A0A077YWG0_TRITR Loading...

CRAL TRIO domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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
1M76.4Confident88.1Confident202 Ų20264.5 Ų64.5100%0.99534%0.344SS*.  0-48.20-69.4-142-69.800112.7F3 R4 K5M1-F3 VanDerWaalsContact C-N 3.35Å; M1-F3 PolarHBondContact O-N 2.82Å; M1-R4 PolarHBondContact O-N 3Å; M1-K5 PolarHBondContact O-N 3.05Å; M1-K5 VanDerWaalsContact O-N 3.09Å
2I86.5Confident88.3Confident76 Ų7659.3 Ų59.339%0.3932%0.316SS..Hα-helixtrans-51.6-50.8178.8-62.6149.7000111.9R4 K5 A6 P278 P281I2-R4 PolarHBondContact O-N 3.21Å; I2-K5 PolarHBondContact O-N 2.93Å; I2-A6 VanDerWaalsContact O-CB 3.26Å; I2-A6 WeakPolarHBondContact O-CB 3.31Å; I2-A6 PolarHBondContact O-N 2.94Å; I2-P278 HydrophobicContact CD1-CB 4.32Å; I2-P278 HydrophobicContact CD1-CG 3.52Å; I2-P278 HydrophobicContact CG1-CG 4.38Å; I2-P281 HydrophobicContact CG2-CB 4.39Å
3F90.1Very high88.6Confident10 Ų1060.8 Ų60.84%0.04432%0.323CS..Hα-helixtrans-55.8-49.9177.9174.3-109.9000113.5M1 K5 A6 W7 L9 L67 L120 N124 Y125 P281 I283M1-F3 VanDerWaalsContact C-N 3.35Å; M1-F3 PolarHBondContact O-N 2.82Å; F3-K5 VanDerWaalsContact C-N 3.32Å; F3-K5 PolarHBondContact O-N 3.18Å; F3-A6 PolarHBondContact O-N 3.03Å; F3-W7 AromaticContact CD2-CD1 3.53Å; F3-W7 HydrophobicContact CD2-CD2 4.48Å; F3-W7 HydrophobicContact CD2-CG 4.01Å; F3-W7 AromaticContact CD2-NE1 3.73Å; F3-W7 HydrophobicContact CE2-CB 4.46Å; F3-W7 AromaticContact CE2-CD1 3.57Å; F3-W7 AromaticContact CE2-CD2 3.76Å; F3-W7 HydrophobicContact CE2-CD2 3.76Å; F3-W7 AromaticContact CE2-CE2 3.66Å; F3-W7 AromaticContact CE2-CG 3.68Å; F3-W7 HydrophobicContact CE2-CG 3.68Å; F3-W7 HydrophobicContact CE2-CZ2 4.29Å; F3-W7 AromaticContact CE2-NE1 3.57Å; F3-W7 HydrophobicContact CZ-CD2 4.37Å; F3-W7 HydrophobicContact CZ-CG 4.35Å; F3-W7 WeakPolarHBondContact O-CB 3.43Å; F3-W7 PolarHBondContact O-N 3.29Å; F3-L9 HydrophobicContact CD1-CD1 3.72Å; F3-L9 HydrophobicContact CE1-CD1 3.38Å; F3-L9 HydrophobicContact CZ-CD1 4.16Å; F3-L67 HydrophobicContact CE1-CD1 4.43Å; F3-L67 HydrophobicContact CE2-CD1 4.42Å; F3-L67 HydrophobicContact CZ-CD1 3.59Å; F3-L120 HydrophobicContact CD2-CD2 3.99Å; F3-L120 HydrophobicContact CE2-CD1 3.96Å; F3-L120 HydrophobicContact CE2-CD2 3.58Å; F3-L120 HydrophobicContact CE2-CG 4.22Å; F3-L120 HydrophobicContact CZ-CB 4.22Å; F3-L120 HydrophobicContact CZ-CD1 4.23Å; F3-L120 HydrophobicContact CZ-CD2 4.08Å; F3-L120 HydrophobicContact CZ-CG 4.41Å; F3-N124 WeakPolarHBondContact CB-OD1 3.46Å; F3-N124 HydrophobicContact CD1-CB 3.72Å; F3-N124 WeakPolarHBondContact CD1-OD1 3.3Å; F3-N124 HydrophobicContact CE1-CB 3.78Å; F3-Y125 HydrophobicContact CE1-CE2 4.13Å; F3-P281 HydrophobicContact CB-CG 4.37Å; F3-P281 HydrophobicContact CD2-CG 4.15Å; F3-I283 HydrophobicContact CD2-CD1 4.47Å; F3-I283 HydrophobicContact CE2-CD1 4.4Å
4R90.7Very high88.9Confident79 Ų7965.2 Ų65.230%0.29835%0.354SS..Hα-helixtrans-56.5-45.2177.7-68.8-165.469.379.10.3112.1M1 I2 G8 L9 D10 E71M1-R4 PolarHBondContact O-N 3Å; I2-R4 PolarHBondContact O-N 3.21Å; R4-G8 PolarHBondContact O-N 2.88Å; R4-G8 VanDerWaalsContact O-N 3.1Å; R4-L9 HydrophobicContact CB-CB 4.25Å; R4-L9 HydrophobicContact CB-CD1 4.39Å; R4-L9 HydrophobicContact CG-CB 4.37Å; R4-L9 HydrophobicContact CG-CD1 3.97Å; R4-L9 PolarHBondContact O-N 2.81Å; R4-D10 IonicContact CZ-OD1 2.79Å; R4-D10 VanDerWaalsContact CZ-OD1 3.25Å; R4-D10 IonicContact NE-OD1 3.33Å; R4-D10 PolarHBondContact NE-OD1 3.21Å; R4-D10 IonicContact NH2-OD1 2.81Å; R4-D10 PolarHBondContact NH2-OD1 3.17Å; R4-E71 IonicContact CZ-OE1 2.85Å; R4-E71 IonicContact NH1-OE1 2.72Å; R4-E71 PolarHBondContact NH1-OE1 3.38Å; R4-E71 IonicContact NH2-OE1 3.87Å; R4-E71 IonicContact NH2-OE2 2.75Å
5K90.2Very high89Confident120 Ų12068.2 Ų68.252%0.52238%0.376SS..Hα-helixtrans-65-53.8177.8-174.8179.9-179.8-179.10111.2M1 I2 F3 W7 G8 E299M1-K5 PolarHBondContact O-N 3.05Å; M1-K5 VanDerWaalsContact O-N 3.09Å; I2-K5 PolarHBondContact O-N 2.93Å; F3-K5 VanDerWaalsContact C-N 3.32Å; F3-K5 PolarHBondContact O-N 3.18Å; K5-W7 VanDerWaalsContact C-N 3.28Å; K5-W7 PolarHBondContact O-N 3.49Å; K5-G8 PolarHBondContact O-N 2.92Å; K5-E299 WeakPolarHBondContact CE-OE1 3.33Å; K5-E299 IonicContact NZ-OE1 2.91Å; K5-E299 PolarHBondContact NZ-OE1 2.91Å; K5-E299 IonicContact NZ-OE2 2.73Å; K5-E299 PolarHBondContact NZ-OE2 3.39Å
6A88.5Confident89.3Confident31 Ų3166.6 Ų66.626%0.25636%0.362SS..Hα-helixtrans-59.3-37-176.200000113I2 F3 L279 F280 P281I2-A6 VanDerWaalsContact O-CB 3.26Å; I2-A6 WeakPolarHBondContact O-CB 3.31Å; I2-A6 PolarHBondContact O-N 2.94Å; F3-A6 PolarHBondContact O-N 3.03Å; A6-L279 WeakPolarHBondContact CB-O 3.43Å; A6-F280 HydrophobicContact CB-CD2 3.83Å; A6-F280 HydrophobicContact CB-CE2 4.31Å; A6-F280 HydrophobicContact CB-CG 4.37Å; A6-P281 VanDerWaalsContact CB-CD 3.47Å; A6-P281 HydrophobicContact CB-CG 4.49Å
7W90.7Very high89.6Confident6 Ų674 Ų742%0.02339%0.39CS..THydrogen-bonded Turntrans-91.2-2.7178.9-77.362.1000113.7F3 K5 L9 V63 K64 L67 L120 F280 I283 F285F3-W7 AromaticContact CD2-CD1 3.53Å; F3-W7 HydrophobicContact CD2-CD2 4.48Å; F3-W7 HydrophobicContact CD2-CG 4.01Å; F3-W7 AromaticContact CD2-NE1 3.73Å; F3-W7 HydrophobicContact CE2-CB 4.46Å; F3-W7 AromaticContact CE2-CD1 3.57Å; F3-W7 AromaticContact CE2-CD2 3.76Å; F3-W7 HydrophobicContact CE2-CD2 3.76Å; F3-W7 AromaticContact CE2-CE2 3.66Å; F3-W7 AromaticContact CE2-CG 3.68Å; F3-W7 HydrophobicContact CE2-CG 3.68Å; F3-W7 HydrophobicContact CE2-CZ2 4.29Å; F3-W7 AromaticContact CE2-NE1 3.57Å; F3-W7 HydrophobicContact CZ-CD2 4.37Å; F3-W7 HydrophobicContact CZ-CG 4.35Å; F3-W7 WeakPolarHBondContact O-CB 3.43Å; F3-W7 PolarHBondContact O-N 3.29Å; K5-W7 VanDerWaalsContact C-N 3.28Å; K5-W7 PolarHBondContact O-N 3.49Å; W7-L9 VanDerWaalsContact C-N 3.28Å; W7-L9 HydrophobicContact CB-CD2 3.78Å; W7-L9 HydrophobicContact CB-CG 3.94Å; W7-L9 PolarHBondContact O-N 2.86Å; W7-V63 HydrophobicContact CH2-CB 3.95Å; W7-V63 HydrophobicContact CH2-CG1 3.54Å; W7-V63 HydrophobicContact CZ3-CB 4.23Å; W7-V63 HydrophobicContact CZ3-CG1 3.85Å; W7-K64 HydrophobicContact CE3-CB 4.07Å; W7-K64 HydrophobicContact CE3-CD 4.17Å; W7-K64 HydrophobicContact CE3-CG 4.02Å; W7-K64 HydrophobicContact CZ3-CB 3.67Å; W7-K64 HydrophobicContact CZ3-CD 4.46Å; W7-K64 HydrophobicContact CZ3-CG 4.16Å; W7-K64 WeakPolarHBondContact O-CE 3.42Å; W7-K64 PolarHBondContact O-NZ 3.05Å; W7-L67 HydrophobicContact CE3-CD1 3.83Å; W7-L67 HydrophobicContact CZ3-CD1 3.88Å; W7-L120 HydrophobicContact CH2-CD1 4.26Å; W7-L120 HydrophobicContact CZ2-CD1 4.07Å; W7-F280 AromaticContact NE1-CE2 3.97Å; W7-F280 AromaticContact NE1-CZ 3.53Å; W7-I283 HydrophobicContact CZ2-CD1 3.48Å; W7-I283 VanDerWaalsContact CZ2-CD1 3.48Å; W7-I283 VanDerWaalsContact NE1-CD1 3.28Å; W7-F285 AromaticContact CH2-CE1 3.88Å; W7-F285 HydrophobicContact CH2-CE1 3.88Å; W7-F285 AromaticContact CH2-CZ 3.73Å; W7-F285 HydrophobicContact CH2-CZ 3.73Å; W7-F285 AromaticContact CZ2-CE1 3.96Å; W7-F285 HydrophobicContact CZ2-CE1 3.96Å; W7-F285 HydrophobicContact CZ2-CE2 4.5Å; W7-F285 AromaticContact CZ2-CZ 3.41Å; W7-F285 HydrophobicContact CZ2-CZ 3.41Å; W7-F285 VanDerWaalsContact CZ2-CZ 3.41Å
8G90.4Very high89.9Confident32 Ų3273.3 Ų73.333%0.3338%0.383SS..THydrogen-bonded Turntrans62.533.9-178.200000113R4 K5 D10 G11 L12R4-G8 PolarHBondContact O-N 2.88Å; R4-G8 VanDerWaalsContact O-N 3.1Å; K5-G8 PolarHBondContact O-N 2.92Å; G8-D10 VanDerWaalsContact C-N 3.25Å; G8-D10 PolarHBondContact O-N 2.83Å; G8-G11 CarbonylContact O-C 3.48Å; G8-G11 PolarHBondContact O-N 3.28Å; G8-G11 VanDerWaalsContact O-N 3.08Å; G8-L12 WeakPolarHBondContact O-CA 3.44Å; G8-L12 PolarHBondContact O-N 3.09Å
9L89.1Confident90.2Very high3 Ų370.9 Ų70.92%0.01637%0.372CS..G310 helixtrans-59.2-35.1-172.3-63.2-170.7000112.8F3 R4 W7 G11 L12 Y125F3-L9 HydrophobicContact CD1-CD1 3.72Å; F3-L9 HydrophobicContact CE1-CD1 3.38Å; F3-L9 HydrophobicContact CZ-CD1 4.16Å; R4-L9 HydrophobicContact CB-CB 4.25Å; R4-L9 HydrophobicContact CB-CD1 4.39Å; R4-L9 HydrophobicContact CG-CB 4.37Å; R4-L9 HydrophobicContact CG-CD1 3.97Å; R4-L9 PolarHBondContact O-N 2.81Å; W7-L9 VanDerWaalsContact C-N 3.28Å; W7-L9 HydrophobicContact CB-CD2 3.78Å; W7-L9 HydrophobicContact CB-CG 3.94Å; W7-L9 PolarHBondContact O-N 2.86Å; L9-G11 VanDerWaalsContact C-N 3.27Å; L9-G11 PolarHBondContact O-N 2.83Å; L9-L12 HydrophobicContact CD2-CD2 3.73Å; L9-L12 VanDerWaalsContact O-CB 3.3Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.3Å; L9-Y125 VanDerWaalsContact CD1-OH 3.24Å; L9-Y125 WeakPolarHBondContact CD1-OH 3.3Å
10D87.9Confident90.5Very high129 Ų12972.6 Ų72.669%0.6938%0.378SS*.G310 helixtrans-67.8-26.3179.9-58.8-26000113.1R4 G8R4-D10 IonicContact CZ-OD1 2.79Å; R4-D10 VanDerWaalsContact CZ-OD1 3.25Å; R4-D10 IonicContact NE-OD1 3.33Å; R4-D10 PolarHBondContact NE-OD1 3.21Å; R4-D10 IonicContact NH2-OD1 2.81Å; R4-D10 PolarHBondContact NH2-OD1 3.17Å; G8-D10 VanDerWaalsContact C-N 3.25Å; G8-D10 PolarHBondContact O-N 2.83Å
11G89Confident90.9Very high21 Ų2169.4 Ų69.422%0.21636%0.362CS..G310 helixtrans-103.3-3.9175.800000113.8G8 L9 L13 T14 T15G8-G11 CarbonylContact O-C 3.48Å; G8-G11 PolarHBondContact O-N 3.28Å; G8-G11 VanDerWaalsContact O-N 3.08Å; L9-G11 VanDerWaalsContact C-N 3.27Å; L9-G11 PolarHBondContact O-N 2.83Å; G11-L13 VanDerWaalsContact C-N 3.25Å; G11-L13 PolarHBondContact O-N 3.09Å; G11-L13 VanDerWaalsContact O-N 3.08Å; G11-T14 PolarHBondContact O-N 2.97Å; G11-T14 PolarHBondContact O-OG1 3.06Å; G11-T14 VanDerWaalsContact O-OG1 3.05Å; G11-T15 PolarHBondContact O-N 2.89Å; G11-T15 PolarHBondContact O-OG1 3.08Å
12L90.4Very high91.9Very high2 Ų259.9 Ų59.91%0.0132%0.315CS..Hα-helixtrans-53.7-40.5-163.8-175.966.6000113.4G8 L9 T14 W16 K64 T68 E71G8-L12 WeakPolarHBondContact O-CA 3.44Å; G8-L12 PolarHBondContact O-N 3.09Å; L9-L12 HydrophobicContact CD2-CD2 3.73Å; L9-L12 VanDerWaalsContact O-CB 3.3Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.3Å; L12-T14 PolarHBondContact O-N 3.27Å; L12-W16 HydrophobicContact CD1-CB 3.9Å; L12-W16 HydrophobicContact CD1-CD2 4.12Å; L12-W16 HydrophobicContact CD1-CE3 3.92Å; L12-W16 HydrophobicContact CD1-CG 4.14Å; L12-K64 HydrophobicContact CD1-CD 4.27Å; L12-K64 HydrophobicContact CD1-CG 3.86Å; L12-T68 HydrophobicContact CD2-CG2 4.42Å; L12-T68 VanDerWaalsContact CD2-OG1 3.29Å; L12-T68 WeakPolarHBondContact CD2-OG1 3.33Å; L12-T68 HydrophobicContact CG-CG2 4.29Å; L12-T68 WeakPolarHBondContact CG-OG1 3.36Å; L12-E71 HydrophobicContact CD2-CG 4.15Å
13L92.2Very high92.4Very high79 Ų7958.7 Ų58.741%0.41431%0.312SS..Hα-helixtrans-69.9-15.3-177.9-54.5-168.5000113.6G11 T68 E71 E72 A75G11-L13 VanDerWaalsContact C-N 3.25Å; G11-L13 PolarHBondContact O-N 3.09Å; G11-L13 VanDerWaalsContact O-N 3.08Å; L13-T68 HydrophobicContact CD2-CG2 3.82Å; L13-E71 HydrophobicContact CD2-CB 3.9Å; L13-E71 HydrophobicContact CG-CB 4.46Å; L13-E72 HydrophobicContact CD1-CG 4.4Å; L13-E72 HydrophobicContact CD2-CG 3.57Å; L13-A75 HydrophobicContact CD1-CB 4.37Å
14T92.1Very high92.7Very high123 Ų12361.3 Ų61.376%0.75532%0.323SS*.Hα-helixtrans-123.9-29.8-172.159.30000114G11 L12G11-T14 PolarHBondContact O-N 2.97Å; G11-T14 PolarHBondContact O-OG1 3.06Å; G11-T14 VanDerWaalsContact O-OG1 3.05Å; L12-T14 PolarHBondContact O-N 3.27Å
15T90.7Very high93Very high110 Ų11058.3 Ų58.368%0.67531%0.312SS*.Hα-helixtrans-105.7-24.3-171.862.90000113.6G11 K17G11-T15 PolarHBondContact O-N 2.89Å; G11-T15 PolarHBondContact O-OG1 3.08Å; T15-K17 PolarHBondContact O-N 2.98Å
16W93.7Very high93.4Very high43 Ų4353.1 Ų53.116%0.16329%0.289CS..  trans-82.2117.1-176-176.650.5000111.5L12 K18 P19 D61 K64 M65 T68L12-W16 HydrophobicContact CD1-CB 3.9Å; L12-W16 HydrophobicContact CD1-CD2 4.12Å; L12-W16 HydrophobicContact CD1-CE3 3.92Å; L12-W16 HydrophobicContact CD1-CG 4.14Å; W16-K18 HydrophobicContact CE3-CG 3.76Å; W16-K18 HydrophobicContact CZ3-CG 3.77Å; W16-K18 PolarHBondContact O-N 3.28Å; W16-P19 HydrophobicContact CZ2-CG 4.48Å; W16-D61 HydrophobicContact CZ2-CB 4.37Å; W16-K64 HydrophobicContact CD2-CD 3.93Å; W16-K64 HydrophobicContact CD2-CG 3.98Å; W16-K64 HydrophobicContact CE3-CG 4.06Å; W16-K64 HydrophobicContact CG-CD 4.27Å; W16-K64 HydrophobicContact CH2-CB 3.8Å; W16-K64 HydrophobicContact CH2-CD 4.49Å; W16-K64 HydrophobicContact CH2-CG 3.9Å; W16-K64 HydrophobicContact CZ2-CB 3.81Å; W16-K64 HydrophobicContact CZ2-CD 3.89Å; W16-K64 HydrophobicContact CZ2-CG 3.8Å; W16-K64 HydrophobicContact CZ3-CB 4.33Å; W16-K64 HydrophobicContact CZ3-CG 4.03Å; W16-M65 HydrophobicContact CH2-CB 3.93Å; W16-M65 HydrophobicContact CH2-CE 4.45Å; W16-M65 HydrophobicContact CH2-SD 4.38Å; W16-M65 HydrophobicContact CZ3-CB 4.22Å; W16-M65 HydrophobicContact CZ3-CE 4.44Å; W16-M65 HydrophobicContact CZ3-SD 4Å; W16-T68 VanDerWaalsContact CZ3-OG1 3.29Å; W16-T68 WeakPolarHBondContact CZ3-OG1 3.31Å
17K94Very high93.8Very high192 Ų19251.7 Ų51.784%0.83528%0.277SS*.  trans-74.492172.4-173.1-177.6177.8-1750109.7T15T15-K17 PolarHBondContact O-N 2.98Å
18K95.2Very high94.1Very high62 Ų6252.6 Ų52.627%0.2728%0.282SS..  trans-50.3130.6174.6-69.1177.6-178.4-174.70111.3W16 E20 T23 M65 E72W16-K18 HydrophobicContact CE3-CG 3.76Å; W16-K18 HydrophobicContact CZ3-CG 3.77Å; W16-K18 PolarHBondContact O-N 3.28Å; K18-E20 PolarHBondContact O-N 3.07Å; K18-T23 HydrophobicContact CB-CG2 3.62Å; K18-T23 HydrophobicContact CD-CG2 4.23Å; K18-M65 HydrophobicContact CB-CE 3.75Å; K18-M65 HydrophobicContact CD-CE 3.92Å; K18-M65 HydrophobicContact CD-SD 3.93Å; K18-M65 HydrophobicContact CG-CE 3.83Å; K18-M65 HydrophobicContact CG-SD 4.12Å; K18-E72 IonicContact NZ-OE1 2.77Å; K18-E72 PolarHBondContact NZ-OE1 3.3Å
19P96.1Very high94.5Very high27 Ų2751.2 Ų51.218%0.17527%0.267CS..  trans-59.9132.1172.5-26.736.1000111.7W16 V21 L22 T23 D61W16-P19 HydrophobicContact CZ2-CG 4.48Å; P19-V21 HydrophobicContact CB-CG1 4.37Å; P19-V21 PolarHBondContact O-N 3.21Å; P19-L22 HydrophobicContact CB-CD1 4.24Å; P19-L22 HydrophobicContact CB-CG 4.46Å; P19-L22 HydrophobicContact CG-CD1 4.07Å; P19-L22 PolarHBondContact O-N 3.3Å; P19-T23 PolarHBondContact O-N 3.38Å; P19-T23 VanDerWaalsContact O-N 3.12Å; P19-D61 HydrophobicContact CG-CB 3.87Å
20E97Very high94.9Very high105 Ų10552.5 Ų52.549%0.49127%0.274SS..Hα-helixtrans-55.7-41.2-176.2-177.3179.2174.400112.1K18 L22 T23 K24 Y212K18-E20 PolarHBondContact O-N 3.07Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3Å; E20-T23 WeakPolarHBondContact CA-OG1 3.47Å; E20-T23 PolarHBondContact O-N 3.44Å; E20-T23 VanDerWaalsContact O-N 3.14Å; E20-T23 PolarHBondContact O-OG1 3.08Å; E20-K24 HydrophobicContact CG-CD 4Å; E20-K24 HydrophobicContact CG-CG 4.5Å; E20-K24 PolarHBondContact O-N 2.87Å; E20-K24 VanDerWaalsContact OE1-CE 3.24Å; E20-K24 WeakPolarHBondContact OE1-CE 3.4Å; E20-K24 IonicContact OE1-NZ 3.98Å; E20-K24 PolarHBondContact OE1-NZ 3.1Å; E20-Y212 HydrophobicContact CB-CE1 4.46Å; E20-Y212 HydrophobicContact CG-CE1 4.23Å
21V97.7Very high95.4Very high6 Ų646.4 Ų46.44%0.03624%0.241CC..Hα-helixtrans-58.8-41.1178.270.80000111.9P19 K24 Y25 L53 C57 V208 Y212P19-V21 HydrophobicContact CB-CG1 4.37Å; P19-V21 PolarHBondContact O-N 3.21Å; V21-K24 PolarHBondContact O-N 3.3Å; V21-Y25 HydrophobicContact CG2-CD2 3.84Å; V21-Y25 HydrophobicContact CG2-CE2 4.48Å; V21-Y25 WeakPolarHBondContact O-CB 3.35Å; V21-Y25 VanDerWaalsContact O-CD2 3.26Å; V21-Y25 WeakPolarHBondContact O-CD2 3.29Å; V21-Y25 PolarHBondContact O-N 2.84Å; V21-L53 HydrophobicContact CG2-CD2 3.89Å; V21-C57 HydrophobicContact CG1-CB 3.81Å; V21-V208 HydrophobicContact CG2-CG1 3.58Å; V21-V208 HydrophobicContact CG2-CG2 4.28Å; V21-Y212 HydrophobicContact CB-CD1 3.81Å; V21-Y212 HydrophobicContact CB-CE1 4.27Å; V21-Y212 HydrophobicContact CB-CG 4.05Å; V21-Y212 HydrophobicContact CG2-CD1 4.17Å; V21-Y212 HydrophobicContact CG2-CD2 4.24Å; V21-Y212 HydrophobicContact CG2-CG 3.89Å
22L97.5Very high95.8Very high1 Ų146 Ų461%0.00524%0.237CC..Hα-helixtrans-70.6-38.8177.3-68.9170.5000111.1P19 E20 K24 Y26 L53 D61 M65P19-L22 HydrophobicContact CB-CD1 4.24Å; P19-L22 HydrophobicContact CB-CG 4.46Å; P19-L22 HydrophobicContact CG-CD1 4.07Å; P19-L22 PolarHBondContact O-N 3.3Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3Å; L22-K24 PolarHBondContact O-N 3.18Å; L22-Y26 HydrophobicContact CD2-CG 4.48Å; L22-Y26 VanDerWaalsContact O-CB 3.29Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.26Å; L22-L53 HydrophobicContact CD2-CD1 4.1Å; L22-L53 HydrophobicContact CD2-CD2 3.94Å; L22-D61 HydrophobicContact CD1-CB 3.75Å; L22-D61 WeakPolarHBondContact CD1-O 3.38Å; L22-M65 HydrophobicContact CB-CE 3.42Å; L22-M65 VanDerWaalsContact CB-CE 3.42Å; L22-M65 HydrophobicContact CB-CG 4.33Å; L22-M65 HydrophobicContact CD1-CB 4.06Å; L22-M65 HydrophobicContact CD1-CE 4.42Å
23T96.6Very high96.1Very high52 Ų5248.3 Ų48.332%0.31925%0.251SS..Hα-helixtrans-63.8-27.1177.664.60000113.7K18 P19 E20 M65K18-T23 HydrophobicContact CB-CG2 3.62Å; K18-T23 HydrophobicContact CD-CG2 4.23Å; P19-T23 PolarHBondContact O-N 3.38Å; P19-T23 VanDerWaalsContact O-N 3.12Å; E20-T23 WeakPolarHBondContact CA-OG1 3.47Å; E20-T23 PolarHBondContact O-N 3.44Å; E20-T23 VanDerWaalsContact O-N 3.14Å; E20-T23 PolarHBondContact O-OG1 3.08Å; T23-M65 HydrophobicContact CG2-CE 4.02Å
24K96.7Very high96.3Very high64 Ų6444.9 Ų44.928%0.27823%0.234SC..Hα-helixtrans-98.3-32.6-176.4-73.7-177.2173.9178.60113.9E20 V21 L22 G204 Q205 Y212E20-K24 HydrophobicContact CG-CD 4Å; E20-K24 HydrophobicContact CG-CG 4.5Å; E20-K24 PolarHBondContact O-N 2.87Å; E20-K24 VanDerWaalsContact OE1-CE 3.24Å; E20-K24 WeakPolarHBondContact OE1-CE 3.4Å; E20-K24 IonicContact OE1-NZ 3.98Å; E20-K24 PolarHBondContact OE1-NZ 3.1Å; V21-K24 PolarHBondContact O-N 3.3Å; L22-K24 PolarHBondContact O-N 3.18Å; K24-G204 WeakPolarHBondContact O-CA 3.41Å; K24-Q205 PolarHBondContact O-N 3.38Å; K24-Y212 WeakPolarHBondContact CD-OH 3.33Å; K24-Y212 PolarHBondContact NZ-OH 3.18Å
25Y97.6Very high96.5Very high17 Ų1745.4 Ų45.47%0.06722%0.222CC..Hα-helixtrans-116.9-16.1-168.2-61.2-88.9000113.8V21 Q205 G206 V208 P209 Y212V21-Y25 HydrophobicContact CG2-CD2 3.84Å; V21-Y25 HydrophobicContact CG2-CE2 4.48Å; V21-Y25 WeakPolarHBondContact O-CB 3.35Å; V21-Y25 VanDerWaalsContact O-CD2 3.26Å; V21-Y25 WeakPolarHBondContact O-CD2 3.29Å; V21-Y25 PolarHBondContact O-N 2.84Å; Y25-Q205 HydrophobicContact CD1-CB 3.91Å; Y25-Q205 HydrophobicContact CE1-CB 3.5Å; Y25-G206 WeakPolarHBondContact CD1-O 3.17Å; Y25-V208 HydrophobicContact CD1-CG2 4.14Å; Y25-V208 HydrophobicContact CG-CG2 3.97Å; Y25-P209 HydrophobicContact CE1-CG 4.37Å; Y25-P209 WeakPolarHBondContact OH-CD 3.21Å; Y25-P209 VanDerWaalsContact OH-CG 3.23Å; Y25-P209 WeakPolarHBondContact OH-CG 3.38Å; Y25-Y212 HydrophobicContact CD2-CE2 4.48Å; Y25-Y212 HydrophobicContact CE2-CD2 4.14Å; Y25-Y212 AromaticContact CE2-CE2 3.48Å; Y25-Y212 HydrophobicContact CE2-CE2 3.48Å; Y25-Y212 VanDerWaalsContact CE2-CE2 3.48Å; Y25-Y212 AromaticContact CE2-CZ 3.92Å; Y25-Y212 AromaticContact CZ-CE2 3.96Å
26Y97.5Very high96.6Very high10 Ų1046 Ų464%0.03922%0.217CC..SBendtrans-93.9102.1176-174.3-139.5000111.3L22 H28 T48 L53 F62 M65 S66 H69L22-Y26 HydrophobicContact CD2-CG 4.48Å; L22-Y26 VanDerWaalsContact O-CB 3.29Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.26Å; Y26-H28 PolarHBondContact O-N 3.45Å; Y26-H28 PolarHBondContact O-ND1 3.24Å; Y26-T48 HydrophobicContact CD2-CG2 4.21Å; Y26-L53 HydrophobicContact CD2-CD1 4.45Å; Y26-F62 HydrophobicContact CD2-CE2 4.44Å; Y26-F62 HydrophobicContact CE1-CD2 4.41Å; Y26-F62 HydrophobicContact CE1-CE2 4.21Å; Y26-F62 HydrophobicContact CE2-CD2 4.48Å; Y26-F62 AromaticContact CE2-CE2 3.78Å; Y26-F62 HydrophobicContact CE2-CE2 3.78Å; Y26-F62 AromaticContact CZ-CE2 3.64Å; Y26-M65 HydrophobicContact CD1-CB 4.4Å; Y26-M65 HydrophobicContact CD1-CG 3.78Å; Y26-M65 HydrophobicContact CE1-CG 4.19Å; Y26-S66 PolarHBondContact OH-OG 2.94Å; Y26-H69 AromaticContact CD1-CE1 3.78Å; Y26-H69 AromaticContact CE1-CE1 3.79Å
27G97.3Very high96.7Very high1 Ų144.8 Ų44.81%0.0122%0.218CC..  trans-73.4126.6-169.400000114.1L44 V202G27-L44 PolarHBondContact O-N 2.97Å; G27-V202 CarbonylContact C-O 3.57Å; G27-V202 WeakPolarHBondContact CA-O 3.36Å
28H97.8Very high96.8Very high26 Ų2635.7 Ų35.712%0.1218%0.178CC..EExtended strand (participates in β ladder)trans-157.9169.7-17968.9-75000111.6Y26 F42 H69 I201 V202Y26-H28 PolarHBondContact O-N 3.45Å; Y26-H28 PolarHBondContact O-ND1 3.24Å; H28-F42 CarbonylContact C-O 3.55Å; H28-F42 WeakPolarHBondContact CA-O 3.39Å; H28-H69 AromaticContact CD2-CD2 3.38Å; H28-H69 PolarHBondContact CD2-CD2 3.44Å; H28-H69 AromaticContact CD2-CE1 3.68Å; H28-H69 AromaticContact CD2-CG 3.93Å; H28-H69 AromaticContact CD2-NE2 3.25Å; H28-H69 PolarHBondContact CD2-NE2 3.49Å; H28-H69 AromaticContact CE1-CE1 3.9Å; H28-H69 AromaticContact CE1-NE2 3.39Å; H28-H69 PolarHBondContact CE1-NE2 3.26Å; H28-H69 AromaticContact CG-CD2 3.81Å; H28-H69 AromaticContact CG-CE1 3.27Å; H28-H69 AromaticContact CG-ND1 3.77Å; H28-H69 AromaticContact CG-NE2 3.32Å; H28-H69 VanDerWaalsContact CG-NE2 3.32Å; H28-H69 AromaticContact ND1-CE1 3.44Å; H28-H69 PolarHBondContact ND1-CE1 2.94Å; H28-H69 AromaticContact ND1-NE2 3.4Å; H28-H69 PolarHBondContact ND1-NE2 3.34Å; H28-H69 AromaticContact NE2-CD2 3.71Å; H28-H69 AromaticContact NE2-NE2 3.33Å; H28-H69 PolarHBondContact NE2-NE2 3.48Å; H28-I201 CarbonylContact O-C 3.56Å; H28-I201 WeakPolarHBondContact O-CA 3.2Å; H28-V202 PolarHBondContact N-O 3.37Å; H28-V202 PolarHBondContact O-N 2.69Å
29G97.8Very high96.9Very high3 Ų332.9 Ų32.93%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-178.3172.4170.600000114.6F42 K200G29-F42 PolarHBondContact N-O 3.35Å; G29-F42 PolarHBondContact O-N 3.39Å; G29-K200 WeakPolarHBondContact CA-O 3.45Å
30L98.2Very high97.1Very high30 Ų3031.6 Ų31.616%0.15716%0.158CC..  trans-127.169.1175.4-66.6160000108.8G32 I40 L41 E72 A73 K76 K200L30-G32 PolarHBondContact O-N 3.01Å; L30-I40 WeakPolarHBondContact CA-O 3.04Å; L30-I40 WeakPolarHBondContact CD2-O 3.34Å; L30-L41 HydrophobicContact CD2-CB 4.32Å; L30-L41 HydrophobicContact CD2-CD1 4.16Å; L30-E72 HydrophobicContact CD1-CB 3.98Å; L30-A73 HydrophobicContact CD2-CB 3.85Å; L30-K76 HydrophobicContact CB-CD 4.16Å; L30-K76 HydrophobicContact CD1-CD 3.86Å; L30-K76 HydrophobicContact CD2-CD 4.34Å; L30-K76 HydrophobicContact CG-CD 4.34Å; L30-K200 PolarHBondContact N-O 2.88Å
31P97.6Very high97.1Very high0 Ų027.1 Ų27.10%014%0.137CC..  trans-65.9-34.7-165.922.4-32.4000114.5F42 W180 P181 M188 K200 I201P31-F42 HydrophobicContact CG-CB 4.33Å; P31-W180 HydrophobicContact CG-CE3 3.98Å; P31-W180 HydrophobicContact CG-CH2 4.39Å; P31-W180 HydrophobicContact CG-CZ3 3.52Å; P31-P181 HydrophobicContact CB-CG 4.14Å; P31-M188 WeakPolarHBondContact O-CE 3.47Å; P31-K200 WeakPolarHBondContact O-CD 3.26Å; P31-K200 PolarHBondContact O-NZ 2.88Å; P31-I201 HydrophobicContact CB-CD1 4.05Å; P31-I201 HydrophobicContact CB-CG1 4.35Å; P31-I201 HydrophobicContact CG-CD1 4.45Å
32G97.3Very high97.2Very high13 Ų1326.8 Ų26.813%0.13414%0.136CC..  trans-172.3-157.6-173.700000112.2L30 I40L30-G32 PolarHBondContact O-N 3.01Å; G32-I40 PolarHBondContact O-N 3.36Å
33T97.6Very high97.2Very high50 Ų5027.7 Ų27.731%0.30714%0.141SC..BIsolated β-bridgetrans-120.6157.9175.661.70000110.9S38 I40 Q179T33-S38 CarbonylContact C-O 3.48Å; T33-S38 WeakPolarHBondContact CA-O 3.44Å; T33-S38 VanDerWaalsContact CB-O 3.29Å; T33-S38 WeakPolarHBondContact CB-O 3.5Å; T33-I40 VanDerWaalsContact C-CD1 3.49Å; T33-Q179 WeakPolarHBondContact O-CB 3.48Å; T33-Q179 WeakPolarHBondContact O-CG 3.31Å
34D96.8Very high97.3Very high8 Ų825.2 Ų25.24%0.04313%0.126CC..  trans-77-179.2169.396-39.1000111.4E36 G37 S38 I40 L92 K130 H174 I175D34-E36 PolarHBondContact O-N 3.28Å; D34-E36 PolarHBondContact OD1-N 3.49Å; D34-G37 PolarHBondContact O-N 2.89Å; D34-G37 VanDerWaalsContact O-N 3.1Å; D34-G37 PolarHBondContact OD1-N 2.59Å; D34-S38 PolarHBondContact N-O 3.45Å; D34-S38 VanDerWaalsContact OD1-CB 3.29Å; D34-S38 WeakPolarHBondContact OD1-CB 3.37Å; D34-S38 PolarHBondContact OD1-N 2.76Å; D34-I40 HydrophobicContact CB-CG1 4.47Å; D34-L92 HydrophobicContact CB-CD2 3.86Å; D34-K130 IonicContact OD1-NZ 2.59Å; D34-K130 PolarHBondContact OD1-NZ 3.26Å; D34-K130 WeakPolarHBondContact OD2-CE 3.2Å; D34-K130 IonicContact OD2-NZ 3.09Å; D34-K130 PolarHBondContact OD2-NZ 2.88Å; D34-H174 WeakPolarHBondContact CB-O 3.28Å; D34-I175 HydrophobicContact CB-CG1 4.29Å
35R96Very high97.3Very high134 Ų13422.9 Ų22.951%0.50612%0.117SC..THydrogen-bonded Turntrans-62.7-20.4-177.5-71.6178.4-175.3-67.9-2.3114.2F172 H174 I175 D176R35-F172 PolarHBondContact NE-O 2.96Å; R35-F172 PolarHBondContact NH2-O 2.92Å; R35-H174 WeakPolarHBondContact CB-O 3.45Å; R35-H174 VanDerWaalsContact CG-O 3.27Å; R35-H174 WeakPolarHBondContact CG-O 3.2Å; R35-H174 PolarHBondContact N-O 3.39Å; R35-I175 PolarHBondContact NH2-O 2.88Å; R35-D176 IonicContact CZ-OD2 3.56Å; R35-D176 IonicContact NH1-OD2 3.5Å; R35-D176 PolarHBondContact NH1-OD2 2.76Å; R35-D176 VanDerWaalsContact NH1-OD2 3.09Å
36E93.3Very high97.2Very high122 Ų12222.2 Ų22.257%0.5711%0.114SC*.THydrogen-bonded Turntrans-95.8-2.3179.3-60.4179.7155.100113D34 K86 K130D34-E36 PolarHBondContact O-N 3.28Å; D34-E36 PolarHBondContact OD1-N 3.49Å; E36-K86 PolarHBondContact O-NZ 2.8Å; E36-K130 IonicContact OE2-NZ 2.58Å; E36-K130 PolarHBondContact OE2-NZ 2.95Å
37G94.3Very high97.1Very high18 Ų1824.2 Ų24.219%0.18613%0.126CC..SBendtrans89.16.7-177.800000114.4D34 A80D34-G37 PolarHBondContact O-N 2.89Å; D34-G37 VanDerWaalsContact O-N 3.1Å; D34-G37 PolarHBondContact OD1-N 2.59Å; G37-A80 WeakPolarHBondContact O-CB 3.17Å
38S96.9Very high97Very high0 Ų024.4 Ų24.40%013%0.127CC..PPolyproline II helixtrans-70137.3174.2-61.50000110.4T33 D34 E89 K90 K130T33-S38 CarbonylContact C-O 3.48Å; T33-S38 WeakPolarHBondContact CA-O 3.44Å; T33-S38 VanDerWaalsContact CB-O 3.29Å; T33-S38 WeakPolarHBondContact CB-O 3.5Å; D34-S38 PolarHBondContact N-O 3.45Å; D34-S38 VanDerWaalsContact OD1-CB 3.29Å; D34-S38 WeakPolarHBondContact OD1-CB 3.37Å; D34-S38 PolarHBondContact OD1-N 2.76Å; S38-E89 VanDerWaalsContact OG-CD 3.22Å; S38-E89 PolarHBondContact OG-OE1 3.33Å; S38-K90 WeakPolarHBondContact CB-O 3.48Å; S38-K90 PolarHBondContact OG-O 2.86Å; S38-K130 VanDerWaalsContact CB-NZ 3.34Å; S38-K130 VanDerWaalsContact OG-CE 3.27Å; S38-K130 WeakPolarHBondContact OG-CE 3.36Å; S38-K130 PolarHBondContact OG-NZ 3.35Å
39P98.2Very high97Very high4 Ų425.4 Ų25.43%0.02613%0.133CC..BIsolated β-bridgetrans-63.8146.817429.9-37.2000111.2A73 K76 A77 V91 L92P39-A73 WeakPolarHBondContact CG-O 3.12Å; P39-K76 HydrophobicContact CB-CB 3.85Å; P39-K76 HydrophobicContact CB-CD 4.47Å; P39-K76 HydrophobicContact CG-CB 4.09Å; P39-A77 HydrophobicContact CG-CB 3.78Å; P39-V91 HydrophobicContact CG-CG2 4.14Å; P39-L92 PolarHBondContact O-N 3.33Å
40I98.6Very high96.9Very high0 Ų025.4 Ų25.40%013%0.132CC..EExtended strand (participates in β ladder)trans-99117.3174.1-55.9162.3000108.6L30 G32 T33 D34 L92 I94 I175 W180L30-I40 WeakPolarHBondContact CA-O 3.04Å; L30-I40 WeakPolarHBondContact CD2-O 3.34Å; G32-I40 PolarHBondContact O-N 3.36Å; T33-I40 VanDerWaalsContact C-CD1 3.49Å; D34-I40 HydrophobicContact CB-CG1 4.47Å; I40-L92 CarbonylContact C-O 3.55Å; I40-L92 WeakPolarHBondContact CA-O 3.16Å; I40-L92 HydrophobicContact CG1-CB 4.48Å; I40-L92 HydrophobicContact CG1-CD2 4.3Å; I40-I94 HydrophobicContact CG2-CG1 3.59Å; I40-I175 HydrophobicContact CD1-CD1 3.68Å; I40-I175 HydrophobicContact CD1-CG1 3.85Å; I40-I175 HydrophobicContact CD1-CG2 3.8Å; I40-I175 HydrophobicContact CG1-CD1 4.27Å; I40-W180 HydrophobicContact CD1-CE3 4.12Å; I40-W180 HydrophobicContact CD1-CZ3 4.33Å; I40-W180 HydrophobicContact CG2-CH2 4.41Å; I40-W180 HydrophobicContact CG2-CZ3 3.67Å
41L98.7Very high96.9Very high10 Ų1028.3 Ų28.35%0.05215%0.145CC..EExtended strand (participates in β ladder)trans-88.9123.3165.5175.957.4000108.6L30 H69 I70 A73 V91 L92 L93 I94 F129L30-L41 HydrophobicContact CD2-CB 4.32Å; L30-L41 HydrophobicContact CD2-CD1 4.16Å; L41-H69 HydrophobicContact CD1-CB 3.93Å; L41-I70 HydrophobicContact CD2-CG1 4.21Å; L41-A73 HydrophobicContact CB-CB 4.04Å; L41-A73 HydrophobicContact CD2-CB 4.31Å; L41-V91 HydrophobicContact CB-CG1 3.78Å; L41-L92 PolarHBondContact N-O 2.96Å; L41-L93 HydrophobicContact CB-CD1 4.19Å; L41-L93 HydrophobicContact CD2-CD1 4.03Å; L41-L93 HydrophobicContact CG-CD1 3.84Å; L41-L93 CarbonylContact O-C 3.47Å; L41-L93 WeakPolarHBondContact O-CA 3.45Å; L41-L93 WeakPolarHBondContact O-CD1 3.45Å; L41-I94 PolarHBondContact O-N 3.1Å; L41-F129 HydrophobicContact CD2-CE1 4.27Å; L41-F129 HydrophobicContact CD2-CZ 4.27Å
42F98.6Very high96.9Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-113.7131.5179.7-172.9-147.1000110.6H28 G29 P31 L44 I94 D96 I135 W180 W184 I201H28-F42 CarbonylContact C-O 3.55Å; H28-F42 WeakPolarHBondContact CA-O 3.39Å; G29-F42 PolarHBondContact N-O 3.35Å; G29-F42 PolarHBondContact O-N 3.39Å; P31-F42 HydrophobicContact CG-CB 4.33Å; F42-L44 HydrophobicContact CD1-CD1 3.9Å; F42-L44 HydrophobicContact CE1-CD1 3.82Å; F42-L44 HydrophobicContact CE1-CD2 4.43Å; F42-L44 HydrophobicContact CE1-CG 4.01Å; F42-L44 HydrophobicContact CG-CD1 4.47Å; F42-L44 HydrophobicContact CZ-CD1 4.34Å; F42-L44 HydrophobicContact CZ-CG 4.11Å; F42-I94 WeakPolarHBondContact CA-O 3.41Å; F42-I94 HydrophobicContact CD2-CB 3.79Å; F42-I94 HydrophobicContact CD2-CG2 3.82Å; F42-I94 WeakPolarHBondContact CD2-O 3.42Å; F42-I94 HydrophobicContact CE2-CB 4.35Å; F42-I94 HydrophobicContact CE2-CG2 3.85Å; F42-D96 HydrophobicContact CE2-CB 3.69Å; F42-D96 HydrophobicContact CZ-CB 3.84Å; F42-I135 HydrophobicContact CE2-CD1 4.07Å; F42-I135 HydrophobicContact CZ-CD1 4.34Å; F42-W180 HydrophobicContact CB-CH2 4.3Å; F42-W180 HydrophobicContact CD1-CH2 4.13Å; F42-W180 AromaticContact CD2-CH2 3.74Å; F42-W180 HydrophobicContact CD2-CH2 3.74Å; F42-W180 HydrophobicContact CD2-CZ2 4.34Å; F42-W180 HydrophobicContact CE1-CH2 4.37Å; F42-W180 HydrophobicContact CE1-CZ2 4.49Å; F42-W180 AromaticContact CE2-CH2 4Å; F42-W180 HydrophobicContact CE2-CH2 4Å; F42-W180 HydrophobicContact CE2-CZ2 4.13Å; F42-W180 AromaticContact CG-CH2 3.81Å; F42-W180 HydrophobicContact CG-CH2 3.81Å; F42-W180 HydrophobicContact CZ-CH2 4.32Å; F42-W180 HydrophobicContact CZ-CZ2 4.22Å; F42-W184 AromaticContact CE1-CD2 3.95Å; F42-W184 HydrophobicContact CE1-CD2 3.95Å; F42-W184 AromaticContact CE1-CE2 3.67Å; F42-W184 HydrophobicContact CE1-CE3 4.04Å; F42-W184 AromaticContact CE1-CH2 3.74Å; F42-W184 HydrophobicContact CE1-CH2 3.74Å; F42-W184 AromaticContact CE1-CZ2 3.57Å; F42-W184 HydrophobicContact CE1-CZ2 3.57Å; F42-W184 AromaticContact CE1-CZ3 3.96Å; F42-W184 HydrophobicContact CE1-CZ3 3.96Å; F42-W184 AromaticContact CZ-CD2 3.99Å; F42-W184 HydrophobicContact CZ-CD2 3.99Å; F42-W184 AromaticContact CZ-CE2 3.57Å; F42-W184 HydrophobicContact CZ-CG 4.41Å; F42-W184 HydrophobicContact CZ-CH2 4.45Å; F42-W184 AromaticContact CZ-CZ2 3.84Å; F42-W184 HydrophobicContact CZ-CZ2 3.84Å; F42-W184 AromaticContact CZ-NE1 3.65Å; F42-I201 HydrophobicContact CD1-CD1 3.92Å; F42-I201 HydrophobicContact CD1-CG1 4.32Å; F42-I201 HydrophobicContact CD1-CG2 4.35Å; F42-I201 HydrophobicContact CE1-CD1 4.23Å
43T97.9Very high96.9Very high20 Ų2028 Ų2812%0.12314%0.142CC..EExtended strand (participates in β ladder)trans-125.5132.2174.7176.20000110.6L45 L93 I94 I95 D96T43-L45 PolarHBondContact O-N 2.85Å; T43-L93 HydrophobicContact CG2-CD1 4.07Å; T43-I94 WeakPolarHBondContact CG2-O 3.47Å; T43-I94 PolarHBondContact N-O 2.85Å; T43-I95 HydrophobicContact CG2-CB 3.94Å; T43-I95 HydrophobicContact CG2-CD1 4.48Å; T43-I95 HydrophobicContact CG2-CG1 3.61Å; T43-I95 HydrophobicContact CG2-CG2 3.95Å; T43-D96 PolarHBondContact O-N 3.39Å
44L97.7Very high96.9Very high0 Ų026 Ų260%013%0.129CC..  trans-100.458-178.8-64.687.1000110.2G27 F42 G46 N47 T48 W184 I201 I203G27-L44 PolarHBondContact O-N 2.97Å; F42-L44 HydrophobicContact CD1-CD1 3.9Å; F42-L44 HydrophobicContact CE1-CD1 3.82Å; F42-L44 HydrophobicContact CE1-CD2 4.43Å; F42-L44 HydrophobicContact CE1-CG 4.01Å; F42-L44 HydrophobicContact CG-CD1 4.47Å; F42-L44 HydrophobicContact CZ-CD1 4.34Å; F42-L44 HydrophobicContact CZ-CG 4.11Å; L44-G46 PolarHBondContact O-N 2.9Å; L44-N47 PolarHBondContact O-N 3.23Å; L44-T48 PolarHBondContact O-OG1 3.12Å; L44-W184 HydrophobicContact CD2-CH2 4.16Å; L44-W184 HydrophobicContact CD2-CZ2 3.67Å; L44-W184 HydrophobicContact CG-CZ2 4.48Å; L44-I201 HydrophobicContact CD1-CG2 3.77Å; L44-I203 HydrophobicContact CD2-CB 4.43Å; L44-I203 HydrophobicContact CD2-CG2 4.03Å
45L96.7Very high96.9Very high15 Ų1527.1 Ų27.18%0.07914%0.137CC..G310 helixtrans-60.9-42.2-170.2178.859.5000112.6T43 N47 T48 I95 D96 L97 H104 F110 Y114T43-L45 PolarHBondContact O-N 2.85Å; L45-N47 PolarHBondContact O-N 3.29Å; L45-T48 WeakPolarHBondContact O-CB 3.29Å; L45-T48 PolarHBondContact O-N 2.92Å; L45-T48 PolarHBondContact O-OG1 3.45Å; L45-T48 VanDerWaalsContact O-OG1 3.12Å; L45-I95 HydrophobicContact CB-CG2 4.05Å; L45-I95 HydrophobicContact CD2-CG2 4.38Å; L45-D96 PolarHBondContact N-O 3.25Å; L45-L97 HydrophobicContact CB-CD2 3.98Å; L45-L97 HydrophobicContact CD2-CD2 3.89Å; L45-L97 HydrophobicContact CG-CD2 4.07Å; L45-H104 PolarHBondContact O-NE2 3.44Å; L45-F110 HydrophobicContact CD1-CE2 4.1Å; L45-F110 HydrophobicContact CD1-CZ 3.76Å; L45-Y114 HydrophobicContact CD2-CE2 3.91Å
46G95.9Very high97Very high2 Ų221.7 Ų21.72%0.02112%0.119CC..G310 helixtrans-65.9-20.8-177.500000114.8L44 T48 D96 D98 N99 M100 H104L44-G46 PolarHBondContact O-N 2.9Å; G46-T48 VanDerWaalsContact C-N 3.32Å; G46-D96 PolarHBondContact N-O 2.93Å; G46-D98 CarbonylContact C-O 3.47Å; G46-D98 WeakPolarHBondContact CA-O 3.48Å; G46-N99 CarbonylContact O-C 3.56Å; G46-M100 PolarHBondContact O-N 3.11Å; G46-H104 PolarHBondContact O-NE2 3.41Å
47N95Very high97.1Very high53 Ų5316.2 Ų16.228%0.2839%0.094SC..G310 helixtrans-87.90174.9-72.4-22.9000113.3L44 L45 D49 D98 N99L44-N47 PolarHBondContact O-N 3.23Å; L45-N47 PolarHBondContact O-N 3.29Å; N47-D49 PolarHBondContact O-N 3.35Å; N47-D98 PolarHBondContact N-O 3.38Å; N47-D98 PolarHBondContact OD1-O 3.4Å; N47-N99 WeakPolarHBondContact OD1-CB 3.5Å; N47-N99 PolarHBondContact OD1-ND2 3.4Å
48T96.1Very high97.3Very high5 Ų516.8 Ų16.83%0.0319%0.092CC..  trans-76.3121.7-176.6-60.50000109.9Y26 L44 L45 G46 V50 L53 H104Y26-T48 HydrophobicContact CD2-CG2 4.21Å; L44-T48 PolarHBondContact O-OG1 3.12Å; L45-T48 WeakPolarHBondContact O-CB 3.29Å; L45-T48 PolarHBondContact O-N 2.92Å; L45-T48 PolarHBondContact O-OG1 3.45Å; L45-T48 VanDerWaalsContact O-OG1 3.12Å; G46-T48 VanDerWaalsContact C-N 3.32Å; T48-V50 HydrophobicContact CG2-CG1 4.01Å; T48-V50 PolarHBondContact O-N 3.25Å; T48-L53 HydrophobicContact CG2-CD1 3.39Å; T48-L53 HydrophobicContact CG2-CG 4.4Å; T48-H104 PolarHBondContact O-NE2 2.91Å
49D97.4Very high97.2Very high46 Ų4617 Ų1725%0.2469%0.093CC..  trans-72.683.1166.9178.410000109.5N47 E51 G52 L53 P207 V208N47-D49 PolarHBondContact O-N 3.35Å; D49-E51 VanDerWaalsContact C-N 3.28Å; D49-E51 PolarHBondContact O-N 3.43Å; D49-G52 PolarHBondContact O-N 2.58Å; D49-G52 PolarHBondContact OD1-N 3.18Å; D49-G52 WeakPolarHBondContact OD2-CA 3.42Å; D49-L53 WeakPolarHBondContact O-CB 3.14Å; D49-L53 WeakPolarHBondContact O-CG 3.27Å; D49-L53 PolarHBondContact O-N 2.71Å; D49-P207 WeakPolarHBondContact OD2-CA 3.5Å; D49-V208 HydrophobicContact CB-CG2 4.24Å; D49-V208 PolarHBondContact OD2-N 2.94Å
50V97Very high97.1Very high3 Ų317.7 Ų17.72%0.01810%0.096CC..Hα-helixtrans-62.9-33.6-174.2-63.60000112.6T48 F54 F107 F110T48-V50 HydrophobicContact CG2-CG1 4.01Å; T48-V50 PolarHBondContact O-N 3.25Å; V50-F54 WeakPolarHBondContact O-CB 3.45Å; V50-F54 VanDerWaalsContact O-CD2 3.24Å; V50-F54 WeakPolarHBondContact O-CD2 3.41Å; V50-F54 PolarHBondContact O-N 2.81Å; V50-F107 HydrophobicContact CG2-CB 4.5Å; V50-F107 HydrophobicContact CG2-CD1 4.23Å; V50-F110 HydrophobicContact CB-CB 3.95Å; V50-F110 HydrophobicContact CB-CD2 4.02Å; V50-F110 HydrophobicContact CB-CG 3.89Å; V50-F110 HydrophobicContact CG1-CB 4.33Å; V50-F110 HydrophobicContact CG1-CD1 4.09Å; V50-F110 HydrophobicContact CG1-CD2 3.55Å; V50-F110 HydrophobicContact CG1-CE1 4.38Å; V50-F110 HydrophobicContact CG1-CE2 3.87Å; V50-F110 HydrophobicContact CG1-CG 3.69Å; V50-F110 HydrophobicContact CG1-CZ 4.3Å
51E97.3Very high97Very high91 Ų9118.8 Ų18.843%0.42510%0.102SC..Hα-helixtrans-75.1-44.2178.3-67.7178.3-148.500110.7D49 T55 S103 F107D49-E51 VanDerWaalsContact C-N 3.28Å; D49-E51 PolarHBondContact O-N 3.43Å; E51-T55 WeakPolarHBondContact O-CG2 3.39Å; E51-T55 PolarHBondContact O-N 2.84Å; E51-T55 VanDerWaalsContact O-N 3.15Å; E51-T55 PolarHBondContact O-OG1 3.18Å; E51-S103 WeakPolarHBondContact OE1-CB 3.31Å; E51-S103 PolarHBondContact OE1-OG 3.03Å; E51-F107 HydrophobicContact CB-CE1 4.39Å; E51-F107 HydrophobicContact CB-CZ 4.4Å; E51-F107 HydrophobicContact CG-CD1 3.95Å; E51-F107 HydrophobicContact CG-CD2 3.92Å; E51-F107 HydrophobicContact CG-CE1 4.03Å; E51-F107 HydrophobicContact CG-CE2 4.02Å; E51-F107 HydrophobicContact CG-CG 3.89Å; E51-F107 HydrophobicContact CG-CZ 4.06Å
52G97.5Very high97Very high7 Ų718.3 Ų18.37%0.07210%0.099CC..Hα-helixtrans-61.2-44175.400000112.9D49 T55 S56D49-G52 PolarHBondContact O-N 2.58Å; D49-G52 PolarHBondContact OD1-N 3.18Å; D49-G52 WeakPolarHBondContact OD2-CA 3.42Å; G52-T55 PolarHBondContact O-OG1 3Å; G52-T55 VanDerWaalsContact O-OG1 3.08Å; G52-S56 WeakPolarHBondContact O-CB 3.02Å; G52-S56 PolarHBondContact O-N 3.49Å; G52-S56 PolarHBondContact O-OG 3.05Å
53L97.6Very high96.9Very high1 Ų118.3 Ų18.31%0.00510%0.099CC..Hα-helixtrans-64-50.4178.5-79.6-174.9000112.3V21 L22 Y26 T48 D49 T55 S56 C57 V208V21-L53 HydrophobicContact CG2-CD2 3.89Å; L22-L53 HydrophobicContact CD2-CD1 4.1Å; L22-L53 HydrophobicContact CD2-CD2 3.94Å; Y26-L53 HydrophobicContact CD2-CD1 4.45Å; T48-L53 HydrophobicContact CG2-CD1 3.39Å; T48-L53 HydrophobicContact CG2-CG 4.4Å; D49-L53 WeakPolarHBondContact O-CB 3.14Å; D49-L53 WeakPolarHBondContact O-CG 3.27Å; D49-L53 PolarHBondContact O-N 2.71Å; L53-T55 PolarHBondContact O-N 2.88Å; L53-S56 CarbonylContact O-C 3.51Å; L53-S56 WeakPolarHBondContact O-CA 3.24Å; L53-S56 PolarHBondContact O-N 3.42Å; L53-C57 PolarHBondContact O-N 2.99Å; L53-C57 PolarHBondContact O-SG 3.37Å; L53-V208 HydrophobicContact CD2-CG2 3.99Å; L53-V208 HydrophobicContact CG-CG2 4.17Å
54F96.8Very high96.8Very high7 Ų719.3 Ų19.33%0.03110%0.102CC..Hα-helixtrans-76.4-7.8-174.8-82.5-98.1000114.2V50 F62 F107 P109 F110 S113 L289V50-F54 WeakPolarHBondContact O-CB 3.45Å; V50-F54 VanDerWaalsContact O-CD2 3.24Å; V50-F54 WeakPolarHBondContact O-CD2 3.41Å; V50-F54 PolarHBondContact O-N 2.81Å; F54-F62 HydrophobicContact CE2-CB 4.33Å; F54-F62 HydrophobicContact CE2-CD1 4.35Å; F54-F62 HydrophobicContact CE2-CD2 4.18Å; F54-F62 HydrophobicContact CE2-CG 4.02Å; F54-F62 HydrophobicContact CZ-CB 3.91Å; F54-F62 AromaticContact CZ-CD1 3.71Å; F54-F62 HydrophobicContact CZ-CD1 3.71Å; F54-F62 HydrophobicContact CZ-CD2 4.31Å; F54-F62 HydrophobicContact CZ-CE1 4.33Å; F54-F62 AromaticContact CZ-CG 3.7Å; F54-F62 HydrophobicContact CZ-CG 3.7Å; F54-F107 HydrophobicContact CB-CE1 3.84Å; F54-F107 HydrophobicContact CB-CZ 4.47Å; F54-F107 HydrophobicContact CG-CE1 4.43Å; F54-P109 HydrophobicContact CB-CB 4.22Å; F54-P109 HydrophobicContact CD1-CB 3.88Å; F54-P109 WeakPolarHBondContact CE1-O 3.37Å; F54-P109 HydrophobicContact CG-CB 4.25Å; F54-F110 HydrophobicContact CD2-CB 4.27Å; F54-F110 HydrophobicContact CD2-CD2 4.44Å; F54-F110 HydrophobicContact CE2-CB 4.12Å; F54-F110 AromaticContact CE2-CD2 3.68Å; F54-F110 HydrophobicContact CE2-CD2 3.68Å; F54-F110 HydrophobicContact CE2-CG 4.41Å; F54-F110 HydrophobicContact CZ-CB 4.49Å; F54-F110 HydrophobicContact CZ-CD2 4.21Å; F54-S113 WeakPolarHBondContact CE1-OG 3.49Å; F54-L289 HydrophobicContact CB-CD1 4.49Å; F54-L289 WeakPolarHBondContact O-CB 3.29Å
55T97Very high96.7Very high32 Ų3219.3 Ų19.320%0.19610%0.102CC..THydrogen-bonded Turntrans-93.1-5.9165.354.70000112.8E51 G52 L53 K213 Y214 L289E51-T55 WeakPolarHBondContact O-CG2 3.39Å; E51-T55 PolarHBondContact O-N 2.84Å; E51-T55 VanDerWaalsContact O-N 3.15Å; E51-T55 PolarHBondContact O-OG1 3.18Å; G52-T55 PolarHBondContact O-OG1 3Å; G52-T55 VanDerWaalsContact O-OG1 3.08Å; L53-T55 PolarHBondContact O-N 2.88Å; T55-K213 WeakPolarHBondContact O-CA 3.38Å; T55-Y214 PolarHBondContact O-N 2.86Å; T55-L289 HydrophobicContact CG2-CD1 3.98Å
56S97.6Very high96.8Very high19 Ų1919 Ų1913%0.13310%0.101CC..THydrogen-bonded Turntrans-120.3-19.2-172.2-59.60000114.6G52 L53 V208 Y212G52-S56 WeakPolarHBondContact O-CB 3.02Å; G52-S56 PolarHBondContact O-N 3.49Å; G52-S56 PolarHBondContact O-OG 3.05Å; L53-S56 CarbonylContact O-C 3.51Å; L53-S56 WeakPolarHBondContact O-CA 3.24Å; L53-S56 PolarHBondContact O-N 3.42Å; S56-V208 WeakPolarHBondContact OG-CG1 3.45Å; S56-Y212 VanDerWaalsContact CA-O 3.27Å; S56-Y212 WeakPolarHBondContact CA-O 3.34Å; S56-Y212 VanDerWaalsContact CB-O 3.26Å; S56-Y212 WeakPolarHBondContact CB-O 3.21Å; S56-Y212 PolarHBondContact OG-O 3.03Å
57C97Very high96.8Very high7 Ų718.9 Ų18.95%0.04710%0.1CC..SBendtrans-139.5164.8175.267.70000111.6V21 L53 V290V21-C57 HydrophobicContact CG1-CB 3.81Å; L53-C57 PolarHBondContact O-N 2.99Å; L53-C57 PolarHBondContact O-SG 3.37Å; C57-V290 WeakPolarHBondContact O-CG2 3.28Å
58Q97Very high96.8Very high30 Ų3016.4 Ų16.414%0.149%0.087CC..  trans-68.6145.5177.2-48.4-174.63200109.9Q60 D61 F62 V290 P291 I292Q58-Q60 HydrophobicContact CB-CG 3.92Å; Q58-Q60 PolarHBondContact O-N 3.27Å; Q58-D61 HydrophobicContact CB-CB 4.37Å; Q58-D61 WeakPolarHBondContact O-CB 3.08Å; Q58-D61 PolarHBondContact O-N 2.64Å; Q58-F62 PolarHBondContact O-N 3.35Å; Q58-V290 HydrophobicContact CG-CG1 3.99Å; Q58-P291 WeakPolarHBondContact CG-O 3.4Å; Q58-P291 PolarHBondContact OE1-O 2.87Å; Q58-I292 HydrophobicContact CB-CD1 4.18Å
59S96.2Very high96.9Very high4 Ų416.4 Ų16.43%0.0289%0.087CC..Hα-helixtrans-61.2-35.217665.40000112.1D61 F62 V63 S113 E286 I292S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.46Å; S59-F62 WeakPolarHBondContact O-CB 3.46Å; S59-F62 PolarHBondContact O-N 3.02Å; S59-V63 PolarHBondContact O-N 2.82Å; S59-S113 WeakPolarHBondContact CB-OG 3.2Å; S59-E286 VanDerWaalsContact CB-O 3.27Å; S59-E286 WeakPolarHBondContact CB-O 3.35Å; S59-E286 PolarHBondContact OG-O 2.85Å; S59-I292 WeakPolarHBondContact OG-CD1 3.13Å
60Q95.9Very high96.9Very high20 Ų2014.9 Ų14.99%0.0938%0.078CC..Hα-helixtrans-63.2-31.2174.769.5169.3-28.900112.7Q58 V63 K64 F285 I292 E293Q58-Q60 HydrophobicContact CB-CG 3.92Å; Q58-Q60 PolarHBondContact O-N 3.27Å; Q60-V63 PolarHBondContact O-N 2.72Å; Q60-K64 VanDerWaalsContact O-CB 3.23Å; Q60-K64 WeakPolarHBondContact O-CB 3.28Å; Q60-K64 PolarHBondContact O-N 2.68Å; Q60-F285 HydrophobicContact CB-CD1 3.89Å; Q60-F285 HydrophobicContact CB-CE1 3.44Å; Q60-F285 VanDerWaalsContact CB-CE1 3.44Å; Q60-F285 HydrophobicContact CB-CE2 4.33Å; Q60-F285 HydrophobicContact CB-CG 4.47Å; Q60-F285 HydrophobicContact CB-CZ 3.63Å; Q60-I292 HydrophobicContact CB-CD1 4.3Å; Q60-I292 HydrophobicContact CG-CD1 4.11Å; Q60-I292 HydrophobicContact CG-CG2 4.34Å; Q60-E293 PolarHBondContact NE2-O 2.89Å
61D96.7Very high96.9Very high22 Ų2215.8 Ų15.812%0.1188%0.082CC..Hα-helixtrans-71.1-36.8178.9-73.3-34.3000111.1W16 P19 L22 Q58 S59 K64 M65W16-D61 HydrophobicContact CZ2-CB 4.37Å; P19-D61 HydrophobicContact CG-CB 3.87Å; L22-D61 HydrophobicContact CD1-CB 3.75Å; L22-D61 WeakPolarHBondContact CD1-O 3.38Å; Q58-D61 HydrophobicContact CB-CB 4.37Å; Q58-D61 WeakPolarHBondContact O-CB 3.08Å; Q58-D61 PolarHBondContact O-N 2.64Å; S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.46Å; D61-K64 PolarHBondContact O-N 3.26Å; D61-M65 VanDerWaalsContact O-CB 3.25Å; D61-M65 WeakPolarHBondContact O-CB 3.33Å; D61-M65 PolarHBondContact O-N 2.78Å
62F97.2Very high96.8Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-58.6-51.4171165.6-97.1000110.5Y26 F54 Q58 S59 K64 M65 S66 F110 Y114 L117Y26-F62 HydrophobicContact CD2-CE2 4.44Å; Y26-F62 HydrophobicContact CE1-CD2 4.41Å; Y26-F62 HydrophobicContact CE1-CE2 4.21Å; Y26-F62 HydrophobicContact CE2-CD2 4.48Å; Y26-F62 AromaticContact CE2-CE2 3.78Å; Y26-F62 HydrophobicContact CE2-CE2 3.78Å; Y26-F62 AromaticContact CZ-CE2 3.64Å; F54-F62 HydrophobicContact CE2-CB 4.33Å; F54-F62 HydrophobicContact CE2-CD1 4.35Å; F54-F62 HydrophobicContact CE2-CD2 4.18Å; F54-F62 HydrophobicContact CE2-CG 4.02Å; F54-F62 HydrophobicContact CZ-CB 3.91Å; F54-F62 AromaticContact CZ-CD1 3.71Å; F54-F62 HydrophobicContact CZ-CD1 3.71Å; F54-F62 HydrophobicContact CZ-CD2 4.31Å; F54-F62 HydrophobicContact CZ-CE1 4.33Å; F54-F62 AromaticContact CZ-CG 3.7Å; F54-F62 HydrophobicContact CZ-CG 3.7Å; Q58-F62 PolarHBondContact O-N 3.35Å; S59-F62 WeakPolarHBondContact O-CB 3.46Å; S59-F62 PolarHBondContact O-N 3.02Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 2.69Å; F62-M65 PolarHBondContact O-N 2.92Å; F62-S66 PolarHBondContact O-N 3.35Å; F62-S66 PolarHBondContact O-OG 2.82Å; F62-F110 HydrophobicContact CE1-CE2 4.47Å; F62-F110 HydrophobicContact CE2-CE2 4.22Å; F62-F110 HydrophobicContact CZ-CD2 4.43Å; F62-F110 AromaticContact CZ-CE2 3.81Å; F62-F110 HydrophobicContact CZ-CE2 3.81Å; F62-Y114 HydrophobicContact CZ-CD2 4.33Å; F62-L117 HydrophobicContact CE1-CD2 4.26Å; F62-L117 HydrophobicContact CZ-CD2 4.48Å
63V96.5Very high96.8Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-58.7-47.2177.7177.30000110.3W7 S59 Q60 M65 S66 L67 T116 L117 L120W7-V63 HydrophobicContact CH2-CB 3.95Å; W7-V63 HydrophobicContact CH2-CG1 3.54Å; W7-V63 HydrophobicContact CZ3-CB 4.23Å; W7-V63 HydrophobicContact CZ3-CG1 3.85Å; S59-V63 PolarHBondContact O-N 2.82Å; Q60-V63 PolarHBondContact O-N 2.72Å; V63-M65 VanDerWaalsContact C-N 3.31Å; V63-M65 PolarHBondContact O-N 3.4Å; V63-S66 PolarHBondContact O-N 2.73Å; V63-L67 HydrophobicContact CG1-CD1 4.16Å; V63-L67 HydrophobicContact CG1-CG 4.48Å; V63-L67 VanDerWaalsContact O-CG 3.3Å; V63-L67 WeakPolarHBondContact O-CG 3.35Å; V63-L67 PolarHBondContact O-N 3.22Å; V63-T116 HydrophobicContact CG2-CG2 4.48Å; V63-L117 HydrophobicContact CG1-CB 4.41Å; V63-L117 HydrophobicContact CG1-CD1 4.25Å; V63-L117 HydrophobicContact CG2-CB 4.37Å; V63-L120 HydrophobicContact CG1-CD1 3.7Å
64K96.3Very high96.8Very high41 Ų4115.3 Ų15.318%0.1788%0.079CC..Hα-helixtrans-64.1-36.5-178.8-165.7161.5-178.4173.50112.1W7 L12 W16 Q60 D61 F62 L67 T68W7-K64 HydrophobicContact CE3-CB 4.07Å; W7-K64 HydrophobicContact CE3-CD 4.17Å; W7-K64 HydrophobicContact CE3-CG 4.02Å; W7-K64 HydrophobicContact CZ3-CB 3.67Å; W7-K64 HydrophobicContact CZ3-CD 4.46Å; W7-K64 HydrophobicContact CZ3-CG 4.16Å; W7-K64 WeakPolarHBondContact O-CE 3.42Å; W7-K64 PolarHBondContact O-NZ 3.05Å; L12-K64 HydrophobicContact CD1-CD 4.27Å; L12-K64 HydrophobicContact CD1-CG 3.86Å; W16-K64 HydrophobicContact CD2-CD 3.93Å; W16-K64 HydrophobicContact CD2-CG 3.98Å; W16-K64 HydrophobicContact CE3-CG 4.06Å; W16-K64 HydrophobicContact CG-CD 4.27Å; W16-K64 HydrophobicContact CH2-CB 3.8Å; W16-K64 HydrophobicContact CH2-CD 4.49Å; W16-K64 HydrophobicContact CH2-CG 3.9Å; W16-K64 HydrophobicContact CZ2-CB 3.81Å; W16-K64 HydrophobicContact CZ2-CD 3.89Å; W16-K64 HydrophobicContact CZ2-CG 3.8Å; W16-K64 HydrophobicContact CZ3-CB 4.33Å; W16-K64 HydrophobicContact CZ3-CG 4.03Å; Q60-K64 VanDerWaalsContact O-CB 3.23Å; Q60-K64 WeakPolarHBondContact O-CB 3.28Å; Q60-K64 PolarHBondContact O-N 2.68Å; D61-K64 PolarHBondContact O-N 3.26Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 2.69Å; K64-L67 PolarHBondContact O-N 3.14Å; K64-T68 WeakPolarHBondContact O-CB 3.43Å; K64-T68 PolarHBondContact O-N 3.05Å; K64-T68 PolarHBondContact O-OG1 3.41Å
65M97.1Very high96.8Very high1 Ų116.8 Ų16.81%0.0059%0.093CC..Hα-helixtrans-65.3-46.6174.1-172.964.691.400111.4W16 K18 L22 T23 Y26 D61 F62 V63 L67 T68 H69W16-M65 HydrophobicContact CH2-CB 3.93Å; W16-M65 HydrophobicContact CH2-CE 4.45Å; W16-M65 HydrophobicContact CH2-SD 4.38Å; W16-M65 HydrophobicContact CZ3-CB 4.22Å; W16-M65 HydrophobicContact CZ3-CE 4.44Å; W16-M65 HydrophobicContact CZ3-SD 4Å; K18-M65 HydrophobicContact CB-CE 3.75Å; K18-M65 HydrophobicContact CD-CE 3.92Å; K18-M65 HydrophobicContact CD-SD 3.93Å; K18-M65 HydrophobicContact CG-CE 3.83Å; K18-M65 HydrophobicContact CG-SD 4.12Å; L22-M65 HydrophobicContact CB-CE 3.42Å; L22-M65 VanDerWaalsContact CB-CE 3.42Å; L22-M65 HydrophobicContact CB-CG 4.33Å; L22-M65 HydrophobicContact CD1-CB 4.06Å; L22-M65 HydrophobicContact CD1-CE 4.42Å; T23-M65 HydrophobicContact CG2-CE 4.02Å; Y26-M65 HydrophobicContact CD1-CB 4.4Å; Y26-M65 HydrophobicContact CD1-CG 3.78Å; Y26-M65 HydrophobicContact CE1-CG 4.19Å; D61-M65 VanDerWaalsContact O-CB 3.25Å; D61-M65 WeakPolarHBondContact O-CB 3.33Å; D61-M65 PolarHBondContact O-N 2.78Å; F62-M65 PolarHBondContact O-N 2.92Å; V63-M65 VanDerWaalsContact C-N 3.31Å; V63-M65 PolarHBondContact O-N 3.4Å; M65-L67 VanDerWaalsContact C-N 3.3Å; M65-L67 PolarHBondContact O-N 3.25Å; M65-T68 WeakPolarHBondContact O-CA 3.29Å; M65-T68 VanDerWaalsContact O-CB 3.3Å; M65-T68 WeakPolarHBondContact O-CB 3.08Å; M65-T68 PolarHBondContact O-N 3.38Å; M65-H69 PolarHBondContact O-N 2.77Å
66S97.2Very high96.8Very high8 Ų819.5 Ų19.56%0.05610%0.102CC..Hα-helixtrans-59.9-41.7176.3-56.50000111.9Y26 F62 V63 T68 H69 I70 L117Y26-S66 PolarHBondContact OH-OG 2.94Å; F62-S66 PolarHBondContact O-N 3.35Å; F62-S66 PolarHBondContact O-OG 2.82Å; V63-S66 PolarHBondContact O-N 2.73Å; S66-T68 VanDerWaalsContact C-N 3.32Å; S66-T68 PolarHBondContact O-N 3.12Å; S66-H69 PolarHBondContact O-N 3.03Å; S66-I70 WeakPolarHBondContact O-CG1 3.45Å; S66-I70 PolarHBondContact O-N 2.97Å; S66-L117 VanDerWaalsContact CB-CD2 3.49Å; S66-L117 WeakPolarHBondContact OG-CD2 2.97Å
67L96Very high96.8Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-64.6-36.1173.8-64.6175.5000112.3F3 W7 V63 K64 M65 H69 I70 E71 L117 Y125F3-L67 HydrophobicContact CE1-CD1 4.43Å; F3-L67 HydrophobicContact CE2-CD1 4.42Å; F3-L67 HydrophobicContact CZ-CD1 3.59Å; W7-L67 HydrophobicContact CE3-CD1 3.83Å; W7-L67 HydrophobicContact CZ3-CD1 3.88Å; V63-L67 HydrophobicContact CG1-CD1 4.16Å; V63-L67 HydrophobicContact CG1-CG 4.48Å; V63-L67 VanDerWaalsContact O-CG 3.3Å; V63-L67 WeakPolarHBondContact O-CG 3.35Å; V63-L67 PolarHBondContact O-N 3.22Å; K64-L67 PolarHBondContact O-N 3.14Å; M65-L67 VanDerWaalsContact C-N 3.3Å; M65-L67 PolarHBondContact O-N 3.25Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 3.4Å; L67-I70 HydrophobicContact CD2-CD1 4.33Å; L67-I70 WeakPolarHBondContact O-CB 3.39Å; L67-I70 PolarHBondContact O-N 3.4Å; L67-I70 VanDerWaalsContact O-N 3.17Å; L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-L117 HydrophobicContact CD2-CD1 4.05Å; L67-L117 HydrophobicContact CG-CD1 4.28Å; L67-Y125 HydrophobicContact CD2-CD2 4.4Å; L67-Y125 HydrophobicContact CD2-CE2 3.55Å
68T96.3Very high96.8Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-61-44.1175.1-56.80000111.1L12 L13 W16 K64 M65 S66 I70 E71 E72L12-T68 HydrophobicContact CD2-CG2 4.42Å; L12-T68 VanDerWaalsContact CD2-OG1 3.29Å; L12-T68 WeakPolarHBondContact CD2-OG1 3.33Å; L12-T68 HydrophobicContact CG-CG2 4.29Å; L12-T68 WeakPolarHBondContact CG-OG1 3.36Å; L13-T68 HydrophobicContact CD2-CG2 3.82Å; W16-T68 VanDerWaalsContact CZ3-OG1 3.29Å; W16-T68 WeakPolarHBondContact CZ3-OG1 3.31Å; K64-T68 WeakPolarHBondContact O-CB 3.43Å; K64-T68 PolarHBondContact O-N 3.05Å; K64-T68 PolarHBondContact O-OG1 3.41Å; M65-T68 WeakPolarHBondContact O-CA 3.29Å; M65-T68 VanDerWaalsContact O-CB 3.3Å; M65-T68 WeakPolarHBondContact O-CB 3.08Å; M65-T68 PolarHBondContact O-N 3.38Å; S66-T68 VanDerWaalsContact C-N 3.32Å; S66-T68 PolarHBondContact O-N 3.12Å; T68-I70 VanDerWaalsContact C-N 3.27Å; T68-I70 PolarHBondContact O-N 3.39Å; T68-E71 PolarHBondContact O-N 3.23Å; T68-E72 HydrophobicContact CG2-CG 4.45Å; T68-E72 WeakPolarHBondContact O-CG 3.4Å; T68-E72 PolarHBondContact O-N 2.7Å
69H97.1Very high96.7Very high6 Ų628.2 Ų28.23%0.02814%0.14CC..Hα-helixtrans-63.5-33.6176.1-55.8153.4000112.5Y26 H28 L41 M65 S66 L67 E72 A73Y26-H69 AromaticContact CD1-CE1 3.78Å; Y26-H69 AromaticContact CE1-CE1 3.79Å; H28-H69 AromaticContact CD2-CD2 3.38Å; H28-H69 PolarHBondContact CD2-CD2 3.44Å; H28-H69 AromaticContact CD2-CE1 3.68Å; H28-H69 AromaticContact CD2-CG 3.93Å; H28-H69 AromaticContact CD2-NE2 3.25Å; H28-H69 PolarHBondContact CD2-NE2 3.49Å; H28-H69 AromaticContact CE1-CE1 3.9Å; H28-H69 AromaticContact CE1-NE2 3.39Å; H28-H69 PolarHBondContact CE1-NE2 3.26Å; H28-H69 AromaticContact CG-CD2 3.81Å; H28-H69 AromaticContact CG-CE1 3.27Å; H28-H69 AromaticContact CG-ND1 3.77Å; H28-H69 AromaticContact CG-NE2 3.32Å; H28-H69 VanDerWaalsContact CG-NE2 3.32Å; H28-H69 AromaticContact ND1-CE1 3.44Å; H28-H69 PolarHBondContact ND1-CE1 2.94Å; H28-H69 AromaticContact ND1-NE2 3.4Å; H28-H69 PolarHBondContact ND1-NE2 3.34Å; H28-H69 AromaticContact NE2-CD2 3.71Å; H28-H69 AromaticContact NE2-NE2 3.33Å; H28-H69 PolarHBondContact NE2-NE2 3.48Å; L41-H69 HydrophobicContact CD1-CB 3.93Å; M65-H69 PolarHBondContact O-N 2.77Å; S66-H69 PolarHBondContact O-N 3.03Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 3.4Å; H69-E72 IonicContact CD2-OE2 3.35Å; H69-A73 WeakPolarHBondContact O-CB 3.16Å; H69-A73 PolarHBondContact O-N 3.38Å
70I97.1Very high96.7Very high13 Ų1328.8 Ų28.87%0.06715%0.145CC..Hα-helixtrans-66-47.3173.6-64.6172.1000110.4L41 S66 L67 T68 E72 A73 L74 F121 Y125 V128 F129L41-I70 HydrophobicContact CD2-CG1 4.21Å; S66-I70 WeakPolarHBondContact O-CG1 3.45Å; S66-I70 PolarHBondContact O-N 2.97Å; L67-I70 HydrophobicContact CD2-CD1 4.33Å; L67-I70 WeakPolarHBondContact O-CB 3.39Å; L67-I70 PolarHBondContact O-N 3.4Å; L67-I70 VanDerWaalsContact O-N 3.17Å; T68-I70 VanDerWaalsContact C-N 3.27Å; T68-I70 PolarHBondContact O-N 3.39Å; I70-E72 VanDerWaalsContact C-N 3.35Å; I70-E72 PolarHBondContact O-N 3.25Å; I70-A73 WeakPolarHBondContact O-CB 3.32Å; I70-A73 PolarHBondContact O-N 2.93Å; I70-L74 HydrophobicContact CG2-CD1 4.06Å; I70-L74 HydrophobicContact CG2-CG 4.42Å; I70-L74 WeakPolarHBondContact O-CB 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.49Å; I70-L74 PolarHBondContact O-N 2.84Å; I70-F121 HydrophobicContact CD1-CD2 4.14Å; I70-Y125 HydrophobicContact CG2-CD1 3.67Å; I70-Y125 HydrophobicContact CG2-CE1 3.77Å; I70-Y125 HydrophobicContact CG2-CG 4.31Å; I70-V128 HydrophobicContact CG2-CG1 4.37Å; I70-F129 HydrophobicContact CD1-CZ 4.43Å; I70-F129 HydrophobicContact CG1-CZ 4.15Å
71E96.6Very high96.8Very high22 Ų2228 Ų2810%0.10314%0.142CC..Hα-helixtrans-63.1-38.1177.7-70.4-72.7170.900112R4 L12 L13 L67 T68 A73 L74 A75 Y125R4-E71 IonicContact CZ-OE1 2.85Å; R4-E71 IonicContact NH1-OE1 2.72Å; R4-E71 PolarHBondContact NH1-OE1 3.38Å; R4-E71 IonicContact NH2-OE1 3.87Å; R4-E71 IonicContact NH2-OE2 2.75Å; L12-E71 HydrophobicContact CD2-CG 4.15Å; L13-E71 HydrophobicContact CD2-CB 3.9Å; L13-E71 HydrophobicContact CG-CB 4.46Å; L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 2.84Å; T68-E71 PolarHBondContact O-N 3.23Å; E71-A73 PolarHBondContact O-N 2.86Å; E71-L74 PolarHBondContact O-N 3Å; E71-A75 PolarHBondContact O-N 2.85Å; E71-Y125 WeakPolarHBondContact OE1-CE1 3.48Å; E71-Y125 PolarHBondContact OE1-OH 3.08Å
72E96.7Very high96.7Very high46 Ų4633.7 Ų33.722%0.21517%0.166CC..Hα-helixtrans-62.6-41.4173.1-71171176.700111.9L13 K18 L30 T68 H69 I70 K76L13-E72 HydrophobicContact CD1-CG 4.4Å; L13-E72 HydrophobicContact CD2-CG 3.57Å; K18-E72 IonicContact NZ-OE1 2.77Å; K18-E72 PolarHBondContact NZ-OE1 3.3Å; L30-E72 HydrophobicContact CD1-CB 3.98Å; T68-E72 HydrophobicContact CG2-CG 4.45Å; T68-E72 WeakPolarHBondContact O-CG 3.4Å; T68-E72 PolarHBondContact O-N 2.7Å; H69-E72 IonicContact CD2-OE2 3.35Å; I70-E72 VanDerWaalsContact C-N 3.35Å; I70-E72 PolarHBondContact O-N 3.25Å; E72-K76 PolarHBondContact O-N 3.47Å
73A97.9Very high96.5Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-67.5-38.3175.800000112L30 P39 L41 H69 I70 E71 K76 A77 V91L30-A73 HydrophobicContact CD2-CB 3.85Å; P39-A73 WeakPolarHBondContact CG-O 3.12Å; L41-A73 HydrophobicContact CB-CB 4.04Å; L41-A73 HydrophobicContact CD2-CB 4.31Å; H69-A73 WeakPolarHBondContact O-CB 3.16Å; H69-A73 PolarHBondContact O-N 3.38Å; I70-A73 WeakPolarHBondContact O-CB 3.32Å; I70-A73 PolarHBondContact O-N 2.93Å; E71-A73 PolarHBondContact O-N 2.86Å; A73-K76 PolarHBondContact O-N 3.24Å; A73-A77 PolarHBondContact O-N 3.01Å; A73-V91 HydrophobicContact CB-CG1 3.79Å; A73-V91 HydrophobicContact CB-CG2 3.93Å
74L96.7Very high96.3Very high44 Ų4446.1 Ų46.123%0.2322%0.223CC..Hα-helixtrans-65-41.5176.1-78.5174.4000112.4I70 E71 K76 A77 E78 V91 Y125 V128I70-L74 HydrophobicContact CG2-CD1 4.06Å; I70-L74 HydrophobicContact CG2-CG 4.42Å; I70-L74 WeakPolarHBondContact O-CB 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.49Å; I70-L74 PolarHBondContact O-N 2.84Å; E71-L74 PolarHBondContact O-N 3Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 3.33Å; L74-A77 WeakPolarHBondContact O-CB 3.26Å; L74-A77 PolarHBondContact O-N 2.89Å; L74-A77 VanDerWaalsContact O-N 3.12Å; L74-E78 PolarHBondContact O-N 3.05Å; L74-V91 HydrophobicContact CD2-CG2 4.43Å; L74-Y125 HydrophobicContact CD1-CD1 3.95Å; L74-Y125 HydrophobicContact CD1-CE1 4.07Å; L74-V128 HydrophobicContact CD1-CG1 4.37Å; L74-V128 HydrophobicContact CD1-CG2 4.28Å; L74-V128 HydrophobicContact CD2-CB 4.31Å; L74-V128 HydrophobicContact CD2-CG1 3.56Å; L74-V128 HydrophobicContact CD2-CG2 3.94Å; L74-V128 HydrophobicContact CG-CG1 4.04Å
75A96.3Very high96.2Very high37 Ų3747.5 Ų47.531%0.30625%0.249SC..Hα-helixtrans-59.1-44.3174.300000111.3L13 E71 A77 E78 E79L13-A75 HydrophobicContact CD1-CB 4.37Å; E71-A75 PolarHBondContact O-N 2.85Å; A75-A77 VanDerWaalsContact C-N 3.33Å; A75-A77 PolarHBondContact O-N 2.88Å; A75-E78 PolarHBondContact O-N 3.08Å; A75-E79 WeakPolarHBondContact O-CG 3.42Å; A75-E79 PolarHBondContact O-N 3.22Å
76K97.1Very high95.9Very high90 Ų9051.3 Ų51.339%0.39127%0.266SS..Hα-helixtrans-64.2-36.3173.8-73.7-172.6180-73.70112.9L30 P39 E72 A73 L74 E79 A80L30-K76 HydrophobicContact CB-CD 4.16Å; L30-K76 HydrophobicContact CD1-CD 3.86Å; L30-K76 HydrophobicContact CD2-CD 4.34Å; L30-K76 HydrophobicContact CG-CD 4.34Å; P39-K76 HydrophobicContact CB-CB 3.85Å; P39-K76 HydrophobicContact CB-CD 4.47Å; P39-K76 HydrophobicContact CG-CB 4.09Å; E72-K76 PolarHBondContact O-N 3.47Å; A73-K76 PolarHBondContact O-N 3.24Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 3.33Å; K76-E79 PolarHBondContact O-N 2.92Å; K76-A80 WeakPolarHBondContact O-CB 3.05Å; K76-A80 PolarHBondContact O-N 3.06Å
77A97.7Very high95.7Very high2 Ų256.9 Ų56.92%0.01730%0.302CS..Hα-helixtrans-65.9-40.4175.800000110.8P39 A73 L74 A75 E79 A80 A81 E89 V91P39-A77 HydrophobicContact CG-CB 3.78Å; A73-A77 PolarHBondContact O-N 3.01Å; L74-A77 WeakPolarHBondContact O-CB 3.26Å; L74-A77 PolarHBondContact O-N 2.89Å; L74-A77 VanDerWaalsContact O-N 3.12Å; A75-A77 VanDerWaalsContact C-N 3.33Å; A75-A77 PolarHBondContact O-N 2.88Å; A77-E79 PolarHBondContact O-N 3.48Å; A77-A80 PolarHBondContact O-N 3.2Å; A77-A81 WeakPolarHBondContact O-CB 3.41Å; A77-A81 PolarHBondContact O-N 3.25Å; A77-E89 HydrophobicContact CB-CB 4.16Å; A77-E89 WeakPolarHBondContact O-CB 3.44Å; A77-V91 HydrophobicContact CB-CG2 4.19Å
78E96.7Very high95.6Very high111 Ų11164.3 Ų64.352%0.51933%0.331SS..Hα-helixtrans-62.3-43.2174.7-167.5-172.7164.300111.8L74 A75 A81 K82L74-E78 PolarHBondContact O-N 3.05Å; A75-E78 PolarHBondContact O-N 3.08Å; E78-A81 PolarHBondContact O-N 2.88Å; E78-K82 HydrophobicContact CG-CD 4.47Å; E78-K82 WeakPolarHBondContact O-CG 3.34Å; E78-K82 PolarHBondContact O-N 3.47Å; E78-K82 WeakPolarHBondContact OE1-CE 2.98Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 3.03Å
79E96.4Very high95.6Very high125 Ų12565.4 Ų65.458%0.58434%0.336SS*.Hα-helixtrans-59-45.9173.3-70.4174.8-179.300111.8A75 K76 A77 K82 K83A75-E79 WeakPolarHBondContact O-CG 3.42Å; A75-E79 PolarHBondContact O-N 3.22Å; K76-E79 PolarHBondContact O-N 2.92Å; A77-E79 PolarHBondContact O-N 3.48Å; E79-K82 PolarHBondContact O-N 3.32Å; E79-K83 WeakPolarHBondContact O-CB 3.29Å; E79-K83 PolarHBondContact O-N 3.36Å
80A95.8Very high95.6Very high16 Ų1668.1 Ų68.113%0.13235%0.348CS..Hα-helixtrans-63.8-42.8177.700000112G37 K76 A77 K83 N84 E89G37-A80 WeakPolarHBondContact O-CB 3.17Å; K76-A80 WeakPolarHBondContact O-CB 3.05Å; K76-A80 PolarHBondContact O-N 3.06Å; A77-A80 PolarHBondContact O-N 3.2Å; A80-K83 PolarHBondContact O-N 3.49Å; A80-N84 VanDerWaalsContact O-CB 3.31Å; A80-N84 WeakPolarHBondContact O-CB 3.05Å; A80-N84 VanDerWaalsContact O-CG 3.27Å; A80-N84 PolarHBondContact O-N 3.2Å; A80-N84 PolarHBondContact O-ND2 2.95Å; A80-E89 HydrophobicContact CB-CG 4.22Å
81A96.6Very high95.7Very high4 Ų467.5 Ų67.53%0.03334%0.344CS..Hα-helixtrans-59.3-49.2176.900000110.9A77 E78 K83 N84 G85 K86 E89A77-A81 WeakPolarHBondContact O-CB 3.41Å; A77-A81 PolarHBondContact O-N 3.25Å; E78-A81 PolarHBondContact O-N 2.88Å; A81-K83 PolarHBondContact O-N 3.17Å; A81-N84 PolarHBondContact O-N 3.23Å; A81-G85 PolarHBondContact O-N 3.25Å; A81-K86 CarbonylContact C-O 3.52Å; A81-K86 HydrophobicContact CB-CB 4.49Å; A81-K86 PolarHBondContact O-N 3.17Å; A81-E89 HydrophobicContact CB-CB 3.9Å
82K96Very high95.7Very high142 Ų14266.4 Ų66.462%0.61734%0.34SS*.Hα-helixtrans-58.6-47.9176.5-73.8171.8-176.3165.40111.7E78 E79 N84 G85E78-K82 HydrophobicContact CG-CD 4.47Å; E78-K82 WeakPolarHBondContact O-CG 3.34Å; E78-K82 PolarHBondContact O-N 3.47Å; E78-K82 WeakPolarHBondContact OE1-CE 2.98Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 3.03Å; E79-K82 PolarHBondContact O-N 3.32Å; K82-N84 VanDerWaalsContact C-N 3.3Å; K82-N84 PolarHBondContact O-N 2.85Å; K82-G85 PolarHBondContact O-N 2.84Å
83K93.5Very high95.8Very high182 Ų18265.1 Ų65.179%0.79133%0.334SS*.Hα-helixtrans-61.1-38.6179.7-177.8-178.7175.2-174.80112.3E79 A80 A81E79-K83 WeakPolarHBondContact O-CB 3.29Å; E79-K83 PolarHBondContact O-N 3.36Å; A80-K83 PolarHBondContact O-N 3.49Å; A81-K83 PolarHBondContact O-N 3.17Å
84N91.3Very high95.8Very high78 Ų7865.1 Ų65.142%0.41733%0.334SS..Hα-helixtrans-93.22.5-175.1-63.4-25.4000113.4A80 A81 K82 K86A80-N84 VanDerWaalsContact O-CB 3.31Å; A80-N84 WeakPolarHBondContact O-CB 3.05Å; A80-N84 VanDerWaalsContact O-CG 3.27Å; A80-N84 PolarHBondContact O-N 3.2Å; A80-N84 PolarHBondContact O-ND2 2.95Å; A81-N84 PolarHBondContact O-N 3.23Å; K82-N84 VanDerWaalsContact C-N 3.3Å; K82-N84 PolarHBondContact O-N 2.85Å; N84-K86 HydrophobicContact CB-CG 4.25Å; N84-K86 PolarHBondContact O-N 2.56Å
85G93.4Very high95.9Very high70 Ų7063.8 Ų63.872%0.72233%0.327SS*.THydrogen-bonded Turntrans6526.9-177.600000113.8A81 K82A81-G85 PolarHBondContact O-N 3.25Å; K82-G85 PolarHBondContact O-N 2.84Å
86K92.5Very high95.9Very high82 Ų8262 Ų6236%0.35731%0.312SS..  trans-95.8148.3175.8-63.1-176.8-170.6171.20110.1E36 A81 N84 Y88 E89E36-K86 PolarHBondContact O-NZ 2.8Å; A81-K86 CarbonylContact C-O 3.52Å; A81-K86 HydrophobicContact CB-CB 4.49Å; A81-K86 PolarHBondContact O-N 3.17Å; N84-K86 HydrophobicContact CB-CG 4.25Å; N84-K86 PolarHBondContact O-N 2.56Å; K86-Y88 VanDerWaalsContact C-N 3.3Å; K86-Y88 PolarHBondContact O-N 3.08Å; K86-E89 WeakPolarHBondContact CD-OE2 3.14Å; K86-E89 IonicContact NZ-OE2 3.25Å; K86-E89 PolarHBondContact NZ-OE2 3.3Å
87P93.2Very high95.9Very high125 Ų12558.5 Ų58.581%0.81230%0.298SS*.SBendtrans-67-32.1176.826.1-34000112.9
88Y93.5Very high95.7Very high156 Ų15660.7 Ų60.761%0.61231%0.309SS*.  trans-154.5161.9175.768.3-87.1000109.3K86 K90K86-Y88 VanDerWaalsContact C-N 3.3Å; K86-Y88 PolarHBondContact O-N 3.08Å; Y88-K90 HydrophobicContact CD2-CG 4.4Å; Y88-K90 HydrophobicContact CE2-CG 4.16Å
89E95.8Very high95.5Very high23 Ų2360.2 Ų60.211%0.10731%0.31CS..  trans-131.9145.5173.1-170.652.9-90.500108.4S38 A77 A80 A81 K86S38-E89 VanDerWaalsContact OG-CD 3.22Å; S38-E89 PolarHBondContact OG-OE1 3.33Å; A77-E89 HydrophobicContact CB-CB 4.16Å; A77-E89 WeakPolarHBondContact O-CB 3.44Å; A80-E89 HydrophobicContact CB-CG 4.22Å; A81-E89 HydrophobicContact CB-CB 3.9Å; K86-E89 WeakPolarHBondContact CD-OE2 3.14Å; K86-E89 IonicContact NZ-OE2 3.25Å; K86-E89 PolarHBondContact NZ-OE2 3.3Å
90K96.7Very high95.5Very high62 Ų6255.3 Ų55.327%0.2729%0.288SS..  trans-94.6170.8178.2-69.6-169.6175.2-163.10110.8S38 Y88 G127 V128 K130S38-K90 WeakPolarHBondContact CB-O 3.48Å; S38-K90 PolarHBondContact OG-O 2.86Å; Y88-K90 HydrophobicContact CD2-CG 4.4Å; Y88-K90 HydrophobicContact CE2-CG 4.16Å; K90-G127 WeakPolarHBondContact CD-O 3.47Å; K90-G127 WeakPolarHBondContact CE-O 3.5Å; K90-G127 PolarHBondContact NZ-O 2.85Å; K90-V128 WeakPolarHBondContact CA-O 3.42Å; K90-V128 WeakPolarHBondContact CB-O 3.29Å; K90-K130 HydrophobicContact CB-CB 3.82Å; K90-K130 HydrophobicContact CB-CD 4.35Å; K90-K130 HydrophobicContact CB-CG 4.26Å; K90-K130 HydrophobicContact CD-CB 3.78Å; K90-K130 HydrophobicContact CG-CB 4.45Å
91V98.3Very high95.4Very high0 Ų057.8 Ų57.80%030%0.301CS..EExtended strand (participates in β ladder)trans-106.6140.6176-178.50000109.8P39 L41 A73 L74 A77 V128 F129 K130P39-V91 HydrophobicContact CG-CG2 4.14Å; L41-V91 HydrophobicContact CB-CG1 3.78Å; A73-V91 HydrophobicContact CB-CG1 3.79Å; A73-V91 HydrophobicContact CB-CG2 3.93Å; L74-V91 HydrophobicContact CD2-CG2 4.43Å; A77-V91 HydrophobicContact CB-CG2 4.19Å; V91-V128 HydrophobicContact CG2-CG1 4.27Å; V91-V128 PolarHBondContact N-O 2.92Å; V91-F129 HydrophobicContact CB-CD1 3.75Å; V91-F129 HydrophobicContact CB-CE1 3.93Å; V91-F129 HydrophobicContact CG1-CD1 3.94Å; V91-F129 HydrophobicContact CG1-CE1 3.76Å; V91-F129 VanDerWaalsContact O-CA 3.32Å; V91-F129 WeakPolarHBondContact O-CA 3.31Å; V91-K130 PolarHBondContact O-N 3.19Å
92L98.2Very high95.3Very high0 Ų061 Ų610%032%0.32CS..EExtended strand (participates in β ladder)trans-93.9119.7166.1176.858.8000108.7D34 P39 I40 L41 I94 K131 I133 H174 I175D34-L92 HydrophobicContact CB-CD2 3.86Å; P39-L92 PolarHBondContact O-N 3.33Å; I40-L92 CarbonylContact C-O 3.55Å; I40-L92 WeakPolarHBondContact CA-O 3.16Å; I40-L92 HydrophobicContact CG1-CB 4.48Å; I40-L92 HydrophobicContact CG1-CD2 4.3Å; L41-L92 PolarHBondContact N-O 2.96Å; L92-I94 HydrophobicContact CD1-CD1 4.18Å; L92-I94 HydrophobicContact CD2-CD1 4.1Å; L92-I94 HydrophobicContact CG-CD1 3.88Å; L92-I94 HydrophobicContact CG-CG1 4.46Å; L92-K131 HydrophobicContact CD1-CB 3.79Å; L92-I133 HydrophobicContact CD1-CD1 4.1Å; L92-I133 HydrophobicContact CD1-CG1 4.28Å; L92-H174 HydrophobicContact CD2-CB 4.06Å; L92-I175 HydrophobicContact CD2-CD1 3.63Å; L92-I175 HydrophobicContact CD2-CG1 3.6Å
93L98.3Very high95.3Very high18 Ų1855.3 Ų55.39%0.09430%0.298CS..EExtended strand (participates in β ladder)trans-96.9127176.2176.359.4000110.1L41 T43 I95 F129 K131 I132 I133L41-L93 HydrophobicContact CB-CD1 4.19Å; L41-L93 HydrophobicContact CD2-CD1 4.03Å; L41-L93 HydrophobicContact CG-CD1 3.84Å; L41-L93 CarbonylContact O-C 3.47Å; L41-L93 WeakPolarHBondContact O-CA 3.45Å; L41-L93 WeakPolarHBondContact O-CD1 3.45Å; T43-L93 HydrophobicContact CG2-CD1 4.07Å; L93-I95 HydrophobicContact CD1-CG1 4.35Å; L93-I95 HydrophobicContact CD2-CD1 4.13Å; L93-I95 HydrophobicContact CD2-CG1 4.21Å; L93-I95 HydrophobicContact CG-CD1 4.44Å; L93-I95 HydrophobicContact CG-CG1 3.99Å; L93-F129 HydrophobicContact CB-CD1 3.85Å; L93-F129 HydrophobicContact CB-CE1 3.85Å; L93-F129 HydrophobicContact CB-CG 4.28Å; L93-F129 HydrophobicContact CB-CZ 4.25Å; L93-F129 HydrophobicContact CD2-CD2 4.33Å; L93-F129 HydrophobicContact CD2-CE1 4.4Å; L93-F129 HydrophobicContact CD2-CE2 3.89Å; L93-F129 HydrophobicContact CD2-CZ 3.94Å; L93-K131 PolarHBondContact N-O 3.5Å; L93-I132 HydrophobicContact CB-CG1 4.18Å; L93-I132 HydrophobicContact CB-CG2 4.45Å; L93-I132 HydrophobicContact CD2-CD1 4.27Å; L93-I132 HydrophobicContact CD2-CG1 4.1Å; L93-I132 HydrophobicContact CD2-CG2 3.96Å; L93-I132 HydrophobicContact CG-CG2 4.15Å; L93-I132 CarbonylContact O-C 3.52Å; L93-I132 VanDerWaalsContact O-CA 3.29Å; L93-I132 WeakPolarHBondContact O-CA 3.02Å; L93-I133 PolarHBondContact O-N 2.96Å
94I98.1Very high95.5Very high0 Ų047.2 Ų47.20%026%0.263CS..EExtended strand (participates in β ladder)trans-113.4128.4171.6-49.5-61.6000108.4I40 L41 F42 T43 L92 I133 I135 L171 I175 W180I40-I94 HydrophobicContact CG2-CG1 3.59Å; L41-I94 PolarHBondContact O-N 3.1Å; F42-I94 WeakPolarHBondContact CA-O 3.41Å; F42-I94 HydrophobicContact CD2-CB 3.79Å; F42-I94 HydrophobicContact CD2-CG2 3.82Å; F42-I94 WeakPolarHBondContact CD2-O 3.42Å; F42-I94 HydrophobicContact CE2-CB 4.35Å; F42-I94 HydrophobicContact CE2-CG2 3.85Å; T43-I94 WeakPolarHBondContact CG2-O 3.47Å; T43-I94 PolarHBondContact N-O 2.85Å; L92-I94 HydrophobicContact CD1-CD1 4.18Å; L92-I94 HydrophobicContact CD2-CD1 4.1Å; L92-I94 HydrophobicContact CG-CD1 3.88Å; L92-I94 HydrophobicContact CG-CG1 4.46Å; I94-I133 CarbonylContact C-O 3.55Å; I94-I133 WeakPolarHBondContact CA-O 3.48Å; I94-I133 HydrophobicContact CD1-CB 3.7Å; I94-I133 HydrophobicContact CD1-CD1 3.95Å; I94-I133 HydrophobicContact CD1-CG1 4.08Å; I94-I135 HydrophobicContact CG2-CD1 3.99Å; I94-I135 HydrophobicContact CG2-CG1 4.24Å; I94-I135 HydrophobicContact CG2-CG2 3.97Å; I94-L171 HydrophobicContact CD1-CD1 4.26Å; I94-L171 HydrophobicContact CG2-CD1 4.12Å; I94-I175 HydrophobicContact CD1-CD1 4.03Å; I94-I175 HydrophobicContact CG1-CD1 4.29Å; I94-W180 HydrophobicContact CB-CH2 3.94Å; I94-W180 HydrophobicContact CG1-CH2 3.89Å; I94-W180 HydrophobicContact CG1-CZ3 4.21Å; I94-W180 HydrophobicContact CG2-CH2 3.84Å; I94-W180 HydrophobicContact CG2-CZ2 4.02Å
95I97.6Very high95.6Very high16 Ų1646 Ų468%0.08225%0.253CS..EExtended strand (participates in β ladder)trans-116.4114.2178.6-51.6-176.1000108.7T43 L45 L93 L97 I132 I133 V134 I135T43-I95 HydrophobicContact CG2-CB 3.94Å; T43-I95 HydrophobicContact CG2-CD1 4.48Å; T43-I95 HydrophobicContact CG2-CG1 3.61Å; T43-I95 HydrophobicContact CG2-CG2 3.95Å; L45-I95 HydrophobicContact CB-CG2 4.05Å; L45-I95 HydrophobicContact CD2-CG2 4.38Å; L93-I95 HydrophobicContact CD1-CG1 4.35Å; L93-I95 HydrophobicContact CD2-CD1 4.13Å; L93-I95 HydrophobicContact CD2-CG1 4.21Å; L93-I95 HydrophobicContact CG-CD1 4.44Å; L93-I95 HydrophobicContact CG-CG1 3.99Å; I95-L97 HydrophobicContact CG2-CD2 3.79Å; I95-L97 HydrophobicContact CG2-CG 4.16Å; I95-I132 HydrophobicContact CD1-CG2 3.69Å; I95-I132 HydrophobicContact CG1-CG2 4.09Å; I95-I133 PolarHBondContact N-O 3.29Å; I95-V134 HydrophobicContact CB-CG2 4.37Å; I95-V134 CarbonylContact O-C 3.36Å; I95-V134 WeakPolarHBondContact O-CA 3.35Å; I95-I135 PolarHBondContact O-N 3.03Å
96D97.2Very high95.7Very high0 Ų046.8 Ų46.80%024%0.244CC..EExtended strand (participates in β ladder)trans-87.7118.7171.7-171.6-10000110.2F42 T43 L45 G46 D98 I135 K136 W184F42-D96 HydrophobicContact CE2-CB 3.69Å; F42-D96 HydrophobicContact CZ-CB 3.84Å; T43-D96 PolarHBondContact O-N 3.39Å; L45-D96 PolarHBondContact N-O 3.25Å; G46-D96 PolarHBondContact N-O 2.93Å; D96-D98 WeakPolarHBondContact OD1-CB 3.46Å; D96-D98 PolarHBondContact OD1-N 3.34Å; D96-I135 HydrophobicContact CB-CD1 4.14Å; D96-I135 HydrophobicContact CB-CG1 3.91Å; D96-K136 WeakPolarHBondContact OD1-CE 3.1Å; D96-K136 IonicContact OD1-NZ 2.72Å; D96-K136 PolarHBondContact OD1-NZ 2.89Å; D96-K136 WeakPolarHBondContact OD2-CE 3.45Å; D96-K136 IonicContact OD2-NZ 2.64Å; D96-K136 PolarHBondContact OD2-NZ 3.43Å; D96-W184 PolarHBondContact OD2-NE1 3.38Å
97L96.5Very high95.8Very high17 Ų1744.8 Ų44.89%0.08924%0.236CC..  trans-106.114.1176.5-64.2-173.7000113.1L45 I95 M100 V134 I135 K136 A137 P138 A141L45-L97 HydrophobicContact CB-CD2 3.98Å; L45-L97 HydrophobicContact CD2-CD2 3.89Å; L45-L97 HydrophobicContact CG-CD2 4.07Å; I95-L97 HydrophobicContact CG2-CD2 3.79Å; I95-L97 HydrophobicContact CG2-CG 4.16Å; L97-M100 HydrophobicContact CB-CB 4.36Å; L97-M100 HydrophobicContact CB-SD 4.42Å; L97-M100 HydrophobicContact CD1-SD 4.09Å; L97-M100 HydrophobicContact CD2-SD 4.28Å; L97-M100 WeakPolarHBondContact O-CB 3.37Å; L97-M100 PolarHBondContact O-N 3.2Å; L97-M100 VanDerWaalsContact O-N 3.07Å; L97-V134 HydrophobicContact CB-CG1 4.47Å; L97-V134 HydrophobicContact CD1-CG1 3.38Å; L97-V134 HydrophobicContact CG-CG1 3.71Å; L97-I135 PolarHBondContact N-O 3.49Å; L97-I135 VanDerWaalsContact N-O 3.09Å; L97-K136 CarbonylContact C-O 3.54Å; L97-A137 HydrophobicContact CD1-CB 4.39Å; L97-P138 VanDerWaalsContact O-CD 3.23Å; L97-P138 WeakPolarHBondContact O-CD 3.49Å; L97-A141 HydrophobicContact CD1-CB 3.88Å
98D93.6Very high95.9Very high47 Ų4743.2 Ų43.225%0.25122%0.216SC..THydrogen-bonded Turntrans-56.4141171.2-164.812.9000110.6G46 N47 D96 M100 K136G46-D98 CarbonylContact C-O 3.47Å; G46-D98 WeakPolarHBondContact CA-O 3.48Å; N47-D98 PolarHBondContact N-O 3.38Å; N47-D98 PolarHBondContact OD1-O 3.4Å; D96-D98 WeakPolarHBondContact OD1-CB 3.46Å; D96-D98 PolarHBondContact OD1-N 3.34Å; D98-M100 PolarHBondContact O-N 3.12Å; D98-K136 HydrophobicContact CB-CB 3.86Å; D98-K136 HydrophobicContact CB-CD 3.97Å; D98-K136 VanDerWaalsContact CB-NZ 3.25Å; D98-K136 PolarHBondContact N-O 2.69Å; D98-K136 IonicContact OD2-NZ 2.81Å; D98-K136 PolarHBondContact OD2-NZ 3.11Å
99N93.8Very high95.9Very high102 Ų10236.4 Ų36.455%0.54519%0.191SC..THydrogen-bonded Turntrans60.910.5-172.7-51.2-61.7000116.4G46 N47 T101G46-N99 CarbonylContact O-C 3.56Å; N47-N99 WeakPolarHBondContact OD1-CB 3.5Å; N47-N99 PolarHBondContact OD1-ND2 3.4Å; N99-T101 WeakPolarHBondContact O-CG2 3.48Å; N99-T101 PolarHBondContact O-N 2.82Å
100M95.1Very high95.9Very high22 Ų2235.6 Ų35.611%0.10819%0.187CC..  trans-56125.4173.4179.9-175-177.100111.1G46 L97 D98 H104 Y105 P138 A141 A144G46-M100 PolarHBondContact O-N 3.11Å; L97-M100 HydrophobicContact CB-CB 4.36Å; L97-M100 HydrophobicContact CB-SD 4.42Å; L97-M100 HydrophobicContact CD1-SD 4.09Å; L97-M100 HydrophobicContact CD2-SD 4.28Å; L97-M100 WeakPolarHBondContact O-CB 3.37Å; L97-M100 PolarHBondContact O-N 3.2Å; L97-M100 VanDerWaalsContact O-N 3.07Å; D98-M100 PolarHBondContact O-N 3.12Å; M100-H104 HydrophobicContact CE-CB 3.72Å; M100-H104 HydrophobicContact CG-CB 3.87Å; M100-Y105 HydrophobicContact CE-CD1 4.11Å; M100-P138 HydrophobicContact CB-CG 3.99Å; M100-A141 HydrophobicContact SD-CB 3.86Å; M100-A144 HydrophobicContact CE-CB 3.43Å; M100-A144 VanDerWaalsContact CE-CB 3.43Å
101T94.4Very high95.9Very high68 Ų6834.3 Ų34.342%0.41719%0.185SC..  trans-104.8174178.167.40000112N99 S103 H104N99-T101 WeakPolarHBondContact O-CG2 3.48Å; N99-T101 PolarHBondContact O-N 2.82Å; T101-S103 PolarHBondContact O-N 3.32Å; T101-S103 PolarHBondContact OG1-N 3.25Å; T101-H104 PolarHBondContact N-ND1 3.43Å; T101-H104 VanDerWaalsContact N-ND1 3.1Å; T101-H104 WeakPolarHBondContact O-CB 3.4Å; T101-H104 PolarHBondContact O-N 3.01Å; T101-H104 PolarHBondContact O-ND1 3.21Å; T101-H104 PolarHBondContact OG1-ND1 3.45Å; T101-H104 VanDerWaalsContact OG1-ND1 3.11Å
102T95.1Very high95.7Very high71 Ų7135.3 Ų35.344%0.43619%0.191SC..THydrogen-bonded Turntrans-57.1-35173.151.90000113.1H104 Y105 T106 I140T102-H104 PolarHBondContact O-N 3.49Å; T102-H104 VanDerWaalsContact O-N 3.07Å; T102-Y105 VanDerWaalsContact CA-CE1 3.49Å; T102-Y105 HydrophobicContact CG2-CE1 4.26Å; T102-Y105 WeakPolarHBondContact O-CD1 3.29Å; T102-Y105 PolarHBondContact O-N 3.42Å; T102-T106 PolarHBondContact O-N 3.37Å; T102-T106 PolarHBondContact O-OG1 3.07Å; T102-I140 HydrophobicContact CG2-CD1 3.61Å
103S95.9Very high95.6Very high22 Ų2235.4 Ų35.415%0.15419%0.192CC..Hα-helixtrans-55.2-31.2179.7-57.70000112.3E51 T101 Y105 T106 F107E51-S103 WeakPolarHBondContact OE1-CB 3.31Å; E51-S103 PolarHBondContact OE1-OG 3.03Å; T101-S103 PolarHBondContact O-N 3.32Å; T101-S103 PolarHBondContact OG1-N 3.25Å; S103-Y105 PolarHBondContact O-N 2.91Å; S103-Y105 VanDerWaalsContact O-N 3.11Å; S103-T106 PolarHBondContact O-N 3.18Å; S103-F107 WeakPolarHBondContact O-CB 3.32Å; S103-F107 PolarHBondContact O-N 3.48Å
104H96.2Very high95.5Very high12 Ų1237.1 Ų37.16%0.05620%0.197CC..Hα-helixtrans-63.9-18.6178.3-66.177.1000114.2L45 G46 T48 M100 T101 T102 F110L45-H104 PolarHBondContact O-NE2 3.44Å; G46-H104 PolarHBondContact O-NE2 3.41Å; T48-H104 PolarHBondContact O-NE2 2.91Å; M100-H104 HydrophobicContact CE-CB 3.72Å; M100-H104 HydrophobicContact CG-CB 3.87Å; T101-H104 PolarHBondContact N-ND1 3.43Å; T101-H104 VanDerWaalsContact N-ND1 3.1Å; T101-H104 WeakPolarHBondContact O-CB 3.4Å; T101-H104 PolarHBondContact O-N 3.01Å; T101-H104 PolarHBondContact O-ND1 3.21Å; T101-H104 PolarHBondContact OG1-ND1 3.45Å; T101-H104 VanDerWaalsContact OG1-ND1 3.11Å; T102-H104 PolarHBondContact O-N 3.49Å; T102-H104 VanDerWaalsContact O-N 3.07Å; H104-F110 HydrophobicContact CB-CE1 4.46Å; H104-F110 WeakPolarHBondContact O-CD1 3.27Å; H104-F110 WeakPolarHBondContact O-CE1 3.38Å
105Y94.5Very high95.4Very high52 Ų5239.6 Ų39.620%0.20421%0.21CC..Hα-helixtrans-128.4-2.6176.969.4-92.3000114M100 T102 S103 I140 I143 A144 L147M100-Y105 HydrophobicContact CE-CD1 4.11Å; T102-Y105 VanDerWaalsContact CA-CE1 3.49Å; T102-Y105 HydrophobicContact CG2-CE1 4.26Å; T102-Y105 WeakPolarHBondContact O-CD1 3.29Å; T102-Y105 PolarHBondContact O-N 3.42Å; S103-Y105 PolarHBondContact O-N 2.91Å; S103-Y105 VanDerWaalsContact O-N 3.11Å; Y105-I140 HydrophobicContact CE1-CD1 3.77Å; Y105-I140 HydrophobicContact CE1-CG1 3.7Å; Y105-I140 WeakPolarHBondContact OH-CD1 3.27Å; Y105-I140 WeakPolarHBondContact OH-CG1 3.49Å; Y105-I143 HydrophobicContact CE2-CG2 4.48Å; Y105-A144 HydrophobicContact CD1-CB 4.01Å; Y105-A144 HydrophobicContact CG-CB 4Å; Y105-L147 HydrophobicContact CD2-CD1 4Å
106T95.1Very high95.3Very high88 Ų8839.7 Ų39.754%0.5421%0.212SC..Hα-helixtrans-112.4-21.7174.664.30000113.6T102 S103 K108T102-T106 PolarHBondContact O-N 3.37Å; T102-T106 PolarHBondContact O-OG1 3.07Å; S103-T106 PolarHBondContact O-N 3.18Å; T106-K108 PolarHBondContact O-N 3.18Å; T106-K108 VanDerWaalsContact O-N 3.07Å
107F95.5Very high95.2Very high40 Ų4040.6 Ų40.618%0.17522%0.217CC..  trans-77.997.9178.4-173.6-121.4000110V50 E51 F54 S103 P109 F110 T111 L289V50-F107 HydrophobicContact CG2-CB 4.5Å; V50-F107 HydrophobicContact CG2-CD1 4.23Å; E51-F107 HydrophobicContact CB-CE1 4.39Å; E51-F107 HydrophobicContact CB-CZ 4.4Å; E51-F107 HydrophobicContact CG-CD1 3.95Å; E51-F107 HydrophobicContact CG-CD2 3.92Å; E51-F107 HydrophobicContact CG-CE1 4.03Å; E51-F107 HydrophobicContact CG-CE2 4.02Å; E51-F107 HydrophobicContact CG-CG 3.89Å; E51-F107 HydrophobicContact CG-CZ 4.06Å; F54-F107 HydrophobicContact CB-CE1 3.84Å; F54-F107 HydrophobicContact CB-CZ 4.47Å; F54-F107 HydrophobicContact CG-CE1 4.43Å; S103-F107 WeakPolarHBondContact O-CB 3.32Å; S103-F107 PolarHBondContact O-N 3.48Å; F107-P109 VanDerWaalsContact C-CD 3.46Å; F107-P109 VanDerWaalsContact C-N 3.31Å; F107-P109 HydrophobicContact CD1-CB 4.31Å; F107-P109 HydrophobicContact CD1-CG 4.46Å; F107-P109 HydrophobicContact CD2-CG 4.5Å; F107-P109 HydrophobicContact CE1-CB 3.78Å; F107-P109 HydrophobicContact CE1-CG 3.93Å; F107-P109 HydrophobicContact CE2-CG 3.97Å; F107-P109 HydrophobicContact CZ-CB 4.01Å; F107-P109 HydrophobicContact CZ-CG 3.67Å; F107-F110 HydrophobicContact CD1-CB 3.89Å; F107-F110 PolarHBondContact O-N 3.4Å; F107-T111 PolarHBondContact O-N 3.01Å; F107-T111 VanDerWaalsContact O-N 3.08Å; F107-L289 HydrophobicContact CE2-CD1 4.49Å; F107-L289 HydrophobicContact CZ-CD1 3.72Å
108K93.8Very high95.2Very high92 Ų9240.7 Ų40.740%0.422%0.217SC..Hα-helixtrans-50.2-41.1-171.5-171.7173.7178.7177.10114T106 F110 T111 C112 E256T106-K108 PolarHBondContact O-N 3.18Å; T106-K108 VanDerWaalsContact O-N 3.07Å; K108-F110 VanDerWaalsContact C-N 3.34Å; K108-F110 PolarHBondContact O-N 2.81Å; K108-T111 WeakPolarHBondContact CA-OG1 3.49Å; K108-T111 PolarHBondContact O-N 3.05Å; K108-T111 PolarHBondContact O-OG1 3.06Å; K108-C112 WeakPolarHBondContact O-CB 3.23Å; K108-C112 PolarHBondContact O-N 3.09Å; K108-C112 PolarHBondContact O-SG 2.84Å; K108-E256 IonicContact NZ-OE1 2.63Å; K108-E256 PolarHBondContact NZ-OE1 3.06Å
109P94.9Very high95.3Very high13 Ų1340.6 Ų40.68%0.08422%0.223CC..Hα-helixtrans-58.9-43.4178.1-3038.8000115F54 F107 S113 E286 L289F54-P109 HydrophobicContact CB-CB 4.22Å; F54-P109 HydrophobicContact CD1-CB 3.88Å; F54-P109 WeakPolarHBondContact CE1-O 3.37Å; F54-P109 HydrophobicContact CG-CB 4.25Å; F107-P109 VanDerWaalsContact C-CD 3.46Å; F107-P109 VanDerWaalsContact C-N 3.31Å; F107-P109 HydrophobicContact CD1-CB 4.31Å; F107-P109 HydrophobicContact CD1-CG 4.46Å; F107-P109 HydrophobicContact CD2-CG 4.5Å; F107-P109 HydrophobicContact CE1-CB 3.78Å; F107-P109 HydrophobicContact CE1-CG 3.93Å; F107-P109 HydrophobicContact CE2-CG 3.97Å; F107-P109 HydrophobicContact CZ-CB 4.01Å; F107-P109 HydrophobicContact CZ-CG 3.67Å; P109-S113 WeakPolarHBondContact O-CB 3.22Å; P109-S113 PolarHBondContact O-N 3.35Å; P109-S113 PolarHBondContact O-OG 3.39Å; P109-E286 VanDerWaalsContact CA-CG 3.46Å; P109-E286 HydrophobicContact CB-CG 3.73Å; P109-E286 HydrophobicContact CG-CG 4.07Å; P109-L289 HydrophobicContact CB-CD1 4.17Å; P109-L289 HydrophobicContact CG-CD1 3.76Å; P109-L289 HydrophobicContact CG-CG 4.42Å
110F96.1Very high95.3Very high6 Ų636.5 Ų36.53%0.02620%0.201CC..Hα-helixtrans-67.5-48.7175.4171.7-100.3000111.2L45 V50 F54 F62 H104 F107 K108 C112 S113 Y114L45-F110 HydrophobicContact CD1-CE2 4.1Å; L45-F110 HydrophobicContact CD1-CZ 3.76Å; V50-F110 HydrophobicContact CB-CB 3.95Å; V50-F110 HydrophobicContact CB-CD2 4.02Å; V50-F110 HydrophobicContact CB-CG 3.89Å; V50-F110 HydrophobicContact CG1-CB 4.33Å; V50-F110 HydrophobicContact CG1-CD1 4.09Å; V50-F110 HydrophobicContact CG1-CD2 3.55Å; V50-F110 HydrophobicContact CG1-CE1 4.38Å; V50-F110 HydrophobicContact CG1-CE2 3.87Å; V50-F110 HydrophobicContact CG1-CG 3.69Å; V50-F110 HydrophobicContact CG1-CZ 4.3Å; F54-F110 HydrophobicContact CD2-CB 4.27Å; F54-F110 HydrophobicContact CD2-CD2 4.44Å; F54-F110 HydrophobicContact CE2-CB 4.12Å; F54-F110 AromaticContact CE2-CD2 3.68Å; F54-F110 HydrophobicContact CE2-CD2 3.68Å; F54-F110 HydrophobicContact CE2-CG 4.41Å; F54-F110 HydrophobicContact CZ-CB 4.49Å; F54-F110 HydrophobicContact CZ-CD2 4.21Å; F62-F110 HydrophobicContact CE1-CE2 4.47Å; F62-F110 HydrophobicContact CE2-CE2 4.22Å; F62-F110 HydrophobicContact CZ-CD2 4.43Å; F62-F110 AromaticContact CZ-CE2 3.81Å; F62-F110 HydrophobicContact CZ-CE2 3.81Å; H104-F110 HydrophobicContact CB-CE1 4.46Å; H104-F110 WeakPolarHBondContact O-CD1 3.27Å; H104-F110 WeakPolarHBondContact O-CE1 3.38Å; F107-F110 HydrophobicContact CD1-CB 3.89Å; F107-F110 PolarHBondContact O-N 3.4Å; K108-F110 VanDerWaalsContact C-N 3.34Å; K108-F110 PolarHBondContact O-N 2.81Å; F110-C112 PolarHBondContact O-N 3.22Å; F110-S113 PolarHBondContact O-N 3.38Å; F110-Y114 HydrophobicContact CE1-CD2 4.44Å; F110-Y114 HydrophobicContact CE2-CD2 4.17Å; F110-Y114 AromaticContact CZ-CD2 3.66Å; F110-Y114 HydrophobicContact CZ-CD2 3.66Å; F110-Y114 HydrophobicContact CZ-CE2 4.38Å; F110-Y114 HydrophobicContact CZ-CG 4.17Å; F110-Y114 WeakPolarHBondContact O-CB 3.42Å; F110-Y114 PolarHBondContact O-N 3.26Å
111T95.3Very high95.3Very high35 Ų3536.4 Ų36.422%0.21520%0.2CC..Hα-helixtrans-65.9-41.8-174.458.70000112.7F107 K108 S113 Y114 L115F107-T111 PolarHBondContact O-N 3.01Å; F107-T111 VanDerWaalsContact O-N 3.08Å; K108-T111 WeakPolarHBondContact CA-OG1 3.49Å; K108-T111 PolarHBondContact O-N 3.05Å; K108-T111 PolarHBondContact O-OG1 3.06Å; T111-S113 VanDerWaalsContact C-N 3.32Å; T111-S113 PolarHBondContact O-N 3.03Å; T111-Y114 PolarHBondContact O-N 2.88Å; T111-L115 VanDerWaalsContact O-CG 3.31Å; T111-L115 WeakPolarHBondContact O-CG 3.26Å; T111-L115 PolarHBondContact O-N 3Å
112C93.8Very high95.3Very high21 Ų2135 Ų3514%0.14219%0.189CC..Hα-helixtrans-58.9-45.1173.3-75.30000111.3K108 F110 Y114 L115 T116K108-C112 WeakPolarHBondContact O-CB 3.23Å; K108-C112 PolarHBondContact O-N 3.09Å; K108-C112 PolarHBondContact O-SG 2.84Å; F110-C112 PolarHBondContact O-N 3.22Å; C112-Y114 PolarHBondContact O-N 3.46Å; C112-L115 PolarHBondContact O-N 3.16Å; C112-T116 PolarHBondContact O-N 3.38Å; C112-T116 PolarHBondContact O-OG1 2.82Å
113S96.1Very high95.3Very high1 Ų137.6 Ų37.61%0.00720%0.2CC..Hα-helixtrans-70.9-33.3-178.2-53.60000112.6F54 S59 P109 F110 T111 T116 L117F54-S113 WeakPolarHBondContact CE1-OG 3.49Å; S59-S113 WeakPolarHBondContact CB-OG 3.2Å; P109-S113 WeakPolarHBondContact O-CB 3.22Å; P109-S113 PolarHBondContact O-N 3.35Å; P109-S113 PolarHBondContact O-OG 3.39Å; F110-S113 PolarHBondContact O-N 3.38Å; T111-S113 VanDerWaalsContact C-N 3.32Å; T111-S113 PolarHBondContact O-N 3.03Å; S113-T116 PolarHBondContact O-N 3.48Å; S113-L117 WeakPolarHBondContact O-CB 3.19Å; S113-L117 PolarHBondContact O-N 2.82Å
114Y96.6Very high95.1Very high54 Ų5439.3 Ų39.321%0.21221%0.207CC..Hα-helixtrans-67.4-38.4172.5-164.1-89.5000111.7L45 F62 F110 T111 C112 L117 L118 L148L45-Y114 HydrophobicContact CD2-CE2 3.91Å; F62-Y114 HydrophobicContact CZ-CD2 4.33Å; F110-Y114 HydrophobicContact CE1-CD2 4.44Å; F110-Y114 HydrophobicContact CE2-CD2 4.17Å; F110-Y114 AromaticContact CZ-CD2 3.66Å; F110-Y114 HydrophobicContact CZ-CD2 3.66Å; F110-Y114 HydrophobicContact CZ-CE2 4.38Å; F110-Y114 HydrophobicContact CZ-CG 4.17Å; F110-Y114 WeakPolarHBondContact O-CB 3.42Å; F110-Y114 PolarHBondContact O-N 3.26Å; T111-Y114 PolarHBondContact O-N 2.88Å; C112-Y114 PolarHBondContact O-N 3.46Å; Y114-L117 PolarHBondContact O-N 2.63Å; Y114-L118 WeakPolarHBondContact O-CB 3.49Å; Y114-L118 PolarHBondContact O-N 2.73Å; Y114-L148 HydrophobicContact CD1-CD1 4.36Å; Y114-L148 HydrophobicContact CD1-CD2 4.34Å; Y114-L148 HydrophobicContact CE1-CD1 4.06Å; Y114-L148 HydrophobicContact CE1-CD2 4.25Å
115L96Very high95Very high52 Ų5239 Ų3927%0.27221%0.206SC..Hα-helixtrans-65.7-39.6172.6-69.3177.2000111.8T111 C112 L118 A119 L148 F151T111-L115 VanDerWaalsContact O-CG 3.31Å; T111-L115 WeakPolarHBondContact O-CG 3.26Å; T111-L115 PolarHBondContact O-N 3Å; C112-L115 PolarHBondContact O-N 3.16Å; L115-L118 PolarHBondContact O-N 2.82Å; L115-A119 PolarHBondContact O-N 3.32Å; L115-L148 HydrophobicContact CD2-CD2 4Å; L115-F151 HydrophobicContact CD1-CD1 4.49Å; L115-F151 HydrophobicContact CD1-CD2 4.46Å; L115-F151 HydrophobicContact CD1-CE1 4.2Å; L115-F151 HydrophobicContact CD1-CE2 4.17Å; L115-F151 HydrophobicContact CD1-CZ 4.03Å; L115-F151 HydrophobicContact CD2-CB 3.9Å; L115-F151 HydrophobicContact CD2-CD1 4.11Å; L115-F151 HydrophobicContact CD2-CD2 3.6Å; L115-F151 HydrophobicContact CD2-CE2 4.11Å; L115-F151 HydrophobicContact CD2-CG 3.59Å
116T95.4Very high94.9Very high18 Ų1841.4 Ų41.411%0.1123%0.227CC..Hα-helixtrans-60.8-47.2172-64.90000111.2V63 C112 S113 L118 A119 L120 I283 R284 F285V63-T116 HydrophobicContact CG2-CG2 4.48Å; C112-T116 PolarHBondContact O-N 3.38Å; C112-T116 PolarHBondContact O-OG1 2.82Å; S113-T116 PolarHBondContact O-N 3.48Å; T116-L118 VanDerWaalsContact C-N 3.32Å; T116-L118 PolarHBondContact O-N 3.24Å; T116-A119 PolarHBondContact O-N 3.28Å; T116-L120 HydrophobicContact CG2-CD1 3.98Å; T116-L120 HydrophobicContact CG2-CG 4.46Å; T116-L120 VanDerWaalsContact O-CG 3.3Å; T116-L120 WeakPolarHBondContact O-CG 3.11Å; T116-L120 PolarHBondContact O-N 2.73Å; T116-I283 HydrophobicContact CG2-CG2 3.59Å; T116-R284 PolarHBondContact OG1-O 2.97Å; T116-F285 HydrophobicContact CG2-CE1 4.5Å
117L96.4Very high94.8Very high20 Ų2038.8 Ų38.811%0.10522%0.217CC..Hα-helixtrans-57.3-45.8174.6172.262.3000111.5F62 V63 S66 L67 S113 Y114 L120 F121F62-L117 HydrophobicContact CE1-CD2 4.26Å; F62-L117 HydrophobicContact CZ-CD2 4.48Å; V63-L117 HydrophobicContact CG1-CB 4.41Å; V63-L117 HydrophobicContact CG1-CD1 4.25Å; V63-L117 HydrophobicContact CG2-CB 4.37Å; S66-L117 VanDerWaalsContact CB-CD2 3.49Å; S66-L117 WeakPolarHBondContact OG-CD2 2.97Å; L67-L117 HydrophobicContact CD2-CD1 4.05Å; L67-L117 HydrophobicContact CG-CD1 4.28Å; S113-L117 WeakPolarHBondContact O-CB 3.19Å; S113-L117 PolarHBondContact O-N 2.82Å; Y114-L117 PolarHBondContact O-N 2.63Å; L117-L120 PolarHBondContact O-N 2.75Å; L117-F121 VanDerWaalsContact O-CB 3.31Å; L117-F121 WeakPolarHBondContact O-CB 3.23Å; L117-F121 PolarHBondContact O-N 2.92Å
118L96.1Very high94.8Very high18 Ų1837.8 Ų37.89%0.09422%0.215CC..Hα-helixtrans-61.1-46.2179.8177.563.4000111.5Y114 L115 T116 F121 Q122 L148 F151 L152Y114-L118 WeakPolarHBondContact O-CB 3.49Å; Y114-L118 PolarHBondContact O-N 2.73Å; L115-L118 PolarHBondContact O-N 2.82Å; T116-L118 VanDerWaalsContact C-N 3.32Å; T116-L118 PolarHBondContact O-N 3.24Å; L118-F121 HydrophobicContact CD1-CD1 4.47Å; L118-F121 PolarHBondContact O-N 3.22Å; L118-Q122 HydrophobicContact CD1-CG 4.19Å; L118-Q122 VanDerWaalsContact O-CG 3.29Å; L118-Q122 WeakPolarHBondContact O-CG 3.13Å; L118-Q122 PolarHBondContact O-N 2.86Å; L118-L148 HydrophobicContact CD2-CD2 3.56Å; L118-F151 HydrophobicContact CD2-CB 4.02Å; L118-L152 HydrophobicContact CD1-CD2 3.74Å; L118-L152 HydrophobicContact CD2-CD2 3.7Å; L118-L152 HydrophobicContact CD2-CG 4.42Å; L118-L152 HydrophobicContact CG-CD2 4.32Å
119A95Very high95Very high45 Ų4533.8 Ų33.837%0.37220%0.197SC..Hα-helixtrans-60-50176.900000111.2L115 T116 F121 Q122 D123L115-A119 PolarHBondContact O-N 3.32Å; T116-A119 PolarHBondContact O-N 3.28Å; A119-F121 VanDerWaalsContact C-N 3.31Å; A119-F121 PolarHBondContact O-N 3.47Å; A119-Q122 PolarHBondContact O-N 2.99Å; A119-D123 WeakPolarHBondContact O-CB 3.21Å; A119-D123 PolarHBondContact O-N 2.93Å
120L94.6Very high95Very high16 Ų1635.3 Ų35.38%0.08420%0.203CC..Hα-helixtrans-61-40179-69.1174000112.5F3 W7 V63 T116 L117 N124 I283F3-L120 HydrophobicContact CD2-CD2 3.99Å; F3-L120 HydrophobicContact CE2-CD1 3.96Å; F3-L120 HydrophobicContact CE2-CD2 3.58Å; F3-L120 HydrophobicContact CE2-CG 4.22Å; F3-L120 HydrophobicContact CZ-CB 4.22Å; F3-L120 HydrophobicContact CZ-CD1 4.23Å; F3-L120 HydrophobicContact CZ-CD2 4.08Å; F3-L120 HydrophobicContact CZ-CG 4.41Å; W7-L120 HydrophobicContact CH2-CD1 4.26Å; W7-L120 HydrophobicContact CZ2-CD1 4.07Å; V63-L120 HydrophobicContact CG1-CD1 3.7Å; T116-L120 HydrophobicContact CG2-CD1 3.98Å; T116-L120 HydrophobicContact CG2-CG 4.46Å; T116-L120 VanDerWaalsContact O-CG 3.3Å; T116-L120 WeakPolarHBondContact O-CG 3.11Å; T116-L120 PolarHBondContact O-N 2.73Å; L117-L120 PolarHBondContact O-N 2.75Å; L120-N124 VanDerWaalsContact O-CB 3.3Å; L120-N124 WeakPolarHBondContact O-CB 3.43Å; L120-N124 PolarHBondContact O-N 3.41Å; L120-N124 PolarHBondContact O-ND2 3.25Å; L120-I283 HydrophobicContact CD1-CD1 4.22Å; L120-I283 HydrophobicContact CD2-CD1 3.98Å; L120-I283 HydrophobicContact CD2-CG1 4.35Å
121F94.8Very high95Very high21 Ų2137.3 Ų37.39%0.09221%0.211CC..Hα-helixtrans-59.7-52.8174.7163.9-106000111.1I70 L117 L118 A119 D123 N124 Y125 F129 T156I70-F121 HydrophobicContact CD1-CD2 4.14Å; L117-F121 VanDerWaalsContact O-CB 3.31Å; L117-F121 WeakPolarHBondContact O-CB 3.23Å; L117-F121 PolarHBondContact O-N 2.92Å; L118-F121 HydrophobicContact CD1-CD1 4.47Å; L118-F121 PolarHBondContact O-N 3.22Å; A119-F121 VanDerWaalsContact C-N 3.31Å; A119-F121 PolarHBondContact O-N 3.47Å; F121-D123 VanDerWaalsContact C-N 3.29Å; F121-D123 PolarHBondContact O-N 3.26Å; F121-N124 PolarHBondContact O-N 3.27Å; F121-Y125 HydrophobicContact CD2-CD2 4.46Å; F121-Y125 HydrophobicContact CD2-CG 4.35Å; F121-Y125 WeakPolarHBondContact O-CA 3.35Å; F121-Y125 WeakPolarHBondContact O-CB 3.25Å; F121-Y125 PolarHBondContact O-N 2.84Å; F121-F129 HydrophobicContact CD2-CD2 4.48Å; F121-F129 AromaticContact CD2-CE2 3.94Å; F121-F129 HydrophobicContact CD2-CE2 3.94Å; F121-F129 HydrophobicContact CE1-CD2 4.26Å; F121-F129 HydrophobicContact CE1-CE2 4.44Å; F121-F129 AromaticContact CE2-CD2 3.42Å; F121-F129 HydrophobicContact CE2-CD2 3.42Å; F121-F129 VanDerWaalsContact CE2-CD2 3.42Å; F121-F129 AromaticContact CE2-CE2 3.25Å; F121-F129 HydrophobicContact CE2-CE2 3.25Å; F121-F129 HydrophobicContact CE2-CZ 4.31Å; F121-F129 AromaticContact CZ-CD2 3.3Å; F121-F129 HydrophobicContact CZ-CD2 3.3Å; F121-F129 AromaticContact CZ-CE2 3.58Å; F121-F129 HydrophobicContact CZ-CE2 3.58Å; F121-F129 HydrophobicContact CZ-CG 4.45Å; F121-T156 HydrophobicContact CE1-CG2 4.2Å
122Q94.9Very high95.1Very high39 Ų3936.1 Ų36.118%0.18220%0.203CC..Hα-helixtrans-63.3-36.2-176.8-67.9-176.3144.300112.5L118 A119 F151 T156L118-Q122 HydrophobicContact CD1-CG 4.19Å; L118-Q122 VanDerWaalsContact O-CG 3.29Å; L118-Q122 WeakPolarHBondContact O-CG 3.13Å; L118-Q122 PolarHBondContact O-N 2.86Å; A119-Q122 PolarHBondContact O-N 2.99Å; Q122-F151 PolarHBondContact NE2-O 3.11Å; Q122-T156 WeakPolarHBondContact CG-OG1 3.25Å; Q122-T156 VanDerWaalsContact OE1-CB 3.29Å; Q122-T156 PolarHBondContact OE1-OG1 2.67Å
123D93.5Very high95.3Very high125 Ų12535.2 Ų35.267%0.66820%0.197SC*.Hα-helixtrans-80.1-32-177.5-69.7-13000113.1A119 F121A119-D123 WeakPolarHBondContact O-CB 3.21Å; A119-D123 PolarHBondContact O-N 2.93Å; F121-D123 VanDerWaalsContact C-N 3.29Å; F121-D123 PolarHBondContact O-N 3.26Å
124N93.5Very high95.3Very high57 Ų5735.6 Ų35.631%0.30520%0.2SC..Hα-helixtrans-114.2-13.2-168.9-61.5-86.4000114.8F3 L120 F121F3-N124 WeakPolarHBondContact CB-OD1 3.46Å; F3-N124 HydrophobicContact CD1-CB 3.72Å; F3-N124 WeakPolarHBondContact CD1-OD1 3.3Å; F3-N124 HydrophobicContact CE1-CB 3.78Å; L120-N124 VanDerWaalsContact O-CB 3.3Å; L120-N124 WeakPolarHBondContact O-CB 3.43Å; L120-N124 PolarHBondContact O-N 3.41Å; L120-N124 PolarHBondContact O-ND2 3.25Å; F121-N124 PolarHBondContact O-N 3.27Å
125Y93.8Very high95.3Very high7 Ų733 Ų333%0.02719%0.19CC..  trans-126.348.1-179.1-60.1-93.7000112.6F3 L9 L67 I70 E71 L74 F121 G127 V128F3-Y125 HydrophobicContact CE1-CE2 4.13Å; L9-Y125 VanDerWaalsContact CD1-OH 3.24Å; L9-Y125 WeakPolarHBondContact CD1-OH 3.3Å; L67-Y125 HydrophobicContact CD2-CD2 4.4Å; L67-Y125 HydrophobicContact CD2-CE2 3.55Å; I70-Y125 HydrophobicContact CG2-CD1 3.67Å; I70-Y125 HydrophobicContact CG2-CE1 3.77Å; I70-Y125 HydrophobicContact CG2-CG 4.31Å; E71-Y125 WeakPolarHBondContact OE1-CE1 3.48Å; E71-Y125 PolarHBondContact OE1-OH 3.08Å; L74-Y125 HydrophobicContact CD1-CD1 3.95Å; L74-Y125 HydrophobicContact CD1-CE1 4.07Å; F121-Y125 HydrophobicContact CD2-CD2 4.46Å; F121-Y125 HydrophobicContact CD2-CG 4.35Å; F121-Y125 WeakPolarHBondContact O-CA 3.35Å; F121-Y125 WeakPolarHBondContact O-CB 3.25Å; F121-Y125 PolarHBondContact O-N 2.84Å; Y125-G127 PolarHBondContact O-N 2.91Å; Y125-V128 HydrophobicContact CD1-CG2 4.27Å; Y125-V128 WeakPolarHBondContact O-CG2 3.29Å; Y125-V128 PolarHBondContact O-N 3.35Å
126P92.5Very high95.2Very high102 Ų10232.6 Ų32.666%0.66219%0.185SC*.THydrogen-bonded Turntrans-62.6134.1-179.929.1-35.6000110.8V128P126-V128 PolarHBondContact O-N 3.15Å
127G92.5Very high95.2Very high32 Ų3232.2 Ų32.233%0.3318%0.184SC..THydrogen-bonded Turntrans725.8174.300000116.2K90 Y125K90-G127 WeakPolarHBondContact CD-O 3.47Å; K90-G127 WeakPolarHBondContact CE-O 3.5Å; K90-G127 PolarHBondContact NZ-O 2.85Å; Y125-G127 PolarHBondContact O-N 2.91Å
128V95.6Very high95Very high20 Ų2033.3 Ų33.312%0.12119%0.192CC..  trans-66-44.6-179.6166.30000112.2I70 L74 K90 V91 Y125 P126I70-V128 HydrophobicContact CG2-CG1 4.37Å; L74-V128 HydrophobicContact CD1-CG1 4.37Å; L74-V128 HydrophobicContact CD1-CG2 4.28Å; L74-V128 HydrophobicContact CD2-CB 4.31Å; L74-V128 HydrophobicContact CD2-CG1 3.56Å; L74-V128 HydrophobicContact CD2-CG2 3.94Å; L74-V128 HydrophobicContact CG-CG1 4.04Å; K90-V128 WeakPolarHBondContact CA-O 3.42Å; K90-V128 WeakPolarHBondContact CB-O 3.29Å; V91-V128 HydrophobicContact CG2-CG1 4.27Å; V91-V128 PolarHBondContact N-O 2.92Å; Y125-V128 HydrophobicContact CD1-CG2 4.27Å; Y125-V128 WeakPolarHBondContact O-CG2 3.29Å; Y125-V128 PolarHBondContact O-N 3.35Å; P126-V128 PolarHBondContact O-N 3.15Å
129F97.3Very high94.6Very high7 Ų738.5 Ų38.53%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-87.5140177.7-62.6-52000111.4L41 I70 V91 L93 F121 I132 L159L41-F129 HydrophobicContact CD2-CE1 4.27Å; L41-F129 HydrophobicContact CD2-CZ 4.27Å; I70-F129 HydrophobicContact CD1-CZ 4.43Å; I70-F129 HydrophobicContact CG1-CZ 4.15Å; V91-F129 HydrophobicContact CB-CD1 3.75Å; V91-F129 HydrophobicContact CB-CE1 3.93Å; V91-F129 HydrophobicContact CG1-CD1 3.94Å; V91-F129 HydrophobicContact CG1-CE1 3.76Å; V91-F129 VanDerWaalsContact O-CA 3.32Å; V91-F129 WeakPolarHBondContact O-CA 3.31Å; L93-F129 HydrophobicContact CB-CD1 3.85Å; L93-F129 HydrophobicContact CB-CE1 3.85Å; L93-F129 HydrophobicContact CB-CG 4.28Å; L93-F129 HydrophobicContact CB-CZ 4.25Å; L93-F129 HydrophobicContact CD2-CD2 4.33Å; L93-F129 HydrophobicContact CD2-CE1 4.4Å; L93-F129 HydrophobicContact CD2-CE2 3.89Å; L93-F129 HydrophobicContact CD2-CZ 3.94Å; F121-F129 HydrophobicContact CD2-CD2 4.48Å; F121-F129 AromaticContact CD2-CE2 3.94Å; F121-F129 HydrophobicContact CD2-CE2 3.94Å; F121-F129 HydrophobicContact CE1-CD2 4.26Å; F121-F129 HydrophobicContact CE1-CE2 4.44Å; F121-F129 AromaticContact CE2-CD2 3.42Å; F121-F129 HydrophobicContact CE2-CD2 3.42Å; F121-F129 VanDerWaalsContact CE2-CD2 3.42Å; F121-F129 AromaticContact CE2-CE2 3.25Å; F121-F129 HydrophobicContact CE2-CE2 3.25Å; F121-F129 HydrophobicContact CE2-CZ 4.31Å; F121-F129 AromaticContact CZ-CD2 3.3Å; F121-F129 HydrophobicContact CZ-CD2 3.3Å; F121-F129 AromaticContact CZ-CE2 3.58Å; F121-F129 HydrophobicContact CZ-CE2 3.58Å; F121-F129 HydrophobicContact CZ-CG 4.45Å; F129-I132 HydrophobicContact CB-CG1 4.4Å; F129-I132 HydrophobicContact CD2-CD1 4.28Å; F129-I132 HydrophobicContact CD2-CG1 4.4Å; F129-L159 HydrophobicContact CB-CD1 4.23Å
130K95.6Very high94.4Very high45 Ų4538.6 Ų38.620%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-91.1-27.5167.964.3179.9178.3-176.10113.2D34 E36 S38 K90 V91 L159D34-K130 IonicContact OD1-NZ 2.59Å; D34-K130 PolarHBondContact OD1-NZ 3.26Å; D34-K130 WeakPolarHBondContact OD2-CE 3.2Å; D34-K130 IonicContact OD2-NZ 3.09Å; D34-K130 PolarHBondContact OD2-NZ 2.88Å; E36-K130 IonicContact OE2-NZ 2.58Å; E36-K130 PolarHBondContact OE2-NZ 2.95Å; S38-K130 VanDerWaalsContact CB-NZ 3.34Å; S38-K130 VanDerWaalsContact OG-CE 3.27Å; S38-K130 WeakPolarHBondContact OG-CE 3.36Å; S38-K130 PolarHBondContact OG-NZ 3.35Å; K90-K130 HydrophobicContact CB-CB 3.82Å; K90-K130 HydrophobicContact CB-CD 4.35Å; K90-K130 HydrophobicContact CB-CG 4.26Å; K90-K130 HydrophobicContact CD-CB 3.78Å; K90-K130 HydrophobicContact CG-CB 4.45Å; V91-K130 PolarHBondContact O-N 3.19Å; K130-L159 WeakPolarHBondContact O-CD2 3.49Å
131K96.8Very high94.3Very high48 Ų4838 Ų3821%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-162.5153.2176-156.3158.6-178.2178.10110.3L92 L93 I133 L159 E161 H174L92-K131 HydrophobicContact CD1-CB 3.79Å; L93-K131 PolarHBondContact N-O 3.5Å; K131-I133 HydrophobicContact CD-CG1 4.44Å; K131-I133 HydrophobicContact CG-CG1 4.19Å; K131-L159 WeakPolarHBondContact CG-O 3.33Å; K131-E161 WeakPolarHBondContact CE-OE2 3.3Å; K131-E161 IonicContact NZ-OE2 2.92Å; K131-E161 PolarHBondContact NZ-OE2 3.43Å; K131-H174 PolarHBondContact NZ-NE2 2.91Å
132I97.2Very high94.2Very high10 Ų1042.2 Ų42.25%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-122.7110.3173.8-55.7176.9000106.8L93 I95 F129 T156 L159 I160 E161L93-I132 HydrophobicContact CB-CG1 4.18Å; L93-I132 HydrophobicContact CB-CG2 4.45Å; L93-I132 HydrophobicContact CD2-CD1 4.27Å; L93-I132 HydrophobicContact CD2-CG1 4.1Å; L93-I132 HydrophobicContact CD2-CG2 3.96Å; L93-I132 HydrophobicContact CG-CG2 4.15Å; L93-I132 CarbonylContact O-C 3.52Å; L93-I132 VanDerWaalsContact O-CA 3.29Å; L93-I132 WeakPolarHBondContact O-CA 3.02Å; I95-I132 HydrophobicContact CD1-CG2 3.69Å; I95-I132 HydrophobicContact CG1-CG2 4.09Å; F129-I132 HydrophobicContact CB-CG1 4.4Å; F129-I132 HydrophobicContact CD2-CD1 4.28Å; F129-I132 HydrophobicContact CD2-CG1 4.4Å; I132-T156 HydrophobicContact CD1-CG2 4.48Å; I132-L159 HydrophobicContact CD1-CB 4.34Å; I132-L159 HydrophobicContact CG1-CB 4.16Å; I132-L159 PolarHBondContact N-O 3.36Å; I132-I160 HydrophobicContact CB-CG1 4.08Å; I132-I160 HydrophobicContact CD1-CG1 4.07Å; I132-I160 HydrophobicContact CG2-CG1 4.29Å; I132-I160 CarbonylContact O-C 3.59Å; I132-I160 WeakPolarHBondContact O-CA 3.47Å; I132-E161 PolarHBondContact O-N 3.36Å
133I97Very high94.1Very high2 Ų244.6 Ų44.61%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-106.3120-179.5-53.5177.5000108.8L92 L93 I94 I95 K131 I135L92-I133 HydrophobicContact CD1-CD1 4.1Å; L92-I133 HydrophobicContact CD1-CG1 4.28Å; L93-I133 PolarHBondContact O-N 2.96Å; I94-I133 CarbonylContact C-O 3.55Å; I94-I133 WeakPolarHBondContact CA-O 3.48Å; I94-I133 HydrophobicContact CD1-CB 3.7Å; I94-I133 HydrophobicContact CD1-CD1 3.95Å; I94-I133 HydrophobicContact CD1-CG1 4.08Å; I95-I133 PolarHBondContact N-O 3.29Å; K131-I133 HydrophobicContact CD-CG1 4.44Å; K131-I133 HydrophobicContact CG-CG1 4.19Å; I133-I135 HydrophobicContact CG2-CG2 4.02Å
134V96.8Very high94.1Very high10 Ų1039.1 Ų39.16%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-94.4120.9176-1770000108.9I95 L97 A137 I160 E161 M162I95-V134 HydrophobicContact CB-CG2 4.37Å; I95-V134 CarbonylContact O-C 3.36Å; I95-V134 WeakPolarHBondContact O-CA 3.35Å; L97-V134 HydrophobicContact CB-CG1 4.47Å; L97-V134 HydrophobicContact CD1-CG1 3.38Å; L97-V134 HydrophobicContact CG-CG1 3.71Å; V134-A137 HydrophobicContact CG1-CB 4.07Å; V134-I160 HydrophobicContact CG2-CG2 4.24Å; V134-E161 PolarHBondContact N-O 3.2Å; V134-M162 HydrophobicContact CB-CB 3.94Å; V134-M162 HydrophobicContact CB-CG 3.9Å; V134-M162 HydrophobicContact CG1-CB 4.48Å; V134-M162 HydrophobicContact CG1-CG 3.91Å; V134-M162 HydrophobicContact CG1-SD 4.09Å; V134-M162 HydrophobicContact CG2-CB 4.36Å
135I96.4Very high94.2Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans-112.1153.8-177.270.6171.9000111.2F42 I94 I95 D96 L97 I133 A137 W167 L171 W180F42-I135 HydrophobicContact CE2-CD1 4.07Å; F42-I135 HydrophobicContact CZ-CD1 4.34Å; I94-I135 HydrophobicContact CG2-CD1 3.99Å; I94-I135 HydrophobicContact CG2-CG1 4.24Å; I94-I135 HydrophobicContact CG2-CG2 3.97Å; I95-I135 PolarHBondContact O-N 3.03Å; D96-I135 HydrophobicContact CB-CD1 4.14Å; D96-I135 HydrophobicContact CB-CG1 3.91Å; L97-I135 PolarHBondContact N-O 3.49Å; L97-I135 VanDerWaalsContact N-O 3.09Å; I133-I135 HydrophobicContact CG2-CG2 4.02Å; I135-A137 PolarHBondContact O-N 3.29Å; I135-W167 HydrophobicContact CB-CB 4.16Å; I135-W167 HydrophobicContact CB-CD2 3.77Å; I135-W167 HydrophobicContact CB-CE3 3.64Å; I135-W167 HydrophobicContact CB-CG 4.01Å; I135-W167 HydrophobicContact CB-CZ3 4.27Å; I135-W167 HydrophobicContact CD1-CE3 4.33Å; I135-W167 HydrophobicContact CD1-CZ3 4.1Å; I135-W167 HydrophobicContact CG2-CB 4.09Å; I135-W167 HydrophobicContact CG2-CD2 4.07Å; I135-W167 HydrophobicContact CG2-CE3 3.56Å; I135-W167 HydrophobicContact CG2-CG 4.33Å; I135-W167 HydrophobicContact CG2-CZ3 4.3Å; I135-L171 HydrophobicContact CG2-CD1 3.98Å; I135-W180 HydrophobicContact CD1-CZ2 4.41Å
136K94.5Very high94.2Very high42 Ų4243.2 Ų43.218%0.18324%0.239CC..SBendtrans49.234.6178.6-62.5-174.7-69.2160.50113.9D96 L97 D98 P138 W167D96-K136 WeakPolarHBondContact OD1-CE 3.1Å; D96-K136 IonicContact OD1-NZ 2.72Å; D96-K136 PolarHBondContact OD1-NZ 2.89Å; D96-K136 WeakPolarHBondContact OD2-CE 3.45Å; D96-K136 IonicContact OD2-NZ 2.64Å; D96-K136 PolarHBondContact OD2-NZ 3.43Å; L97-K136 CarbonylContact C-O 3.54Å; D98-K136 HydrophobicContact CB-CB 3.86Å; D98-K136 HydrophobicContact CB-CD 3.97Å; D98-K136 VanDerWaalsContact CB-NZ 3.25Å; D98-K136 PolarHBondContact N-O 2.69Å; D98-K136 IonicContact OD2-NZ 2.81Å; D98-K136 PolarHBondContact OD2-NZ 3.11Å; K136-P138 WeakPolarHBondContact O-CD 3.38Å; K136-W167 HydrophobicContact CD-CZ2 4.2Å; K136-W167 HydrophobicContact CG-CZ2 3.75Å
137A94.3Very high94.4Very high10 Ų1043.2 Ų43.28%0.08323%0.233CC..  trans-66.4115.4178.500000110.9L97 V134 I135 A141 M162L97-A137 HydrophobicContact CD1-CB 4.39Å; V134-A137 HydrophobicContact CG1-CB 4.07Å; I135-A137 PolarHBondContact O-N 3.29Å; A137-A141 HydrophobicContact CB-CB 3.94Å; A137-M162 HydrophobicContact CB-CG 3.87Å; A137-M162 HydrophobicContact CB-SD 3.89Å
138P92.4Very high94.5Very high43 Ų4343.7 Ų43.728%0.27923%0.227SC..  trans-65.7161.9172.627.2-34.3000110.5L97 M100 K136 I140 A141L97-P138 VanDerWaalsContact O-CD 3.23Å; L97-P138 WeakPolarHBondContact O-CD 3.49Å; M100-P138 HydrophobicContact CB-CG 3.99Å; K136-P138 WeakPolarHBondContact O-CD 3.38Å; P138-I140 HydrophobicContact CB-CG2 4.26Å; P138-I140 HydrophobicContact CG-CG2 3.93Å; P138-I140 PolarHBondContact O-N 3.32Å; P138-A141 HydrophobicContact CG-CB 4.31Å; P138-A141 WeakPolarHBondContact O-CB 3.44Å; P138-A141 PolarHBondContact O-N 3.24Å
139T88.8Confident94.5Very high127 Ų12745.3 Ų45.378%0.77924%0.235SC*.THydrogen-bonded Turntrans-50.9-35.5179.7-540000112.9A141 K142T139-A141 VanDerWaalsContact C-N 3.28Å; T139-A141 PolarHBondContact O-N 2.86Å; T139-K142 PolarHBondContact O-N 3.21Å
140I89.8Confident94.5Very high48 Ų4850 Ų5025%0.24627%0.266CS..THydrogen-bonded Turntrans-68.4-23.6-179.9-153.4168.4000113.4T102 Y105 P138 K142 I143 A144T102-I140 HydrophobicContact CG2-CD1 3.61Å; Y105-I140 HydrophobicContact CE1-CD1 3.77Å; Y105-I140 HydrophobicContact CE1-CG1 3.7Å; Y105-I140 WeakPolarHBondContact OH-CD1 3.27Å; Y105-I140 WeakPolarHBondContact OH-CG1 3.49Å; P138-I140 HydrophobicContact CB-CG2 4.26Å; P138-I140 HydrophobicContact CG-CG2 3.93Å; P138-I140 PolarHBondContact O-N 3.32Å; I140-K142 PolarHBondContact O-N 3.1Å; I140-I143 HydrophobicContact CG1-CD1 4.3Å; I140-I143 WeakPolarHBondContact O-CB 3.02Å; I140-I143 PolarHBondContact O-N 3.27Å; I140-A144 PolarHBondContact O-N 2.88Å
141A93.4Very high94.5Very high3 Ų353.1 Ų53.13%0.02528%0.28CS..Hα-helixtrans-62.2-28.8177.700000112.3L97 M100 A137 P138 T139 I143 A144 Y145 M162L97-A141 HydrophobicContact CD1-CB 3.88Å; M100-A141 HydrophobicContact SD-CB 3.86Å; A137-A141 HydrophobicContact CB-CB 3.94Å; P138-A141 HydrophobicContact CG-CB 4.31Å; P138-A141 WeakPolarHBondContact O-CB 3.44Å; P138-A141 PolarHBondContact O-N 3.24Å; T139-A141 VanDerWaalsContact C-N 3.28Å; T139-A141 PolarHBondContact O-N 2.86Å; A141-I143 VanDerWaalsContact C-N 3.28Å; A141-I143 PolarHBondContact O-N 3Å; A141-A144 PolarHBondContact O-N 2.57Å; A141-Y145 WeakPolarHBondContact O-CB 3.43Å; A141-Y145 PolarHBondContact O-N 3.02Å; A141-M162 HydrophobicContact CB-SD 4.38Å
142K91.7Very high94.5Very high109 Ų10952 Ų5247%0.47428%0.276SS..Hα-helixtrans-62.9-34.8173.6-68.2-180179.9174.40112.2T139 I140 N146 M162T139-K142 PolarHBondContact O-N 3.21Å; I140-K142 PolarHBondContact O-N 3.1Å; K142-N146 WeakPolarHBondContact O-CB 3.37Å; K142-N146 PolarHBondContact O-N 2.97Å; K142-N146 PolarHBondContact O-ND2 3.38Å; K142-M162 HydrophobicContact CG-CE 4.07Å
143I92.8Very high94.5Very high90 Ų9053.7 Ų53.746%0.46229%0.289SS..Hα-helixtrans-66.5-49.7175.7-59.5177.2000109.2Y105 I140 A141 Y145 N146 L147Y105-I143 HydrophobicContact CE2-CG2 4.48Å; I140-I143 HydrophobicContact CG1-CD1 4.3Å; I140-I143 WeakPolarHBondContact O-CB 3.02Å; I140-I143 PolarHBondContact O-N 3.27Å; A141-I143 VanDerWaalsContact C-N 3.28Å; A141-I143 PolarHBondContact O-N 3Å; I143-Y145 VanDerWaalsContact C-N 3.33Å; I143-Y145 PolarHBondContact O-N 3.35Å; I143-N146 PolarHBondContact O-N 2.8Å; I143-L147 HydrophobicContact CG2-CD1 4.28Å; I143-L147 WeakPolarHBondContact O-CG 3.5Å; I143-L147 PolarHBondContact O-N 3.37Å
144A94.2Very high94.4Very high10 Ų1057.5 Ų57.58%0.08332%0.316CS..Hα-helixtrans-59.1-43.4177.700000112.3M100 Y105 I140 A141 N146 L147 L148M100-A144 HydrophobicContact CE-CB 3.43Å; M100-A144 VanDerWaalsContact CE-CB 3.43Å; Y105-A144 HydrophobicContact CD1-CB 4.01Å; Y105-A144 HydrophobicContact CG-CB 4Å; I140-A144 PolarHBondContact O-N 2.88Å; A141-A144 PolarHBondContact O-N 2.57Å; A144-N146 PolarHBondContact O-N 3.41Å; A144-L147 WeakPolarHBondContact O-CB 3.24Å; A144-L147 PolarHBondContact O-N 3.36Å; A144-L148 PolarHBondContact O-N 3.28Å; A144-L148 VanDerWaalsContact O-N 3.11Å
145Y95.3Very high94.3Very high51 Ų5163.1 Ų63.120%0.234%0.341CS..Hα-helixtrans-60.6-45.6176.1-178.9-111.1000112.1A141 I143 L147 L148 L149 L152 I160 M162A141-Y145 WeakPolarHBondContact O-CB 3.43Å; A141-Y145 PolarHBondContact O-N 3.02Å; I143-Y145 VanDerWaalsContact C-N 3.33Å; I143-Y145 PolarHBondContact O-N 3.35Å; Y145-L147 VanDerWaalsContact C-N 3.25Å; Y145-L147 PolarHBondContact O-N 3.41Å; Y145-L148 WeakPolarHBondContact O-CA 3.48Å; Y145-L148 WeakPolarHBondContact O-CB 3.42Å; Y145-L148 PolarHBondContact O-N 3.31Å; Y145-L149 HydrophobicContact CD1-CD2 4.45Å; Y145-L149 HydrophobicContact CD1-CG 4.49Å; Y145-L149 HydrophobicContact CE1-CD2 3.71Å; Y145-L149 HydrophobicContact CE1-CG 4.21Å; Y145-L149 HydrophobicContact CE2-CD2 4.4Å; Y145-L149 PolarHBondContact O-N 3.19Å; Y145-L152 HydrophobicContact CE2-CD1 3.91Å; Y145-I160 HydrophobicContact CE2-CD1 4.01Å; Y145-I160 HydrophobicContact CE2-CG2 3.96Å; Y145-M162 HydrophobicContact CD1-CE 3.93Å; Y145-M162 HydrophobicContact CG-CE 3.83Å
146N94.7Very high94.3Very high99 Ų9963.6 Ų63.653%0.52934%0.344SS..Hα-helixtrans-62.8-32.2177.8-71.7-16.7000112.8K142 I143 A144 L148K142-N146 WeakPolarHBondContact O-CB 3.37Å; K142-N146 PolarHBondContact O-N 2.97Å; K142-N146 PolarHBondContact O-ND2 3.38Å; I143-N146 PolarHBondContact O-N 2.8Å; A144-N146 PolarHBondContact O-N 3.41Å; N146-L148 VanDerWaalsContact C-N 3.3Å
147L95Very high94.4Very high102 Ų10265.5 Ų65.553%0.53435%0.354SS..Hα-helixtrans-70.9-26.5173.2-67.2170.5000112.5Y105 I143 A144 Y145 P150Y105-L147 HydrophobicContact CD2-CD1 4Å; I143-L147 HydrophobicContact CG2-CD1 4.28Å; I143-L147 WeakPolarHBondContact O-CG 3.5Å; I143-L147 PolarHBondContact O-N 3.37Å; A144-L147 WeakPolarHBondContact O-CB 3.24Å; A144-L147 PolarHBondContact O-N 3.36Å; Y145-L147 VanDerWaalsContact C-N 3.25Å; Y145-L147 PolarHBondContact O-N 3.41Å; L147-P150 WeakPolarHBondContact O-CD 3.14Å
148L94.7Very high94.5Very high41 Ų4173.3 Ų73.322%0.21539%0.386CS..Hα-helixtrans-81.6-28.6178.4-107.3153000113.2Y114 L115 L118 A144 Y145 N146 P150 F151Y114-L148 HydrophobicContact CD1-CD1 4.36Å; Y114-L148 HydrophobicContact CD1-CD2 4.34Å; Y114-L148 HydrophobicContact CE1-CD1 4.06Å; Y114-L148 HydrophobicContact CE1-CD2 4.25Å; L115-L148 HydrophobicContact CD2-CD2 4Å; L118-L148 HydrophobicContact CD2-CD2 3.56Å; A144-L148 PolarHBondContact O-N 3.28Å; A144-L148 VanDerWaalsContact O-N 3.11Å; Y145-L148 WeakPolarHBondContact O-CA 3.48Å; Y145-L148 WeakPolarHBondContact O-CB 3.42Å; Y145-L148 PolarHBondContact O-N 3.31Å; N146-L148 VanDerWaalsContact C-N 3.3Å; L148-P150 VanDerWaalsContact C-N 3.35Å; L148-P150 VanDerWaalsContact O-N 3.17Å; L148-F151 WeakPolarHBondContact O-CB 3.47Å; L148-F151 PolarHBondContact O-N 2.97Å
149L96.4Very high94.7Very high54 Ų5473 Ų7328%0.28338%0.381SS..G310 helixtrans-46.1-45.1-176.6-76.3173.8000114.9Y145 F151 L152 E157Y145-L149 HydrophobicContact CD1-CD2 4.45Å; Y145-L149 HydrophobicContact CD1-CG 4.49Å; Y145-L149 HydrophobicContact CE1-CD2 3.71Å; Y145-L149 HydrophobicContact CE1-CG 4.21Å; Y145-L149 HydrophobicContact CE2-CD2 4.4Å; Y145-L149 PolarHBondContact O-N 3.19Å; L149-F151 PolarHBondContact O-N 3.44Å; L149-L152 HydrophobicContact CD2-CD1 4.3Å; L149-L152 PolarHBondContact O-N 3.01Å; L149-L152 VanDerWaalsContact O-N 3.12Å; L149-E157 HydrophobicContact CD2-CG 4.2Å
150P97.1Very high95.1Very high107 Ų10768.7 Ų68.770%0.69535%0.353SS*.G310 helixtrans-62.6-17.3-179-23.535.7000114.8L147 L148L147-P150 WeakPolarHBondContact O-CD 3.14Å; L148-P150 VanDerWaalsContact C-N 3.35Å; L148-P150 VanDerWaalsContact O-N 3.17Å
151F96.1Very high95.3Very high109 Ų10968.5 Ų68.548%0.47835%0.351SS..G310 helixtrans-100.6-9.1-178.4-54-81.9000112.7L115 L118 Q122 L148 L149L115-F151 HydrophobicContact CD1-CD1 4.49Å; L115-F151 HydrophobicContact CD1-CD2 4.46Å; L115-F151 HydrophobicContact CD1-CE1 4.2Å; L115-F151 HydrophobicContact CD1-CE2 4.17Å; L115-F151 HydrophobicContact CD1-CZ 4.03Å; L115-F151 HydrophobicContact CD2-CB 3.9Å; L115-F151 HydrophobicContact CD2-CD1 4.11Å; L115-F151 HydrophobicContact CD2-CD2 3.6Å; L115-F151 HydrophobicContact CD2-CE2 4.11Å; L115-F151 HydrophobicContact CD2-CG 3.59Å; L118-F151 HydrophobicContact CD2-CB 4.02Å; Q122-F151 PolarHBondContact NE2-O 3.11Å; L148-F151 WeakPolarHBondContact O-CB 3.47Å; L148-F151 PolarHBondContact O-N 2.97Å; L149-F151 PolarHBondContact O-N 3.44Å
152L96.4Very high95.3Very high24 Ų2470.5 Ų70.513%0.12636%0.361CS..SBendtrans-83.8135178.6-66174.4000110.5L118 Y145 L149 T156 E157 I160L118-L152 HydrophobicContact CD1-CD2 3.74Å; L118-L152 HydrophobicContact CD2-CD2 3.7Å; L118-L152 HydrophobicContact CD2-CG 4.42Å; L118-L152 HydrophobicContact CG-CD2 4.32Å; Y145-L152 HydrophobicContact CE2-CD1 3.91Å; L149-L152 HydrophobicContact CD2-CD1 4.3Å; L149-L152 PolarHBondContact O-N 3.01Å; L149-L152 VanDerWaalsContact O-N 3.12Å; L152-T156 HydrophobicContact CD2-CG2 3.89Å; L152-E157 HydrophobicContact CB-CB 4.38Å; L152-I160 HydrophobicContact CD1-CD1 3.85Å; L152-I160 HydrophobicContact CD2-CD1 4.23Å
153S96.1Very high94.8Very high46 Ų4666.8 Ų66.832%0.32235%0.349SS..  trans-69151.7164.483.90000109.4E155 T156 E157S153-E155 PolarHBondContact O-N 3.28Å; S153-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 PolarHBondContact OG-N 3.12Å; S153-T156 PolarHBondContact O-N 3.03Å; S153-T156 VanDerWaalsContact O-N 3.14Å; S153-T156 PolarHBondContact OG-N 3.1Å; S153-T156 PolarHBondContact OG-OG1 2.83Å; S153-E157 WeakPolarHBondContact O-CB 3.41Å; S153-E157 PolarHBondContact O-N 3.34Å
154S95.7Very high93.9Very high82 Ų8264.3 Ų64.357%0.57334%0.339SS*.Hα-helixtrans-61.8-21.1175.8-53.50000113.2K158S154-K158 VanDerWaalsContact O-CD 3.27Å; S154-K158 WeakPolarHBondContact O-CD 3.47Å; S154-K158 WeakPolarHBondContact O-CG 3.48Å
155E95.1Very high93.3Very high129 Ų12970.7 Ų70.760%0.60337%0.372SS*.Hα-helixtrans-75.7-48.5174-174160.5176.300110.7S153 K158 L159S153-E155 PolarHBondContact O-N 3.28Å; S153-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 PolarHBondContact OG-N 3.12Å; E155-K158 PolarHBondContact O-N 3.28Å; E155-L159 WeakPolarHBondContact O-CG 3.45Å; E155-L159 PolarHBondContact O-N 2.76Å
156T96.1Very high92.9Very high9 Ų971.8 Ų71.86%0.05538%0.384CS..Hα-helixtrans-62.2-45177-52.10000111.8F121 Q122 I132 L152 S153 K158 L159 I160F121-T156 HydrophobicContact CE1-CG2 4.2Å; Q122-T156 WeakPolarHBondContact CG-OG1 3.25Å; Q122-T156 VanDerWaalsContact OE1-CB 3.29Å; Q122-T156 PolarHBondContact OE1-OG1 2.67Å; I132-T156 HydrophobicContact CD1-CG2 4.48Å; L152-T156 HydrophobicContact CD2-CG2 3.89Å; S153-T156 PolarHBondContact O-N 3.03Å; S153-T156 VanDerWaalsContact O-N 3.14Å; S153-T156 PolarHBondContact OG-N 3.1Å; S153-T156 PolarHBondContact OG-OG1 2.83Å; T156-K158 VanDerWaalsContact C-N 3.26Å; T156-K158 PolarHBondContact O-N 3.29Å; T156-L159 WeakPolarHBondContact O-CB 3.49Å; T156-L159 PolarHBondContact O-N 2.94Å; T156-I160 HydrophobicContact CG2-CD1 4.45Å
157E96.4Very high92.9Very high82 Ų8268.4 Ų68.438%0.38336%0.364SS..Hα-helixtrans-55.6-42.3179.4-171.3-169.3168.100111.4L149 L152 S153 L159 I160L149-E157 HydrophobicContact CD2-CG 4.2Å; L152-E157 HydrophobicContact CB-CB 4.38Å; S153-E157 WeakPolarHBondContact O-CB 3.41Å; S153-E157 PolarHBondContact O-N 3.34Å; E157-L159 PolarHBondContact O-N 3.23Å; E157-I160 PolarHBondContact O-N 3.09Å; E157-I160 VanDerWaalsContact O-N 3.12Å
158K96.7Very high92.8Very high175 Ų17568.2 Ų68.276%0.76136%0.359SS*.Hα-helixtrans-67.6-20.5179.1-73.2171.7-170.31740114S154 E155 T156 I160S154-K158 VanDerWaalsContact O-CD 3.27Å; S154-K158 WeakPolarHBondContact O-CD 3.47Å; S154-K158 WeakPolarHBondContact O-CG 3.48Å; E155-K158 PolarHBondContact O-N 3.28Å; T156-K158 VanDerWaalsContact C-N 3.26Å; T156-K158 PolarHBondContact O-N 3.29Å; K158-I160 VanDerWaalsContact C-N 3.34Å
159L96.5Very high92.7Very high35 Ų3571.6 Ų71.618%0.18337%0.374CS..Hα-helixtrans-78.5-22.7175.6-60.2175.8000111.8F129 K130 K131 I132 E155 T156 E157F129-L159 HydrophobicContact CB-CD1 4.23Å; K130-L159 WeakPolarHBondContact O-CD2 3.49Å; K131-L159 WeakPolarHBondContact CG-O 3.33Å; I132-L159 HydrophobicContact CD1-CB 4.34Å; I132-L159 HydrophobicContact CG1-CB 4.16Å; I132-L159 PolarHBondContact N-O 3.36Å; E155-L159 WeakPolarHBondContact O-CG 3.45Å; E155-L159 PolarHBondContact O-N 2.76Å; T156-L159 WeakPolarHBondContact O-CB 3.49Å; T156-L159 PolarHBondContact O-N 2.94Å; E157-L159 PolarHBondContact O-N 3.23Å
160I96.4Very high92.5Very high37 Ų3769.2 Ų69.219%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-83.5122.2-171.7-61.1169.2000110.3I132 V134 Y145 L152 T156 E157 K158I132-I160 HydrophobicContact CB-CG1 4.08Å; I132-I160 HydrophobicContact CD1-CG1 4.07Å; I132-I160 HydrophobicContact CG2-CG1 4.29Å; I132-I160 CarbonylContact O-C 3.59Å; I132-I160 WeakPolarHBondContact O-CA 3.47Å; V134-I160 HydrophobicContact CG2-CG2 4.24Å; Y145-I160 HydrophobicContact CE2-CD1 4.01Å; Y145-I160 HydrophobicContact CE2-CG2 3.96Å; L152-I160 HydrophobicContact CD1-CD1 3.85Å; L152-I160 HydrophobicContact CD2-CD1 4.23Å; T156-I160 HydrophobicContact CG2-CD1 4.45Å; E157-I160 PolarHBondContact O-N 3.09Å; E157-I160 VanDerWaalsContact O-N 3.12Å; K158-I160 VanDerWaalsContact C-N 3.34Å
161E95.2Very high92.4Very high44 Ų4464.1 Ų64.121%0.20633%0.328CS..EExtended strand (participates in β ladder)trans-117.2121.4168.3-171.9179.2152.300109.8K131 I132 V134 S163 S170K131-E161 WeakPolarHBondContact CE-OE2 3.3Å; K131-E161 IonicContact NZ-OE2 2.92Å; K131-E161 PolarHBondContact NZ-OE2 3.43Å; I132-E161 PolarHBondContact O-N 3.36Å; V134-E161 PolarHBondContact N-O 3.2Å; E161-S163 PolarHBondContact OE1-OG 3.38Å; E161-S170 WeakPolarHBondContact OE1-CB 3.43Å; E161-S170 PolarHBondContact OE1-OG 3.1Å; E161-S170 PolarHBondContact OE2-OG 3Å
162M93.1Very high92.4Very high46 Ų4661 Ų6123%0.22731%0.314CS..EExtended strand (participates in β ladder)trans-126.892.7177.4-176.4173.857.400109.9V134 A137 A141 K142 Y145V134-M162 HydrophobicContact CB-CB 3.94Å; V134-M162 HydrophobicContact CB-CG 3.9Å; V134-M162 HydrophobicContact CG1-CB 4.48Å; V134-M162 HydrophobicContact CG1-CG 3.91Å; V134-M162 HydrophobicContact CG1-SD 4.09Å; V134-M162 HydrophobicContact CG2-CB 4.36Å; A137-M162 HydrophobicContact CB-CG 3.87Å; A137-M162 HydrophobicContact CB-SD 3.89Å; A141-M162 HydrophobicContact CB-SD 4.38Å; K142-M162 HydrophobicContact CG-CE 4.07Å; Y145-M162 HydrophobicContact CD1-CE 3.93Å; Y145-M162 HydrophobicContact CG-CE 3.83Å
163S81.3Confident92.4Very high31 Ų3165.9 Ų65.922%0.21734%0.337CS..  trans-10798.4-179.3-63.20000109.1E161 D165 W167E161-S163 PolarHBondContact OE1-OG 3.38Å; S163-D165 PolarHBondContact O-N 3.44Å; S163-W167 VanDerWaalsContact O-CB 3.31Å; S163-W167 WeakPolarHBondContact O-CB 3.47Å; S163-W167 PolarHBondContact O-N 2.89Å
164S73.3Confident92.4Very high37 Ų3766 Ų6626%0.25933%0.332SS..SBendtrans-58.2-46.6-169.360.30000113.4
165D81.1Confident92.4Very high144 Ų14462 Ų6277%0.7731%0.305SS*.SBendtrans-101.7-18.4-168.3-55-4000112.4S163S163-D165 PolarHBondContact O-N 3.44Å
166T88.7Confident92.6Very high75 Ų7558.7 Ų58.746%0.4629%0.291SS..  trans-120.828.5-175.1600000112.7K168 E169 S170T166-K168 PolarHBondContact O-N 3.43Å; T166-E169 WeakPolarHBondContact CA-OE2 3.44Å; T166-E169 WeakPolarHBondContact CB-OE2 3.24Å; T166-E169 PolarHBondContact O-N 2.72Å; T166-E169 VanDerWaalsContact O-OE2 3.1Å; T166-S170 PolarHBondContact O-N 2.85Å
167W93Very high92.6Very high27 Ų2760 Ų6010%0.10230%0.3CS..Hα-helixtrans-63.9-29-178.865.2-94.9000112.3I135 K136 S163 S170 L171 W184I135-W167 HydrophobicContact CB-CB 4.16Å; I135-W167 HydrophobicContact CB-CD2 3.77Å; I135-W167 HydrophobicContact CB-CE3 3.64Å; I135-W167 HydrophobicContact CB-CG 4.01Å; I135-W167 HydrophobicContact CB-CZ3 4.27Å; I135-W167 HydrophobicContact CD1-CE3 4.33Å; I135-W167 HydrophobicContact CD1-CZ3 4.1Å; I135-W167 HydrophobicContact CG2-CB 4.09Å; I135-W167 HydrophobicContact CG2-CD2 4.07Å; I135-W167 HydrophobicContact CG2-CE3 3.56Å; I135-W167 HydrophobicContact CG2-CG 4.33Å; I135-W167 HydrophobicContact CG2-CZ3 4.3Å; K136-W167 HydrophobicContact CD-CZ2 4.2Å; K136-W167 HydrophobicContact CG-CZ2 3.75Å; S163-W167 VanDerWaalsContact O-CB 3.31Å; S163-W167 WeakPolarHBondContact O-CB 3.47Å; S163-W167 PolarHBondContact O-N 2.89Å; W167-S170 PolarHBondContact O-N 2.72Å; W167-L171 HydrophobicContact CE3-CB 4.49Å; W167-L171 HydrophobicContact CE3-CD1 4.4Å; W167-L171 HydrophobicContact CZ3-CD1 4.33Å; W167-L171 WeakPolarHBondContact O-CB 3.18Å; W167-L171 PolarHBondContact O-N 2.79Å; W167-W184 HydrophobicContact CH2-CB 4.38Å; W167-W184 VanDerWaalsContact CH2-O 3.28Å; W167-W184 WeakPolarHBondContact CH2-O 3.19Å
168K94.6Very high92.7Very high98 Ų9860.7 Ų60.743%0.42631%0.306SS..Hα-helixtrans-66.8-45.6178.3-73-175.5178.1-1780111.1T166 S170 L171 F172T166-K168 PolarHBondContact O-N 3.43Å; K168-S170 VanDerWaalsContact C-N 3.3Å; K168-S170 PolarHBondContact O-N 3.35Å; K168-L171 PolarHBondContact O-N 3.47Å; K168-F172 HydrophobicContact CB-CD2 4.24Å; K168-F172 HydrophobicContact CB-CE2 4.15Å; K168-F172 HydrophobicContact CG-CE2 4.43Å; K168-F172 WeakPolarHBondContact O-CD2 3.16Å; K168-F172 PolarHBondContact O-N 3.34Å
169E92.7Very high92.8Very high113 Ų11355.7 Ų55.753%0.52829%0.285SS..Hα-helixtrans-60-44.2177-6678.9-177.400110.5T166 Q173T166-E169 WeakPolarHBondContact CA-OE2 3.44Å; T166-E169 WeakPolarHBondContact CB-OE2 3.24Å; T166-E169 PolarHBondContact O-N 2.72Å; T166-E169 VanDerWaalsContact O-OE2 3.1Å; E169-Q173 VanDerWaalsContact O-CG 3.28Å; E169-Q173 WeakPolarHBondContact O-CG 3.41Å; E169-Q173 PolarHBondContact O-N 3.07Å
170S90.9Very high92.8Very high3 Ų354 Ų542%0.02128%0.276CS..Hα-helixtrans-60.2-51173.7179.90000111.8E161 T166 W167 K168 F172 Q173 H174E161-S170 WeakPolarHBondContact OE1-CB 3.43Å; E161-S170 PolarHBondContact OE1-OG 3.1Å; E161-S170 PolarHBondContact OE2-OG 3Å; T166-S170 PolarHBondContact O-N 2.85Å; W167-S170 PolarHBondContact O-N 2.72Å; K168-S170 VanDerWaalsContact C-N 3.3Å; K168-S170 PolarHBondContact O-N 3.35Å; S170-F172 PolarHBondContact O-N 2.96Å; S170-Q173 WeakPolarHBondContact O-CB 3.4Å; S170-Q173 PolarHBondContact O-N 2.79Å; S170-H174 PolarHBondContact O-CD2 2.81Å
171L95.4Very high92.9Very high0 Ų052.2 Ų52.20%027%0.267CS..Hα-helixtrans-59.2-46.3-177.6-173.7135.8000111.8I94 I135 W167 K168 Q173 H174 I175 W180I94-L171 HydrophobicContact CD1-CD1 4.26Å; I94-L171 HydrophobicContact CG2-CD1 4.12Å; I135-L171 HydrophobicContact CG2-CD1 3.98Å; W167-L171 HydrophobicContact CE3-CB 4.49Å; W167-L171 HydrophobicContact CE3-CD1 4.4Å; W167-L171 HydrophobicContact CZ3-CD1 4.33Å; W167-L171 WeakPolarHBondContact O-CB 3.18Å; W167-L171 PolarHBondContact O-N 2.79Å; K168-L171 PolarHBondContact O-N 3.47Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 2.69Å; L171-H174 PolarHBondContact O-N 3.01Å; L171-H174 VanDerWaalsContact O-N 3.11Å; L171-I175 HydrophobicContact CD1-CD1 4.26Å; L171-I175 HydrophobicContact CD2-CB 4.34Å; L171-I175 HydrophobicContact CD2-CD1 4.06Å; L171-I175 HydrophobicContact CG-CD1 3.79Å; L171-I175 PolarHBondContact O-N 3.21Å; L171-W180 HydrophobicContact CD1-CD2 4.42Å; L171-W180 HydrophobicContact CD1-CZ2 3.82Å; L171-W180 HydrophobicContact CD2-CD2 4.13Å; L171-W180 HydrophobicContact CD2-CG 3.89Å
172F96.3Very high93.1Very high43 Ų4351.3 Ų51.319%0.18927%0.267CS..Hα-helixtrans-80.2-7.8-176.6-64.4-55.2000115.2R35 K168 S170 I175 P177 W180 G185R35-F172 PolarHBondContact NE-O 2.96Å; R35-F172 PolarHBondContact NH2-O 2.92Å; K168-F172 HydrophobicContact CB-CD2 4.24Å; K168-F172 HydrophobicContact CB-CE2 4.15Å; K168-F172 HydrophobicContact CG-CE2 4.43Å; K168-F172 WeakPolarHBondContact O-CD2 3.16Å; K168-F172 PolarHBondContact O-N 3.34Å; S170-F172 PolarHBondContact O-N 2.96Å; F172-I175 WeakPolarHBondContact CA-O 3.46Å; F172-P177 HydrophobicContact CD1-CB 4.48Å; F172-P177 HydrophobicContact CD1-CG 3.92Å; F172-P177 HydrophobicContact CE1-CB 4.27Å; F172-P177 HydrophobicContact CE1-CG 4.19Å; F172-W180 HydrophobicContact CE1-CB 4.17Å; F172-W180 HydrophobicContact CE1-CG 4.39Å; F172-G185 VanDerWaalsContact CZ-C 3.49Å; F172-G185 WeakPolarHBondContact CZ-O 3.41Å
173Q95.2Very high93.2Very high128 Ų12854.3 Ų54.360%0.59828%0.276SS*.Hα-helixtrans-63.8-34.8162.2-75.4168.51600111.2E169 S170 L171E169-Q173 VanDerWaalsContact O-CG 3.28Å; E169-Q173 WeakPolarHBondContact O-CG 3.41Å; E169-Q173 PolarHBondContact O-N 3.07Å; S170-Q173 WeakPolarHBondContact O-CB 3.4Å; S170-Q173 PolarHBondContact O-N 2.79Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 2.69Å
174H95.9Very high93.9Very high47 Ų4753 Ų5322%0.21827%0.267CS..Hα-helixtrans-100.4-30-176.7-56.6-70.3000112.8D34 R35 L92 K131 S170 L171D34-H174 WeakPolarHBondContact CB-O 3.28Å; R35-H174 WeakPolarHBondContact CB-O 3.45Å; R35-H174 VanDerWaalsContact CG-O 3.27Å; R35-H174 WeakPolarHBondContact CG-O 3.2Å; R35-H174 PolarHBondContact N-O 3.39Å; L92-H174 HydrophobicContact CD2-CB 4.06Å; K131-H174 PolarHBondContact NZ-NE2 2.91Å; S170-H174 PolarHBondContact O-CD2 2.81Å; L171-H174 PolarHBondContact O-N 3.01Å; L171-H174 VanDerWaalsContact O-N 3.11Å
175I97.6Very high95Very high0 Ų052.8 Ų52.80%027%0.27CS..SBendtrans-115.4137.4-170.7-56.5169.3000110.1D34 R35 I40 L92 I94 L171 F172 Q179 W180D34-I175 HydrophobicContact CB-CG1 4.29Å; R35-I175 PolarHBondContact NH2-O 2.88Å; I40-I175 HydrophobicContact CD1-CD1 3.68Å; I40-I175 HydrophobicContact CD1-CG1 3.85Å; I40-I175 HydrophobicContact CD1-CG2 3.8Å; I40-I175 HydrophobicContact CG1-CD1 4.27Å; L92-I175 HydrophobicContact CD2-CD1 3.63Å; L92-I175 HydrophobicContact CD2-CG1 3.6Å; I94-I175 HydrophobicContact CD1-CD1 4.03Å; I94-I175 HydrophobicContact CG1-CD1 4.29Å; L171-I175 HydrophobicContact CD1-CD1 4.26Å; L171-I175 HydrophobicContact CD2-CB 4.34Å; L171-I175 HydrophobicContact CD2-CD1 4.06Å; L171-I175 HydrophobicContact CG-CD1 3.79Å; L171-I175 PolarHBondContact O-N 3.21Å; F172-I175 WeakPolarHBondContact CA-O 3.46Å; I175-Q179 HydrophobicContact CG2-CB 4.17Å; I175-W180 HydrophobicContact CD1-CE3 4.16Å; I175-W180 HydrophobicContact CD1-CZ3 4.45Å; I175-W180 HydrophobicContact CG2-CB 3.98Å
176D97.7Very high95.8Very high58 Ų5846.3 Ų46.331%0.3124%0.237SC..  trans-74133168.1-162.2-70.3000110R35 D178 Q179R35-D176 IonicContact CZ-OD2 3.56Å; R35-D176 IonicContact NH1-OD2 3.5Å; R35-D176 PolarHBondContact NH1-OD2 2.76Å; R35-D176 VanDerWaalsContact NH1-OD2 3.09Å; D176-D178 PolarHBondContact O-N 3.07Å; D176-D178 PolarHBondContact OD1-N 3.38Å; D176-D178 VanDerWaalsContact OD1-N 3.09Å; D176-Q179 HydrophobicContact CB-CG 4.27Å; D176-Q179 WeakPolarHBondContact O-CA 3.3Å; D176-Q179 WeakPolarHBondContact O-CB 3.4Å; D176-Q179 PolarHBondContact O-N 3.08Å
177P97.7Very high96.2Very high38 Ų3847.3 Ų47.325%0.24724%0.24CC..G310 helixtrans-49.7-33.8178.2-30.436.9000114.5F172 Q179 W180 G186 N187F172-P177 HydrophobicContact CD1-CB 4.48Å; F172-P177 HydrophobicContact CD1-CG 3.92Å; F172-P177 HydrophobicContact CE1-CB 4.27Å; F172-P177 HydrophobicContact CE1-CG 4.19Å; P177-Q179 PolarHBondContact O-N 3.5Å; P177-W180 PolarHBondContact O-N 2.66Å; P177-W180 VanDerWaalsContact O-N 3.17Å; P177-G186 CarbonylContact O-C 3.54Å; P177-G186 WeakPolarHBondContact O-CA 3.23Å; P177-N187 PolarHBondContact O-N 2.84Å
178D97.6Very high96.5Very high96 Ų9647.1 Ų47.151%0.51324%0.24SC..G310 helixtrans-72-13.8178.8-65.4-14.5000113.3D176 N187 M188D176-D178 PolarHBondContact O-N 3.07Å; D176-D178 PolarHBondContact OD1-N 3.38Å; D176-D178 VanDerWaalsContact OD1-N 3.09Å; D178-N187 VanDerWaalsContact OD1-CB 3.29Å; D178-N187 WeakPolarHBondContact OD1-CB 3.49Å; D178-N187 PolarHBondContact OD1-ND2 2.71Å; D178-M188 WeakPolarHBondContact O-CE 3.37Å
179Q97.8Very high96.6Very high69 Ų6945.7 Ų45.732%0.32224%0.24SC..G310 helixtrans-97.35.1174.6-63.8-58.3-65.400113.3T33 I175 D176 P177 M188T33-Q179 WeakPolarHBondContact O-CB 3.48Å; T33-Q179 WeakPolarHBondContact O-CG 3.31Å; I175-Q179 HydrophobicContact CG2-CB 4.17Å; D176-Q179 HydrophobicContact CB-CG 4.27Å; D176-Q179 WeakPolarHBondContact O-CA 3.3Å; D176-Q179 WeakPolarHBondContact O-CB 3.4Å; D176-Q179 PolarHBondContact O-N 3.08Å; P177-Q179 PolarHBondContact O-N 3.5Å; Q179-M188 VanDerWaalsContact CA-CE 3.48Å; Q179-M188 WeakPolarHBondContact O-CE 3.48Å
180W98.2Very high96.9Very high0 Ų041 Ų410%022%0.219CC..SBendtrans-128.3141.1-178-163.2-115.6000111.8P31 I40 F42 I94 I135 L171 F172 I175 P177 W184 G186 N187 M188P31-W180 HydrophobicContact CG-CE3 3.98Å; P31-W180 HydrophobicContact CG-CH2 4.39Å; P31-W180 HydrophobicContact CG-CZ3 3.52Å; I40-W180 HydrophobicContact CD1-CE3 4.12Å; I40-W180 HydrophobicContact CD1-CZ3 4.33Å; I40-W180 HydrophobicContact CG2-CH2 4.41Å; I40-W180 HydrophobicContact CG2-CZ3 3.67Å; F42-W180 HydrophobicContact CB-CH2 4.3Å; F42-W180 HydrophobicContact CD1-CH2 4.13Å; F42-W180 AromaticContact CD2-CH2 3.74Å; F42-W180 HydrophobicContact CD2-CH2 3.74Å; F42-W180 HydrophobicContact CD2-CZ2 4.34Å; F42-W180 HydrophobicContact CE1-CH2 4.37Å; F42-W180 HydrophobicContact CE1-CZ2 4.49Å; F42-W180 AromaticContact CE2-CH2 4Å; F42-W180 HydrophobicContact CE2-CH2 4Å; F42-W180 HydrophobicContact CE2-CZ2 4.13Å; F42-W180 AromaticContact CG-CH2 3.81Å; F42-W180 HydrophobicContact CG-CH2 3.81Å; F42-W180 HydrophobicContact CZ-CH2 4.32Å; F42-W180 HydrophobicContact CZ-CZ2 4.22Å; I94-W180 HydrophobicContact CB-CH2 3.94Å; I94-W180 HydrophobicContact CG1-CH2 3.89Å; I94-W180 HydrophobicContact CG1-CZ3 4.21Å; I94-W180 HydrophobicContact CG2-CH2 3.84Å; I94-W180 HydrophobicContact CG2-CZ2 4.02Å; I135-W180 HydrophobicContact CD1-CZ2 4.41Å; L171-W180 HydrophobicContact CD1-CD2 4.42Å; L171-W180 HydrophobicContact CD1-CZ2 3.82Å; L171-W180 HydrophobicContact CD2-CD2 4.13Å; L171-W180 HydrophobicContact CD2-CG 3.89Å; F172-W180 HydrophobicContact CE1-CB 4.17Å; F172-W180 HydrophobicContact CE1-CG 4.39Å; I175-W180 HydrophobicContact CD1-CE3 4.16Å; I175-W180 HydrophobicContact CD1-CZ3 4.45Å; I175-W180 HydrophobicContact CG2-CB 3.98Å; P177-W180 PolarHBondContact O-N 2.66Å; P177-W180 VanDerWaalsContact O-N 3.17Å; W180-W184 HydrophobicContact CZ2-CB 4.31Å; W180-W184 PolarHBondContact NE1-O 3.24Å; W180-G186 WeakPolarHBondContact O-CA 3.39Å; W180-N187 PolarHBondContact O-N 2.59Å; W180-M188 WeakPolarHBondContact O-CB 3.11Å; W180-M188 PolarHBondContact O-N 3.28Å
181P98.4Very high97.1Very high0 Ų050.6 Ų50.60%026%0.263CS..BIsolated β-bridgetrans-65.3144.1-176.3-11.323.2000113P31 Y183 W184 G185 G186 M188 E195 C197 I201P31-P181 HydrophobicContact CB-CG 4.14Å; P181-Y183 VanDerWaalsContact C-N 3.26Å; P181-Y183 PolarHBondContact O-N 3.35Å; P181-W184 HydrophobicContact CB-CE3 3.66Å; P181-W184 HydrophobicContact CB-CZ3 3.94Å; P181-W184 HydrophobicContact CG-CE3 3.68Å; P181-W184 HydrophobicContact CG-CZ3 3.9Å; P181-W184 CarbonylContact O-C 3.55Å; P181-W184 PolarHBondContact O-N 2.91Å; P181-W184 VanDerWaalsContact O-N 3.08Å; P181-G185 PolarHBondContact O-N 3.47Å; P181-G186 PolarHBondContact O-N 3.11Å; P181-M188 WeakPolarHBondContact CA-O 3.31Å; P181-E195 VanDerWaalsContact CB-O 3.28Å; P181-E195 WeakPolarHBondContact CB-O 3.47Å; P181-C197 HydrophobicContact CB-CB 4.46Å; P181-I201 HydrophobicContact CG-CD1 3.49Å; P181-I201 VanDerWaalsContact CG-CD1 3.49Å
182A98.2Very high97.1Very high24 Ų2456.6 Ų56.620%0.19830%0.295CS..G310 helixtrans-61.2-33.1-177.400000113W184 G185 G186 M188 T189 E195A182-W184 PolarHBondContact O-N 3Å; A182-G185 WeakPolarHBondContact O-CA 3.45Å; A182-G185 PolarHBondContact O-N 2.87Å; A182-G186 WeakPolarHBondContact CA-O 3.46Å; A182-M188 PolarHBondContact N-O 3.37Å; A182-T189 HydrophobicContact CB-CG2 4.04Å; A182-E195 HydrophobicContact CB-CB 3.87Å; A182-E195 HydrophobicContact CB-CG 3.91Å; A182-E195 PolarHBondContact N-O 3.11Å
183Y96.5Very high97.2Very high109 Ų10956.7 Ų56.743%0.42731%0.308SS..G310 helixtrans-59.6-33.1176.2-177.5-97.3000112.6P181 G185 E195 K196P181-Y183 VanDerWaalsContact C-N 3.26Å; P181-Y183 PolarHBondContact O-N 3.35Å; Y183-G185 VanDerWaalsContact C-N 3.34Å; Y183-E195 WeakPolarHBondContact CB-O 3.3Å; Y183-E195 PolarHBondContact N-O 3.5Å; Y183-K196 HydrophobicContact CD1-CG 4.06Å; Y183-K196 HydrophobicContact CD2-CD 4.31Å; Y183-K196 HydrophobicContact CD2-CG 3.86Å; Y183-K196 VanDerWaalsContact CE2-CE 3.42Å; Y183-K196 HydrophobicContact CG-CD 4.44Å; Y183-K196 HydrophobicContact CG-CG 3.59Å
184W95.9Very high97.3Very high5 Ų553.4 Ų53.42%0.01930%0.295CS..G310 helixtrans-97.421174.6-66.3-85.9000112.7F42 L44 D96 W167 W180 P181 A182 I201F42-W184 AromaticContact CE1-CD2 3.95Å; F42-W184 HydrophobicContact CE1-CD2 3.95Å; F42-W184 AromaticContact CE1-CE2 3.67Å; F42-W184 HydrophobicContact CE1-CE3 4.04Å; F42-W184 AromaticContact CE1-CH2 3.74Å; F42-W184 HydrophobicContact CE1-CH2 3.74Å; F42-W184 AromaticContact CE1-CZ2 3.57Å; F42-W184 HydrophobicContact CE1-CZ2 3.57Å; F42-W184 AromaticContact CE1-CZ3 3.96Å; F42-W184 HydrophobicContact CE1-CZ3 3.96Å; F42-W184 AromaticContact CZ-CD2 3.99Å; F42-W184 HydrophobicContact CZ-CD2 3.99Å; F42-W184 AromaticContact CZ-CE2 3.57Å; F42-W184 HydrophobicContact CZ-CG 4.41Å; F42-W184 HydrophobicContact CZ-CH2 4.45Å; F42-W184 AromaticContact CZ-CZ2 3.84Å; F42-W184 HydrophobicContact CZ-CZ2 3.84Å; F42-W184 AromaticContact CZ-NE1 3.65Å; L44-W184 HydrophobicContact CD2-CH2 4.16Å; L44-W184 HydrophobicContact CD2-CZ2 3.67Å; L44-W184 HydrophobicContact CG-CZ2 4.48Å; D96-W184 PolarHBondContact OD2-NE1 3.38Å; W167-W184 HydrophobicContact CH2-CB 4.38Å; W167-W184 VanDerWaalsContact CH2-O 3.28Å; W167-W184 WeakPolarHBondContact CH2-O 3.19Å; W180-W184 HydrophobicContact CZ2-CB 4.31Å; W180-W184 PolarHBondContact NE1-O 3.24Å; P181-W184 HydrophobicContact CB-CE3 3.66Å; P181-W184 HydrophobicContact CB-CZ3 3.94Å; P181-W184 HydrophobicContact CG-CE3 3.68Å; P181-W184 HydrophobicContact CG-CZ3 3.9Å; P181-W184 CarbonylContact O-C 3.55Å; P181-W184 PolarHBondContact O-N 2.91Å; P181-W184 VanDerWaalsContact O-N 3.08Å; A182-W184 PolarHBondContact O-N 3Å; W184-I201 HydrophobicContact CE3-CD1 4.41Å; W184-I201 HydrophobicContact CH2-CD1 4.18Å; W184-I201 HydrophobicContact CH2-CG2 4.26Å; W184-I201 HydrophobicContact CZ3-CD1 3.62Å
185G95.5Very high97.4Very high31 Ų3156.2 Ų56.232%0.3231%0.308SS..THydrogen-bonded Turntrans89.36.5171.200000115.9F172 P181 A182 Y183F172-G185 VanDerWaalsContact CZ-C 3.49Å; F172-G185 WeakPolarHBondContact CZ-O 3.41Å; P181-G185 PolarHBondContact O-N 3.47Å; A182-G185 WeakPolarHBondContact O-CA 3.45Å; A182-G185 PolarHBondContact O-N 2.87Å; Y183-G185 VanDerWaalsContact C-N 3.34Å
186G97.5Very high97.4Very high8 Ų859.6 Ų59.68%0.08232%0.323CS..SBendtrans-83-152.7169.500000112.1P177 W180 P181 A182P177-G186 CarbonylContact O-C 3.54Å; P177-G186 WeakPolarHBondContact O-CA 3.23Å; W180-G186 WeakPolarHBondContact O-CA 3.39Å; P181-G186 PolarHBondContact O-N 3.11Å; A182-G186 WeakPolarHBondContact CA-O 3.46Å
187N98.1Very high97.4Very high97 Ų9756.9 Ų56.952%0.51931%0.308SS..SBendtrans-124.6-8178.1-62.8-27.9000113P177 D178 W180 T189P177-N187 PolarHBondContact O-N 2.84Å; D178-N187 VanDerWaalsContact OD1-CB 3.29Å; D178-N187 WeakPolarHBondContact OD1-CB 3.49Å; D178-N187 PolarHBondContact OD1-ND2 2.71Å; W180-N187 PolarHBondContact O-N 2.59Å; N187-T189 PolarHBondContact O-N 2.82Å
188M98.2Very high97.3Very high22 Ų2258 Ų5811%0.10832%0.315CS..BIsolated β-bridgetrans-69.8134-177.6-173.4-172-64.100110.6P31 D178 Q179 W180 P181 A182 K200P31-M188 WeakPolarHBondContact O-CE 3.47Å; D178-M188 WeakPolarHBondContact O-CE 3.37Å; Q179-M188 VanDerWaalsContact CA-CE 3.48Å; Q179-M188 WeakPolarHBondContact O-CE 3.48Å; W180-M188 WeakPolarHBondContact O-CB 3.11Å; W180-M188 PolarHBondContact O-N 3.28Å; P181-M188 WeakPolarHBondContact CA-O 3.31Å; A182-M188 PolarHBondContact N-O 3.37Å; M188-K200 HydrophobicContact SD-CD 4.27Å
189T98.1Very high97.2Very high69 Ų6959.5 Ų59.542%0.42332%0.324SS..  trans-134.6154.7171.757.50000108.4A182 N187 D194 E195A182-T189 HydrophobicContact CB-CG2 4.04Å; N187-T189 PolarHBondContact O-N 2.82Å; T189-D194 WeakPolarHBondContact CA-O 3.15Å; T189-E195 HydrophobicContact CG2-CG 4.18Å
190D97.1Very high97.2Very high15 Ų1560.9 Ų60.98%0.0833%0.328CS..  trans-69.1167.2167.5-84.6-19.8000110.9N192 G193 D194 C197 P198 N199D190-N192 VanDerWaalsContact CB-OD1 3.31Å; D190-N192 WeakPolarHBondContact CB-OD1 3.02Å; D190-N192 PolarHBondContact O-N 3.45Å; D190-G193 WeakPolarHBondContact O-CA 3.42Å; D190-G193 PolarHBondContact O-N 2.97Å; D190-D194 HydrophobicContact CB-CB 4.43Å; D190-D194 PolarHBondContact N-O 3.41Å; D190-C197 VanDerWaalsContact OD2-CA 3.31Å; D190-C197 WeakPolarHBondContact OD2-CA 3.4Å; D190-P198 WeakPolarHBondContact OD2-CD 3.07Å; D190-P198 WeakPolarHBondContact OD2-CG 3.33Å; D190-P198 VanDerWaalsContact OD2-N 3.08Å; D190-N199 PolarHBondContact OD1-ND2 3.29Å; D190-N199 WeakPolarHBondContact OD2-CB 3.3Å; D190-N199 VanDerWaalsContact OD2-CG 3.31Å; D190-N199 PolarHBondContact OD2-N 3.5Å; D190-N199 PolarHBondContact OD2-ND2 3.4Å
191E95.6Very high97.2Very high204 Ų20461 Ų6195%0.95333%0.329SS*.THydrogen-bonded Turntrans-56.9-26.3-178.7-63.8-176169.400113.7G193E191-G193 VanDerWaalsContact C-N 3.29Å
192N96.2Very high97.1Very high125 Ų12563.3 Ų63.367%0.66834%0.343SS*.THydrogen-bonded Turntrans-84.71.8176.166.6-5.6000113.7D190 D194D190-N192 VanDerWaalsContact CB-OD1 3.31Å; D190-N192 WeakPolarHBondContact CB-OD1 3.02Å; D190-N192 PolarHBondContact O-N 3.45Å; N192-D194 VanDerWaalsContact OD1-CB 3.3Å; N192-D194 WeakPolarHBondContact OD1-CB 3.34Å; N192-D194 PolarHBondContact OD1-N 3.2Å
193G97.4Very high96.9Very high45 Ų4564.4 Ų64.446%0.46435%0.345SS..  trans837.9-177.200000114.9D190 E191 E195D190-G193 WeakPolarHBondContact O-CA 3.42Å; D190-G193 PolarHBondContact O-N 2.97Å; E191-G193 VanDerWaalsContact C-N 3.29Å; G193-E195 PolarHBondContact O-N 3.47Å
194D97.7Very high96.6Very high59 Ų5960.2 Ų60.232%0.31634%0.335SS..  trans-69115.6176.9-166.7-31.6000110.8T189 D190 N192 K196 C197 P198T189-D194 WeakPolarHBondContact CA-O 3.15Å; D190-D194 HydrophobicContact CB-CB 4.43Å; D190-D194 PolarHBondContact N-O 3.41Å; N192-D194 VanDerWaalsContact OD1-CB 3.3Å; N192-D194 WeakPolarHBondContact OD1-CB 3.34Å; N192-D194 PolarHBondContact OD1-N 3.2Å; D194-K196 PolarHBondContact O-N 3.02Å; D194-K196 WeakPolarHBondContact OD1-CB 3.44Å; D194-K196 PolarHBondContact OD1-N 3.23Å; D194-C197 PolarHBondContact O-N 2.85Å; D194-P198 HydrophobicContact CB-CG 4.3Å
195E98.1Very high96.5Very high106 Ų10665.9 Ų65.950%0.49536%0.362SS..THydrogen-bonded Turntrans-69.9-14.8-176.7-62.9-176.4169.600114.4P181 A182 Y183 T189 G193P181-E195 VanDerWaalsContact CB-O 3.28Å; P181-E195 WeakPolarHBondContact CB-O 3.47Å; A182-E195 HydrophobicContact CB-CB 3.87Å; A182-E195 HydrophobicContact CB-CG 3.91Å; A182-E195 PolarHBondContact N-O 3.11Å; Y183-E195 WeakPolarHBondContact CB-O 3.3Å; Y183-E195 PolarHBondContact N-O 3.5Å; T189-E195 HydrophobicContact CG2-CG 4.18Å; G193-E195 PolarHBondContact O-N 3.47Å
196K97Very high96.4Very high72 Ų7266 Ų6631%0.31336%0.363SS..THydrogen-bonded Turntrans-90.6-9.3178.2-68.5162161.5-174.20112.9Y183 D194 I201 I203Y183-K196 HydrophobicContact CD1-CG 4.06Å; Y183-K196 HydrophobicContact CD2-CD 4.31Å; Y183-K196 HydrophobicContact CD2-CG 3.86Å; Y183-K196 VanDerWaalsContact CE2-CE 3.42Å; Y183-K196 HydrophobicContact CG-CD 4.44Å; Y183-K196 HydrophobicContact CG-CG 3.59Å; D194-K196 PolarHBondContact O-N 3.02Å; D194-K196 WeakPolarHBondContact OD1-CB 3.44Å; D194-K196 PolarHBondContact OD1-N 3.23Å; K196-I201 WeakPolarHBondContact O-CD1 3.37Å; K196-I203 HydrophobicContact CB-CD1 3.56Å; K196-I203 HydrophobicContact CD-CD1 3.58Å; K196-I203 HydrophobicContact CG-CD1 3.93Å
197C97.9Very high96.4Very high0 Ų070.8 Ų70.80%039%0.393CS..  trans51.856.5-178.4-54.50000114.4P181 D190 D194 N199 K200 I201P181-C197 HydrophobicContact CB-CB 4.46Å; D190-C197 VanDerWaalsContact OD2-CA 3.31Å; D190-C197 WeakPolarHBondContact OD2-CA 3.4Å; D194-C197 PolarHBondContact O-N 2.85Å; C197-N199 PolarHBondContact O-N 3.24Å; C197-N199 VanDerWaalsContact O-N 3.08Å; C197-K200 PolarHBondContact O-N 3.31Å; C197-I201 PolarHBondContact O-N 2.93Å
198P96.3Very high96.4Very high62 Ų6266.5 Ų66.540%0.40337%0.37SS..THydrogen-bonded Turntrans-57.1-20179.825.4-36.9000115D190 D194 K200 I201D190-P198 WeakPolarHBondContact OD2-CD 3.07Å; D190-P198 WeakPolarHBondContact OD2-CG 3.33Å; D190-P198 VanDerWaalsContact OD2-N 3.08Å; D194-P198 HydrophobicContact CB-CG 4.3Å; P198-K200 PolarHBondContact O-N 2.83Å; P198-I201 WeakPolarHBondContact CA-O 3.11Å
199N95.8Very high96.3Very high128 Ų12867.9 Ų67.968%0.68438%0.381SS*.THydrogen-bonded Turntrans-66.5-17.1171.8-68.1-33.5000113.4D190 C197D190-N199 PolarHBondContact OD1-ND2 3.29Å; D190-N199 WeakPolarHBondContact OD2-CB 3.3Å; D190-N199 VanDerWaalsContact OD2-CG 3.31Å; D190-N199 PolarHBondContact OD2-N 3.5Å; D190-N199 PolarHBondContact OD2-ND2 3.4Å; C197-N199 PolarHBondContact O-N 3.24Å; C197-N199 VanDerWaalsContact O-N 3.08Å
200K96.9Very high96.3Very high97 Ų9771.2 Ų71.242%0.42239%0.392SS..THydrogen-bonded Turntrans-123.5-18.8-178.1-57-168.4-177.1-166.50114.2G29 L30 P31 M188 C197 P198G29-K200 WeakPolarHBondContact CA-O 3.45Å; L30-K200 PolarHBondContact N-O 2.88Å; P31-K200 WeakPolarHBondContact O-CD 3.26Å; P31-K200 PolarHBondContact O-NZ 2.88Å; M188-K200 HydrophobicContact SD-CD 4.27Å; C197-K200 PolarHBondContact O-N 3.31Å; P198-K200 PolarHBondContact O-N 2.83Å
201I97.8Very high96.2Very high3 Ų377.7 Ų77.72%0.01543%0.425CS..EExtended strand (participates in β ladder)trans-128120.9-174.4-61.4168.6000109.6H28 P31 F42 L44 P181 W184 K196 C197 P198 I203H28-I201 CarbonylContact O-C 3.56Å; H28-I201 WeakPolarHBondContact O-CA 3.2Å; P31-I201 HydrophobicContact CB-CD1 4.05Å; P31-I201 HydrophobicContact CB-CG1 4.35Å; P31-I201 HydrophobicContact CG-CD1 4.45Å; F42-I201 HydrophobicContact CD1-CD1 3.92Å; F42-I201 HydrophobicContact CD1-CG1 4.32Å; F42-I201 HydrophobicContact CD1-CG2 4.35Å; F42-I201 HydrophobicContact CE1-CD1 4.23Å; L44-I201 HydrophobicContact CD1-CG2 3.77Å; P181-I201 HydrophobicContact CG-CD1 3.49Å; P181-I201 VanDerWaalsContact CG-CD1 3.49Å; W184-I201 HydrophobicContact CE3-CD1 4.41Å; W184-I201 HydrophobicContact CH2-CD1 4.18Å; W184-I201 HydrophobicContact CH2-CG2 4.26Å; W184-I201 HydrophobicContact CZ3-CD1 3.62Å; K196-I201 WeakPolarHBondContact O-CD1 3.37Å; C197-I201 PolarHBondContact O-N 2.93Å; P198-I201 WeakPolarHBondContact CA-O 3.11Å; I201-I203 HydrophobicContact CG2-CG1 4.11Å
202V96.8Very high96.3Very high49 Ų4970.4 Ų70.430%0.29739%0.389SS..EExtended strand (participates in β ladder)trans-81.8115.8163-179.30000107.2G27 H28G27-V202 CarbonylContact C-O 3.57Å; G27-V202 WeakPolarHBondContact CA-O 3.36Å; H28-V202 PolarHBondContact N-O 3.37Å; H28-V202 PolarHBondContact O-N 2.69Å
203I94.2Very high96.4Very high46 Ų4669.4 Ų69.424%0.23638%0.379CS..  trans-84.5-21.7-177.7-55.7176.6000111.9L44 K196 I201L44-I203 HydrophobicContact CD2-CB 4.43Å; L44-I203 HydrophobicContact CD2-CG2 4.03Å; K196-I203 HydrophobicContact CB-CD1 3.56Å; K196-I203 HydrophobicContact CD-CD1 3.58Å; K196-I203 HydrophobicContact CG-CD1 3.93Å; I201-I203 HydrophobicContact CG2-CG1 4.11Å
204G91.3Very high96.4Very high22 Ų2269.9 Ų69.923%0.22737%0.367CS..  trans89.5141.5-164.400000111.2K24 G206K24-G204 WeakPolarHBondContact O-CA 3.41Å; G204-G206 VanDerWaalsContact C-N 3.25Å; G204-G206 PolarHBondContact O-N 2.89Å
205Q92.5Very high96.3Very high123 Ų12370.7 Ų70.758%0.57537%0.371SS*.  trans-89.719.4-178.1-63.7176.731.700113.3K24 Y25K24-Q205 PolarHBondContact O-N 3.38Å; Y25-Q205 HydrophobicContact CD1-CB 3.91Å; Y25-Q205 HydrophobicContact CE1-CB 3.5Å
206G94Very high96.1Very high34 Ų3471 Ų7135%0.35137%0.372SS..SBendtrans86-147.4-176.900000112.9Y25 G204Y25-G206 WeakPolarHBondContact CD1-O 3.17Å; G204-G206 VanDerWaalsContact C-N 3.25Å; G204-G206 PolarHBondContact O-N 2.89Å
207P96.7Very high95.9Very high108 Ų10871 Ų7170%0.70138%0.382SS*.SBendtrans-57.9138.9179-24.234.2000112.4D49 P209D49-P207 WeakPolarHBondContact OD2-CA 3.5Å; P207-P209 WeakPolarHBondContact O-CD 3.4Å
208V98Very high95.8Very high7 Ų776.5 Ų76.54%0.04241%0.411CS..PPolyproline II helixtrans-70.3122.9179.7179.50000109.4V21 Y25 D49 L53 S56 Y212V21-V208 HydrophobicContact CG2-CG1 3.58Å; V21-V208 HydrophobicContact CG2-CG2 4.28Å; Y25-V208 HydrophobicContact CD1-CG2 4.14Å; Y25-V208 HydrophobicContact CG-CG2 3.97Å; D49-V208 HydrophobicContact CB-CG2 4.24Å; D49-V208 PolarHBondContact OD2-N 2.94Å; L53-V208 HydrophobicContact CD2-CG2 3.99Å; L53-V208 HydrophobicContact CG-CG2 4.17Å; S56-V208 WeakPolarHBondContact OG-CG1 3.45Å; V208-Y212 HydrophobicContact CG1-CD2 3.97Å; V208-Y212 HydrophobicContact CG1-CG 4.31Å
209P97.8Very high95.7Very high52 Ų5275 Ų7534%0.33840%0.4SS..PPolyproline II helixtrans-62.8143.2177.4-24.233.8000112.2Y25 P207 I211 Y212Y25-P209 HydrophobicContact CE1-CG 4.37Å; Y25-P209 WeakPolarHBondContact OH-CD 3.21Å; Y25-P209 VanDerWaalsContact OH-CG 3.23Å; Y25-P209 WeakPolarHBondContact OH-CG 3.38Å; P207-P209 WeakPolarHBondContact O-CD 3.4Å; P209-I211 HydrophobicContact CB-CG2 4.13Å; P209-I211 PolarHBondContact O-N 2.86Å; P209-Y212 HydrophobicContact CB-CD2 4.22Å; P209-Y212 HydrophobicContact CB-CE2 4.41Å; P209-Y212 HydrophobicContact CG-CD2 4.3Å; P209-Y212 HydrophobicContact CG-CE2 4.14Å; P209-Y212 PolarHBondContact O-N 2.94Å
210Q96.4Very high95.7Very high139 Ų13977 Ų7765%0.6540%0.402SS*.G310 helixtrans-58.7-18.1-178.5-67.3-60.7-60.800114.5Y212 K213Q210-Y212 PolarHBondContact O-N 3.31Å; Q210-K213 VanDerWaalsContact O-CB 3.23Å; Q210-K213 WeakPolarHBondContact O-CB 3.27Å; Q210-K213 PolarHBondContact O-N 3.27Å; Q210-K213 VanDerWaalsContact O-N 3.1Å
211I96.7Very high95.6Very high151 Ų15175.1 Ų75.177%0.77440%0.395SS*.G310 helixtrans-63.8-24.1175.5-161.3171.8000113.1P209P209-I211 HydrophobicContact CB-CG2 4.13Å; P209-I211 PolarHBondContact O-N 2.86Å
212Y97.4Very high95.5Very high51 Ų5180.2 Ų80.220%0.243%0.431CS..G310 helixtrans-84.3-14.6175.9-65.3-76.4000112.9E20 V21 K24 Y25 S56 V208 P209 Q210 Y214E20-Y212 HydrophobicContact CB-CE1 4.46Å; E20-Y212 HydrophobicContact CG-CE1 4.23Å; V21-Y212 HydrophobicContact CB-CD1 3.81Å; V21-Y212 HydrophobicContact CB-CE1 4.27Å; V21-Y212 HydrophobicContact CB-CG 4.05Å; V21-Y212 HydrophobicContact CG2-CD1 4.17Å; V21-Y212 HydrophobicContact CG2-CD2 4.24Å; V21-Y212 HydrophobicContact CG2-CG 3.89Å; K24-Y212 WeakPolarHBondContact CD-OH 3.33Å; K24-Y212 PolarHBondContact NZ-OH 3.18Å; Y25-Y212 HydrophobicContact CD2-CE2 4.48Å; Y25-Y212 HydrophobicContact CE2-CD2 4.14Å; Y25-Y212 AromaticContact CE2-CE2 3.48Å; Y25-Y212 HydrophobicContact CE2-CE2 3.48Å; Y25-Y212 VanDerWaalsContact CE2-CE2 3.48Å; Y25-Y212 AromaticContact CE2-CZ 3.92Å; Y25-Y212 AromaticContact CZ-CE2 3.96Å; S56-Y212 VanDerWaalsContact CA-O 3.27Å; S56-Y212 WeakPolarHBondContact CA-O 3.34Å; S56-Y212 VanDerWaalsContact CB-O 3.26Å; S56-Y212 WeakPolarHBondContact CB-O 3.21Å; S56-Y212 PolarHBondContact OG-O 3.03Å; V208-Y212 HydrophobicContact CG1-CD2 3.97Å; V208-Y212 HydrophobicContact CG1-CG 4.31Å; P209-Y212 HydrophobicContact CB-CD2 4.22Å; P209-Y212 HydrophobicContact CB-CE2 4.41Å; P209-Y212 HydrophobicContact CG-CD2 4.3Å; P209-Y212 HydrophobicContact CG-CE2 4.14Å; P209-Y212 PolarHBondContact O-N 2.94Å; Q210-Y212 PolarHBondContact O-N 3.31Å; Y212-Y214 PolarHBondContact O-N 2.96Å
213K97.4Very high95.6Very high103 Ų10380 Ų8045%0.44843%0.425SS..SBendtrans-59.4133-176.7-172.4178.5177.8-179.50109.3T55 Q210 D215T55-K213 WeakPolarHBondContact O-CA 3.38Å; Q210-K213 VanDerWaalsContact O-CB 3.23Å; Q210-K213 WeakPolarHBondContact O-CB 3.27Å; Q210-K213 PolarHBondContact O-N 3.27Å; Q210-K213 VanDerWaalsContact O-N 3.1Å; K213-D215 PolarHBondContact O-N 2.96Å
214Y97.1Very high95.8Very high55 Ų5581.1 Ų81.122%0.21643%0.434CS..  trans-59.5125173.7174-108.3000109.8T55 Y212 E216 D219 L289 V290 P291T55-Y214 PolarHBondContact O-N 2.86Å; Y212-Y214 PolarHBondContact O-N 2.96Å; Y214-E216 HydrophobicContact CD1-CG 4.18Å; Y214-E216 HydrophobicContact CE1-CB 4.45Å; Y214-E216 HydrophobicContact CE1-CG 3.56Å; Y214-D219 WeakPolarHBondContact OH-CB 3.5Å; Y214-D219 PolarHBondContact OH-OD2 2.89Å; Y214-L289 WeakPolarHBondContact CD1-O 3.39Å; Y214-V290 HydrophobicContact CD1-CG2 4.5Å; Y214-V290 HydrophobicContact CD2-CG1 4.19Å; Y214-V290 HydrophobicContact CG-CG1 4.06Å; Y214-V290 HydrophobicContact CG-CG2 4.27Å; Y214-P291 VanDerWaalsContact CE1-CD 3.4Å; Y214-P291 HydrophobicContact CE1-CG 4.06Å; Y214-P291 HydrophobicContact CE2-CG 4.45Å; Y214-P291 WeakPolarHBondContact OH-CG 3.31Å
215D95.9Very high96.1Very high77 Ų7786 Ų8641%0.41245%0.451SS..  trans-110.1105.1-179.9177.8-0.5000108.5K213 S217 N218K213-D215 PolarHBondContact O-N 2.96Å; D215-S217 PolarHBondContact O-N 2.85Å; D215-S217 VanDerWaalsContact O-N 3.1Å; D215-S217 VanDerWaalsContact OD1-CB 3.25Å; D215-S217 WeakPolarHBondContact OD1-CB 3.48Å; D215-S217 PolarHBondContact OD1-N 3.38Å; D215-S217 PolarHBondContact OD1-OG 3.35Å; D215-S217 PolarHBondContact OD2-OG 3.38Å; D215-S217 VanDerWaalsContact OD2-OG 3.11Å; D215-N218 WeakPolarHBondContact CB-ND2 3.44Å; D215-N218 WeakPolarHBondContact O-CB 3.41Å; D215-N218 PolarHBondContact O-N 2.99Å; D215-N218 PolarHBondContact OD2-ND2 3.42Å
216E93.4Very high96.3Very high111 Ų11181.8 Ų81.852%0.51943%0.434SS..G310 helixtrans-55.5-26.5178.7-70.5-167.6140.300112.9Y214 N218 D219 K252Y214-E216 HydrophobicContact CD1-CG 4.18Å; Y214-E216 HydrophobicContact CE1-CB 4.45Å; Y214-E216 HydrophobicContact CE1-CG 3.56Å; E216-N218 PolarHBondContact O-N 3.34Å; E216-D219 VanDerWaalsContact O-CB 3.31Å; E216-D219 WeakPolarHBondContact O-CB 3.48Å; E216-D219 PolarHBondContact O-N 2.81Å; E216-K252 IonicContact OE1-NZ 3.81Å; E216-K252 PolarHBondContact OE1-NZ 3.39Å
217S94.3Very high96.5Very high72 Ų7282.5 Ų82.550%0.50343%0.431SS..G310 helixtrans-68.2-20.8178.878.30000113D215 D219 K220D215-S217 PolarHBondContact O-N 2.85Å; D215-S217 VanDerWaalsContact O-N 3.1Å; D215-S217 VanDerWaalsContact OD1-CB 3.25Å; D215-S217 WeakPolarHBondContact OD1-CB 3.48Å; D215-S217 PolarHBondContact OD1-N 3.38Å; D215-S217 PolarHBondContact OD1-OG 3.35Å; D215-S217 PolarHBondContact OD2-OG 3.38Å; D215-S217 VanDerWaalsContact OD2-OG 3.11Å; S217-D219 VanDerWaalsContact C-N 3.34Å; S217-K220 PolarHBondContact O-NZ 2.74Å
218N94.7Very high96.5Very high117 Ų11777.5 Ų77.563%0.62640%0.399SS*.G310 helixtrans-82.4-13.2172.9-65.9-39.4000112.6D215 E216 K220D215-N218 WeakPolarHBondContact CB-ND2 3.44Å; D215-N218 WeakPolarHBondContact O-CB 3.41Å; D215-N218 PolarHBondContact O-N 2.99Å; D215-N218 PolarHBondContact OD2-ND2 3.42Å; E216-N218 PolarHBondContact O-N 3.34Å; N218-K220 PolarHBondContact O-N 2.99Å
219D94.9Very high96.5Very high29 Ų2984.3 Ų84.316%0.15543%0.425CS..  trans-76.9117.5174.2-157-17000110.3Y214 E216 S217 E221 Y223 K250Y214-D219 WeakPolarHBondContact OH-CB 3.5Å; Y214-D219 PolarHBondContact OH-OD2 2.89Å; E216-D219 VanDerWaalsContact O-CB 3.31Å; E216-D219 WeakPolarHBondContact O-CB 3.48Å; E216-D219 PolarHBondContact O-N 2.81Å; S217-D219 VanDerWaalsContact C-N 3.34Å; D219-E221 WeakPolarHBondContact OD1-CB 3.38Å; D219-E221 WeakPolarHBondContact OD1-CG 3.33Å; D219-E221 PolarHBondContact OD1-N 2.77Å; D219-Y223 PolarHBondContact OD2-OH 3.15Å; D219-K250 IonicContact OD1-NZ 3.18Å; D219-K250 PolarHBondContact OD1-NZ 3.18Å; D219-K250 WeakPolarHBondContact OD2-CE 3.45Å; D219-K250 IonicContact OD2-NZ 2.7Å; D219-K250 PolarHBondContact OD2-NZ 3.29Å
220K94.8Very high96.3Very high171 Ų17183 Ų8374%0.74342%0.419SS*.  trans-1085.1-178.3-57-53.1-176.9-160.70112.9S217 N218S217-K220 PolarHBondContact O-NZ 2.74Å; N218-K220 PolarHBondContact O-N 2.99Å
221E95.4Very high96.2Very high58 Ų5878.6 Ų78.627%0.27141%0.41SS..  trans-69.4146-179.9-70.2-66.1174.100111.7D219 Y223 K250 V323 R325D219-E221 WeakPolarHBondContact OD1-CB 3.38Å; D219-E221 WeakPolarHBondContact OD1-CG 3.33Å; D219-E221 PolarHBondContact OD1-N 2.77Å; E221-Y223 HydrophobicContact CB-CD2 4.23Å; E221-Y223 HydrophobicContact CB-CE2 3.73Å; E221-K250 HydrophobicContact CG-CD 4.12Å; E221-V323 HydrophobicContact CB-CG2 4Å; E221-R325 IonicContact OE1-CZ 2.98Å; E221-R325 IonicContact OE1-NH1 2.64Å; E221-R325 PolarHBondContact OE1-NH1 3.2Å; E221-R325 IonicContact OE1-NH2 2.82Å; E221-R325 PolarHBondContact OE1-NH2 3.09Å; E221-R325 IonicContact OE2-CZ 2.88Å; E221-R325 IonicContact OE2-NH1 2.76Å; E221-R325 PolarHBondContact OE2-NH1 3.34Å
222S96Very high96.2Very high109 Ų10976.8 Ų76.876%0.76240%0.399SS*.  trans-99.5100.2174-63.80000109.1V323S222-V323 WeakPolarHBondContact O-CG2 3.43Å
223Y97.9Very high96.2Very high45 Ų4577.6 Ų77.618%0.17641%0.406CS..PPolyproline II helixtrans-78.3144.4-175.7-69.5-92.6000112.4D219 E221 K250 V323D219-Y223 PolarHBondContact OD2-OH 3.15Å; E221-Y223 HydrophobicContact CB-CD2 4.23Å; E221-Y223 HydrophobicContact CB-CE2 3.73Å; Y223-K250 HydrophobicContact CE1-CG 4.38Å; Y223-K250 VanDerWaalsContact OH-CD 3.3Å; Y223-K250 WeakPolarHBondContact OH-CD 3.2Å; Y223-K250 WeakPolarHBondContact OH-CE 3.26Å; Y223-K250 PolarHBondContact OH-NZ 2.9Å; Y223-V323 HydrophobicContact CD1-CG2 3.87Å; Y223-V323 HydrophobicContact CE1-CG2 4.15Å; Y223-V323 HydrophobicContact CG-CG2 4.15Å
224T98.4Very high96.2Very high70 Ų7074.9 Ų74.943%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-85130.3159.6-57.90000108.3S321 Y322T224-S321 CarbonylContact O-C 3.47Å; T224-S321 WeakPolarHBondContact O-CA 3.13Å; T224-Y322 HydrophobicContact CG2-CE1 3.74Å; T224-Y322 HydrophobicContact CG2-CE2 4.28Å; T224-Y322 PolarHBondContact N-O 2.96Å; T224-Y322 PolarHBondContact O-N 3.02Å
225E98Very high96.2Very high123 Ų12375 Ų7558%0.57540%0.399SS*.EExtended strand (participates in β ladder)trans-104131.7179.8-58.1-63161.300110.2L320 S321E225-L320 CarbonylContact C-O 3.57Å; E225-L320 WeakPolarHBondContact CA-O 3.22Å; E225-S321 WeakPolarHBondContact OE1-CB 3.5Å; E225-S321 PolarHBondContact OE1-OG 2.97Å; E225-S321 VanDerWaalsContact OE1-OG 3.08Å; E225-S321 WeakPolarHBondContact OE2-CA 3.42Å; E225-S321 VanDerWaalsContact OE2-CB 3.26Å; E225-S321 WeakPolarHBondContact OE2-CB 3.48Å; E225-S321 PolarHBondContact OE2-OG 3.44Å
226V97.9Very high96.3Very high36 Ų3672.1 Ų72.122%0.21838%0.384CS..EExtended strand (participates in β ladder)trans-148.6143.1177.567.80000111.1V228 L320 Y322V226-V228 HydrophobicContact CG1-CG2 4.24Å; V226-L320 HydrophobicContact CG1-CB 3.9Å; V226-L320 HydrophobicContact CG1-CD2 3.7Å; V226-L320 HydrophobicContact CG1-CG 4.07Å; V226-L320 PolarHBondContact N-O 3.05Å; V226-L320 WeakPolarHBondContact O-CB 3.48Å; V226-L320 PolarHBondContact O-N 2.68Å; V226-Y322 HydrophobicContact CG1-CD1 4.2Å; V226-Y322 HydrophobicContact CG1-CE1 3.89Å
227T97.5Very high96.4Very high48 Ų4872.5 Ų72.529%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-90.9117.8170.3-50.40000109.7Y229 A317 E319T227-Y229 HydrophobicContact CG2-CD1 4.24Å; T227-Y229 HydrophobicContact CG2-CE1 3.93Å; T227-Y229 HydrophobicContact CG2-CE2 4.44Å; T227-A317 HydrophobicContact CG2-CB 3.87Å; T227-E319 WeakPolarHBondContact CB-OE2 3.38Å; T227-E319 WeakPolarHBondContact CG2-OE1 3.32Å; T227-E319 PolarHBondContact OG1-OE1 3.21Å; T227-E319 PolarHBondContact OG1-OE2 2.98Å
228V97.4Very high96.5Very high4 Ų470.5 Ų70.52%0.02437%0.369CS..EExtended strand (participates in β ladder)trans-96.4101173.3-166.50000108.9V226 H234 I258 N310 A317 K318 L320V226-V228 HydrophobicContact CG1-CG2 4.24Å; V228-H234 HydrophobicContact CG1-CB 4.47Å; V228-H234 HydrophobicContact CG2-CB 3.85Å; V228-I258 HydrophobicContact CB-CD1 4.42Å; V228-I258 HydrophobicContact CG2-CD1 4.11Å; V228-N310 HydrophobicContact CB-CB 4.28Å; V228-N310 HydrophobicContact CG1-CB 3.64Å; V228-N310 PolarHBondContact O-ND2 3.41Å; V228-A317 WeakPolarHBondContact O-CA 3.26Å; V228-K318 PolarHBondContact N-O 2.7Å; V228-K318 PolarHBondContact O-N 2.72Å; V228-L320 HydrophobicContact CG2-CB 4.09Å; V228-L320 HydrophobicContact CG2-CD2 3.96Å
229Y96.3Very high96.5Very high149 Ų14969 Ų6958%0.58437%0.368SS*.  trans-64.7154.2-178.6-66.2-73.9000112.8T227 G231 H232 N310 A317T227-Y229 HydrophobicContact CG2-CD1 4.24Å; T227-Y229 HydrophobicContact CG2-CE1 3.93Å; T227-Y229 HydrophobicContact CG2-CE2 4.44Å; Y229-G231 PolarHBondContact O-N 3Å; Y229-H232 WeakPolarHBondContact O-CB 3.45Å; Y229-H232 PolarHBondContact O-N 3.22Å; Y229-H232 VanDerWaalsContact O-N 3.12Å; Y229-N310 PolarHBondContact O-ND2 3.01Å; Y229-A317 HydrophobicContact CD1-CB 3.95Å
230A95.1Very high96.6Very high26 Ų2667.9 Ų67.922%0.21536%0.362CS..THydrogen-bonded Turntrans-53.5136.717300000110.9H232 N310 S313A230-H232 VanDerWaalsContact C-N 3.26Å; A230-H232 PolarHBondContact O-N 3.06Å; A230-H232 PolarHBondContact O-ND1 2.99Å; A230-N310 PolarHBondContact N-ND2 3.31Å; A230-S313 WeakPolarHBondContact CB-O 3.34Å
231G94.8Very high96.5Very high46 Ų4665.8 Ų65.847%0.47436%0.359SS..THydrogen-bonded Turntrans775.8-178.500000115Y229 N310 S313Y229-G231 PolarHBondContact O-N 3Å; G231-N310 PolarHBondContact N-O 2.79Å; G231-S313 PolarHBondContact N-O 2.89Å
232H96Very high96.5Very high113 Ų11367.3 Ų67.352%0.52337%0.367SS..  trans-123.9162.7-178.3-62.971.7000111.6Y229 A230 N310 C311Y229-H232 WeakPolarHBondContact O-CB 3.45Å; Y229-H232 PolarHBondContact O-N 3.22Å; Y229-H232 VanDerWaalsContact O-N 3.12Å; A230-H232 VanDerWaalsContact C-N 3.26Å; A230-H232 PolarHBondContact O-N 3.06Å; A230-H232 PolarHBondContact O-ND1 2.99Å; H232-N310 CarbonylContact O-C 3.33Å; H232-N310 VanDerWaalsContact O-CA 3.32Å; H232-N310 WeakPolarHBondContact O-CA 3.45Å; H232-N310 WeakPolarHBondContact O-CB 3.39Å; H232-N310 PolarHBondContact O-N 2.88Å; H232-C311 PolarHBondContact O-N 2.8Å
233N96.7Very high96.5Very high68 Ų6864.5 Ų64.536%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-120.6162.8167.962.34.3000110.7E307 F308 D309N233-E307 HydrophobicContact CB-CG 4.25Å; N233-E307 PolarHBondContact ND2-OE1 2.9Å; N233-F308 CarbonylContact C-O 3.57Å; N233-F308 VanDerWaalsContact CA-O 3.26Å; N233-F308 WeakPolarHBondContact CA-O 3.39Å; N233-F308 WeakPolarHBondContact CB-O 3.27Å; N233-D309 HydrophobicContact CB-CB 4.43Å
234H97.6Very high96.4Very high45 Ų4563.8 Ų63.821%0.20836%0.356CS..EExtended strand (participates in β ladder)trans-120.4121.8171.4178.566.7000108.4V228 F308 Y322V228-H234 HydrophobicContact CG1-CB 4.47Å; V228-H234 HydrophobicContact CG2-CB 3.85Å; H234-F308 HydrophobicContact CB-CB 4.35Å; H234-F308 PolarHBondContact N-O 3.4Å; H234-F308 PolarHBondContact O-N 3.44Å; H234-Y322 AromaticContact CD2-CE1 3.75Å; H234-Y322 AromaticContact NE2-CE1 3.38Å; H234-Y322 WeakPolarHBondContact NE2-CE1 3.29Å; H234-Y322 AromaticContact NE2-CZ 3.55Å; H234-Y322 PolarHBondContact NE2-OH 3.12Å; H234-Y322 VanDerWaalsContact NE2-OH 3.12Å
235L97.4Very high96.4Very high58 Ų5860.6 Ų60.630%0.30434%0.336SS..EExtended strand (participates in β ladder)trans-107.2130.3-177.4-57.1-177000109.7I273 I305 E307L235-I273 HydrophobicContact CD1-CG2 3.85Å; L235-I273 HydrophobicContact CD2-CD1 4.22Å; L235-I273 HydrophobicContact CD2-CG2 4.4Å; L235-I305 HydrophobicContact CB-CG2 4.16Å; L235-I305 HydrophobicContact CD2-CG2 4.15Å; L235-E307 HydrophobicContact CD2-CB 3.71Å; L235-E307 HydrophobicContact CD2-CG 3.71Å
236V97.7Very high96.4Very high17 Ų1758.4 Ų58.410%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-110.7109.1172.9-173.90000108I238 I305 V306 F308 Y322 I324V236-I238 HydrophobicContact CG1-CD1 4.34Å; V236-I238 HydrophobicContact CG1-CG1 4.36Å; V236-I305 WeakPolarHBondContact O-CA 3.44Å; V236-V306 HydrophobicContact CB-CB 4.33Å; V236-V306 PolarHBondContact N-O 3.06Å; V236-V306 PolarHBondContact O-N 3.14Å; V236-F308 HydrophobicContact CG2-CD2 4.43Å; V236-F308 HydrophobicContact CG2-CE2 4.18Å; V236-Y322 HydrophobicContact CG1-CE2 4.34Å; V236-Y322 HydrophobicContact CG2-CD2 4.45Å; V236-Y322 HydrophobicContact CG2-CE1 4.33Å; V236-Y322 HydrophobicContact CG2-CE2 3.7Å; V236-I324 HydrophobicContact CB-CG1 4.37Å; V236-I324 HydrophobicContact CG1-CB 4.18Å; V236-I324 HydrophobicContact CG1-CG1 4.07Å; V236-I324 HydrophobicContact CG1-CG2 4.39Å; V236-I324 HydrophobicContact CG2-CG1 4.45Å
237E96.5Very high96.4Very high118 Ų11856.7 Ų56.755%0.55132%0.316SS*.EExtended strand (participates in β ladder)trans-88.9132.6176.9-59.9-168.8-163.700110.9R303 I305E237-R303 IonicContact OE2-NH1 2.73Å; E237-I305 HydrophobicContact CG-CG1 4.24Å
238I95.7Very high96.4Very high30 Ų3055.1 Ų55.115%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-132.6124.4-178.3-61.3-79.6000108.3V236 V240 L247 Y304 I324 V326V236-I238 HydrophobicContact CG1-CD1 4.34Å; V236-I238 HydrophobicContact CG1-CG1 4.36Å; I238-V240 HydrophobicContact CG2-CG2 4.13Å; I238-L247 HydrophobicContact CG1-CD1 4.33Å; I238-L247 HydrophobicContact CG2-CD1 4.38Å; I238-Y304 PolarHBondContact N-O 3.11Å; I238-Y304 PolarHBondContact O-N 3.4Å; I238-I324 HydrophobicContact CD1-CB 4.43Å; I238-I324 HydrophobicContact CD1-CG2 3.65Å; I238-I324 HydrophobicContact CG1-CG2 3.72Å; I238-V326 HydrophobicContact CG2-CG2 3.22Å
239S95.2Very high96.4Very high87 Ų8755.1 Ų55.161%0.60830%0.304SS*.EExtended strand (participates in β ladder)trans-88.2130168.9-620000110.3
240V96.4Very high96.5Very high4 Ų449 Ų492%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-115.6115.9176179.50000108.7I238 E242 C298 A301 G302 Y304 V326I238-V240 HydrophobicContact CG2-CG2 4.13Å; V240-E242 WeakPolarHBondContact CG1-O 3.45Å; V240-C298 HydrophobicContact CG1-CB 3.86Å; V240-A301 CarbonylContact O-C 3.57Å; V240-A301 WeakPolarHBondContact O-CA 3.17Å; V240-A301 WeakPolarHBondContact O-CB 3.3Å; V240-G302 PolarHBondContact N-O 3.12Å; V240-G302 PolarHBondContact O-N 2.82Å; V240-Y304 HydrophobicContact CB-CD2 3.89Å; V240-Y304 HydrophobicContact CB-CE2 3.85Å; V240-Y304 HydrophobicContact CG1-CE2 4.48Å; V240-Y304 HydrophobicContact CG2-CD2 3.45Å; V240-Y304 VanDerWaalsContact CG2-CD2 3.45Å; V240-Y304 HydrophobicContact CG2-CE2 3.81Å; V240-Y304 HydrophobicContact CG2-CG 4.22Å; V240-V326 HydrophobicContact CG2-CG1 4.29Å; V240-V326 HydrophobicContact CG2-CG2 3.94Å
241D93.8Very high96.6Very high128 Ų12847.7 Ų47.768%0.68427%0.27SS*.  trans-87-22.3-177-52.9-40.6000113A301D241-A301 WeakPolarHBondContact O-CB 3.29Å
242E95.1Very high96.8Very high90 Ų9047.4 Ų47.442%0.42126%0.256SS..SBendtrans-125.2114.9-172-176.1174.6-175.100111.4V240 S245V240-E242 WeakPolarHBondContact CG1-O 3.45Å; E242-S245 WeakPolarHBondContact O-CB 3.41Å; E242-S245 PolarHBondContact O-N 2.89Å; E242-S245 PolarHBondContact O-OG 3.34Å
243A95.9Very high96.8Very high50 Ų5042.2 Ų42.241%0.41323%0.232SC..THydrogen-bonded Turntrans-60.4137.1171.900000111.2C298 E299A243-C298 CarbonylContact C-O 3.58Å; A243-C298 WeakPolarHBondContact CA-O 3.24Å; A243-E299 WeakPolarHBondContact CB-O 3.47Å
244G96.2Very high96.6Very high30 Ų3044.4 Ų44.431%0.30925%0.248SC..THydrogen-bonded Turntrans91.8-4.3-172.900000114.3C298G244-C298 PolarHBondContact N-O 3.07Å
245S97.3Very high96.1Very high2 Ų243.5 Ų43.51%0.01425%0.251CS..  trans-61.9161.4166-58.30000110.9E242 C298 N327E242-S245 WeakPolarHBondContact O-CB 3.41Å; E242-S245 PolarHBondContact O-N 2.89Å; E242-S245 PolarHBondContact O-OG 3.34Å; S245-C298 WeakPolarHBondContact O-CB 3.4Å; S245-C298 PolarHBondContact O-N 2.69Å; S245-N327 WeakPolarHBondContact CA-O 3.43Å; S245-N327 WeakPolarHBondContact CB-O 3.38Å
246E97.2Very high95.5Very high78 Ų7843.6 Ų43.636%0.36425%0.25SC..EExtended strand (participates in β ladder)trans-110.4120.7178.2-177.6-173.774.700110.6A295 L296 V326 N327E246-A295 HydrophobicContact CG-CB 3.7Å; E246-L296 WeakPolarHBondContact CA-O 3.31Å; E246-V326 CarbonylContact O-C 3.58Å; E246-V326 WeakPolarHBondContact O-CA 3.42Å; E246-N327 HydrophobicContact CB-CB 4.28Å; E246-N327 PolarHBondContact N-O 3.3Å; E246-N327 PolarHBondContact O-N 2.93Å; E246-N327 PolarHBondContact OE1-ND2 3.2Å
247L97.9Very high95.3Very high0 Ų043.1 Ų43.10%025%0.247CC..EExtended strand (participates in β ladder)trans-83.2115.8167.7175.865.6000108.2I238 W249 V262 A295 L296 Y304 V306 I324 V326I238-L247 HydrophobicContact CG1-CD1 4.33Å; I238-L247 HydrophobicContact CG2-CD1 4.38Å; L247-W249 HydrophobicContact CG-CE3 4.42Å; L247-V262 HydrophobicContact CD2-CG1 3.79Å; L247-A295 CarbonylContact O-C 3.55Å; L247-A295 WeakPolarHBondContact O-CA 3.32Å; L247-L296 HydrophobicContact CB-CD1 4.29Å; L247-L296 HydrophobicContact CB-CG 4.37Å; L247-L296 PolarHBondContact N-O 3.18Å; L247-L296 PolarHBondContact O-N 3.47Å; L247-Y304 HydrophobicContact CD2-CD1 4.06Å; L247-Y304 HydrophobicContact CD2-CG 4.41Å; L247-V306 HydrophobicContact CD2-CG2 4.1Å; L247-I324 HydrophobicContact CD1-CG2 3.76Å; L247-V326 HydrophobicContact CD1-CG2 4.32Å
248Y97.7Very high95.2Very high14 Ų1437.5 Ų37.56%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-106.6140.7179171.2-87.7000110.7K250 E293 V323 I324 R325Y248-K250 HydrophobicContact CE1-CB 3.94Å; Y248-E293 HydrophobicContact CE2-CG 3.68Å; Y248-E293 WeakPolarHBondContact CE2-OE1 3.35Å; Y248-E293 VanDerWaalsContact CZ-OE1 3.27Å; Y248-E293 WeakPolarHBondContact OH-CG 3.48Å; Y248-E293 PolarHBondContact OH-OE1 2.86Å; Y248-V323 HydrophobicContact CE1-CG1 4.29Å; Y248-I324 WeakPolarHBondContact O-CA 3.34Å; Y248-R325 HydrophobicContact CD1-CG 3.79Å; Y248-R325 VanDerWaalsContact CE1-NH2 3.29Å; Y248-R325 HydrophobicContact CG-CG 4.28Å; Y248-R325 PolarHBondContact N-O 2.9Å; Y248-R325 PolarHBondContact O-N 3.35Å; Y248-R325 VanDerWaalsContact O-N 3.08Å
249W98.1Very high95.3Very high5 Ų536.1 Ų36.12%0.01921%0.213CC..EExtended strand (participates in β ladder)trans-132.6146.7170.159.789.8000112.2L247 Y251 F260 V262 F280 E293 G294 A295 L296 V323 I324L247-W249 HydrophobicContact CG-CE3 4.42Å; W249-Y251 AromaticContact CD1-CD1 3.99Å; W249-Y251 AromaticContact CD1-CE1 3.93Å; W249-F260 HydrophobicContact CB-CE2 4.44Å; W249-F260 HydrophobicContact CB-CZ 4.31Å; W249-F260 AromaticContact CD1-CE2 3.96Å; W249-F260 AromaticContact CD1-CZ 3.56Å; W249-F260 HydrophobicContact CD2-CE1 4.22Å; W249-F260 HydrophobicContact CD2-CE2 4.5Å; W249-F260 AromaticContact CD2-CZ 3.58Å; W249-F260 HydrophobicContact CD2-CZ 3.58Å; W249-F260 AromaticContact CE2-CE1 3.74Å; W249-F260 AromaticContact CE2-CZ 3.57Å; W249-F260 HydrophobicContact CE3-CZ 4.28Å; W249-F260 HydrophobicContact CG-CE1 4.49Å; W249-F260 HydrophobicContact CG-CE2 4.06Å; W249-F260 AromaticContact CG-CZ 3.57Å; W249-F260 HydrophobicContact CG-CZ 3.57Å; W249-F260 HydrophobicContact CZ2-CE1 4.05Å; W249-F260 HydrophobicContact CZ2-CZ 4.26Å; W249-F260 AromaticContact NE1-CE1 3.74Å; W249-F260 AromaticContact NE1-CZ 3.53Å; W249-V262 HydrophobicContact CZ3-CG2 4.39Å; W249-F280 HydrophobicContact CH2-CD2 4.33Å; W249-F280 HydrophobicContact CZ2-CD2 4.18Å; W249-F280 HydrophobicContact CZ2-CE2 4.31Å; W249-E293 WeakPolarHBondContact O-CA 3.38Å; W249-G294 VanDerWaalsContact CE2-C 3.45Å; W249-G294 VanDerWaalsContact CE2-CA 3.49Å; W249-G294 PolarHBondContact N-O 3.14Å; W249-G294 PolarHBondContact O-N 2.85Å; W249-A295 VanDerWaalsContact CH2-C 3.46Å; W249-L296 HydrophobicContact CH2-CB 4.17Å; W249-L296 HydrophobicContact CH2-CD2 3.99Å; W249-L296 HydrophobicContact CH2-CG 4.2Å; W249-L296 HydrophobicContact CZ3-CB 4.21Å; W249-L296 HydrophobicContact CZ3-CD2 3.89Å; W249-L296 HydrophobicContact CZ3-CG 3.86Å; W249-V323 CarbonylContact C-O 3.58Å; W249-V323 VanDerWaalsContact CA-O 3.29Å; W249-V323 WeakPolarHBondContact CA-O 3.36Å; W249-I324 HydrophobicContact CB-CD1 3.36Å
250K98.1Very high95.4Very high19 Ų1932 Ų328%0.08318%0.184CC..EExtended strand (participates in β ladder)trans-141.9131.2163.6-171177.5-176.7-173.20109.2D219 E221 Y223 Y248 P291 I292 E293 Y322 V323D219-K250 IonicContact OD1-NZ 3.18Å; D219-K250 PolarHBondContact OD1-NZ 3.18Å; D219-K250 WeakPolarHBondContact OD2-CE 3.45Å; D219-K250 IonicContact OD2-NZ 2.7Å; D219-K250 PolarHBondContact OD2-NZ 3.29Å; E221-K250 HydrophobicContact CG-CD 4.12Å; Y223-K250 HydrophobicContact CE1-CG 4.38Å; Y223-K250 VanDerWaalsContact OH-CD 3.3Å; Y223-K250 WeakPolarHBondContact OH-CD 3.2Å; Y223-K250 WeakPolarHBondContact OH-CE 3.26Å; Y223-K250 PolarHBondContact OH-NZ 2.9Å; Y248-K250 HydrophobicContact CE1-CB 3.94Å; K250-P291 HydrophobicContact CG-CB 4.03Å; K250-I292 CarbonylContact C-O 3.38Å; K250-I292 WeakPolarHBondContact CA-O 3.47Å; K250-E293 HydrophobicContact CB-CG 4.47Å; K250-E293 HydrophobicContact CG-CB 4.23Å; K250-E293 HydrophobicContact CG-CG 4.46Å; K250-Y322 CarbonylContact O-C 3.52Å; K250-Y322 WeakPolarHBondContact O-CA 3.34Å; K250-V323 HydrophobicContact CB-CB 4.45Å; K250-V323 PolarHBondContact N-O 3.4Å; K250-V323 PolarHBondContact O-N 3.45Å
251Y98.3Very high95.4Very high0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-149.9154.4-178.168.2-90.8000113.1W249 I258 F260 F285 C287 P291 I292 F308 L320 S321W249-Y251 AromaticContact CD1-CD1 3.99Å; W249-Y251 AromaticContact CD1-CE1 3.93Å; Y251-I258 HydrophobicContact CD2-CG2 4Å; Y251-I258 HydrophobicContact CE2-CG2 3.65Å; Y251-F260 HydrophobicContact CD1-CD2 4.02Å; Y251-F260 HydrophobicContact CD1-CE2 4.04Å; Y251-F260 HydrophobicContact CE1-CB 4.38Å; Y251-F260 HydrophobicContact CE1-CD1 4.48Å; Y251-F260 AromaticContact CE1-CD2 3.41Å; Y251-F260 HydrophobicContact CE1-CD2 3.41Å; Y251-F260 VanDerWaalsContact CE1-CD2 3.41Å; Y251-F260 AromaticContact CE1-CE2 3.69Å; Y251-F260 HydrophobicContact CE1-CE2 3.69Å; Y251-F260 AromaticContact CE1-CG 3.84Å; Y251-F260 HydrophobicContact CE1-CG 3.84Å; Y251-F260 HydrophobicContact CE1-CZ 4.36Å; Y251-F260 AromaticContact CZ-CD2 3.81Å; Y251-F260 AromaticContact CZ-CG 3.94Å; Y251-F260 WeakPolarHBondContact OH-CB 3.13Å; Y251-F285 WeakPolarHBondContact OH-CD2 3.35Å; Y251-C287 HydrophobicContact CD2-CB 4.18Å; Y251-C287 HydrophobicContact CE2-CB 3.95Å; Y251-P291 CarbonylContact O-C 3.55Å; Y251-P291 VanDerWaalsContact O-CA 3.26Å; Y251-P291 WeakPolarHBondContact O-CA 3.26Å; Y251-P291 WeakPolarHBondContact O-CB 3.36Å; Y251-I292 HydrophobicContact CD1-CB 4.06Å; Y251-I292 HydrophobicContact CD1-CG2 4.33Å; Y251-I292 HydrophobicContact CD2-CB 4.38Å; Y251-I292 HydrophobicContact CE1-CB 3.57Å; Y251-I292 HydrophobicContact CE1-CG1 4.45Å; Y251-I292 HydrophobicContact CE1-CG2 3.49Å; Y251-I292 VanDerWaalsContact CE1-CG2 3.49Å; Y251-I292 HydrophobicContact CE2-CB 3.91Å; Y251-I292 HydrophobicContact CE2-CG1 4Å; Y251-I292 HydrophobicContact CE2-CG2 4.49Å; Y251-I292 HydrophobicContact CG-CB 4.45Å; Y251-I292 VanDerWaalsContact CZ-CB 3.48Å; Y251-I292 PolarHBondContact N-O 2.93Å; Y251-I292 PolarHBondContact O-N 2.83Å; Y251-I292 WeakPolarHBondContact OH-CG2 3.33Å; Y251-F308 AromaticContact CD1-CE1 3.71Å; Y251-F308 HydrophobicContact CD1-CE1 3.71Å; Y251-F308 HydrophobicContact CD1-CZ 4.27Å; Y251-F308 HydrophobicContact CD2-CD1 4.44Å; Y251-F308 AromaticContact CD2-CE1 3.87Å; Y251-F308 HydrophobicContact CD2-CE1 3.87Å; Y251-F308 HydrophobicContact CE1-CE1 4.26Å; Y251-F308 HydrophobicContact CE2-CE1 4.41Å; Y251-F308 HydrophobicContact CG-CD1 4.45Å; Y251-F308 AromaticContact CG-CE1 3.48Å; Y251-F308 HydrophobicContact CG-CE1 3.48Å; Y251-F308 VanDerWaalsContact CG-CE1 3.48Å; Y251-F308 HydrophobicContact CG-CZ 4.17Å; Y251-L320 HydrophobicContact CD2-CD1 4.39Å; Y251-S321 CarbonylContact C-O 3.58Å; Y251-S321 VanDerWaalsContact CA-O 3.24Å; Y251-S321 WeakPolarHBondContact CA-O 3.49Å
252K97.6Very high95.6Very high40 Ų4025.7 Ų25.717%0.17415%0.15CC..EExtended strand (participates in β ladder)trans-146.9158.1172.864.2179.9-168179.10110.3E216 C287 P291 S321E216-K252 IonicContact OE1-NZ 3.81Å; E216-K252 PolarHBondContact OE1-NZ 3.39Å; K252-C287 VanDerWaalsContact CA-O 3.28Å; K252-C287 WeakPolarHBondContact CA-O 3.15Å; K252-C287 WeakPolarHBondContact CB-O 3.45Å; K252-P291 HydrophobicContact CB-CB 4.18Å; K252-P291 HydrophobicContact CB-CG 4.21Å; K252-P291 HydrophobicContact CD-CG 4.03Å; K252-S321 PolarHBondContact N-O 2.75Å; K252-S321 PolarHBondContact O-N 3.25Å
253T96.7Very high95.7Very high4 Ų423 Ų233%0.02514%0.137CC..EExtended strand (participates in β ladder)trans-109.7166166.457.90000109.7G255 E256 I258 A288 K318 E319 L320T253-G255 PolarHBondContact O-N 3.29Å; T253-G255 PolarHBondContact OG1-N 3.31Å; T253-G255 PolarHBondContact OG1-O 3.06Å; T253-G255 VanDerWaalsContact OG1-O 3.1Å; T253-E256 PolarHBondContact OG1-O 3.08Å; T253-I258 HydrophobicContact CG2-CB 4.05Å; T253-I258 HydrophobicContact CG2-CD1 4.42Å; T253-I258 HydrophobicContact CG2-CG2 4.17Å; T253-A288 WeakPolarHBondContact O-CA 3.48Å; T253-K318 HydrophobicContact CG2-CB 4.4Å; T253-E319 CarbonylContact C-O 3.2Å; T253-E319 WeakPolarHBondContact CA-O 3.42Å; T253-L320 HydrophobicContact CG2-CD1 4.49Å
254T92.9Very high95.8Very high114 Ų11420.9 Ų20.970%0.69912%0.118SC*.SBendtrans-71.4-10.9168.258.40000113E319T254-E319 HydrophobicContact CG2-CB 3.68Å; T254-E319 HydrophobicContact CG2-CG 4.38Å; T254-E319 PolarHBondContact N-O 3.19Å
255G87.6Confident95.8Very high25 Ų2520 Ų2026%0.25811%0.106SC..SBendtrans176.1149.6-176.500000111.6T253T253-G255 PolarHBondContact O-N 3.29Å; T253-G255 PolarHBondContact OG1-N 3.31Å; T253-G255 PolarHBondContact OG1-O 3.06Å; T253-G255 VanDerWaalsContact OG1-O 3.1Å
256E84.5Confident95.6Very high61 Ų6125.9 Ų25.929%0.28514%0.138SC..SBendtrans67.1173.2179.5-41.8-169.1130.400114.3K108 T253 E286 S316 K318K108-E256 IonicContact NZ-OE1 2.63Å; K108-E256 PolarHBondContact NZ-OE1 3.06Å; T253-E256 PolarHBondContact OG1-O 3.08Å; E256-E286 WeakPolarHBondContact CA-OE1 3.37Å; E256-E286 PolarHBondContact N-OE1 2.88Å; E256-S316 PolarHBondContact OE2-OG 3.42Å; E256-K318 IonicContact OE2-NZ 3.66Å; E256-K318 PolarHBondContact OE2-NZ 2.87Å
257D92.6Very high95.4Very high7 Ų725.9 Ų25.94%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-73168.9174.358.71.9000112.8R284 F285 Y312 K318D257-R284 IonicContact OD1-NH2 3.06Å; D257-R284 IonicContact OD2-CZ 2.68Å; D257-R284 IonicContact OD2-NE 3.58Å; D257-R284 PolarHBondContact OD2-NE 2.95Å; D257-R284 IonicContact OD2-NH2 2.85Å; D257-R284 PolarHBondContact OD2-NH2 3.18Å; D257-F285 WeakPolarHBondContact CA-O 3.5Å; D257-F285 WeakPolarHBondContact CB-O 3.48Å; D257-Y312 VanDerWaalsContact C-OH 3.23Å; D257-Y312 PolarHBondContact O-OH 2.82Å; D257-Y312 WeakPolarHBondContact OD1-CE2 3.27Å; D257-Y312 PolarHBondContact OD1-OH 3.5Å; D257-K318 WeakPolarHBondContact O-CD 3.48Å; D257-K318 WeakPolarHBondContact O-CE 3.46Å; D257-K318 PolarHBondContact O-NZ 3.26Å; D257-K318 IonicContact OD1-NZ 3.54Å
258I95.5Very high94.8Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-138.2147.9162.1-163.9161.3000108.6V228 Y251 T253 F285 F308 D309 Y312 K318 L320V228-I258 HydrophobicContact CB-CD1 4.42Å; V228-I258 HydrophobicContact CG2-CD1 4.11Å; Y251-I258 HydrophobicContact CD2-CG2 4Å; Y251-I258 HydrophobicContact CE2-CG2 3.65Å; T253-I258 HydrophobicContact CG2-CB 4.05Å; T253-I258 HydrophobicContact CG2-CD1 4.42Å; T253-I258 HydrophobicContact CG2-CG2 4.17Å; I258-F285 PolarHBondContact N-O 2.68Å; I258-F285 PolarHBondContact O-N 2.61Å; I258-F308 HydrophobicContact CD1-CB 3.88Å; I258-F308 HydrophobicContact CG1-CB 4.42Å; I258-F308 HydrophobicContact CG2-CD1 4.33Å; I258-D309 WeakPolarHBondContact CG1-O 3.49Å; I258-Y312 VanDerWaalsContact CA-OH 3.31Å; I258-Y312 WeakPolarHBondContact CA-OH 3.19Å; I258-Y312 PolarHBondContact N-OH 3.15Å; I258-K318 HydrophobicContact CB-CD 4.1Å; I258-K318 HydrophobicContact CD1-CB 4.39Å; I258-K318 HydrophobicContact CD1-CD 4.15Å; I258-K318 HydrophobicContact CG1-CD 3.98Å; I258-L320 HydrophobicContact CD1-CB 4.47Å; I258-L320 HydrophobicContact CD1-CD1 4.28Å; I258-L320 HydrophobicContact CD1-CD2 4.29Å
259G96.3Very high94.4Very high0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-70.5138.8171.800000109.8F308 D309G259-F308 CarbonylContact O-C 2.97Å; G259-F308 WeakPolarHBondContact O-CA 3.49Å; G259-D309 PolarHBondContact N-O 2.99Å; G259-D309 PolarHBondContact O-N 3.12Å
260F97.5Very high94.1Very high1 Ų141.8 Ų41.80%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-134.8133.4-179.8-179.4-93000110.5W249 Y251 V262 F280 Y282 I283 V306 E307 F308W249-F260 HydrophobicContact CB-CE2 4.44Å; W249-F260 HydrophobicContact CB-CZ 4.31Å; W249-F260 AromaticContact CD1-CE2 3.96Å; W249-F260 AromaticContact CD1-CZ 3.56Å; W249-F260 HydrophobicContact CD2-CE1 4.22Å; W249-F260 HydrophobicContact CD2-CE2 4.5Å; W249-F260 AromaticContact CD2-CZ 3.58Å; W249-F260 HydrophobicContact CD2-CZ 3.58Å; W249-F260 AromaticContact CE2-CE1 3.74Å; W249-F260 AromaticContact CE2-CZ 3.57Å; W249-F260 HydrophobicContact CE3-CZ 4.28Å; W249-F260 HydrophobicContact CG-CE1 4.49Å; W249-F260 HydrophobicContact CG-CE2 4.06Å; W249-F260 AromaticContact CG-CZ 3.57Å; W249-F260 HydrophobicContact CG-CZ 3.57Å; W249-F260 HydrophobicContact CZ2-CE1 4.05Å; W249-F260 HydrophobicContact CZ2-CZ 4.26Å; W249-F260 AromaticContact NE1-CE1 3.74Å; W249-F260 AromaticContact NE1-CZ 3.53Å; Y251-F260 HydrophobicContact CD1-CD2 4.02Å; Y251-F260 HydrophobicContact CD1-CE2 4.04Å; Y251-F260 HydrophobicContact CE1-CB 4.38Å; Y251-F260 HydrophobicContact CE1-CD1 4.48Å; Y251-F260 AromaticContact CE1-CD2 3.41Å; Y251-F260 HydrophobicContact CE1-CD2 3.41Å; Y251-F260 VanDerWaalsContact CE1-CD2 3.41Å; Y251-F260 AromaticContact CE1-CE2 3.69Å; Y251-F260 HydrophobicContact CE1-CE2 3.69Å; Y251-F260 AromaticContact CE1-CG 3.84Å; Y251-F260 HydrophobicContact CE1-CG 3.84Å; Y251-F260 HydrophobicContact CE1-CZ 4.36Å; Y251-F260 AromaticContact CZ-CD2 3.81Å; Y251-F260 AromaticContact CZ-CG 3.94Å; Y251-F260 WeakPolarHBondContact OH-CB 3.13Å; F260-V262 HydrophobicContact CE1-CG2 3.78Å; F260-V262 HydrophobicContact CZ-CG2 3.74Å; F260-F280 AromaticContact CD1-CD1 3.79Å; F260-F280 HydrophobicContact CD1-CD1 3.79Å; F260-F280 AromaticContact CD1-CE1 3.92Å; F260-F280 HydrophobicContact CD1-CE1 3.92Å; F260-F280 AromaticContact CE1-CD1 3.9Å; F260-F280 HydrophobicContact CE1-CD1 3.9Å; F260-F280 HydrophobicContact CE1-CE1 4.24Å; F260-F280 HydrophobicContact CE1-CG 4.26Å; F260-Y282 WeakPolarHBondContact O-CA 3.36Å; F260-I283 PolarHBondContact N-O 2.68Å; F260-I283 PolarHBondContact O-N 2.64Å; F260-V306 HydrophobicContact CD2-CG1 4.24Å; F260-V306 HydrophobicContact CE2-CG1 3.42Å; F260-V306 VanDerWaalsContact CE2-CG1 3.42Å; F260-V306 HydrophobicContact CZ-CG1 3.93Å; F260-E307 WeakPolarHBondContact CA-O 3.5Å; F260-F308 HydrophobicContact CD2-CD1 4.08Å; F260-F308 AromaticContact CD2-CE1 3.67Å; F260-F308 HydrophobicContact CD2-CE1 3.67Å; F260-F308 HydrophobicContact CD2-CZ 4.31Å; F260-F308 AromaticContact CE2-CE1 3.99Å; F260-F308 HydrophobicContact CE2-CE1 3.99Å; F260-F308 HydrophobicContact CE2-CZ 4.19Å
261A97.1Very high93.7Very high0 Ų047 Ų470%025%0.25CS..EExtended strand (participates in β ladder)trans-150.2159.4174.100000111.1Y263 E307A261-Y263 HydrophobicContact CB-CD2 4.47Å; A261-Y263 HydrophobicContact CB-CE2 3.54Å; A261-Y263 WeakPolarHBondContact CB-OH 3.28Å; A261-E307 HydrophobicContact CB-CB 4.38Å; A261-E307 PolarHBondContact N-O 3.12Å; A261-E307 PolarHBondContact O-N 3.26Å
262V97.7Very high93.4Very high0 Ų050.6 Ų50.60%027%0.27CS..EExtended strand (participates in β ladder)trans-130.9132.4173.5-1740000109.9L247 W249 F260 L279 F280 L296 I305 V306L247-V262 HydrophobicContact CD2-CG1 3.79Å; W249-V262 HydrophobicContact CZ3-CG2 4.39Å; F260-V262 HydrophobicContact CE1-CG2 3.78Å; F260-V262 HydrophobicContact CZ-CG2 3.74Å; V262-L279 HydrophobicContact CG1-CB 4.5Å; V262-L279 PolarHBondContact O-N 3.33Å; V262-F280 HydrophobicContact CB-CB 3.75Å; V262-F280 HydrophobicContact CG2-CB 3.83Å; V262-F280 PolarHBondContact N-O 3.06Å; V262-F280 PolarHBondContact O-N 3.1Å; V262-L296 HydrophobicContact CB-CD2 4.19Å; V262-L296 HydrophobicContact CG1-CD2 3.97Å; V262-L296 HydrophobicContact CG2-CD2 4.44Å; V262-I305 CarbonylContact C-O 3.56Å; V262-I305 WeakPolarHBondContact CA-O 3.47Å; V262-V306 HydrophobicContact CG2-CG2 4.31Å
263Y97.4Very high93.2Very high33 Ų3349.6 Ų49.613%0.12927%0.266CS..EExtended strand (participates in β ladder)trans-123.5157.4-178.7-53.1-88.3000111.4A261 I273 E277 P278 Y304 I305 E307A261-Y263 HydrophobicContact CB-CD2 4.47Å; A261-Y263 HydrophobicContact CB-CE2 3.54Å; A261-Y263 WeakPolarHBondContact CB-OH 3.28Å; Y263-I273 HydrophobicContact CD2-CB 4.37Å; Y263-I273 HydrophobicContact CE2-CD1 4.23Å; Y263-E277 CarbonylContact C-O 3.5Å; Y263-E277 VanDerWaalsContact CA-O 3.27Å; Y263-E277 WeakPolarHBondContact CA-O 3.36Å; Y263-P278 HydrophobicContact CD1-CB 4.2Å; Y263-P278 HydrophobicContact CE1-CB 4.23Å; Y263-Y304 CarbonylContact O-C 3.58Å; Y263-Y304 WeakPolarHBondContact O-CA 3.41Å; Y263-I305 PolarHBondContact N-O 2.81Å; Y263-I305 PolarHBondContact O-N 2.66Å; Y263-E307 HydrophobicContact CE2-CB 3.92Å; Y263-E307 PolarHBondContact OH-OE2 2.65Å; Y263-E307 VanDerWaalsContact OH-OE2 3.14Å
264F97.4Very high93Very high5 Ų558.1 Ų58.12%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-130.6142.9174.5166.4-96000111.8D266 M276 E277 L279 K300 R303 Y304F264-D266 HydrophobicContact CE1-CB 4.3Å; F264-D266 HydrophobicContact CZ-CB 4Å; F264-M276 WeakPolarHBondContact O-CB 3.33Å; F264-E277 HydrophobicContact CB-CB 4.42Å; F264-E277 HydrophobicContact CD1-CB 4.26Å; F264-E277 PolarHBondContact N-O 2.87Å; F264-E277 WeakPolarHBondContact O-CB 3.11Å; F264-E277 PolarHBondContact O-N 3.04Å; F264-L279 HydrophobicContact CB-CD1 3.54Å; F264-L279 HydrophobicContact CB-CD2 4.19Å; F264-L279 HydrophobicContact CB-CG 3.79Å; F264-L279 HydrophobicContact CG-CD1 4.48Å; F264-K300 HydrophobicContact CD1-CD 4.22Å; F264-K300 HydrophobicContact CE1-CB 4.26Å; F264-K300 HydrophobicContact CE1-CD 3.41Å; F264-K300 VanDerWaalsContact CE1-CD 3.41Å; F264-K300 HydrophobicContact CE1-CG 4.48Å; F264-K300 HydrophobicContact CE2-CB 3.83Å; F264-K300 HydrophobicContact CE2-CD 4.48Å; F264-K300 HydrophobicContact CZ-CB 3.55Å; F264-K300 HydrophobicContact CZ-CD 3.56Å; F264-K300 HydrophobicContact CZ-CG 4.22Å; F264-R303 WeakPolarHBondContact CA-O 3.32Å; F264-R303 WeakPolarHBondContact CD2-O 3.47Å; F264-Y304 HydrophobicContact CB-CD1 4.48Å; F264-Y304 HydrophobicContact CB-CE1 4.33Å; F264-Y304 HydrophobicContact CD2-CD1 4.49Å; F264-Y304 HydrophobicContact CD2-CD2 4Å; F264-Y304 HydrophobicContact CD2-CE1 4.09Å; F264-Y304 AromaticContact CD2-CE2 3.53Å; F264-Y304 HydrophobicContact CD2-CE2 3.53Å; F264-Y304 HydrophobicContact CD2-CG 4.44Å; F264-Y304 AromaticContact CD2-CZ 3.55Å; F264-Y304 AromaticContact CE2-CE2 3.9Å; F264-Y304 HydrophobicContact CE2-CE2 3.9Å
265T96.5Very high93Very high11 Ų1157.4 Ų57.47%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-145.5138.9167.5-170.30000111.6N267 A270 M276 R303 I305T265-N267 PolarHBondContact OG1-N 2.86Å; T265-N267 VanDerWaalsContact OG1-N 3.16Å; T265-A270 HydrophobicContact CG2-CB 4.39Å; T265-M276 HydrophobicContact CG2-CE 3.95Å; T265-M276 HydrophobicContact CG2-CG 4.17Å; T265-M276 HydrophobicContact CG2-SD 3.87Å; T265-R303 HydrophobicContact CG2-CB 4.04Å; T265-R303 PolarHBondContact N-O 2.97Å; T265-R303 PolarHBondContact O-N 2.81Å; T265-I305 HydrophobicContact CG2-CD1 4.25Å
266D93.2Very high93.4Very high126 Ų12657 Ų5767%0.67429%0.29SS*.SBendtrans-92.7-7167.657.1-1.7000112.3F264 E268F264-D266 HydrophobicContact CE1-CB 4.3Å; F264-D266 HydrophobicContact CZ-CB 4Å; D266-E268 PolarHBondContact O-N 3.5Å
267N92.8Very high93.9Very high79 Ų7958 Ų5842%0.42230%0.295SS..  trans-87.7107.2175-179.82.5000109.8T265 E269 A270 R303T265-N267 PolarHBondContact OG1-N 2.86Å; T265-N267 VanDerWaalsContact OG1-N 3.16Å; N267-E269 PolarHBondContact O-N 3.04Å; N267-E269 PolarHBondContact OD1-N 3.06Å; N267-A270 HydrophobicContact CB-CB 4.08Å; N267-A270 WeakPolarHBondContact O-CB 3.34Å; N267-A270 PolarHBondContact O-N 3.34Å; N267-R303 PolarHBondContact O-NH2 3.16Å
268E85.3Confident94.1Very high170 Ų17060 Ų6079%0.79431%0.309SS*.THydrogen-bonded Turntrans-60.9-24178.3-66.4-172.817400113.8D266 R303D266-E268 PolarHBondContact O-N 3.5Å; E268-R303 PolarHBondContact O-NH2 3.5Å; E268-R303 VanDerWaalsContact O-NH2 3.15Å
269E89.3Confident94.1Very high173 Ų17361.6 Ų61.681%0.80832%0.317SS*.THydrogen-bonded Turntrans-88.1-10.8-179.3-59.1-174.4170.700113.3N267 T271N267-E269 PolarHBondContact O-N 3.04Å; N267-E269 PolarHBondContact OD1-N 3.06Å; E269-T271 PolarHBondContact O-N 2.79Å
270A91.1Very high94.1Very high9 Ų962.1 Ų62.17%0.07432%0.319CS..  trans-68.2122.5-178.600000111.2T265 N267 M276 R303T265-A270 HydrophobicContact CG2-CB 4.39Å; N267-A270 HydrophobicContact CB-CB 4.08Å; N267-A270 WeakPolarHBondContact O-CB 3.34Å; N267-A270 PolarHBondContact O-N 3.34Å; A270-M276 HydrophobicContact CB-CE 4.22Å; A270-M276 WeakPolarHBondContact O-CE 3.4Å; A270-R303 PolarHBondContact O-NH2 2.81Å
271T89.9Confident93.8Very high128 Ų12863.3 Ų63.379%0.78533%0.327SS*.  trans-112.5-19.1177.359.50000113.3E269E269-T271 PolarHBondContact O-N 2.79Å
272D92.9Very high93.7Very high76 Ų7667.9 Ų67.941%0.40635%0.345SS..  trans-92.9111.1179.2-176.30.2000110K274 T275D272-K274 PolarHBondContact O-N 2.98Å; D272-K274 VanDerWaalsContact OD1-CB 3.29Å; D272-K274 WeakPolarHBondContact OD1-CB 3.29Å; D272-K274 WeakPolarHBondContact OD1-CG 3.24Å; D272-K274 PolarHBondContact OD1-N 2.59Å; D272-T275 HydrophobicContact CB-CG2 4.1Å; D272-T275 WeakPolarHBondContact O-CB 3.34Å; D272-T275 PolarHBondContact O-N 2.79Å; D272-T275 PolarHBondContact O-OG1 2.86Å
273I93.4Very high93.6Very high19 Ų1968.2 Ų68.210%0.09735%0.346CS..G310 helixtrans-55.4-24.5177.861.9173.8000112.7L235 Y263 T275 M276 I305 E307L235-I273 HydrophobicContact CD1-CG2 3.85Å; L235-I273 HydrophobicContact CD2-CD1 4.22Å; L235-I273 HydrophobicContact CD2-CG2 4.4Å; Y263-I273 HydrophobicContact CD2-CB 4.37Å; Y263-I273 HydrophobicContact CE2-CD1 4.23Å; I273-T275 PolarHBondContact O-N 3.08Å; I273-M276 HydrophobicContact CB-SD 4.47Å; I273-M276 HydrophobicContact CG2-CE 4.43Å; I273-M276 HydrophobicContact CG2-SD 4.21Å; I273-M276 WeakPolarHBondContact O-CB 3.19Å; I273-M276 PolarHBondContact O-N 2.86Å; I273-M276 VanDerWaalsContact O-N 3.11Å; I273-I305 HydrophobicContact CG2-CG2 4.02Å; I273-E307 VanDerWaalsContact CD1-OE1 3.22Å; I273-E307 WeakPolarHBondContact CD1-OE1 3.32Å
274K91.6Very high93.4Very high184 Ų18470.9 Ų70.980%0.836%0.356SS*.G310 helixtrans-68.3-17.6176.9-61.3174.1-178.31740113.3D272D272-K274 PolarHBondContact O-N 2.98Å; D272-K274 VanDerWaalsContact OD1-CB 3.29Å; D272-K274 WeakPolarHBondContact OD1-CB 3.29Å; D272-K274 WeakPolarHBondContact OD1-CG 3.24Å; D272-K274 PolarHBondContact OD1-N 2.59Å
275T93.4Very high93.2Very high99 Ų9970.7 Ų70.761%0.60736%0.356SS*.G310 helixtrans-92-7.1176.168.10000112.9D272 I273D272-T275 HydrophobicContact CB-CG2 4.1Å; D272-T275 WeakPolarHBondContact O-CB 3.34Å; D272-T275 PolarHBondContact O-N 2.79Å; D272-T275 PolarHBondContact O-OG1 2.86Å; I273-T275 PolarHBondContact O-N 3.08Å
276M95.6Very high93.1Very high15 Ų1570.9 Ų70.97%0.07436%0.355CS..SBendtrans-90.3159.2-175.4-56.5-174.8-176.700111.6F264 T265 A270 I273 P278 I305F264-M276 WeakPolarHBondContact O-CB 3.33Å; T265-M276 HydrophobicContact CG2-CE 3.95Å; T265-M276 HydrophobicContact CG2-CG 4.17Å; T265-M276 HydrophobicContact CG2-SD 3.87Å; A270-M276 HydrophobicContact CB-CE 4.22Å; A270-M276 WeakPolarHBondContact O-CE 3.4Å; I273-M276 HydrophobicContact CB-SD 4.47Å; I273-M276 HydrophobicContact CG2-CE 4.43Å; I273-M276 HydrophobicContact CG2-SD 4.21Å; I273-M276 WeakPolarHBondContact O-CB 3.19Å; I273-M276 PolarHBondContact O-N 2.86Å; I273-M276 VanDerWaalsContact O-N 3.11Å; M276-P278 VanDerWaalsContact O-CD 3.29Å; M276-P278 WeakPolarHBondContact O-CD 3.38Å; M276-I305 HydrophobicContact CE-CD1 4.01Å; M276-I305 HydrophobicContact CE-CG1 4.32Å; M276-I305 HydrophobicContact SD-CD1 3.32Å; M276-I305 WeakPolarHBondContact SD-CD1 3.32Å; M276-I305 HydrophobicContact SD-CG1 3.83Å
277E95.6Very high93.3Very high82 Ų8264.9 Ų64.938%0.38332%0.323SS..EExtended strand (participates in β ladder)trans-72.4116.7177.4-176.3-178.5173.200109.9Y263 F264 L279 K300Y263-E277 CarbonylContact C-O 3.5Å; Y263-E277 VanDerWaalsContact CA-O 3.27Å; Y263-E277 WeakPolarHBondContact CA-O 3.36Å; F264-E277 HydrophobicContact CB-CB 4.42Å; F264-E277 HydrophobicContact CD1-CB 4.26Å; F264-E277 PolarHBondContact N-O 2.87Å; F264-E277 WeakPolarHBondContact O-CB 3.11Å; F264-E277 PolarHBondContact O-N 3.04Å; E277-L279 HydrophobicContact CG-CD2 4.07Å; E277-L279 PolarHBondContact O-N 2.74Å; E277-K300 IonicContact OE2-NZ 3.84Å; E277-K300 PolarHBondContact OE2-NZ 2.89Å
278P95.9Very high93.4Very high51 Ų5162.3 Ų62.333%0.33131%0.313SS..EExtended strand (participates in β ladder)trans-72.7119.6174.929.6-35000110.7I2 Y263 M276I2-P278 HydrophobicContact CD1-CB 4.32Å; I2-P278 HydrophobicContact CD1-CG 3.52Å; I2-P278 HydrophobicContact CG1-CG 4.38Å; Y263-P278 HydrophobicContact CD1-CB 4.2Å; Y263-P278 HydrophobicContact CE1-CB 4.23Å; M276-P278 VanDerWaalsContact O-CD 3.29Å; M276-P278 WeakPolarHBondContact O-CD 3.38Å
279L96Very high93.9Very high32 Ų3257.4 Ų57.417%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-98.7-38.9178.5-62.5-171.5000112.7A6 V262 F264 E277 L296 Y304A6-L279 WeakPolarHBondContact CB-O 3.43Å; V262-L279 HydrophobicContact CG1-CB 4.5Å; V262-L279 PolarHBondContact O-N 3.33Å; F264-L279 HydrophobicContact CB-CD1 3.54Å; F264-L279 HydrophobicContact CB-CD2 4.19Å; F264-L279 HydrophobicContact CB-CG 3.79Å; F264-L279 HydrophobicContact CG-CD1 4.48Å; E277-L279 HydrophobicContact CG-CD2 4.07Å; E277-L279 PolarHBondContact O-N 2.74Å; L279-L296 HydrophobicContact CB-CD2 4.16Å; L279-L296 HydrophobicContact CD1-CD1 4.27Å; L279-Y304 HydrophobicContact CD1-CD1 3.72Å; L279-Y304 HydrophobicContact CD1-CE1 3.26Å
280F95.4Very high94.2Very high11 Ų1149.8 Ų49.85%0.04826%0.257CS..EExtended strand (participates in β ladder)trans-120.7124.1170.8-165.4-83.9000108.2A6 W7 W249 F260 V262 I283 F285A6-F280 HydrophobicContact CB-CD2 3.83Å; A6-F280 HydrophobicContact CB-CE2 4.31Å; A6-F280 HydrophobicContact CB-CG 4.37Å; W7-F280 AromaticContact NE1-CE2 3.97Å; W7-F280 AromaticContact NE1-CZ 3.53Å; W249-F280 HydrophobicContact CH2-CD2 4.33Å; W249-F280 HydrophobicContact CZ2-CD2 4.18Å; W249-F280 HydrophobicContact CZ2-CE2 4.31Å; F260-F280 AromaticContact CD1-CD1 3.79Å; F260-F280 HydrophobicContact CD1-CD1 3.79Å; F260-F280 AromaticContact CD1-CE1 3.92Å; F260-F280 HydrophobicContact CD1-CE1 3.92Å; F260-F280 AromaticContact CE1-CD1 3.9Å; F260-F280 HydrophobicContact CE1-CD1 3.9Å; F260-F280 HydrophobicContact CE1-CE1 4.24Å; F260-F280 HydrophobicContact CE1-CG 4.26Å; V262-F280 HydrophobicContact CB-CB 3.75Å; V262-F280 HydrophobicContact CG2-CB 3.83Å; V262-F280 PolarHBondContact N-O 3.06Å; V262-F280 PolarHBondContact O-N 3.1Å; F280-I283 HydrophobicContact CE1-CD1 4.19Å; F280-F285 HydrophobicContact CE1-CE2 4.32Å; F280-F285 HydrophobicContact CZ-CE2 4.41Å
281P93Very high94.5Very high26 Ų2649.6 Ų49.617%0.16926%0.255CS..EExtended strand (participates in β ladder)trans-66.4151.2-174.730-35.3000110.9I2 F3 A6 I283I2-P281 HydrophobicContact CG2-CB 4.39Å; F3-P281 HydrophobicContact CB-CG 4.37Å; F3-P281 HydrophobicContact CD2-CG 4.15Å; A6-P281 VanDerWaalsContact CB-CD 3.47Å; A6-P281 HydrophobicContact CB-CG 4.49Å; P281-I283 HydrophobicContact CG-CD1 3.95Å; P281-I283 HydrophobicContact CG-CG1 4.28Å; P281-I283 PolarHBondContact O-N 3.48Å; P281-I283 VanDerWaalsContact O-N 3.15Å
282Y94.4Very high94.9Very high96 Ų9643.5 Ų43.538%0.37622%0.218SC..EExtended strand (participates in β ladder)trans-58.2117.9172.9179.9-83.9000110.6F260 R284 D309 Y312F260-Y282 WeakPolarHBondContact O-CA 3.36Å; Y282-R284 HydrophobicContact CE1-CG 4Å; Y282-D309 HydrophobicContact CE2-CB 3.61Å; Y282-D309 WeakPolarHBondContact CE2-OD1 3.37Å; Y282-D309 PolarHBondContact OH-OD1 3.42Å; Y282-Y312 WeakPolarHBondContact OH-CD1 3.47Å
283I95Very high95.1Very high7 Ų743.6 Ų43.64%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-139.1141.2177.2-61.1179000109.1F3 W7 T116 L120 F260 F280 P281 F285F3-I283 HydrophobicContact CD2-CD1 4.47Å; F3-I283 HydrophobicContact CE2-CD1 4.4Å; W7-I283 HydrophobicContact CZ2-CD1 3.48Å; W7-I283 VanDerWaalsContact CZ2-CD1 3.48Å; W7-I283 VanDerWaalsContact NE1-CD1 3.28Å; T116-I283 HydrophobicContact CG2-CG2 3.59Å; L120-I283 HydrophobicContact CD1-CD1 4.22Å; L120-I283 HydrophobicContact CD2-CD1 3.98Å; L120-I283 HydrophobicContact CD2-CG1 4.35Å; F260-I283 PolarHBondContact N-O 2.68Å; F260-I283 PolarHBondContact O-N 2.64Å; F280-I283 HydrophobicContact CE1-CD1 4.19Å; P281-I283 HydrophobicContact CG-CD1 3.95Å; P281-I283 HydrophobicContact CG-CG1 4.28Å; P281-I283 PolarHBondContact O-N 3.48Å; P281-I283 VanDerWaalsContact O-N 3.15Å; I283-F285 HydrophobicContact CB-CD2 4.37Å; I283-F285 HydrophobicContact CB-CE2 3.89Å; I283-F285 HydrophobicContact CB-CZ 4.17Å; I283-F285 HydrophobicContact CD1-CZ 4.38Å; I283-F285 HydrophobicContact CG2-CD1 4.06Å; I283-F285 HydrophobicContact CG2-CD2 3.94Å; I283-F285 HydrophobicContact CG2-CE1 3.68Å; I283-F285 HydrophobicContact CG2-CE2 3.58Å; I283-F285 HydrophobicContact CG2-CG 4.21Å; I283-F285 HydrophobicContact CG2-CZ 3.5Å; I283-F285 VanDerWaalsContact CG2-CZ 3.5Å
284R94.6Very high95.2Very high90 Ų9043.4 Ų43.434%0.3422%0.219SC..EExtended strand (participates in β ladder)trans-95.8123.7171.2-73.3169.654-179.31.4109.7T116 D257 Y282 Y312T116-R284 PolarHBondContact OG1-O 2.97Å; D257-R284 IonicContact OD1-NH2 3.06Å; D257-R284 IonicContact OD2-CZ 2.68Å; D257-R284 IonicContact OD2-NE 3.58Å; D257-R284 PolarHBondContact OD2-NE 2.95Å; D257-R284 IonicContact OD2-NH2 2.85Å; D257-R284 PolarHBondContact OD2-NH2 3.18Å; Y282-R284 HydrophobicContact CE1-CG 4Å; R284-Y312 HydrophobicContact CG-CE1 4.07Å; R284-Y312 VanDerWaalsContact CZ-CD2 3.43Å; R284-Y312 VanDerWaalsContact NH2-CE2 3.31Å
285F93.2Very high95.3Very high1 Ų136.8 Ų36.80%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-122136.1176-67.7-66000110.4W7 Q60 T116 Y251 D257 I258 F280 I283 C287 I292W7-F285 AromaticContact CH2-CE1 3.88Å; W7-F285 HydrophobicContact CH2-CE1 3.88Å; W7-F285 AromaticContact CH2-CZ 3.73Å; W7-F285 HydrophobicContact CH2-CZ 3.73Å; W7-F285 AromaticContact CZ2-CE1 3.96Å; W7-F285 HydrophobicContact CZ2-CE1 3.96Å; W7-F285 HydrophobicContact CZ2-CE2 4.5Å; W7-F285 AromaticContact CZ2-CZ 3.41Å; W7-F285 HydrophobicContact CZ2-CZ 3.41Å; W7-F285 VanDerWaalsContact CZ2-CZ 3.41Å; Q60-F285 HydrophobicContact CB-CD1 3.89Å; Q60-F285 HydrophobicContact CB-CE1 3.44Å; Q60-F285 VanDerWaalsContact CB-CE1 3.44Å; Q60-F285 HydrophobicContact CB-CE2 4.33Å; Q60-F285 HydrophobicContact CB-CG 4.47Å; Q60-F285 HydrophobicContact CB-CZ 3.63Å; T116-F285 HydrophobicContact CG2-CE1 4.5Å; Y251-F285 WeakPolarHBondContact OH-CD2 3.35Å; D257-F285 WeakPolarHBondContact CA-O 3.5Å; D257-F285 WeakPolarHBondContact CB-O 3.48Å; I258-F285 PolarHBondContact N-O 2.68Å; I258-F285 PolarHBondContact O-N 2.61Å; F280-F285 HydrophobicContact CE1-CE2 4.32Å; F280-F285 HydrophobicContact CZ-CE2 4.41Å; I283-F285 HydrophobicContact CB-CD2 4.37Å; I283-F285 HydrophobicContact CB-CE2 3.89Å; I283-F285 HydrophobicContact CB-CZ 4.17Å; I283-F285 HydrophobicContact CD1-CZ 4.38Å; I283-F285 HydrophobicContact CG2-CD1 4.06Å; I283-F285 HydrophobicContact CG2-CD2 3.94Å; I283-F285 HydrophobicContact CG2-CE1 3.68Å; I283-F285 HydrophobicContact CG2-CE2 3.58Å; I283-F285 HydrophobicContact CG2-CG 4.21Å; I283-F285 HydrophobicContact CG2-CZ 3.5Å; I283-F285 VanDerWaalsContact CG2-CZ 3.5Å; F285-C287 PolarHBondContact O-N 2.84Å; F285-I292 HydrophobicContact CB-CD1 4.05Å; F285-I292 HydrophobicContact CB-CG1 4.01Å; F285-I292 HydrophobicContact CG-CD1 4.47Å
286E94.1Very high95.4Very high14 Ų1433.5 Ų33.57%0.06518%0.177CC..EExtended strand (participates in β ladder)trans-64.9124.9161.9-148.9-33.5134.900108.1S59 P109 E256 A288S59-E286 VanDerWaalsContact CB-O 3.27Å; S59-E286 WeakPolarHBondContact CB-O 3.35Å; S59-E286 PolarHBondContact OG-O 2.85Å; P109-E286 VanDerWaalsContact CA-CG 3.46Å; P109-E286 HydrophobicContact CB-CG 3.73Å; P109-E286 HydrophobicContact CG-CG 4.07Å; E256-E286 WeakPolarHBondContact CA-OE1 3.37Å; E256-E286 PolarHBondContact N-OE1 2.88Å; E286-A288 WeakPolarHBondContact OE2-CB 3.5Å; E286-A288 PolarHBondContact OE2-N 2.93Å
287C96.3Very high95.4Very high0 Ų037 Ų370%020%0.199CC..  trans-136.514.9-175.360.70000114.2Y251 K252 F285 I292Y251-C287 HydrophobicContact CD2-CB 4.18Å; Y251-C287 HydrophobicContact CE2-CB 3.95Å; K252-C287 VanDerWaalsContact CA-O 3.28Å; K252-C287 WeakPolarHBondContact CA-O 3.15Å; K252-C287 WeakPolarHBondContact CB-O 3.45Å; F285-C287 PolarHBondContact O-N 2.84Å; C287-I292 HydrophobicContact CB-CD1 4.43Å; C287-I292 HydrophobicContact CB-CG1 3.54Å
288A95.2Very high95.4Very high26 Ų2633.1 Ų33.122%0.21518%0.181CC..SBendtrans-83.5-32.9-17600000113.7T253 E286T253-A288 WeakPolarHBondContact O-CA 3.48Å; E286-A288 WeakPolarHBondContact OE2-CB 3.5Å; E286-A288 PolarHBondContact OE2-N 2.93Å
289L95.5Very high95.4Very high67 Ų6736.2 Ų36.235%0.35119%0.191SC..SBendtrans-88.4-40.5-179.5-65.3-178.6000113F54 T55 F107 P109 Y214F54-L289 HydrophobicContact CB-CD1 4.49Å; F54-L289 WeakPolarHBondContact O-CB 3.29Å; T55-L289 HydrophobicContact CG2-CD1 3.98Å; F107-L289 HydrophobicContact CE2-CD1 4.49Å; F107-L289 HydrophobicContact CZ-CD1 3.72Å; P109-L289 HydrophobicContact CB-CD1 4.17Å; P109-L289 HydrophobicContact CG-CD1 3.76Å; P109-L289 HydrophobicContact CG-CG 4.42Å; Y214-L289 WeakPolarHBondContact CD1-O 3.39Å
290V96.8Very high95.4Very high12 Ų1238.8 Ų38.87%0.07320%0.201CC..SBendtrans-136.2126.9178.9-173.20000107.1C57 Q58 Y214C57-V290 WeakPolarHBondContact O-CG2 3.28Å; Q58-V290 HydrophobicContact CG-CG1 3.99Å; Y214-V290 HydrophobicContact CD1-CG2 4.5Å; Y214-V290 HydrophobicContact CD2-CG1 4.19Å; Y214-V290 HydrophobicContact CG-CG1 4.06Å; Y214-V290 HydrophobicContact CG-CG2 4.27Å
291P97.3Very high95.4Very high5 Ų540.7 Ų40.73%0.03222%0.219CC..  trans-58.7147.2178.4-22.431.9000112Q58 Y214 K250 Y251 K252Q58-P291 WeakPolarHBondContact CG-O 3.4Å; Q58-P291 PolarHBondContact OE1-O 2.87Å; Y214-P291 VanDerWaalsContact CE1-CD 3.4Å; Y214-P291 HydrophobicContact CE1-CG 4.06Å; Y214-P291 HydrophobicContact CE2-CG 4.45Å; Y214-P291 WeakPolarHBondContact OH-CG 3.31Å; K250-P291 HydrophobicContact CG-CB 4.03Å; Y251-P291 CarbonylContact O-C 3.55Å; Y251-P291 VanDerWaalsContact O-CA 3.26Å; Y251-P291 WeakPolarHBondContact O-CA 3.26Å; Y251-P291 WeakPolarHBondContact O-CB 3.36Å; K252-P291 HydrophobicContact CB-CB 4.18Å; K252-P291 HydrophobicContact CB-CG 4.21Å; K252-P291 HydrophobicContact CD-CG 4.03Å
292I97.4Very high95.5Very high1 Ų140.6 Ų40.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-86.1127.5170.7-58.8-59.4000108.2Q58 S59 Q60 K250 Y251 F285 C287Q58-I292 HydrophobicContact CB-CD1 4.18Å; S59-I292 WeakPolarHBondContact OG-CD1 3.13Å; Q60-I292 HydrophobicContact CB-CD1 4.3Å; Q60-I292 HydrophobicContact CG-CD1 4.11Å; Q60-I292 HydrophobicContact CG-CG2 4.34Å; K250-I292 CarbonylContact C-O 3.38Å; K250-I292 WeakPolarHBondContact CA-O 3.47Å; Y251-I292 HydrophobicContact CD1-CB 4.06Å; Y251-I292 HydrophobicContact CD1-CG2 4.33Å; Y251-I292 HydrophobicContact CD2-CB 4.38Å; Y251-I292 HydrophobicContact CE1-CB 3.57Å; Y251-I292 HydrophobicContact CE1-CG1 4.45Å; Y251-I292 HydrophobicContact CE1-CG2 3.49Å; Y251-I292 VanDerWaalsContact CE1-CG2 3.49Å; Y251-I292 HydrophobicContact CE2-CB 3.91Å; Y251-I292 HydrophobicContact CE2-CG1 4Å; Y251-I292 HydrophobicContact CE2-CG2 4.49Å; Y251-I292 HydrophobicContact CG-CB 4.45Å; Y251-I292 VanDerWaalsContact CZ-CB 3.48Å; Y251-I292 PolarHBondContact N-O 2.93Å; Y251-I292 PolarHBondContact O-N 2.83Å; Y251-I292 WeakPolarHBondContact OH-CG2 3.33Å; F285-I292 HydrophobicContact CB-CD1 4.05Å; F285-I292 HydrophobicContact CB-CG1 4.01Å; F285-I292 HydrophobicContact CG-CD1 4.47Å; C287-I292 HydrophobicContact CB-CD1 4.43Å; C287-I292 HydrophobicContact CB-CG1 3.54Å
293E96.4Very high95.6Very high77 Ų7737.9 Ų37.936%0.3621%0.211SC..EExtended strand (participates in β ladder)trans-127.2132.8-178.9-175.7173-169.100110.6Q60 Y248 W249 K250Q60-E293 PolarHBondContact NE2-O 2.89Å; Y248-E293 HydrophobicContact CE2-CG 3.68Å; Y248-E293 WeakPolarHBondContact CE2-OE1 3.35Å; Y248-E293 VanDerWaalsContact CZ-OE1 3.27Å; Y248-E293 WeakPolarHBondContact OH-CG 3.48Å; Y248-E293 PolarHBondContact OH-OE1 2.86Å; W249-E293 WeakPolarHBondContact O-CA 3.38Å; K250-E293 HydrophobicContact CB-CG 4.47Å; K250-E293 HydrophobicContact CG-CB 4.23Å; K250-E293 HydrophobicContact CG-CG 4.46Å
294G95.6Very high95.7Very high16 Ų1637.7 Ų37.717%0.16521%0.21CC..EExtended strand (participates in β ladder)trans-160.8171.2179.200000112.3W249W249-G294 VanDerWaalsContact CE2-C 3.45Å; W249-G294 VanDerWaalsContact CE2-CA 3.49Å; W249-G294 PolarHBondContact N-O 3.14Å; W249-G294 PolarHBondContact O-N 2.85Å
295A95.4Very high95.9Very high44 Ų4433.5 Ų33.536%0.36419%0.194SC..EExtended strand (participates in β ladder)trans-151.8156.4176.900000110.8E246 L247 W249E246-A295 HydrophobicContact CG-CB 3.7Å; L247-A295 CarbonylContact O-C 3.55Å; L247-A295 WeakPolarHBondContact O-CA 3.32Å; W249-A295 VanDerWaalsContact CH2-C 3.46Å
296L95.1Very high96.1Very high30 Ų3033.5 Ų33.516%0.15719%0.194CC..EExtended strand (participates in β ladder)trans-138.6152.1167.267.583.4000111.1E246 L247 W249 V262 L279 Y304E246-L296 WeakPolarHBondContact CA-O 3.31Å; L247-L296 HydrophobicContact CB-CD1 4.29Å; L247-L296 HydrophobicContact CB-CG 4.37Å; L247-L296 PolarHBondContact N-O 3.18Å; L247-L296 PolarHBondContact O-N 3.47Å; W249-L296 HydrophobicContact CH2-CB 4.17Å; W249-L296 HydrophobicContact CH2-CD2 3.99Å; W249-L296 HydrophobicContact CH2-CG 4.2Å; W249-L296 HydrophobicContact CZ3-CB 4.21Å; W249-L296 HydrophobicContact CZ3-CD2 3.89Å; W249-L296 HydrophobicContact CZ3-CG 3.86Å; V262-L296 HydrophobicContact CB-CD2 4.19Å; V262-L296 HydrophobicContact CG1-CD2 3.97Å; V262-L296 HydrophobicContact CG2-CD2 4.44Å; L279-L296 HydrophobicContact CB-CD2 4.16Å; L279-L296 HydrophobicContact CD1-CD1 4.27Å; L296-Y304 HydrophobicContact CD1-CD1 4.48Å; L296-Y304 HydrophobicContact CD1-CE1 4.08Å
297V95Very high96.3Very high89 Ų8933.4 Ų33.454%0.53919%0.194SC..EExtended strand (participates in β ladder)trans-80.6124.3173.5-179.70000109.2E299V297-E299 PolarHBondContact O-N 2.69Å; V297-E299 VanDerWaalsContact O-N 3.09Å
298C96.3Very high96.4Very high0 Ų033.4 Ų33.40%019%0.194CC..  trans-74.892.4175.4-62.60000110.1V240 A243 G244 S245 K300 Y304V240-C298 HydrophobicContact CG1-CB 3.86Å; A243-C298 CarbonylContact C-O 3.58Å; A243-C298 WeakPolarHBondContact CA-O 3.24Å; G244-C298 PolarHBondContact N-O 3.07Å; S245-C298 WeakPolarHBondContact O-CB 3.4Å; S245-C298 PolarHBondContact O-N 2.69Å; C298-K300 PolarHBondContact O-N 2.81Å; C298-K300 VanDerWaalsContact O-N 3.15Å; C298-Y304 WeakPolarHBondContact CA-OH 2.99Å; C298-Y304 HydrophobicContact CB-CE1 4.06Å; C298-Y304 HydrophobicContact CB-CE2 3.92Å; C298-Y304 WeakPolarHBondContact CB-OH 3.15Å
299E95Very high96.4Very high116 Ų11632.7 Ų32.754%0.54219%0.187SC..  trans-63.6-18.6-178-67.7178.4179.600114.3K5 A243 V297 Y304K5-E299 WeakPolarHBondContact CE-OE1 3.33Å; K5-E299 IonicContact NZ-OE1 2.91Å; K5-E299 PolarHBondContact NZ-OE1 2.91Å; K5-E299 IonicContact NZ-OE2 2.73Å; K5-E299 PolarHBondContact NZ-OE2 3.39Å; A243-E299 WeakPolarHBondContact CB-O 3.47Å; V297-E299 PolarHBondContact O-N 2.69Å; V297-E299 VanDerWaalsContact O-N 3.09Å; E299-Y304 PolarHBondContact N-OH 2.86Å
300K95.8Very high96.4Very high87 Ų8729.5 Ų29.538%0.37817%0.17SC..SBendtrans-133.9151.4-176.8-61.9170.3-171.81660109.6F264 E277 C298 Y304F264-K300 HydrophobicContact CD1-CD 4.22Å; F264-K300 HydrophobicContact CE1-CB 4.26Å; F264-K300 HydrophobicContact CE1-CD 3.41Å; F264-K300 VanDerWaalsContact CE1-CD 3.41Å; F264-K300 HydrophobicContact CE1-CG 4.48Å; F264-K300 HydrophobicContact CE2-CB 3.83Å; F264-K300 HydrophobicContact CE2-CD 4.48Å; F264-K300 HydrophobicContact CZ-CB 3.55Å; F264-K300 HydrophobicContact CZ-CD 3.56Å; F264-K300 HydrophobicContact CZ-CG 4.22Å; E277-K300 IonicContact OE2-NZ 3.84Å; E277-K300 PolarHBondContact OE2-NZ 2.89Å; C298-K300 PolarHBondContact O-N 2.81Å; C298-K300 VanDerWaalsContact O-N 3.15Å; K300-Y304 PolarHBondContact N-OH 3.38Å; K300-Y304 WeakPolarHBondContact O-CE2 3.35Å; K300-Y304 PolarHBondContact O-OH 2.82Å
301A95.3Very high96.2Very high51 Ų5132 Ų3242%0.42119%0.187SC..SBendtrans-74.2148.5161.100000109.3V240 D241V240-A301 CarbonylContact O-C 3.57Å; V240-A301 WeakPolarHBondContact O-CA 3.17Å; V240-A301 WeakPolarHBondContact O-CB 3.3Å; D241-A301 WeakPolarHBondContact O-CB 3.29Å
302G95.6Very high95.7Very high23 Ų2334.2 Ų34.224%0.23720%0.195CC..EExtended strand (participates in β ladder)trans145.2-160-178.800000112.5V240V240-G302 PolarHBondContact N-O 3.12Å; V240-G302 PolarHBondContact O-N 2.82Å
303R96.5Very high95.1Very high39 Ų3934.7 Ų34.715%0.14720%0.199CC..EExtended strand (participates in β ladder)trans-96.8130.3-178.9-64.5-171.8-60.5151.60.8110.8E237 F264 T265 N267 E268 A270 I305E237-R303 IonicContact OE2-NH1 2.73Å; F264-R303 WeakPolarHBondContact CA-O 3.32Å; F264-R303 WeakPolarHBondContact CD2-O 3.47Å; T265-R303 HydrophobicContact CG2-CB 4.04Å; T265-R303 PolarHBondContact N-O 2.97Å; T265-R303 PolarHBondContact O-N 2.81Å; N267-R303 PolarHBondContact O-NH2 3.16Å; E268-R303 PolarHBondContact O-NH2 3.5Å; E268-R303 VanDerWaalsContact O-NH2 3.15Å; A270-R303 PolarHBondContact O-NH2 2.81Å; R303-I305 HydrophobicContact CB-CD1 4.23Å
304Y97.5Very high94.4Very high4 Ų441.4 Ų41.42%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-112133.3173.2-72.8-104.6000108.6I238 V240 L247 Y263 F264 L279 L296 C298 E299 K300I238-Y304 PolarHBondContact N-O 3.11Å; I238-Y304 PolarHBondContact O-N 3.4Å; V240-Y304 HydrophobicContact CB-CD2 3.89Å; V240-Y304 HydrophobicContact CB-CE2 3.85Å; V240-Y304 HydrophobicContact CG1-CE2 4.48Å; V240-Y304 HydrophobicContact CG2-CD2 3.45Å; V240-Y304 VanDerWaalsContact CG2-CD2 3.45Å; V240-Y304 HydrophobicContact CG2-CE2 3.81Å; V240-Y304 HydrophobicContact CG2-CG 4.22Å; L247-Y304 HydrophobicContact CD2-CD1 4.06Å; L247-Y304 HydrophobicContact CD2-CG 4.41Å; Y263-Y304 CarbonylContact O-C 3.58Å; Y263-Y304 WeakPolarHBondContact O-CA 3.41Å; F264-Y304 HydrophobicContact CB-CD1 4.48Å; F264-Y304 HydrophobicContact CB-CE1 4.33Å; F264-Y304 HydrophobicContact CD2-CD1 4.49Å; F264-Y304 HydrophobicContact CD2-CD2 4Å; F264-Y304 HydrophobicContact CD2-CE1 4.09Å; F264-Y304 AromaticContact CD2-CE2 3.53Å; F264-Y304 HydrophobicContact CD2-CE2 3.53Å; F264-Y304 HydrophobicContact CD2-CG 4.44Å; F264-Y304 AromaticContact CD2-CZ 3.55Å; F264-Y304 AromaticContact CE2-CE2 3.9Å; F264-Y304 HydrophobicContact CE2-CE2 3.9Å; L279-Y304 HydrophobicContact CD1-CD1 3.72Å; L279-Y304 HydrophobicContact CD1-CE1 3.26Å; L296-Y304 HydrophobicContact CD1-CD1 4.48Å; L296-Y304 HydrophobicContact CD1-CE1 4.08Å; C298-Y304 WeakPolarHBondContact CA-OH 2.99Å; C298-Y304 HydrophobicContact CB-CE1 4.06Å; C298-Y304 HydrophobicContact CB-CE2 3.92Å; C298-Y304 WeakPolarHBondContact CB-OH 3.15Å; E299-Y304 PolarHBondContact N-OH 2.86Å; K300-Y304 PolarHBondContact N-OH 3.38Å; K300-Y304 WeakPolarHBondContact O-CE2 3.35Å; K300-Y304 PolarHBondContact O-OH 2.82Å
305I97.7Very high93.8Very high2 Ų249.6 Ų49.61%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-119.9119.7-178.4-59.472.2000107.5L235 V236 E237 V262 Y263 T265 I273 M276 R303L235-I305 HydrophobicContact CB-CG2 4.16Å; L235-I305 HydrophobicContact CD2-CG2 4.15Å; V236-I305 WeakPolarHBondContact O-CA 3.44Å; E237-I305 HydrophobicContact CG-CG1 4.24Å; V262-I305 CarbonylContact C-O 3.56Å; V262-I305 WeakPolarHBondContact CA-O 3.47Å; Y263-I305 PolarHBondContact N-O 2.81Å; Y263-I305 PolarHBondContact O-N 2.66Å; T265-I305 HydrophobicContact CG2-CD1 4.25Å; I273-I305 HydrophobicContact CG2-CG2 4.02Å; M276-I305 HydrophobicContact CE-CD1 4.01Å; M276-I305 HydrophobicContact CE-CG1 4.32Å; M276-I305 HydrophobicContact SD-CD1 3.32Å; M276-I305 WeakPolarHBondContact SD-CD1 3.32Å; M276-I305 HydrophobicContact SD-CG1 3.83Å; R303-I305 HydrophobicContact CB-CD1 4.23Å
306V98Very high93.5Very high0 Ų049.6 Ų49.60%025%0.25CC..EExtended strand (participates in β ladder)trans-96.1122.2169.8-177.70000108V236 L247 F260 V262 F308 I324V236-V306 HydrophobicContact CB-CB 4.33Å; V236-V306 PolarHBondContact N-O 3.06Å; V236-V306 PolarHBondContact O-N 3.14Å; L247-V306 HydrophobicContact CD2-CG2 4.1Å; F260-V306 HydrophobicContact CD2-CG1 4.24Å; F260-V306 HydrophobicContact CE2-CG1 3.42Å; F260-V306 VanDerWaalsContact CE2-CG1 3.42Å; F260-V306 HydrophobicContact CZ-CG1 3.93Å; V262-V306 HydrophobicContact CG2-CG2 4.31Å; V306-F308 HydrophobicContact CG1-CE2 3.95Å; V306-F308 HydrophobicContact CG1-CZ 4.09Å; V306-I324 HydrophobicContact CB-CD1 4.27Å; V306-I324 HydrophobicContact CG1-CD1 3.89Å; V306-I324 HydrophobicContact CG2-CD1 4.13Å; V306-I324 HydrophobicContact CG2-CG1 4.5Å; V306-I324 HydrophobicContact CG2-CG2 4.17Å
307E98.1Very high93.5Very high12 Ų1250.2 Ų50.26%0.05626%0.259CS..EExtended strand (participates in β ladder)trans-102.5130.5178.2176.9177.7-136.600110.6N233 L235 F260 A261 Y263 I273 D309N233-E307 HydrophobicContact CB-CG 4.25Å; N233-E307 PolarHBondContact ND2-OE1 2.9Å; L235-E307 HydrophobicContact CD2-CB 3.71Å; L235-E307 HydrophobicContact CD2-CG 3.71Å; F260-E307 WeakPolarHBondContact CA-O 3.5Å; A261-E307 HydrophobicContact CB-CB 4.38Å; A261-E307 PolarHBondContact N-O 3.12Å; A261-E307 PolarHBondContact O-N 3.26Å; Y263-E307 HydrophobicContact CE2-CB 3.92Å; Y263-E307 PolarHBondContact OH-OE2 2.65Å; Y263-E307 VanDerWaalsContact OH-OE2 3.14Å; I273-E307 VanDerWaalsContact CD1-OE1 3.22Å; I273-E307 WeakPolarHBondContact CD1-OE1 3.32Å; E307-D309 HydrophobicContact CG-CB 4.17Å
308F98Very high93.5Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-110.5111.1162.7-63.5-77.4000109.2N233 H234 V236 Y251 I258 G259 F260 V306 L320 Y322 I324N233-F308 CarbonylContact C-O 3.57Å; N233-F308 VanDerWaalsContact CA-O 3.26Å; N233-F308 WeakPolarHBondContact CA-O 3.39Å; N233-F308 WeakPolarHBondContact CB-O 3.27Å; H234-F308 HydrophobicContact CB-CB 4.35Å; H234-F308 PolarHBondContact N-O 3.4Å; H234-F308 PolarHBondContact O-N 3.44Å; V236-F308 HydrophobicContact CG2-CD2 4.43Å; V236-F308 HydrophobicContact CG2-CE2 4.18Å; Y251-F308 AromaticContact CD1-CE1 3.71Å; Y251-F308 HydrophobicContact CD1-CE1 3.71Å; Y251-F308 HydrophobicContact CD1-CZ 4.27Å; Y251-F308 HydrophobicContact CD2-CD1 4.44Å; Y251-F308 AromaticContact CD2-CE1 3.87Å; Y251-F308 HydrophobicContact CD2-CE1 3.87Å; Y251-F308 HydrophobicContact CE1-CE1 4.26Å; Y251-F308 HydrophobicContact CE2-CE1 4.41Å; Y251-F308 HydrophobicContact CG-CD1 4.45Å; Y251-F308 AromaticContact CG-CE1 3.48Å; Y251-F308 HydrophobicContact CG-CE1 3.48Å; Y251-F308 VanDerWaalsContact CG-CE1 3.48Å; Y251-F308 HydrophobicContact CG-CZ 4.17Å; I258-F308 HydrophobicContact CD1-CB 3.88Å; I258-F308 HydrophobicContact CG1-CB 4.42Å; I258-F308 HydrophobicContact CG2-CD1 4.33Å; G259-F308 CarbonylContact O-C 2.97Å; G259-F308 WeakPolarHBondContact O-CA 3.49Å; F260-F308 HydrophobicContact CD2-CD1 4.08Å; F260-F308 AromaticContact CD2-CE1 3.67Å; F260-F308 HydrophobicContact CD2-CE1 3.67Å; F260-F308 HydrophobicContact CD2-CZ 4.31Å; F260-F308 AromaticContact CE2-CE1 3.99Å; F260-F308 HydrophobicContact CE2-CE1 3.99Å; F260-F308 HydrophobicContact CE2-CZ 4.19Å; V306-F308 HydrophobicContact CG1-CE2 3.95Å; V306-F308 HydrophobicContact CG1-CZ 4.09Å; F308-L320 HydrophobicContact CB-CD2 3.6Å; F308-L320 HydrophobicContact CD1-CD1 3.92Å; F308-L320 HydrophobicContact CD1-CD2 3.78Å; F308-L320 HydrophobicContact CD2-CD2 3.57Å; F308-L320 HydrophobicContact CE1-CD1 4.07Å; F308-L320 HydrophobicContact CE1-CD2 4.32Å; F308-L320 HydrophobicContact CE2-CD2 4.12Å; F308-L320 HydrophobicContact CG-CD1 4.37Å; F308-L320 HydrophobicContact CG-CD2 3.35Å; F308-L320 HydrophobicContact CZ-CD2 4.46Å; F308-Y322 HydrophobicContact CE2-CD1 4.21Å; F308-Y322 HydrophobicContact CE2-CD2 4.36Å; F308-Y322 AromaticContact CE2-CG 3.95Å; F308-Y322 HydrophobicContact CE2-CG 3.95Å; F308-Y322 HydrophobicContact CZ-CG 4.2Å; F308-I324 HydrophobicContact CE2-CD1 4.47Å; F308-I324 HydrophobicContact CZ-CD1 4.25Å
309D96.8Very high93.5Very high12 Ų1249.9 Ų49.96%0.06425%0.251CS..EExtended strand (participates in β ladder)trans-107.7130.4-169.9176.6-110.8000112.3N233 I258 G259 Y282 E307 C311 Y312N233-D309 HydrophobicContact CB-CB 4.43Å; I258-D309 WeakPolarHBondContact CG1-O 3.49Å; G259-D309 PolarHBondContact N-O 2.99Å; G259-D309 PolarHBondContact O-N 3.12Å; Y282-D309 HydrophobicContact CE2-CB 3.61Å; Y282-D309 WeakPolarHBondContact CE2-OD1 3.37Å; Y282-D309 PolarHBondContact OH-OD1 3.42Å; E307-D309 HydrophobicContact CG-CB 4.17Å; D309-C311 PolarHBondContact OD1-N 3.02Å; D309-C311 WeakPolarHBondContact OD2-CB 3.49Å; D309-C311 PolarHBondContact OD2-N 3.15Å; D309-C311 PolarHBondContact OD2-SG 2.88Å; D309-Y312 WeakPolarHBondContact O-CE1 2.94Å
310N95.7Very high93.6Very high0 Ų044.4 Ų44.40%023%0.226CC..  trans-123.622.9169.8-165.721.5000111.8V228 Y229 A230 G231 H232 Y312 S313 S316 K318V228-N310 HydrophobicContact CB-CB 4.28Å; V228-N310 HydrophobicContact CG1-CB 3.64Å; V228-N310 PolarHBondContact O-ND2 3.41Å; Y229-N310 PolarHBondContact O-ND2 3.01Å; A230-N310 PolarHBondContact N-ND2 3.31Å; G231-N310 PolarHBondContact N-O 2.79Å; H232-N310 CarbonylContact O-C 3.33Å; H232-N310 VanDerWaalsContact O-CA 3.32Å; H232-N310 WeakPolarHBondContact O-CA 3.45Å; H232-N310 WeakPolarHBondContact O-CB 3.39Å; H232-N310 PolarHBondContact O-N 2.88Å; N310-Y312 PolarHBondContact O-N 3.43Å; N310-S313 PolarHBondContact O-N 3.05Å; N310-S313 WeakPolarHBondContact OD1-CB 3.41Å; N310-S313 PolarHBondContact OD1-OG 2.89Å; N310-S316 PolarHBondContact ND2-O 3.23Å; N310-K318 HydrophobicContact CB-CD 4.21Å; N310-K318 WeakPolarHBondContact OD1-CE 3.5Å
311C91.8Very high93.7Very high64 Ų6440.6 Ų40.643%0.43221%0.21SC..THydrogen-bonded Turntrans-67.2-18.4179.8-69.40000113.6H232 D309H232-C311 PolarHBondContact O-N 2.8Å; D309-C311 PolarHBondContact OD1-N 3.02Å; D309-C311 WeakPolarHBondContact OD2-CB 3.49Å; D309-C311 PolarHBondContact OD2-N 3.15Å; D309-C311 PolarHBondContact OD2-SG 2.88Å
312Y86.8Confident93.9Very high51 Ų5139.4 Ų39.420%0.220%0.195CC..THydrogen-bonded Turntrans-82-21.1178.263.7-91.2000114D257 I258 Y282 R284 D309 N310 K318D257-Y312 VanDerWaalsContact C-OH 3.23Å; D257-Y312 PolarHBondContact O-OH 2.82Å; D257-Y312 WeakPolarHBondContact OD1-CE2 3.27Å; D257-Y312 PolarHBondContact OD1-OH 3.5Å; I258-Y312 VanDerWaalsContact CA-OH 3.31Å; I258-Y312 WeakPolarHBondContact CA-OH 3.19Å; I258-Y312 PolarHBondContact N-OH 3.15Å; Y282-Y312 WeakPolarHBondContact OH-CD1 3.47Å; R284-Y312 HydrophobicContact CG-CE1 4.07Å; R284-Y312 VanDerWaalsContact CZ-CD2 3.43Å; R284-Y312 VanDerWaalsContact NH2-CE2 3.31Å; D309-Y312 WeakPolarHBondContact O-CE1 2.94Å; N310-Y312 PolarHBondContact O-N 3.43Å; Y312-K318 VanDerWaalsContact OH-CE 3.24Å; Y312-K318 WeakPolarHBondContact OH-CE 3Å
313S84.6Confident94Very high12 Ų1239 Ų398%0.08419%0.187CC..  trans-83.7136.4177.8-57.80000110.3A230 G231 N310A230-S313 WeakPolarHBondContact CB-O 3.34Å; G231-S313 PolarHBondContact N-O 2.89Å; N310-S313 PolarHBondContact O-N 3.05Å; N310-S313 WeakPolarHBondContact OD1-CB 3.41Å; N310-S313 PolarHBondContact OD1-OG 2.89Å
314W81.4Confident94.1Very high218 Ų21838.3 Ų38.383%0.82619%0.187SC*.SBendtrans-93.5-23.1-179.7-67.513.6000113.1
315F84.1Confident94.1Very high188 Ų18842.1 Ų42.183%0.82520%0.201SC*.SBendtrans-134.6-33.4-168.8-52.6-71.5000114.2
316S88.8Confident94Very high44 Ų4444.1 Ų44.131%0.30821%0.213SC..  trans-92.8124.7-175.545.70000111.8E256 N310E256-S316 PolarHBondContact OE2-OG 3.42Å; N310-S316 PolarHBondContact ND2-O 3.23Å
317A94Very high93.9Very high42 Ų4247 Ų4735%0.34723%0.229SC..  trans-72.6157.9158.400000109.8T227 V228 Y229T227-A317 HydrophobicContact CG2-CB 3.87Å; V228-A317 WeakPolarHBondContact O-CA 3.26Å; Y229-A317 HydrophobicContact CD1-CB 3.95Å
318K94.7Very high93.6Very high3 Ų353.6 Ų53.61%0.01326%0.257CS..EExtended strand (participates in β ladder)trans-120.1122177.9-65.1178.3-174.6-69.10109.2V228 T253 E256 D257 I258 N310 Y312 L320V228-K318 PolarHBondContact N-O 2.7Å; V228-K318 PolarHBondContact O-N 2.72Å; T253-K318 HydrophobicContact CG2-CB 4.4Å; E256-K318 IonicContact OE2-NZ 3.66Å; E256-K318 PolarHBondContact OE2-NZ 2.87Å; D257-K318 WeakPolarHBondContact O-CD 3.48Å; D257-K318 WeakPolarHBondContact O-CE 3.46Å; D257-K318 PolarHBondContact O-NZ 3.26Å; D257-K318 IonicContact OD1-NZ 3.54Å; I258-K318 HydrophobicContact CB-CD 4.1Å; I258-K318 HydrophobicContact CD1-CB 4.39Å; I258-K318 HydrophobicContact CD1-CD 4.15Å; I258-K318 HydrophobicContact CG1-CD 3.98Å; N310-K318 HydrophobicContact CB-CD 4.21Å; N310-K318 WeakPolarHBondContact OD1-CE 3.5Å; Y312-K318 VanDerWaalsContact OH-CE 3.24Å; Y312-K318 WeakPolarHBondContact OH-CE 3Å; K318-L320 PolarHBondContact O-N 2.92Å
319E97.1Very high92.9Very high80 Ų8063.2 Ų63.237%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-80.6109.7170-54.4-53.9147.200107.7T227 T253 T254T227-E319 WeakPolarHBondContact CB-OE2 3.38Å; T227-E319 WeakPolarHBondContact CG2-OE1 3.32Å; T227-E319 PolarHBondContact OG1-OE1 3.21Å; T227-E319 PolarHBondContact OG1-OE2 2.98Å; T253-E319 CarbonylContact C-O 3.2Å; T253-E319 WeakPolarHBondContact CA-O 3.42Å; T254-E319 HydrophobicContact CG2-CB 3.68Å; T254-E319 HydrophobicContact CG2-CG 4.38Å; T254-E319 PolarHBondContact N-O 3.19Å
320L97.9Very high92.7Very high0 Ų065.8 Ų65.80%031%0.311CS..EExtended strand (participates in β ladder)trans-105.8128-174.6170.469.9000109.7E225 V226 V228 Y251 T253 I258 F308 K318 Y322E225-L320 CarbonylContact C-O 3.57Å; E225-L320 WeakPolarHBondContact CA-O 3.22Å; V226-L320 HydrophobicContact CG1-CB 3.9Å; V226-L320 HydrophobicContact CG1-CD2 3.7Å; V226-L320 HydrophobicContact CG1-CG 4.07Å; V226-L320 PolarHBondContact N-O 3.05Å; V226-L320 WeakPolarHBondContact O-CB 3.48Å; V226-L320 PolarHBondContact O-N 2.68Å; V228-L320 HydrophobicContact CG2-CB 4.09Å; V228-L320 HydrophobicContact CG2-CD2 3.96Å; Y251-L320 HydrophobicContact CD2-CD1 4.39Å; T253-L320 HydrophobicContact CG2-CD1 4.49Å; I258-L320 HydrophobicContact CD1-CB 4.47Å; I258-L320 HydrophobicContact CD1-CD1 4.28Å; I258-L320 HydrophobicContact CD1-CD2 4.29Å; F308-L320 HydrophobicContact CB-CD2 3.6Å; F308-L320 HydrophobicContact CD1-CD1 3.92Å; F308-L320 HydrophobicContact CD1-CD2 3.78Å; F308-L320 HydrophobicContact CD2-CD2 3.57Å; F308-L320 HydrophobicContact CE1-CD1 4.07Å; F308-L320 HydrophobicContact CE1-CD2 4.32Å; F308-L320 HydrophobicContact CE2-CD2 4.12Å; F308-L320 HydrophobicContact CG-CD1 4.37Å; F308-L320 HydrophobicContact CG-CD2 3.35Å; F308-L320 HydrophobicContact CZ-CD2 4.46Å; K318-L320 PolarHBondContact O-N 2.92Å; L320-Y322 HydrophobicContact CD2-CD1 3.85Å; L320-Y322 HydrophobicContact CG-CD1 4.04Å
321S98.2Very high92.5Very high7 Ų769.3 Ų69.35%0.04933%0.327CS..EExtended strand (participates in β ladder)trans-109.3123.8167.1-40.60000108.3T224 E225 Y251 K252T224-S321 CarbonylContact O-C 3.47Å; T224-S321 WeakPolarHBondContact O-CA 3.13Å; E225-S321 WeakPolarHBondContact OE1-CB 3.5Å; E225-S321 PolarHBondContact OE1-OG 2.97Å; E225-S321 VanDerWaalsContact OE1-OG 3.08Å; E225-S321 WeakPolarHBondContact OE2-CA 3.42Å; E225-S321 VanDerWaalsContact OE2-CB 3.26Å; E225-S321 WeakPolarHBondContact OE2-CB 3.48Å; E225-S321 PolarHBondContact OE2-OG 3.44Å; Y251-S321 CarbonylContact C-O 3.58Å; Y251-S321 VanDerWaalsContact CA-O 3.24Å; Y251-S321 WeakPolarHBondContact CA-O 3.49Å; K252-S321 PolarHBondContact N-O 2.75Å; K252-S321 PolarHBondContact O-N 3.25Å
322Y98.5Very high92.5Very high26 Ų2669.6 Ų69.610%0.10232%0.321CS..EExtended strand (participates in β ladder)trans-138.2156.6178.772.9-95.3000114.7T224 V226 H234 V236 K250 F308 L320 I324T224-Y322 HydrophobicContact CG2-CE1 3.74Å; T224-Y322 HydrophobicContact CG2-CE2 4.28Å; T224-Y322 PolarHBondContact N-O 2.96Å; T224-Y322 PolarHBondContact O-N 3.02Å; V226-Y322 HydrophobicContact CG1-CD1 4.2Å; V226-Y322 HydrophobicContact CG1-CE1 3.89Å; H234-Y322 AromaticContact CD2-CE1 3.75Å; H234-Y322 AromaticContact NE2-CE1 3.38Å; H234-Y322 WeakPolarHBondContact NE2-CE1 3.29Å; H234-Y322 AromaticContact NE2-CZ 3.55Å; H234-Y322 PolarHBondContact NE2-OH 3.12Å; H234-Y322 VanDerWaalsContact NE2-OH 3.12Å; V236-Y322 HydrophobicContact CG1-CE2 4.34Å; V236-Y322 HydrophobicContact CG2-CD2 4.45Å; V236-Y322 HydrophobicContact CG2-CE1 4.33Å; V236-Y322 HydrophobicContact CG2-CE2 3.7Å; K250-Y322 CarbonylContact O-C 3.52Å; K250-Y322 WeakPolarHBondContact O-CA 3.34Å; F308-Y322 HydrophobicContact CE2-CD1 4.21Å; F308-Y322 HydrophobicContact CE2-CD2 4.36Å; F308-Y322 AromaticContact CE2-CG 3.95Å; F308-Y322 HydrophobicContact CE2-CG 3.95Å; F308-Y322 HydrophobicContact CZ-CG 4.2Å; L320-Y322 HydrophobicContact CD2-CD1 3.85Å; L320-Y322 HydrophobicContact CG-CD1 4.04Å; Y322-I324 HydrophobicContact CD2-CG1 3.72Å; Y322-I324 HydrophobicContact CE2-CG1 4.06Å
323V98.3Very high92.9Very high14 Ų1470.6 Ų70.69%0.08533%0.328CS..EExtended strand (participates in β ladder)trans-126.1120.6165.9176.50000107.6E221 S222 Y223 Y248 W249 K250E221-V323 HydrophobicContact CB-CG2 4Å; S222-V323 WeakPolarHBondContact O-CG2 3.43Å; Y223-V323 HydrophobicContact CD1-CG2 3.87Å; Y223-V323 HydrophobicContact CE1-CG2 4.15Å; Y223-V323 HydrophobicContact CG-CG2 4.15Å; Y248-V323 HydrophobicContact CE1-CG1 4.29Å; W249-V323 CarbonylContact C-O 3.58Å; W249-V323 VanDerWaalsContact CA-O 3.29Å; W249-V323 WeakPolarHBondContact CA-O 3.36Å; K250-V323 HydrophobicContact CB-CB 4.45Å; K250-V323 PolarHBondContact N-O 3.4Å; K250-V323 PolarHBondContact O-N 3.45Å
324I98.2Very high93.4Very high25 Ų2574.3 Ų74.313%0.12834%0.344CS..EExtended strand (participates in β ladder)trans-121.1129.4169.1-54.9-58.1000107.7V236 I238 L247 Y248 W249 V306 F308 Y322V236-I324 HydrophobicContact CB-CG1 4.37Å; V236-I324 HydrophobicContact CG1-CB 4.18Å; V236-I324 HydrophobicContact CG1-CG1 4.07Å; V236-I324 HydrophobicContact CG1-CG2 4.39Å; V236-I324 HydrophobicContact CG2-CG1 4.45Å; I238-I324 HydrophobicContact CD1-CB 4.43Å; I238-I324 HydrophobicContact CD1-CG2 3.65Å; I238-I324 HydrophobicContact CG1-CG2 3.72Å; L247-I324 HydrophobicContact CD1-CG2 3.76Å; Y248-I324 WeakPolarHBondContact O-CA 3.34Å; W249-I324 HydrophobicContact CB-CD1 3.36Å; V306-I324 HydrophobicContact CB-CD1 4.27Å; V306-I324 HydrophobicContact CG1-CD1 3.89Å; V306-I324 HydrophobicContact CG2-CD1 4.13Å; V306-I324 HydrophobicContact CG2-CG1 4.5Å; V306-I324 HydrophobicContact CG2-CG2 4.17Å; F308-I324 HydrophobicContact CE2-CD1 4.47Å; F308-I324 HydrophobicContact CZ-CD1 4.25Å; Y322-I324 HydrophobicContact CD2-CG1 3.72Å; Y322-I324 HydrophobicContact CE2-CG1 4.06Å
325R96.6Very high94.2Very high85 Ų8564.7 Ų64.732%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-149160.9175.962.3-179.2170.7-124.6-0.6111.6E221 Y248E221-R325 IonicContact OE1-CZ 2.98Å; E221-R325 IonicContact OE1-NH1 2.64Å; E221-R325 PolarHBondContact OE1-NH1 3.2Å; E221-R325 IonicContact OE1-NH2 2.82Å; E221-R325 PolarHBondContact OE1-NH2 3.09Å; E221-R325 IonicContact OE2-CZ 2.88Å; E221-R325 IonicContact OE2-NH1 2.76Å; E221-R325 PolarHBondContact OE2-NH1 3.34Å; Y248-R325 HydrophobicContact CD1-CG 3.79Å; Y248-R325 VanDerWaalsContact CE1-NH2 3.29Å; Y248-R325 HydrophobicContact CG-CG 4.28Å; Y248-R325 PolarHBondContact N-O 2.9Å; Y248-R325 PolarHBondContact O-N 3.35Å; Y248-R325 VanDerWaalsContact O-N 3.08Å
326V97.4Very high94.9Very high43 Ų4355.9 Ų55.926%0.26128%0.275SS..EExtended strand (participates in β ladder)trans-111.1119.8172.9-177.90000108.7I238 V240 E246 L247I238-V326 HydrophobicContact CG2-CG2 3.22Å; V240-V326 HydrophobicContact CG2-CG1 4.29Å; V240-V326 HydrophobicContact CG2-CG2 3.94Å; E246-V326 CarbonylContact O-C 3.58Å; E246-V326 WeakPolarHBondContact O-CA 3.42Å; L247-V326 HydrophobicContact CD1-CG2 4.32Å
327N95Very high95.4Very high62 Ų6256.8 Ų56.833%0.33227%0.272SS..EExtended strand (participates in β ladder)trans-90112.3170-55.9-36000107.4S245 E246S245-N327 WeakPolarHBondContact CA-O 3.43Å; S245-N327 WeakPolarHBondContact CB-O 3.38Å; E246-N327 HydrophobicContact CB-CB 4.28Å; E246-N327 PolarHBondContact N-O 3.3Å; E246-N327 PolarHBondContact O-N 2.93Å; E246-N327 PolarHBondContact OE1-ND2 3.2Å
328K90.8Very high95.5Very high150 Ų15058.1 Ų58.165%0.65227%0.266SS*.  trans-68149.5178-65.6-171.2176.2-167.60110.6
329K83.1Confident95.6Very high202 Ų20263.1 Ų63.188%0.87829%0.289SS*.  trans-63.90-177.7-175.9177.1175.4-176.80113.3

Retrieved 329 of 329 residues in 282.7 ms (Link to these results)

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