.07Å; D380-D384 PolarHBondContact O-N 3.05Å
381K85.8Confident79.6Confident48 Ų4878.6 Ų78.621%0.20941%0.41CS..Hα-helixtrans-62.8-42176.1-66.4166.1-172.3162.80112.6L262 T266 I377 D378 N383 D384 S385L262-K381 HydrophobicContact CD1-CB 4.02Å; T266-K381 HydrophobicContact CG2-CD 4.36Å; T266-K381 PolarHBondContact OG1-NZ 2.89Å; I377-K381 WeakPolarHBondContact O-CG 3.33Å; I377-K381 PolarHBondContact O-N 2.91Å; I377-K381 VanDerWaalsContact O-N 3.17Å; D378-K381 PolarHBondContact O-N 2.99Å; D378-K381 IonicContact OD1-NZ 2.64Å; D378-K381 PolarHBondContact OD1-NZ 2.65Å; D378-K381 VanDerWaalsContact OD1-NZ 3.11Å; K381-N383 VanDerWaalsContact C-N 3.34Å; K381-D384 PolarHBondContact O-N 3.33Å; K381-S385 PolarHBondContact O-N 3.39Å; K381-S385 VanDerWaalsContact O-N 3.15Å; K381-S385 PolarHBondContact O-OG 3.09Å
382L86.6Confident77.7Confident0 Ų088.1 Ų88.10%045%0.452CS..Hα-helixtrans-61.8-45.8177.6-173.271.3000110I258 L261 V359 Q362 R363 D378 L379 D380 S385 Y386I258-L382 HydrophobicContact CG2-CB 4.36Å; I258-L382 HydrophobicContact CG2-CD1 4.42Å; L261-L382 HydrophobicContact CB-CD1 4.47Å; L261-L382 HydrophobicContact CD1-CD1 3.82Å; V359-L382 HydrophobicContact CG1-CD1 4.24Å; V359-L382 HydrophobicContact CG1-CD2 4.19Å; V359-L382 HydrophobicContact CG1-CG 4.13Å; V359-L382 HydrophobicContact CG2-CD1 4.3Å; Q362-L382 HydrophobicContact CB-CD2 3.87Å; R363-L382 HydrophobicContact CG-CD2 4.21Å; D378-L382 WeakPolarHBondContact O-CB 3.49Å; D378-L382 PolarHBondContact O-N 3.1Å; L379-L382 HydrophobicContact CD2-CD2 4.45Å; L379-L382 PolarHBondContact O-N 3.06Å; D380-L382 PolarHBondContact O-N 3.06Å; L382-S385 PolarHBondContact O-N 3.37Å; L382-Y386 HydrophobicContact CD1-CD2 4Å; L382-Y386 HydrophobicContact CD1-CE2 4.46Å; L382-Y386 WeakPolarHBondContact O-CA 3.37Å; L382-Y386 WeakPolarHBondContact O-CB 3.27Å; L382-Y386 PolarHBondContact O-N 3.15Å
383N87.8Confident77.6Confident52 Ų5285 Ų8528%0.27845%0.446SS..Hα-helixtrans-69.9-33.1179.3-69.4-33.1000113.2R363 L379 D380 K381 S385 Y386 P387R363-N383 PolarHBondContact NE-OD1 3.47Å; R363-N383 VanDerWaalsContact NE-OD1 3.11Å; R363-N383 PolarHBondContact NH2-OD1 2.91Å; L379-N383 VanDerWaalsContact O-CB 3.29Å; L379-N383 WeakPolarHBondContact O-CB 3.41Å; L379-N383 PolarHBondContact O-N 3.34Å; L379-N383 PolarHBondContact O-ND2 2.83Å; D380-N383 PolarHBondContact O-N 3.36Å; K381-N383 VanDerWaalsContact C-N 3.34Å; N383-S385 VanDerWaalsContact C-N 3.29Å; N383-Y386 CarbonylContact O-C 3.5Å; N383-P387 VanDerWaalsContact O-CA 3.24Å; N383-P387 WeakPolarHBondContact O-CA 3.02Å; N383-P387 VanDerWaalsContact O-N 3.14Å
384D86.6Confident77.5Confident138 Ų13879.9 Ų79.974%0.73843%0.429SS*.Hα-helixtrans-63.9-37.2173.1-82-12.7000111.6D380 K381D380-D384 WeakPolarHBondContact O-CB 3.07Å; D380-D384 PolarHBondContact O-N 3.05Å; K381-D384 PolarHBondContact O-N 3.33Å
385S85.9Confident77.4Confident68 Ų6881.2 Ų81.248%0.47644%0.436SS..Hα-helixtrans-86.7-32.6-178-53.40000112.7L262 K381 L382 N383L262-S385 VanDerWaalsContact CD2-CB 3.45Å; L262-S385 WeakPolarHBondContact CD2-OG 3.26Å; K381-S385 PolarHBondContact O-N 3.39Å; K381-S385 VanDerWaalsContact O-N 3.15Å; K381-S385 PolarHBondContact O-OG 3.09Å; L382-S385 PolarHBondContact O-N 3.37Å; N383-S385 VanDerWaalsContact C-N 3.29Å
386Y86.5Confident77.2Confident92 Ų9285.9 Ų85.936%0.36146%0.461SS..SBendtrans-129.277.2179.2-60.1-86.2000109.9L261 L262 V359 R363 L382 N383 V388L261-Y386 HydrophobicContact CB-CE2 4.26Å; L261-Y386 PolarHBondContact O-OH 3.36Å; L262-Y386 HydrophobicContact CD2-CE2 4.44Å; V359-Y386 HydrophobicContact CG1-CG 4.12Å; V359-Y386 HydrophobicContact CG2-CD1 3.82Å; V359-Y386 HydrophobicContact CG2-CD2 3.8Å; V359-Y386 HydrophobicContact CG2-CE1 4.05Å; V359-Y386 HydrophobicContact CG2-CE2 4.05Å; V359-Y386 HydrophobicContact CG2-CG 3.69Å; R363-Y386 PolarHBondContact NH2-O 3.39Å; L382-Y386 HydrophobicContact CD1-CD2 4Å; L382-Y386 HydrophobicContact CD1-CE2 4.46Å; L382-Y386 WeakPolarHBondContact O-CA 3.37Å; L382-Y386 WeakPolarHBondContact O-CB 3.27Å; L382-Y386 PolarHBondContact O-N 3.15Å; N383-Y386 CarbonylContact O-C 3.5Å; Y386-V388 PolarHBondContact O-N 2.61Å
387P83.9Confident76.9Confident99 Ų9986.4 Ų86.464%0.64347%0.465SS*.  trans-55.4138.8-179.6-25.434.2000112.2N383 D389N383-P387 VanDerWaalsContact O-CA 3.24Å; N383-P387 WeakPolarHBondContact O-CA 3.02Å; N383-P387 VanDerWaalsContact O-N 3.14Å; P387-D389 PolarHBondContact O-N 2.88Å
388V77.5Confident76.5Confident74 Ų7486.9 Ų86.945%0.44847%0.469SS..  trans-64119.9171.5-175.70000108.1R363 Y386 N390R363-V388 VanDerWaalsContact CZ-CG2 3.46Å; R363-V388 VanDerWaalsContact NH2-CG2 3.33Å; Y386-V388 PolarHBondContact O-N 2.61Å; V388-N390 WeakPolarHBondContact CG1-OD1 3.23Å; V388-N390 PolarHBondContact O-N 2.94Å
389D69.7Low76.1Confident123 Ų12393 Ų9366%0.65850%0.502SS*.  trans-72.494.4171.6-1701.8000109.3P387 S391P387-D389 PolarHBondContact O-N 2.88Å; D389-S391 PolarHBondContact O-N 3.18Å; D389-S391 VanDerWaalsContact O-N 3.1Å; D389-S391 WeakPolarHBondContact OD1-CB 3.45Å; D389-S391 PolarHBondContact OD1-N 2.76Å; D389-S391 VanDerWaalsContact OD1-N 3.09Å; D389-S391 PolarHBondContact OD1-OG 2.82Å; D389-S391 PolarHBondContact OD2-OG 3.23Å; D389-S391 VanDerWaalsContact OD2-OG 3.06Å
390N58.8Low75.4Confident147 Ų14798.4 Ų98.479%0.78653%0.532SS*.  trans-7620.2175.5-73.9-26.2000112.8V388V388-N390 WeakPolarHBondContact CG1-OD1 3.23Å; V388-N390 PolarHBondContact O-N 2.94Å
391S47.5Very low74.5Confident90 Ų9099.2 Ų99.263%0.62954%0.536SS*.  trans-90.117.6-177.674.30000116D389D389-S391 PolarHBondContact O-N 3.18Å; D389-S391 VanDerWaalsContact O-N 3.1Å; D389-S391 WeakPolarHBondContact OD1-CB 3.45Å; D389-S391 PolarHBondContact OD1-N 2.76Å; D389-S391 VanDerWaalsContact OD1-N 3.09Å; D389-S391 PolarHBondContact OD1-OG 2.82Å; D389-S391 PolarHBondContact OD2-OG 3.23Å; D389-S391 VanDerWaalsContact OD2-OG 3.06Å
392Q37.3Very low73.4Confident259 Ų259103.8 Ų103.8100%1.2157%0.566SS**  trans-100.20169.6-69.2-163.530.400113.8

Retrieved 392 of 392 residues in 276.4 ms (Link to these results)

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