A0A087YA46_POEFO Loading...

Tyrosine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A087YA46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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
1M34Very low80Confident243 Ų24394.8 Ų94.8100%1.19754%0.54SS*.  0104.70-72.2-163-93.400106.7G3M1-G3 PolarHBondContact O-N 3.44Å
2A44.1Very low81.3Confident107 Ų10794 Ų9488%0.88453%0.533SS*.PPolyproline II helixtrans-68.9126.4173.200000107.7
3G57.7Low82.4Confident69 Ų6989.5 Ų89.571%0.71151%0.506SS*.PPolyproline II helixtrans-59.2143.8-178.600000111.3M1 L5M1-G3 PolarHBondContact O-N 3.44Å; G3-L5 PolarHBondContact O-N 3.04Å
4Q79.5Confident83.5Confident183 Ų18383.1 Ų83.186%0.85547%0.47SS*.PPolyproline II helixtrans-66.1119.7175.2-147.8171.25.200108
5L90.1Very high84.4Confident58 Ų5879.3 Ų79.330%0.30445%0.449SS..PPolyproline II helixtrans-59.8137.5-179.4-67.3166.6000110.6G3 E9 K10 L13 R64G3-L5 PolarHBondContact O-N 3.04Å; L5-E9 HydrophobicContact CB-CB 4.29Å; L5-E9 HydrophobicContact CD2-CB 4.03Å; L5-K10 HydrophobicContact CB-CG 3.76Å; L5-K10 HydrophobicContact CD1-CG 4.46Å; L5-K10 WeakPolarHBondContact O-CE 3.22Å; L5-L13 HydrophobicContact CD1-CD1 3.69Å; L5-R64 WeakPolarHBondContact CD1-O 3.39Å
6S94.8Very high85Confident43 Ų4379.8 Ų79.830%0.30144%0.441SS..PPolyproline II helixtrans-65.8158.217265.40000111.4E8 E9 K10S6-E8 PolarHBondContact O-N 2.79Å; S6-E9 WeakPolarHBondContact CB-OE2 3.27Å; S6-E9 PolarHBondContact N-OE2 3.17Å; S6-E9 PolarHBondContact O-N 3.24Å; S6-E9 WeakPolarHBondContact OG-CB 2.95Å; S6-E9 VanDerWaalsContact OG-CD 3.28Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.39Å; S6-E9 PolarHBondContact OG-N 2.74Å; S6-E9 PolarHBondContact OG-OE2 3.19Å; S6-K10 WeakPolarHBondContact O-CG 3.41Å; S6-K10 PolarHBondContact O-N 2.76Å
7P94.8Very high85.5Confident59 Ų5978.5 Ų78.538%0.38343%0.434SS..Hα-helixtrans-54.3-34.5176.1-2836.2000113.7F11 L31P7-F11 WeakPolarHBondContact O-CB 3.21Å; P7-F11 PolarHBondContact O-N 2.7Å; P7-L31 HydrophobicContact CB-CB 4.33Å
8E94.9Very high86.1Confident142 Ų14275.6 Ų75.666%0.66442%0.417SS*.Hα-helixtrans-71.3-44.6178-172.7174.1-178.600112.1S6 K10 F11 N12S6-E8 PolarHBondContact O-N 2.79Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 3.27Å; E8-F11 PolarHBondContact O-N 3.23Å; E8-N12 WeakPolarHBondContact O-CB 3.37Å; E8-N12 VanDerWaalsContact O-CG 3.3Å; E8-N12 PolarHBondContact O-N 2.72Å; E8-N12 PolarHBondContact O-ND2 2.65Å
9E95.7Very high86.6Confident97 Ų9777.6 Ų77.645%0.45342%0.423SS..Hα-helixtrans-62.8-40.2174.9-70.2165.1132.500111.6L5 S6 N12 L13L5-E9 HydrophobicContact CB-CB 4.29Å; L5-E9 HydrophobicContact CD2-CB 4.03Å; S6-E9 WeakPolarHBondContact CB-OE2 3.27Å; S6-E9 PolarHBondContact N-OE2 3.17Å; S6-E9 PolarHBondContact O-N 3.24Å; S6-E9 WeakPolarHBondContact OG-CB 2.95Å; S6-E9 VanDerWaalsContact OG-CD 3.28Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.39Å; S6-E9 PolarHBondContact OG-N 2.74Å; S6-E9 PolarHBondContact OG-OE2 3.19Å; E9-N12 PolarHBondContact O-N 2.85Å; E9-L13 WeakPolarHBondContact O-CG 3.37Å; E9-L13 PolarHBondContact O-N 3.05Å
10K96.9Very high87.1Confident19 Ų1976.2 Ų76.28%0.08341%0.414CS..Hα-helixtrans-60.9-48.4173.6-70.8-177.1177.1-169.30111.1L5 S6 E8 N12 L13 I14 L31 E35 A65L5-K10 HydrophobicContact CB-CG 3.76Å; L5-K10 HydrophobicContact CD1-CG 4.46Å; L5-K10 WeakPolarHBondContact O-CE 3.22Å; S6-K10 WeakPolarHBondContact O-CG 3.41Å; S6-K10 PolarHBondContact O-N 2.76Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 3.27Å; K10-N12 VanDerWaalsContact C-N 3.33Å; K10-N12 PolarHBondContact O-N 3.05Å; K10-L13 PolarHBondContact O-N 3.43Å; K10-I14 WeakPolarHBondContact O-CB 3.45Å; K10-I14 WeakPolarHBondContact O-CD1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.45Å; K10-I14 PolarHBondContact O-N 3.16Å; K10-L31 HydrophobicContact CB-CD1 4.39Å; K10-L31 HydrophobicContact CB-CD2 4.23Å; K10-L31 HydrophobicContact CD-CD2 4.29Å; K10-E35 IonicContact NZ-OE1 3.29Å; K10-E35 PolarHBondContact NZ-OE1 3.26Å; K10-E35 IonicContact NZ-OE2 2.75Å; K10-E35 PolarHBondContact NZ-OE2 3.39Å; K10-A65 HydrophobicContact CB-CB 4.32Å; K10-A65 VanDerWaalsContact CD-O 3.3Å; K10-A65 WeakPolarHBondContact CD-O 3.33Å; K10-A65 VanDerWaalsContact CE-O 3.24Å; K10-A65 WeakPolarHBondContact CE-O 3.4Å; K10-A65 HydrophobicContact CG-CB 4.39Å; K10-A65 WeakPolarHBondContact CG-O 3.16Å
11F97.4Very high87.7Confident23 Ų2374.3 Ų74.310%0.10140%0.404CS..Hα-helixtrans-57.7-46.6178.4180-99.2000111.2P7 E8 L13 I14 T15 E24 V27 K28 L31P7-F11 WeakPolarHBondContact O-CB 3.21Å; P7-F11 PolarHBondContact O-N 2.7Å; E8-F11 PolarHBondContact O-N 3.23Å; F11-L13 PolarHBondContact O-N 3.35Å; F11-I14 PolarHBondContact O-N 2.92Å; F11-T15 HydrophobicContact CD2-CG2 4.11Å; F11-T15 HydrophobicContact CE1-CG2 4.09Å; F11-T15 HydrophobicContact CE2-CG2 3.61Å; F11-T15 HydrophobicContact CZ-CG2 3.58Å; F11-T15 WeakPolarHBondContact O-CG2 3.19Å; F11-T15 PolarHBondContact O-N 3.43Å; F11-T15 PolarHBondContact O-OG1 3.39Å; F11-E24 HydrophobicContact CE2-CG 3.8Å; F11-E24 HydrophobicContact CZ-CG 3.49Å; F11-E24 VanDerWaalsContact CZ-CG 3.49Å; F11-E24 WeakPolarHBondContact CZ-OE1 3.5Å; F11-V27 HydrophobicContact CD2-CG1 3.97Å; F11-V27 HydrophobicContact CE2-CB 4.4Å; F11-V27 HydrophobicContact CE2-CG1 4.23Å; F11-K28 HydrophobicContact CD2-CG 3.89Å; F11-K28 HydrophobicContact CE2-CG 3.98Å; F11-K28 HydrophobicContact CG-CG 4.37Å; F11-L31 HydrophobicContact CB-CD1 3.81Å; F11-L31 HydrophobicContact CD2-CD1 4.21Å
12N96.3Very high90.7Very high85 Ų8564.2 Ų64.246%0.45536%0.355SS..Hα-helixtrans-62-41.1178-71-23000112.6E8 E9 K10 T15 R16E8-N12 WeakPolarHBondContact O-CB 3.37Å; E8-N12 VanDerWaalsContact O-CG 3.3Å; E8-N12 PolarHBondContact O-N 2.72Å; E8-N12 PolarHBondContact O-ND2 2.65Å; E9-N12 PolarHBondContact O-N 2.85Å; K10-N12 VanDerWaalsContact C-N 3.33Å; K10-N12 PolarHBondContact O-N 3.05Å; N12-T15 PolarHBondContact O-N 3.38Å; N12-R16 VanDerWaalsContact O-CB 3.25Å; N12-R16 WeakPolarHBondContact O-CB 3.48Å; N12-R16 PolarHBondContact O-N 2.71Å
13L95.1Very high93.2Very high36 Ų3661 Ų6119%0.18833%0.332CS..Hα-helixtrans-64.7-41.2173.8-75.5177.5000112.2L5 E9 K10 F11 K58 D61 A65L5-L13 HydrophobicContact CD1-CD1 3.69Å; E9-L13 WeakPolarHBondContact O-CG 3.37Å; E9-L13 PolarHBondContact O-N 3.05Å; K10-L13 PolarHBondContact O-N 3.43Å; F11-L13 PolarHBondContact O-N 3.35Å; L13-K58 PolarHBondContact O-NZ 2.92Å; L13-D61 WeakPolarHBondContact O-CB 3.17Å; L13-A65 HydrophobicContact CB-CB 4.25Å; L13-A65 HydrophobicContact CD1-CB 4.48Å
14I97.2Very high95Very high0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-62.7-45.3178.4-70160.6000109.9K10 F11 L31 L36 K58 F62 A65 L210K10-I14 WeakPolarHBondContact O-CB 3.45Å; K10-I14 WeakPolarHBondContact O-CD1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.45Å; K10-I14 PolarHBondContact O-N 3.16Å; F11-I14 PolarHBondContact O-N 2.92Å; I14-L31 HydrophobicContact CD1-CD1 3.88Å; I14-L31 HydrophobicContact CD1-CD2 3.89Å; I14-L31 HydrophobicContact CD1-CG 4.46Å; I14-L36 HydrophobicContact CD1-CD2 4.07Å; I14-L36 HydrophobicContact CG2-CD2 4.43Å; I14-K58 WeakPolarHBondContact O-CE 3.29Å; I14-K58 PolarHBondContact O-NZ 3.03Å; I14-F62 HydrophobicContact CB-CD1 4.34Å; I14-F62 HydrophobicContact CB-CE1 4.33Å; I14-F62 HydrophobicContact CG1-CD1 4.08Å; I14-F62 HydrophobicContact CG2-CD1 4.2Å; I14-F62 HydrophobicContact CG2-CE1 3.85Å; I14-A65 HydrophobicContact CD1-CB 4.29Å; I14-A65 HydrophobicContact CG1-CB 3.98Å; I14-L210 HydrophobicContact CG2-CD1 3.73Å; I14-L210 HydrophobicContact CG2-CD2 4.37Å
15T97.3Very high95.7Very high26 Ų2658.2 Ų58.216%0.1630%0.301CS..Hα-helixtrans-94.7-16.1-170.161.50000115.6F11 N12 N17 L18 V21F11-T15 HydrophobicContact CD2-CG2 4.11Å; F11-T15 HydrophobicContact CE1-CG2 4.09Å; F11-T15 HydrophobicContact CE2-CG2 3.61Å; F11-T15 HydrophobicContact CZ-CG2 3.58Å; F11-T15 WeakPolarHBondContact O-CG2 3.19Å; F11-T15 PolarHBondContact O-N 3.43Å; F11-T15 PolarHBondContact O-OG1 3.39Å; N12-T15 PolarHBondContact O-N 3.38Å; T15-N17 PolarHBondContact O-N 3.12Å; T15-L18 WeakPolarHBondContact O-CB 3.5Å; T15-L18 WeakPolarHBondContact O-CG 3.39Å; T15-L18 PolarHBondContact O-N 2.68Å; T15-V21 HydrophobicContact CG2-CG2 3.93Å
16R94.6Very high96Very high86 Ų8658.9 Ų58.933%0.32530%0.301SS..THydrogen-bonded Turntrans-55.2141.5177.771.4-176-171.8164.44.8111.6N12 L18 K58 D61 P270N12-R16 VanDerWaalsContact O-CB 3.25Å; N12-R16 WeakPolarHBondContact O-CB 3.48Å; N12-R16 PolarHBondContact O-N 2.71Å; R16-L18 PolarHBondContact O-N 3.32Å; R16-L18 VanDerWaalsContact O-N 3.09Å; R16-K58 PolarHBondContact O-NZ 3.48Å; R16-D61 IonicContact CZ-OD1 2.75Å; R16-D61 IonicContact CZ-OD2 2.72Å; R16-D61 IonicContact NE-OD1 3.82Å; R16-D61 PolarHBondContact NE-OD1 2.7Å; R16-D61 IonicContact NE-OD2 2.68Å; R16-D61 PolarHBondContact NE-OD2 2.96Å; R16-D61 IonicContact NH2-OD1 2.91Å; R16-D61 PolarHBondContact NH2-OD1 2.96Å; R16-D61 IonicContact NH2-OD2 3.17Å; R16-P270 PolarHBondContact NH2-O 3.26Å
17N93Very high96Very high58 Ų5856.8 Ų56.831%0.3129%0.287SS..THydrogen-bonded Turntrans61.74.6180-61.6-34.8000116.2T15 P213 Y266T15-N17 PolarHBondContact O-N 3.12Å; N17-P213 WeakPolarHBondContact O-CD 3.2Å; N17-Y266 HydrophobicContact CB-CD1 4.06Å; N17-Y266 HydrophobicContact CB-CE1 4.18Å
18L96Very high96.1Very high26 Ų2657.1 Ų57.114%0.13628%0.282CS..  trans-73.2148.2167.7-60-174.8000109.8T15 R16 V21 K58 F183 L210 M211 N212T15-L18 WeakPolarHBondContact O-CB 3.5Å; T15-L18 WeakPolarHBondContact O-CG 3.39Å; T15-L18 PolarHBondContact O-N 2.68Å; R16-L18 PolarHBondContact O-N 3.32Å; R16-L18 VanDerWaalsContact O-N 3.09Å; L18-V21 HydrophobicContact CB-CG2 4.34Å; L18-V21 HydrophobicContact CD1-CG2 3.69Å; L18-K58 HydrophobicContact CD2-CD 4.19Å; L18-K58 HydrophobicContact CD2-CG 4.28Å; L18-F183 HydrophobicContact CD2-CD2 4.33Å; L18-F183 HydrophobicContact CD2-CE2 3.93Å; L18-L210 HydrophobicContact CD1-CB 3.72Å; L18-L210 HydrophobicContact CD1-CD2 3.83Å; L18-L210 HydrophobicContact CD1-CG 4.26Å; L18-M211 CarbonylContact C-O 3.58Å; L18-M211 WeakPolarHBondContact CA-O 3.47Å; L18-N212 WeakPolarHBondContact CD2-OD1 3.07Å
19Q96.1Very high96.2Very high114 Ų11455.8 Ų55.853%0.53328%0.276SS..SBendtrans-80.6-37.1172.3-178.8173.1-29.100111.3M211 P213Q19-M211 PolarHBondContact N-O 2.76Å; Q19-P213 HydrophobicContact CB-CB 4.05Å; Q19-P213 VanDerWaalsContact OE1-CA 3.27Å
20E97.4Very high96.3Very high50 Ų5051.8 Ų51.823%0.23426%0.258CS..EExtended strand (participates in β ladder)trans-151.3145.5-175.9-172.5177.5-172.400110.8L22 R189 M211E20-L22 HydrophobicContact CG-CD2 4.41Å; E20-R189 VanDerWaalsContact CD-NE 3.32Å; E20-R189 IonicContact OE1-CZ 2.71Å; E20-R189 IonicContact OE1-NE 3.98Å; E20-R189 PolarHBondContact OE1-NE 2.93Å; E20-R189 VanDerWaalsContact OE1-NE 3.08Å; E20-R189 IonicContact OE1-NH2 2.7Å; E20-R189 PolarHBondContact OE1-NH2 2.96Å; E20-R189 VanDerWaalsContact OE2-CD 3.29Å; E20-R189 WeakPolarHBondContact OE2-CD 3.49Å; E20-R189 IonicContact OE2-CZ 3.29Å; E20-R189 IonicContact OE2-NE 3.37Å; E20-R189 PolarHBondContact OE2-NE 3.27Å; E20-R189 IonicContact OE2-NH2 3.24Å; E20-M211 HydrophobicContact CB-CB 4.29Å; E20-M211 HydrophobicContact CB-CE 3.75Å; E20-M211 HydrophobicContact CG-CE 3.59Å; E20-M211 PolarHBondContact N-O 2.76Å; E20-M211 PolarHBondContact O-N 3.37Å
21V97.9Very high96.2Very high36 Ų3651.2 Ų51.222%0.21826%0.256CS..EExtended strand (participates in β ladder)trans-129.5119.9175.5177.30000108.4T15 L18 E24 H209 L210T15-V21 HydrophobicContact CG2-CG2 3.93Å; L18-V21 HydrophobicContact CB-CG2 4.34Å; L18-V21 HydrophobicContact CD1-CG2 3.69Å; V21-E24 HydrophobicContact CG1-CB 4.15Å; V21-H209 WeakPolarHBondContact CA-O 3.29Å; V21-L210 HydrophobicContact CG1-CD2 3.88Å; V21-L210 HydrophobicContact CG2-CD2 4.13Å
22L97.8Very high96.1Very high32 Ų3257.2 Ų57.217%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-101.3137.3170.5-56.8176.6000109.6E20 T193 E196 S208 H209 M211E20-L22 HydrophobicContact CG-CD2 4.41Å; L22-T193 HydrophobicContact CD1-CG2 4.21Å; L22-E196 WeakPolarHBondContact CB-OE1 3.33Å; L22-S208 CarbonylContact O-C 3.25Å; L22-S208 VanDerWaalsContact O-CA 3.23Å; L22-S208 WeakPolarHBondContact O-CA 3.17Å; L22-S208 VanDerWaalsContact O-CB 3.3Å; L22-S208 WeakPolarHBondContact O-CB 3.4Å; L22-H209 HydrophobicContact CB-CB 4.11Å; L22-H209 HydrophobicContact CD1-CB 4.31Å; L22-H209 HydrophobicContact CG-CB 4.49Å; L22-H209 PolarHBondContact N-O 3.26Å; L22-H209 PolarHBondContact O-N 2.98Å; L22-M211 HydrophobicContact CD1-CE 3.82Å; L22-M211 HydrophobicContact CG-CE 3.67Å
23G95.8Very high96.1Very high39 Ų3961 Ų6140%0.40230%0.3SS..SBendtrans74.335.7-179.300000114E25 K26 V27 S208G23-E25 VanDerWaalsContact C-N 3.34Å; G23-E25 PolarHBondContact O-N 3.44Å; G23-K26 WeakPolarHBondContact O-CB 3.38Å; G23-K26 PolarHBondContact O-N 3.42Å; G23-K26 VanDerWaalsContact O-N 3.16Å; G23-V27 PolarHBondContact O-N 3.19Å; G23-S208 PolarHBondContact O-OG 2.9Å
24E95.8Very high96.1Very high79 Ų7964.2 Ų64.237%0.36931%0.309SS..Hα-helixtrans-51.4-47.9179.4174.4169163.400113.2F11 V21 K26 V27 K28F11-E24 HydrophobicContact CE2-CG 3.8Å; F11-E24 HydrophobicContact CZ-CG 3.49Å; F11-E24 VanDerWaalsContact CZ-CG 3.49Å; F11-E24 WeakPolarHBondContact CZ-OE1 3.5Å; V21-E24 HydrophobicContact CG1-CB 4.15Å; E24-K26 VanDerWaalsContact C-N 3.25Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-V27 WeakPolarHBondContact O-CB 3.36Å; E24-V27 PolarHBondContact O-N 3.08Å; E24-K28 HydrophobicContact CG-CD 4.43Å; E24-K28 PolarHBondContact O-N 3.07Å; E24-K28 WeakPolarHBondContact OE1-CE 3.43Å; E24-K28 IonicContact OE1-NZ 2.76Å; E24-K28 PolarHBondContact OE1-NZ 3.19Å
25E95.3Very high96.1Very high114 Ų11466.3 Ų66.353%0.53332%0.319SS..Hα-helixtrans-61.4-35.4-178.5-66.5-55.9118.400112.4G23 K28 Q29G23-E25 VanDerWaalsContact C-N 3.34Å; G23-E25 PolarHBondContact O-N 3.44Å; E25-K28 PolarHBondContact O-N 3.13Å; E25-K28 IonicContact OE1-NZ 3.83Å; E25-K28 PolarHBondContact OE1-NZ 3.35Å; E25-Q29 WeakPolarHBondContact O-CB 3.23Å; E25-Q29 VanDerWaalsContact O-CG 3.28Å; E25-Q29 WeakPolarHBondContact O-CG 3.39Å; E25-Q29 PolarHBondContact O-N 2.58Å
26K95Very high96.1Very high72 Ų7265.1 Ų65.131%0.31331%0.311SS..Hα-helixtrans-68.1-37.4175.5-173.8170.7-179.3172.80111.6G23 E24 Q29 V30 K206G23-K26 WeakPolarHBondContact O-CB 3.38Å; G23-K26 PolarHBondContact O-N 3.42Å; G23-K26 VanDerWaalsContact O-N 3.16Å; E24-K26 VanDerWaalsContact C-N 3.25Å; E24-K26 PolarHBondContact O-N 2.98Å; K26-Q29 PolarHBondContact O-N 2.82Å; K26-V30 WeakPolarHBondContact O-CG2 3.49Å; K26-V30 PolarHBondContact O-N 3.08Å; K26-K206 PolarHBondContact NZ-O 3.45Å
27V96.8Very high96.3Very high0 Ų064.1 Ų64.10%031%0.309CS..Hα-helixtrans-62-48.2173.71790000110.1F11 G23 E24 Q29 V30 L31 L36 S208F11-V27 HydrophobicContact CD2-CG1 3.97Å; F11-V27 HydrophobicContact CE2-CB 4.4Å; F11-V27 HydrophobicContact CE2-CG1 4.23Å; G23-V27 PolarHBondContact O-N 3.19Å; E24-V27 WeakPolarHBondContact O-CB 3.36Å; E24-V27 PolarHBondContact O-N 3.08Å; V27-Q29 PolarHBondContact O-N 2.69Å; V27-V30 PolarHBondContact O-N 3.29Å; V27-L31 HydrophobicContact CG1-CD1 3.81Å; V27-L31 HydrophobicContact CG1-CG 4.28Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.41Å; V27-L31 PolarHBondContact O-N 3.31Å; V27-L36 HydrophobicContact CG1-CD1 4.37Å; V27-L36 HydrophobicContact CG1-CD2 3.99Å; V27-S208 WeakPolarHBondContact CG2-OG 3.47Å
28K96.6Very high96.6Very high66 Ų6661.3 Ų61.329%0.28730%0.295SS..Hα-helixtrans-59.3-44.6178.1-69.1177.4-173.5157.50112.2F11 E24 E25 L31 Q32F11-K28 HydrophobicContact CD2-CG 3.89Å; F11-K28 HydrophobicContact CE2-CG 3.98Å; F11-K28 HydrophobicContact CG-CG 4.37Å; E24-K28 HydrophobicContact CG-CD 4.43Å; E24-K28 PolarHBondContact O-N 3.07Å; E24-K28 WeakPolarHBondContact OE1-CE 3.43Å; E24-K28 IonicContact OE1-NZ 2.76Å; E24-K28 PolarHBondContact OE1-NZ 3.19Å; E25-K28 PolarHBondContact O-N 3.13Å; E25-K28 IonicContact OE1-NZ 3.83Å; E25-K28 PolarHBondContact OE1-NZ 3.35Å; K28-L31 PolarHBondContact O-N 3.49Å; K28-Q32 WeakPolarHBondContact O-CG 3.4Å; K28-Q32 PolarHBondContact O-N 3.06Å; K28-Q32 VanDerWaalsContact O-N 3.17Å
29Q96.4Very high96.7Very high113 Ų11360.2 Ų60.253%0.52829%0.288SS..Hα-helixtrans-59.5-48.5176.3-74.7172.30.500111.7E25 K26 V27 L31 Q32E25-Q29 WeakPolarHBondContact O-CB 3.23Å; E25-Q29 VanDerWaalsContact O-CG 3.28Å; E25-Q29 WeakPolarHBondContact O-CG 3.39Å; E25-Q29 PolarHBondContact O-N 2.58Å; K26-Q29 PolarHBondContact O-N 2.82Å; V27-Q29 PolarHBondContact O-N 2.69Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 2.88Å; Q29-Q32 WeakPolarHBondContact O-CB 3.33Å; Q29-Q32 PolarHBondContact O-N 2.79Å
30V96.9Very high96.8Very high13 Ų1355.5 Ų55.58%0.07927%0.266CS..Hα-helixtrans-60.1-43.5178.31730000111K26 V27 Q32 E33 R34 L36K26-V30 WeakPolarHBondContact O-CG2 3.49Å; K26-V30 PolarHBondContact O-N 3.08Å; V27-V30 PolarHBondContact O-N 3.29Å; V30-Q32 PolarHBondContact O-N 2.73Å; V30-E33 PolarHBondContact O-N 2.8Å; V30-R34 HydrophobicContact CG1-CG 4.08Å; V30-R34 CarbonylContact O-C 3.54Å; V30-R34 PolarHBondContact O-N 2.96Å; V30-L36 HydrophobicContact CB-CD1 4.1Å; V30-L36 HydrophobicContact CG1-CB 4.49Å; V30-L36 HydrophobicContact CG1-CD1 3.85Å
31L96.4Very high96.8Very high8 Ų854 Ų544%0.04226%0.264CS..Hα-helixtrans-66.2-20.6-179.5-69173.9000114.2P7 K10 F11 I14 V27 K28 Q29 L36P7-L31 HydrophobicContact CB-CB 4.33Å; K10-L31 HydrophobicContact CB-CD1 4.39Å; K10-L31 HydrophobicContact CB-CD2 4.23Å; K10-L31 HydrophobicContact CD-CD2 4.29Å; F11-L31 HydrophobicContact CB-CD1 3.81Å; F11-L31 HydrophobicContact CD2-CD1 4.21Å; I14-L31 HydrophobicContact CD1-CD1 3.88Å; I14-L31 HydrophobicContact CD1-CD2 3.89Å; I14-L31 HydrophobicContact CD1-CG 4.46Å; V27-L31 HydrophobicContact CG1-CD1 3.81Å; V27-L31 HydrophobicContact CG1-CG 4.28Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.41Å; V27-L31 PolarHBondContact O-N 3.31Å; K28-L31 PolarHBondContact O-N 3.49Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 2.88Å; L31-L36 HydrophobicContact CD2-CB 4.05Å
32Q95.2Very high96.7Very high148 Ų14852.6 Ų52.669%0.69226%0.256SS*.Hα-helixtrans-75.1-27172.5-72.1175.83.300112.3K28 Q29 V30K28-Q32 WeakPolarHBondContact O-CG 3.4Å; K28-Q32 PolarHBondContact O-N 3.06Å; K28-Q32 VanDerWaalsContact O-N 3.17Å; Q29-Q32 WeakPolarHBondContact O-CB 3.33Å; Q29-Q32 PolarHBondContact O-N 2.79Å; V30-Q32 PolarHBondContact O-N 2.73Å
33E95.1Very high96.3Very high166 Ų16652.2 Ų52.278%0.77626%0.257SS*.Hα-helixtrans-104.8-39.1-172.7-63.7179.9-177.500113.1V30V30-E33 PolarHBondContact O-N 2.8Å
34R96.1Very high96Very high103 Ų10350.3 Ų50.339%0.38924%0.238SC..SBendtrans-161-179.3-173.362.1172.3177.781.1-1.7112.7V30 D180V30-R34 HydrophobicContact CG1-CG 4.08Å; V30-R34 CarbonylContact O-C 3.54Å; V30-R34 PolarHBondContact O-N 2.96Å; R34-D180 IonicContact CZ-OD1 2.7Å; R34-D180 IonicContact CZ-OD2 3.97Å; R34-D180 IonicContact NH1-OD1 2.65Å; R34-D180 IonicContact NH1-OD2 3.66Å; R34-D180 PolarHBondContact NH1-OD2 2.94Å; R34-D180 VanDerWaalsContact NH2-CG 3.32Å; R34-D180 IonicContact NH2-OD1 2.87Å; R34-D180 PolarHBondContact NH2-OD1 2.68Å; R34-D180 IonicContact NH2-OD2 2.65Å; R34-D180 PolarHBondContact NH2-OD2 3.18Å
35E96.4Very high95.5Very high43 Ų4348.3 Ų48.320%0.20123%0.231CC..PPolyproline II helixtrans-71.8141.5172.6-55.1-61.917200111.6K10 G66 K114K10-E35 IonicContact NZ-OE1 3.29Å; K10-E35 PolarHBondContact NZ-OE1 3.26Å; K10-E35 IonicContact NZ-OE2 2.75Å; K10-E35 PolarHBondContact NZ-OE2 3.39Å; E35-G66 WeakPolarHBondContact CG-O 3.46Å; E35-K114 IonicContact OE1-NZ 3.91Å
36L98.2Very high95Very high1 Ų143.8 Ų43.81%0.00522%0.215CC..PPolyproline II helixtrans-74135.3176.5-171.174000110.5I14 V27 V30 L31 V38 C67 E68 D180 A181I14-L36 HydrophobicContact CD1-CD2 4.07Å; I14-L36 HydrophobicContact CG2-CD2 4.43Å; V27-L36 HydrophobicContact CG1-CD1 4.37Å; V27-L36 HydrophobicContact CG1-CD2 3.99Å; V30-L36 HydrophobicContact CB-CD1 4.1Å; V30-L36 HydrophobicContact CG1-CB 4.49Å; V30-L36 HydrophobicContact CG1-CD1 3.85Å; L31-L36 HydrophobicContact CD2-CB 4.05Å; L36-V38 HydrophobicContact CB-CG2 4.49Å; L36-V38 HydrophobicContact CD2-CG2 3.48Å; L36-V38 VanDerWaalsContact CD2-CG2 3.48Å; L36-V38 HydrophobicContact CG-CG2 3.74Å; L36-C67 CarbonylContact O-C 3.25Å; L36-C67 VanDerWaalsContact O-CA 3.27Å; L36-C67 WeakPolarHBondContact O-CA 3.48Å; L36-C67 VanDerWaalsContact O-CB 3.31Å; L36-C67 WeakPolarHBondContact O-CB 3.27Å; L36-E68 PolarHBondContact O-N 3.26Å; L36-D180 HydrophobicContact CD1-CB 3.61Å; L36-D180 HydrophobicContact CG-CB 4.43Å; L36-A181 HydrophobicContact CD2-CB 4.5Å
37K98.7Very high94.8Very high65 Ų6543.4 Ų43.428%0.28321%0.213SC..EExtended strand (participates in β ladder)trans-98.5117.4172-60.3-178.4179.7-178.80109.6E68 V179 D180 A181K37-E68 WeakPolarHBondContact CA-O 3.36Å; K37-E68 VanDerWaalsContact CE-OE2 3.28Å; K37-E68 WeakPolarHBondContact CE-OE2 3.42Å; K37-E68 HydrophobicContact CG-CB 4.08Å; K37-V179 HydrophobicContact CB-CB 4.48Å; K37-V179 HydrophobicContact CB-CG1 4.45Å; K37-D180 WeakPolarHBondContact CB-OD2 3.39Å; K37-D180 PolarHBondContact N-OD2 3Å; K37-D180 PolarHBondContact O-N 3.18Å; K37-A181 PolarHBondContact O-N 3.25Å; K37-A181 VanDerWaalsContact O-N 3.1Å
38V98.6Very high94.5Very high0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-123.1140.2-176.8-1720000109.3L36 F62 E68 V69 T70 A181 F183 L210L36-V38 HydrophobicContact CB-CG2 4.49Å; L36-V38 HydrophobicContact CD2-CG2 3.48Å; L36-V38 VanDerWaalsContact CD2-CG2 3.48Å; L36-V38 HydrophobicContact CG-CG2 3.74Å; V38-F62 HydrophobicContact CG1-CD2 4.19Å; V38-F62 HydrophobicContact CG1-CE2 3.99Å; V38-E68 PolarHBondContact N-O 2.94Å; V38-V69 CarbonylContact O-C 3.56Å; V38-V69 WeakPolarHBondContact O-CA 3.41Å; V38-T70 PolarHBondContact O-N 2.69Å; V38-A181 VanDerWaalsContact CA-O 3.31Å; V38-A181 WeakPolarHBondContact CA-O 3.38Å; V38-A181 HydrophobicContact CG2-CB 4.28Å; V38-F183 HydrophobicContact CG1-CB 3.96Å; V38-L210 HydrophobicContact CG1-CD1 4.43Å
39Y98.6Very high94.2Very high2 Ų241.3 Ų41.31%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-118.8155.9163.287.4-71.1000114T70 L72 Q170 D173 E174 L177 V179 A181 Q182 F183Y39-T70 CarbonylContact C-O 3.59Å; Y39-T70 WeakPolarHBondContact CA-O 3.49Å; Y39-T70 VanDerWaalsContact CB-O 3.27Å; Y39-T70 WeakPolarHBondContact CB-O 3.28Å; Y39-L72 HydrophobicContact CD2-CB 4.24Å; Y39-L72 HydrophobicContact CE2-CD2 4.37Å; Y39-Q170 PolarHBondContact OH-O 2.94Å; Y39-Q170 VanDerWaalsContact OH-O 3.04Å; Y39-D173 HydrophobicContact CE2-CB 4.26Å; Y39-E174 HydrophobicContact CE1-CB 4.38Å; Y39-E174 HydrophobicContact CE1-CG 3.76Å; Y39-L177 HydrophobicContact CD1-CD1 4.34Å; Y39-L177 HydrophobicContact CD2-CD1 3.52Å; Y39-L177 HydrophobicContact CE2-CD1 3.95Å; Y39-L177 HydrophobicContact CG-CD1 3.71Å; Y39-V179 HydrophobicContact CD1-CB 4.24Å; Y39-V179 HydrophobicContact CD1-CG1 4.15Å; Y39-V179 HydrophobicContact CD1-CG2 3.45Å; Y39-V179 VanDerWaalsContact CD1-CG2 3.45Å; Y39-V179 HydrophobicContact CE1-CG2 3.84Å; Y39-A181 PolarHBondContact N-O 2.91Å; Y39-A181 VanDerWaalsContact N-O 3.07Å; Y39-Q182 HydrophobicContact CD1-CB 4.01Å; Y39-Q182 HydrophobicContact CD1-CG 4.05Å; Y39-Q182 HydrophobicContact CE1-CB 3.49Å; Y39-Q182 VanDerWaalsContact CE1-CB 3.49Å; Y39-Q182 HydrophobicContact CE1-CG 3.46Å; Y39-Q182 VanDerWaalsContact CE1-CG 3.46Å; Y39-Q182 HydrophobicContact CE2-CG 4.22Å; Y39-Q182 PolarHBondContact OH-NE2 3.18Å; Y39-Q182 PolarHBondContact OH-OE1 3.1Å; Y39-F183 PolarHBondContact O-N 3.1Å
40W98.7Very high94Very high15 Ų1536 Ų366%0.05718%0.18CC..EExtended strand (participates in β ladder)trans-130126.7170.1174.164.5000109T42 Y52 P55 M56 I59 T70 I71 L72 I101 F183W40-T42 HydrophobicContact CH2-CG2 4.02Å; W40-T42 HydrophobicContact CZ3-CG2 3.89Å; W40-Y52 HydrophobicContact CH2-CD1 4.02Å; W40-Y52 AromaticContact CH2-CE1 3.74Å; W40-Y52 HydrophobicContact CH2-CE1 3.74Å; W40-Y52 HydrophobicContact CZ2-CE1 4.31Å; W40-P55 HydrophobicContact CH2-CG 4.48Å; W40-P55 HydrophobicContact CZ2-CB 3.89Å; W40-P55 HydrophobicContact CZ2-CG 3.93Å; W40-M56 HydrophobicContact CD2-CE 4.44Å; W40-M56 HydrophobicContact CE3-CE 3.7Å; W40-M56 HydrophobicContact CH2-CE 3.52Å; W40-M56 HydrophobicContact CZ2-CE 4.29Å; W40-M56 HydrophobicContact CZ3-CE 3.19Å; W40-I59 HydrophobicContact CB-CD1 3.89Å; W40-I59 HydrophobicContact CG-CD1 4.36Å; W40-T70 PolarHBondContact N-O 3.26Å; W40-I71 HydrophobicContact CE3-CB 4.41Å; W40-I71 HydrophobicContact CE3-CD1 3.83Å; W40-I71 HydrophobicContact CE3-CG1 3.96Å; W40-I71 HydrophobicContact CE3-CG2 3.73Å; W40-I71 HydrophobicContact CZ3-CD1 4.11Å; W40-I71 HydrophobicContact CZ3-CG2 3.93Å; W40-I71 WeakPolarHBondContact O-CA 3.5Å; W40-L72 PolarHBondContact O-N 3.11Å; W40-I101 HydrophobicContact CH2-CD1 4.47Å; W40-I101 HydrophobicContact CZ3-CD1 3.97Å; W40-F183 HydrophobicContact CB-CD1 3.98Å; W40-F183 AromaticContact CD1-CD1 3.6Å; W40-F183 AromaticContact CD1-CE1 3.95Å; W40-F183 AromaticContact CG-CD1 3.89Å; W40-F183 HydrophobicContact CG-CD1 3.89Å; W40-F183 HydrophobicContact CG-CE1 4.36Å
41G97.4Very high93.6Very high20 Ų2036.3 Ų36.321%0.20618%0.184CC..EExtended strand (participates in β ladder)trans-94.1137.1176.900000111.7
42T95.1Very high93.5Very high5 Ų538 Ų383%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-135.3126.1172-173.80000110.8W40 Y52 I71 L72 F73 A74 Y97 I101W40-T42 HydrophobicContact CH2-CG2 4.02Å; W40-T42 HydrophobicContact CZ3-CG2 3.89Å; T42-Y52 PolarHBondContact OG1-OH 2.82Å; T42-I71 HydrophobicContact CG2-CG2 4.17Å; T42-L72 PolarHBondContact N-O 3.46Å; T42-F73 HydrophobicContact CG2-CD1 3.92Å; T42-F73 HydrophobicContact CG2-CE1 4.09Å; T42-A74 PolarHBondContact O-N 3.25Å; T42-Y97 HydrophobicContact CG2-CD1 4.17Å; T42-Y97 HydrophobicContact CG2-CE1 4.46Å; T42-I101 HydrophobicContact CG2-CD1 4.25Å
43A90.3Very high93.4Very high24 Ų2431 Ų3120%0.19816%0.157CC..  trans-75.7131.8174.400000110.2T45 A78 Y97A43-T45 HydrophobicContact CB-CG2 4.33Å; A43-T45 PolarHBondContact O-N 2.88Å; A43-A78 HydrophobicContact CB-CB 4.39Å; A43-Y97 PolarHBondContact O-OH 3.48Å; A43-Y97 VanDerWaalsContact O-OH 3.09Å
44T89.4Confident93.3Very high0 Ų023.8 Ų23.80%013%0.125CC..SBendtrans-87.548.8-174.151.40000112.6F73 R93 V94 Y97T44-F73 HydrophobicContact CG2-CB 4.06Å; T44-F73 HydrophobicContact CG2-CD1 3.95Å; T44-F73 HydrophobicContact CG2-CG 4.41Å; T44-R93 WeakPolarHBondContact O-CB 3.34Å; T44-R93 VanDerWaalsContact O-CD 3.25Å; T44-R93 WeakPolarHBondContact O-CD 3.29Å; T44-V94 HydrophobicContact CG2-CB 4.47Å; T44-V94 HydrophobicContact CG2-CG2 3.86Å; T44-Y97 HydrophobicContact CG2-CD1 4.26Å; T44-Y97 HydrophobicContact CG2-CD2 4.01Å; T44-Y97 HydrophobicContact CG2-CE2 4.4Å; T44-Y97 HydrophobicContact CG2-CG 3.9Å
45T85.2Confident93.3Very high37 Ų3719.9 Ų19.923%0.22711%0.113CC..  trans-91.4-85.4-174.756.30000112.5A43 A78 N82 R93A43-T45 HydrophobicContact CB-CG2 4.33Å; A43-T45 PolarHBondContact O-N 2.88Å; T45-A78 HydrophobicContact CG2-CB 3.67Å; T45-N82 HydrophobicContact CG2-CB 4.07Å; T45-R93 WeakPolarHBondContact O-CD 3.49Å; T45-R93 VanDerWaalsContact O-CZ 3.29Å; T45-R93 PolarHBondContact O-NH1 2.93Å
46G84.8Confident93.4Very high19 Ų1917.9 Ų17.920%0.19610%0.103CC..SBendtrans-71.5179.9-177.900000113.1P48 Y97 Y341G46-P48 WeakPolarHBondContact O-CD 3.24Å; G46-Y97 VanDerWaalsContact O-CE2 3.28Å; G46-Y97 WeakPolarHBondContact O-CE2 3.4Å; G46-Y97 PolarHBondContact O-OH 2.95Å; G46-Y341 PolarHBondContact O-OH 3.48Å
47K89.2Confident93.2Very high63 Ų6317.9 Ų17.927%0.27410%0.104SC..  trans-86.2124.6170.8-165.7173.7173.1-145.80109.6Y96 D233 Y341K47-Y96 WeakPolarHBondContact CE-OH 3.47Å; K47-Y96 HydrophobicContact CG-CE1 4.27Å; K47-D233 WeakPolarHBondContact CD-OD2 3.49Å; K47-D233 WeakPolarHBondContact CE-OD1 3.4Å; K47-D233 WeakPolarHBondContact CE-OD2 3.47Å; K47-D233 IonicContact NZ-OD1 3.05Å; K47-D233 PolarHBondContact NZ-OD1 2.79Å; K47-D233 IonicContact NZ-OD2 3.79Å; K47-D233 PolarHBondContact NZ-OD2 3.26Å; K47-Y341 HydrophobicContact CB-CD1 4.05Å; K47-Y341 HydrophobicContact CB-CE1 3.84Å; K47-Y341 HydrophobicContact CB-CE2 4.32Å; K47-Y341 HydrophobicContact CB-CG 4.37Å; K47-Y341 HydrophobicContact CD-CD2 4.19Å; K47-Y341 HydrophobicContact CD-CG 4.27Å; K47-Y341 HydrophobicContact CG-CD2 4.16Å; K47-Y341 HydrophobicContact CG-CE1 4.46Å; K47-Y341 HydrophobicContact CG-CE2 4.05Å; K47-Y341 HydrophobicContact CG-CG 4.41Å
48P91.8Very high93.2Very high1 Ų115.1 Ų15.11%0.0069%0.092CC..  trans-54.3139.4173.4-29.635.1000113.1G46 Y52 Y96 Y97 V100 L234G46-P48 WeakPolarHBondContact O-CD 3.24Å; P48-Y52 HydrophobicContact CB-CD1 4.16Å; P48-Y52 HydrophobicContact CB-CD2 4.22Å; P48-Y52 HydrophobicContact CB-CE1 4.38Å; P48-Y52 HydrophobicContact CB-CE2 4.46Å; P48-Y52 HydrophobicContact CB-CG 4.08Å; P48-Y52 HydrophobicContact CG-CE1 4.34Å; P48-Y96 HydrophobicContact CG-CE1 4.41Å; P48-Y97 HydrophobicContact CG-CD1 3.93Å; P48-Y97 HydrophobicContact CG-CD2 4.26Å; P48-Y97 HydrophobicContact CG-CE1 3.58Å; P48-Y97 HydrophobicContact CG-CE2 3.95Å; P48-Y97 HydrophobicContact CG-CG 4.28Å; P48-V100 HydrophobicContact CB-CG1 4.38Å; P48-V100 HydrophobicContact CG-CG1 4.12Å; P48-L234 HydrophobicContact CB-CD1 3.92Å
49H90.4Very high93.1Very high21 Ų2115.1 Ų15.110%0.0979%0.092CC..BIsolated β-bridgetrans-126.4176.717955.991.8000109.8A51 Y52 K231 I232H49-A51 WeakPolarHBondContact CE1-CB 3.43Å; H49-A51 VanDerWaalsContact ND1-CB 3.33Å; H49-A51 WeakPolarHBondContact ND1-CB 3.41Å; H49-A51 PolarHBondContact ND1-N 3.03Å; H49-A51 PolarHBondContact O-N 3.01Å; H49-Y52 WeakPolarHBondContact O-CB 3.38Å; H49-Y52 PolarHBondContact O-N 3.37Å; H49-K231 HydrophobicContact CB-CB 4.32Å; H49-K231 HydrophobicContact CB-CD 4.44Å; H49-K231 PolarHBondContact CD2-NZ 2.64Å; H49-K231 WeakPolarHBondContact NE2-CE 3.24Å; H49-K231 PolarHBondContact NE2-NZ 2.6Å; H49-I232 VanDerWaalsContact CB-O 3.25Å; H49-I232 WeakPolarHBondContact CB-O 3.28Å
50V91.3Very high93Very high1 Ų115 Ų151%0.0069%0.091CC..G310 helixtrans-55.2-19.9-173.2-64.70000115.6Y52 F53 L218 I232 L234 F263 L317 L321V50-Y52 PolarHBondContact O-N 3.07Å; V50-F53 HydrophobicContact CB-CD2 4.37Å; V50-F53 WeakPolarHBondContact O-CB 3.3Å; V50-F53 WeakPolarHBondContact O-CD2 3.38Å; V50-F53 PolarHBondContact O-N 2.9Å; V50-L218 HydrophobicContact CG2-CD2 4.04Å; V50-I232 HydrophobicContact CG1-CB 3.92Å; V50-I232 HydrophobicContact CG1-CG2 3.65Å; V50-I232 WeakPolarHBondContact CG1-O 3.15Å; V50-I232 HydrophobicContact CG2-CB 3.81Å; V50-I232 HydrophobicContact CG2-CG2 4.46Å; V50-I232 PolarHBondContact N-O 3.09Å; V50-L234 HydrophobicContact CG1-CD2 4.22Å; V50-F263 HydrophobicContact CB-CE2 4.42Å; V50-L317 HydrophobicContact CB-CD1 4.36Å; V50-L317 HydrophobicContact CG1-CD1 3.87Å; V50-L317 HydrophobicContact CG1-CD2 4.25Å; V50-L321 HydrophobicContact CG1-CD1 4.3Å; V50-L321 HydrophobicContact CG1-CD2 4.34Å
51A88.7Confident92.9Very high21 Ų2114.4 Ų14.417%0.1749%0.089CC..G310 helixtrans-65.7-22.3175.100000113.3H49 F53 V54 P55 M223H49-A51 WeakPolarHBondContact CE1-CB 3.43Å; H49-A51 VanDerWaalsContact ND1-CB 3.33Å; H49-A51 WeakPolarHBondContact ND1-CB 3.41Å; H49-A51 PolarHBondContact ND1-N 3.03Å; H49-A51 PolarHBondContact O-N 3.01Å; A51-F53 PolarHBondContact O-N 2.84Å; A51-F53 VanDerWaalsContact O-N 3.13Å; A51-V54 WeakPolarHBondContact O-CB 3.41Å; A51-V54 PolarHBondContact O-N 3.1Å; A51-P55 WeakPolarHBondContact O-CD 3.31Å; A51-M223 HydrophobicContact CB-CE 3.15Å; A51-M223 HydrophobicContact CB-SD 3.95Å
52Y94.1Very high92.9Very high44 Ų4413.4 Ų13.417%0.1738%0.079CC..G310 helixtrans-60.8-18.1172.2-94.5-119.9000111.8W40 T42 P48 H49 V50 V54 P55 M56 Y97W40-Y52 HydrophobicContact CH2-CD1 4.02Å; W40-Y52 AromaticContact CH2-CE1 3.74Å; W40-Y52 HydrophobicContact CH2-CE1 3.74Å; W40-Y52 HydrophobicContact CZ2-CE1 4.31Å; T42-Y52 PolarHBondContact OG1-OH 2.82Å; P48-Y52 HydrophobicContact CB-CD1 4.16Å; P48-Y52 HydrophobicContact CB-CD2 4.22Å; P48-Y52 HydrophobicContact CB-CE1 4.38Å; P48-Y52 HydrophobicContact CB-CE2 4.46Å; P48-Y52 HydrophobicContact CB-CG 4.08Å; P48-Y52 HydrophobicContact CG-CE1 4.34Å; H49-Y52 WeakPolarHBondContact O-CB 3.38Å; H49-Y52 PolarHBondContact O-N 3.37Å; V50-Y52 PolarHBondContact O-N 3.07Å; Y52-V54 PolarHBondContact O-N 2.87Å; Y52-P55 WeakPolarHBondContact O-CD 3.27Å; Y52-P55 VanDerWaalsContact O-CG 3.3Å; Y52-P55 WeakPolarHBondContact O-CG 3.36Å; Y52-M56 WeakPolarHBondContact O-CB 3.26Å; Y52-M56 WeakPolarHBondContact O-CG 3.42Å; Y52-M56 PolarHBondContact O-N 2.92Å; Y52-Y97 HydrophobicContact CE1-CD1 4.48Å; Y52-Y97 AromaticContact CE1-CE1 3.96Å; Y52-Y97 HydrophobicContact CE1-CE1 3.96Å
53F94.3Very high93Very high0 Ų013.7 Ų13.70%08%0.08CC..Hα-helixtrans-63.7-22.8171.5-78.4-70.2000113.2V50 A51 S57 M104 I108 L234 F263 V267 L317 L320 L321 I324V50-F53 HydrophobicContact CB-CD2 4.37Å; V50-F53 WeakPolarHBondContact O-CB 3.3Å; V50-F53 WeakPolarHBondContact O-CD2 3.38Å; V50-F53 PolarHBondContact O-N 2.9Å; A51-F53 PolarHBondContact O-N 2.84Å; A51-F53 VanDerWaalsContact O-N 3.13Å; F53-S57 VanDerWaalsContact O-CB 3.28Å; F53-S57 WeakPolarHBondContact O-CB 3.46Å; F53-S57 PolarHBondContact O-N 3.33Å; F53-S57 PolarHBondContact O-OG 3.44Å; F53-M104 HydrophobicContact CB-CE 4.23Å; F53-M104 HydrophobicContact CD1-CE 3.5Å; F53-M104 VanDerWaalsContact CD1-CE 3.5Å; F53-M104 HydrophobicContact CD2-CE 3.75Å; F53-M104 HydrophobicContact CE1-CB 4.15Å; F53-M104 HydrophobicContact CE1-CE 3.68Å; F53-M104 HydrophobicContact CE1-CG 4.18Å; F53-M104 HydrophobicContact CE2-CE 3.91Å; F53-M104 HydrophobicContact CG-CE 3.53Å; F53-M104 HydrophobicContact CZ-CE 3.89Å; F53-M104 HydrophobicContact CZ-CG 4.24Å; F53-I108 HydrophobicContact CD1-CD1 4.17Å; F53-I108 HydrophobicContact CE1-CD1 4.39Å; F53-I108 HydrophobicContact CE1-CG1 4.44Å; F53-L234 HydrophobicContact CD2-CD2 4.14Å; F53-L234 HydrophobicContact CE2-CD2 3.61Å; F53-L234 HydrophobicContact CZ-CD2 4.33Å; F53-F263 HydrophobicContact CB-CE2 4.34Å; F53-F263 HydrophobicContact CB-CZ 4.48Å; F53-F263 HydrophobicContact CD2-CZ 4.42Å; F53-V267 HydrophobicContact CB-CB 4.34Å; F53-V267 HydrophobicContact CB-CG1 3.56Å; F53-V267 HydrophobicContact CB-CG2 3.81Å; F53-V267 HydrophobicContact CG-CG1 4.19Å; F53-L317 HydrophobicContact CE2-CD1 4.49Å; F53-L320 HydrophobicContact CE1-CB 4.4Å; F53-L320 HydrophobicContact CE1-CD1 4.49Å; F53-L320 HydrophobicContact CZ-CB 4.01Å; F53-L321 HydrophobicContact CE2-CD2 3.79Å; F53-L321 HydrophobicContact CZ-CD2 4.2Å; F53-I324 HydrophobicContact CE1-CD1 4.45Å; F53-I324 HydrophobicContact CZ-CD1 3.69Å
54V92.8Very high93.3Very high14 Ų1416.4 Ų16.49%0.0859%0.085CC..Hα-helixtrans-63.5-59.3175.5174.20000111.2A51 Y52 M56 S57 K58 V215 V267A51-V54 WeakPolarHBondContact O-CB 3.41Å; A51-V54 PolarHBondContact O-N 3.1Å; Y52-V54 PolarHBondContact O-N 2.87Å; V54-M56 VanDerWaalsContact C-N 3.33Å; V54-M56 PolarHBondContact O-N 2.98Å; V54-S57 PolarHBondContact O-N 3.29Å; V54-K58 PolarHBondContact O-N 3.47Å; V54-V215 HydrophobicContact CG1-CB 4.41Å; V54-V215 HydrophobicContact CG1-CG2 3.68Å; V54-V215 HydrophobicContact CG2-CB 4.12Å; V54-V215 HydrophobicContact CG2-CG1 4.05Å; V54-V215 HydrophobicContact CG2-CG2 4.11Å; V54-V267 HydrophobicContact CG2-CG2 3.82Å
55P95.9Very high93.6Very high22 Ų2216.5 Ų16.514%0.1439%0.086CC..Hα-helixtrans-64.1-36.7173.623.7-32.2000112.1W40 A51 Y52 S57 K58 I59 F183W40-P55 HydrophobicContact CH2-CG 4.48Å; W40-P55 HydrophobicContact CZ2-CB 3.89Å; W40-P55 HydrophobicContact CZ2-CG 3.93Å; A51-P55 WeakPolarHBondContact O-CD 3.31Å; Y52-P55 WeakPolarHBondContact O-CD 3.27Å; Y52-P55 VanDerWaalsContact O-CG 3.3Å; Y52-P55 WeakPolarHBondContact O-CG 3.36Å; P55-S57 VanDerWaalsContact C-N 3.28Å; P55-S57 PolarHBondContact O-N 3Å; P55-K58 PolarHBondContact O-N 2.94Å; P55-K58 VanDerWaalsContact O-N 3.08Å; P55-I59 WeakPolarHBondContact O-CG1 3.4Å; P55-I59 PolarHBondContact O-N 2.73Å; P55-F183 HydrophobicContact CB-CE1 3.91Å; P55-F183 HydrophobicContact CB-CZ 4.3Å
56M97Very high94.1Very high0 Ų015.3 Ų15.30%08%0.081CC..Hα-helixtrans-64-31178.6-67.3-57.995.500113.4W40 Y52 V54 K58 I59 A60 I71 I101 M104 L105 I108W40-M56 HydrophobicContact CD2-CE 4.44Å; W40-M56 HydrophobicContact CE3-CE 3.7Å; W40-M56 HydrophobicContact CH2-CE 3.52Å; W40-M56 HydrophobicContact CZ2-CE 4.29Å; W40-M56 HydrophobicContact CZ3-CE 3.19Å; Y52-M56 WeakPolarHBondContact O-CB 3.26Å; Y52-M56 WeakPolarHBondContact O-CG 3.42Å; Y52-M56 PolarHBondContact O-N 2.92Å; V54-M56 VanDerWaalsContact C-N 3.33Å; V54-M56 PolarHBondContact O-N 2.98Å; M56-K58 VanDerWaalsContact C-N 3.33Å; M56-I59 HydrophobicContact CE-CB 4.46Å; M56-I59 HydrophobicContact CE-CG1 3.8Å; M56-I59 PolarHBondContact O-N 3.32Å; M56-A60 WeakPolarHBondContact O-CB 3.39Å; M56-A60 PolarHBondContact O-N 3.46Å; M56-I71 HydrophobicContact CE-CD1 4.31Å; M56-I101 HydrophobicContact SD-CB 4.4Å; M56-I101 HydrophobicContact SD-CG1 4.21Å; M56-I101 HydrophobicContact SD-CG2 3.73Å; M56-M104 HydrophobicContact CB-CE 4.3Å; M56-M104 HydrophobicContact CG-CB 4.3Å; M56-M104 HydrophobicContact CG-CE 3.75Å; M56-M104 HydrophobicContact CG-SD 4.04Å; M56-L105 HydrophobicContact CB-CD2 4.37Å; M56-L105 HydrophobicContact SD-CD1 4.43Å; M56-L105 HydrophobicContact SD-CD2 4.13Å; M56-L105 HydrophobicContact SD-CG 4.15Å; M56-I108 HydrophobicContact CB-CD1 4.04Å
57S95.8Very high94.7Very high2 Ų214.4 Ų14.41%0.0147%0.072CC..Hα-helixtrans-66.1-36.6173.8-60.30000111.3F53 V54 P55 A60 D61F53-S57 VanDerWaalsContact O-CB 3.28Å; F53-S57 WeakPolarHBondContact O-CB 3.46Å; F53-S57 PolarHBondContact O-N 3.33Å; F53-S57 PolarHBondContact O-OG 3.44Å; V54-S57 PolarHBondContact O-N 3.29Å; P55-S57 VanDerWaalsContact C-N 3.28Å; P55-S57 PolarHBondContact O-N 3Å; S57-A60 WeakPolarHBondContact O-CB 3.31Å; S57-A60 PolarHBondContact O-N 3.09Å; S57-D61 PolarHBondContact O-N 3.04Å
58K97.2Very high95.2Very high7 Ų714 Ų143%0.037%0.071CC..Hα-helixtrans-72.4-38.2172.5-72.9-50.4-50.3172.50113.3L13 I14 R16 L18 V54 P55 M56 A60 D61 F62 F183 N212L13-K58 PolarHBondContact O-NZ 2.92Å; I14-K58 WeakPolarHBondContact O-CE 3.29Å; I14-K58 PolarHBondContact O-NZ 3.03Å; R16-K58 PolarHBondContact O-NZ 3.48Å; L18-K58 HydrophobicContact CD2-CD 4.19Å; L18-K58 HydrophobicContact CD2-CG 4.28Å; V54-K58 PolarHBondContact O-N 3.47Å; P55-K58 PolarHBondContact O-N 2.94Å; P55-K58 VanDerWaalsContact O-N 3.08Å; M56-K58 VanDerWaalsContact C-N 3.33Å; K58-A60 VanDerWaalsContact C-N 3.26Å; K58-A60 PolarHBondContact O-N 3.28Å; K58-D61 IonicContact NZ-OD2 3.84Å; K58-D61 PolarHBondContact NZ-OD2 3.05Å; K58-D61 WeakPolarHBondContact O-CB 3.11Å; K58-D61 PolarHBondContact O-N 3.26Å; K58-D61 VanDerWaalsContact O-N 3.13Å; K58-F62 HydrophobicContact CB-CE2 4.49Å; K58-F62 HydrophobicContact CB-CZ 4.38Å; K58-F62 WeakPolarHBondContact O-CD2 3.47Å; K58-F62 VanDerWaalsContact O-CG 3.27Å; K58-F62 WeakPolarHBondContact O-CG 3.32Å; K58-F62 PolarHBondContact O-N 3.42Å; K58-F183 HydrophobicContact CB-CE1 3.93Å; K58-F183 HydrophobicContact CB-CE2 3.95Å; K58-F183 HydrophobicContact CB-CZ 3.49Å; K58-F183 VanDerWaalsContact CB-CZ 3.49Å; K58-F183 HydrophobicContact CG-CE2 4.01Å; K58-F183 HydrophobicContact CG-CZ 3.81Å; K58-N212 WeakPolarHBondContact CG-ND2 3.1Å; K58-N212 WeakPolarHBondContact CG-OD1 3.38Å
59I98Very high95.5Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-59.6-41.5171.3-64.1-52.9000110.7W40 P55 M56 D61 F62 L63 V69 I71 L105 F183W40-I59 HydrophobicContact CB-CD1 3.89Å; W40-I59 HydrophobicContact CG-CD1 4.36Å; P55-I59 WeakPolarHBondContact O-CG1 3.4Å; P55-I59 PolarHBondContact O-N 2.73Å; M56-I59 HydrophobicContact CE-CB 4.46Å; M56-I59 HydrophobicContact CE-CG1 3.8Å; M56-I59 PolarHBondContact O-N 3.32Å; I59-D61 VanDerWaalsContact C-N 3.33Å; I59-D61 PolarHBondContact O-N 2.96Å; I59-F62 HydrophobicContact CD1-CD2 3.9Å; I59-F62 HydrophobicContact CD1-CE2 4.12Å; I59-F62 PolarHBondContact O-N 2.91Å; I59-L63 HydrophobicContact CG2-CD1 3.97Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 WeakPolarHBondContact O-CG 3.23Å; I59-L63 PolarHBondContact O-N 3.09Å; I59-V69 HydrophobicContact CD1-CG1 3.97Å; I59-V69 HydrophobicContact CG2-CG1 4.1Å; I59-I71 HydrophobicContact CG1-CD1 4.48Å; I59-I71 HydrophobicContact CG2-CD1 4.41Å; I59-L105 HydrophobicContact CB-CD2 4.29Å; I59-L105 HydrophobicContact CG2-CD1 4.06Å; I59-L105 HydrophobicContact CG2-CD2 3.89Å; I59-F183 HydrophobicContact CD1-CD1 4.02Å; I59-F183 HydrophobicContact CD1-CE1 4.36Å
60A96.6Very high95.9Very high0 Ų013.1 Ų13.10%07%0.067CC..Hα-helixtrans-60.6-41.1173.900000112M56 S57 K58 L63 R64 I108 V110M56-A60 WeakPolarHBondContact O-CB 3.39Å; M56-A60 PolarHBondContact O-N 3.46Å; S57-A60 WeakPolarHBondContact O-CB 3.31Å; S57-A60 PolarHBondContact O-N 3.09Å; K58-A60 VanDerWaalsContact C-N 3.26Å; K58-A60 PolarHBondContact O-N 3.28Å; A60-L63 PolarHBondContact O-N 3.18Å; A60-R64 WeakPolarHBondContact O-CB 3.46Å; A60-R64 VanDerWaalsContact O-CG 3.23Å; A60-R64 WeakPolarHBondContact O-CG 3.32Å; A60-R64 PolarHBondContact O-N 3.35Å; A60-I108 HydrophobicContact CB-CG2 3.69Å; A60-V110 HydrophobicContact CB-CG1 3.7Å; A60-V110 HydrophobicContact CB-CG2 4.15Å
61D96.3Very high96.2Very high1 Ų113.1 Ų13.11%0.0057%0.067CC..Hα-helixtrans-61.2-44.5173.2-72.7-9.9000112.5L13 R16 S57 K58 I59 L63 R64 A65L13-D61 WeakPolarHBondContact O-CB 3.17Å; R16-D61 IonicContact CZ-OD1 2.75Å; R16-D61 IonicContact CZ-OD2 2.72Å; R16-D61 IonicContact NE-OD1 3.82Å; R16-D61 PolarHBondContact NE-OD1 2.7Å; R16-D61 IonicContact NE-OD2 2.68Å; R16-D61 PolarHBondContact NE-OD2 2.96Å; R16-D61 IonicContact NH2-OD1 2.91Å; R16-D61 PolarHBondContact NH2-OD1 2.96Å; R16-D61 IonicContact NH2-OD2 3.17Å; S57-D61 PolarHBondContact O-N 3.04Å; K58-D61 IonicContact NZ-OD2 3.84Å; K58-D61 PolarHBondContact NZ-OD2 3.05Å; K58-D61 WeakPolarHBondContact O-CB 3.11Å; K58-D61 PolarHBondContact O-N 3.26Å; K58-D61 VanDerWaalsContact O-N 3.13Å; I59-D61 VanDerWaalsContact C-N 3.33Å; I59-D61 PolarHBondContact O-N 2.96Å; D61-L63 PolarHBondContact O-N 3.32Å; D61-R64 PolarHBondContact O-N 3.48Å; D61-R64 IonicContact OD1-NH1 3.23Å; D61-A65 WeakPolarHBondContact O-CB 3.13Å; D61-A65 PolarHBondContact O-N 3.04Å
62F97.9Very high96.7Very high0 Ų012.2 Ų12.20%06%0.059CC..Hα-helixtrans-61.7-44.6177.4-58.2-28.7000111.7I14 V38 K58 I59 A65 G66 C67 V69 F183 L210I14-F62 HydrophobicContact CB-CD1 4.34Å; I14-F62 HydrophobicContact CB-CE1 4.33Å; I14-F62 HydrophobicContact CG1-CD1 4.08Å; I14-F62 HydrophobicContact CG2-CD1 4.2Å; I14-F62 HydrophobicContact CG2-CE1 3.85Å; V38-F62 HydrophobicContact CG1-CD2 4.19Å; V38-F62 HydrophobicContact CG1-CE2 3.99Å; K58-F62 HydrophobicContact CB-CE2 4.49Å; K58-F62 HydrophobicContact CB-CZ 4.38Å; K58-F62 WeakPolarHBondContact O-CD2 3.47Å; K58-F62 VanDerWaalsContact O-CG 3.27Å; K58-F62 WeakPolarHBondContact O-CG 3.32Å; K58-F62 PolarHBondContact O-N 3.42Å; I59-F62 HydrophobicContact CD1-CD2 3.9Å; I59-F62 HydrophobicContact CD1-CE2 4.12Å; I59-F62 PolarHBondContact O-N 2.91Å; F62-A65 PolarHBondContact O-N 3.01Å; F62-G66 PolarHBondContact O-N 3.45Å; F62-C67 HydrophobicContact CB-CB 3.99Å; F62-C67 VanDerWaalsContact O-CB 3.24Å; F62-C67 WeakPolarHBondContact O-CB 3.23Å; F62-C67 PolarHBondContact O-N 3.05Å; F62-C67 PolarHBondContact O-SG 2.72Å; F62-C67 VanDerWaalsContact O-SG 3.39Å; F62-V69 HydrophobicContact CB-CG2 3.67Å; F62-F183 HydrophobicContact CE2-CB 3.71Å; F62-F183 AromaticContact CE2-CD1 3.82Å; F62-F183 HydrophobicContact CE2-CD1 3.82Å; F62-F183 HydrophobicContact CE2-CD2 4.13Å; F62-F183 AromaticContact CE2-CG 3.61Å; F62-F183 HydrophobicContact CE2-CG 3.61Å; F62-F183 HydrophobicContact CZ-CB 4.03Å; F62-F183 HydrophobicContact CZ-CD1 4.41Å; F62-F183 AromaticContact CZ-CD2 3.9Å; F62-F183 HydrophobicContact CZ-CD2 3.9Å; F62-F183 AromaticContact CZ-CG 3.85Å; F62-F183 HydrophobicContact CZ-CG 3.85Å; F62-L210 HydrophobicContact CE1-CD1 3.81Å; F62-L210 HydrophobicContact CZ-CD1 3.68Å
63L97Very high96.9Very high10 Ų1010.2 Ų10.25%0.0525%0.052CC..Hα-helixtrans-63.7-41.5177.2-69.5168.1000111.7I59 A60 D61 A65 G66 V69 L105 V110 L112 K114 L115I59-L63 HydrophobicContact CG2-CD1 3.97Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 WeakPolarHBondContact O-CG 3.23Å; I59-L63 PolarHBondContact O-N 3.09Å; A60-L63 PolarHBondContact O-N 3.18Å; D61-L63 PolarHBondContact O-N 3.32Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 2.91Å; L63-G66 PolarHBondContact O-N 3.32Å; L63-V69 HydrophobicContact CD2-CB 4.08Å; L63-V69 HydrophobicContact CD2-CG2 3.82Å; L63-V69 HydrophobicContact CG-CG2 4.02Å; L63-L105 HydrophobicContact CD1-CD1 4.43Å; L63-V110 HydrophobicContact CD1-CB 4.49Å; L63-V110 HydrophobicContact CD1-CG2 3.99Å; L63-L112 HydrophobicContact CD1-CD2 4.29Å; L63-K114 HydrophobicContact CD2-CB 4.41Å; L63-L115 HydrophobicContact CD2-CB 4.18Å
64R95.2Very high96.9Very high82 Ų8210.5 Ų10.531%0.3095%0.054SC..Hα-helixtrans-64.8-35.8174.9-72.9168.5-178.3166.9-4.9112.5L5 A60 D61 G66 V110 P270L5-R64 WeakPolarHBondContact CD1-O 3.39Å; A60-R64 WeakPolarHBondContact O-CB 3.46Å; A60-R64 VanDerWaalsContact O-CG 3.23Å; A60-R64 WeakPolarHBondContact O-CG 3.32Å; A60-R64 PolarHBondContact O-N 3.35Å; D61-R64 PolarHBondContact O-N 3.48Å; D61-R64 IonicContact OD1-NH1 3.23Å; R64-G66 PolarHBondContact O-N 2.8Å; R64-V110 HydrophobicContact CG-CG1 3.81Å; R64-P270 PolarHBondContact NH1-O 3.18Å
65A95.9Very high96.8Very high1 Ų19.8 Ų9.81%0.0085%0.05CC..THydrogen-bonded Turntrans-71.4-8.7173.700000113.1K10 L13 I14 D61 F62 L63K10-A65 HydrophobicContact CB-CB 4.32Å; K10-A65 VanDerWaalsContact CD-O 3.3Å; K10-A65 WeakPolarHBondContact CD-O 3.33Å; K10-A65 VanDerWaalsContact CE-O 3.24Å; K10-A65 WeakPolarHBondContact CE-O 3.4Å; K10-A65 HydrophobicContact CG-CB 4.39Å; K10-A65 WeakPolarHBondContact CG-O 3.16Å; L13-A65 HydrophobicContact CB-CB 4.25Å; L13-A65 HydrophobicContact CD1-CB 4.48Å; I14-A65 HydrophobicContact CD1-CB 4.29Å; I14-A65 HydrophobicContact CG1-CB 3.98Å; D61-A65 WeakPolarHBondContact O-CB 3.13Å; D61-A65 PolarHBondContact O-N 3.04Å; F62-A65 PolarHBondContact O-N 3.01Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 2.91Å
66G96.1Very high96.5Very high13 Ų139.7 Ų9.713%0.1345%0.047CC..THydrogen-bonded Turntrans89.49178.800000114.6E35 F62 L63 R64 K114E35-G66 WeakPolarHBondContact CG-O 3.46Å; F62-G66 PolarHBondContact O-N 3.45Å; L63-G66 PolarHBondContact O-N 3.32Å; R64-G66 PolarHBondContact O-N 2.8Å; G66-K114 VanDerWaalsContact O-CD 3.27Å; G66-K114 WeakPolarHBondContact O-CD 3.43Å; G66-K114 PolarHBondContact O-NZ 3.18Å
67C97.9Very high96Very high0 Ų09.8 Ų9.80%05%0.048CC..  trans-61.1150178.2-57.70000112L36 F62 V69 K114L36-C67 CarbonylContact O-C 3.25Å; L36-C67 VanDerWaalsContact O-CA 3.27Å; L36-C67 WeakPolarHBondContact O-CA 3.48Å; L36-C67 VanDerWaalsContact O-CB 3.31Å; L36-C67 WeakPolarHBondContact O-CB 3.27Å; F62-C67 HydrophobicContact CB-CB 3.99Å; F62-C67 VanDerWaalsContact O-CB 3.24Å; F62-C67 WeakPolarHBondContact O-CB 3.23Å; F62-C67 PolarHBondContact O-N 3.05Å; F62-C67 PolarHBondContact O-SG 2.72Å; F62-C67 VanDerWaalsContact O-SG 3.39Å; C67-V69 HydrophobicContact CB-CG2 4.14Å; C67-K114 WeakPolarHBondContact O-CB 3.34Å
68E98.4Very high95.5Very high53 Ų539.7 Ų9.725%0.2485%0.047CC..EExtended strand (participates in β ladder)trans-83.5113.7163.2-69.6177-146.600108.1L36 K37 V38 R116L36-E68 PolarHBondContact O-N 3.26Å; K37-E68 WeakPolarHBondContact CA-O 3.36Å; K37-E68 VanDerWaalsContact CE-OE2 3.28Å; K37-E68 WeakPolarHBondContact CE-OE2 3.42Å; K37-E68 HydrophobicContact CG-CB 4.08Å; V38-E68 PolarHBondContact N-O 2.94Å; E68-R116 IonicContact OE2-CZ 2.74Å; E68-R116 IonicContact OE2-NH1 2.79Å; E68-R116 IonicContact OE2-NH2 3.68Å; E68-R116 PolarHBondContact OE2-NH2 3.25Å
69V98.7Very high94.8Very high0 Ų013.1 Ų13.10%06%0.061CC..EExtended strand (participates in β ladder)trans-108.2125-173.9-177.70000110.1V38 I59 F62 L63 C67 I71 K114 L115 R116V38-V69 CarbonylContact O-C 3.56Å; V38-V69 WeakPolarHBondContact O-CA 3.41Å; I59-V69 HydrophobicContact CD1-CG1 3.97Å; I59-V69 HydrophobicContact CG2-CG1 4.1Å; F62-V69 HydrophobicContact CB-CG2 3.67Å; L63-V69 HydrophobicContact CD2-CB 4.08Å; L63-V69 HydrophobicContact CD2-CG2 3.82Å; L63-V69 HydrophobicContact CG-CG2 4.02Å; C67-V69 HydrophobicContact CB-CG2 4.14Å; V69-I71 HydrophobicContact CG1-CG1 4.46Å; V69-K114 PolarHBondContact N-O 2.92Å; V69-L115 HydrophobicContact CB-CD1 4.11Å; V69-L115 HydrophobicContact CG1-CD1 3.94Å; V69-L115 CarbonylContact O-C 3.57Å; V69-L115 WeakPolarHBondContact O-CA 3.35Å; V69-R116 PolarHBondContact O-N 2.94Å
70T98.8Very high93.9Very high5 Ų514.7 Ų14.73%0.0317%0.069CC..EExtended strand (participates in β ladder)trans-107.4125.8171.4-61.30000109.6V38 Y39 W40 R116 I118 L177V38-T70 PolarHBondContact O-N 2.69Å; Y39-T70 CarbonylContact C-O 3.59Å; Y39-T70 WeakPolarHBondContact CA-O 3.49Å; Y39-T70 VanDerWaalsContact CB-O 3.27Å; Y39-T70 WeakPolarHBondContact CB-O 3.28Å; W40-T70 PolarHBondContact N-O 3.26Å; T70-R116 CarbonylContact C-O 3.59Å; T70-R116 WeakPolarHBondContact CA-O 3.28Å; T70-I118 HydrophobicContact CG2-CB 4.35Å; T70-I118 HydrophobicContact CG2-CD1 3.84Å; T70-I118 HydrophobicContact CG2-CG1 4.1Å; T70-L177 HydrophobicContact CG2-CD1 4.42Å; T70-L177 HydrophobicContact CG2-CD2 4.24Å
71I98.6Very high92.7Very high0 Ų017 Ų170%08%0.081CC..EExtended strand (participates in β ladder)trans-101.6118.2167.1-61.5-175.4000108W40 T42 M56 I59 V69 F73 I101 L115 R116 F117 I118W40-I71 HydrophobicContact CE3-CB 4.41Å; W40-I71 HydrophobicContact CE3-CD1 3.83Å; W40-I71 HydrophobicContact CE3-CG1 3.96Å; W40-I71 HydrophobicContact CE3-CG2 3.73Å; W40-I71 HydrophobicContact CZ3-CD1 4.11Å; W40-I71 HydrophobicContact CZ3-CG2 3.93Å; W40-I71 WeakPolarHBondContact O-CA 3.5Å; T42-I71 HydrophobicContact CG2-CG2 4.17Å; M56-I71 HydrophobicContact CE-CD1 4.31Å; I59-I71 HydrophobicContact CG1-CD1 4.48Å; I59-I71 HydrophobicContact CG2-CD1 4.41Å; V69-I71 HydrophobicContact CG1-CG1 4.46Å; I71-F73 HydrophobicContact CG2-CE1 4.08Å; I71-F73 HydrophobicContact CG2-CZ 4.19Å; I71-I101 HydrophobicContact CD1-CG2 3.72Å; I71-I101 HydrophobicContact CG2-CD1 4.4Å; I71-L115 HydrophobicContact CD1-CD1 4.01Å; I71-L115 HydrophobicContact CG1-CD1 4Å; I71-R116 PolarHBondContact N-O 3.25Å; I71-F117 HydrophobicContact CB-CD1 3.9Å; I71-F117 HydrophobicContact CB-CE1 4.07Å; I71-F117 HydrophobicContact CD1-CE1 4.1Å; I71-F117 HydrophobicContact CG1-CE1 4.37Å; I71-I118 PolarHBondContact O-N 3.43Å; I71-I118 VanDerWaalsContact O-N 3.1Å
72L98.6Very high91.1Very high2 Ų219.6 Ų19.61%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-90114.6176.4177.367.3000109.1Y39 W40 T42 A74 I118 F123 D173 L177Y39-L72 HydrophobicContact CD2-CB 4.24Å; Y39-L72 HydrophobicContact CE2-CD2 4.37Å; W40-L72 PolarHBondContact O-N 3.11Å; T42-L72 PolarHBondContact N-O 3.46Å; L72-A74 PolarHBondContact O-N 3.38Å; L72-I118 CarbonylContact C-O 3.54Å; L72-I118 WeakPolarHBondContact CA-O 3.06Å; L72-I118 HydrophobicContact CD1-CG2 4.24Å; L72-F123 HydrophobicContact CD1-CE1 3.85Å; L72-F123 HydrophobicContact CD1-CZ 4.3Å; L72-D173 HydrophobicContact CD2-CB 4.14Å; L72-D173 VanDerWaalsContact CD2-OD2 3.26Å; L72-D173 WeakPolarHBondContact CD2-OD2 3.25Å; L72-L177 HydrophobicContact CB-CD1 4.24Å; L72-L177 HydrophobicContact CD2-CD1 4.23Å
73F97.5Very high89.3Confident3 Ų324.9 Ų24.91%0.01312%0.121CC..EExtended strand (participates in β ladder)trans-78.897.5165.4-62.5-59.2000108.5T42 T44 I71 D75 V94 E98 I101 F117 I118 G120T42-F73 HydrophobicContact CG2-CD1 3.92Å; T42-F73 HydrophobicContact CG2-CE1 4.09Å; T44-F73 HydrophobicContact CG2-CB 4.06Å; T44-F73 HydrophobicContact CG2-CD1 3.95Å; T44-F73 HydrophobicContact CG2-CG 4.41Å; I71-F73 HydrophobicContact CG2-CE1 4.08Å; I71-F73 HydrophobicContact CG2-CZ 4.19Å; F73-D75 PolarHBondContact O-N 3.14Å; F73-V94 HydrophobicContact CB-CG1 3.89Å; F73-V94 HydrophobicContact CB-CG2 4.27Å; F73-V94 HydrophobicContact CD2-CG1 3.98Å; F73-V94 HydrophobicContact CG-CG1 3.96Å; F73-E98 HydrophobicContact CE2-CB 3.87Å; F73-E98 HydrophobicContact CE2-CG 3.94Å; F73-E98 HydrophobicContact CZ-CB 3.9Å; F73-E98 HydrophobicContact CZ-CG 4.21Å; F73-I101 HydrophobicContact CE1-CD1 3.76Å; F73-I101 HydrophobicContact CZ-CD1 4.26Å; F73-F117 HydrophobicContact CD2-CB 4.48Å; F73-F117 HydrophobicContact CE2-CB 3.79Å; F73-F117 AromaticContact CE2-CD1 3.99Å; F73-F117 HydrophobicContact CE2-CD1 3.99Å; F73-F117 HydrophobicContact CE2-CD2 4.41Å; F73-F117 AromaticContact CE2-CG 3.81Å; F73-F117 HydrophobicContact CE2-CG 3.81Å; F73-F117 HydrophobicContact CZ-CD1 4.09Å; F73-F117 HydrophobicContact CZ-CE1 4.39Å; F73-F117 HydrophobicContact CZ-CG 4.27Å; F73-I118 PolarHBondContact N-O 3Å; F73-G120 PolarHBondContact O-N 3.32Å
74A93.8Very high87.4Confident5 Ų530.5 Ų30.54%0.04115%0.145CC..  trans-8067.2-173.800000110T42 L72 H77 A78T42-A74 PolarHBondContact O-N 3.25Å; L72-A74 PolarHBondContact O-N 3.38Å; A74-H77 HydrophobicContact CB-CB 3.78Å; A74-H77 PolarHBondContact O-N 2.63Å; A74-A78 WeakPolarHBondContact O-CB 3.33Å; A74-A78 PolarHBondContact O-N 3.45Å
75D91.7Very high86Confident0 Ų026.8 Ų26.80%013%0.132CC..Hα-helixtrans-70.4-39.6-177.165.4-37.6000112.6F73 H77 A78 Y79 V94 K119 G120 T121F73-D75 PolarHBondContact O-N 3.14Å; D75-H77 VanDerWaalsContact C-N 3.34Å; D75-A78 WeakPolarHBondContact O-CB 3.31Å; D75-A78 PolarHBondContact O-N 2.98Å; D75-Y79 PolarHBondContact O-N 3.35Å; D75-V94 HydrophobicContact CB-CG2 3.75Å; D75-K119 HydrophobicContact CB-CG 4.18Å; D75-K119 WeakPolarHBondContact OD1-CG 3.43Å; D75-K119 VanDerWaalsContact OD2-CD 3.32Å; D75-K119 WeakPolarHBondContact OD2-CD 3.39Å; D75-K119 VanDerWaalsContact OD2-CG 3.29Å; D75-K119 WeakPolarHBondContact OD2-CG 3.27Å; D75-G120 WeakPolarHBondContact OD1-CA 3.02Å; D75-G120 PolarHBondContact OD1-N 3.25Å; D75-G120 VanDerWaalsContact OD1-N 3.07Å; D75-T121 PolarHBondContact OD1-N 3.07Å; D75-T121 WeakPolarHBondContact OD2-CB 3.5Å; D75-T121 WeakPolarHBondContact OD2-CG2 3.25Å; D75-T121 PolarHBondContact OD2-OG1 3.26Å
76L90.6Very high85.3Confident19 Ų1930.1 Ų30.110%0.09915%0.153CC..Hα-helixtrans-61.6-44.1170.2179.160.8000110.9A78 Y79 L80 W87 T121 Q124 L125L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 3.28Å; L76-Y79 WeakPolarHBondContact O-CB 3.39Å; L76-Y79 PolarHBondContact O-N 3.43Å; L76-L80 HydrophobicContact CD1-CD1 4.49Å; L76-L80 HydrophobicContact CD1-CG 4.43Å; L76-L80 HydrophobicContact CG-CD1 4.16Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 2.86Å; L76-W87 HydrophobicContact CD1-CH2 3.8Å; L76-W87 HydrophobicContact CD1-CZ2 4.49Å; L76-T121 HydrophobicContact CB-CG2 4.15Å; L76-Q124 HydrophobicContact CD2-CB 3.78Å; L76-L125 HydrophobicContact CD2-CD2 4.26Å
77H86.4Confident84.6Confident2 Ų234 Ų341%0.00916%0.164CC..Hα-helixtrans-62.8-41.9175.2-68.491.6000111.5A74 D75 Y79 L80 D81 Q124 Y166 L169 D173A74-H77 HydrophobicContact CB-CB 3.78Å; A74-H77 PolarHBondContact O-N 2.63Å; D75-H77 VanDerWaalsContact C-N 3.34Å; H77-Y79 VanDerWaalsContact C-N 3.27Å; H77-Y79 PolarHBondContact O-N 2.94Å; H77-L80 PolarHBondContact O-N 3.22Å; H77-L80 VanDerWaalsContact O-N 3.14Å; H77-D81 WeakPolarHBondContact O-CB 3.42Å; H77-D81 PolarHBondContact O-N 2.98Å; H77-Q124 PolarHBondContact CE1-NE2 2.97Å; H77-Q124 VanDerWaalsContact CE1-NE2 3.25Å; H77-Y166 HydrophobicContact CB-CD2 4.4Å; H77-Y166 HydrophobicContact CB-CE2 3.74Å; H77-Y166 AromaticContact CD2-CD2 3.59Å; H77-Y166 AromaticContact CD2-CE2 3.41Å; H77-Y166 VanDerWaalsContact CD2-CE2 3.41Å; H77-Y166 WeakPolarHBondContact CD2-CE2 3.16Å; H77-Y166 AromaticContact CD2-CG 3.99Å; H77-Y166 AromaticContact CD2-CZ 3.67Å; H77-Y166 AromaticContact CG-CE2 3.96Å; H77-L169 VanDerWaalsContact NE2-CB 3.35Å; H77-L169 WeakPolarHBondContact NE2-CB 3.24Å; H77-D173 IonicContact CE1-OD2 3.94Å; H77-D173 PolarHBondContact CE1-OD2 2.83Å
78A84.3Confident84Confident0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-59.7-37.6174.900000112.1A43 T45 A74 D75 L76 N82 L90A43-A78 HydrophobicContact CB-CB 4.39Å; T45-A78 HydrophobicContact CG2-CB 3.67Å; A74-A78 WeakPolarHBondContact O-CB 3.33Å; A74-A78 PolarHBondContact O-N 3.45Å; D75-A78 WeakPolarHBondContact O-CB 3.31Å; D75-A78 PolarHBondContact O-N 2.98Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 3.28Å; A78-N82 CarbonylContact O-C 3.5Å; A78-N82 WeakPolarHBondContact O-CA 3.44Å; A78-N82 WeakPolarHBondContact O-CB 3.39Å; A78-N82 PolarHBondContact O-N 3.17Å; A78-L90 HydrophobicContact CB-CD2 3.91Å
79Y83.3Confident83.6Confident79 Ų7939.8 Ų39.831%0.3119%0.192SC..Hα-helixtrans-66.2-46.9171.9177.6-98.6000112.1D75 L76 H77 D81 N82 M83 W87 L90D75-Y79 PolarHBondContact O-N 3.35Å; L76-Y79 WeakPolarHBondContact O-CB 3.39Å; L76-Y79 PolarHBondContact O-N 3.43Å; H77-Y79 VanDerWaalsContact C-N 3.27Å; H77-Y79 PolarHBondContact O-N 2.94Å; Y79-D81 VanDerWaalsContact C-N 3.33Å; Y79-D81 PolarHBondContact O-N 3.27Å; Y79-N82 CarbonylContact O-C 3.59Å; Y79-N82 PolarHBondContact O-N 3.22Å; Y79-M83 WeakPolarHBondContact O-CA 3.48Å; Y79-M83 WeakPolarHBondContact O-CG 3.4Å; Y79-M83 PolarHBondContact O-N 3.02Å; Y79-M83 VanDerWaalsContact O-N 3.1Å; Y79-W87 HydrophobicContact CD1-CH2 4.11Å; Y79-W87 AromaticContact CD1-CZ2 3.6Å; Y79-W87 HydrophobicContact CD1-CZ2 3.6Å; Y79-W87 HydrophobicContact CD2-CD2 4.42Å; Y79-W87 AromaticContact CD2-CE2 3.79Å; Y79-W87 HydrophobicContact CD2-CH2 4.45Å; Y79-W87 AromaticContact CD2-CZ2 3.82Å; Y79-W87 HydrophobicContact CD2-CZ2 3.82Å; Y79-W87 AromaticContact CD2-NE1 3.94Å; Y79-W87 AromaticContact CE1-CZ2 3.97Å; Y79-W87 HydrophobicContact CE1-CZ2 3.97Å; Y79-W87 AromaticContact CE2-CE2 3.97Å; Y79-W87 HydrophobicContact CE2-CZ2 4.17Å; Y79-W87 AromaticContact CE2-NE1 3.66Å; Y79-W87 AromaticContact CG-CE2 3.99Å; Y79-W87 AromaticContact CG-CH2 3.87Å; Y79-W87 HydrophobicContact CG-CH2 3.87Å; Y79-W87 AromaticContact CG-CZ2 3.51Å; Y79-W87 HydrophobicContact CG-CZ2 3.51Å; Y79-L90 HydrophobicContact CD2-CD1 4.3Å
80L79.1Confident83.1Confident34 Ų3439.8 Ų39.818%0.17819%0.192CC..Hα-helixtrans-64.4-34.9-178.9-70.2174.6000113.3L76 H77 S162 L169L76-L80 HydrophobicContact CD1-CD1 4.49Å; L76-L80 HydrophobicContact CD1-CG 4.43Å; L76-L80 HydrophobicContact CG-CD1 4.16Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 2.86Å; H77-L80 PolarHBondContact O-N 3.22Å; H77-L80 VanDerWaalsContact O-N 3.14Å; L80-S162 PolarHBondContact O-OG 2.88Å; L80-L169 HydrophobicContact CD1-CD1 3.49Å; L80-L169 VanDerWaalsContact CD1-CD1 3.49Å
81D70.8Confident82.7Confident47 Ų4742.4 Ų42.425%0.25120%0.204SC..Hα-helixtrans-85.4-30.6178.1-78.5-10000113.1H77 Y79 Y166H77-D81 WeakPolarHBondContact O-CB 3.42Å; H77-D81 PolarHBondContact O-N 2.98Å; Y79-D81 VanDerWaalsContact C-N 3.33Å; Y79-D81 PolarHBondContact O-N 3.27Å; D81-Y166 WeakPolarHBondContact OD1-CD2 3.46Å; D81-Y166 WeakPolarHBondContact OD1-CE2 3.37Å; D81-Y166 WeakPolarHBondContact OD2-CE2 3.36Å
82N62.4Low82.5Confident57 Ų5745 Ų4531%0.30522%0.218SC..  trans-141.569-172.3-169.314000111.5T45 A78 Y79 K84 A85T45-N82 HydrophobicContact CG2-CB 4.07Å; A78-N82 CarbonylContact O-C 3.5Å; A78-N82 WeakPolarHBondContact O-CA 3.44Å; A78-N82 WeakPolarHBondContact O-CB 3.39Å; A78-N82 PolarHBondContact O-N 3.17Å; Y79-N82 CarbonylContact O-C 3.59Å; Y79-N82 PolarHBondContact O-N 3.22Å; N82-K84 PolarHBondContact O-N 2.68Å; N82-A85 PolarHBondContact O-N 2.9Å
83M61Low82.3Confident111 Ų11146.7 Ų46.755%0.54722%0.224SC..THydrogen-bonded Turntrans-56.41.8178.8-61.5-170.7-60.800115.3Y79 L160Y79-M83 WeakPolarHBondContact O-CA 3.48Å; Y79-M83 WeakPolarHBondContact O-CG 3.4Å; Y79-M83 PolarHBondContact O-N 3.02Å; Y79-M83 VanDerWaalsContact O-N 3.1Å; M83-L160 HydrophobicContact CE-CD1 3.35Å; M83-L160 HydrophobicContact SD-CD1 4.28Å
84K56Low82.2Confident128 Ų12847 Ų4756%0.55723%0.226SC*.THydrogen-bonded Turntrans-83.3-14.8177.7-60.4-170178.5-168.40113.6N82N82-K84 PolarHBondContact O-N 2.68Å
85A65.6Low82.3Confident4 Ų452 Ų523%0.03325%0.247CC..SBendtrans-94.9118177.500000110.5N82 L89 L90N82-A85 PolarHBondContact O-N 2.9Å; A85-L89 HydrophobicContact CB-CD2 4.35Å; A85-L90 HydrophobicContact CB-CD2 3.77Å; A85-L90 HydrophobicContact CB-CG 3.93Å
86P80.8Confident82.6Confident70 Ų7052 Ų5246%0.45525%0.247SC..  trans-57.3152.2171-22.632.6000111.6E88 L89 L90P86-E88 WeakPolarHBondContact CB-OE2 3.37Å; P86-E88 PolarHBondContact O-N 3.06Å; P86-L89 HydrophobicContact CB-CB 4.49Å; P86-L89 WeakPolarHBondContact O-CA 3.48Å; P86-L89 WeakPolarHBondContact O-CB 3.46Å; P86-L89 PolarHBondContact O-N 3.01Å; P86-L90 PolarHBondContact O-N 3.45Å
87W82.1Confident82.9Confident94 Ų9451.3 Ų51.336%0.35624%0.243SC..Hα-helixtrans-55.3-38.5178.1-74.5105.9000112.3L76 Y79 L89 L90 E91 T121L76-W87 HydrophobicContact CD1-CH2 3.8Å; L76-W87 HydrophobicContact CD1-CZ2 4.49Å; Y79-W87 HydrophobicContact CD1-CH2 4.11Å; Y79-W87 AromaticContact CD1-CZ2 3.6Å; Y79-W87 HydrophobicContact CD1-CZ2 3.6Å; Y79-W87 HydrophobicContact CD2-CD2 4.42Å; Y79-W87 AromaticContact CD2-CE2 3.79Å; Y79-W87 HydrophobicContact CD2-CH2 4.45Å; Y79-W87 AromaticContact CD2-CZ2 3.82Å; Y79-W87 HydrophobicContact CD2-CZ2 3.82Å; Y79-W87 AromaticContact CD2-NE1 3.94Å; Y79-W87 AromaticContact CE1-CZ2 3.97Å; Y79-W87 HydrophobicContact CE1-CZ2 3.97Å; Y79-W87 AromaticContact CE2-CE2 3.97Å; Y79-W87 HydrophobicContact CE2-CZ2 4.17Å; Y79-W87 AromaticContact CE2-NE1 3.66Å; Y79-W87 AromaticContact CG-CE2 3.99Å; Y79-W87 AromaticContact CG-CH2 3.87Å; Y79-W87 HydrophobicContact CG-CH2 3.87Å; Y79-W87 AromaticContact CG-CZ2 3.51Å; Y79-W87 HydrophobicContact CG-CZ2 3.51Å; W87-L89 VanDerWaalsContact C-N 3.29Å; W87-L89 PolarHBondContact O-N 3.24Å; W87-L90 HydrophobicContact CE3-CD1 4.14Å; W87-L90 HydrophobicContact CZ3-CD1 4.4Å; W87-L90 PolarHBondContact O-N 2.94Å; W87-E91 WeakPolarHBondContact O-CG 3.39Å; W87-E91 PolarHBondContact O-N 3.31Å; W87-T121 HydrophobicContact CH2-CG2 4.27Å; W87-T121 HydrophobicContact CZ3-CG2 3.82Å
88E86.4Confident83.4Confident141 Ų14154.2 Ų54.266%0.65926%0.257SS*.Hα-helixtrans-62.7-37.3177-59.478.4-171.700112P86 L92P86-E88 WeakPolarHBondContact CB-OE2 3.37Å; P86-E88 PolarHBondContact O-N 3.06Å; E88-L92 WeakPolarHBondContact O-CG 3.4Å; E88-L92 PolarHBondContact O-N 3.28Å
89L88.6Confident84Confident34 Ų3456.6 Ų56.618%0.17827%0.268CS..Hα-helixtrans-72.8-38.1176.4-175.662000111.3A85 P86 W87 E91 L92 R93 A339 A340A85-L89 HydrophobicContact CB-CD2 4.35Å; P86-L89 HydrophobicContact CB-CB 4.49Å; P86-L89 WeakPolarHBondContact O-CA 3.48Å; P86-L89 WeakPolarHBondContact O-CB 3.46Å; P86-L89 PolarHBondContact O-N 3.01Å; W87-L89 VanDerWaalsContact C-N 3.29Å; W87-L89 PolarHBondContact O-N 3.24Å; L89-E91 VanDerWaalsContact C-N 3.35Å; L89-L92 WeakPolarHBondContact O-CB 3.26Å; L89-L92 PolarHBondContact O-N 2.96Å; L89-R93 WeakPolarHBondContact O-CG 3.4Å; L89-R93 PolarHBondContact O-N 3.46Å; L89-A339 WeakPolarHBondContact CD1-O 3.16Å; L89-A340 WeakPolarHBondContact CD1-O 3.38Å
90L87.7Confident84.7Confident1 Ų152.9 Ų52.91%0.00525%0.253CS..Hα-helixtrans-61.4-42.7175.5-71.2174.2000111.2A78 Y79 A85 P86 W87 L92 R93 V94A78-L90 HydrophobicContact CB-CD2 3.91Å; Y79-L90 HydrophobicContact CD2-CD1 4.3Å; A85-L90 HydrophobicContact CB-CD2 3.77Å; A85-L90 HydrophobicContact CB-CG 3.93Å; P86-L90 PolarHBondContact O-N 3.45Å; W87-L90 HydrophobicContact CE3-CD1 4.14Å; W87-L90 HydrophobicContact CZ3-CD1 4.4Å; W87-L90 PolarHBondContact O-N 2.94Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.46Å; L90-R93 CarbonylContact O-C 3.5Å; L90-R93 PolarHBondContact O-N 2.94Å; L90-R93 VanDerWaalsContact O-N 3.11Å; L90-V94 VanDerWaalsContact O-CG2 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 3.36Å
91E91.6Very high85.6Confident60 Ų6051.2 Ų51.228%0.2824%0.244SC..Hα-helixtrans-59.5-41174.5-70.9-66152.900112.4W87 L89 V94 K95 K119W87-E91 WeakPolarHBondContact O-CG 3.39Å; W87-E91 PolarHBondContact O-N 3.31Å; L89-E91 VanDerWaalsContact C-N 3.35Å; E91-V94 PolarHBondContact O-N 2.87Å; E91-K95 WeakPolarHBondContact O-CG 3.3Å; E91-K95 PolarHBondContact O-N 2.71Å; E91-K95 VanDerWaalsContact O-N 3.1Å; E91-K119 IonicContact OE1-NZ 3.73Å; E91-K119 PolarHBondContact OE1-NZ 3.44Å; E91-K119 IonicContact OE2-NZ 2.7Å; E91-K119 PolarHBondContact OE2-NZ 3.37Å
92L94.6Very high86.8Confident55 Ų5552.8 Ų52.829%0.28825%0.249SC..Hα-helixtrans-65.2-40174.8-70169000111.6E88 L89 L90 K95 Y96 L336 A339 A340E88-L92 WeakPolarHBondContact O-CG 3.4Å; E88-L92 PolarHBondContact O-N 3.28Å; L89-L92 WeakPolarHBondContact O-CB 3.26Å; L89-L92 PolarHBondContact O-N 2.96Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.46Å; L92-K95 PolarHBondContact O-N 3.5Å; L92-Y96 PolarHBondContact O-N 2.91Å; L92-L336 HydrophobicContact CD2-CD1 4.05Å; L92-A339 HydrophobicContact CD1-CB 3.97Å; L92-A339 HydrophobicContact CD2-CB 4.37Å; L92-A340 HydrophobicContact CB-CB 4.1Å
93R93.9Very high88.5Confident37 Ų3750.1 Ų50.114%0.1424%0.235CC..Hα-helixtrans-67.6-40.9176.2-72-178.9-179.8176.22.7112T44 T45 L89 L90 K95 Y96 Y97 A340 Y341T44-R93 WeakPolarHBondContact O-CB 3.34Å; T44-R93 VanDerWaalsContact O-CD 3.25Å; T44-R93 WeakPolarHBondContact O-CD 3.29Å; T45-R93 WeakPolarHBondContact O-CD 3.49Å; T45-R93 VanDerWaalsContact O-CZ 3.29Å; T45-R93 PolarHBondContact O-NH1 2.93Å; L89-R93 WeakPolarHBondContact O-CG 3.4Å; L89-R93 PolarHBondContact O-N 3.46Å; L90-R93 CarbonylContact O-C 3.5Å; L90-R93 PolarHBondContact O-N 2.94Å; L90-R93 VanDerWaalsContact O-N 3.11Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.49Å; R93-Y96 WeakPolarHBondContact O-CB 3.33Å; R93-Y96 PolarHBondContact O-N 2.96Å; R93-Y96 VanDerWaalsContact O-N 3.14Å; R93-Y97 WeakPolarHBondContact O-CB 3.49Å; R93-Y97 VanDerWaalsContact O-CD2 3.26Å; R93-Y97 WeakPolarHBondContact O-CD2 3.46Å; R93-Y97 PolarHBondContact O-N 3.2Å; R93-A340 HydrophobicContact CG-CB 4.1Å; R93-A340 PolarHBondContact NE-O 3.5Å; R93-A340 VanDerWaalsContact NE-O 3.15Å; R93-Y341 HydrophobicContact CG-CE1 4.26Å; R93-Y341 HydrophobicContact CG-CE2 4.45Å
94V95.2Very high90.2Very high8 Ų844.9 Ų44.95%0.04821%0.209CC..Hα-helixtrans-55.1-50.7172.8172.10000110T44 F73 D75 L90 E91 Y96 Y97 E98 K119T44-V94 HydrophobicContact CG2-CB 4.47Å; T44-V94 HydrophobicContact CG2-CG2 3.86Å; F73-V94 HydrophobicContact CB-CG1 3.89Å; F73-V94 HydrophobicContact CB-CG2 4.27Å; F73-V94 HydrophobicContact CD2-CG1 3.98Å; F73-V94 HydrophobicContact CG-CG1 3.96Å; D75-V94 HydrophobicContact CB-CG2 3.75Å; L90-V94 VanDerWaalsContact O-CG2 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 3.36Å; E91-V94 PolarHBondContact O-N 2.87Å; V94-Y96 VanDerWaalsContact C-N 3.32Å; V94-Y96 PolarHBondContact O-N 3.41Å; V94-Y97 PolarHBondContact O-N 3.47Å; V94-E98 WeakPolarHBondContact O-CB 3.5Å; V94-E98 PolarHBondContact O-N 3.02Å; V94-K119 HydrophobicContact CG1-CD 4.24Å; V94-K119 HydrophobicContact CG1-CG 4.4Å; V94-K119 HydrophobicContact CG2-CD 4.34Å; V94-K119 HydrophobicContact CG2-CG 4.47Å
95K96.5Very high92.1Very high111 Ų11138.8 Ų38.848%0.48318%0.183SC..Hα-helixtrans-59.6-41.4176.6-70.7172.7-176.8174.70112.4E91 L92 R93 Q99 L336E91-K95 WeakPolarHBondContact O-CG 3.3Å; E91-K95 PolarHBondContact O-N 2.71Å; E91-K95 VanDerWaalsContact O-N 3.1Å; L92-K95 PolarHBondContact O-N 3.5Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.49Å; K95-Q99 VanDerWaalsContact O-CG 3.3Å; K95-Q99 WeakPolarHBondContact O-CG 3.23Å; K95-Q99 PolarHBondContact O-N 3.41Å; K95-Q99 VanDerWaalsContact O-N 3.12Å; K95-L336 HydrophobicContact CB-CD1 3.97Å; K95-L336 HydrophobicContact CB-CD2 4.13Å
96Y96.7Very high93.6Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-62.4-47.7175.9176.3-84.2000111.7K47 P48 L92 R93 V94 E98 Q99 V100 L235 F328 T337 A340 Y341K47-Y96 WeakPolarHBondContact CE-OH 3.47Å; K47-Y96 HydrophobicContact CG-CE1 4.27Å; P48-Y96 HydrophobicContact CG-CE1 4.41Å; L92-Y96 PolarHBondContact O-N 2.91Å; R93-Y96 WeakPolarHBondContact O-CB 3.33Å; R93-Y96 PolarHBondContact O-N 2.96Å; R93-Y96 VanDerWaalsContact O-N 3.14Å; V94-Y96 VanDerWaalsContact C-N 3.32Å; V94-Y96 PolarHBondContact O-N 3.41Å; Y96-E98 VanDerWaalsContact C-N 3.33Å; Y96-E98 PolarHBondContact O-N 3.2Å; Y96-Q99 PolarHBondContact O-N 2.99Å; Y96-V100 HydrophobicContact CD1-CG1 4.31Å; Y96-V100 HydrophobicContact CE1-CB 4.18Å; Y96-V100 HydrophobicContact CE1-CG1 4.02Å; Y96-V100 WeakPolarHBondContact O-CB 3.5Å; Y96-V100 PolarHBondContact O-N 3.32Å; Y96-L235 HydrophobicContact CE2-CD1 4.5Å; Y96-F328 AromaticContact CD2-CE1 3.99Å; Y96-F328 HydrophobicContact CD2-CE1 3.99Å; Y96-F328 HydrophobicContact CE2-CD1 4.3Å; Y96-F328 AromaticContact CE2-CE1 3.64Å; Y96-F328 HydrophobicContact CE2-CE1 3.64Å; Y96-F328 HydrophobicContact CE2-CZ 4.49Å; Y96-T337 HydrophobicContact CD2-CG2 4.47Å; Y96-T337 HydrophobicContact CE2-CG2 3.82Å; Y96-T337 WeakPolarHBondContact CE2-OG1 3.34Å; Y96-A340 HydrophobicContact CG-CB 4.47Å; Y96-Y341 AromaticContact CD1-CE2 3.54Å; Y96-Y341 HydrophobicContact CD1-CE2 3.54Å; Y96-Y341 HydrophobicContact CD2-CD2 4.43Å; Y96-Y341 HydrophobicContact CD2-CE2 4.15Å; Y96-Y341 AromaticContact CE1-CE2 3.81Å; Y96-Y341 HydrophobicContact CE1-CE2 3.81Å; Y96-Y341 HydrophobicContact CE2-CD2 4.49Å; Y96-Y341 HydrophobicContact CE2-CE2 4.36Å; Y96-Y341 HydrophobicContact CG-CD2 4.43Å; Y96-Y341 AromaticContact CG-CE2 3.73Å; Y96-Y341 HydrophobicContact CG-CE2 3.73Å
97Y97.4Very high94.3Very high4 Ų440.5 Ų40.52%0.01619%0.186CC..Hα-helixtrans-59.7-43.5178.5-95.4-105.6000111.5T42 A43 T44 G46 P48 Y52 R93 V94 Q99 V100 I101 Y341T42-Y97 HydrophobicContact CG2-CD1 4.17Å; T42-Y97 HydrophobicContact CG2-CE1 4.46Å; A43-Y97 PolarHBondContact O-OH 3.48Å; A43-Y97 VanDerWaalsContact O-OH 3.09Å; T44-Y97 HydrophobicContact CG2-CD1 4.26Å; T44-Y97 HydrophobicContact CG2-CD2 4.01Å; T44-Y97 HydrophobicContact CG2-CE2 4.4Å; T44-Y97 HydrophobicContact CG2-CG 3.9Å; G46-Y97 VanDerWaalsContact O-CE2 3.28Å; G46-Y97 WeakPolarHBondContact O-CE2 3.4Å; G46-Y97 PolarHBondContact O-OH 2.95Å; P48-Y97 HydrophobicContact CG-CD1 3.93Å; P48-Y97 HydrophobicContact CG-CD2 4.26Å; P48-Y97 HydrophobicContact CG-CE1 3.58Å; P48-Y97 HydrophobicContact CG-CE2 3.95Å; P48-Y97 HydrophobicContact CG-CG 4.28Å; Y52-Y97 HydrophobicContact CE1-CD1 4.48Å; Y52-Y97 AromaticContact CE1-CE1 3.96Å; Y52-Y97 HydrophobicContact CE1-CE1 3.96Å; R93-Y97 WeakPolarHBondContact O-CB 3.49Å; R93-Y97 VanDerWaalsContact O-CD2 3.26Å; R93-Y97 WeakPolarHBondContact O-CD2 3.46Å; R93-Y97 PolarHBondContact O-N 3.2Å; V94-Y97 PolarHBondContact O-N 3.47Å; Y97-Q99 PolarHBondContact O-N 3.43Å; Y97-V100 WeakPolarHBondContact O-CG1 3.23Å; Y97-V100 PolarHBondContact O-N 2.93Å; Y97-I101 HydrophobicContact CD1-CD1 4.34Å; Y97-I101 VanDerWaalsContact O-CB 3.3Å; Y97-I101 WeakPolarHBondContact O-CB 3.46Å; Y97-I101 WeakPolarHBondContact O-CG1 3.23Å; Y97-I101 PolarHBondContact O-N 3.41Å; Y97-Y341 WeakPolarHBondContact CE2-OH 3.23Å
98E97.4Very high94.9Very high64 Ų6436.8 Ų36.830%0.29917%0.174SC..Hα-helixtrans-57-50.9175.3-165.8-169.1139.300111.7F73 V94 Y96 V100 K102 F117F73-E98 HydrophobicContact CE2-CB 3.87Å; F73-E98 HydrophobicContact CE2-CG 3.94Å; F73-E98 HydrophobicContact CZ-CB 3.9Å; F73-E98 HydrophobicContact CZ-CG 4.21Å; V94-E98 WeakPolarHBondContact O-CB 3.5Å; V94-E98 PolarHBondContact O-N 3.02Å; Y96-E98 VanDerWaalsContact C-N 3.33Å; Y96-E98 PolarHBondContact O-N 3.2Å; E98-V100 PolarHBondContact O-N 3.14Å; E98-K102 VanDerWaalsContact O-CB 3.23Å; E98-K102 WeakPolarHBondContact O-CB 3.43Å; E98-K102 PolarHBondContact O-N 3.42Å; E98-F117 HydrophobicContact CG-CD2 3.24Å; E98-F117 HydrophobicContact CG-CE2 3.5Å; E98-F117 VanDerWaalsContact CG-CE2 3.5Å; E98-F117 HydrophobicContact CG-CG 4.05Å; E98-F117 HydrophobicContact CG-CZ 4.48Å
99Q97.6Very high95.3Very high50 Ų5032.9 Ų32.923%0.23417%0.171CC..Hα-helixtrans-67.1-38.4-178.6-65.9-59.1-42.600112.4K95 Y96 Y97 A103 F328 L333 L336K95-Q99 VanDerWaalsContact O-CG 3.3Å; K95-Q99 WeakPolarHBondContact O-CG 3.23Å; K95-Q99 PolarHBondContact O-N 3.41Å; K95-Q99 VanDerWaalsContact O-N 3.12Å; Y96-Q99 PolarHBondContact O-N 2.99Å; Y97-Q99 PolarHBondContact O-N 3.43Å; Q99-A103 WeakPolarHBondContact O-CB 3.39Å; Q99-A103 PolarHBondContact O-N 2.93Å; Q99-F328 HydrophobicContact CB-CZ 3.96Å; Q99-L333 HydrophobicContact CB-CD2 4.01Å; Q99-L333 HydrophobicContact CG-CD2 3.72Å; Q99-L336 HydrophobicContact CG-CD2 4.29Å
100V97.1Very high95.5Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-74-42.3-17880.30000111.5P48 Y96 Y97 E98 K102 A103 M104 L234 I324 F328P48-V100 HydrophobicContact CB-CG1 4.38Å; P48-V100 HydrophobicContact CG-CG1 4.12Å; Y96-V100 HydrophobicContact CD1-CG1 4.31Å; Y96-V100 HydrophobicContact CE1-CB 4.18Å; Y96-V100 HydrophobicContact CE1-CG1 4.02Å; Y96-V100 WeakPolarHBondContact O-CB 3.5Å; Y96-V100 PolarHBondContact O-N 3.32Å; Y97-V100 WeakPolarHBondContact O-CG1 3.23Å; Y97-V100 PolarHBondContact O-N 2.93Å; E98-V100 PolarHBondContact O-N 3.14Å; V100-K102 VanDerWaalsContact C-N 3.34Å; V100-K102 PolarHBondContact O-N 3.49Å; V100-A103 WeakPolarHBondContact O-CB 3.3Å; V100-A103 PolarHBondContact O-N 2.88Å; V100-M104 VanDerWaalsContact O-CG 3.27Å; V100-M104 WeakPolarHBondContact O-CG 3.35Å; V100-M104 PolarHBondContact O-N 2.81Å; V100-L234 HydrophobicContact CG2-CB 4.43Å; V100-L234 HydrophobicContact CG2-CD1 3.5Å; V100-I324 HydrophobicContact CG2-CG2 4.47Å; V100-F328 HydrophobicContact CB-CE2 4.18Å; V100-F328 HydrophobicContact CB-CZ 3.7Å; V100-F328 HydrophobicContact CG2-CE2 4.2Å; V100-F328 HydrophobicContact CG2-CZ 4.05Å
101I97.6Very high95.7Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-62.7-44.2175.2-76.6163.1000110.3W40 T42 M56 I71 F73 Y97 A103 M104 L105 F117W40-I101 HydrophobicContact CH2-CD1 4.47Å; W40-I101 HydrophobicContact CZ3-CD1 3.97Å; T42-I101 HydrophobicContact CG2-CD1 4.25Å; M56-I101 HydrophobicContact SD-CB 4.4Å; M56-I101 HydrophobicContact SD-CG1 4.21Å; M56-I101 HydrophobicContact SD-CG2 3.73Å; I71-I101 HydrophobicContact CD1-CG2 3.72Å; I71-I101 HydrophobicContact CG2-CD1 4.4Å; F73-I101 HydrophobicContact CE1-CD1 3.76Å; F73-I101 HydrophobicContact CZ-CD1 4.26Å; Y97-I101 HydrophobicContact CD1-CD1 4.34Å; Y97-I101 VanDerWaalsContact O-CB 3.3Å; Y97-I101 WeakPolarHBondContact O-CB 3.46Å; Y97-I101 WeakPolarHBondContact O-CG1 3.23Å; Y97-I101 PolarHBondContact O-N 3.41Å; I101-A103 VanDerWaalsContact C-N 3.32Å; I101-A103 PolarHBondContact O-N 2.93Å; I101-M104 PolarHBondContact O-N 3.37Å; I101-L105 HydrophobicContact CG2-CD1 4.02Å; I101-L105 WeakPolarHBondContact O-CG 3.45Å; I101-L105 PolarHBondContact O-N 3.12Å; I101-F117 HydrophobicContact CG2-CE1 4.16Å; I101-F117 HydrophobicContact CG2-CZ 4.12Å
102K97Very high95.9Very high79 Ų7933.9 Ų33.934%0.34318%0.183SC..Hα-helixtrans-58.7-44.7174.8-172.9172.9-177.6173.60111.5E98 V100 M104 L105 E106 L112 F117E98-K102 VanDerWaalsContact O-CB 3.23Å; E98-K102 WeakPolarHBondContact O-CB 3.43Å; E98-K102 PolarHBondContact O-N 3.42Å; V100-K102 VanDerWaalsContact C-N 3.34Å; V100-K102 PolarHBondContact O-N 3.49Å; K102-M104 PolarHBondContact O-N 3.28Å; K102-L105 PolarHBondContact O-N 3.46Å; K102-E106 VanDerWaalsContact CE-OE1 3.23Å; K102-E106 WeakPolarHBondContact CE-OE1 3.45Å; K102-E106 WeakPolarHBondContact CG-OE1 3.5Å; K102-E106 WeakPolarHBondContact O-CB 3.48Å; K102-E106 VanDerWaalsContact O-CG 3.26Å; K102-E106 WeakPolarHBondContact O-CG 3.21Å; K102-E106 PolarHBondContact O-N 3.47Å; K102-L112 HydrophobicContact CG-CD1 3.92Å; K102-F117 HydrophobicContact CB-CE2 4.34Å; K102-F117 HydrophobicContact CB-CZ 4.41Å
103A97.3Very high96Very high2 Ų239 Ų392%0.01721%0.205CC..Hα-helixtrans-63.2-38.1176.600000113.1Q99 V100 I101 S107 I324 K327 F328Q99-A103 WeakPolarHBondContact O-CB 3.39Å; Q99-A103 PolarHBondContact O-N 2.93Å; V100-A103 WeakPolarHBondContact O-CB 3.3Å; V100-A103 PolarHBondContact O-N 2.88Å; I101-A103 VanDerWaalsContact C-N 3.32Å; I101-A103 PolarHBondContact O-N 2.93Å; A103-S107 WeakPolarHBondContact O-CB 3.43Å; A103-S107 PolarHBondContact O-N 3.2Å; A103-I324 HydrophobicContact CB-CB 4.42Å; A103-I324 HydrophobicContact CB-CG1 4.15Å; A103-I324 HydrophobicContact CB-CG2 4.09Å; A103-K327 HydrophobicContact CB-CD 3.87Å; A103-F328 HydrophobicContact CB-CE2 4.04Å
104M97.4Very high96.1Very high0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-64.1-46.9176.3-69.9174.579.700111.5F53 M56 V100 I101 K102 S107 I108 L234 I324F53-M104 HydrophobicContact CB-CE 4.23Å; F53-M104 HydrophobicContact CD1-CE 3.5Å; F53-M104 VanDerWaalsContact CD1-CE 3.5Å; F53-M104 HydrophobicContact CD2-CE 3.75Å; F53-M104 HydrophobicContact CE1-CB 4.15Å; F53-M104 HydrophobicContact CE1-CE 3.68Å; F53-M104 HydrophobicContact CE1-CG 4.18Å; F53-M104 HydrophobicContact CE2-CE 3.91Å; F53-M104 HydrophobicContact CG-CE 3.53Å; F53-M104 HydrophobicContact CZ-CE 3.89Å; F53-M104 HydrophobicContact CZ-CG 4.24Å; M56-M104 HydrophobicContact CB-CE 4.3Å; M56-M104 HydrophobicContact CG-CB 4.3Å; M56-M104 HydrophobicContact CG-CE 3.75Å; M56-M104 HydrophobicContact CG-SD 4.04Å; V100-M104 VanDerWaalsContact O-CG 3.27Å; V100-M104 WeakPolarHBondContact O-CG 3.35Å; V100-M104 PolarHBondContact O-N 2.81Å; I101-M104 PolarHBondContact O-N 3.37Å; K102-M104 PolarHBondContact O-N 3.28Å; M104-S107 PolarHBondContact O-N 3.42Å; M104-I108 WeakPolarHBondContact O-CB 3.5Å; M104-I108 VanDerWaalsContact O-CG1 3.28Å; M104-I108 WeakPolarHBondContact O-CG1 3.29Å; M104-I108 PolarHBondContact O-N 3.45Å; M104-L234 HydrophobicContact CE-CD1 4.29Å; M104-L234 HydrophobicContact CE-CD2 4.06Å; M104-L234 HydrophobicContact CG-CD1 4.28Å; M104-L234 HydrophobicContact SD-CD1 3.56Å; M104-L234 VanDerWaalsContact SD-CD1 3.56Å; M104-L234 HydrophobicContact SD-CD2 4.32Å; M104-I324 HydrophobicContact CB-CD1 4.38Å; M104-I324 HydrophobicContact CG-CD1 3.71Å
105L96.6Very high96.3Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-68.9-37179.7-65.5171.2000112.2M56 I59 L63 I101 K102 I108 G109 V110 L112 L115M56-L105 HydrophobicContact CB-CD2 4.37Å; M56-L105 HydrophobicContact SD-CD1 4.43Å; M56-L105 HydrophobicContact SD-CD2 4.13Å; M56-L105 HydrophobicContact SD-CG 4.15Å; I59-L105 HydrophobicContact CB-CD2 4.29Å; I59-L105 HydrophobicContact CG2-CD1 4.06Å; I59-L105 HydrophobicContact CG2-CD2 3.89Å; L63-L105 HydrophobicContact CD1-CD1 4.43Å; I101-L105 HydrophobicContact CG2-CD1 4.02Å; I101-L105 WeakPolarHBondContact O-CG 3.45Å; I101-L105 PolarHBondContact O-N 3.12Å; K102-L105 PolarHBondContact O-N 3.46Å; L105-I108 HydrophobicContact CD2-CD1 4.37Å; L105-I108 PolarHBondContact O-N 2.96Å; L105-G109 PolarHBondContact O-N 2.85Å; L105-V110 HydrophobicContact CB-CG2 3.92Å; L105-V110 HydrophobicContact CD2-CG2 3.98Å; L105-V110 WeakPolarHBondContact O-CG2 3.36Å; L105-V110 PolarHBondContact O-N 3.49Å; L105-L112 HydrophobicContact CB-CD2 3.67Å; L105-L112 HydrophobicContact CD1-CD2 4.16Å; L105-L115 HydrophobicContact CD1-CD2 3.48Å; L105-L115 VanDerWaalsContact CD1-CD2 3.48Å
106E96.1Very high96.3Very high86 Ų8642.2 Ų42.240%0.40222%0.217SC..Hα-helixtrans-61.6-42.6169.9-74.8168.2-173.400111.4K102 I108 G109 L112 K327K102-E106 VanDerWaalsContact CE-OE1 3.23Å; K102-E106 WeakPolarHBondContact CE-OE1 3.45Å; K102-E106 WeakPolarHBondContact CG-OE1 3.5Å; K102-E106 WeakPolarHBondContact O-CB 3.48Å; K102-E106 VanDerWaalsContact O-CG 3.26Å; K102-E106 WeakPolarHBondContact O-CG 3.21Å; K102-E106 PolarHBondContact O-N 3.47Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 3.13Å; E106-G109 WeakPolarHBondContact O-CA 3.26Å; E106-G109 PolarHBondContact O-N 3.24Å; E106-L112 HydrophobicContact CG-CD1 3.98Å; E106-K327 IonicContact OE1-NZ 3.93Å; E106-K327 PolarHBondContact OE1-NZ 3.04Å; E106-K327 VanDerWaalsContact OE1-NZ 3.08Å; E106-K327 IonicContact OE2-NZ 3.41Å; E106-K327 PolarHBondContact OE2-NZ 3.24Å
107S95.9Very high96.4Very high24 Ų2445 Ų4517%0.16823%0.229CC..Hα-helixtrans-67.6-30.3176.9-172.40000113.2A103 M104 G109 L320 P323A103-S107 WeakPolarHBondContact O-CB 3.43Å; A103-S107 PolarHBondContact O-N 3.2Å; M104-S107 PolarHBondContact O-N 3.42Å; S107-G109 VanDerWaalsContact C-N 3.26Å; S107-L320 PolarHBondContact OG-O 3.05Å; S107-P323 WeakPolarHBondContact OG-CG 3.33Å
108I95.1Very high96.4Very high17 Ų1747 Ų479%0.08724%0.24CC..Hα-helixtrans-71.2-26.3171.7-74.7164.5000110.9F53 M56 A60 M104 L105 E106 V110 L271F53-I108 HydrophobicContact CD1-CD1 4.17Å; F53-I108 HydrophobicContact CE1-CD1 4.39Å; F53-I108 HydrophobicContact CE1-CG1 4.44Å; M56-I108 HydrophobicContact CB-CD1 4.04Å; A60-I108 HydrophobicContact CB-CG2 3.69Å; M104-I108 WeakPolarHBondContact O-CB 3.5Å; M104-I108 VanDerWaalsContact O-CG1 3.28Å; M104-I108 WeakPolarHBondContact O-CG1 3.29Å; M104-I108 PolarHBondContact O-N 3.45Å; L105-I108 HydrophobicContact CD2-CD1 4.37Å; L105-I108 PolarHBondContact O-N 2.96Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 3.13Å; I108-V110 HydrophobicContact CG2-CG1 3.99Å; I108-V110 HydrophobicContact CG2-CG2 4.2Å; I108-L271 HydrophobicContact CB-CD2 4.12Å; I108-L271 HydrophobicContact CD1-CD1 4.46Å; I108-L271 HydrophobicContact CD1-CD2 4.12Å; I108-L271 HydrophobicContact CG1-CD1 3.92Å; I108-L271 HydrophobicContact CG1-CD2 3.75Å; I108-L271 HydrophobicContact CG1-CG 4.5Å; I108-L271 HydrophobicContact CG2-CD2 3.4Å
109G94.2Very high96.4Very high59 Ų5945.8 Ų45.861%0.60823%0.233SC*.THydrogen-bonded Turntrans81.441.3178.800000113.3L105 E106 S107L105-G109 PolarHBondContact O-N 2.85Å; E106-G109 WeakPolarHBondContact O-CA 3.26Å; E106-G109 PolarHBondContact O-N 3.24Å; S107-G109 VanDerWaalsContact C-N 3.26Å
110V93.4Very high96.4Very high11 Ų1143.4 Ų43.47%0.06722%0.222CC..  trans-103.9147.3174.2-76.70000113.7A60 L63 R64 L105 I108 L112A60-V110 HydrophobicContact CB-CG1 3.7Å; A60-V110 HydrophobicContact CB-CG2 4.15Å; L63-V110 HydrophobicContact CD1-CB 4.49Å; L63-V110 HydrophobicContact CD1-CG2 3.99Å; R64-V110 HydrophobicContact CG-CG1 3.81Å; L105-V110 HydrophobicContact CB-CG2 3.92Å; L105-V110 HydrophobicContact CD2-CG2 3.98Å; L105-V110 WeakPolarHBondContact O-CG2 3.36Å; L105-V110 PolarHBondContact O-N 3.49Å; I108-V110 HydrophobicContact CG2-CG1 3.99Å; I108-V110 HydrophobicContact CG2-CG2 4.2Å; V110-L112 HydrophobicContact CG2-CD2 4.24Å; V110-L112 WeakPolarHBondContact O-CD2 3.38Å
111P91Very high96.3Very high67 Ų6744.7 Ų44.744%0.43523%0.23SC..  trans-60.5135.9171.723.1-31.7000111.2E113P111-E113 WeakPolarHBondContact CA-OE2 3.27Å; P111-E113 WeakPolarHBondContact CB-OE2 3.09Å
112L95.7Very high96.3Very high38 Ų3849.8 Ų49.820%0.19926%0.257CS..  trans-109.84.7-177.1-53.4-172.9000113.1L63 K102 L105 E106 V110 K114 L115L63-L112 HydrophobicContact CD1-CD2 4.29Å; K102-L112 HydrophobicContact CG-CD1 3.92Å; L105-L112 HydrophobicContact CB-CD2 3.67Å; L105-L112 HydrophobicContact CD1-CD2 4.16Å; E106-L112 HydrophobicContact CG-CD1 3.98Å; V110-L112 HydrophobicContact CG2-CD2 4.24Å; V110-L112 WeakPolarHBondContact O-CD2 3.38Å; L112-K114 PolarHBondContact O-N 2.86Å; L112-L115 HydrophobicContact CB-CB 4.41Å; L112-L115 HydrophobicContact CD2-CD2 4.01Å; L112-L115 WeakPolarHBondContact O-CB 3.42Å; L112-L115 PolarHBondContact O-N 2.95Å
113E96.4Very high96.3Very high161 Ų16147.3 Ų47.375%0.75225%0.247SC*.THydrogen-bonded Turntrans-64.2-29.8-173.6-62.372.3-157.300112.2P111P111-E113 WeakPolarHBondContact CA-OE2 3.27Å; P111-E113 WeakPolarHBondContact CB-OE2 3.09Å
114K96.8Very high96.3Very high82 Ų8247.5 Ų47.536%0.35725%0.247SC..THydrogen-bonded Turntrans-99.16.8177.4-67.9-175.1173.8178.30113.5E35 L63 G66 C67 V69 L112E35-K114 IonicContact OE1-NZ 3.91Å; L63-K114 HydrophobicContact CD2-CB 4.41Å; G66-K114 VanDerWaalsContact O-CD 3.27Å; G66-K114 WeakPolarHBondContact O-CD 3.43Å; G66-K114 PolarHBondContact O-NZ 3.18Å; C67-K114 WeakPolarHBondContact O-CB 3.34Å; V69-K114 PolarHBondContact N-O 2.92Å; L112-K114 PolarHBondContact O-N 2.86Å
115L98.1Very high96.3Very high23 Ų2352.9 Ų52.912%0.1228%0.276CS..EExtended strand (participates in β ladder)trans-89.2128.2175-177.765.4000109.9L63 V69 I71 L105 L112 F117L63-L115 HydrophobicContact CD2-CB 4.18Å; V69-L115 HydrophobicContact CB-CD1 4.11Å; V69-L115 HydrophobicContact CG1-CD1 3.94Å; V69-L115 CarbonylContact O-C 3.57Å; V69-L115 WeakPolarHBondContact O-CA 3.35Å; I71-L115 HydrophobicContact CD1-CD1 4.01Å; I71-L115 HydrophobicContact CG1-CD1 4Å; L105-L115 HydrophobicContact CD1-CD2 3.48Å; L105-L115 VanDerWaalsContact CD1-CD2 3.48Å; L112-L115 HydrophobicContact CB-CB 4.41Å; L112-L115 HydrophobicContact CD2-CD2 4.01Å; L112-L115 WeakPolarHBondContact O-CB 3.42Å; L112-L115 PolarHBondContact O-N 2.95Å; L115-F117 HydrophobicContact CD1-CE1 4.09Å; L115-F117 HydrophobicContact CD2-CE1 3.66Å; L115-F117 HydrophobicContact CD2-CZ 3.62Å; L115-F117 HydrophobicContact CG-CD1 4.4Å; L115-F117 HydrophobicContact CG-CE1 3.82Å; L115-F117 HydrophobicContact CG-CZ 4.2Å
116R98Very high96.4Very high120 Ų12054.7 Ų54.745%0.45329%0.288SS..EExtended strand (participates in β ladder)trans-121.5141174.9-72.4-176.8-75.6-149.8-8.5110.6E68 V69 T70 I71E68-R116 IonicContact OE2-CZ 2.74Å; E68-R116 IonicContact OE2-NH1 2.79Å; E68-R116 IonicContact OE2-NH2 3.68Å; E68-R116 PolarHBondContact OE2-NH2 3.25Å; V69-R116 PolarHBondContact O-N 2.94Å; T70-R116 CarbonylContact C-O 3.59Å; T70-R116 WeakPolarHBondContact CA-O 3.28Å; I71-R116 PolarHBondContact N-O 3.25Å
117F98.4Very high96.5Very high57 Ų5760.6 Ų60.625%0.2531%0.306CS..EExtended strand (participates in β ladder)trans-110.7129.7174-66.8-29.1000109I71 F73 E98 I101 K102 L115I71-F117 HydrophobicContact CB-CD1 3.9Å; I71-F117 HydrophobicContact CB-CE1 4.07Å; I71-F117 HydrophobicContact CD1-CE1 4.1Å; I71-F117 HydrophobicContact CG1-CE1 4.37Å; F73-F117 HydrophobicContact CD2-CB 4.48Å; F73-F117 HydrophobicContact CE2-CB 3.79Å; F73-F117 AromaticContact CE2-CD1 3.99Å; F73-F117 HydrophobicContact CE2-CD1 3.99Å; F73-F117 HydrophobicContact CE2-CD2 4.41Å; F73-F117 AromaticContact CE2-CG 3.81Å; F73-F117 HydrophobicContact CE2-CG 3.81Å; F73-F117 HydrophobicContact CZ-CD1 4.09Å; F73-F117 HydrophobicContact CZ-CE1 4.39Å; F73-F117 HydrophobicContact CZ-CG 4.27Å; E98-F117 HydrophobicContact CG-CD2 3.24Å; E98-F117 HydrophobicContact CG-CE2 3.5Å; E98-F117 VanDerWaalsContact CG-CE2 3.5Å; E98-F117 HydrophobicContact CG-CG 4.05Å; E98-F117 HydrophobicContact CG-CZ 4.48Å; I101-F117 HydrophobicContact CG2-CE1 4.16Å; I101-F117 HydrophobicContact CG2-CZ 4.12Å; K102-F117 HydrophobicContact CB-CE2 4.34Å; K102-F117 HydrophobicContact CB-CZ 4.41Å; L115-F117 HydrophobicContact CD1-CE1 4.09Å; L115-F117 HydrophobicContact CD2-CE1 3.66Å; L115-F117 HydrophobicContact CD2-CZ 3.62Å; L115-F117 HydrophobicContact CG-CD1 4.4Å; L115-F117 HydrophobicContact CG-CE1 3.82Å; L115-F117 HydrophobicContact CG-CZ 4.2Å
118I98.1Very high96.6Very high47 Ų4764.9 Ų64.924%0.24132%0.324CS..EExtended strand (participates in β ladder)trans-133.3137178.3-64.1-178.7000107.5T70 I71 L72 F73 F123 L177T70-I118 HydrophobicContact CG2-CB 4.35Å; T70-I118 HydrophobicContact CG2-CD1 3.84Å; T70-I118 HydrophobicContact CG2-CG1 4.1Å; I71-I118 PolarHBondContact O-N 3.43Å; I71-I118 VanDerWaalsContact O-N 3.1Å; L72-I118 CarbonylContact C-O 3.54Å; L72-I118 WeakPolarHBondContact CA-O 3.06Å; L72-I118 HydrophobicContact CD1-CG2 4.24Å; F73-I118 PolarHBondContact N-O 3Å; I118-F123 HydrophobicContact CG2-CD1 4Å; I118-F123 HydrophobicContact CG2-CE1 3.93Å; I118-L177 HydrophobicContact CB-CD2 4.35Å; I118-L177 HydrophobicContact CD1-CD2 3.75Å; I118-L177 HydrophobicContact CG2-CD2 4.04Å
119K97.1Very high96.8Very high38 Ų3864.1 Ų64.117%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-94.8140.5173-176.4179.960.7164.80109.1D75 E91 V94 T121 D122D75-K119 HydrophobicContact CB-CG 4.18Å; D75-K119 WeakPolarHBondContact OD1-CG 3.43Å; D75-K119 VanDerWaalsContact OD2-CD 3.32Å; D75-K119 WeakPolarHBondContact OD2-CD 3.39Å; D75-K119 VanDerWaalsContact OD2-CG 3.29Å; D75-K119 WeakPolarHBondContact OD2-CG 3.27Å; E91-K119 IonicContact OE1-NZ 3.73Å; E91-K119 PolarHBondContact OE1-NZ 3.44Å; E91-K119 IonicContact OE2-NZ 2.7Å; E91-K119 PolarHBondContact OE2-NZ 3.37Å; V94-K119 HydrophobicContact CG1-CD 4.24Å; V94-K119 HydrophobicContact CG1-CG 4.4Å; V94-K119 HydrophobicContact CG2-CD 4.34Å; V94-K119 HydrophobicContact CG2-CG 4.47Å; K119-T121 VanDerWaalsContact C-N 3.33Å; K119-T121 WeakPolarHBondContact CD-OG1 3.08Å; K119-T121 WeakPolarHBondContact CE-OG1 3.26Å; K119-T121 PolarHBondContact O-N 3.43Å; K119-D122 WeakPolarHBondContact CB-OD2 3.29Å; K119-D122 VanDerWaalsContact CE-OD1 3.22Å; K119-D122 WeakPolarHBondContact CE-OD1 3.23Å; K119-D122 PolarHBondContact N-OD2 3.47Å; K119-D122 WeakPolarHBondContact O-CB 3.3Å; K119-D122 PolarHBondContact O-N 2.92Å
120G96.4Very high97Very high0 Ų063.5 Ų63.50%031%0.305CS..G310 helixtrans-56.5-46.5-177.100000112.7F73 D75 D122 F123 Q124F73-G120 PolarHBondContact O-N 3.32Å; D75-G120 WeakPolarHBondContact OD1-CA 3.02Å; D75-G120 PolarHBondContact OD1-N 3.25Å; D75-G120 VanDerWaalsContact OD1-N 3.07Å; G120-D122 PolarHBondContact O-N 3.1Å; G120-F123 PolarHBondContact O-N 2.79Å; G120-F123 VanDerWaalsContact O-N 3.16Å; G120-Q124 VanDerWaalsContact C-OE1 3.31Å; G120-Q124 VanDerWaalsContact CA-OE1 3.23Å; G120-Q124 VanDerWaalsContact O-CB 3.23Å; G120-Q124 WeakPolarHBondContact O-CB 3.35Å; G120-Q124 WeakPolarHBondContact O-CG 3.44Å; G120-Q124 PolarHBondContact O-N 2.92Å; G120-Q124 PolarHBondContact O-OE1 3.39Å
121T95.6Very high97.2Very high28 Ų2866.9 Ų66.917%0.17232%0.322CS..G310 helixtrans-61.9-12.7177.452.20000114.9D75 L76 W87 K119 F123 L125D75-T121 PolarHBondContact OD1-N 3.07Å; D75-T121 WeakPolarHBondContact OD2-CB 3.5Å; D75-T121 WeakPolarHBondContact OD2-CG2 3.25Å; D75-T121 PolarHBondContact OD2-OG1 3.26Å; L76-T121 HydrophobicContact CB-CG2 4.15Å; W87-T121 HydrophobicContact CH2-CG2 4.27Å; W87-T121 HydrophobicContact CZ3-CG2 3.82Å; K119-T121 VanDerWaalsContact C-N 3.33Å; K119-T121 WeakPolarHBondContact CD-OG1 3.08Å; K119-T121 WeakPolarHBondContact CE-OG1 3.26Å; K119-T121 PolarHBondContact O-N 3.43Å; T121-F123 PolarHBondContact O-N 3.43Å; T121-L125 HydrophobicContact CG2-CD1 4.35Å
122D96.9Very high97.6Very high106 Ų10663.9 Ų63.957%0.56730%0.302SS*.G310 helixtrans-65.8-26.5175-61.9-22.5000112.4K119 G120K119-D122 WeakPolarHBondContact CB-OD2 3.29Å; K119-D122 VanDerWaalsContact CE-OD1 3.22Å; K119-D122 WeakPolarHBondContact CE-OD1 3.23Å; K119-D122 PolarHBondContact N-OD2 3.47Å; K119-D122 WeakPolarHBondContact O-CB 3.3Å; K119-D122 PolarHBondContact O-N 2.92Å; G120-D122 PolarHBondContact O-N 3.1Å
123F98Very high97.7Very high28 Ų2863.4 Ų63.412%0.12330%0.301CS..THydrogen-bonded Turntrans-138-23.7-177.871.8-86.6000114.9L72 I118 G120 T121 L125 S126 Y129 D173 Y176 L177L72-F123 HydrophobicContact CD1-CE1 3.85Å; L72-F123 HydrophobicContact CD1-CZ 4.3Å; I118-F123 HydrophobicContact CG2-CD1 4Å; I118-F123 HydrophobicContact CG2-CE1 3.93Å; G120-F123 PolarHBondContact O-N 2.79Å; G120-F123 VanDerWaalsContact O-N 3.16Å; T121-F123 PolarHBondContact O-N 3.43Å; F123-L125 PolarHBondContact O-N 3.11Å; F123-L125 VanDerWaalsContact O-N 3.12Å; F123-S126 WeakPolarHBondContact O-CB 3.42Å; F123-S126 PolarHBondContact O-N 2.98Å; F123-S126 PolarHBondContact O-OG 3.37Å; F123-Y129 AromaticContact CD2-CD2 3.81Å; F123-Y129 HydrophobicContact CD2-CD2 3.81Å; F123-Y129 HydrophobicContact CD2-CE2 4.1Å; F123-Y129 AromaticContact CE2-CD2 3.87Å; F123-Y129 HydrophobicContact CE2-CD2 3.87Å; F123-Y129 AromaticContact CE2-CE2 3.67Å; F123-Y129 HydrophobicContact CE2-CE2 3.67Å; F123-Y129 WeakPolarHBondContact O-CB 3.46Å; F123-D173 WeakPolarHBondContact CE2-OD1 3.46Å; F123-D173 VanDerWaalsContact CZ-OD1 3.23Å; F123-D173 WeakPolarHBondContact CZ-OD1 3.35Å; F123-Y176 HydrophobicContact CD2-CD1 4.2Å; F123-Y176 HydrophobicContact CD2-CG 4.14Å; F123-Y176 HydrophobicContact CE2-CG 4.35Å; F123-L177 HydrophobicContact CE1-CD2 3.79Å; F123-L177 HydrophobicContact CE1-CG 4.47Å; F123-L177 HydrophobicContact CZ-CD2 4Å; F123-L177 HydrophobicContact CZ-CG 4.18Å
124Q98Very high97.8Very high5 Ų563.2 Ų63.22%0.02329%0.294CS..THydrogen-bonded Turntrans-69.1-11.9-174.2-68.9173.9-25.900113.8L76 H77 G120 Y129 D173L76-Q124 HydrophobicContact CD2-CB 3.78Å; H77-Q124 PolarHBondContact CE1-NE2 2.97Å; H77-Q124 VanDerWaalsContact CE1-NE2 3.25Å; G120-Q124 VanDerWaalsContact C-OE1 3.31Å; G120-Q124 VanDerWaalsContact CA-OE1 3.23Å; G120-Q124 VanDerWaalsContact O-CB 3.23Å; G120-Q124 WeakPolarHBondContact O-CB 3.35Å; G120-Q124 WeakPolarHBondContact O-CG 3.44Å; G120-Q124 PolarHBondContact O-N 2.92Å; G120-Q124 PolarHBondContact O-OE1 3.39Å; Q124-Y129 HydrophobicContact CB-CD1 4.17Å; Q124-Y129 HydrophobicContact CB-CE1 3.86Å; Q124-Y129 HydrophobicContact CG-CE1 4.03Å; Q124-Y129 HydrophobicContact CG-CE2 4.11Å; Q124-Y129 WeakPolarHBondContact O-CD1 3.49Å; Q124-D173 VanDerWaalsContact NE2-CG 3.3Å; Q124-D173 PolarHBondContact NE2-OD1 3.32Å; Q124-D173 PolarHBondContact NE2-OD2 2.89Å; Q124-D173 VanDerWaalsContact NE2-OD2 3.12Å
125L96.9Very high97.8Very high114 Ų11465.1 Ų65.160%0.59730%0.299SS*.THydrogen-bonded Turntrans-103.63.7174.2-57.2179.2000112.7L76 T121 F123L76-L125 HydrophobicContact CD2-CD2 4.26Å; T121-L125 HydrophobicContact CG2-CD1 4.35Å; F123-L125 PolarHBondContact O-N 3.11Å; F123-L125 VanDerWaalsContact O-N 3.12Å
126S98.3Very high97.8Very high37 Ų3764.3 Ų64.326%0.25930%0.295SS..SBendtrans-65.6156.5176.367.50000111.1F123 E128 Y129 T130F123-S126 WeakPolarHBondContact O-CB 3.42Å; F123-S126 PolarHBondContact O-N 2.98Å; F123-S126 PolarHBondContact O-OG 3.37Å; S126-E128 VanDerWaalsContact C-N 3.3Å; S126-E128 PolarHBondContact O-N 2.97Å; S126-Y129 PolarHBondContact O-N 3.2Å; S126-Y129 WeakPolarHBondContact OG-CB 3.13Å; S126-Y129 PolarHBondContact OG-N 2.96Å; S126-T130 WeakPolarHBondContact O-CB 3.16Å; S126-T130 PolarHBondContact O-N 2.96Å; S126-T130 PolarHBondContact O-OG1 2.96Å
127R98.4Very high97.7Very high210 Ų21061.8 Ų61.879%0.79230%0.296SS*.Hα-helixtrans-60.1-44.4-179.2176.8-177.1174.6175-1.4110.9L131R127-L131 WeakPolarHBondContact O-CB 3.35Å; R127-L131 PolarHBondContact O-N 3.23Å
128E98.2Very high97.6Very high114 Ų11463.7 Ų63.753%0.53332%0.316SS..Hα-helixtrans-63.4-51-178-64.769.6-153.700110.1S126 T130 L131 D132 Y176S126-E128 VanDerWaalsContact C-N 3.3Å; S126-E128 PolarHBondContact O-N 2.97Å; E128-T130 PolarHBondContact O-N 3.21Å; E128-L131 WeakPolarHBondContact O-CB 3.06Å; E128-L131 PolarHBondContact O-N 2.85Å; E128-D132 PolarHBondContact O-N 3.07Å; E128-Y176 HydrophobicContact CB-CE1 4.14Å; E128-Y176 PolarHBondContact O-OH 2.97Å; E128-Y176 VanDerWaalsContact O-OH 3.08Å
129Y98.5Very high97.6Very high1 Ų164.4 Ų64.40%0.00432%0.319CS..Hα-helixtrans-60.7-46.7179.3-173.3-83.5000111.6F123 Q124 S126 L131 D132 V133 L169 L172 D173 Y176F123-Y129 AromaticContact CD2-CD2 3.81Å; F123-Y129 HydrophobicContact CD2-CD2 3.81Å; F123-Y129 HydrophobicContact CD2-CE2 4.1Å; F123-Y129 AromaticContact CE2-CD2 3.87Å; F123-Y129 HydrophobicContact CE2-CD2 3.87Å; F123-Y129 AromaticContact CE2-CE2 3.67Å; F123-Y129 HydrophobicContact CE2-CE2 3.67Å; F123-Y129 WeakPolarHBondContact O-CB 3.46Å; Q124-Y129 HydrophobicContact CB-CD1 4.17Å; Q124-Y129 HydrophobicContact CB-CE1 3.86Å; Q124-Y129 HydrophobicContact CG-CE1 4.03Å; Q124-Y129 HydrophobicContact CG-CE2 4.11Å; Q124-Y129 WeakPolarHBondContact O-CD1 3.49Å; S126-Y129 PolarHBondContact O-N 3.2Å; S126-Y129 WeakPolarHBondContact OG-CB 3.13Å; S126-Y129 PolarHBondContact OG-N 2.96Å; Y129-L131 VanDerWaalsContact C-N 3.29Å; Y129-L131 PolarHBondContact O-N 2.92Å; Y129-D132 PolarHBondContact O-N 3.23Å; Y129-D132 VanDerWaalsContact O-N 3.13Å; Y129-V133 HydrophobicContact CD1-CG2 3.83Å; Y129-V133 HydrophobicContact CE1-CG2 3.59Å; Y129-V133 WeakPolarHBondContact O-CG2 3.47Å; Y129-V133 PolarHBondContact O-N 2.95Å; Y129-L169 HydrophobicContact CE1-CD2 3.59Å; Y129-L169 VanDerWaalsContact OH-CA 3.27Å; Y129-L169 WeakPolarHBondContact OH-CA 3.42Å; Y129-L169 WeakPolarHBondContact OH-CD2 3.39Å; Y129-L169 PolarHBondContact OH-O 2.86Å; Y129-L172 HydrophobicContact CD2-CB 4.37Å; Y129-L172 HydrophobicContact CE2-CB 3.59Å; Y129-D173 PolarHBondContact OH-OD1 3.37Å; Y129-Y176 VanDerWaalsContact CA-CZ 3.48Å; Y129-Y176 WeakPolarHBondContact CA-OH 3.25Å; Y129-Y176 AromaticContact CD2-CD1 3.84Å; Y129-Y176 HydrophobicContact CD2-CD1 3.84Å; Y129-Y176 AromaticContact CD2-CD2 3.58Å; Y129-Y176 HydrophobicContact CD2-CD2 3.58Å; Y129-Y176 HydrophobicContact CD2-CE1 4.07Å; Y129-Y176 AromaticContact CD2-CE2 3.84Å; Y129-Y176 HydrophobicContact CD2-CE2 3.84Å; Y129-Y176 AromaticContact CD2-CG 3.6Å; Y129-Y176 HydrophobicContact CD2-CG 3.6Å; Y129-Y176 HydrophobicContact CE2-CD2 4.1Å; Y129-Y176 HydrophobicContact CE2-CG 4.27Å; Y129-Y176 HydrophobicContact CG-CE1 4.41Å; Y129-Y176 PolarHBondContact N-OH 2.95Å
130T98.3Very high97.6Very high47 Ų4763.9 Ų63.929%0.28832%0.319SS..Hα-helixtrans-61.6-37.8178.5-57.20000111.8S126 E128 D132 V133 Y134S126-T130 WeakPolarHBondContact O-CB 3.16Å; S126-T130 PolarHBondContact O-N 2.96Å; S126-T130 PolarHBondContact O-OG1 2.96Å; E128-T130 PolarHBondContact O-N 3.21Å; T130-D132 VanDerWaalsContact C-N 3.35Å; T130-V133 WeakPolarHBondContact O-CB 3.5Å; T130-V133 PolarHBondContact O-N 2.94Å; T130-Y134 HydrophobicContact CG2-CD2 4.17Å; T130-Y134 HydrophobicContact CG2-CE2 3.67Å; T130-Y134 VanDerWaalsContact O-CD2 3.25Å; T130-Y134 WeakPolarHBondContact O-CD2 3.39Å; T130-Y134 PolarHBondContact O-N 2.93Å; T130-Y134 VanDerWaalsContact O-N 3.09Å
131L98.3Very high97.6Very high82 Ų8267.2 Ų67.243%0.42934%0.34SS..Hα-helixtrans-64.5-40.7175.8-176.962.7000111.5R127 E128 Y129 Y134 R135R127-L131 WeakPolarHBondContact O-CB 3.35Å; R127-L131 PolarHBondContact O-N 3.23Å; E128-L131 WeakPolarHBondContact O-CB 3.06Å; E128-L131 PolarHBondContact O-N 2.85Å; Y129-L131 VanDerWaalsContact C-N 3.29Å; Y129-L131 PolarHBondContact O-N 2.92Å; L131-Y134 PolarHBondContact O-N 3.28Å; L131-R135 WeakPolarHBondContact O-CG 3.44Å; L131-R135 PolarHBondContact O-N 3.04Å
132D98.5Very high97.6Very high3 Ų372.5 Ų72.52%0.01636%0.362CS..Hα-helixtrans-69.4-32175.7-74.7-22.8000112.7E128 Y129 T130 Y134 R135 L136 L172 Y176 Y204E128-D132 PolarHBondContact O-N 3.07Å; Y129-D132 PolarHBondContact O-N 3.23Å; Y129-D132 VanDerWaalsContact O-N 3.13Å; T130-D132 VanDerWaalsContact C-N 3.35Å; D132-Y134 VanDerWaalsContact C-N 3.33Å; D132-Y134 PolarHBondContact O-N 3.04Å; D132-R135 PolarHBondContact O-N 3Å; D132-R135 WeakPolarHBondContact OD1-CD 3.39Å; D132-R135 IonicContact OD1-CZ 2.88Å; D132-R135 IonicContact OD1-NH1 4Å; D132-R135 PolarHBondContact OD1-NH1 3.28Å; D132-L136 VanDerWaalsContact O-CB 3.24Å; D132-L136 WeakPolarHBondContact O-CB 3.3Å; D132-L136 PolarHBondContact O-N 3.36Å; D132-L172 HydrophobicContact CB-CD1 4.08Å; D132-L172 HydrophobicContact CB-CD2 3.9Å; D132-Y176 WeakPolarHBondContact OD2-CE2 3.43Å; D132-Y176 PolarHBondContact OD2-OH 2.9Å; D132-Y204 PolarHBondContact OD2-OH 3.16Å
133V98.1Very high97.6Very high28 Ų2873.4 Ų73.417%0.1736%0.363CS..Hα-helixtrans-58.2-46.6168.8171.90000110.4Y129 T130 L136 S137 L169 L172Y129-V133 HydrophobicContact CD1-CG2 3.83Å; Y129-V133 HydrophobicContact CE1-CG2 3.59Å; Y129-V133 WeakPolarHBondContact O-CG2 3.47Å; Y129-V133 PolarHBondContact O-N 2.95Å; T130-V133 WeakPolarHBondContact O-CB 3.5Å; T130-V133 PolarHBondContact O-N 2.94Å; V133-L136 PolarHBondContact O-N 3.35Å; V133-S137 WeakPolarHBondContact O-CB 3.21Å; V133-S137 PolarHBondContact O-N 3.37Å; V133-L169 HydrophobicContact CG2-CD2 3.63Å; V133-L172 HydrophobicContact CB-CD1 4.38Å; V133-L172 HydrophobicContact CG2-CD1 3.62Å
134Y98.2Very high97.5Very high157 Ų15773.6 Ų73.662%0.61637%0.365SS*.Hα-helixtrans-64.6-43.2176.8-71.1-53000112.5T130 L131 D132 L136 S137 S138T130-Y134 HydrophobicContact CG2-CD2 4.17Å; T130-Y134 HydrophobicContact CG2-CE2 3.67Å; T130-Y134 VanDerWaalsContact O-CD2 3.25Å; T130-Y134 WeakPolarHBondContact O-CD2 3.39Å; T130-Y134 PolarHBondContact O-N 2.93Å; T130-Y134 VanDerWaalsContact O-N 3.09Å; L131-Y134 PolarHBondContact O-N 3.28Å; D132-Y134 VanDerWaalsContact C-N 3.33Å; D132-Y134 PolarHBondContact O-N 3.04Å; Y134-L136 VanDerWaalsContact C-N 3.34Å; Y134-L136 PolarHBondContact O-N 3.12Å; Y134-S137 WeakPolarHBondContact CA-OG 3.24Å; Y134-S137 PolarHBondContact O-N 3.37Å; Y134-S137 PolarHBondContact O-OG 3.25Å; Y134-S138 PolarHBondContact O-N 2.81Å; Y134-S138 VanDerWaalsContact O-N 3.11Å
135R98.1Very high97.4Very high122 Ų12273.8 Ų73.846%0.4637%0.367SS..Hα-helixtrans-59.6-45.8175.1-70.6169.2172.7170.9-6.2111.3L131 D132 S137 S138 L202L131-R135 WeakPolarHBondContact O-CG 3.44Å; L131-R135 PolarHBondContact O-N 3.04Å; D132-R135 PolarHBondContact O-N 3Å; D132-R135 WeakPolarHBondContact OD1-CD 3.39Å; D132-R135 IonicContact OD1-CZ 2.88Å; D132-R135 IonicContact OD1-NH1 4Å; D132-R135 PolarHBondContact OD1-NH1 3.28Å; R135-S137 VanDerWaalsContact C-N 3.34Å; R135-S137 PolarHBondContact O-N 3.02Å; R135-S138 PolarHBondContact O-N 3.29Å; R135-S138 VanDerWaalsContact O-N 3.14Å; R135-S138 PolarHBondContact O-OG 3.36Å; R135-L202 HydrophobicContact CB-CD2 3.54Å
136L97.5Very high97.3Very high6 Ų673.6 Ų73.63%0.03136%0.362CS..Hα-helixtrans-62.3-42.3177.7-167.563.4000111.3D132 V133 Y134 S138 M139 V140 G168 L172 Y198 L202D132-L136 VanDerWaalsContact O-CB 3.24Å; D132-L136 WeakPolarHBondContact O-CB 3.3Å; D132-L136 PolarHBondContact O-N 3.36Å; V133-L136 PolarHBondContact O-N 3.35Å; Y134-L136 VanDerWaalsContact C-N 3.34Å; Y134-L136 PolarHBondContact O-N 3.12Å; L136-S138 PolarHBondContact O-N 2.83Å; L136-M139 HydrophobicContact CD1-CE 4.2Å; L136-M139 PolarHBondContact O-N 3.16Å; L136-V140 HydrophobicContact CD1-CG2 3.67Å; L136-V140 HydrophobicContact CG-CG2 3.74Å; L136-V140 WeakPolarHBondContact O-CG2 3.5Å; L136-V140 PolarHBondContact O-N 3.09Å; L136-G168 VanDerWaalsContact CD2-CA 3.44Å; L136-G168 WeakPolarHBondContact CD2-O 3.41Å; L136-L172 HydrophobicContact CD2-CD1 4.24Å; L136-L172 HydrophobicContact CD2-CG 4.12Å; L136-Y198 HydrophobicContact CD1-CG 4.39Å; L136-L202 HydrophobicContact CB-CD1 4.32Å; L136-L202 HydrophobicContact CD1-CD1 4.09Å
137S96.5Very high97.1Very high68 Ų6877.9 Ų77.948%0.47638%0.376SS..Hα-helixtrans-62.6-23.6176.478.20000113.9V133 Y134 R135 M139V133-S137 WeakPolarHBondContact O-CB 3.21Å; V133-S137 PolarHBondContact O-N 3.37Å; Y134-S137 WeakPolarHBondContact CA-OG 3.24Å; Y134-S137 PolarHBondContact O-N 3.37Å; Y134-S137 PolarHBondContact O-OG 3.25Å; R135-S137 VanDerWaalsContact C-N 3.34Å; R135-S137 PolarHBondContact O-N 3.02Å; S137-M139 VanDerWaalsContact C-N 3.29Å
138S96.7Very high97Very high97 Ų9768.1 Ų68.168%0.67834%0.34SS*.THydrogen-bonded Turntrans-79.3-9.7175.675.30000114Y134 R135 L136Y134-S138 PolarHBondContact O-N 2.81Å; Y134-S138 VanDerWaalsContact O-N 3.11Å; R135-S138 PolarHBondContact O-N 3.29Å; R135-S138 VanDerWaalsContact O-N 3.14Å; R135-S138 PolarHBondContact O-OG 3.36Å; L136-S138 PolarHBondContact O-N 2.83Å
139M96.3Very high96.6Very high62 Ų6262.8 Ų62.831%0.30532%0.316SS..THydrogen-bonded Turntrans-121.1-35.3-175.9-56.7-176.5-5700113.3L136 S137 T141 Y198 L202L136-M139 HydrophobicContact CD1-CE 4.2Å; L136-M139 PolarHBondContact O-N 3.16Å; S137-M139 VanDerWaalsContact C-N 3.29Å; M139-T141 PolarHBondContact O-N 3.07Å; M139-Y198 HydrophobicContact CB-CD1 4.34Å; M139-Y198 HydrophobicContact CB-CE1 4.29Å; M139-Y198 WeakPolarHBondContact O-CE1 3.46Å; M139-L202 HydrophobicContact CE-CD2 3.47Å; M139-L202 VanDerWaalsContact CE-CD2 3.47Å; M139-L202 HydrophobicContact CE-CG 3.77Å
140V97.6Very high96.2Very high27 Ų2764.5 Ų64.516%0.16433%0.33CS..SBendtrans-76.4123.3178.5178.40000108.9L136 D144 A145 L194 Y198L136-V140 HydrophobicContact CD1-CG2 3.67Å; L136-V140 HydrophobicContact CG-CG2 3.74Å; L136-V140 WeakPolarHBondContact O-CG2 3.5Å; L136-V140 PolarHBondContact O-N 3.09Å; V140-D144 HydrophobicContact CG1-CB 4.45Å; V140-A145 HydrophobicContact CG1-CB 3.97Å; V140-L194 HydrophobicContact CG1-CD1 4.27Å; V140-Y198 HydrophobicContact CB-CE1 4.41Å; V140-Y198 HydrophobicContact CG1-CE2 4.48Å; V140-Y198 HydrophobicContact CG2-CD1 3.7Å; V140-Y198 HydrophobicContact CG2-CD2 3.9Å; V140-Y198 HydrophobicContact CG2-CE1 3.82Å; V140-Y198 HydrophobicContact CG2-CE2 4Å; V140-Y198 HydrophobicContact CG2-CG 3.73Å
141T97.1Very high95.6Very high70 Ų7067.4 Ų67.443%0.42934%0.34SS..  trans-74.8152.1176.368.30000110.4M139 H143 D144 A145M139-T141 PolarHBondContact O-N 3.07Å; T141-H143 PolarHBondContact O-N 3.07Å; T141-D144 PolarHBondContact O-N 3.09Å; T141-D144 VanDerWaalsContact O-N 3.09Å; T141-D144 WeakPolarHBondContact OG1-CB 3.43Å; T141-D144 PolarHBondContact OG1-N 3.4Å; T141-D144 VanDerWaalsContact OG1-N 3.12Å; T141-A145 PolarHBondContact O-N 2.96Å
142E95.9Very high95Very high138 Ų13865.3 Ų65.365%0.64533%0.331SS*.Hα-helixtrans-53.4-41.7173.6-172-165.7145.400111.6D144 A145 K146 L164E142-D144 PolarHBondContact O-N 3.26Å; E142-A145 PolarHBondContact O-N 3.24Å; E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 PolarHBondContact O-N 3.29Å; E142-L164 HydrophobicContact CG-CD1 3.89Å; E142-L164 HydrophobicContact CG-CD2 4.38Å
143H96.1Very high94.3Very high125 Ų12566.1 Ų66.158%0.57934%0.336SS*.Hα-helixtrans-58.2-47.9176.7172.1-87.3000112.1T141 K146 K147T141-H143 PolarHBondContact O-N 3.07Å; H143-K146 PolarHBondContact O-N 3Å; H143-K147 VanDerWaalsContact O-CB 3.24Å; H143-K147 WeakPolarHBondContact O-CB 3.49Å; H143-K147 PolarHBondContact O-N 3.2Å
144D97Very high93.4Very high33 Ų3370.8 Ų70.818%0.17635%0.354CS..Hα-helixtrans-69.5-40.5-177.5-76.55.3000111.6V140 T141 E142 K147 A148 K197 Y198V140-D144 HydrophobicContact CG1-CB 4.45Å; T141-D144 PolarHBondContact O-N 3.09Å; T141-D144 VanDerWaalsContact O-N 3.09Å; T141-D144 WeakPolarHBondContact OG1-CB 3.43Å; T141-D144 PolarHBondContact OG1-N 3.4Å; T141-D144 VanDerWaalsContact OG1-N 3.12Å; E142-D144 PolarHBondContact O-N 3.26Å; D144-K147 PolarHBondContact O-N 3.07Å; D144-A148 VanDerWaalsContact O-CB 3.3Å; D144-A148 WeakPolarHBondContact O-CB 3.48Å; D144-A148 PolarHBondContact O-N 2.87Å; D144-K197 IonicContact OD2-NZ 2.64Å; D144-K197 PolarHBondContact OD2-NZ 3.22Å; D144-Y198 HydrophobicContact CB-CE2 4.49Å; D144-Y198 PolarHBondContact OD2-OH 2.66Å
145A95.8Very high92.4Very high8 Ų868.7 Ų68.77%0.06635%0.349CS..Hα-helixtrans-59.8-49.5173.500000111.7V140 T141 E142 K147 A148 G149 L164V140-A145 HydrophobicContact CG1-CB 3.97Å; T141-A145 PolarHBondContact O-N 2.96Å; E142-A145 PolarHBondContact O-N 3.24Å; A145-K147 PolarHBondContact O-N 2.97Å; A145-A148 PolarHBondContact O-N 3.05Å; A145-G149 PolarHBondContact O-N 3.03Å; A145-L164 HydrophobicContact CB-CB 4.35Å; A145-L164 HydrophobicContact CB-CD2 4.24Å; A145-L164 WeakPolarHBondContact CB-O 3.29Å
146K93.7Very high91.5Very high110 Ų11066 Ų6648%0.47835%0.346SS..Hα-helixtrans-61.8-42.7178.4-172.7175.3-177.31750112E142 H143 A150 L164E142-K146 VanDerWaalsContact O-CB 3.3Å; E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 PolarHBondContact O-N 3.29Å; H143-K146 PolarHBondContact O-N 3Å; K146-A150 PolarHBondContact O-N 3.09Å; K146-L164 HydrophobicContact CB-CD2 3.85Å
147K95.2Very high90.4Very high127 Ų12774 Ų7455%0.55238%0.384SS*.Hα-helixtrans-63.1-42.6177-178.7180175.9-177.30111.3H143 D144 A145 A150 K190H143-K147 VanDerWaalsContact O-CB 3.24Å; H143-K147 WeakPolarHBondContact O-CB 3.49Å; H143-K147 PolarHBondContact O-N 3.2Å; D144-K147 PolarHBondContact O-N 3.07Å; A145-K147 PolarHBondContact O-N 2.97Å; K147-A150 WeakPolarHBondContact O-CB 3.5Å; K147-A150 PolarHBondContact O-N 3.27Å; K147-K190 WeakPolarHBondContact O-CD 3.38Å
148A95Very high89.7Confident5 Ų577.7 Ų77.74%0.04139%0.393CS..Hα-helixtrans-64.8-42.7-179.900000112.7D144 A145 A150 P167 K190 I191 L194D144-A148 VanDerWaalsContact O-CB 3.3Å; D144-A148 WeakPolarHBondContact O-CB 3.48Å; D144-A148 PolarHBondContact O-N 2.87Å; A145-A148 PolarHBondContact O-N 3.05Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 2.89Å; A148-P167 HydrophobicContact CB-CB 3.83Å; A148-P167 HydrophobicContact CB-CG 4.01Å; A148-K190 WeakPolarHBondContact O-CB 3.11Å; A148-I191 WeakPolarHBondContact O-CG1 3.48Å; A148-L194 HydrophobicContact CB-CB 3.92Å; A148-L194 HydrophobicContact CB-CD1 3.37Å; A148-L194 HydrophobicContact CB-CG 4.23Å
149G90.9Very high89Confident2 Ų276.9 Ų76.92%0.02139%0.386CS..Hα-helixtrans-79-5.3-179.900000115.5A145 E151 V152 V153A145-G149 PolarHBondContact O-N 3.03Å; G149-E151 VanDerWaalsContact C-N 3.27Å; G149-E151 PolarHBondContact O-N 3.22Å; G149-E151 VanDerWaalsContact O-N 3.09Å; G149-V152 PolarHBondContact O-N 3.46Å; G149-V152 VanDerWaalsContact O-N 3.12Å; G149-V153 WeakPolarHBondContact O-CB 3.28Å; G149-V153 PolarHBondContact O-N 2.95Å
150A88.5Confident88.6Confident37 Ų3778.3 Ų78.331%0.30639%0.394SS..THydrogen-bonded Turntrans-58.2-30.4-165.800000115.8K146 K147 A148 Q155K146-A150 PolarHBondContact O-N 3.09Å; K147-A150 WeakPolarHBondContact O-CB 3.5Å; K147-A150 PolarHBondContact O-N 3.27Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 2.89Å; A150-Q155 PolarHBondContact O-NE2 2.99Å
151E85.6Confident88.3Confident109 Ų10982.9 Ų82.951%0.50942%0.417SS..THydrogen-bonded Turntrans-99.8-13.1-178.1-72175.4-146.200113.7G149 K190G149-E151 VanDerWaalsContact C-N 3.27Å; G149-E151 PolarHBondContact O-N 3.22Å; G149-E151 VanDerWaalsContact O-N 3.09Å; E151-K190 WeakPolarHBondContact OE1-CE 3.41Å; E151-K190 IonicContact OE1-NZ 2.66Å; E151-K190 PolarHBondContact OE1-NZ 2.94Å
152V86.3Confident87.9Confident38 Ų3880.5 Ų80.523%0.2340%0.403CS..THydrogen-bonded Turntrans-110-49.5-172.8179.90000110.8G149 Y166 D187 Q188 I191G149-V152 PolarHBondContact O-N 3.46Å; G149-V152 VanDerWaalsContact O-N 3.12Å; V152-Y166 HydrophobicContact CG1-CE1 3.92Å; V152-D187 WeakPolarHBondContact CG2-O 3.27Å; V152-Q188 HydrophobicContact CG2-CG 4.08Å; V152-I191 HydrophobicContact CB-CD1 3.9Å; V152-I191 HydrophobicContact CG1-CD1 4.04Å; V152-I191 HydrophobicContact CG2-CD1 3.76Å; V152-I191 HydrophobicContact CG2-CG1 4.47Å
153V83.3Confident87.6Confident19 Ų1974.6 Ų74.612%0.11538%0.379CS..SBendtrans-75.9135.1179.7-179.90000109.5G149 Q155 Y166G149-V153 WeakPolarHBondContact O-CB 3.28Å; G149-V153 PolarHBondContact O-N 2.95Å; V153-Q155 PolarHBondContact O-N 3.38Å; V153-Q155 VanDerWaalsContact O-N 3.11Å; V153-Q155 PolarHBondContact O-NE2 2.86Å; V153-Y166 HydrophobicContact CG2-CD1 4.03Å; V153-Y166 HydrophobicContact CG2-CD2 4.31Å; V153-Y166 HydrophobicContact CG2-CG 3.82Å
154K79.7Confident87.4Confident126 Ų12671 Ų7155%0.54836%0.364SS..PPolyproline II helixtrans-57.8117.5177.7-171.7-177.7176.6-170.10110.2V156 D363K154-V156 HydrophobicContact CD-CG1 4.31Å; K154-V156 HydrophobicContact CG-CG1 4.22Å; K154-V156 PolarHBondContact O-N 3.34Å; K154-D363 IonicContact NZ-OD2 3.41Å; K154-D363 PolarHBondContact NZ-OD2 3.42Å
155Q76.8Confident87.2Confident113 Ų11372.6 Ų72.653%0.52837%0.372SS..PPolyproline II helixtrans-75.6124.3174.9-58.1-57.1-56.800109.5A150 V153A150-Q155 PolarHBondContact O-NE2 2.99Å; V153-Q155 PolarHBondContact O-N 3.38Å; V153-Q155 VanDerWaalsContact O-N 3.11Å; V153-Q155 PolarHBondContact O-NE2 2.86Å
156V79.8Confident87.1Confident65 Ų6573.1 Ų73.139%0.39437%0.373SS..  trans-130.7157.7178.4-65.10000109.5K154 H158 P159K154-V156 HydrophobicContact CD-CG1 4.31Å; K154-V156 HydrophobicContact CG-CG1 4.22Å; K154-V156 PolarHBondContact O-N 3.34Å; V156-H158 WeakPolarHBondContact CG2-O 3.44Å; V156-H158 PolarHBondContact O-N 3.23Å; V156-P159 WeakPolarHBondContact O-CD 3.34Å
157E75.7Confident87.2Confident174 Ų17467.9 Ų67.981%0.81335%0.35SS*.SBendtrans-59.2-34-178.1-171.4177.3-17800112.8P159E157-P159 WeakPolarHBondContact O-CD 3.43Å
158H81.8Confident87.3Confident146 Ų14662.5 Ų62.568%0.67633%0.33SS*.SBendtrans-120.783.7175.4-56-48.4000110V156 L160V156-H158 WeakPolarHBondContact CG2-O 3.44Å; V156-H158 PolarHBondContact O-N 3.23Å; H158-L160 PolarHBondContact O-N 2.84Å
159P82.1Confident87.4Confident80 Ų8062.8 Ų62.852%0.51933%0.331SS..  trans-57.4130.6-178.1-24.634.1000111.7V156 E157V156-P159 WeakPolarHBondContact O-CD 3.34Å; E157-P159 WeakPolarHBondContact O-CD 3.43Å
160L87.1Confident87.7Confident92 Ų9263.2 Ų63.248%0.48233%0.333SS..  trans-79.9155.7175.4-60.1176.5000110.6M83 H158 S162 G163M83-L160 HydrophobicContact CE-CD1 3.35Å; M83-L160 HydrophobicContact SD-CD1 4.28Å; H158-L160 PolarHBondContact O-N 2.84Å; L160-S162 PolarHBondContact O-N 3.05Å; L160-G163 PolarHBondContact O-N 3.22Å; L160-G163 VanDerWaalsContact O-N 3.15Å
161L91.1Very high88.2Confident123 Ų12361.5 Ų61.564%0.64432%0.318SS*.Hα-helixtrans-57.7-31174.7-178.162.2000112.4G163 L164 L165L161-G163 PolarHBondContact O-N 2.91Å; L161-L164 HydrophobicContact CD1-CB 4.47Å; L161-L164 HydrophobicContact CD1-CD1 4.18Å; L161-L164 WeakPolarHBondContact O-CB 3.12Å; L161-L164 PolarHBondContact O-N 3.41Å; L161-L165 HydrophobicContact CG-CD1 4.49Å; L161-L165 PolarHBondContact O-N 3.3Å
162S89.4Confident88.8Confident20 Ų2056.3 Ų56.314%0.1429%0.294CS..Hα-helixtrans-54.3-39.1177.655.80000112.4L80 L160 L164 L165 Y166L80-S162 PolarHBondContact O-OG 2.88Å; L160-S162 PolarHBondContact O-N 3.05Å; S162-L164 VanDerWaalsContact C-N 3.25Å; S162-L164 PolarHBondContact O-N 3.49Å; S162-L165 PolarHBondContact O-N 2.66Å; S162-Y166 PolarHBondContact O-N 3.33Å; S162-Y166 VanDerWaalsContact O-N 3.1Å
163G88.1Confident89.4Confident14 Ų1454.6 Ų54.614%0.14428%0.284CS..Hα-helixtrans-66.3-24.7178.400000114.2L160 L161L160-G163 PolarHBondContact O-N 3.22Å; L160-G163 VanDerWaalsContact O-N 3.15Å; L161-G163 PolarHBondContact O-N 2.91Å
164L92.3Very high90.1Very high49 Ų4953.7 Ų53.726%0.25728%0.278SS..Hα-helixtrans-82.8-28.1175.4-61176.9000112.2E142 A145 K146 L161 S162E142-L164 HydrophobicContact CG-CD1 3.89Å; E142-L164 HydrophobicContact CG-CD2 4.38Å; A145-L164 HydrophobicContact CB-CB 4.35Å; A145-L164 HydrophobicContact CB-CD2 4.24Å; A145-L164 WeakPolarHBondContact CB-O 3.29Å; K146-L164 HydrophobicContact CB-CD2 3.85Å; L161-L164 HydrophobicContact CD1-CB 4.47Å; L161-L164 HydrophobicContact CD1-CD1 4.18Å; L161-L164 WeakPolarHBondContact O-CB 3.12Å; L161-L164 PolarHBondContact O-N 3.41Å; S162-L164 VanDerWaalsContact C-N 3.25Å; S162-L164 PolarHBondContact O-N 3.49Å
165L93.9Very high91Very high67 Ų6749.9 Ų49.935%0.35126%0.262SS..Hα-helixtrans-76.8-32176.4-63.2175.9000111.8L161 S162 G168 L169L161-L165 HydrophobicContact CG-CD1 4.49Å; L161-L165 PolarHBondContact O-N 3.3Å; S162-L165 PolarHBondContact O-N 2.66Å; L165-G168 PolarHBondContact O-N 2.86Å; L165-G168 VanDerWaalsContact O-N 3.07Å; L165-L169 HydrophobicContact CB-CD1 4.44Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.4Å; L165-L169 VanDerWaalsContact O-N 3.07Å
166Y93.6Very high92.1Very high20 Ų2047.2 Ų47.28%0.07825%0.248CC..Hα-helixtrans-48.1-53.1-173.6-173.2-67.9000114H77 D81 V152 V153 S162 G168 L169 Q170 I191H77-Y166 HydrophobicContact CB-CD2 4.4Å; H77-Y166 HydrophobicContact CB-CE2 3.74Å; H77-Y166 AromaticContact CD2-CD2 3.59Å; H77-Y166 AromaticContact CD2-CE2 3.41Å; H77-Y166 VanDerWaalsContact CD2-CE2 3.41Å; H77-Y166 WeakPolarHBondContact CD2-CE2 3.16Å; H77-Y166 AromaticContact CD2-CG 3.99Å; H77-Y166 AromaticContact CD2-CZ 3.67Å; H77-Y166 AromaticContact CG-CE2 3.96Å; D81-Y166 WeakPolarHBondContact OD1-CD2 3.46Å; D81-Y166 WeakPolarHBondContact OD1-CE2 3.37Å; D81-Y166 WeakPolarHBondContact OD2-CE2 3.36Å; V152-Y166 HydrophobicContact CG1-CE1 3.92Å; V153-Y166 HydrophobicContact CG2-CD1 4.03Å; V153-Y166 HydrophobicContact CG2-CD2 4.31Å; V153-Y166 HydrophobicContact CG2-CG 3.82Å; S162-Y166 PolarHBondContact O-N 3.33Å; S162-Y166 VanDerWaalsContact O-N 3.1Å; Y166-G168 VanDerWaalsContact C-N 3.27Å; Y166-G168 PolarHBondContact O-N 3.41Å; Y166-L169 PolarHBondContact O-N 3.22Å; Y166-Q170 PolarHBondContact O-N 2.84Å; Y166-Q170 VanDerWaalsContact O-N 3.09Å; Y166-I191 HydrophobicContact CD1-CD1 4.14Å; Y166-I191 HydrophobicContact CE1-CD1 3.99Å
167P95.8Very high92.9Very high0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-65-32-176.8-22.636.3000113.1A148 A171 I191 L194A148-P167 HydrophobicContact CB-CB 3.83Å; A148-P167 HydrophobicContact CB-CG 4.01Å; P167-A171 WeakPolarHBondContact O-CB 3.38Å; P167-A171 PolarHBondContact O-N 3.01Å; P167-A171 VanDerWaalsContact O-N 3.07Å; P167-I191 HydrophobicContact CB-CG1 4.24Å; P167-I191 HydrophobicContact CB-CG2 4.3Å; P167-L194 HydrophobicContact CB-CD1 4.24Å; P167-L194 HydrophobicContact CB-CD2 4.35Å
168G97Very high94Very high13 Ų1344.1 Ų44.113%0.13423%0.227CC..Hα-helixtrans-71.8-37.6178.200000112.5L136 L165 Y166 A171 L172L136-G168 VanDerWaalsContact CD2-CA 3.44Å; L136-G168 WeakPolarHBondContact CD2-O 3.41Å; L165-G168 PolarHBondContact O-N 2.86Å; L165-G168 VanDerWaalsContact O-N 3.07Å; Y166-G168 VanDerWaalsContact C-N 3.27Å; Y166-G168 PolarHBondContact O-N 3.41Å; G168-A171 PolarHBondContact O-N 3.46Å; G168-L172 WeakPolarHBondContact O-CG 3.41Å; G168-L172 PolarHBondContact O-N 3.37Å; G168-L172 VanDerWaalsContact O-N 3.09Å
169L97.4Very high94.8Very high12 Ų1237.4 Ų37.46%0.06320%0.196CC..Hα-helixtrans-62.1-50.6173.4-64172.1000110.6H77 L80 Y129 V133 L165 Y166 A171 L172 D173H77-L169 VanDerWaalsContact NE2-CB 3.35Å; H77-L169 WeakPolarHBondContact NE2-CB 3.24Å; L80-L169 HydrophobicContact CD1-CD1 3.49Å; L80-L169 VanDerWaalsContact CD1-CD1 3.49Å; Y129-L169 HydrophobicContact CE1-CD2 3.59Å; Y129-L169 VanDerWaalsContact OH-CA 3.27Å; Y129-L169 WeakPolarHBondContact OH-CA 3.42Å; Y129-L169 WeakPolarHBondContact OH-CD2 3.39Å; Y129-L169 PolarHBondContact OH-O 2.86Å; V133-L169 HydrophobicContact CG2-CD2 3.63Å; L165-L169 HydrophobicContact CB-CD1 4.44Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.4Å; L165-L169 VanDerWaalsContact O-N 3.07Å; Y166-L169 PolarHBondContact O-N 3.22Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 2.98Å; L169-L172 PolarHBondContact O-N 3.43Å; L169-D173 PolarHBondContact O-N 2.91Å
170Q97.6Very high95.6Very high11 Ų1134.5 Ų34.55%0.05118%0.176CC..Hα-helixtrans-60.5-34.3178.2-175.5171.4-18.300112.8Y39 Y166 I191Y39-Q170 PolarHBondContact OH-O 2.94Å; Y39-Q170 VanDerWaalsContact OH-O 3.04Å; Y166-Q170 PolarHBondContact O-N 2.84Å; Y166-Q170 VanDerWaalsContact O-N 3.09Å; Q170-I191 HydrophobicContact CB-CG2 3.99Å; Q170-I191 HydrophobicContact CG-CG2 3.95Å
171A98.2Very high96.1Very high1 Ų130.1 Ų30.11%0.00815%0.154CC..Hα-helixtrans-65.7-44173.500000112.1P167 G168 L169 D173 E174 L194 A195 L199P167-A171 WeakPolarHBondContact O-CB 3.38Å; P167-A171 PolarHBondContact O-N 3.01Å; P167-A171 VanDerWaalsContact O-N 3.07Å; G168-A171 PolarHBondContact O-N 3.46Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 2.98Å; A171-D173 VanDerWaalsContact C-N 3.29Å; A171-D173 PolarHBondContact O-N 3.08Å; A171-E174 WeakPolarHBondContact O-CB 3.42Å; A171-E174 PolarHBondContact O-N 2.86Å; A171-L194 HydrophobicContact CB-CD2 4.35Å; A171-A195 HydrophobicContact CB-CB 3.58Å; A171-L199 HydrophobicContact CB-CD2 4.43Å
172L98.5Very high96.5Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-67.5-29.2179.5-70.7172.7000112.6Y129 D132 V133 L136 G168 L169 E174 E175 Y176 L199 L202 Y204Y129-L172 HydrophobicContact CD2-CB 4.37Å; Y129-L172 HydrophobicContact CE2-CB 3.59Å; D132-L172 HydrophobicContact CB-CD1 4.08Å; D132-L172 HydrophobicContact CB-CD2 3.9Å; V133-L172 HydrophobicContact CB-CD1 4.38Å; V133-L172 HydrophobicContact CG2-CD1 3.62Å; L136-L172 HydrophobicContact CD2-CD1 4.24Å; L136-L172 HydrophobicContact CD2-CG 4.12Å; G168-L172 WeakPolarHBondContact O-CG 3.41Å; G168-L172 PolarHBondContact O-N 3.37Å; G168-L172 VanDerWaalsContact O-N 3.09Å; L169-L172 PolarHBondContact O-N 3.43Å; L172-E174 PolarHBondContact O-N 2.81Å; L172-E175 PolarHBondContact O-N 3Å; L172-Y176 WeakPolarHBondContact O-CD2 3.16Å; L172-Y176 PolarHBondContact O-N 3.15Å; L172-Y176 VanDerWaalsContact O-N 3.09Å; L172-L199 HydrophobicContact CD2-CD2 4.28Å; L172-L202 HydrophobicContact CD2-CD1 3.68Å; L172-Y204 HydrophobicContact CD2-CE2 4.45Å
173D98.5Very high97Very high2 Ų223.5 Ų23.51%0.01112%0.117CC..Hα-helixtrans-54.3-35.1174.6-69.2-25.8000112Y39 L72 H77 F123 Q124 Y129 L169 A171 E175 Y176 L177Y39-D173 HydrophobicContact CE2-CB 4.26Å; L72-D173 HydrophobicContact CD2-CB 4.14Å; L72-D173 VanDerWaalsContact CD2-OD2 3.26Å; L72-D173 WeakPolarHBondContact CD2-OD2 3.25Å; H77-D173 IonicContact CE1-OD2 3.94Å; H77-D173 PolarHBondContact CE1-OD2 2.83Å; F123-D173 WeakPolarHBondContact CE2-OD1 3.46Å; F123-D173 VanDerWaalsContact CZ-OD1 3.23Å; F123-D173 WeakPolarHBondContact CZ-OD1 3.35Å; Q124-D173 VanDerWaalsContact NE2-CG 3.3Å; Q124-D173 PolarHBondContact NE2-OD1 3.32Å; Q124-D173 PolarHBondContact NE2-OD2 2.89Å; Q124-D173 VanDerWaalsContact NE2-OD2 3.12Å; Y129-D173 PolarHBondContact OH-OD1 3.37Å; L169-D173 PolarHBondContact O-N 2.91Å; A171-D173 VanDerWaalsContact C-N 3.29Å; A171-D173 PolarHBondContact O-N 3.08Å; D173-E175 VanDerWaalsContact C-N 3.31Å; D173-E175 PolarHBondContact O-N 3.5Å; D173-Y176 PolarHBondContact O-N 2.7Å; D173-L177 HydrophobicContact CB-CD1 4.3Å; D173-L177 WeakPolarHBondContact O-CB 3.5Å; D173-L177 WeakPolarHBondContact O-CG 3.28Å; D173-L177 PolarHBondContact O-N 3.03Å
174E98.6Very high97.4Very high0 Ų022.9 Ų22.90%011%0.111CC..Hα-helixtrans-57.5-42.7176.6-64.5173.8-15600112.9Y39 A171 L172 K178 V179 Q182 A195 L199 R207 H209Y39-E174 HydrophobicContact CE1-CB 4.38Å; Y39-E174 HydrophobicContact CE1-CG 3.76Å; A171-E174 WeakPolarHBondContact O-CB 3.42Å; A171-E174 PolarHBondContact O-N 2.86Å; L172-E174 PolarHBondContact O-N 2.81Å; E174-K178 PolarHBondContact O-N 3.4Å; E174-V179 HydrophobicContact CB-CG2 4.31Å; E174-V179 VanDerWaalsContact O-CG2 3.27Å; E174-V179 WeakPolarHBondContact O-CG2 3.28Å; E174-V179 PolarHBondContact O-N 2.87Å; E174-Q182 PolarHBondContact OE1-OE1 3.43Å; E174-A195 WeakPolarHBondContact OE1-CB 3.42Å; E174-L199 HydrophobicContact CB-CD1 4.2Å; E174-L199 WeakPolarHBondContact OE2-CD1 3.43Å; E174-R207 HydrophobicContact CB-CG 4.03Å; E174-R207 HydrophobicContact CG-CG 4.38Å; E174-R207 VanDerWaalsContact OE2-CB 3.29Å; E174-R207 WeakPolarHBondContact OE2-CB 3.37Å; E174-R207 WeakPolarHBondContact OE2-CD 3.38Å; E174-R207 WeakPolarHBondContact OE2-CG 3.42Å; E174-H209 IonicContact OE1-NE2 2.88Å; E174-H209 PolarHBondContact OE1-NE2 3.46Å
175E98.4Very high97.5Very high46 Ų4621.3 Ų21.322%0.21511%0.106CC..Hα-helixtrans-73.9-49.8-179.7178.960.1-142.200111L172 D173 L177 K178 Y204 R207L172-E175 PolarHBondContact O-N 3Å; D173-E175 VanDerWaalsContact C-N 3.31Å; D173-E175 PolarHBondContact O-N 3.5Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 2.88Å; E175-K178 WeakPolarHBondContact O-CA 3.39Å; E175-K178 WeakPolarHBondContact O-CG 3.41Å; E175-K178 PolarHBondContact O-N 2.98Å; E175-Y204 HydrophobicContact CB-CD2 4.23Å; E175-Y204 HydrophobicContact CB-CG 4.27Å; E175-Y204 HydrophobicContact CG-CD1 3.62Å; E175-Y204 HydrophobicContact CG-CD2 3.89Å; E175-Y204 HydrophobicContact CG-CE1 3.76Å; E175-Y204 HydrophobicContact CG-CE2 4Å; E175-Y204 HydrophobicContact CG-CG 3.7Å; E175-Y204 WeakPolarHBondContact OE2-CB 3.48Å; E175-R207 IonicContact OE2-CZ 3.66Å; E175-R207 IonicContact OE2-NH1 3.87Å; E175-R207 PolarHBondContact OE2-NH1 3.45Å; E175-R207 IonicContact OE2-NH2 2.71Å; E175-R207 PolarHBondContact OE2-NH2 3.49Å
176Y98.5Very high97.6Very high57 Ų5719.2 Ų19.222%0.22410%0.096CC..Hα-helixtrans-71.8-27.4-173.3-80.3-102.5000112.8F123 E128 Y129 D132 L172 D173 K178F123-Y176 HydrophobicContact CD2-CD1 4.2Å; F123-Y176 HydrophobicContact CD2-CG 4.14Å; F123-Y176 HydrophobicContact CE2-CG 4.35Å; E128-Y176 HydrophobicContact CB-CE1 4.14Å; E128-Y176 PolarHBondContact O-OH 2.97Å; E128-Y176 VanDerWaalsContact O-OH 3.08Å; Y129-Y176 VanDerWaalsContact CA-CZ 3.48Å; Y129-Y176 WeakPolarHBondContact CA-OH 3.25Å; Y129-Y176 AromaticContact CD2-CD1 3.84Å; Y129-Y176 HydrophobicContact CD2-CD1 3.84Å; Y129-Y176 AromaticContact CD2-CD2 3.58Å; Y129-Y176 HydrophobicContact CD2-CD2 3.58Å; Y129-Y176 HydrophobicContact CD2-CE1 4.07Å; Y129-Y176 AromaticContact CD2-CE2 3.84Å; Y129-Y176 HydrophobicContact CD2-CE2 3.84Å; Y129-Y176 AromaticContact CD2-CG 3.6Å; Y129-Y176 HydrophobicContact CD2-CG 3.6Å; Y129-Y176 HydrophobicContact CE2-CD2 4.1Å; Y129-Y176 HydrophobicContact CE2-CG 4.27Å; Y129-Y176 HydrophobicContact CG-CE1 4.41Å; Y129-Y176 PolarHBondContact N-OH 2.95Å; D132-Y176 WeakPolarHBondContact OD2-CE2 3.43Å; D132-Y176 PolarHBondContact OD2-OH 2.9Å; L172-Y176 WeakPolarHBondContact O-CD2 3.16Å; L172-Y176 PolarHBondContact O-N 3.15Å; L172-Y176 VanDerWaalsContact O-N 3.09Å; D173-Y176 PolarHBondContact O-N 2.7Å; Y176-K178 VanDerWaalsContact C-N 3.27Å
177L98.4Very high97.6Very high19 Ų1920.5 Ų20.510%0.09910%0.104CC..THydrogen-bonded Turntrans-80.6-7169.6-61.2176.2000113.1Y39 T70 L72 I118 F123 D173 E175 V179Y39-L177 HydrophobicContact CD1-CD1 4.34Å; Y39-L177 HydrophobicContact CD2-CD1 3.52Å; Y39-L177 HydrophobicContact CE2-CD1 3.95Å; Y39-L177 HydrophobicContact CG-CD1 3.71Å; T70-L177 HydrophobicContact CG2-CD1 4.42Å; T70-L177 HydrophobicContact CG2-CD2 4.24Å; L72-L177 HydrophobicContact CB-CD1 4.24Å; L72-L177 HydrophobicContact CD2-CD1 4.23Å; I118-L177 HydrophobicContact CB-CD2 4.35Å; I118-L177 HydrophobicContact CD1-CD2 3.75Å; I118-L177 HydrophobicContact CG2-CD2 4.04Å; F123-L177 HydrophobicContact CE1-CD2 3.79Å; F123-L177 HydrophobicContact CE1-CG 4.47Å; F123-L177 HydrophobicContact CZ-CD2 4Å; F123-L177 HydrophobicContact CZ-CG 4.18Å; D173-L177 HydrophobicContact CB-CD1 4.3Å; D173-L177 WeakPolarHBondContact O-CB 3.5Å; D173-L177 WeakPolarHBondContact O-CG 3.28Å; D173-L177 PolarHBondContact O-N 3.03Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 2.88Å; L177-V179 HydrophobicContact CB-CG1 4.09Å; L177-V179 PolarHBondContact O-N 2.84Å
178K98.3Very high97.5Very high155 Ų15521.8 Ų21.867%0.67411%0.11SC*.THydrogen-bonded Turntrans55.646.8177.2-56.6-178.9-178.9-179.90112.9E174 E175 Y176E174-K178 PolarHBondContact O-N 3.4Å; E175-K178 WeakPolarHBondContact O-CA 3.39Å; E175-K178 WeakPolarHBondContact O-CG 3.41Å; E175-K178 PolarHBondContact O-N 2.98Å; Y176-K178 VanDerWaalsContact C-N 3.27Å
179V98.5Very high97.6Very high4 Ų425.8 Ų25.82%0.02412%0.121CC..  trans-99.1159.3-178.6-65.80000113.1K37 Y39 E174 L177 R207K37-V179 HydrophobicContact CB-CB 4.48Å; K37-V179 HydrophobicContact CB-CG1 4.45Å; Y39-V179 HydrophobicContact CD1-CB 4.24Å; Y39-V179 HydrophobicContact CD1-CG1 4.15Å; Y39-V179 HydrophobicContact CD1-CG2 3.45Å; Y39-V179 VanDerWaalsContact CD1-CG2 3.45Å; Y39-V179 HydrophobicContact CE1-CG2 3.84Å; E174-V179 HydrophobicContact CB-CG2 4.31Å; E174-V179 VanDerWaalsContact O-CG2 3.27Å; E174-V179 WeakPolarHBondContact O-CG2 3.28Å; E174-V179 PolarHBondContact O-N 2.87Å; L177-V179 HydrophobicContact CB-CG1 4.09Å; L177-V179 PolarHBondContact O-N 2.84Å; V179-R207 HydrophobicContact CG2-CG 4.42Å; V179-R207 WeakPolarHBondContact O-CG 3.43Å; V179-R207 PolarHBondContact O-NE 3.18Å
180D98.6Very high97.6Very high20 Ų2028.6 Ų28.611%0.10713%0.133CC..SBendtrans-91.2-30.4172.8-56.8-55.8000111.8R34 L36 K37 R207 S208R34-D180 IonicContact CZ-OD1 2.7Å; R34-D180 IonicContact CZ-OD2 3.97Å; R34-D180 IonicContact NH1-OD1 2.65Å; R34-D180 IonicContact NH1-OD2 3.66Å; R34-D180 PolarHBondContact NH1-OD2 2.94Å; R34-D180 VanDerWaalsContact NH2-CG 3.32Å; R34-D180 IonicContact NH2-OD1 2.87Å; R34-D180 PolarHBondContact NH2-OD1 2.68Å; R34-D180 IonicContact NH2-OD2 2.65Å; R34-D180 PolarHBondContact NH2-OD2 3.18Å; L36-D180 HydrophobicContact CD1-CB 3.61Å; L36-D180 HydrophobicContact CG-CB 4.43Å; K37-D180 WeakPolarHBondContact CB-OD2 3.39Å; K37-D180 PolarHBondContact N-OD2 3Å; K37-D180 PolarHBondContact O-N 3.18Å; D180-R207 WeakPolarHBondContact O-CA 3.5Å; D180-R207 WeakPolarHBondContact O-CB 3.44Å; D180-S208 PolarHBondContact O-N 2.87Å
181A98.6Very high97.6Very high0 Ų028.1 Ų28.10%013%0.131CC..EExtended strand (participates in β ladder)trans-143151.8-177.900000113.7L36 K37 V38 Y39 S208L36-A181 HydrophobicContact CD2-CB 4.5Å; K37-A181 PolarHBondContact O-N 3.25Å; K37-A181 VanDerWaalsContact O-N 3.1Å; V38-A181 VanDerWaalsContact CA-O 3.31Å; V38-A181 WeakPolarHBondContact CA-O 3.38Å; V38-A181 HydrophobicContact CG2-CB 4.28Å; Y39-A181 PolarHBondContact N-O 2.91Å; Y39-A181 VanDerWaalsContact N-O 3.07Å; A181-S208 CarbonylContact C-O 3.59Å; A181-S208 WeakPolarHBondContact CA-O 3.4Å; A181-S208 VanDerWaalsContact CB-O 3.28Å; A181-S208 WeakPolarHBondContact CB-O 3.46Å
182Q98.8Very high97.6Very high1 Ų128 Ų281%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-110.2135.5167.4-176.2169.814.300110.2Y39 E174 F192 S208 H209 L210Y39-Q182 HydrophobicContact CD1-CB 4.01Å; Y39-Q182 HydrophobicContact CD1-CG 4.05Å; Y39-Q182 HydrophobicContact CE1-CB 3.49Å; Y39-Q182 VanDerWaalsContact CE1-CB 3.49Å; Y39-Q182 HydrophobicContact CE1-CG 3.46Å; Y39-Q182 VanDerWaalsContact CE1-CG 3.46Å; Y39-Q182 HydrophobicContact CE2-CG 4.22Å; Y39-Q182 PolarHBondContact OH-NE2 3.18Å; Y39-Q182 PolarHBondContact OH-OE1 3.1Å; E174-Q182 PolarHBondContact OE1-OE1 3.43Å; Q182-F192 HydrophobicContact CB-CE1 4.45Å; Q182-F192 HydrophobicContact CG-CD1 4.5Å; Q182-F192 HydrophobicContact CG-CE1 3.74Å; Q182-F192 HydrophobicContact CG-CZ 4.11Å; Q182-S208 PolarHBondContact N-O 3.14Å; Q182-H209 WeakPolarHBondContact O-CA 3.4Å; Q182-L210 PolarHBondContact O-N 3.41Å
183F98.7Very high97.5Very high2 Ų230.5 Ų30.51%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-106.2139.5171.2168.7-114.7000110.6L18 V38 Y39 W40 P55 K58 I59 F62 L210 N212L18-F183 HydrophobicContact CD2-CD2 4.33Å; L18-F183 HydrophobicContact CD2-CE2 3.93Å; V38-F183 HydrophobicContact CG1-CB 3.96Å; Y39-F183 PolarHBondContact O-N 3.1Å; W40-F183 HydrophobicContact CB-CD1 3.98Å; W40-F183 AromaticContact CD1-CD1 3.6Å; W40-F183 AromaticContact CD1-CE1 3.95Å; W40-F183 AromaticContact CG-CD1 3.89Å; W40-F183 HydrophobicContact CG-CD1 3.89Å; W40-F183 HydrophobicContact CG-CE1 4.36Å; P55-F183 HydrophobicContact CB-CE1 3.91Å; P55-F183 HydrophobicContact CB-CZ 4.3Å; K58-F183 HydrophobicContact CB-CE1 3.93Å; K58-F183 HydrophobicContact CB-CE2 3.95Å; K58-F183 HydrophobicContact CB-CZ 3.49Å; K58-F183 VanDerWaalsContact CB-CZ 3.49Å; K58-F183 HydrophobicContact CG-CE2 4.01Å; K58-F183 HydrophobicContact CG-CZ 3.81Å; I59-F183 HydrophobicContact CD1-CD1 4.02Å; I59-F183 HydrophobicContact CD1-CE1 4.36Å; F62-F183 HydrophobicContact CE2-CB 3.71Å; F62-F183 AromaticContact CE2-CD1 3.82Å; F62-F183 HydrophobicContact CE2-CD1 3.82Å; F62-F183 HydrophobicContact CE2-CD2 4.13Å; F62-F183 AromaticContact CE2-CG 3.61Å; F62-F183 HydrophobicContact CE2-CG 3.61Å; F62-F183 HydrophobicContact CZ-CB 4.03Å; F62-F183 HydrophobicContact CZ-CD1 4.41Å; F62-F183 AromaticContact CZ-CD2 3.9Å; F62-F183 HydrophobicContact CZ-CD2 3.9Å; F62-F183 AromaticContact CZ-CG 3.85Å; F62-F183 HydrophobicContact CZ-CG 3.85Å; F183-L210 WeakPolarHBondContact CA-O 3.38Å; F183-L210 HydrophobicContact CB-CB 4.26Å; F183-L210 HydrophobicContact CD2-CB 4.01Å; F183-L210 VanDerWaalsContact CD2-O 3.28Å; F183-L210 WeakPolarHBondContact CD2-O 3.36Å; F183-N212 HydrophobicContact CE2-CB 3.95Å; F183-N212 HydrophobicContact CZ-CB 4.18Å; F183-N212 WeakPolarHBondContact CZ-ND2 3.43Å
184G97.4Very high97.5Very high2 Ų230.9 Ų30.92%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-166.8-169.7174.300000112.4L210 M211 N212G184-L210 PolarHBondContact N-O 3.14Å; G184-M211 CarbonylContact O-C 3.57Å; G184-M211 WeakPolarHBondContact O-CA 3.43Å; G184-N212 PolarHBondContact O-N 2.93Å
185G95.4Very high97.5Very high15 Ų1530.9 Ų30.916%0.15515%0.147CC..EExtended strand (participates in β ladder)trans-82.9162.3170.900000111.8D187 Q188G185-D187 WeakPolarHBondContact CA-OD1 3.32Å; G185-D187 PolarHBondContact O-N 3.21Å; G185-Q188 WeakPolarHBondContact O-CB 3.41Å; G185-Q188 PolarHBondContact O-N 3.34Å
186V94.8Very high97.4Very high24 Ų2430.7 Ų30.715%0.14515%0.147CC..G310 helixtrans-63.3-20.5176.369.40000113.1Q188 R189 M211 N212 M214V186-Q188 PolarHBondContact O-N 2.93Å; V186-R189 WeakPolarHBondContact O-CB 3.4Å; V186-R189 PolarHBondContact O-N 2.89Å; V186-R189 VanDerWaalsContact O-N 3.11Å; V186-M211 HydrophobicContact CB-CB 4.42Å; V186-N212 PolarHBondContact N-O 2.82Å; V186-M214 HydrophobicContact CG1-CG 3.7Å; V186-M214 HydrophobicContact CG1-SD 4.19Å
187D92.9Very high97.4Very high46 Ų4633.4 Ų33.425%0.24616%0.16CC..G310 helixtrans-60.7-22.7169.860.2-38.9000113V152 G185 M214V152-D187 WeakPolarHBondContact CG2-O 3.27Å; G185-D187 WeakPolarHBondContact CA-OD1 3.32Å; G185-D187 PolarHBondContact O-N 3.21Å; D187-M214 HydrophobicContact CB-CE 4.41Å; D187-M214 HydrophobicContact CB-SD 3.96Å
188Q95.6Very high97.4Very high27 Ų2733.4 Ų33.413%0.12616%0.158CC..G310 helixtrans-88.5-2.2177.1-58.1-175.331.900113.7V152 G185 V186 K190 I191 F192V152-Q188 HydrophobicContact CG2-CG 4.08Å; G185-Q188 WeakPolarHBondContact O-CB 3.41Å; G185-Q188 PolarHBondContact O-N 3.34Å; V186-Q188 PolarHBondContact O-N 2.93Å; Q188-K190 PolarHBondContact O-N 3.49Å; Q188-K190 VanDerWaalsContact O-N 3.08Å; Q188-I191 WeakPolarHBondContact O-CA 3.4Å; Q188-I191 WeakPolarHBondContact O-CB 3.37Å; Q188-I191 PolarHBondContact O-N 2.85Å; Q188-F192 HydrophobicContact CB-CD1 4.41Å; Q188-F192 HydrophobicContact CB-CD2 4.44Å; Q188-F192 HydrophobicContact CB-CE1 3.81Å; Q188-F192 HydrophobicContact CB-CE2 3.88Å; Q188-F192 HydrophobicContact CB-CZ 3.54Å; Q188-F192 HydrophobicContact CG-CZ 4.46Å; Q188-F192 PolarHBondContact O-N 3.24Å
189R97.4Very high97.4Very high97 Ų9726 Ų2637%0.36613%0.126SC..Hα-helixtrans-52.3-38-175-174.4-179.8-168-70.6-6.2113.5E20 V186 I191 F192 T193 M211E20-R189 VanDerWaalsContact CD-NE 3.32Å; E20-R189 IonicContact OE1-CZ 2.71Å; E20-R189 IonicContact OE1-NE 3.98Å; E20-R189 PolarHBondContact OE1-NE 2.93Å; E20-R189 VanDerWaalsContact OE1-NE 3.08Å; E20-R189 IonicContact OE1-NH2 2.7Å; E20-R189 PolarHBondContact OE1-NH2 2.96Å; E20-R189 VanDerWaalsContact OE2-CD 3.29Å; E20-R189 WeakPolarHBondContact OE2-CD 3.49Å; E20-R189 IonicContact OE2-CZ 3.29Å; E20-R189 IonicContact OE2-NE 3.37Å; E20-R189 PolarHBondContact OE2-NE 3.27Å; E20-R189 IonicContact OE2-NH2 3.24Å; V186-R189 WeakPolarHBondContact O-CB 3.4Å; V186-R189 PolarHBondContact O-N 2.89Å; V186-R189 VanDerWaalsContact O-N 3.11Å; R189-I191 VanDerWaalsContact C-N 3.34Å; R189-F192 PolarHBondContact O-N 2.97Å; R189-T193 WeakPolarHBondContact O-CG2 3.28Å; R189-T193 PolarHBondContact O-N 3.41Å; R189-T193 PolarHBondContact O-OG1 3.18Å; R189-M211 HydrophobicContact CB-SD 3.62Å; R189-M211 HydrophobicContact CG-CE 4.41Å; R189-M211 HydrophobicContact CG-SD 3.7Å
190K97.6Very high97.3Very high71 Ų7128.5 Ų28.531%0.30914%0.142SC..Hα-helixtrans-69.6-30.8179.8-63.6178.7176.5159.90112.7K147 A148 E151 Q188 T193 L194K147-K190 WeakPolarHBondContact O-CD 3.38Å; A148-K190 WeakPolarHBondContact O-CB 3.11Å; E151-K190 WeakPolarHBondContact OE1-CE 3.41Å; E151-K190 IonicContact OE1-NZ 2.66Å; E151-K190 PolarHBondContact OE1-NZ 2.94Å; Q188-K190 PolarHBondContact O-N 3.49Å; Q188-K190 VanDerWaalsContact O-N 3.08Å; K190-T193 WeakPolarHBondContact CA-OG1 3.27Å; K190-T193 PolarHBondContact O-OG1 3.24Å; K190-L194 PolarHBondContact O-N 3.16Å
191I97.4Very high97.2Very high1 Ų131 Ų311%0.00516%0.162CC..Hα-helixtrans-72.1-45.5172.7-59.3-176.9000110A148 V152 Y166 P167 Q170 Q188 R189 T193 L194 A195A148-I191 WeakPolarHBondContact O-CG1 3.48Å; V152-I191 HydrophobicContact CB-CD1 3.9Å; V152-I191 HydrophobicContact CG1-CD1 4.04Å; V152-I191 HydrophobicContact CG2-CD1 3.76Å; V152-I191 HydrophobicContact CG2-CG1 4.47Å; Y166-I191 HydrophobicContact CD1-CD1 4.14Å; Y166-I191 HydrophobicContact CE1-CD1 3.99Å; P167-I191 HydrophobicContact CB-CG1 4.24Å; P167-I191 HydrophobicContact CB-CG2 4.3Å; Q170-I191 HydrophobicContact CB-CG2 3.99Å; Q170-I191 HydrophobicContact CG-CG2 3.95Å; Q188-I191 WeakPolarHBondContact O-CA 3.4Å; Q188-I191 WeakPolarHBondContact O-CB 3.37Å; Q188-I191 PolarHBondContact O-N 2.85Å; R189-I191 VanDerWaalsContact C-N 3.34Å; I191-T193 VanDerWaalsContact C-N 3.35Å; I191-T193 PolarHBondContact O-N 3.03Å; I191-L194 WeakPolarHBondContact O-CA 3.07Å; I191-L194 WeakPolarHBondContact O-CB 3.48Å; I191-L194 PolarHBondContact O-N 3.38Å; I191-A195 PolarHBondContact O-N 3.1Å
192F98.3Very high97.1Very high0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-57-46.8177.1-64.4-14.3000112.3Q182 Q188 R189 L194 A195 E196 H209 M211Q182-F192 HydrophobicContact CB-CE1 4.45Å; Q182-F192 HydrophobicContact CG-CD1 4.5Å; Q182-F192 HydrophobicContact CG-CE1 3.74Å; Q182-F192 HydrophobicContact CG-CZ 4.11Å; Q188-F192 HydrophobicContact CB-CD1 4.41Å; Q188-F192 HydrophobicContact CB-CD2 4.44Å; Q188-F192 HydrophobicContact CB-CE1 3.81Å; Q188-F192 HydrophobicContact CB-CE2 3.88Å; Q188-F192 HydrophobicContact CB-CZ 3.54Å; Q188-F192 HydrophobicContact CG-CZ 4.46Å; Q188-F192 PolarHBondContact O-N 3.24Å; R189-F192 PolarHBondContact O-N 2.97Å; F192-L194 VanDerWaalsContact C-N 3.31Å; F192-L194 PolarHBondContact O-N 3.39Å; F192-A195 WeakPolarHBondContact O-CB 3.42Å; F192-A195 PolarHBondContact O-N 2.99Å; F192-A195 VanDerWaalsContact O-N 3.16Å; F192-E196 PolarHBondContact O-N 3.07Å; F192-H209 HydrophobicContact CB-CB 4.07Å; F192-H209 WeakPolarHBondContact CB-CD2 3.33Å; F192-H209 AromaticContact CD1-CD2 3.48Å; F192-H209 VanDerWaalsContact CD1-CD2 3.48Å; F192-H209 WeakPolarHBondContact CD1-CD2 3.39Å; F192-H209 HydrophobicContact CD2-CB 3.75Å; F192-H209 AromaticContact CD2-CD2 3.87Å; F192-H209 HydrophobicContact CE2-CB 4.42Å; F192-H209 HydrophobicContact CG-CB 4Å; F192-H209 AromaticContact CG-CD2 3.27Å; F192-H209 WeakPolarHBondContact CG-CD2 3.48Å; F192-H209 AromaticContact CG-CG 3.75Å; F192-M211 HydrophobicContact CD2-CG 3.77Å; F192-M211 HydrophobicContact CD2-SD 3.85Å; F192-M211 HydrophobicContact CE2-CG 3.57Å; F192-M211 HydrophobicContact CE2-SD 4.24Å
193T97.6Very high97Very high52 Ų5235.8 Ų35.832%0.31920%0.203SC..Hα-helixtrans-67.4-27.9175.951.30000113.8L22 R189 K190 I191 K197L22-T193 HydrophobicContact CD1-CG2 4.21Å; R189-T193 WeakPolarHBondContact O-CG2 3.28Å; R189-T193 PolarHBondContact O-N 3.41Å; R189-T193 PolarHBondContact O-OG1 3.18Å; K190-T193 WeakPolarHBondContact CA-OG1 3.27Å; K190-T193 PolarHBondContact O-OG1 3.24Å; I191-T193 VanDerWaalsContact C-N 3.35Å; I191-T193 PolarHBondContact O-N 3.03Å; T193-K197 WeakPolarHBondContact O-CB 3.21Å; T193-K197 PolarHBondContact O-N 3.2Å
194L97.9Very high97Very high9 Ų938.2 Ų38.25%0.04721%0.213CC..Hα-helixtrans-66.9-43.6169.9180145.9000110.6V140 A148 P167 A171 K190 I191 F192 K197 Y198V140-L194 HydrophobicContact CG1-CD1 4.27Å; A148-L194 HydrophobicContact CB-CB 3.92Å; A148-L194 HydrophobicContact CB-CD1 3.37Å; A148-L194 HydrophobicContact CB-CG 4.23Å; P167-L194 HydrophobicContact CB-CD1 4.24Å; P167-L194 HydrophobicContact CB-CD2 4.35Å; A171-L194 HydrophobicContact CB-CD2 4.35Å; K190-L194 PolarHBondContact O-N 3.16Å; I191-L194 WeakPolarHBondContact O-CA 3.07Å; I191-L194 WeakPolarHBondContact O-CB 3.48Å; I191-L194 PolarHBondContact O-N 3.38Å; F192-L194 VanDerWaalsContact C-N 3.31Å; F192-L194 PolarHBondContact O-N 3.39Å; L194-K197 PolarHBondContact O-N 3.31Å; L194-Y198 HydrophobicContact CD2-CD2 4.39Å; L194-Y198 HydrophobicContact CG-CD2 3.91Å; L194-Y198 HydrophobicContact CG-CE2 4.32Å; L194-Y198 WeakPolarHBondContact O-CD2 3.35Å; L194-Y198 PolarHBondContact O-N 3.2Å
195A98.3Very high97Very high0 Ų040.5 Ų40.50%023%0.231CC..Hα-helixtrans-61-47.1176.300000111.9A171 E174 I191 F192 K197 Y198 L199A171-A195 HydrophobicContact CB-CB 3.58Å; E174-A195 WeakPolarHBondContact OE1-CB 3.42Å; I191-A195 PolarHBondContact O-N 3.1Å; F192-A195 WeakPolarHBondContact O-CB 3.42Å; F192-A195 PolarHBondContact O-N 2.99Å; F192-A195 VanDerWaalsContact O-N 3.16Å; A195-K197 PolarHBondContact O-N 3.23Å; A195-Y198 PolarHBondContact O-N 3.49Å; A195-L199 HydrophobicContact CB-CD1 4.15Å; A195-L199 HydrophobicContact CB-CG 4.44Å; A195-L199 WeakPolarHBondContact O-CB 3.47Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.79Å
196E97.3Very high97.1Very high42 Ų4245 Ų4520%0.19625%0.247CC..Hα-helixtrans-59.4-31.7176.1-70.3-169.9-172.300113.5L22 F192 P200 K206 H209L22-E196 WeakPolarHBondContact CB-OE1 3.33Å; F192-E196 PolarHBondContact O-N 3.07Å; E196-P200 WeakPolarHBondContact O-CD 3.44Å; E196-K206 HydrophobicContact CB-CD 4.43Å; E196-K206 WeakPolarHBondContact O-CE 3.48Å; E196-H209 VanDerWaalsContact CG-CE1 3.42Å; E196-H209 WeakPolarHBondContact CG-CE1 3.4Å; E196-H209 IonicContact OE1-CE1 3.08Å; E196-H209 IonicContact OE1-ND1 3.01Å; E196-H209 PolarHBondContact OE1-ND1 2.84Å
197K97.5Very high97.2Very high115 Ų11544.9 Ų44.950%0.524%0.244SC..Hα-helixtrans-75.8-46.3178.8179.1179.4171.6-172.80111.7D144 T193 L194 A195D144-K197 IonicContact OD2-NZ 2.64Å; D144-K197 PolarHBondContact OD2-NZ 3.22Å; T193-K197 WeakPolarHBondContact O-CB 3.21Å; T193-K197 PolarHBondContact O-N 3.2Å; L194-K197 PolarHBondContact O-N 3.31Å; A195-K197 PolarHBondContact O-N 3.23Å
198Y98Very high97.5Very high18 Ų1842.8 Ų42.87%0.07123%0.232CC..Hα-helixtrans-103-25.4-164.9-75.9-79.6000115.7L136 M139 V140 D144 L194 A195 P200 S201L136-Y198 HydrophobicContact CD1-CG 4.39Å; M139-Y198 HydrophobicContact CB-CD1 4.34Å; M139-Y198 HydrophobicContact CB-CE1 4.29Å; M139-Y198 WeakPolarHBondContact O-CE1 3.46Å; V140-Y198 HydrophobicContact CB-CE1 4.41Å; V140-Y198 HydrophobicContact CG1-CE2 4.48Å; V140-Y198 HydrophobicContact CG2-CD1 3.7Å; V140-Y198 HydrophobicContact CG2-CD2 3.9Å; V140-Y198 HydrophobicContact CG2-CE1 3.82Å; V140-Y198 HydrophobicContact CG2-CE2 4Å; V140-Y198 HydrophobicContact CG2-CG 3.73Å; D144-Y198 HydrophobicContact CB-CE2 4.49Å; D144-Y198 PolarHBondContact OD2-OH 2.66Å; L194-Y198 HydrophobicContact CD2-CD2 4.39Å; L194-Y198 HydrophobicContact CG-CD2 3.91Å; L194-Y198 HydrophobicContact CG-CE2 4.32Å; L194-Y198 WeakPolarHBondContact O-CD2 3.35Å; L194-Y198 PolarHBondContact O-N 3.2Å; A195-Y198 PolarHBondContact O-N 3.49Å; Y198-P200 VanDerWaalsContact C-CD 3.48Å; Y198-P200 VanDerWaalsContact C-N 3.32Å; Y198-S201 WeakPolarHBondContact O-CB 3.35Å; Y198-S201 PolarHBondContact O-N 2.99Å
199L98.1Very high97.6Very high1 Ų141.5 Ų41.51%0.00523%0.226CC..G310 helixtrans-56.6-40.5175.1-71.2179.3000113A171 L172 E174 A195 S201 L202 G203 Y204A171-L199 HydrophobicContact CB-CD2 4.43Å; L172-L199 HydrophobicContact CD2-CD2 4.28Å; E174-L199 HydrophobicContact CB-CD1 4.2Å; E174-L199 WeakPolarHBondContact OE2-CD1 3.43Å; A195-L199 HydrophobicContact CB-CD1 4.15Å; A195-L199 HydrophobicContact CB-CG 4.44Å; A195-L199 WeakPolarHBondContact O-CB 3.47Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.79Å; L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 2.85Å; L199-L202 PolarHBondContact O-N 2.94Å; L199-G203 PolarHBondContact O-N 3.37Å; L199-Y204 CarbonylContact C-O 3.46Å; L199-Y204 HydrophobicContact CD2-CD2 4.3Å; L199-Y204 PolarHBondContact O-N 3.35Å
200P98Very high97.7Very high55 Ų5536.9 Ų36.936%0.35721%0.209SC..G310 helixtrans-60.9-30.2174.7-25.736.3000114.5E196 Y198 L202 G203 Y204 K206E196-P200 WeakPolarHBondContact O-CD 3.44Å; Y198-P200 VanDerWaalsContact C-CD 3.48Å; Y198-P200 VanDerWaalsContact C-N 3.32Å; P200-L202 PolarHBondContact O-N 3.11Å; P200-G203 PolarHBondContact O-N 3.24Å; P200-Y204 VanDerWaalsContact CA-O 3.31Å; P200-Y204 WeakPolarHBondContact CA-O 3.41Å; P200-K206 HydrophobicContact CG-CD 4.28Å; P200-K206 HydrophobicContact CG-CG 3.62Å
201S96.6Very high97.7Very high74 Ų7433.5 Ų33.552%0.51719%0.194SC..G310 helixtrans-69.2-20.8177.1-56.60000112.7Y198 L199 G203Y198-S201 WeakPolarHBondContact O-CB 3.35Å; Y198-S201 PolarHBondContact O-N 2.99Å; L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 2.85Å; S201-G203 VanDerWaalsContact C-N 3.35Å
202L95.5Very high97.6Very high31 Ų3133.8 Ų33.816%0.16220%0.196CC..G310 helixtrans-89-1.3170-63.9176.8000113R135 L136 M139 L172 L199 P200 Y204R135-L202 HydrophobicContact CB-CD2 3.54Å; L136-L202 HydrophobicContact CB-CD1 4.32Å; L136-L202 HydrophobicContact CD1-CD1 4.09Å; M139-L202 HydrophobicContact CE-CD2 3.47Å; M139-L202 VanDerWaalsContact CE-CD2 3.47Å; M139-L202 HydrophobicContact CE-CG 3.77Å; L172-L202 HydrophobicContact CD2-CD1 3.68Å; L199-L202 PolarHBondContact O-N 2.94Å; P200-L202 PolarHBondContact O-N 3.11Å; L202-Y204 HydrophobicContact CB-CD2 3.59Å; L202-Y204 HydrophobicContact CB-CE2 3.81Å; L202-Y204 HydrophobicContact CB-CG 4.37Å; L202-Y204 HydrophobicContact CD1-CD2 4.12Å; L202-Y204 HydrophobicContact CD1-CE2 4.09Å
203G97.4Very high97.3Very high69 Ų6934.7 Ų34.771%0.71120%0.202SC*.THydrogen-bonded Turntrans84.19.2-174.300000114.2L199 P200 S201L199-G203 PolarHBondContact O-N 3.37Å; P200-G203 PolarHBondContact O-N 3.24Å; S201-G203 VanDerWaalsContact C-N 3.35Å
204Y98.3Very high96.7Very high53 Ų5337.9 Ų37.921%0.20821%0.214CC..PPolyproline II helixtrans-92.3154.4179.4-59.6-43.3000112.3D132 L172 E175 L199 P200 L202D132-Y204 PolarHBondContact OD2-OH 3.16Å; L172-Y204 HydrophobicContact CD2-CE2 4.45Å; E175-Y204 HydrophobicContact CB-CD2 4.23Å; E175-Y204 HydrophobicContact CB-CG 4.27Å; E175-Y204 HydrophobicContact CG-CD1 3.62Å; E175-Y204 HydrophobicContact CG-CD2 3.89Å; E175-Y204 HydrophobicContact CG-CE1 3.76Å; E175-Y204 HydrophobicContact CG-CE2 4Å; E175-Y204 HydrophobicContact CG-CG 3.7Å; E175-Y204 WeakPolarHBondContact OE2-CB 3.48Å; L199-Y204 CarbonylContact C-O 3.46Å; L199-Y204 HydrophobicContact CD2-CD2 4.3Å; L199-Y204 PolarHBondContact O-N 3.35Å; P200-Y204 VanDerWaalsContact CA-O 3.31Å; P200-Y204 WeakPolarHBondContact CA-O 3.41Å; L202-Y204 HydrophobicContact CB-CD2 3.59Å; L202-Y204 HydrophobicContact CB-CE2 3.81Å; L202-Y204 HydrophobicContact CB-CG 4.37Å; L202-Y204 HydrophobicContact CD1-CD2 4.12Å; L202-Y204 HydrophobicContact CD1-CE2 4.09Å
205A96.9Very high95.9Very high50 Ų5039 Ų3941%0.41322%0.221SC..PPolyproline II helixtrans-72.4150.4179.500000111.8R207A205-R207 WeakPolarHBondContact O-CD 3.42Å; A205-R207 PolarHBondContact O-NH1 2.7Å
206K97Very high94.8Very high111 Ų11140 Ų4048%0.48323%0.229SC..PPolyproline II helixtrans-70.3144.6165.2-58-174.2-177.5-170.70110.3K26 E196 P200K26-K206 PolarHBondContact NZ-O 3.45Å; E196-K206 HydrophobicContact CB-CD 4.43Å; E196-K206 WeakPolarHBondContact O-CE 3.48Å; P200-K206 HydrophobicContact CG-CD 4.28Å; P200-K206 HydrophobicContact CG-CG 3.62Å
207R98.1Very high93.6Very high21 Ų2138.1 Ų38.18%0.07922%0.22CC..PPolyproline II helixtrans-102.4160.9173-8064.9-170.5-173.6-0.6110.6E174 E175 V179 D180 A205 H209E174-R207 HydrophobicContact CB-CG 4.03Å; E174-R207 HydrophobicContact CG-CG 4.38Å; E174-R207 VanDerWaalsContact OE2-CB 3.29Å; E174-R207 WeakPolarHBondContact OE2-CB 3.37Å; E174-R207 WeakPolarHBondContact OE2-CD 3.38Å; E174-R207 WeakPolarHBondContact OE2-CG 3.42Å; E175-R207 IonicContact OE2-CZ 3.66Å; E175-R207 IonicContact OE2-NH1 3.87Å; E175-R207 PolarHBondContact OE2-NH1 3.45Å; E175-R207 IonicContact OE2-NH2 2.71Å; E175-R207 PolarHBondContact OE2-NH2 3.49Å; V179-R207 HydrophobicContact CG2-CG 4.42Å; V179-R207 WeakPolarHBondContact O-CG 3.43Å; V179-R207 PolarHBondContact O-NE 3.18Å; D180-R207 WeakPolarHBondContact O-CA 3.5Å; D180-R207 WeakPolarHBondContact O-CB 3.44Å; A205-R207 WeakPolarHBondContact O-CD 3.42Å; A205-R207 PolarHBondContact O-NH1 2.7Å; R207-H209 PolarHBondContact O-CE1 3.49Å; R207-H209 PolarHBondContact O-ND1 3.12Å
208S98.5Very high92.4Very high1 Ų133 Ų331%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-81.3147.2168.7-59.40000109.7L22 G23 V27 D180 A181 Q182L22-S208 CarbonylContact O-C 3.25Å; L22-S208 VanDerWaalsContact O-CA 3.23Å; L22-S208 WeakPolarHBondContact O-CA 3.17Å; L22-S208 VanDerWaalsContact O-CB 3.3Å; L22-S208 WeakPolarHBondContact O-CB 3.4Å; G23-S208 PolarHBondContact O-OG 2.9Å; V27-S208 WeakPolarHBondContact CG2-OG 3.47Å; D180-S208 PolarHBondContact O-N 2.87Å; A181-S208 CarbonylContact C-O 3.59Å; A181-S208 WeakPolarHBondContact CA-O 3.4Å; A181-S208 VanDerWaalsContact CB-O 3.28Å; A181-S208 WeakPolarHBondContact CB-O 3.46Å; Q182-S208 PolarHBondContact N-O 3.14Å
209H98.7Very high90.9Very high0 Ų033.5 Ų33.50%020%0.203CC..EExtended strand (participates in β ladder)trans-122.1126.2-177.8-60.394.7000110.8V21 L22 E174 Q182 F192 E196 R207V21-H209 WeakPolarHBondContact CA-O 3.29Å; L22-H209 HydrophobicContact CB-CB 4.11Å; L22-H209 HydrophobicContact CD1-CB 4.31Å; L22-H209 HydrophobicContact CG-CB 4.49Å; L22-H209 PolarHBondContact N-O 3.26Å; L22-H209 PolarHBondContact O-N 2.98Å; E174-H209 IonicContact OE1-NE2 2.88Å; E174-H209 PolarHBondContact OE1-NE2 3.46Å; Q182-H209 WeakPolarHBondContact O-CA 3.4Å; F192-H209 HydrophobicContact CB-CB 4.07Å; F192-H209 WeakPolarHBondContact CB-CD2 3.33Å; F192-H209 AromaticContact CD1-CD2 3.48Å; F192-H209 VanDerWaalsContact CD1-CD2 3.48Å; F192-H209 WeakPolarHBondContact CD1-CD2 3.39Å; F192-H209 HydrophobicContact CD2-CB 3.75Å; F192-H209 AromaticContact CD2-CD2 3.87Å; F192-H209 HydrophobicContact CE2-CB 4.42Å; F192-H209 HydrophobicContact CG-CB 4Å; F192-H209 AromaticContact CG-CD2 3.27Å; F192-H209 WeakPolarHBondContact CG-CD2 3.48Å; F192-H209 AromaticContact CG-CG 3.75Å; E196-H209 VanDerWaalsContact CG-CE1 3.42Å; E196-H209 WeakPolarHBondContact CG-CE1 3.4Å; E196-H209 IonicContact OE1-CE1 3.08Å; E196-H209 IonicContact OE1-ND1 3.01Å; E196-H209 PolarHBondContact OE1-ND1 2.84Å; R207-H209 PolarHBondContact O-CE1 3.49Å; R207-H209 PolarHBondContact O-ND1 3.12Å
210L98.5Very high89Confident0 Ų034.8 Ų34.80%022%0.216CC..EExtended strand (participates in β ladder)trans-111.3114.4-176.5-56.9179.3000108.5I14 L18 V21 V38 F62 Q182 F183 G184I14-L210 HydrophobicContact CG2-CD1 3.73Å; I14-L210 HydrophobicContact CG2-CD2 4.37Å; L18-L210 HydrophobicContact CD1-CB 3.72Å; L18-L210 HydrophobicContact CD1-CD2 3.83Å; L18-L210 HydrophobicContact CD1-CG 4.26Å; V21-L210 HydrophobicContact CG1-CD2 3.88Å; V21-L210 HydrophobicContact CG2-CD2 4.13Å; V38-L210 HydrophobicContact CG1-CD1 4.43Å; F62-L210 HydrophobicContact CE1-CD1 3.81Å; F62-L210 HydrophobicContact CZ-CD1 3.68Å; Q182-L210 PolarHBondContact O-N 3.41Å; F183-L210 WeakPolarHBondContact CA-O 3.38Å; F183-L210 HydrophobicContact CB-CB 4.26Å; F183-L210 HydrophobicContact CD2-CB 4.01Å; F183-L210 VanDerWaalsContact CD2-O 3.28Å; F183-L210 WeakPolarHBondContact CD2-O 3.36Å; G184-L210 PolarHBondContact N-O 3.14Å
211M98.1Very high87.1Confident0 Ų036.3 Ų36.30%023%0.233CC..EExtended strand (participates in β ladder)trans-115.5117.6-171.5-74.6168.7-79.900112.2L18 Q19 E20 L22 G184 V186 R189 F192L18-M211 CarbonylContact C-O 3.58Å; L18-M211 WeakPolarHBondContact CA-O 3.47Å; Q19-M211 PolarHBondContact N-O 2.76Å; E20-M211 HydrophobicContact CB-CB 4.29Å; E20-M211 HydrophobicContact CB-CE 3.75Å; E20-M211 HydrophobicContact CG-CE 3.59Å; E20-M211 PolarHBondContact N-O 2.76Å; E20-M211 PolarHBondContact O-N 3.37Å; L22-M211 HydrophobicContact CD1-CE 3.82Å; L22-M211 HydrophobicContact CG-CE 3.67Å; G184-M211 CarbonylContact O-C 3.57Å; G184-M211 WeakPolarHBondContact O-CA 3.43Å; V186-M211 HydrophobicContact CB-CB 4.42Å; R189-M211 HydrophobicContact CB-SD 3.62Å; R189-M211 HydrophobicContact CG-CE 4.41Å; R189-M211 HydrophobicContact CG-SD 3.7Å; F192-M211 HydrophobicContact CD2-CG 3.77Å; F192-M211 HydrophobicContact CD2-SD 3.85Å; F192-M211 HydrophobicContact CE2-CG 3.57Å; F192-M211 HydrophobicContact CE2-SD 4.24Å
212N94.7Very high84.9Confident8 Ų842.2 Ų42.24%0.04325%0.25CC..EExtended strand (participates in β ladder)trans-76.1149.7169.8-105.42.8000111.4L18 K58 F183 G184 V186L18-N212 WeakPolarHBondContact CD2-OD1 3.07Å; K58-N212 WeakPolarHBondContact CG-ND2 3.1Å; K58-N212 WeakPolarHBondContact CG-OD1 3.38Å; F183-N212 HydrophobicContact CE2-CB 3.95Å; F183-N212 HydrophobicContact CZ-CB 4.18Å; F183-N212 WeakPolarHBondContact CZ-ND2 3.43Å; G184-N212 PolarHBondContact O-N 2.93Å; V186-N212 PolarHBondContact N-O 2.82Å
213P91.8Very high82.7Confident18 Ų1843 Ų4312%0.11725%0.253CS..  trans-66.3157.6172.526.7-31.8000112.2N17 Q19 V215 Y266N17-P213 WeakPolarHBondContact O-CD 3.2Å; Q19-P213 HydrophobicContact CB-CB 4.05Å; Q19-P213 VanDerWaalsContact OE1-CA 3.27Å; P213-V215 HydrophobicContact CG-CG2 4.38Å; P213-V215 PolarHBondContact O-N 3.19Å; P213-V215 VanDerWaalsContact O-N 3.08Å; P213-Y266 HydrophobicContact CG-CD1 4.26Å; P213-Y266 HydrophobicContact CG-CE1 3.49Å; P213-Y266 VanDerWaalsContact CG-CE1 3.49Å; P213-Y266 HydrophobicContact CG-CE2 4.3Å
214M86.2Confident80.3Confident119 Ų11942.2 Ų42.259%0.58624%0.237SC*.  trans-72.1100.8168.1-63.6-51.8-70.800109.5V186 D187V186-M214 HydrophobicContact CG1-CG 3.7Å; V186-M214 HydrophobicContact CG1-SD 4.19Å; D187-M214 HydrophobicContact CB-CE 4.41Å; D187-M214 HydrophobicContact CB-SD 3.96Å
215V80.4Confident78Confident32 Ų3243.3 Ų43.319%0.19425%0.252CS..PPolyproline II helixtrans-82.5123.8-179.7-175.70000109.7V54 P213 Y266V54-V215 HydrophobicContact CG1-CB 4.41Å; V54-V215 HydrophobicContact CG1-CG2 3.68Å; V54-V215 HydrophobicContact CG2-CB 4.12Å; V54-V215 HydrophobicContact CG2-CG1 4.05Å; V54-V215 HydrophobicContact CG2-CG2 4.11Å; P213-V215 HydrophobicContact CG-CG2 4.38Å; P213-V215 PolarHBondContact O-N 3.19Å; P213-V215 VanDerWaalsContact O-N 3.08Å; V215-Y266 HydrophobicContact CB-CD2 4.39Å; V215-Y266 HydrophobicContact CG1-CD2 3.91Å; V215-Y266 HydrophobicContact CG2-CD2 3.53Å; V215-Y266 HydrophobicContact CG2-CE2 3.92Å; V215-Y266 HydrophobicContact CG2-CG 3.9Å
216P76.1Confident75.5Confident23 Ų2344.9 Ų44.915%0.14926%0.26CS..PPolyproline II helixtrans-56.1150.7174.1-22.531.7000111.2
217G71.5Confident73.3Confident1 Ų145.3 Ų45.31%0.0126%0.264CS..BIsolated β-bridgetrans-67.1146.3175.200000113.5T219 G220 M223 G259G217-T219 PolarHBondContact O-N 2.66Å; G217-G220 VanDerWaalsContact CA-O 3.23Å; G217-G220 WeakPolarHBondContact CA-O 3.16Å; G217-G220 PolarHBondContact N-O 3.26Å; G217-G220 PolarHBondContact O-N 3.04Å; G217-M223 WeakPolarHBondContact CA-SD 3.33Å; G217-G259 WeakPolarHBondContact O-CA 3.3Å
218L71.5Confident71.3Confident7 Ų752.5 Ų52.54%0.03730%0.298CS..THydrogen-bonded Turntrans-56.3-19.2178-173.955.3000112.8V50 I232 L245 A248 V260 F263 V313 L317V50-L218 HydrophobicContact CG2-CD2 4.04Å; L218-I232 HydrophobicContact CD2-CD1 3.86Å; L218-I232 HydrophobicContact CG-CD1 4.46Å; L218-L245 HydrophobicContact CD1-CD2 3.82Å; L218-L245 HydrophobicContact CD2-CD2 3.88Å; L218-L245 HydrophobicContact CG-CD2 3.72Å; L218-A248 WeakPolarHBondContact O-CB 3.46Å; L218-V260 HydrophobicContact CD1-CB 4.4Å; L218-V260 HydrophobicContact CD1-CG2 4.16Å; L218-F263 HydrophobicContact CD1-CB 3.87Å; L218-F263 HydrophobicContact CD1-CG 4.18Å; L218-F263 HydrophobicContact CD2-CD2 4.48Å; L218-F263 HydrophobicContact CD2-CG 4.42Å; L218-V313 HydrophobicContact CD1-CG1 4.32Å; L218-L317 HydrophobicContact CD2-CD2 3.93Å
219T67.4Low69.3Low30 Ų3058.6 Ų58.618%0.18433%0.327CS..THydrogen-bonded Turntrans-110.3-7.3178.649.70000114.2G217 S230G217-T219 PolarHBondContact O-N 2.66Å; T219-S230 WeakPolarHBondContact CB-O 3.35Å; T219-S230 PolarHBondContact OG1-O 3.09Å
220G57.3Low67.6Low27 Ų2759.9 Ų59.928%0.27834%0.336SS..BIsolated β-bridgetrans156.5177.8-177.100000115.9G217 K222G217-G220 VanDerWaalsContact CA-O 3.23Å; G217-G220 WeakPolarHBondContact CA-O 3.16Å; G217-G220 PolarHBondContact N-O 3.26Å; G217-G220 PolarHBondContact O-N 3.04Å; G220-K222 PolarHBondContact O-N 2.9Å
221A57.7Low66.6Low87 Ų8760.7 Ų60.772%0.71934%0.339SS*.SBendtrans-59.6-32.8-162.400000116.8
222K50.9Low66.1Low199 Ų19960.8 Ų60.887%0.86534%0.34SS*.  trans-142.9120178.6-153.8172.5-174.5175.40111.8G220 S224G220-K222 PolarHBondContact O-N 2.9Å; K222-S224 PolarHBondContact O-N 2.94Å
223M49.1Very low65.9Low46 Ų4661.5 Ų61.523%0.22734%0.344CS..  trans-89.698.7-173.9-96.5-176.5-47.700112A51 G217 K231A51-M223 HydrophobicContact CB-CE 3.15Å; A51-M223 HydrophobicContact CB-SD 3.95Å; G217-M223 WeakPolarHBondContact CA-SD 3.33Å; M223-K231 VanDerWaalsContact C-NZ 3.28Å; M223-K231 VanDerWaalsContact CB-CE 3.42Å; M223-K231 HydrophobicContact CG-CG 4.3Å; M223-K231 VanDerWaalsContact O-CE 3.31Å; M223-K231 WeakPolarHBondContact O-CE 3.26Å; M223-K231 PolarHBondContact O-NZ 2.91Å
224S47.4Very low66Low53 Ų5360.7 Ų60.737%0.37134%0.338SS..  trans-84.2127.6173179.60000112.3K222 S226 E227 K231K222-S224 PolarHBondContact O-N 2.94Å; S224-S226 PolarHBondContact O-N 2.93Å; S224-S226 PolarHBondContact OG-N 3.22Å; S224-E227 PolarHBondContact O-N 2.9Å; S224-K231 WeakPolarHBondContact O-CD 3.43Å; S224-K231 WeakPolarHBondContact O-CE 3.45Å; S224-K231 PolarHBondContact O-NZ 2.81Å
225S49.8Very low66.4Low77 Ų7757 Ų5754%0.53832%0.321SS..THydrogen-bonded Turntrans-65.6-7.217943.80000113.1
226S43.8Very low67Low82 Ų8256.6 Ų56.657%0.57332%0.317SS*.THydrogen-bonded Turntrans-93.2-3.2-175.2-46.80000114.5S224S224-S226 PolarHBondContact O-N 2.93Å; S224-S226 PolarHBondContact OG-N 3.22Å
227E52.6Low67.9Low120 Ų12057.5 Ų57.556%0.56132%0.324SS*.  trans-120.1102.8179.7-74.7-177.7-17600111S224 E229 S230S224-E227 PolarHBondContact O-N 2.9Å; E227-E229 VanDerWaalsContact C-N 3.32Å; E227-E229 PolarHBondContact O-N 2.97Å; E227-S230 WeakPolarHBondContact CB-OG 3.06Å; E227-S230 PolarHBondContact O-N 2.88Å; E227-S230 VanDerWaalsContact O-N 3.13Å; E227-S230 PolarHBondContact O-OG 3.26Å; E227-S230 VanDerWaalsContact O-OG 3.08Å; E227-S230 PolarHBondContact OE2-OG 3.45Å
228E55Low69Low172 Ų17262.1 Ų62.180%0.80434%0.344SS*.G310 helixtrans-66.3-30.6-171.6-159.8174.6-164.900113.6K244E228-K244 PolarHBondContact O-NZ 3.15Å
229E56.4Low70Confident129 Ų12968 Ų6860%0.60337%0.372SS*.G310 helixtrans-77.8-21175.4-72.8-141.2160.900113.6E227 K231 K247E227-E229 VanDerWaalsContact C-N 3.32Å; E227-E229 PolarHBondContact O-N 2.97Å; E229-K231 VanDerWaalsContact C-N 3.32Å; E229-K247 IonicContact OE1-NZ 3.22Å; E229-K247 IonicContact OE2-NZ 3.31Å; E229-K247 PolarHBondContact OE2-NZ 3.13Å
230S63.6Low71.1Confident28 Ų2869.7 Ų69.720%0.19638%0.38CS..G310 helixtrans-90.14.6-176.474.50000112.8T219 E227T219-S230 WeakPolarHBondContact CB-O 3.35Å; T219-S230 PolarHBondContact OG1-O 3.09Å; E227-S230 WeakPolarHBondContact CB-OG 3.06Å; E227-S230 PolarHBondContact O-N 2.88Å; E227-S230 VanDerWaalsContact O-N 3.13Å; E227-S230 PolarHBondContact O-OG 3.26Å; E227-S230 VanDerWaalsContact O-OG 3.08Å; E227-S230 PolarHBondContact OE2-OG 3.45Å
231K76.9Confident72.8Confident16 Ų1668.4 Ų68.47%0.0737%0.366CS..SBendtrans-138.5142.3-177.9-68-175.5162-170.30112.6H49 M223 S224 E229 K244H49-K231 HydrophobicContact CB-CB 4.32Å; H49-K231 HydrophobicContact CB-CD 4.44Å; H49-K231 PolarHBondContact CD2-NZ 2.64Å; H49-K231 WeakPolarHBondContact NE2-CE 3.24Å; H49-K231 PolarHBondContact NE2-NZ 2.6Å; M223-K231 VanDerWaalsContact C-NZ 3.28Å; M223-K231 VanDerWaalsContact CB-CE 3.42Å; M223-K231 HydrophobicContact CG-CG 4.3Å; M223-K231 VanDerWaalsContact O-CE 3.31Å; M223-K231 WeakPolarHBondContact O-CE 3.26Å; M223-K231 PolarHBondContact O-NZ 2.91Å; S224-K231 WeakPolarHBondContact O-CD 3.43Å; S224-K231 WeakPolarHBondContact O-CE 3.45Å; S224-K231 PolarHBondContact O-NZ 2.81Å; E229-K231 VanDerWaalsContact C-N 3.32Å; K231-K244 VanDerWaalsContact O-CD 3.28Å; K231-K244 WeakPolarHBondContact O-CD 3.45Å; K231-K244 WeakPolarHBondContact O-CE 3.14Å; K231-K244 PolarHBondContact O-NZ 2.92Å
232I87.3Confident74.5Confident2 Ų268.5 Ų68.51%0.0135%0.35CS..  trans-89.8112.9169.1-57-178.1000108H49 V50 L218 D236 V241 K244 L245 L317H49-I232 VanDerWaalsContact CB-O 3.25Å; H49-I232 WeakPolarHBondContact CB-O 3.28Å; V50-I232 HydrophobicContact CG1-CB 3.92Å; V50-I232 HydrophobicContact CG1-CG2 3.65Å; V50-I232 WeakPolarHBondContact CG1-O 3.15Å; V50-I232 HydrophobicContact CG2-CB 3.81Å; V50-I232 HydrophobicContact CG2-CG2 4.46Å; V50-I232 PolarHBondContact N-O 3.09Å; L218-I232 HydrophobicContact CD2-CD1 3.86Å; L218-I232 HydrophobicContact CG-CD1 4.46Å; I232-D236 WeakPolarHBondContact CA-OD2 3.4Å; I232-D236 HydrophobicContact CG2-CB 4.44Å; I232-V241 HydrophobicContact CD1-CG1 4.46Å; I232-V241 HydrophobicContact CG2-CB 4.48Å; I232-V241 HydrophobicContact CG2-CG2 3.68Å; I232-K244 HydrophobicContact CD1-CB 4.1Å; I232-K244 HydrophobicContact CG1-CB 3.71Å; I232-K244 HydrophobicContact CG1-CD 3.98Å; I232-K244 HydrophobicContact CG1-CG 4.49Å; I232-L245 HydrophobicContact CD1-CD2 4.34Å; I232-L245 HydrophobicContact CD1-CG 3.8Å; I232-L317 HydrophobicContact CD1-CD2 4.24Å; I232-L317 HydrophobicContact CG2-CD2 4.45Å
233D91.3Very high76.4Confident24 Ų2464.3 Ų64.313%0.12833%0.332CS..BIsolated β-bridgetrans-71.3151.3175.6-166.8-82.8000110K47 L235 D236K47-D233 WeakPolarHBondContact CD-OD2 3.49Å; K47-D233 WeakPolarHBondContact CE-OD1 3.4Å; K47-D233 WeakPolarHBondContact CE-OD2 3.47Å; K47-D233 IonicContact NZ-OD1 3.05Å; K47-D233 PolarHBondContact NZ-OD1 2.79Å; K47-D233 IonicContact NZ-OD2 3.79Å; K47-D233 PolarHBondContact NZ-OD2 3.26Å; D233-L235 PolarHBondContact O-N 2.93Å; D233-L235 WeakPolarHBondContact OD1-CB 3.42Å; D233-L235 PolarHBondContact OD1-N 3.18Å; D233-D236 HydrophobicContact CB-CB 4.35Å; D233-D236 WeakPolarHBondContact CB-OD1 3.22Å; D233-D236 PolarHBondContact N-OD2 3.01Å; D233-D236 PolarHBondContact O-N 2.86Å
234L93.8Very high78.3Confident0 Ų063.4 Ų63.40%033%0.327CS..THydrogen-bonded Turntrans-65.2-19.2177.3-63.5172.5000112.5P48 V50 F53 V100 M104 L321P48-L234 HydrophobicContact CB-CD1 3.92Å; V50-L234 HydrophobicContact CG1-CD2 4.22Å; F53-L234 HydrophobicContact CD2-CD2 4.14Å; F53-L234 HydrophobicContact CE2-CD2 3.61Å; F53-L234 HydrophobicContact CZ-CD2 4.33Å; V100-L234 HydrophobicContact CG2-CB 4.43Å; V100-L234 HydrophobicContact CG2-CD1 3.5Å; M104-L234 HydrophobicContact CE-CD1 4.29Å; M104-L234 HydrophobicContact CE-CD2 4.06Å; M104-L234 HydrophobicContact CG-CD1 4.28Å; M104-L234 HydrophobicContact SD-CD1 3.56Å; M104-L234 VanDerWaalsContact SD-CD1 3.56Å; M104-L234 HydrophobicContact SD-CD2 4.32Å; L234-L321 HydrophobicContact CB-CD2 4.46Å; L234-L321 HydrophobicContact CD2-CD2 3.92Å
235L94.1Very high80.4Confident43 Ų4361 Ų6123%0.22531%0.31CS..THydrogen-bonded Turntrans-108.52.8-179.8-52.6-177.5000113.6Y96 D233 I324 F328 T337Y96-L235 HydrophobicContact CE2-CD1 4.5Å; D233-L235 PolarHBondContact O-N 2.93Å; D233-L235 WeakPolarHBondContact OD1-CB 3.42Å; D233-L235 PolarHBondContact OD1-N 3.18Å; L235-I324 HydrophobicContact CD2-CG2 4.04Å; L235-F328 HydrophobicContact CD1-CB 4.23Å; L235-F328 HydrophobicContact CD1-CD1 3.87Å; L235-F328 HydrophobicContact CD1-CG 4.2Å; L235-F328 HydrophobicContact CD2-CB 3.64Å; L235-F328 HydrophobicContact CD2-CD1 4.19Å; L235-F328 HydrophobicContact CD2-CD2 4.1Å; L235-F328 HydrophobicContact CD2-CG 3.71Å; L235-T337 HydrophobicContact CD1-CG2 4.1Å
236D93.3Very high82.3Confident22 Ų2264.1 Ų64.112%0.11831%0.314CS..  trans-54.7149175.2-86.6-14.6000110.8I232 D233 D240 V241 K244 R325I232-D236 WeakPolarHBondContact CA-OD2 3.4Å; I232-D236 HydrophobicContact CG2-CB 4.44Å; D233-D236 HydrophobicContact CB-CB 4.35Å; D233-D236 WeakPolarHBondContact CB-OD1 3.22Å; D233-D236 PolarHBondContact N-OD2 3.01Å; D233-D236 PolarHBondContact O-N 2.86Å; D236-D240 HydrophobicContact CB-CB 4.03Å; D236-V241 HydrophobicContact CB-CG2 4.12Å; D236-K244 IonicContact OD1-NZ 3.04Å; D236-K244 PolarHBondContact OD1-NZ 3.24Å; D236-K244 WeakPolarHBondContact OD2-CD 3.37Å; D236-K244 WeakPolarHBondContact OD2-CE 3.3Å; D236-K244 IonicContact OD2-NZ 3.77Å; D236-K244 PolarHBondContact OD2-NZ 3.36Å; D236-R325 PolarHBondContact O-NE 2.9Å; D236-R325 PolarHBondContact O-NH2 2.89Å
237S94.4Very high84.3Confident42 Ų4266.3 Ų66.329%0.29431%0.313SS..  trans-70.2170.1175.491.30000112.3E239 D240 V241 R325S237-E239 VanDerWaalsContact CB-OE2 3.27Å; S237-E239 WeakPolarHBondContact CB-OE2 3.5Å; S237-E239 PolarHBondContact O-N 2.94Å; S237-E239 PolarHBondContact OG-N 2.91Å; S237-E239 PolarHBondContact OG-OE2 3.08Å; S237-D240 PolarHBondContact O-N 2.75Å; S237-D240 PolarHBondContact OG-N 3.08Å; S237-V241 VanDerWaalsContact O-CG2 3.31Å; S237-V241 WeakPolarHBondContact O-CG2 3.19Å; S237-V241 PolarHBondContact O-N 3.24Å; S237-R325 PolarHBondContact O-NH2 3.11Å
238K94.6Very high86Confident99 Ų9960.8 Ų60.843%0.4329%0.288SS..Hα-helixtrans-60.2-39.4174.7-69.1-177176167.90111.2K242 E322K238-K242 WeakPolarHBondContact O-CB 3.43Å; K238-K242 PolarHBondContact O-N 3.14Å; K238-E322 WeakPolarHBondContact CE-OE2 3.39Å; K238-E322 IonicContact NZ-OE2 2.68Å; K238-E322 PolarHBondContact NZ-OE2 3.06Å
239E93.4Very high87.5Confident131 Ų13157.8 Ų57.861%0.61227%0.272SS*.Hα-helixtrans-66.2-42.1179.2-5869.7-147.900111.3S237 K242 K243S237-E239 VanDerWaalsContact CB-OE2 3.27Å; S237-E239 WeakPolarHBondContact CB-OE2 3.5Å; S237-E239 PolarHBondContact O-N 2.94Å; S237-E239 PolarHBondContact OG-N 2.91Å; S237-E239 PolarHBondContact OG-OE2 3.08Å; E239-K242 PolarHBondContact O-N 2.94Å; E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 2.76Å
240D91.4Very high89.1Confident65 Ų6552.2 Ų52.235%0.34825%0.248SC..Hα-helixtrans-67.9-43.5177.3-72.2-35.3000111.9D236 S237 K242 K243 K244D236-D240 HydrophobicContact CB-CB 4.03Å; S237-D240 PolarHBondContact O-N 2.75Å; S237-D240 PolarHBondContact OG-N 3.08Å; D240-K242 VanDerWaalsContact C-N 3.32Å; D240-K242 PolarHBondContact O-N 3.19Å; D240-K243 PolarHBondContact O-N 2.75Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 VanDerWaalsContact O-CG 3.29Å; D240-K244 WeakPolarHBondContact O-CG 3.18Å; D240-K244 PolarHBondContact O-N 3.22Å
241V93Very high90.4Very high0 Ų055.5 Ų55.50%026%0.26CS..Hα-helixtrans-54.9-49.8172.4170.30000110.3I232 D236 S237 K243 K244 L245 E314 L317 L321I232-V241 HydrophobicContact CD1-CG1 4.46Å; I232-V241 HydrophobicContact CG2-CB 4.48Å; I232-V241 HydrophobicContact CG2-CG2 3.68Å; D236-V241 HydrophobicContact CB-CG2 4.12Å; S237-V241 VanDerWaalsContact O-CG2 3.31Å; S237-V241 WeakPolarHBondContact O-CG2 3.19Å; S237-V241 PolarHBondContact O-N 3.24Å; V241-K243 PolarHBondContact O-N 2.84Å; V241-K244 PolarHBondContact O-N 3.04Å; V241-L245 HydrophobicContact CG1-CD1 3.86Å; V241-L245 WeakPolarHBondContact O-CB 3.45Å; V241-L245 PolarHBondContact O-N 3.43Å; V241-E314 HydrophobicContact CG1-CG 4.47Å; V241-L317 HydrophobicContact CG1-CD2 3.92Å; V241-L317 HydrophobicContact CG1-CG 4.49Å; V241-L321 HydrophobicContact CG2-CD1 3.88Å
242K92.2Very high91.2Very high89 Ų8958 Ų5839%0.38728%0.278SS..Hα-helixtrans-59.8-47178.3-178.7170.2-160.7162.40112.2K238 E239 D240 K246 E314K238-K242 WeakPolarHBondContact O-CB 3.43Å; K238-K242 PolarHBondContact O-N 3.14Å; E239-K242 PolarHBondContact O-N 2.94Å; D240-K242 VanDerWaalsContact C-N 3.32Å; D240-K242 PolarHBondContact O-N 3.19Å; K242-K246 WeakPolarHBondContact O-CB 3.4Å; K242-K246 WeakPolarHBondContact O-CG 3.35Å; K242-K246 PolarHBondContact O-N 3.44Å; K242-E314 WeakPolarHBondContact CB-OE1 3.35Å; K242-E314 WeakPolarHBondContact CD-OE1 3.4Å; K242-E314 WeakPolarHBondContact CG-OE2 3.4Å
243K91Very high91.5Very high110 Ų11058.7 Ų58.748%0.47829%0.285SS..Hα-helixtrans-60.6-46179.2179.6-176171.4-1690111.2E239 D240 V241 K247E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 2.76Å; D240-K243 PolarHBondContact O-N 2.75Å; V241-K243 PolarHBondContact O-N 2.84Å; K243-K247 PolarHBondContact O-N 3.36Å
244K89.8Confident91.5Very high27 Ų2759.4 Ų59.412%0.11729%0.289CS..Hα-helixtrans-70.1-42.8-179.1-69.4175.6178.1-176.50111.7E228 K231 I232 D236 D240 V241 K246 K247 A248E228-K244 PolarHBondContact O-NZ 3.15Å; K231-K244 VanDerWaalsContact O-CD 3.28Å; K231-K244 WeakPolarHBondContact O-CD 3.45Å; K231-K244 WeakPolarHBondContact O-CE 3.14Å; K231-K244 PolarHBondContact O-NZ 2.92Å; I232-K244 HydrophobicContact CD1-CB 4.1Å; I232-K244 HydrophobicContact CG1-CB 3.71Å; I232-K244 HydrophobicContact CG1-CD 3.98Å; I232-K244 HydrophobicContact CG1-CG 4.49Å; D236-K244 IonicContact OD1-NZ 3.04Å; D236-K244 PolarHBondContact OD1-NZ 3.24Å; D236-K244 WeakPolarHBondContact OD2-CD 3.37Å; D236-K244 WeakPolarHBondContact OD2-CE 3.3Å; D236-K244 IonicContact OD2-NZ 3.77Å; D236-K244 PolarHBondContact OD2-NZ 3.36Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 VanDerWaalsContact O-CG 3.29Å; D240-K244 WeakPolarHBondContact O-CG 3.18Å; D240-K244 PolarHBondContact O-N 3.22Å; V241-K244 PolarHBondContact O-N 3.04Å; K244-K246 PolarHBondContact O-N 3.25Å; K244-K247 PolarHBondContact O-N 3.42Å; K244-A248 PolarHBondContact O-N 3.48Å
245L90.3Very high91.3Very high2 Ų260.5 Ų60.51%0.0130%0.296CS..Hα-helixtrans-62-40.6174.6-89172.1000112.6L218 I232 V241 K247 A248 K310 V313 E314 L317L218-L245 HydrophobicContact CD1-CD2 3.82Å; L218-L245 HydrophobicContact CD2-CD2 3.88Å; L218-L245 HydrophobicContact CG-CD2 3.72Å; I232-L245 HydrophobicContact CD1-CD2 4.34Å; I232-L245 HydrophobicContact CD1-CG 3.8Å; V241-L245 HydrophobicContact CG1-CD1 3.86Å; V241-L245 WeakPolarHBondContact O-CB 3.45Å; V241-L245 PolarHBondContact O-N 3.43Å; L245-K247 PolarHBondContact O-N 3.47Å; L245-A248 WeakPolarHBondContact O-CB 3.49Å; L245-A248 PolarHBondContact O-N 3.47Å; L245-K310 WeakPolarHBondContact O-CD 3.29Å; L245-V313 HydrophobicContact CD1-CG1 4.47Å; L245-V313 HydrophobicContact CD2-CG1 4.31Å; L245-E314 HydrophobicContact CD1-CB 3.66Å; L245-E314 HydrophobicContact CD1-CG 4.25Å; L245-L317 HydrophobicContact CD1-CD2 4.41Å
246K89.2Confident90.9Very high143 Ų14364 Ų6462%0.62232%0.315SS*.Hα-helixtrans-56.9-39176.1-81.3-177.5175.7-168.70112.4K242 K244 A248 K310K242-K246 WeakPolarHBondContact O-CB 3.4Å; K242-K246 WeakPolarHBondContact O-CG 3.35Å; K242-K246 PolarHBondContact O-N 3.44Å; K244-K246 PolarHBondContact O-N 3.25Å; K246-A248 VanDerWaalsContact C-N 3.31Å; K246-K310 PolarHBondContact O-NZ 2.89Å
247K87.2Confident90.3Very high128 Ų12869.1 Ų69.156%0.55734%0.342SS*.Hα-helixtrans-75.6-14.3177.4-67.5-176.9178.7-174.20113.9E229 K243 K244 L245 F249E229-K247 IonicContact OE1-NZ 3.22Å; E229-K247 IonicContact OE2-NZ 3.31Å; E229-K247 PolarHBondContact OE2-NZ 3.13Å; K243-K247 PolarHBondContact O-N 3.36Å; K244-K247 PolarHBondContact O-N 3.42Å; L245-K247 PolarHBondContact O-N 3.47Å; K247-F249 PolarHBondContact O-N 3.09Å
248A87Confident90Very high4 Ų467.1 Ų67.13%0.03333%0.328CS..SBendtrans-59.4138.6-178.800000111.7L218 K244 L245 K246 C250 V260 K310L218-A248 WeakPolarHBondContact O-CB 3.46Å; K244-A248 PolarHBondContact O-N 3.48Å; L245-A248 WeakPolarHBondContact O-CB 3.49Å; L245-A248 PolarHBondContact O-N 3.47Å; K246-A248 VanDerWaalsContact C-N 3.31Å; A248-C250 PolarHBondContact O-N 3.01Å; A248-V260 HydrophobicContact CB-CG2 4.27Å; A248-K310 WeakPolarHBondContact O-CE 3.5Å; A248-K310 PolarHBondContact O-NZ 3.3Å
249F86.8Confident89.7Confident110 Ų11062.6 Ų62.648%0.48231%0.31SS..  trans-65.8125.8171.2-177.2-95.8000110.1K247 E251K247-F249 PolarHBondContact O-N 3.09Å; F249-E251 HydrophobicContact CE1-CB 4.21Å; F249-E251 HydrophobicContact CE2-CB 4.39Å; F249-E251 HydrophobicContact CZ-CB 3.78Å
250C90.2Very high89.6Confident12 Ų1256.4 Ų56.48%0.08128%0.281CS..  trans-16289.5176.8-172.10000107A248 N258 V260 P306A248-C250 PolarHBondContact O-N 3.01Å; C250-N258 PolarHBondContact SG-ND2 2.98Å; C250-V260 HydrophobicContact CB-CG2 4.12Å; C250-P306 HydrophobicContact CB-CB 4.19Å; C250-P306 VanDerWaalsContact O-CB 3.27Å; C250-P306 WeakPolarHBondContact O-CB 3.36Å; C250-P306 WeakPolarHBondContact O-CG 3.42Å
251E91.9Very high89.7Confident97 Ų9753.5 Ų53.545%0.45327%0.265SS..  trans-80.4139.4179.9178.3177.1-144.700110.1F249 N254 F299F249-E251 HydrophobicContact CE1-CB 4.21Å; F249-E251 HydrophobicContact CE2-CB 4.39Å; F249-E251 HydrophobicContact CZ-CB 3.78Å; E251-N254 HydrophobicContact CB-CB 3.82Å; E251-N254 HydrophobicContact CG-CB 4.1Å; E251-N254 PolarHBondContact O-N 3.12Å; E251-N254 PolarHBondContact OE2-ND2 3.19Å; E251-F299 VanDerWaalsContact O-CE1 3.31Å; E251-F299 WeakPolarHBondContact O-CE1 3.48Å; E251-F299 VanDerWaalsContact O-CZ 3.25Å; E251-F299 WeakPolarHBondContact O-CZ 3.48Å
252P93.8Very high89.6Confident68 Ų6854.3 Ų54.344%0.44227%0.271SS..THydrogen-bonded Turntrans-54.6138.9175.4-2130.5000111.8N254 E302 P306P252-N254 PolarHBondContact O-N 2.66Å; P252-E302 HydrophobicContact CB-CG 4.46Å; P252-P306 HydrophobicContact CB-CG 4.17Å; P252-P306 HydrophobicContact CG-CG 3.78Å
253G92Very high89.5Confident17 Ų1750.4 Ų50.418%0.17525%0.254CS..THydrogen-bonded Turntrans73.5-18.8178.800000115.4T255 F299G253-T255 PolarHBondContact O-N 3.24Å; G253-F299 WeakPolarHBondContact CA-O 3.39Å; G253-F299 PolarHBondContact N-O 3Å
254N91.9Very high89.6Confident39 Ų3945.1 Ų45.121%0.20923%0.231CC..  trans-81.8102.7-174.2-170.6-3.8000112.3E251 P252 D256 N258 F299E251-N254 HydrophobicContact CB-CB 3.82Å; E251-N254 HydrophobicContact CG-CB 4.1Å; E251-N254 PolarHBondContact O-N 3.12Å; E251-N254 PolarHBondContact OE2-ND2 3.19Å; P252-N254 PolarHBondContact O-N 2.66Å; N254-D256 PolarHBondContact OD1-N 3.21Å; N254-D256 PolarHBondContact OD1-O 3.33Å; N254-N258 WeakPolarHBondContact O-CB 3.44Å; N254-N258 PolarHBondContact O-ND2 3.34Å; N254-F299 VanDerWaalsContact O-CE1 3.31Å; N254-F299 WeakPolarHBondContact O-CE1 3.44Å
255T89.8Confident89.8Confident23 Ų2347.1 Ų47.114%0.14124%0.24CC..  trans-86.6-16.7174.657.40000113.1G253 L261 E296 F299 R300G253-T255 PolarHBondContact O-N 3.24Å; T255-L261 HydrophobicContact CG2-CD1 4.08Å; T255-E296 HydrophobicContact CG2-CG 3.63Å; T255-F299 HydrophobicContact CG2-CD1 4.29Å; T255-R300 HydrophobicContact CG2-CB 3.9Å; T255-R300 HydrophobicContact CG2-CG 4.43Å
256D85.5Confident89.8Confident117 Ų11749.2 Ų49.263%0.62625%0.248SC*.THydrogen-bonded Turntrans-88.9135.2-176.5-64.1-28.8000111N254 N258N254-D256 PolarHBondContact OD1-N 3.21Å; N254-D256 PolarHBondContact OD1-O 3.33Å; D256-N258 PolarHBondContact O-N 3.39Å
257N81.9Confident89.9Confident128 Ų12842.4 Ų42.468%0.68422%0.218SC*.THydrogen-bonded Turntrans54.425.4-177.4-61.3-55000114.7G259N257-G259 PolarHBondContact O-N 3.03Å
258N88.3Confident90.1Very high1 Ų136.3 Ų36.31%0.00519%0.192CC..  trans-89.3103.4178.7-172-35.8000110.8C250 N254 D256 V260 L261 S262 F299C250-N258 PolarHBondContact SG-ND2 2.98Å; N254-N258 WeakPolarHBondContact O-CB 3.44Å; N254-N258 PolarHBondContact O-ND2 3.34Å; D256-N258 PolarHBondContact O-N 3.39Å; N258-V260 VanDerWaalsContact C-N 3.27Å; N258-V260 PolarHBondContact O-N 2.99Å; N258-V260 WeakPolarHBondContact OD1-CB 3.4Å; N258-V260 PolarHBondContact OD1-N 3.33Å; N258-L261 HydrophobicContact CB-CB 4.12Å; N258-L261 HydrophobicContact CB-CD1 4.08Å; N258-L261 HydrophobicContact CB-CG 4.34Å; N258-L261 PolarHBondContact O-N 3.16Å; N258-L261 PolarHBondContact OD1-N 3.4Å; N258-S262 WeakPolarHBondContact O-CB 2.89Å; N258-S262 PolarHBondContact O-N 3.49Å; N258-S262 PolarHBondContact O-OG 3.4Å; N258-F299 WeakPolarHBondContact ND2-CE1 3.3Å
259G87.4Confident90.2Very high4 Ų437.1 Ų37.14%0.04119%0.194CC..Hα-helixtrans-64.6-27.8-178.900000114.4G217 N257 F263G217-G259 WeakPolarHBondContact O-CA 3.3Å; N257-G259 PolarHBondContact O-N 3.03Å; G259-F263 WeakPolarHBondContact O-CB 3.31Å; G259-F263 PolarHBondContact O-N 2.84Å
260V91.4Very high90.2Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-72.2-50.2178-173.90000110L218 A248 C250 N258 S262 F263 V264 L309 K310 V313L218-V260 HydrophobicContact CD1-CB 4.4Å; L218-V260 HydrophobicContact CD1-CG2 4.16Å; A248-V260 HydrophobicContact CB-CG2 4.27Å; C250-V260 HydrophobicContact CB-CG2 4.12Å; N258-V260 VanDerWaalsContact C-N 3.27Å; N258-V260 PolarHBondContact O-N 2.99Å; N258-V260 WeakPolarHBondContact OD1-CB 3.4Å; N258-V260 PolarHBondContact OD1-N 3.33Å; V260-S262 VanDerWaalsContact C-N 3.3Å; V260-S262 PolarHBondContact O-N 3.35Å; V260-F263 PolarHBondContact O-N 2.86Å; V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 2.7Å; V260-V264 VanDerWaalsContact O-N 3.08Å; V260-L309 HydrophobicContact CB-CD2 4.25Å; V260-L309 HydrophobicContact CG1-CD2 3.82Å; V260-L309 HydrophobicContact CG1-CG 3.76Å; V260-K310 HydrophobicContact CG1-CG 4.45Å; V260-K310 HydrophobicContact CG2-CG 4.28Å; V260-V313 HydrophobicContact CG1-CB 4.29Å; V260-V313 HydrophobicContact CG1-CG2 3.74Å
261L92.3Very high90Very high4 Ų433.2 Ų33.22%0.02118%0.178CC..Hα-helixtrans-61.2-40.1174.3-76.5176.9000112T255 N258 F263 V264 K265 V295 F299 L309T255-L261 HydrophobicContact CG2-CD1 4.08Å; N258-L261 HydrophobicContact CB-CB 4.12Å; N258-L261 HydrophobicContact CB-CD1 4.08Å; N258-L261 HydrophobicContact CB-CG 4.34Å; N258-L261 PolarHBondContact O-N 3.16Å; N258-L261 PolarHBondContact OD1-N 3.4Å; L261-F263 VanDerWaalsContact C-N 3.31Å; L261-F263 PolarHBondContact O-N 2.85Å; L261-V264 WeakPolarHBondContact O-CB 3.33Å; L261-V264 PolarHBondContact O-N 3.27Å; L261-V264 VanDerWaalsContact O-N 3.15Å; L261-K265 PolarHBondContact O-N 2.81Å; L261-V295 HydrophobicContact CD2-CG1 4.1Å; L261-F299 HydrophobicContact CD1-CB 4.41Å; L261-F299 HydrophobicContact CD1-CD1 3.57Å; L261-F299 HydrophobicContact CD1-CE1 3.99Å; L261-F299 HydrophobicContact CD1-CG 3.99Å; L261-F299 HydrophobicContact CD2-CB 4.33Å; L261-F299 HydrophobicContact CD2-CG 4.25Å; L261-F299 HydrophobicContact CG-CD1 4.41Å; L261-F299 HydrophobicContact CG-CG 4.48Å; L261-L309 HydrophobicContact CD2-CD1 4.31Å; L261-L309 HydrophobicContact CD2-CD2 3.68Å; L261-L309 HydrophobicContact CG-CD2 3.88Å
262S91.4Very high89.5Confident18 Ų1832.4 Ų32.413%0.12618%0.175CC..Hα-helixtrans-62.7-40.1178.1-57.90000111.6N258 V260 V264 K265 Y266N258-S262 WeakPolarHBondContact O-CB 2.89Å; N258-S262 PolarHBondContact O-N 3.49Å; N258-S262 PolarHBondContact O-OG 3.4Å; V260-S262 VanDerWaalsContact C-N 3.3Å; V260-S262 PolarHBondContact O-N 3.35Å; S262-V264 VanDerWaalsContact C-N 3.34Å; S262-K265 PolarHBondContact O-N 3.14Å; S262-Y266 WeakPolarHBondContact O-CD2 3.27Å; S262-Y266 PolarHBondContact O-N 2.93Å
263F91.3Very high89Confident6 Ų631.6 Ų31.63%0.02618%0.178CC..Hα-helixtrans-64.9-38.3174.5-166.6-97.3000112.1V50 F53 L218 G259 V260 L261 V267 L268 V313 L317V50-F263 HydrophobicContact CB-CE2 4.42Å; F53-F263 HydrophobicContact CB-CE2 4.34Å; F53-F263 HydrophobicContact CB-CZ 4.48Å; F53-F263 HydrophobicContact CD2-CZ 4.42Å; L218-F263 HydrophobicContact CD1-CB 3.87Å; L218-F263 HydrophobicContact CD1-CG 4.18Å; L218-F263 HydrophobicContact CD2-CD2 4.48Å; L218-F263 HydrophobicContact CD2-CG 4.42Å; G259-F263 WeakPolarHBondContact O-CB 3.31Å; G259-F263 PolarHBondContact O-N 2.84Å; V260-F263 PolarHBondContact O-N 2.86Å; L261-F263 VanDerWaalsContact C-N 3.31Å; L261-F263 PolarHBondContact O-N 2.85Å; F263-V267 HydrophobicContact CD1-CB 4.42Å; F263-V267 HydrophobicContact CD2-CB 4.25Å; F263-V267 HydrophobicContact CD2-CG2 3.86Å; F263-V267 HydrophobicContact CE1-CB 4.22Å; F263-V267 HydrophobicContact CE1-CG1 4.12Å; F263-V267 HydrophobicContact CE2-CB 4.05Å; F263-V267 HydrophobicContact CE2-CG1 4.16Å; F263-V267 HydrophobicContact CE2-CG2 3.72Å; F263-V267 HydrophobicContact CG-CB 4.43Å; F263-V267 HydrophobicContact CG-CG2 4.44Å; F263-V267 HydrophobicContact CZ-CB 4.02Å; F263-V267 HydrophobicContact CZ-CG1 3.76Å; F263-V267 HydrophobicContact CZ-CG2 4.19Å; F263-V267 WeakPolarHBondContact O-CA 3.11Å; F263-V267 VanDerWaalsContact O-CB 3.26Å; F263-V267 WeakPolarHBondContact O-CB 3.39Å; F263-V267 PolarHBondContact O-N 3.21Å; F263-L268 HydrophobicContact CD1-CD1 4.24Å; F263-L268 HydrophobicContact CD1-CD2 4.42Å; F263-L268 HydrophobicContact CD1-CG 4.03Å; F263-L268 HydrophobicContact CE1-CD1 4.42Å; F263-L268 HydrophobicContact CE1-CD2 3.9Å; F263-L268 HydrophobicContact CE1-CG 4.02Å; F263-L268 PolarHBondContact O-N 2.68Å; F263-V313 HydrophobicContact CD1-CG1 4.06Å; F263-L317 HydrophobicContact CE1-CD1 4.09Å; F263-L317 HydrophobicContact CZ-CD1 3.81Å
264V92.8Very high88.9Confident0 Ų035.1 Ų35.10%019%0.19CC..Iπ-helixtrans-60.2-48.4173.21740000110.7V260 L261 S262 L268 F269 F275 F292 L309 V313V260-V264 WeakPolarHBondContact O-CG2 3.48Å; V260-V264 PolarHBondContact O-N 2.7Å; V260-V264 VanDerWaalsContact O-N 3.08Å; L261-V264 WeakPolarHBondContact O-CB 3.33Å; L261-V264 PolarHBondContact O-N 3.27Å; L261-V264 VanDerWaalsContact O-N 3.15Å; S262-V264 VanDerWaalsContact C-N 3.34Å; V264-L268 HydrophobicContact CG2-CD1 4.18Å; V264-L268 PolarHBondContact O-N 3.29Å; V264-F269 HydrophobicContact CG1-CD2 3.5Å; V264-F269 HydrophobicContact CG1-CE2 3.58Å; V264-F269 PolarHBondContact O-N 2.97Å; V264-F275 HydrophobicContact CG1-CB 4.46Å; V264-F275 HydrophobicContact CG1-CD1 3.79Å; V264-F275 HydrophobicContact CG1-CD2 4.24Å; V264-F275 HydrophobicContact CG1-CE1 4.01Å; V264-F275 HydrophobicContact CG1-CE2 4.46Å; V264-F275 HydrophobicContact CG1-CG 3.91Å; V264-F275 HydrophobicContact CG1-CZ 4.35Å; V264-F275 HydrophobicContact CG2-CE1 4.01Å; V264-F275 HydrophobicContact CG2-CE2 4.11Å; V264-F275 HydrophobicContact CG2-CZ 3.75Å; V264-F292 HydrophobicContact CB-CE2 4.34Å; V264-F292 HydrophobicContact CG1-CD2 4.1Å; V264-F292 HydrophobicContact CG1-CE2 4.11Å; V264-L309 HydrophobicContact CG2-CD1 4.3Å; V264-V313 HydrophobicContact CG2-CG2 3.42Å; V264-V313 VanDerWaalsContact CG2-CG2 3.42Å
265K92.6Very high89Confident68 Ų6833.4 Ų33.430%0.29618%0.181SC..Iπ-helixtrans-63.5-50.5-179.2-170.9177.4-176.1171.40114L261 S262 P270 F292L261-K265 PolarHBondContact O-N 2.81Å; S262-K265 PolarHBondContact O-N 3.14Å; K265-P270 WeakPolarHBondContact O-CD 3.47Å; K265-P270 WeakPolarHBondContact O-CG 3.35Å; K265-F292 HydrophobicContact CB-CD1 4.19Å; K265-F292 HydrophobicContact CB-CD2 3.79Å; K265-F292 HydrophobicContact CB-CE1 3.96Å; K265-F292 HydrophobicContact CB-CE2 3.54Å; K265-F292 HydrophobicContact CB-CG 4.12Å; K265-F292 HydrophobicContact CB-CZ 3.63Å; K265-F292 HydrophobicContact CD-CD1 3.89Å; K265-F292 HydrophobicContact CD-CE1 3.59Å; K265-F292 HydrophobicContact CD-CZ 4.04Å; K265-F292 HydrophobicContact CG-CD1 3.79Å; K265-F292 HydrophobicContact CG-CD2 4.19Å; K265-F292 HydrophobicContact CG-CE1 3.84Å; K265-F292 HydrophobicContact CG-CE2 4.23Å; K265-F292 HydrophobicContact CG-CG 3.98Å; K265-F292 HydrophobicContact CG-CZ 4.06Å
266Y91Very high89.2Confident46 Ų4635 Ų3518%0.1819%0.193CC..Iπ-helixtrans-93.8-14.5-168.4-65.9-68.1000113.6N17 P213 V215 S262N17-Y266 HydrophobicContact CB-CD1 4.06Å; N17-Y266 HydrophobicContact CB-CE1 4.18Å; P213-Y266 HydrophobicContact CG-CD1 4.26Å; P213-Y266 HydrophobicContact CG-CE1 3.49Å; P213-Y266 VanDerWaalsContact CG-CE1 3.49Å; P213-Y266 HydrophobicContact CG-CE2 4.3Å; V215-Y266 HydrophobicContact CB-CD2 4.39Å; V215-Y266 HydrophobicContact CG1-CD2 3.91Å; V215-Y266 HydrophobicContact CG2-CD2 3.53Å; V215-Y266 HydrophobicContact CG2-CE2 3.92Å; V215-Y266 HydrophobicContact CG2-CG 3.9Å; S262-Y266 WeakPolarHBondContact O-CD2 3.27Å; S262-Y266 PolarHBondContact O-N 2.93Å
267V90.8Very high89.5Confident0 Ų029.4 Ų29.40%016%0.163CC..Iπ-helixtrans-122.2-63.4-179.4-177.90000111.5F53 V54 F263 P270 L271 L320F53-V267 HydrophobicContact CB-CB 4.34Å; F53-V267 HydrophobicContact CB-CG1 3.56Å; F53-V267 HydrophobicContact CB-CG2 3.81Å; F53-V267 HydrophobicContact CG-CG1 4.19Å; V54-V267 HydrophobicContact CG2-CG2 3.82Å; F263-V267 HydrophobicContact CD1-CB 4.42Å; F263-V267 HydrophobicContact CD2-CB 4.25Å; F263-V267 HydrophobicContact CD2-CG2 3.86Å; F263-V267 HydrophobicContact CE1-CB 4.22Å; F263-V267 HydrophobicContact CE1-CG1 4.12Å; F263-V267 HydrophobicContact CE2-CB 4.05Å; F263-V267 HydrophobicContact CE2-CG1 4.16Å; F263-V267 HydrophobicContact CE2-CG2 3.72Å; F263-V267 HydrophobicContact CG-CB 4.43Å; F263-V267 HydrophobicContact CG-CG2 4.44Å; F263-V267 HydrophobicContact CZ-CB 4.02Å; F263-V267 HydrophobicContact CZ-CG1 3.76Å; F263-V267 HydrophobicContact CZ-CG2 4.19Å; F263-V267 WeakPolarHBondContact O-CA 3.11Å; F263-V267 VanDerWaalsContact O-CB 3.26Å; F263-V267 WeakPolarHBondContact O-CB 3.39Å; F263-V267 PolarHBondContact O-N 3.21Å; V267-P270 WeakPolarHBondContact O-CD 3.42Å; V267-L271 HydrophobicContact CG1-CD1 3.76Å; V267-L271 WeakPolarHBondContact O-CB 3.45Å; V267-L271 WeakPolarHBondContact O-CD1 3.43Å; V267-L271 WeakPolarHBondContact O-CG 3.25Å; V267-L271 PolarHBondContact O-N 3.01Å; V267-L320 HydrophobicContact CG1-CD1 4.24Å
268L91.2Very high89.6Confident1 Ų129.2 Ų29.21%0.00516%0.156CC..Iπ-helixtrans-68.5-48.2-167.9-59.2-177.9000113F263 V264 L271 Q272 F275 V313 A316 L320F263-L268 HydrophobicContact CD1-CD1 4.24Å; F263-L268 HydrophobicContact CD1-CD2 4.42Å; F263-L268 HydrophobicContact CD1-CG 4.03Å; F263-L268 HydrophobicContact CE1-CD1 4.42Å; F263-L268 HydrophobicContact CE1-CD2 3.9Å; F263-L268 HydrophobicContact CE1-CG 4.02Å; F263-L268 PolarHBondContact O-N 2.68Å; V264-L268 HydrophobicContact CG2-CD1 4.18Å; V264-L268 PolarHBondContact O-N 3.29Å; L268-L271 PolarHBondContact O-N 2.85Å; L268-Q272 PolarHBondContact O-N 2.7Å; L268-F275 HydrophobicContact CB-CD2 4.34Å; L268-F275 HydrophobicContact CD1-CD2 4.07Å; L268-F275 HydrophobicContact CD1-CE2 3.61Å; L268-V313 HydrophobicContact CD1-CG1 4.42Å; L268-V313 HydrophobicContact CD1-CG2 4.1Å; L268-A316 HydrophobicContact CD1-CB 3.76Å; L268-A316 HydrophobicContact CD2-CB 3.86Å; L268-A316 HydrophobicContact CG-CB 4.42Å; L268-L320 HydrophobicContact CD2-CD1 3.85Å
269F90Very high89.5Confident20 Ų2030.3 Ų30.39%0.08816%0.16CC..Hα-helixtrans-59.7-50.3178.4-97.5-83000113.4V264 L271 Q272 G273 F275 F292 V295V264-F269 HydrophobicContact CG1-CD2 3.5Å; V264-F269 HydrophobicContact CG1-CE2 3.58Å; V264-F269 PolarHBondContact O-N 2.97Å; F269-L271 PolarHBondContact O-N 2.95Å; F269-L271 VanDerWaalsContact O-N 3.14Å; F269-Q272 PolarHBondContact O-N 3.15Å; F269-G273 WeakPolarHBondContact O-CA 3.42Å; F269-G273 PolarHBondContact O-N 3.08Å; F269-F275 HydrophobicContact CD2-CB 3.98Å; F269-F275 HydrophobicContact CE1-CB 4.28Å; F269-F275 HydrophobicContact CE2-CB 3.44Å; F269-F275 VanDerWaalsContact CE2-CB 3.44Å; F269-F275 HydrophobicContact CE2-CD1 4.4Å; F269-F275 HydrophobicContact CE2-CG 4.17Å; F269-F275 HydrophobicContact CZ-CB 3.62Å; F269-F292 HydrophobicContact CD1-CB 4.49Å; F269-F292 HydrophobicContact CD2-CB 4Å; F269-F292 AromaticContact CD2-CD2 3.77Å; F269-F292 HydrophobicContact CD2-CD2 3.77Å; F269-F292 HydrophobicContact CD2-CG 4.38Å; F269-F292 HydrophobicContact CE1-CB 4.48Å; F269-F292 HydrophobicContact CE2-CB 3.98Å; F269-F292 AromaticContact CE2-CD2 3.78Å; F269-F292 HydrophobicContact CE2-CD2 3.78Å; F269-F292 HydrophobicContact CE2-CG 4.39Å; F269-F292 HydrophobicContact CG-CB 4.25Å; F269-F292 HydrophobicContact CZ-CB 4.22Å; F269-V295 HydrophobicContact CE2-CB 4.47Å; F269-V295 HydrophobicContact CE2-CG2 3.76Å; F269-V295 HydrophobicContact CZ-CG2 3.71Å
270P87.4Confident89.3Confident14 Ų1433.7 Ų33.79%0.09118%0.178CC..Hα-helixtrans-61.2-24.1179.3-27.936.5000114.4R16 R64 K265 V267R16-P270 PolarHBondContact NH2-O 3.26Å; R64-P270 PolarHBondContact NH1-O 3.18Å; K265-P270 WeakPolarHBondContact O-CD 3.47Å; K265-P270 WeakPolarHBondContact O-CG 3.35Å; V267-P270 WeakPolarHBondContact O-CD 3.42Å
271L85.2Confident89Confident26 Ų2638.9 Ų38.914%0.13621%0.211CC..Hα-helixtrans-88.2-42.8-178.2-66.8-179.3000112.8I108 V267 L268 F269 L320I108-L271 HydrophobicContact CB-CD2 4.12Å; I108-L271 HydrophobicContact CD1-CD1 4.46Å; I108-L271 HydrophobicContact CD1-CD2 4.12Å; I108-L271 HydrophobicContact CG1-CD1 3.92Å; I108-L271 HydrophobicContact CG1-CD2 3.75Å; I108-L271 HydrophobicContact CG1-CG 4.5Å; I108-L271 HydrophobicContact CG2-CD2 3.4Å; V267-L271 HydrophobicContact CG1-CD1 3.76Å; V267-L271 WeakPolarHBondContact O-CB 3.45Å; V267-L271 WeakPolarHBondContact O-CD1 3.43Å; V267-L271 WeakPolarHBondContact O-CG 3.25Å; V267-L271 PolarHBondContact O-N 3.01Å; L268-L271 PolarHBondContact O-N 2.85Å; F269-L271 PolarHBondContact O-N 2.95Å; F269-L271 VanDerWaalsContact O-N 3.14Å; L271-L320 HydrophobicContact CD1-CD1 3.99Å; L271-L320 HydrophobicContact CD1-CD2 4.17Å
272Q82.6Confident88.7Confident81 Ų8145.6 Ų45.638%0.37924%0.24SC..Hα-helixtrans-100.4-21.2-173.2-65-176.6-2400113.4L268 F269 E274L268-Q272 PolarHBondContact O-N 2.7Å; F269-Q272 PolarHBondContact O-N 3.15Å; Q272-E274 WeakPolarHBondContact CB-O 3.23Å; Q272-E274 PolarHBondContact O-N 3.32Å
273G82.9Confident88.2Confident50 Ų5053 Ų5352%0.51527%0.266SS..SBendtrans76.6-17.2-173.300000114.1F269F269-G273 WeakPolarHBondContact O-CA 3.42Å; F269-G273 PolarHBondContact O-N 3.08Å
274E90.2Very high87.7Confident92 Ų9256 Ų5643%0.4330%0.298SS..SBendtrans-141.9163.2176.262.5-179.3-155.200110.6Q272 V288 Y289Q272-E274 WeakPolarHBondContact CB-O 3.23Å; Q272-E274 PolarHBondContact O-N 3.32Å; E274-V288 HydrophobicContact CB-CG1 4.02Å; E274-V288 HydrophobicContact CG-CG1 4.27Å; E274-Y289 CarbonylContact C-O 3.53Å; E274-Y289 WeakPolarHBondContact CA-O 3.19Å; E274-Y289 WeakPolarHBondContact CB-O 3.21Å
275F93.6Very high87.4Confident2 Ų256.7 Ų56.71%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-134.7123.2173.9-177.5-115.9000110.4V264 L268 F269 I277 Y289 V295 L309 V313V264-F275 HydrophobicContact CG1-CB 4.46Å; V264-F275 HydrophobicContact CG1-CD1 3.79Å; V264-F275 HydrophobicContact CG1-CD2 4.24Å; V264-F275 HydrophobicContact CG1-CE1 4.01Å; V264-F275 HydrophobicContact CG1-CE2 4.46Å; V264-F275 HydrophobicContact CG1-CG 3.91Å; V264-F275 HydrophobicContact CG1-CZ 4.35Å; V264-F275 HydrophobicContact CG2-CE1 4.01Å; V264-F275 HydrophobicContact CG2-CE2 4.11Å; V264-F275 HydrophobicContact CG2-CZ 3.75Å; L268-F275 HydrophobicContact CB-CD2 4.34Å; L268-F275 HydrophobicContact CD1-CD2 4.07Å; L268-F275 HydrophobicContact CD1-CE2 3.61Å; F269-F275 HydrophobicContact CD2-CB 3.98Å; F269-F275 HydrophobicContact CE1-CB 4.28Å; F269-F275 HydrophobicContact CE2-CB 3.44Å; F269-F275 VanDerWaalsContact CE2-CB 3.44Å; F269-F275 HydrophobicContact CE2-CD1 4.4Å; F269-F275 HydrophobicContact CE2-CG 4.17Å; F269-F275 HydrophobicContact CZ-CB 3.62Å; F275-I277 HydrophobicContact CD1-CD1 4.28Å; F275-I277 HydrophobicContact CD1-CG1 3.84Å; F275-I277 HydrophobicContact CE1-CD1 3.9Å; F275-I277 HydrophobicContact CE1-CG1 3.5Å; F275-I277 VanDerWaalsContact CE1-CG1 3.5Å; F275-I277 HydrophobicContact CZ-CG1 4.39Å; F275-Y289 PolarHBondContact N-O 2.91Å; F275-Y289 WeakPolarHBondContact O-CD2 3.33Å; F275-Y289 PolarHBondContact O-N 2.94Å; F275-V295 HydrophobicContact CD1-CG2 4.28Å; F275-L309 HydrophobicContact CE1-CD1 3.87Å; F275-L309 HydrophobicContact CZ-CD1 4.25Å; F275-V313 HydrophobicContact CE2-CG2 4.34Å; F275-V313 HydrophobicContact CZ-CG2 3.93Å
276S92.7Very high87.3Confident56 Ų5658.7 Ų58.739%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-97.8122.3-179.9-66.60000111S312S276-S312 WeakPolarHBondContact O-CB 3.19Å
277I92.1Very high87.4Confident1 Ų160.1 Ų60.11%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-99.9119.4171.7-61.7-174.6000109.3F275 D286 K287 Y289 V295 I304 D308 L309 S312F275-I277 HydrophobicContact CD1-CD1 4.28Å; F275-I277 HydrophobicContact CD1-CG1 3.84Å; F275-I277 HydrophobicContact CE1-CD1 3.9Å; F275-I277 HydrophobicContact CE1-CG1 3.5Å; F275-I277 VanDerWaalsContact CE1-CG1 3.5Å; F275-I277 HydrophobicContact CZ-CG1 4.39Å; I277-D286 WeakPolarHBondContact O-CA 3.19Å; I277-K287 PolarHBondContact N-O 3.05Å; I277-K287 PolarHBondContact O-N 3.12Å; I277-Y289 HydrophobicContact CB-CE2 4.1Å; I277-Y289 HydrophobicContact CD1-CD2 4.2Å; I277-Y289 HydrophobicContact CD1-CE2 3.57Å; I277-Y289 HydrophobicContact CG1-CD2 4.16Å; I277-Y289 HydrophobicContact CG1-CE2 3.79Å; I277-V295 HydrophobicContact CD1-CG1 4.41Å; I277-I304 HydrophobicContact CD1-CD1 3.42Å; I277-I304 VanDerWaalsContact CD1-CD1 3.42Å; I277-I304 HydrophobicContact CD1-CG1 3.81Å; I277-I304 HydrophobicContact CD1-CG2 3.86Å; I277-I304 HydrophobicContact CG2-CG2 4.5Å; I277-D308 HydrophobicContact CG2-CB 4.3Å; I277-L309 HydrophobicContact CD1-CD1 4.33Å; I277-S312 WeakPolarHBondContact CA-OG 3.29Å
278K84.5Confident87.6Confident124 Ų12463.8 Ų63.854%0.53935%0.348SS..PPolyproline II helixtrans-86.6123.6172.8-64.6-164.9175.5-168.70110.2D286 S312K278-D286 VanDerWaalsContact CA-OD1 3.24Å; K278-D286 WeakPolarHBondContact CA-OD1 3.38Å; K278-S312 PolarHBondContact N-OG 3.07Å; K278-S312 VanDerWaalsContact N-OG 3.12Å
279R85.6Confident87.7Confident24 Ų2463.7 Ų63.79%0.09135%0.348CS..  trans-139.5153.4178.968.5175.192.3-160.6-5.6110.6W283 G285 D286 Y289 M303R279-W283 WeakPolarHBondContact CD-O 3.45Å; R279-W283 PolarHBondContact NH1-O 3.41Å; R279-G285 WeakPolarHBondContact CD-O 3.46Å; R279-G285 WeakPolarHBondContact CG-O 3.12Å; R279-G285 PolarHBondContact NE-O 3.45Å; R279-G285 VanDerWaalsContact NE-O 3.13Å; R279-D286 PolarHBondContact N-OD1 2.87Å; R279-D286 VanDerWaalsContact N-OD1 3.12Å; R279-Y289 PolarHBondContact NH2-OH 2.85Å; R279-Y289 VanDerWaalsContact NH2-OH 3.08Å; R279-M303 PolarHBondContact NH1-O 3.48Å
280D83.3Confident87.9Confident75 Ų7567.8 Ų67.840%0.40137%0.374SS..  trans-59.3135.9176.3-167.4-46.6000110.2K282 W283D280-K282 HydrophobicContact CB-CD 4.42Å; D280-K282 HydrophobicContact CB-CG 4.03Å; D280-K282 VanDerWaalsContact CG-CE 3.47Å; D280-K282 PolarHBondContact O-N 3.16Å; D280-K282 WeakPolarHBondContact OD1-CG 3.38Å; D280-K282 PolarHBondContact OD1-N 3.2Å; D280-K282 WeakPolarHBondContact OD2-CE 2.93Å; D280-K282 IonicContact OD2-NZ 3.38Å; D280-K282 PolarHBondContact OD2-NZ 2.85Å; D280-W283 PolarHBondContact O-N 3.33Å
281P86.1Confident88.1Confident109 Ų10970.8 Ų70.871%0.70839%0.39SS*.G310 helixtrans-49.4-30.1177.8-3135.9000114.6W283 G284P281-W283 PolarHBondContact O-N 3.05Å; P281-W283 VanDerWaalsContact O-N 3.15Å; P281-G284 PolarHBondContact O-N 3.08Å
282K85.6Confident88.5Confident144 Ų14470.8 Ų70.863%0.62639%0.389SS*.G310 helixtrans-62.4-18.2176.174-168.2171.2-175.90114.4D280D280-K282 HydrophobicContact CB-CD 4.42Å; D280-K282 HydrophobicContact CB-CG 4.03Å; D280-K282 VanDerWaalsContact CG-CE 3.47Å; D280-K282 PolarHBondContact O-N 3.16Å; D280-K282 WeakPolarHBondContact OD1-CG 3.38Å; D280-K282 PolarHBondContact OD1-N 3.2Å; D280-K282 WeakPolarHBondContact OD2-CE 2.93Å; D280-K282 IonicContact OD2-NZ 3.38Å; D280-K282 PolarHBondContact OD2-NZ 2.85Å
283W81.6Confident89Confident175 Ų17572.7 Ų72.766%0.66340%0.396SS*.G310 helixtrans-114.521.2-180-57124.4000113.1R279 D280 P281R279-W283 WeakPolarHBondContact CD-O 3.45Å; R279-W283 PolarHBondContact NH1-O 3.41Å; D280-W283 PolarHBondContact O-N 3.33Å; P281-W283 PolarHBondContact O-N 3.05Å; P281-W283 VanDerWaalsContact O-N 3.15Å
284G79.2Confident89.6Confident68 Ų6874.4 Ų74.470%0.70139%0.39SS*.THydrogen-bonded Turntrans106.6-3.1174.700000115.6P281P281-G284 PolarHBondContact O-N 3.08Å
285G86.3Confident89.7Confident15 Ų1570 Ų7016%0.15537%0.37CS..  trans66.7171.7178.600000114.8R279 K287R279-G285 WeakPolarHBondContact CD-O 3.46Å; R279-G285 WeakPolarHBondContact CG-O 3.12Å; R279-G285 PolarHBondContact NE-O 3.45Å; R279-G285 VanDerWaalsContact NE-O 3.13Å; G285-K287 PolarHBondContact O-N 2.82Å
286D91.9Very high89.8Confident109 Ų10972.2 Ų72.258%0.58338%0.38SS*.  trans-50.1133.9-176.7-68.61.6000112.1I277 K278 R279I277-D286 WeakPolarHBondContact O-CA 3.19Å; K278-D286 VanDerWaalsContact CA-OD1 3.24Å; K278-D286 WeakPolarHBondContact CA-OD1 3.38Å; R279-D286 PolarHBondContact N-OD1 2.87Å; R279-D286 VanDerWaalsContact N-OD1 3.12Å
287K92.9Very high89.9Confident76 Ų7672.7 Ų72.733%0.3338%0.379SS..EExtended strand (participates in β ladder)trans-129.4132.6179.2-176.2169.5169.6-171.50110.2I277 G285 Y289 D298I277-K287 PolarHBondContact N-O 3.05Å; I277-K287 PolarHBondContact O-N 3.12Å; G285-K287 PolarHBondContact O-N 2.82Å; K287-Y289 HydrophobicContact CB-CE2 4.04Å; K287-Y289 HydrophobicContact CD-CE1 4Å; K287-Y289 HydrophobicContact CD-CE2 4.08Å; K287-Y289 WeakPolarHBondContact CD-OH 3.42Å; K287-Y289 VanDerWaalsContact CE-CE1 3.48Å; K287-Y289 HydrophobicContact CG-CD2 4.32Å; K287-Y289 HydrophobicContact CG-CE1 4.41Å; K287-Y289 HydrophobicContact CG-CE2 3.81Å; K287-D298 IonicContact NZ-OD1 2.7Å; K287-D298 IonicContact NZ-OD2 3.3Å; K287-D298 PolarHBondContact NZ-OD2 2.84Å
288V94.8Very high90Very high77 Ų7774.3 Ų74.347%0.46739%0.387SS..EExtended strand (participates in β ladder)trans-101.9130.3175.3-173.80000108.5E274E274-V288 HydrophobicContact CB-CG1 4.02Å; E274-V288 HydrophobicContact CG-CG1 4.27Å
289Y94.3Very high90.5Very high0 Ų068.4 Ų68.40%036%0.362CS..EExtended strand (participates in β ladder)trans-111.6129.8179.8-64.1-95.4000110E274 F275 I277 R279 K287 E294 V295 D298E274-Y289 CarbonylContact C-O 3.53Å; E274-Y289 WeakPolarHBondContact CA-O 3.19Å; E274-Y289 WeakPolarHBondContact CB-O 3.21Å; F275-Y289 PolarHBondContact N-O 2.91Å; F275-Y289 WeakPolarHBondContact O-CD2 3.33Å; F275-Y289 PolarHBondContact O-N 2.94Å; I277-Y289 HydrophobicContact CB-CE2 4.1Å; I277-Y289 HydrophobicContact CD1-CD2 4.2Å; I277-Y289 HydrophobicContact CD1-CE2 3.57Å; I277-Y289 HydrophobicContact CG1-CD2 4.16Å; I277-Y289 HydrophobicContact CG1-CE2 3.79Å; R279-Y289 PolarHBondContact NH2-OH 2.85Å; R279-Y289 VanDerWaalsContact NH2-OH 3.08Å; K287-Y289 HydrophobicContact CB-CE2 4.04Å; K287-Y289 HydrophobicContact CD-CE1 4Å; K287-Y289 HydrophobicContact CD-CE2 4.08Å; K287-Y289 WeakPolarHBondContact CD-OH 3.42Å; K287-Y289 VanDerWaalsContact CE-CE1 3.48Å; K287-Y289 HydrophobicContact CG-CD2 4.32Å; K287-Y289 HydrophobicContact CG-CE1 4.41Å; K287-Y289 HydrophobicContact CG-CE2 3.81Å; Y289-E294 HydrophobicContact CD1-CB 3.7Å; Y289-E294 HydrophobicContact CE1-CB 4.16Å; Y289-V295 VanDerWaalsContact CB-CG2 3.43Å; Y289-V295 HydrophobicContact CD1-CB 4.43Å; Y289-V295 HydrophobicContact CD1-CG2 3.51Å; Y289-V295 HydrophobicContact CD2-CG2 3.7Å; Y289-V295 HydrophobicContact CE1-CG2 4.09Å; Y289-V295 HydrophobicContact CE2-CG2 4.3Å; Y289-V295 HydrophobicContact CG-CG2 3.27Å; Y289-D298 HydrophobicContact CE1-CB 4.31Å; Y289-D298 WeakPolarHBondContact CE1-OD2 3.4Å; Y289-D298 VanDerWaalsContact CZ-OD2 3.29Å; Y289-D298 PolarHBondContact OH-OD2 3.01Å
290T93.4Very high91Very high105 Ų10572.3 Ų72.364%0.64438%0.376SS*.SBendtrans-102.2-11.9175.653.50000112.9
291D92.3Very high91.5Very high78 Ų7871.1 Ų71.142%0.41738%0.381SS..SBendtrans-123.8131.5172.9-175-1000109.6K293 E294D291-K293 PolarHBondContact O-N 2.86Å; D291-K293 PolarHBondContact OD1-N 3.3Å; D291-E294 HydrophobicContact CB-CG 4.25Å; D291-E294 PolarHBondContact O-N 3.47Å
292F92.8Very high91.9Very high26 Ų2672.3 Ų72.311%0.11438%0.378CS..Hα-helixtrans-62-31.8175.4175.7-97.7000111.7V264 K265 F269 E294 V295 E296V264-F292 HydrophobicContact CB-CE2 4.34Å; V264-F292 HydrophobicContact CG1-CD2 4.1Å; V264-F292 HydrophobicContact CG1-CE2 4.11Å; K265-F292 HydrophobicContact CB-CD1 4.19Å; K265-F292 HydrophobicContact CB-CD2 3.79Å; K265-F292 HydrophobicContact CB-CE1 3.96Å; K265-F292 HydrophobicContact CB-CE2 3.54Å; K265-F292 HydrophobicContact CB-CG 4.12Å; K265-F292 HydrophobicContact CB-CZ 3.63Å; K265-F292 HydrophobicContact CD-CD1 3.89Å; K265-F292 HydrophobicContact CD-CE1 3.59Å; K265-F292 HydrophobicContact CD-CZ 4.04Å; K265-F292 HydrophobicContact CG-CD1 3.79Å; K265-F292 HydrophobicContact CG-CD2 4.19Å; K265-F292 HydrophobicContact CG-CE1 3.84Å; K265-F292 HydrophobicContact CG-CE2 4.23Å; K265-F292 HydrophobicContact CG-CG 3.98Å; K265-F292 HydrophobicContact CG-CZ 4.06Å; F269-F292 HydrophobicContact CD1-CB 4.49Å; F269-F292 HydrophobicContact CD2-CB 4Å; F269-F292 AromaticContact CD2-CD2 3.77Å; F269-F292 HydrophobicContact CD2-CD2 3.77Å; F269-F292 HydrophobicContact CD2-CG 4.38Å; F269-F292 HydrophobicContact CE1-CB 4.48Å; F269-F292 HydrophobicContact CE2-CB 3.98Å; F269-F292 AromaticContact CE2-CD2 3.78Å; F269-F292 HydrophobicContact CE2-CD2 3.78Å; F269-F292 HydrophobicContact CE2-CG 4.39Å; F269-F292 HydrophobicContact CG-CB 4.25Å; F269-F292 HydrophobicContact CZ-CB 4.22Å; F292-E294 PolarHBondContact O-N 2.94Å; F292-V295 WeakPolarHBondContact O-CB 3.43Å; F292-V295 PolarHBondContact O-N 3.42Å; F292-E296 HydrophobicContact CE1-CB 4.01Å; F292-E296 HydrophobicContact CE1-CG 4.43Å; F292-E296 HydrophobicContact CZ-CB 4.32Å; F292-E296 PolarHBondContact O-N 3.26Å
293K93.5Very high92.2Very high121 Ų12171.2 Ų71.253%0.52638%0.376SS..Hα-helixtrans-60.1-37.7179.6-170.2178.2176.6-174.90111.8D291 V295 E296 D297D291-K293 PolarHBondContact O-N 2.86Å; D291-K293 PolarHBondContact OD1-N 3.3Å; K293-V295 VanDerWaalsContact C-N 3.33Å; K293-V295 PolarHBondContact O-N 3.09Å; K293-E296 PolarHBondContact O-N 2.65Å; K293-D297 WeakPolarHBondContact O-CB 3.24Å; K293-D297 VanDerWaalsContact O-CG 3.26Å; K293-D297 PolarHBondContact O-N 3.11Å
294E94.5Very high92.7Very high85 Ų8563 Ų6340%0.39735%0.345SS..Hα-helixtrans-65.8-35.7175.4-66.6-179.7-178.300112.4Y289 D291 F292 D298Y289-E294 HydrophobicContact CD1-CB 3.7Å; Y289-E294 HydrophobicContact CE1-CB 4.16Å; D291-E294 HydrophobicContact CB-CG 4.25Å; D291-E294 PolarHBondContact O-N 3.47Å; F292-E294 PolarHBondContact O-N 2.94Å; E294-D298 VanDerWaalsContact O-CB 3.26Å; E294-D298 WeakPolarHBondContact O-CB 3.43Å; E294-D298 PolarHBondContact O-N 3.12Å
295V94Very high93.4Very high0 Ų065.4 Ų65.40%034%0.338CS..Hα-helixtrans-65.8-43.3173.5178.60000110.5L261 F269 F275 I277 Y289 F292 K293 F299 I304L261-V295 HydrophobicContact CD2-CG1 4.1Å; F269-V295 HydrophobicContact CE2-CB 4.47Å; F269-V295 HydrophobicContact CE2-CG2 3.76Å; F269-V295 HydrophobicContact CZ-CG2 3.71Å; F275-V295 HydrophobicContact CD1-CG2 4.28Å; I277-V295 HydrophobicContact CD1-CG1 4.41Å; Y289-V295 VanDerWaalsContact CB-CG2 3.43Å; Y289-V295 HydrophobicContact CD1-CB 4.43Å; Y289-V295 HydrophobicContact CD1-CG2 3.51Å; Y289-V295 HydrophobicContact CD2-CG2 3.7Å; Y289-V295 HydrophobicContact CE1-CG2 4.09Å; Y289-V295 HydrophobicContact CE2-CG2 4.3Å; Y289-V295 HydrophobicContact CG-CG2 3.27Å; F292-V295 WeakPolarHBondContact O-CB 3.43Å; F292-V295 PolarHBondContact O-N 3.42Å; K293-V295 VanDerWaalsContact C-N 3.33Å; K293-V295 PolarHBondContact O-N 3.09Å; V295-F299 VanDerWaalsContact O-CB 3.25Å; V295-F299 WeakPolarHBondContact O-CB 3.38Å; V295-F299 PolarHBondContact O-N 3.47Å; V295-I304 HydrophobicContact CG1-CD1 4.17Å
296E94.2Very high93.7Very high48 Ų4865.1 Ų65.122%0.22433%0.333CS..Hα-helixtrans-65.1-45179.1-168.5-176.8-108.400111.5T255 F292 K293 F299 R300T255-E296 HydrophobicContact CG2-CG 3.63Å; F292-E296 HydrophobicContact CE1-CB 4.01Å; F292-E296 HydrophobicContact CE1-CG 4.43Å; F292-E296 HydrophobicContact CZ-CB 4.32Å; F292-E296 PolarHBondContact O-N 3.26Å; K293-E296 PolarHBondContact O-N 2.65Å; E296-F299 PolarHBondContact O-N 3.4Å; E296-R300 VanDerWaalsContact CD-NH2 3.25Å; E296-R300 VanDerWaalsContact O-CB 3.27Å; E296-R300 WeakPolarHBondContact O-CB 3.24Å; E296-R300 PolarHBondContact O-N 2.9Å; E296-R300 IonicContact OE2-CZ 3.41Å; E296-R300 IonicContact OE2-NH2 2.86Å; E296-R300 PolarHBondContact OE2-NH2 2.83Å
297D95.2Very high93.8Very high67 Ų6761.4 Ų61.436%0.35832%0.321SS..Hα-helixtrans-66.5-43.9179-71.1-19.3000111.5K293 F299 R300 G301K293-D297 WeakPolarHBondContact O-CB 3.24Å; K293-D297 VanDerWaalsContact O-CG 3.26Å; K293-D297 PolarHBondContact O-N 3.11Å; D297-F299 VanDerWaalsContact C-N 3.34Å; D297-F299 PolarHBondContact O-N 3.4Å; D297-R300 PolarHBondContact O-N 3.12Å; D297-R300 IonicContact OD1-CZ 3.64Å; D297-R300 IonicContact OD1-NH1 3.57Å; D297-R300 PolarHBondContact OD1-NH1 3.36Å; D297-G301 PolarHBondContact O-N 3.43Å
298D94.8Very high93.8Very high35 Ų3559.8 Ų59.819%0.18732%0.316CS..Hα-helixtrans-66.2-35.1175.3-83.22.3000111.9K287 Y289 E294 E302 M303 I304K287-D298 IonicContact NZ-OD1 2.7Å; K287-D298 IonicContact NZ-OD2 3.3Å; K287-D298 PolarHBondContact NZ-OD2 2.84Å; Y289-D298 HydrophobicContact CE1-CB 4.31Å; Y289-D298 WeakPolarHBondContact CE1-OD2 3.4Å; Y289-D298 VanDerWaalsContact CZ-OD2 3.29Å; Y289-D298 PolarHBondContact OH-OD2 3.01Å; E294-D298 VanDerWaalsContact O-CB 3.26Å; E294-D298 WeakPolarHBondContact O-CB 3.43Å; E294-D298 PolarHBondContact O-N 3.12Å; D298-E302 PolarHBondContact O-N 2.93Å; D298-M303 HydrophobicContact CB-CB 4.15Å; D298-M303 WeakPolarHBondContact O-CA 3.35Å; D298-M303 WeakPolarHBondContact O-CB 3.42Å; D298-M303 PolarHBondContact O-N 3.26Å; D298-I304 HydrophobicContact CB-CD1 3.56Å; D298-I304 HydrophobicContact CB-CG1 3.94Å; D298-I304 PolarHBondContact O-N 2.88Å
299F95.2Very high93.7Very high0 Ų056.1 Ų56.10%029%0.294CS..Hα-helixtrans-71-42176.1-171.3-91.9000111.3E251 G253 N254 T255 N258 L261 V295 E296 D297 G301 E302 I304 P306 L309E251-F299 VanDerWaalsContact O-CE1 3.31Å; E251-F299 WeakPolarHBondContact O-CE1 3.48Å; E251-F299 VanDerWaalsContact O-CZ 3.25Å; E251-F299 WeakPolarHBondContact O-CZ 3.48Å; G253-F299 WeakPolarHBondContact CA-O 3.39Å; G253-F299 PolarHBondContact N-O 3Å; N254-F299 VanDerWaalsContact O-CE1 3.31Å; N254-F299 WeakPolarHBondContact O-CE1 3.44Å; T255-F299 HydrophobicContact CG2-CD1 4.29Å; N258-F299 WeakPolarHBondContact ND2-CE1 3.3Å; L261-F299 HydrophobicContact CD1-CB 4.41Å; L261-F299 HydrophobicContact CD1-CD1 3.57Å; L261-F299 HydrophobicContact CD1-CE1 3.99Å; L261-F299 HydrophobicContact CD1-CG 3.99Å; L261-F299 HydrophobicContact CD2-CB 4.33Å; L261-F299 HydrophobicContact CD2-CG 4.25Å; L261-F299 HydrophobicContact CG-CD1 4.41Å; L261-F299 HydrophobicContact CG-CG 4.48Å; V295-F299 VanDerWaalsContact O-CB 3.25Å; V295-F299 WeakPolarHBondContact O-CB 3.38Å; V295-F299 PolarHBondContact O-N 3.47Å; E296-F299 PolarHBondContact O-N 3.4Å; D297-F299 VanDerWaalsContact C-N 3.34Å; D297-F299 PolarHBondContact O-N 3.4Å; F299-G301 VanDerWaalsContact C-N 3.31Å; F299-G301 PolarHBondContact O-N 3.41Å; F299-E302 PolarHBondContact O-N 2.88Å; F299-I304 HydrophobicContact CB-CB 4.46Å; F299-I304 HydrophobicContact CB-CD1 4.26Å; F299-I304 HydrophobicContact CD2-CB 4.02Å; F299-I304 HydrophobicContact CD2-CG2 3.98Å; F299-P306 HydrophobicContact CE2-CG 4.18Å; F299-P306 HydrophobicContact CZ-CG 4.13Å; F299-L309 HydrophobicContact CD2-CD2 3.86Å; F299-L309 HydrophobicContact CE2-CB 4.47Å; F299-L309 HydrophobicContact CE2-CD2 3.68Å; F299-L309 HydrophobicContact CZ-CD2 4.38Å
300R95.3Very high93.7Very high106 Ų10657.8 Ų57.840%0.430%0.301SS..Hα-helixtrans-62.3-39175.4-168.8-178.5-61.7118.10.3111.8T255 E296 D297 E302T255-R300 HydrophobicContact CG2-CB 3.9Å; T255-R300 HydrophobicContact CG2-CG 4.43Å; E296-R300 VanDerWaalsContact CD-NH2 3.25Å; E296-R300 VanDerWaalsContact O-CB 3.27Å; E296-R300 WeakPolarHBondContact O-CB 3.24Å; E296-R300 PolarHBondContact O-N 2.9Å; E296-R300 IonicContact OE2-CZ 3.41Å; E296-R300 IonicContact OE2-NH2 2.86Å; E296-R300 PolarHBondContact OE2-NH2 2.83Å; D297-R300 PolarHBondContact O-N 3.12Å; D297-R300 IonicContact OD1-CZ 3.64Å; D297-R300 IonicContact OD1-NH1 3.57Å; D297-R300 PolarHBondContact OD1-NH1 3.36Å; R300-E302 PolarHBondContact O-N 2.91Å
301G94.7Very high93.7Very high49 Ų4954.9 Ų54.951%0.50529%0.287SS..THydrogen-bonded Turntrans-77.38.1173.600000114.5D297 F299 M303D297-G301 PolarHBondContact O-N 3.43Å; F299-G301 VanDerWaalsContact C-N 3.31Å; F299-G301 PolarHBondContact O-N 3.41Å; G301-M303 PolarHBondContact O-N 2.75Å; G301-M303 VanDerWaalsContact O-N 3.07Å
302E93.4Very high93.8Very high135 Ų13551.4 Ų51.463%0.63127%0.27SS*.THydrogen-bonded Turntrans57.619.4-179-60.2-177.2-144.300114.6P252 D298 F299 R300 I304P252-E302 HydrophobicContact CB-CG 4.46Å; D298-E302 PolarHBondContact O-N 2.93Å; F299-E302 PolarHBondContact O-N 2.88Å; R300-E302 PolarHBondContact O-N 2.91Å; E302-I304 VanDerWaalsContact C-N 3.25Å; E302-I304 PolarHBondContact O-N 3.26Å
303M91.2Very high93.8Very high121 Ų12150.2 Ų50.260%0.59626%0.264SS*.  trans-77.1-14.5175.1-60.4-61.1-6500112.5R279 D298 G301R279-M303 PolarHBondContact NH1-O 3.48Å; D298-M303 HydrophobicContact CB-CB 4.15Å; D298-M303 WeakPolarHBondContact O-CA 3.35Å; D298-M303 WeakPolarHBondContact O-CB 3.42Å; D298-M303 PolarHBondContact O-N 3.26Å; G301-M303 PolarHBondContact O-N 2.75Å; G301-M303 VanDerWaalsContact O-N 3.07Å
304I93.1Very high93.9Very high2 Ų246.2 Ų46.21%0.0125%0.247CC..SBendtrans-115.9115.2172.1-61.6160.5000108.1I277 V295 D298 F299 E302 L309I277-I304 HydrophobicContact CD1-CD1 3.42Å; I277-I304 VanDerWaalsContact CD1-CD1 3.42Å; I277-I304 HydrophobicContact CD1-CG1 3.81Å; I277-I304 HydrophobicContact CD1-CG2 3.86Å; I277-I304 HydrophobicContact CG2-CG2 4.5Å; V295-I304 HydrophobicContact CG1-CD1 4.17Å; D298-I304 HydrophobicContact CB-CD1 3.56Å; D298-I304 HydrophobicContact CB-CG1 3.94Å; D298-I304 PolarHBondContact O-N 2.88Å; F299-I304 HydrophobicContact CB-CB 4.46Å; F299-I304 HydrophobicContact CB-CD1 4.26Å; F299-I304 HydrophobicContact CD2-CB 4.02Å; F299-I304 HydrophobicContact CD2-CG2 3.98Å; E302-I304 VanDerWaalsContact C-N 3.25Å; E302-I304 PolarHBondContact O-N 3.26Å; I304-L309 HydrophobicContact CG2-CB 3.94Å
305H93.5Very high93.8Very high118 Ų11845.5 Ų45.555%0.54625%0.249SC..  trans-71.9140173.8-176.4-101.1000110.6G307 D308 L309H305-G307 PolarHBondContact ND1-N 3.38Å; H305-G307 VanDerWaalsContact ND1-N 3.11Å; H305-G307 PolarHBondContact O-N 2.86Å; H305-G307 VanDerWaalsContact O-N 3.08Å; H305-D308 PolarHBondContact O-N 3.49Å; H305-L309 PolarHBondContact O-N 3.47Å; H305-L309 VanDerWaalsContact O-N 3.14Å
306P93.4Very high93.8Very high9 Ų945.8 Ų45.86%0.05825%0.251CS..Hα-helixtrans-53.6-32.4178.6-31.637.2000115.1C250 P252 F299 K310C250-P306 HydrophobicContact CB-CB 4.19Å; C250-P306 VanDerWaalsContact O-CB 3.27Å; C250-P306 WeakPolarHBondContact O-CB 3.36Å; C250-P306 WeakPolarHBondContact O-CG 3.42Å; P252-P306 HydrophobicContact CB-CG 4.17Å; P252-P306 HydrophobicContact CG-CG 3.78Å; F299-P306 HydrophobicContact CE2-CG 4.18Å; F299-P306 HydrophobicContact CZ-CG 4.13Å; P306-K310 WeakPolarHBondContact O-CB 3.38Å; P306-K310 VanDerWaalsContact O-CG 3.23Å; P306-K310 WeakPolarHBondContact O-CG 3.38Å; P306-K310 PolarHBondContact O-N 3.06Å
307G93.2Very high93.8Very high32 Ų3243.5 Ų43.533%0.3324%0.24SC..Hα-helixtrans-63.6-41175.700000113H305 A311H305-G307 PolarHBondContact ND1-N 3.38Å; H305-G307 VanDerWaalsContact ND1-N 3.11Å; H305-G307 PolarHBondContact O-N 2.86Å; H305-G307 VanDerWaalsContact O-N 3.08Å; G307-A311 WeakPolarHBondContact O-CB 3.35Å; G307-A311 PolarHBondContact O-N 3.32Å
308D93Very high93.8Very high42 Ų4241 Ų4123%0.22523%0.227CC..Hα-helixtrans-73.3-39.2-179-60.6-23.1000110.6I277 H305 A311 S312I277-D308 HydrophobicContact CG2-CB 4.3Å; H305-D308 PolarHBondContact O-N 3.49Å; D308-A311 PolarHBondContact O-N 3.34Å; D308-S312 WeakPolarHBondContact O-CB 3.46Å; D308-S312 PolarHBondContact O-N 2.79Å; D308-S312 PolarHBondContact O-OG 3.34Å
309L93.8Very high93.8Very high0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-59.2-50.9172.7-176.565.5000110.9V260 L261 V264 F275 I277 F299 I304 H305 A311 S312 V313V260-L309 HydrophobicContact CB-CD2 4.25Å; V260-L309 HydrophobicContact CG1-CD2 3.82Å; V260-L309 HydrophobicContact CG1-CG 3.76Å; L261-L309 HydrophobicContact CD2-CD1 4.31Å; L261-L309 HydrophobicContact CD2-CD2 3.68Å; L261-L309 HydrophobicContact CG-CD2 3.88Å; V264-L309 HydrophobicContact CG2-CD1 4.3Å; F275-L309 HydrophobicContact CE1-CD1 3.87Å; F275-L309 HydrophobicContact CZ-CD1 4.25Å; I277-L309 HydrophobicContact CD1-CD1 4.33Å; F299-L309 HydrophobicContact CD2-CD2 3.86Å; F299-L309 HydrophobicContact CE2-CB 4.47Å; F299-L309 HydrophobicContact CE2-CD2 3.68Å; F299-L309 HydrophobicContact CZ-CD2 4.38Å; I304-L309 HydrophobicContact CG2-CB 3.94Å; H305-L309 PolarHBondContact O-N 3.47Å; H305-L309 VanDerWaalsContact O-N 3.14Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-A311 PolarHBondContact O-N 3.32Å; L309-S312 PolarHBondContact O-N 3.07Å; L309-V313 WeakPolarHBondContact O-CG2 3.36Å; L309-V313 PolarHBondContact O-N 3.03Å
310K93.7Very high93.7Very high34 Ų3445.6 Ų45.615%0.14825%0.248CC..Hα-helixtrans-60.8-42177.9-72.3173.7-167.1-170.70112.2L245 K246 A248 V260 P306 S312 V313 E314L245-K310 WeakPolarHBondContact O-CD 3.29Å; K246-K310 PolarHBondContact O-NZ 2.89Å; A248-K310 WeakPolarHBondContact O-CE 3.5Å; A248-K310 PolarHBondContact O-NZ 3.3Å; V260-K310 HydrophobicContact CG1-CG 4.45Å; V260-K310 HydrophobicContact CG2-CG 4.28Å; P306-K310 WeakPolarHBondContact O-CB 3.38Å; P306-K310 VanDerWaalsContact O-CG 3.23Å; P306-K310 WeakPolarHBondContact O-CG 3.38Å; P306-K310 PolarHBondContact O-N 3.06Å; K310-S312 VanDerWaalsContact C-N 3.33Å; K310-V313 PolarHBondContact O-N 3.42Å; K310-E314 WeakPolarHBondContact O-CB 3.33Å; K310-E314 PolarHBondContact O-N 3.25Å
311A93.4Very high93.7Very high44 Ų4440.5 Ų40.536%0.36423%0.229SC..Hα-helixtrans-64.9-38.7178.300000111.8G307 D308 L309 E314 V315G307-A311 WeakPolarHBondContact O-CB 3.35Å; G307-A311 PolarHBondContact O-N 3.32Å; D308-A311 PolarHBondContact O-N 3.34Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-A311 PolarHBondContact O-N 3.32Å; A311-E314 WeakPolarHBondContact O-CB 3.39Å; A311-E314 PolarHBondContact O-N 3.43Å; A311-V315 WeakPolarHBondContact O-CG2 3.42Å; A311-V315 PolarHBondContact O-N 2.93Å; A311-V315 VanDerWaalsContact O-N 3.14Å
312S93.8Very high93.8Very high6 Ų641.8 Ų41.84%0.04222%0.221CC..Hα-helixtrans-68.8-41.6177.5-55.50000111.4S276 I277 K278 D308 L309 K310 V315 A316S276-S312 WeakPolarHBondContact O-CB 3.19Å; I277-S312 WeakPolarHBondContact CA-OG 3.29Å; K278-S312 PolarHBondContact N-OG 3.07Å; K278-S312 VanDerWaalsContact N-OG 3.12Å; D308-S312 WeakPolarHBondContact O-CB 3.46Å; D308-S312 PolarHBondContact O-N 2.79Å; D308-S312 PolarHBondContact O-OG 3.34Å; L309-S312 PolarHBondContact O-N 3.07Å; K310-S312 VanDerWaalsContact C-N 3.33Å; S312-V315 PolarHBondContact O-N 3.05Å; S312-A316 PolarHBondContact O-N 2.95Å; S312-A316 VanDerWaalsContact O-N 3.16Å
313V93.9Very high94Very high0 Ų038.3 Ų38.30%021%0.21CC..Hα-helixtrans-63.5-39.9171.6172.40000111.8L218 L245 V260 F263 V264 L268 F275 L309 K310 V315 A316 L317L218-V313 HydrophobicContact CD1-CG1 4.32Å; L245-V313 HydrophobicContact CD1-CG1 4.47Å; L245-V313 HydrophobicContact CD2-CG1 4.31Å; V260-V313 HydrophobicContact CG1-CB 4.29Å; V260-V313 HydrophobicContact CG1-CG2 3.74Å; F263-V313 HydrophobicContact CD1-CG1 4.06Å; V264-V313 HydrophobicContact CG2-CG2 3.42Å; V264-V313 VanDerWaalsContact CG2-CG2 3.42Å; L268-V313 HydrophobicContact CD1-CG1 4.42Å; L268-V313 HydrophobicContact CD1-CG2 4.1Å; F275-V313 HydrophobicContact CE2-CG2 4.34Å; F275-V313 HydrophobicContact CZ-CG2 3.93Å; L309-V313 WeakPolarHBondContact O-CG2 3.36Å; L309-V313 PolarHBondContact O-N 3.03Å; K310-V313 PolarHBondContact O-N 3.42Å; V313-V315 VanDerWaalsContact C-N 3.31Å; V313-V315 PolarHBondContact O-N 3.45Å; V313-A316 PolarHBondContact O-N 2.83Å; V313-L317 WeakPolarHBondContact O-CB 3.37Å; V313-L317 PolarHBondContact O-N 3.08Å
314E94.4Very high94.2Very high37 Ų3732.5 Ų32.517%0.17318%0.182CC..Hα-helixtrans-56.8-45175.8-179.7-170.6152.800111.3V241 K242 L245 K310 A311 N318V241-E314 HydrophobicContact CG1-CG 4.47Å; K242-E314 WeakPolarHBondContact CB-OE1 3.35Å; K242-E314 WeakPolarHBondContact CD-OE1 3.4Å; K242-E314 WeakPolarHBondContact CG-OE2 3.4Å; L245-E314 HydrophobicContact CD1-CB 3.66Å; L245-E314 HydrophobicContact CD1-CG 4.25Å; K310-E314 WeakPolarHBondContact O-CB 3.33Å; K310-E314 PolarHBondContact O-N 3.25Å; A311-E314 WeakPolarHBondContact O-CB 3.39Å; A311-E314 PolarHBondContact O-N 3.43Å; E314-N318 WeakPolarHBondContact O-CB 3.07Å; E314-N318 PolarHBondContact O-N 3.13Å; E314-N318 PolarHBondContact O-ND2 2.94Å
315V93.6Very high94.4Very high70 Ų7033.4 Ų33.442%0.42419%0.185SC..Hα-helixtrans-64-52.6179.3173.10000110.7A311 S312 V313 L317 N318 Q319A311-V315 WeakPolarHBondContact O-CG2 3.42Å; A311-V315 PolarHBondContact O-N 2.93Å; A311-V315 VanDerWaalsContact O-N 3.14Å; S312-V315 PolarHBondContact O-N 3.05Å; V313-V315 VanDerWaalsContact C-N 3.31Å; V313-V315 PolarHBondContact O-N 3.45Å; V315-L317 PolarHBondContact O-N 3.25Å; V315-N318 PolarHBondContact O-N 3.34Å; V315-Q319 WeakPolarHBondContact O-CG 3.46Å; V315-Q319 PolarHBondContact O-N 2.93Å; V315-Q319 VanDerWaalsContact O-N 3.11Å
316A93.3Very high94.5Very high6 Ų635 Ų355%0.0519%0.191CC..Hα-helixtrans-64.4-41.5-178.400000112.2L268 S312 V313 N318 Q319 L320L268-A316 HydrophobicContact CD1-CB 3.76Å; L268-A316 HydrophobicContact CD2-CB 3.86Å; L268-A316 HydrophobicContact CG-CB 4.42Å; S312-A316 PolarHBondContact O-N 2.95Å; S312-A316 VanDerWaalsContact O-N 3.16Å; V313-A316 PolarHBondContact O-N 2.83Å; A316-N318 PolarHBondContact O-N 3.34Å; A316-Q319 WeakPolarHBondContact O-CB 3.14Å; A316-Q319 PolarHBondContact O-N 2.74Å; A316-L320 PolarHBondContact O-N 3.45Å; A316-L320 VanDerWaalsContact O-N 3.16Å
317L93.7Very high94.6Very high0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-63.1-43.6176.6178.958.7000111.3V50 F53 L218 I232 V241 L245 F263 V313 V315 Q319 L320 L321V50-L317 HydrophobicContact CB-CD1 4.36Å; V50-L317 HydrophobicContact CG1-CD1 3.87Å; V50-L317 HydrophobicContact CG1-CD2 4.25Å; F53-L317 HydrophobicContact CE2-CD1 4.49Å; L218-L317 HydrophobicContact CD2-CD2 3.93Å; I232-L317 HydrophobicContact CD1-CD2 4.24Å; I232-L317 HydrophobicContact CG2-CD2 4.45Å; V241-L317 HydrophobicContact CG1-CD2 3.92Å; V241-L317 HydrophobicContact CG1-CG 4.49Å; L245-L317 HydrophobicContact CD1-CD2 4.41Å; F263-L317 HydrophobicContact CE1-CD1 4.09Å; F263-L317 HydrophobicContact CZ-CD1 3.81Å; V313-L317 WeakPolarHBondContact O-CB 3.37Å; V313-L317 PolarHBondContact O-N 3.08Å; V315-L317 PolarHBondContact O-N 3.25Å; L317-Q319 VanDerWaalsContact C-N 3.27Å; L317-Q319 PolarHBondContact O-N 2.87Å; L317-L320 WeakPolarHBondContact O-CB 3.28Å; L317-L320 PolarHBondContact O-N 3.39Å; L317-L320 VanDerWaalsContact O-N 3.12Å; L317-L321 HydrophobicContact CD1-CD1 4.06Å; L317-L321 HydrophobicContact CD1-CD2 4.42Å; L317-L321 HydrophobicContact CD1-CG 3.99Å; L317-L321 HydrophobicContact CG-CD1 3.93Å; L317-L321 HydrophobicContact CG-CG 4.25Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 3.43Å
318N95.3Very high94.7Very high16 Ų1636.1 Ų36.19%0.08619%0.186CC..Hα-helixtrans-65.1-31.3177.5-82.2-60.3000112.7E314 V315 A316 L320 L321 E322 R325E314-N318 WeakPolarHBondContact O-CB 3.07Å; E314-N318 PolarHBondContact O-N 3.13Å; E314-N318 PolarHBondContact O-ND2 2.94Å; V315-N318 PolarHBondContact O-N 3.34Å; A316-N318 PolarHBondContact O-N 3.34Å; N318-L320 VanDerWaalsContact C-N 3.34Å; N318-L321 PolarHBondContact O-N 2.53Å; N318-E322 WeakPolarHBondContact O-CB 3.4Å; N318-E322 PolarHBondContact O-N 2.72Å; N318-R325 PolarHBondContact OD1-NH1 2.87Å; N318-R325 PolarHBondContact OD1-NH2 2.95Å
319Q94.1Very high94.8Very high116 Ų11639 Ų3954%0.54220%0.198SC..Hα-helixtrans-63.8-39.1171.8-70.1171.2-13.600111.8V315 A316 L317 P323V315-Q319 WeakPolarHBondContact O-CG 3.46Å; V315-Q319 PolarHBondContact O-N 2.93Å; V315-Q319 VanDerWaalsContact O-N 3.11Å; A316-Q319 WeakPolarHBondContact O-CB 3.14Å; A316-Q319 PolarHBondContact O-N 2.74Å; L317-Q319 VanDerWaalsContact C-N 3.27Å; L317-Q319 PolarHBondContact O-N 2.87Å; Q319-P323 VanDerWaalsContact O-CD 3.24Å; Q319-P323 WeakPolarHBondContact O-CD 3.13Å
320L94.1Very high94.8Very high14 Ų1440.8 Ų40.87%0.07321%0.21CC..Hα-helixtrans-70.9-32.6174.1-67.8177.5000113.2F53 S107 V267 L268 L271 A316 L317 N318 I324F53-L320 HydrophobicContact CE1-CB 4.4Å; F53-L320 HydrophobicContact CE1-CD1 4.49Å; F53-L320 HydrophobicContact CZ-CB 4.01Å; S107-L320 PolarHBondContact OG-O 3.05Å; V267-L320 HydrophobicContact CG1-CD1 4.24Å; L268-L320 HydrophobicContact CD2-CD1 3.85Å; L271-L320 HydrophobicContact CD1-CD1 3.99Å; L271-L320 HydrophobicContact CD1-CD2 4.17Å; A316-L320 PolarHBondContact O-N 3.45Å; A316-L320 VanDerWaalsContact O-N 3.16Å; L317-L320 WeakPolarHBondContact O-CB 3.28Å; L317-L320 PolarHBondContact O-N 3.39Å; L317-L320 VanDerWaalsContact O-N 3.12Å; N318-L320 VanDerWaalsContact C-N 3.34Å; L320-I324 WeakPolarHBondContact O-CD1 3.19Å
321L95.9Very high94.8Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-84-25.3-178.3-65-177.8000113.2V50 F53 L234 V241 L317 N318 I324 R325V50-L321 HydrophobicContact CG1-CD1 4.3Å; V50-L321 HydrophobicContact CG1-CD2 4.34Å; F53-L321 HydrophobicContact CE2-CD2 3.79Å; F53-L321 HydrophobicContact CZ-CD2 4.2Å; L234-L321 HydrophobicContact CB-CD2 4.46Å; L234-L321 HydrophobicContact CD2-CD2 3.92Å; V241-L321 HydrophobicContact CG2-CD1 3.88Å; L317-L321 HydrophobicContact CD1-CD1 4.06Å; L317-L321 HydrophobicContact CD1-CD2 4.42Å; L317-L321 HydrophobicContact CD1-CG 3.99Å; L317-L321 HydrophobicContact CG-CD1 3.93Å; L317-L321 HydrophobicContact CG-CG 4.25Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 3.43Å; N318-L321 PolarHBondContact O-N 2.53Å; L321-I324 HydrophobicContact CD2-CD1 4.27Å; L321-I324 PolarHBondContact O-N 3.36Å; L321-R325 WeakPolarHBondContact O-CB 2.81Å; L321-R325 VanDerWaalsContact O-CG 3.29Å; L321-R325 WeakPolarHBondContact O-CG 2.87Å; L321-R325 PolarHBondContact O-N 2.8Å
322E96.3Very high94.9Very high75 Ų7548.1 Ų48.135%0.3525%0.246SC..Hα-helixtrans-57.9-48.7-175.5-169.671.7-14100113.5K238 N318 I324 R325 K326K238-E322 WeakPolarHBondContact CE-OE2 3.39Å; K238-E322 IonicContact NZ-OE2 2.68Å; K238-E322 PolarHBondContact NZ-OE2 3.06Å; N318-E322 WeakPolarHBondContact O-CB 3.4Å; N318-E322 PolarHBondContact O-N 2.72Å; E322-I324 VanDerWaalsContact C-N 3.29Å; E322-I324 PolarHBondContact O-N 3.35Å; E322-R325 PolarHBondContact O-N 3.18Å; E322-K326 WeakPolarHBondContact O-CB 3.31Å; E322-K326 PolarHBondContact O-N 2.88Å
323P96.4Very high94.9Very high62 Ų6248.7 Ų48.740%0.40325%0.248SC..Hα-helixtrans-63.9-36.7178.3-21.535.2000112.3S107 Q319 K326 K327S107-P323 WeakPolarHBondContact OG-CG 3.33Å; Q319-P323 VanDerWaalsContact O-CD 3.24Å; Q319-P323 WeakPolarHBondContact O-CD 3.13Å; P323-K326 PolarHBondContact O-N 2.79Å; P323-K327 WeakPolarHBondContact O-CB 3.23Å; P323-K327 PolarHBondContact O-N 2.94Å
324I97.1Very high94.9Very high0 Ų055.1 Ų55.10%027%0.273CS..Hα-helixtrans-65-52.7178.5-55.2173.8000109.7F53 V100 A103 M104 L235 L320 L321 E322 K326 K327 F328F53-I324 HydrophobicContact CE1-CD1 4.45Å; F53-I324 HydrophobicContact CZ-CD1 3.69Å; V100-I324 HydrophobicContact CG2-CG2 4.47Å; A103-I324 HydrophobicContact CB-CB 4.42Å; A103-I324 HydrophobicContact CB-CG1 4.15Å; A103-I324 HydrophobicContact CB-CG2 4.09Å; M104-I324 HydrophobicContact CB-CD1 4.38Å; M104-I324 HydrophobicContact CG-CD1 3.71Å; L235-I324 HydrophobicContact CD2-CG2 4.04Å; L320-I324 WeakPolarHBondContact O-CD1 3.19Å; L321-I324 HydrophobicContact CD2-CD1 4.27Å; L321-I324 PolarHBondContact O-N 3.36Å; E322-I324 VanDerWaalsContact C-N 3.29Å; E322-I324 PolarHBondContact O-N 3.35Å; I324-K326 VanDerWaalsContact C-N 3.3Å; I324-K326 PolarHBondContact O-N 3.13Å; I324-K327 PolarHBondContact O-N 2.93Å; I324-F328 HydrophobicContact CG2-CD2 4.07Å; I324-F328 HydrophobicContact CG2-CE2 4.29Å; I324-F328 WeakPolarHBondContact O-CD2 3.27Å; I324-F328 PolarHBondContact O-N 3.26Å
325R96.5Very high94.8Very high21 Ų2161.1 Ų61.18%0.07930%0.298CS..Hα-helixtrans-54.4-47.7176.1-71.4167.5-178.3157.3-2.2110.8D236 S237 N318 L321 E322 K327 F328 Q329D236-R325 PolarHBondContact O-NE 2.9Å; D236-R325 PolarHBondContact O-NH2 2.89Å; S237-R325 PolarHBondContact O-NH2 3.11Å; N318-R325 PolarHBondContact OD1-NH1 2.87Å; N318-R325 PolarHBondContact OD1-NH2 2.95Å; L321-R325 WeakPolarHBondContact O-CB 2.81Å; L321-R325 VanDerWaalsContact O-CG 3.29Å; L321-R325 WeakPolarHBondContact O-CG 2.87Å; L321-R325 PolarHBondContact O-N 2.8Å; E322-R325 PolarHBondContact O-N 3.18Å; R325-K327 PolarHBondContact O-N 3.44Å; R325-F328 CarbonylContact O-C 3.54Å; R325-F328 PolarHBondContact O-N 2.95Å; R325-Q329 VanDerWaalsContact O-CG 3.3Å; R325-Q329 WeakPolarHBondContact O-CG 3.12Å; R325-Q329 PolarHBondContact O-N 3.3Å; R325-Q329 VanDerWaalsContact O-N 3.09Å
326K95.9Very high94.8Very high152 Ų15259 Ų5966%0.66128%0.284SS*.Hα-helixtrans-59.5-44.1179.4-173.1177.6179.5-179.10112E322 P323 I324 Q329E322-K326 WeakPolarHBondContact O-CB 3.31Å; E322-K326 PolarHBondContact O-N 2.88Å; P323-K326 PolarHBondContact O-N 2.79Å; I324-K326 VanDerWaalsContact C-N 3.3Å; I324-K326 PolarHBondContact O-N 3.13Å; K326-Q329 WeakPolarHBondContact O-CB 3.35Å; K326-Q329 PolarHBondContact O-N 3.24Å
327K95.7Very high94.8Very high55 Ų5559.6 Ų59.624%0.23929%0.287CS..Hα-helixtrans-61.9-45.8177.1-169.6172.3-177.1174.80111.5A103 E106 P323 I324 R325 Q329 S330 L333A103-K327 HydrophobicContact CB-CD 3.87Å; E106-K327 IonicContact OE1-NZ 3.93Å; E106-K327 PolarHBondContact OE1-NZ 3.04Å; E106-K327 VanDerWaalsContact OE1-NZ 3.08Å; E106-K327 IonicContact OE2-NZ 3.41Å; E106-K327 PolarHBondContact OE2-NZ 3.24Å; P323-K327 WeakPolarHBondContact O-CB 3.23Å; P323-K327 PolarHBondContact O-N 2.94Å; I324-K327 PolarHBondContact O-N 2.93Å; R325-K327 PolarHBondContact O-N 3.44Å; K327-Q329 PolarHBondContact O-N 3.43Å; K327-S330 PolarHBondContact O-N 3.25Å; K327-S330 PolarHBondContact O-OG 2.93Å; K327-L333 HydrophobicContact CG-CD1 3.85Å; K327-L333 WeakPolarHBondContact O-CD1 3.02Å
328F95.8Very high94.7Very high9 Ų964.7 Ų64.74%0.03932%0.315CS..THydrogen-bonded Turntrans-75.30.3-180-82.2-101.4000114.6Y96 Q99 V100 A103 L235 I324 R325 S330 L333 R334Y96-F328 AromaticContact CD2-CE1 3.99Å; Y96-F328 HydrophobicContact CD2-CE1 3.99Å; Y96-F328 HydrophobicContact CE2-CD1 4.3Å; Y96-F328 AromaticContact CE2-CE1 3.64Å; Y96-F328 HydrophobicContact CE2-CE1 3.64Å; Y96-F328 HydrophobicContact CE2-CZ 4.49Å; Q99-F328 HydrophobicContact CB-CZ 3.96Å; V100-F328 HydrophobicContact CB-CE2 4.18Å; V100-F328 HydrophobicContact CB-CZ 3.7Å; V100-F328 HydrophobicContact CG2-CE2 4.2Å; V100-F328 HydrophobicContact CG2-CZ 4.05Å; A103-F328 HydrophobicContact CB-CE2 4.04Å; L235-F328 HydrophobicContact CD1-CB 4.23Å; L235-F328 HydrophobicContact CD1-CD1 3.87Å; L235-F328 HydrophobicContact CD1-CG 4.2Å; L235-F328 HydrophobicContact CD2-CB 3.64Å; L235-F328 HydrophobicContact CD2-CD1 4.19Å; L235-F328 HydrophobicContact CD2-CD2 4.1Å; L235-F328 HydrophobicContact CD2-CG 3.71Å; I324-F328 HydrophobicContact CG2-CD2 4.07Å; I324-F328 HydrophobicContact CG2-CE2 4.29Å; I324-F328 WeakPolarHBondContact O-CD2 3.27Å; I324-F328 PolarHBondContact O-N 3.26Å; R325-F328 CarbonylContact O-C 3.54Å; R325-F328 PolarHBondContact O-N 2.95Å; F328-S330 VanDerWaalsContact C-N 3.34Å; F328-L333 HydrophobicContact CD1-CB 4.13Å; F328-L333 HydrophobicContact CD2-CD1 4.37Å; F328-L333 HydrophobicContact CG-CB 4.44Å; F328-L333 HydrophobicContact CG-CD1 4.43Å; F328-R334 WeakPolarHBondContact O-CG 2.9Å
329Q93.4Very high94.5Very high102 Ų10265.9 Ų65.948%0.47733%0.326SS..THydrogen-bonded Turntrans-79.9-14.4168.7-73.816910.700113.3R325 K326 K327 R334R325-Q329 VanDerWaalsContact O-CG 3.3Å; R325-Q329 WeakPolarHBondContact O-CG 3.12Å; R325-Q329 PolarHBondContact O-N 3.3Å; R325-Q329 VanDerWaalsContact O-N 3.09Å; K326-Q329 WeakPolarHBondContact O-CB 3.35Å; K326-Q329 PolarHBondContact O-N 3.24Å; K327-Q329 PolarHBondContact O-N 3.43Å; Q329-R334 WeakPolarHBondContact O-CD 3.36Å; Q329-R334 VanDerWaalsContact O-CZ 3.24Å; Q329-R334 PolarHBondContact O-NE 3.13Å
330S95.1Very high94.4Very high38 Ų3860.3 Ų60.327%0.26630%0.3SS..SBendtrans-58.6142.7175.4550000111.7K327 F328 E332 L333 R334K327-S330 PolarHBondContact O-N 3.25Å; K327-S330 PolarHBondContact O-OG 2.93Å; F328-S330 VanDerWaalsContact C-N 3.34Å; S330-E332 PolarHBondContact O-N 3.44Å; S330-L333 PolarHBondContact O-N 3.38Å; S330-L333 WeakPolarHBondContact OG-CB 3.37Å; S330-L333 WeakPolarHBondContact OG-CG 3.47Å; S330-R334 WeakPolarHBondContact O-CB 3.28Å; S330-R334 WeakPolarHBondContact O-CG 3.28Å; S330-R334 PolarHBondContact O-N 3.08Å
331P93.1Very high94.1Very high96 Ų9661.6 Ų61.662%0.62330%0.304SS*.Hα-helixtrans-53.8-39.2-179.4-26.835.1000113.5K335P331-K335 WeakPolarHBondContact O-CB 3.46Å; P331-K335 PolarHBondContact O-N 2.95Å
332E94.9Very high93.5Very high135 Ų13564.4 Ų64.463%0.63132%0.323SS*.Hα-helixtrans-64.7-49.1-178.8-61.273.5-158.200111.3S330 K335 L336S330-E332 PolarHBondContact O-N 3.44Å; E332-K335 PolarHBondContact O-N 2.58Å; E332-L336 WeakPolarHBondContact O-CB 3.32Å; E332-L336 PolarHBondContact O-N 3.22Å
333L94.2Very high91.9Very high19 Ų1964.5 Ų64.510%0.09933%0.326CS..Hα-helixtrans-75.4-29.9-178.4-64.8-177.6000112.6Q99 K327 F328 S330 L336 T337Q99-L333 HydrophobicContact CB-CD2 4.01Å; Q99-L333 HydrophobicContact CG-CD2 3.72Å; K327-L333 HydrophobicContact CG-CD1 3.85Å; K327-L333 WeakPolarHBondContact O-CD1 3.02Å; F328-L333 HydrophobicContact CD1-CB 4.13Å; F328-L333 HydrophobicContact CD2-CD1 4.37Å; F328-L333 HydrophobicContact CG-CB 4.44Å; F328-L333 HydrophobicContact CG-CD1 4.43Å; S330-L333 PolarHBondContact O-N 3.38Å; S330-L333 WeakPolarHBondContact OG-CB 3.37Å; S330-L333 WeakPolarHBondContact OG-CG 3.47Å; L333-L336 HydrophobicContact CD2-CD2 4.06Å; L333-L336 PolarHBondContact O-N 2.97Å; L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 3.14Å; L333-T337 PolarHBondContact O-OG1 2.96Å
334R93Very high89.6Confident135 Ų13567.5 Ų67.551%0.50935%0.345SS..Hα-helixtrans-61.6-46.6168.5-74.7-177.3172.2168.84.7111.4F328 Q329 S330 T337 N338F328-R334 WeakPolarHBondContact O-CG 2.9Å; Q329-R334 WeakPolarHBondContact O-CD 3.36Å; Q329-R334 VanDerWaalsContact O-CZ 3.24Å; Q329-R334 PolarHBondContact O-NE 3.13Å; S330-R334 WeakPolarHBondContact O-CB 3.28Å; S330-R334 WeakPolarHBondContact O-CG 3.28Å; S330-R334 PolarHBondContact O-N 3.08Å; R334-T337 PolarHBondContact O-N 3.47Å; R334-N338 PolarHBondContact O-N 3.01Å; R334-N338 PolarHBondContact O-ND2 2.93Å
335K93.6Very high86.6Confident163 Ų16371.7 Ų71.771%0.70937%0.374SS*.Hα-helixtrans-62-44.8177.1-173.6180179.5-177.90111P331 E332 T337 N338 A339P331-K335 WeakPolarHBondContact O-CB 3.46Å; P331-K335 PolarHBondContact O-N 2.95Å; E332-K335 PolarHBondContact O-N 2.58Å; K335-T337 PolarHBondContact O-N 2.71Å; K335-N338 PolarHBondContact O-N 3.45Å; K335-A339 VanDerWaalsContact O-CB 3.29Å; K335-A339 WeakPolarHBondContact O-CB 3.07Å; K335-A339 PolarHBondContact O-N 3.27Å
336L94.1Very high83.5Confident26 Ų2678.7 Ų78.714%0.13641%0.405CS..Hα-helixtrans-59.4-45.8176178.461000111.8L92 K95 Q99 E332 L333 N338 A339 A340L92-L336 HydrophobicContact CD2-CD1 4.05Å; K95-L336 HydrophobicContact CB-CD1 3.97Å; K95-L336 HydrophobicContact CB-CD2 4.13Å; Q99-L336 HydrophobicContact CG-CD2 4.29Å; E332-L336 WeakPolarHBondContact O-CB 3.32Å; E332-L336 PolarHBondContact O-N 3.22Å; L333-L336 HydrophobicContact CD2-CD2 4.06Å; L333-L336 PolarHBondContact O-N 2.97Å; L336-N338 PolarHBondContact O-N 3.01Å; L336-A339 PolarHBondContact O-N 3.48Å; L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.45Å; L336-A340 PolarHBondContact O-N 2.96Å
337T93.6Very high80.5Confident17 Ų1776.4 Ų76.410%0.10440%0.404CS..Hα-helixtrans-59.7-49.3180-58.50000111.3Y96 L235 L333 R334 K335 A339 A340 Y341Y96-T337 HydrophobicContact CD2-CG2 4.47Å; Y96-T337 HydrophobicContact CE2-CG2 3.82Å; Y96-T337 WeakPolarHBondContact CE2-OG1 3.34Å; L235-T337 HydrophobicContact CD1-CG2 4.1Å; L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 3.14Å; L333-T337 PolarHBondContact O-OG1 2.96Å; R334-T337 PolarHBondContact O-N 3.47Å; K335-T337 PolarHBondContact O-N 2.71Å; T337-A339 VanDerWaalsContact C-N 3.29Å; T337-A339 PolarHBondContact O-N 3.37Å; T337-A340 PolarHBondContact O-N 2.88Å; T337-Y341 PolarHBondContact O-N 3.25Å
338N91.4Very high77.4Confident108 Ų10883.4 Ų83.458%0.57844%0.435SS*.Hα-helixtrans-66.7-29.7178.6-66.8-21.1000112.7R334 K335 L336 Y341 P342R334-N338 PolarHBondContact O-N 3.01Å; R334-N338 PolarHBondContact O-ND2 2.93Å; K335-N338 PolarHBondContact O-N 3.45Å; L336-N338 PolarHBondContact O-N 3.01Å; N338-Y341 CarbonylContact O-C 3.6Å; N338-P342 WeakPolarHBondContact O-CA 3.45Å
339A91.3Very high74.3Confident40 Ų4087.9 Ų87.933%0.33147%0.474SS..Hα-helixtrans-79.3-37.8177.600000112.5L89 L92 K335 L336 T337L89-A339 WeakPolarHBondContact CD1-O 3.16Å; L92-A339 HydrophobicContact CD1-CB 3.97Å; L92-A339 HydrophobicContact CD2-CB 4.37Å; K335-A339 VanDerWaalsContact O-CB 3.29Å; K335-A339 WeakPolarHBondContact O-CB 3.07Å; K335-A339 PolarHBondContact O-N 3.27Å; L336-A339 PolarHBondContact O-N 3.48Å; T337-A339 VanDerWaalsContact C-N 3.29Å; T337-A339 PolarHBondContact O-N 3.37Å
340A90.4Very high71.1Confident0 Ų087.1 Ų87.10%049%0.493CS..Hα-helixtrans-75.1-31.2179.100000112.8L89 L92 R93 Y96 L336 T337L89-A340 WeakPolarHBondContact CD1-O 3.38Å; L92-A340 HydrophobicContact CB-CB 4.1Å; R93-A340 HydrophobicContact CG-CB 4.1Å; R93-A340 PolarHBondContact NE-O 3.5Å; R93-A340 VanDerWaalsContact NE-O 3.15Å; Y96-A340 HydrophobicContact CG-CB 4.47Å; L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.45Å; L336-A340 PolarHBondContact O-N 2.96Å; T337-A340 PolarHBondContact O-N 2.88Å
341Y89.4Confident68Low40 Ų4089.2 Ų89.216%0.15752%0.52CS..SBendtrans-134.573.9176.9-55.5-80.7000109.5G46 K47 R93 Y96 Y97 T337 N338 D343G46-Y341 PolarHBondContact O-OH 3.48Å; K47-Y341 HydrophobicContact CB-CD1 4.05Å; K47-Y341 HydrophobicContact CB-CE1 3.84Å; K47-Y341 HydrophobicContact CB-CE2 4.32Å; K47-Y341 HydrophobicContact CB-CG 4.37Å; K47-Y341 HydrophobicContact CD-CD2 4.19Å; K47-Y341 HydrophobicContact CD-CG 4.27Å; K47-Y341 HydrophobicContact CG-CD2 4.16Å; K47-Y341 HydrophobicContact CG-CE1 4.46Å; K47-Y341 HydrophobicContact CG-CE2 4.05Å; K47-Y341 HydrophobicContact CG-CG 4.41Å; R93-Y341 HydrophobicContact CG-CE1 4.26Å; R93-Y341 HydrophobicContact CG-CE2 4.45Å; Y96-Y341 AromaticContact CD1-CE2 3.54Å; Y96-Y341 HydrophobicContact CD1-CE2 3.54Å; Y96-Y341 HydrophobicContact CD2-CD2 4.43Å; Y96-Y341 HydrophobicContact CD2-CE2 4.15Å; Y96-Y341 AromaticContact CE1-CE2 3.81Å; Y96-Y341 HydrophobicContact CE1-CE2 3.81Å; Y96-Y341 HydrophobicContact CE2-CD2 4.49Å; Y96-Y341 HydrophobicContact CE2-CE2 4.36Å; Y96-Y341 HydrophobicContact CG-CD2 4.43Å; Y96-Y341 AromaticContact CG-CE2 3.73Å; Y96-Y341 HydrophobicContact CG-CE2 3.73Å; Y97-Y341 WeakPolarHBondContact CE2-OH 3.23Å; T337-Y341 PolarHBondContact O-N 3.25Å; N338-Y341 CarbonylContact O-C 3.6Å; Y341-D343 PolarHBondContact O-N 2.98Å
342P81.4Confident65Low59 Ų5995 Ų9538%0.38354%0.536SS..  trans-61.7124.4178.124.3-31.4000109.7N338 P344 T347N338-P342 WeakPolarHBondContact O-CA 3.45Å; P342-P344 WeakPolarHBondContact O-CD 3.44Å; P342-T347 HydrophobicContact CB-CG2 4.02Å
343D63.6Low61.7Low78 Ų7892 Ų9242%0.41754%0.541SS..  trans-59123.2173-169.8-28.9000108.1Y341 S345 K346Y341-D343 PolarHBondContact O-N 2.98Å; D343-S345 PolarHBondContact O-N 2.75Å; D343-S345 WeakPolarHBondContact OD1-CB 3.25Å; D343-S345 PolarHBondContact OD1-N 3.22Å; D343-S345 VanDerWaalsContact OD1-N 3.07Å; D343-S345 PolarHBondContact OD1-OG 3.43Å; D343-S345 PolarHBondContact OD2-OG 3.06Å; D343-K346 HydrophobicContact CB-CB 4.4Å; D343-K346 PolarHBondContact O-N 2.86Å
344P47.6Very low58.5Low125 Ų12595.5 Ų95.581%0.81257%0.573SS**THydrogen-bonded Turntrans-55.1-19.5179.2-18.525.6000113P342P342-P344 WeakPolarHBondContact O-CD 3.44Å
345S35.4Very low55.6Low87 Ų8798.4 Ų98.461%0.60859%0.589SS**THydrogen-bonded Turntrans-82.6-14.5178700000115.1D343D343-S345 PolarHBondContact O-N 2.75Å; D343-S345 WeakPolarHBondContact OD1-CB 3.25Å; D343-S345 PolarHBondContact OD1-N 3.22Å; D343-S345 VanDerWaalsContact OD1-N 3.07Å; D343-S345 PolarHBondContact OD1-OG 3.43Å; D343-S345 PolarHBondContact OD2-OG 3.06Å
346K31.1Very low52.5Low168 Ų16897 Ų9773%0.7359%0.594SS**THydrogen-bonded Turntrans-120-0.7-170-73.4-175.4-178.9171.80116.3D343 K348D343-K346 HydrophobicContact CB-CB 4.4Å; D343-K346 PolarHBondContact O-N 2.86Å; K346-K348 PolarHBondContact O-N 2.98Å
347T32.6Very low49.5Very low104 Ų104100.6 Ų100.664%0.63863%0.628SS**  trans-78.161.7170.124.70000111.8P342P342-T347 HydrophobicContact CB-CG2 4.02Å
348K31Very low46.3Very low202 Ų202103.8 Ų103.888%0.87867%0.665SS**  trans-128.569.6160.9-80.5-168.8178.5-177.30109K346K346-K348 PolarHBondContact O-N 2.98Å
349A30.2Very low43.3Very low104 Ų104102 Ų10286%0.8667%0.671SS**SBendtrans-178.4113.5154.100000111
350G26.8Very low40.4Very low85 Ų85103 Ų10388%0.87669%0.686SS**  trans114.3105.7150.600000117.2
351G29.2Very low37.5Very low82 Ų82106.3 Ų106.385%0.84572%0.72SS**  trans112.494.3136.800000118.1
352K29.2Very low34.8Very low217 Ų217107.4 Ų107.494%0.94374%0.744SS**  trans-38145.6162.3-68.2169.1171.4177.30115.9
353G26.6Very low32.7Very low73 Ų73108.3 Ų108.375%0.75375%0.745SS**  trans147.1105139.500000118.2
354A27.9Very low31.8Very low93 Ų93108.6 Ų108.677%0.76975%0.746SS**  trans65.4108.1152.100000119.7
355K30.7Very low31.8Very low196 Ų196108.6 Ų108.685%0.85274%0.74SS**  69.6132.3110.7-73.3-169.6-179.1-177.50113.6
356T29.5Very low33.1Very low132 Ų132109.4 Ų109.481%0.8173%0.734SS**  cis-176.1138.424.411.30000105
357A29.5Very low35.4Very low103 Ų103104.3 Ų104.385%0.85171%0.714SS**  trans-147.9111.4170.200000110.4
358G26.7Very low38.2Very low84 Ų8499.8 Ų99.887%0.86669%0.688SS**  trans-87.9146.6134.700000106.4
359G29.3Very low41.1Very low70 Ų7090.5 Ų90.572%0.72265%0.648SS**  cis166.3107.44.100000103.5
360G29.2Very low44.1Very low62 Ų6286.4 Ų86.464%0.63961%0.613SS**  trans-143.9126.6-175.300000110.4
361G30.7Very low47.3Very low68 Ų6883.2 Ų83.270%0.70157%0.574SS**  trans-63.5156.5-17700000114.5
362G31.8Very low50.5Low64 Ų6479.5 Ų79.566%0.6654%0.535SS*.  trans-66.3142.1-164.500000116.6
363D38Very low53.8Low78 Ų7870 Ų7042%0.41749%0.494SS..  trans-113.4140.8165.9-167.15.4000108.1K154 N365K154-D363 IonicContact NZ-OD2 3.41Å; K154-D363 PolarHBondContact NZ-OD2 3.42Å; D363-N365 PolarHBondContact O-N 2.91Å
364D43.8Very low57.2Low83 Ų8366.9 Ų66.944%0.44446%0.461SS..THydrogen-bonded Turntrans-75.518.3-158.1-156.411000115R371D364-R371 PolarHBondContact O-NH1 2.84Å; D364-R371 IonicContact OD1-CZ 3Å; D364-R371 VanDerWaalsContact OD1-CZ 3.24Å; D364-R371 IonicContact OD1-NE 2.66Å; D364-R371 IonicContact OD1-NH1 2.89Å; D364-R371 IonicContact OD1-NH2 3.57Å; D364-R371 PolarHBondContact OD1-NH2 2.83Å
365N48.5Very low60.5Low125 Ų12565 Ų6567%0.66843%0.433SS*.THydrogen-bonded Turntrans-124.10.7-171.9-135.616.8000114.6D363D363-N365 PolarHBondContact O-N 2.91Å
366E62.4Low63.7Low105 Ų10555.7 Ų55.749%0.49139%0.393SS..SBendtrans-98132.3168.5-164.6169.2166.200109A368 R371E366-A368 HydrophobicContact CG-CB 4.46Å; E366-A368 PolarHBondContact O-N 3.09Å; E366-R371 VanDerWaalsContact O-CD 3.28Å; E366-R371 WeakPolarHBondContact O-CD 3.26Å
367L80.1Confident67Low61 Ų6149.5 Ų49.532%0.31936%0.355SS..  trans-7872.8173-162.298000108.6V491 K494 L495L367-V491 HydrophobicContact CD1-CG1 4.35Å; L367-K494 HydrophobicContact CD1-CB 3.72Å; L367-K494 HydrophobicContact CD1-CD 3.72Å; L367-K494 HydrophobicContact CD1-CG 4.41Å; L367-K494 HydrophobicContact CD2-CB 3.56Å; L367-K494 HydrophobicContact CG-CB 4.26Å; L367-L495 HydrophobicContact CD1-CG 4.42Å; L367-L495 HydrophobicContact CD2-CD2 3.7Å; L367-L495 HydrophobicContact CD2-CG 3.98Å; L367-L495 HydrophobicContact CG-CD2 3.69Å; L367-L495 HydrophobicContact CG-CG 3.85Å
368A90.1Very high70.2Confident9 Ų948.5 Ų48.57%0.07433%0.332CS..  trans-99.7142.8-178.700000111.1E366 S370 R371 Y476 L495E366-A368 HydrophobicContact CG-CB 4.46Å; E366-A368 PolarHBondContact O-N 3.09Å; A368-S370 PolarHBondContact O-N 3.35Å; A368-R371 WeakPolarHBondContact O-CB 3.48Å; A368-R371 WeakPolarHBondContact O-CG 3.37Å; A368-R371 PolarHBondContact O-N 3.45Å; A368-Y476 HydrophobicContact CB-CD1 4.19Å; A368-Y476 HydrophobicContact CB-CE1 4.14Å; A368-L495 WeakPolarHBondContact O-CD1 3.13Å
369P92.7Very high73.6Confident6 Ų644.5 Ų44.54%0.03929%0.291CS..G310 helixtrans-65.2-23.4-179.529.2-36.9000112.3R371 L372 V473 Y476 W509P369-R371 PolarHBondContact O-N 3.39Å; P369-R371 VanDerWaalsContact O-N 3.08Å; P369-L372 WeakPolarHBondContact O-CB 3.48Å; P369-L372 PolarHBondContact O-N 2.92Å; P369-V473 HydrophobicContact CB-CB 4.15Å; P369-V473 HydrophobicContact CB-CG2 3.61Å; P369-V473 HydrophobicContact CG-CB 3.78Å; P369-V473 HydrophobicContact CG-CG1 3.99Å; P369-V473 HydrophobicContact CG-CG2 3.83Å; P369-Y476 HydrophobicContact CG-CD1 4.18Å; P369-Y476 HydrophobicContact CG-CD2 3.79Å; P369-Y476 HydrophobicContact CG-CE2 4.18Å; P369-Y476 HydrophobicContact CG-CG 3.79Å; P369-W509 HydrophobicContact CB-CD2 3.85Å; P369-W509 HydrophobicContact CB-CE3 4.18Å; P369-W509 HydrophobicContact CB-CG 4.03Å; P369-W509 HydrophobicContact CG-CD2 3.82Å; P369-W509 HydrophobicContact CG-CE3 3.6Å; P369-W509 HydrophobicContact CG-CG 4.41Å; P369-W509 HydrophobicContact CG-CH2 4.3Å; P369-W509 HydrophobicContact CG-CZ3 3.86Å
370S93.8Very high76.9Confident18 Ų1844.5 Ų44.513%0.12628%0.277CS..G310 helixtrans-60.6-18.5176.762.50000113.9A368 L372 R470 K480 A481A368-S370 PolarHBondContact O-N 3.35Å; S370-L372 PolarHBondContact O-N 3.48Å; S370-R470 PolarHBondContact O-NH2 2.95Å; S370-K480 CarbonylContact O-C 3.55Å; S370-K480 VanDerWaalsContact O-C 3.25Å; S370-K480 VanDerWaalsContact O-O 3.08Å; S370-A481 WeakPolarHBondContact O-CA 3.26Å; S370-A481 PolarHBondContact O-N 2.76Å
371R94.3Very high80.1Confident19 Ų1943.1 Ų43.17%0.07226%0.257CS..G310 helixtrans-68.7-22.1175-66.1-175.863.8165.25.1113.1D364 E366 A368 P369 N429 D482D364-R371 PolarHBondContact O-NH1 2.84Å; D364-R371 IonicContact OD1-CZ 3Å; D364-R371 VanDerWaalsContact OD1-CZ 3.24Å; D364-R371 IonicContact OD1-NE 2.66Å; D364-R371 IonicContact OD1-NH1 2.89Å; D364-R371 IonicContact OD1-NH2 3.57Å; D364-R371 PolarHBondContact OD1-NH2 2.83Å; E366-R371 VanDerWaalsContact O-CD 3.28Å; E366-R371 WeakPolarHBondContact O-CD 3.26Å; A368-R371 WeakPolarHBondContact O-CB 3.48Å; A368-R371 WeakPolarHBondContact O-CG 3.37Å; A368-R371 PolarHBondContact O-N 3.45Å; P369-R371 PolarHBondContact O-N 3.39Å; P369-R371 VanDerWaalsContact O-N 3.08Å; R371-N429 PolarHBondContact O-ND2 3.04Å; R371-D482 WeakPolarHBondContact CB-OD1 3.27Å; R371-D482 WeakPolarHBondContact CG-OD1 3.34Å; R371-D482 IonicContact CZ-OD1 3.65Å; R371-D482 IonicContact CZ-OD2 2.68Å; R371-D482 VanDerWaalsContact CZ-OD2 3.29Å; R371-D482 IonicContact NE-OD1 2.91Å; R371-D482 PolarHBondContact NE-OD1 2.85Å; R371-D482 IonicContact NE-OD2 2.89Å; R371-D482 PolarHBondContact NE-OD2 3.29Å; R371-D482 IonicContact NH2-OD1 3.73Å; R371-D482 IonicContact NH2-OD2 3.24Å; R371-D482 PolarHBondContact NH2-OD2 3.04Å; R371-D482 PolarHBondContact O-N 3.19Å
372L96Very high83.2Confident4 Ų440.1 Ų40.12%0.02123%0.225CC..SBendtrans-77.8130.8176.1-55.8178.9000109.4P369 S370 I374 L427 L485 W492 L495 L499P369-L372 WeakPolarHBondContact O-CB 3.48Å; P369-L372 PolarHBondContact O-N 2.92Å; S370-L372 PolarHBondContact O-N 3.48Å; L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 HydrophobicContact CB-CD1 4.12Å; L372-I374 HydrophobicContact CB-CG1 3.89Å; L372-I374 HydrophobicContact CD1-CD1 4.09Å; L372-I374 PolarHBondContact O-N 3.35Å; L372-L427 HydrophobicContact CB-CD1 3.88Å; L372-L427 HydrophobicContact CD2-CD1 4.22Å; L372-L485 HydrophobicContact CD2-CD1 3.75Å; L372-L485 HydrophobicContact CD2-CD2 4.47Å; L372-W492 HydrophobicContact CD1-CE3 3.93Å; L372-W492 HydrophobicContact CD1-CZ3 3.84Å; L372-W492 HydrophobicContact CD2-CE3 3.91Å; L372-L495 HydrophobicContact CD1-CB 4.15Å; L372-L495 HydrophobicContact CD1-CD1 4.05Å; L372-L495 HydrophobicContact CD2-CD1 3.8Å; L372-L495 HydrophobicContact CG-CD1 3.72Å; L372-L499 HydrophobicContact CD1-CD1 4.45Å
373D97.4Very high86.3Confident17 Ų1742.3 Ų42.39%0.09122%0.218CC..  trans-90.474.5171.3-170.815.2000108.9R375 C428 N429 A481D373-R375 WeakPolarHBondContact OD1-CG 3.47Å; D373-R375 IonicContact OD1-CZ 3.52Å; D373-R375 IonicContact OD1-NE 3.27Å; D373-R375 PolarHBondContact OD1-NE 3.01Å; D373-R375 IonicContact OD1-NH2 3.45Å; D373-R375 IonicContact OD2-CZ 3.9Å; D373-R375 VanDerWaalsContact OD2-CZ 3.31Å; D373-R375 IonicContact OD2-NE 3.12Å; D373-R375 PolarHBondContact OD2-NE 3.16Å; D373-R375 IonicContact OD2-NH2 3.31Å; D373-R375 PolarHBondContact OD2-NH2 3.38Å; D373-C428 HydrophobicContact CB-CB 4.38Å; D373-C428 PolarHBondContact O-N 3.14Å; D373-N429 HydrophobicContact CB-CB 3.7Å; D373-N429 PolarHBondContact N-ND2 2.84Å; D373-N429 PolarHBondContact N-OD1 2.81Å; D373-A481 HydrophobicContact CB-CB 3.76Å
374I98.1Very high89Confident8 Ų845 Ų454%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-89.1124.7175-55.5173.6000107.9L372 L425 V426 L427 L445 V471L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 HydrophobicContact CB-CD1 4.12Å; L372-I374 HydrophobicContact CB-CG1 3.89Å; L372-I374 HydrophobicContact CD1-CD1 4.09Å; L372-I374 PolarHBondContact O-N 3.35Å; I374-L425 HydrophobicContact CG2-CB 4.33Å; I374-V426 CarbonylContact C-O 3.58Å; I374-V426 WeakPolarHBondContact CA-O 3.23Å; I374-L427 HydrophobicContact CG1-CD1 3.95Å; I374-L445 HydrophobicContact CD1-CD1 3.87Å; I374-L445 HydrophobicContact CG1-CD1 4.05Å; I374-L445 HydrophobicContact CG2-CD1 3.79Å; I374-V471 HydrophobicContact CB-CB 4.07Å; I374-V471 HydrophobicContact CG2-CB 3.84Å; I374-V471 HydrophobicContact CG2-CG1 4.46Å; I374-V471 HydrophobicContact CG2-CG2 3.83Å; I374-V471 PolarHBondContact O-N 3.14Å
375R98.2Very high91.4Very high52 Ų5241.4 Ų41.420%0.19621%0.206CC..EExtended strand (participates in β ladder)trans-126.3154.3178.9-55.9-171.3-166.6166.95.4111.3D373 E400 V426 E469D373-R375 WeakPolarHBondContact OD1-CG 3.47Å; D373-R375 IonicContact OD1-CZ 3.52Å; D373-R375 IonicContact OD1-NE 3.27Å; D373-R375 PolarHBondContact OD1-NE 3.01Å; D373-R375 IonicContact OD1-NH2 3.45Å; D373-R375 IonicContact OD2-CZ 3.9Å; D373-R375 VanDerWaalsContact OD2-CZ 3.31Å; D373-R375 IonicContact OD2-NE 3.12Å; D373-R375 PolarHBondContact OD2-NE 3.16Å; D373-R375 IonicContact OD2-NH2 3.31Å; D373-R375 PolarHBondContact OD2-NH2 3.38Å; R375-E400 IonicContact CZ-OE1 2.79Å; R375-E400 IonicContact NH1-OE1 2.76Å; R375-E400 PolarHBondContact NH1-OE1 3.07Å; R375-E400 VanDerWaalsContact NH1-OE1 3.12Å; R375-V426 PolarHBondContact N-O 2.74Å; R375-V426 PolarHBondContact O-N 3.46Å; R375-E469 CarbonylContact C-O 3.59Å; R375-E469 VanDerWaalsContact CA-O 3.26Å; R375-E469 WeakPolarHBondContact CA-O 3.1Å
376V98.3Very high93.4Very high2 Ų240 Ų401%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-68126.2163177.50000107.8V424 L425 P461 G468 E469 V471 T516V376-V424 CarbonylContact C-O 3.47Å; V376-V424 WeakPolarHBondContact CA-O 3.22Å; V376-L425 HydrophobicContact CG2-CD1 3.93Å; V376-P461 HydrophobicContact CG1-CB 4.4Å; V376-P461 HydrophobicContact CG1-CG 4.06Å; V376-P461 HydrophobicContact CG2-CB 3.97Å; V376-P461 HydrophobicContact CG2-CG 4.48Å; V376-G468 PolarHBondContact O-N 3.46Å; V376-E469 HydrophobicContact CB-CB 4.28Å; V376-E469 HydrophobicContact CG2-CB 4.17Å; V376-E469 PolarHBondContact N-O 3.07Å; V376-V471 HydrophobicContact CG2-CG2 4.46Å; V376-T516 HydrophobicContact CG2-CG2 3.89Å
377G98.1Very high94.8Very high1 Ų140.7 Ų40.71%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-116.5149.9173.500000111.1D397 A423 V424G377-D397 CarbonylContact C-O 3.54Å; G377-D397 WeakPolarHBondContact CA-O 3.38Å; G377-A423 CarbonylContact O-C 3.54Å; G377-A423 WeakPolarHBondContact O-CA 3.44Å; G377-V424 PolarHBondContact N-O 3.25Å; G377-V424 PolarHBondContact O-N 3.38Å
378K97.9Very high95.4Very high83 Ų8338.4 Ų38.436%0.36120%0.201SC..EExtended strand (participates in β ladder)trans-110.3123.6167.3-178.8178.6179.6-166.80109.4V380 I396 D397 D421 P467K378-V380 WeakPolarHBondContact O-CG2 3.19Å; K378-V380 PolarHBondContact O-N 2.96Å; K378-I396 CarbonylContact O-C 3.44Å; K378-I396 WeakPolarHBondContact O-CA 3.38Å; K378-D397 PolarHBondContact N-O 3.04Å; K378-D397 PolarHBondContact O-N 2.97Å; K378-D421 WeakPolarHBondContact CE-OD1 3.43Å; K378-D421 IonicContact NZ-OD1 2.93Å; K378-D421 PolarHBondContact NZ-OD1 2.88Å; K378-P467 HydrophobicContact CB-CG 3.79Å
379I97.7Very high95.4Very high0 Ų045.6 Ų45.60%024%0.238CC..EExtended strand (participates in β ladder)trans-72.2117.3175.3-61.6-179.3000108.5V382 I396 L419 D421 R422 V424 L444I379-V382 HydrophobicContact CG2-CG2 3.25Å; I379-I396 HydrophobicContact CG1-CD1 4.19Å; I379-I396 HydrophobicContact CG1-CG1 4.18Å; I379-L419 VanDerWaalsContact CB-O 3.32Å; I379-L419 WeakPolarHBondContact CB-O 3.33Å; I379-L419 HydrophobicContact CD1-CB 4.12Å; I379-L419 HydrophobicContact CD1-CD2 4.05Å; I379-L419 WeakPolarHBondContact CD1-O 3.38Å; I379-L419 WeakPolarHBondContact CG2-O 3.25Å; I379-D421 WeakPolarHBondContact O-CA 3.18Å; I379-D421 PolarHBondContact O-N 2.88Å; I379-D421 VanDerWaalsContact O-N 3.07Å; I379-R422 PolarHBondContact N-O 2.85Å; I379-V424 HydrophobicContact CD1-CG1 3.78Å; I379-V424 HydrophobicContact CD1-CG2 4.16Å; I379-V424 HydrophobicContact CG1-CG1 4.25Å; I379-V424 HydrophobicContact CG1-CG2 3.89Å; I379-L444 HydrophobicContact CD1-CD1 4.12Å
380V97.3Very high95.4Very high70 Ų7048.9 Ų48.942%0.42426%0.261SS..EExtended strand (participates in β ladder)trans-93.4-35.6-177.4-160.90000110.8K378 K395 D397 P403 Q420K378-V380 WeakPolarHBondContact O-CG2 3.19Å; K378-V380 PolarHBondContact O-N 2.96Å; V380-K395 HydrophobicContact CB-CB 4.49Å; V380-K395 PolarHBondContact N-O 2.71Å; V380-D397 HydrophobicContact CG2-CB 3.86Å; V380-P403 HydrophobicContact CG2-CB 4.44Å; V380-P403 HydrophobicContact CG2-CG 4.31Å; V380-Q420 PolarHBondContact O-NE2 2.96Å
381S96.2Very high95.6Very high33 Ų3348.8 Ų48.823%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-148149.7171.569.40000111.1E394 K395S381-E394 VanDerWaalsContact O-CA 3.29Å; S381-E394 WeakPolarHBondContact O-CA 3.43Å; S381-K395 PolarHBondContact N-O 2.7Å; S381-K395 PolarHBondContact O-N 2.82Å; S381-K395 WeakPolarHBondContact OG-CB 3.39Å; S381-K395 WeakPolarHBondContact OG-CG 3.23Å
382V97.4Very high95.7Very high4 Ų448.3 Ų48.32%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-130.3128172.7-173.70000108.2I379 Y392 E394 Q416 L419I379-V382 HydrophobicContact CG2-CG2 3.25Å; V382-Y392 HydrophobicContact CG1-CD1 3.65Å; V382-Y392 HydrophobicContact CG1-CD2 4.38Å; V382-Y392 HydrophobicContact CG1-CE1 4.14Å; V382-Y392 HydrophobicContact CG1-CG 3.8Å; V382-E394 HydrophobicContact CG1-CG 4.23Å; V382-E394 HydrophobicContact CG2-CG 4.16Å; V382-Q416 HydrophobicContact CB-CG 3.89Å; V382-Q416 HydrophobicContact CG1-CG 3.83Å; V382-Q416 PolarHBondContact O-NE2 3.05Å; V382-L419 HydrophobicContact CG1-CD1 4.47Å; V382-L419 HydrophobicContact CG2-CB 3.81Å
383E95.6Very high95.8Very high111 Ų11149.5 Ų49.552%0.51926%0.264SS..EExtended strand (participates in β ladder)trans-129.8151.9174.6-66.3175.2-157.700109.5Y392 L393E383-Y392 CarbonylContact O-C 3.52Å; E383-Y392 WeakPolarHBondContact O-CA 3.42Å; E383-Y392 WeakPolarHBondContact O-CD1 3.43Å; E383-L393 PolarHBondContact N-O 3.05Å; E383-L393 PolarHBondContact O-N 2.94Å
384K94.9Very high95.8Very high134 Ų13448.7 Ų48.758%0.58326%0.26SS*.EExtended strand (participates in β ladder)trans-70.2138.9168.9-71.9-173.3178.2-176.80109.4Y392K384-Y392 HydrophobicContact CG-CD1 4.25Å; K384-Y392 HydrophobicContact CG-CE1 3.93Å
385H94.3Very high95.8Very high7 Ų752.2 Ų52.23%0.03228%0.275CS..  trans-63.2131.7177.1-170.7-71000110D387 A388 L391 M435 R436 I438H385-D387 VanDerWaalsContact C-N 3.26Å; H385-D387 PolarHBondContact ND1-N 2.96Å; H385-D387 PolarHBondContact O-N 3.18Å; H385-A388 HydrophobicContact CB-CB 4.23Å; H385-A388 PolarHBondContact ND1-N 3.02Å; H385-A388 PolarHBondContact O-N 2.87Å; H385-L391 HydrophobicContact CB-CB 3.72Å; H385-L391 WeakPolarHBondContact CB-O 3.38Å; H385-L391 PolarHBondContact N-O 3.18Å; H385-M435 PolarHBondContact NE2-O 2.83Å; H385-R436 PolarHBondContact CE1-O 2.86Å; H385-I438 WeakPolarHBondContact NE2-CD1 3.34Å
386P91.2Very high95.8Very high96 Ų9649.8 Ų49.862%0.62327%0.266SS*.THydrogen-bonded Turntrans-61.4-35.3-173.422.4-33.9000113I438P386-I438 HydrophobicContact CG-CD1 4.3Å
387D91.6Very high95.8Very high120 Ų12052.1 Ų52.164%0.64228%0.278SS*.THydrogen-bonded Turntrans-108.716.1-176.3-53.4-47.1000114.2H385H385-D387 VanDerWaalsContact C-N 3.26Å; H385-D387 PolarHBondContact ND1-N 2.96Å; H385-D387 PolarHBondContact O-N 3.18Å
388A92.2Very high95.7Very high13 Ų1352 Ų5211%0.10728%0.277CS..  trans-157.6117-179.600000114.8H385 S390 L391 R436H385-A388 HydrophobicContact CB-CB 4.23Å; H385-A388 PolarHBondContact ND1-N 3.02Å; H385-A388 PolarHBondContact O-N 2.87Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.45Å; A388-L391 HydrophobicContact CB-CB 4.08Å; A388-L391 HydrophobicContact CB-CD1 3.76Å; A388-L391 HydrophobicContact CB-CG 3.88Å; A388-L391 PolarHBondContact O-N 3.08Å; A388-R436 HydrophobicContact CB-CG 4.09Å
389D91.5Very high95.5Very high159 Ų15950.6 Ų50.685%0.8529%0.286SS*.THydrogen-bonded Turntrans-69-20.3-177.9-60.8-37.1000114.5V411D389-V411 WeakPolarHBondContact O-CG1 3.41Å
390S92.7Very high95.4Very high75 Ų7553.4 Ų53.452%0.52430%0.299SS..THydrogen-bonded Turntrans-93.3-2.1-178.768.50000113.7A388 G409 V411A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.45Å; S390-G409 CarbonylContact O-C 3.54Å; S390-G409 WeakPolarHBondContact O-CA 3.49Å; S390-V411 VanDerWaalsContact C-CG2 3.43Å
391L96.1Very high95.2Very high16 Ų1656.4 Ų56.48%0.08432%0.32CS..  trans-118.8139.6-171-57.4-179.3000112.2H385 A388 V407 S408 V411 M435 R436H385-L391 HydrophobicContact CB-CB 3.72Å; H385-L391 WeakPolarHBondContact CB-O 3.38Å; H385-L391 PolarHBondContact N-O 3.18Å; A388-L391 HydrophobicContact CB-CB 4.08Å; A388-L391 HydrophobicContact CB-CD1 3.76Å; A388-L391 HydrophobicContact CB-CG 3.88Å; A388-L391 PolarHBondContact O-N 3.08Å; L391-V407 HydrophobicContact CB-CG1 4.1Å; L391-V407 HydrophobicContact CD1-CG1 3.87Å; L391-V407 HydrophobicContact CG-CG1 4.4Å; L391-S408 CarbonylContact C-O 3.59Å; L391-S408 WeakPolarHBondContact CA-O 3.46Å; L391-V411 VanDerWaalsContact C-CG2 3.45Å; L391-M435 HydrophobicContact CD1-CB 4.49Å; L391-M435 HydrophobicContact CD1-CE 4.19Å; L391-M435 HydrophobicContact CD2-CE 3.91Å; L391-R436 HydrophobicContact CD1-CG 4.13Å
392Y97.7Very high95.1Very high9 Ų961.8 Ų61.84%0.03534%0.342CS..EExtended strand (participates in β ladder)trans-97.1155.6162.9-74.3-55.3000110.5V382 E383 K384 E394 V407 S408 L410 V411 V414 Q416 L419V382-Y392 HydrophobicContact CG1-CD1 3.65Å; V382-Y392 HydrophobicContact CG1-CD2 4.38Å; V382-Y392 HydrophobicContact CG1-CE1 4.14Å; V382-Y392 HydrophobicContact CG1-CG 3.8Å; E383-Y392 CarbonylContact O-C 3.52Å; E383-Y392 WeakPolarHBondContact O-CA 3.42Å; E383-Y392 WeakPolarHBondContact O-CD1 3.43Å; K384-Y392 HydrophobicContact CG-CD1 4.25Å; K384-Y392 HydrophobicContact CG-CE1 3.93Å; Y392-E394 WeakPolarHBondContact CB-OE1 3.45Å; Y392-V407 VanDerWaalsContact O-CA 3.32Å; Y392-V407 WeakPolarHBondContact O-CA 3.41Å; Y392-S408 PolarHBondContact N-O 3.11Å; Y392-S408 PolarHBondContact O-N 3.01Å; Y392-L410 HydrophobicContact CD2-CB 4.09Å; Y392-L410 HydrophobicContact CE2-CB 4.45Å; Y392-V411 HydrophobicContact CD1-CG2 3.89Å; Y392-V411 HydrophobicContact CD2-CG2 3.74Å; Y392-V411 HydrophobicContact CE1-CG2 3.87Å; Y392-V411 VanDerWaalsContact CE2-CA 3.42Å; Y392-V411 HydrophobicContact CE2-CB 4.1Å; Y392-V411 HydrophobicContact CE2-CG2 3.72Å; Y392-V411 HydrophobicContact CG-CG2 3.82Å; Y392-V414 WeakPolarHBondContact CE2-O 3.19Å; Y392-V414 PolarHBondContact OH-O 2.68Å; Y392-Q416 HydrophobicContact CE1-CB 4.2Å; Y392-Q416 PolarHBondContact OH-N 3.21Å; Y392-L419 HydrophobicContact CD2-CD1 3.72Å; Y392-L419 HydrophobicContact CE2-CD1 3.82Å
393L97.1Very high95.1Very high29 Ų2963.8 Ų63.815%0.15235%0.354CS..EExtended strand (participates in β ladder)trans-115109.9168.4179.665.2000107.4E383 T405 V407 I438E383-L393 PolarHBondContact N-O 3.05Å; E383-L393 PolarHBondContact O-N 2.94Å; L393-T405 HydrophobicContact CD1-CG2 3.42Å; L393-T405 VanDerWaalsContact CD1-CG2 3.42Å; L393-V407 HydrophobicContact CD1-CG2 4Å; L393-I438 HydrophobicContact CD1-CD1 4.28Å; L393-I438 HydrophobicContact CD1-CG2 3.79Å; L393-I438 HydrophobicContact CD2-CD1 4.06Å
394E98.2Very high95.2Very high1 Ų160.5 Ų60.51%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-109.7142.1-177.9-55.695.9158.500112.2S381 V382 Y392 I396 T405 V406 S408S381-E394 VanDerWaalsContact O-CA 3.29Å; S381-E394 WeakPolarHBondContact O-CA 3.43Å; V382-E394 HydrophobicContact CG1-CG 4.23Å; V382-E394 HydrophobicContact CG2-CG 4.16Å; Y392-E394 WeakPolarHBondContact CB-OE1 3.45Å; E394-I396 HydrophobicContact CB-CD1 4.21Å; E394-I396 HydrophobicContact CB-CG1 3.89Å; E394-T405 WeakPolarHBondContact O-CA 3.49Å; E394-V406 HydrophobicContact CB-CB 4.45Å; E394-V406 PolarHBondContact N-O 3.15Å; E394-V406 PolarHBondContact O-N 3.19Å; E394-S408 VanDerWaalsContact OE1-CB 3.22Å; E394-S408 WeakPolarHBondContact OE1-CB 3.41Å; E394-S408 PolarHBondContact OE1-OG 3.08Å; E394-S408 PolarHBondContact OE2-N 3.2Å
395K98.1Very high95.4Very high82 Ų8255 Ų5536%0.35732%0.315SS..EExtended strand (participates in β ladder)trans-99.9115.5161.3-67.4-63.5-172174.60108.4V380 S381 P403 R404 T405V380-K395 HydrophobicContact CB-CB 4.49Å; V380-K395 PolarHBondContact N-O 2.71Å; S381-K395 PolarHBondContact N-O 2.7Å; S381-K395 PolarHBondContact O-N 2.82Å; S381-K395 WeakPolarHBondContact OG-CB 3.39Å; S381-K395 WeakPolarHBondContact OG-CG 3.23Å; K395-P403 HydrophobicContact CB-CB 4.17Å; K395-R404 WeakPolarHBondContact CA-O 3.38Å; K395-T405 PolarHBondContact NZ-OG1 3.48Å
396I98.3Very high95.5Very high0 Ų054.8 Ų54.80%031%0.314CS..EExtended strand (participates in β ladder)trans-117.2119.1-176.4-44.6-171.1000110K378 I379 E394 V398 P403 R404 V406 V424 V426 L444K378-I396 CarbonylContact O-C 3.44Å; K378-I396 WeakPolarHBondContact O-CA 3.38Å; I379-I396 HydrophobicContact CG1-CD1 4.19Å; I379-I396 HydrophobicContact CG1-CG1 4.18Å; E394-I396 HydrophobicContact CB-CD1 4.21Å; E394-I396 HydrophobicContact CB-CG1 3.89Å; I396-V398 HydrophobicContact CG2-CG1 4.14Å; I396-V398 PolarHBondContact O-N 2.87Å; I396-P403 CarbonylContact O-C 3.49Å; I396-P403 WeakPolarHBondContact O-CA 3.39Å; I396-R404 PolarHBondContact N-O 3.04Å; I396-R404 PolarHBondContact O-N 2.83Å; I396-V406 HydrophobicContact CD1-CB 3.89Å; I396-V406 HydrophobicContact CD1-CG1 4.27Å; I396-V406 HydrophobicContact CD1-CG2 3.73Å; I396-V406 HydrophobicContact CG1-CB 4.27Å; I396-V406 HydrophobicContact CG1-CG2 4.02Å; I396-V424 HydrophobicContact CD1-CG2 4.36Å; I396-V424 HydrophobicContact CG2-CG2 4.29Å; I396-V426 HydrophobicContact CD1-CG2 4.13Å; I396-V426 HydrophobicContact CG2-CG2 4.09Å; I396-L444 HydrophobicContact CD1-CD1 4.21Å
397D97.7Very high95.8Very high51 Ų5150.6 Ų50.627%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-72.6119.11691777000109G377 K378 V380 G399 P467G377-D397 CarbonylContact C-O 3.54Å; G377-D397 WeakPolarHBondContact CA-O 3.38Å; K378-D397 PolarHBondContact N-O 3.04Å; K378-D397 PolarHBondContact O-N 2.97Å; V380-D397 HydrophobicContact CG2-CB 3.86Å; D397-G399 PolarHBondContact OD1-N 2.85Å; D397-P467 HydrophobicContact CB-CB 4.41Å
398V97.1Very high96Very high0 Ų045.4 Ų45.40%026%0.26CS..  trans-119.426.7179.1-63.40000111.7I396 E400 R404 V426 G468I396-V398 HydrophobicContact CG2-CG1 4.14Å; I396-V398 PolarHBondContact O-N 2.87Å; V398-E400 VanDerWaalsContact C-N 3.34Å; V398-E400 HydrophobicContact CG2-CB 4.3Å; V398-E400 HydrophobicContact CG2-CG 4.04Å; V398-R404 HydrophobicContact CG2-CG 3.95Å; V398-V426 HydrophobicContact CG1-CB 4.37Å; V398-G468 WeakPolarHBondContact O-CA 3.26Å
399G93.6Very high96.1Very high52 Ų5246.7 Ų46.754%0.53628%0.275SS..SBendtrans7325.6-178.200000113.8D397D397-G399 PolarHBondContact OD1-N 2.85Å
400E94.6Very high96.3Very high59 Ų5939.6 Ų39.628%0.27624%0.237SC..SBendtrans-105.8163.7175.7-73.7176.2-174.700110R375 V398 E402 R404R375-E400 IonicContact CZ-OE1 2.79Å; R375-E400 IonicContact NH1-OE1 2.76Å; R375-E400 PolarHBondContact NH1-OE1 3.07Å; R375-E400 VanDerWaalsContact NH1-OE1 3.12Å; V398-E400 VanDerWaalsContact C-N 3.34Å; V398-E400 HydrophobicContact CG2-CB 4.3Å; V398-E400 HydrophobicContact CG2-CG 4.04Å; E400-E402 PolarHBondContact O-N 3.24Å; E400-E402 VanDerWaalsContact O-N 3.13Å; E400-R404 IonicContact OE1-CZ 2.76Å; E400-R404 IonicContact OE1-NE 3.35Å; E400-R404 IonicContact OE1-NH2 3.77Å; E400-R404 PolarHBondContact OE1-NH2 3.18Å; E400-R404 IonicContact OE2-CZ 2.93Å; E400-R404 IonicContact OE2-NE 3.91Å; E400-R404 PolarHBondContact OE2-NE 2.78Å; E400-R404 IonicContact OE2-NH2 3.08Å; E400-R404 PolarHBondContact OE2-NH2 2.83Å
401P93.4Very high96.4Very high133 Ų13337.7 Ų37.786%0.86422%0.222SC*.SBendtrans-56.1-31.5-178.7-27.335.5000114.2
402E94.4Very high96.3Very high147 Ų14741 Ų4169%0.68725%0.251SS*.SBendtrans-129.7141.6178.9-66.9-64.1151.800110.3E400E400-E402 PolarHBondContact O-N 3.24Å; E400-E402 VanDerWaalsContact O-N 3.13Å
403P96.9Very high96.1Very high45 Ų4544.8 Ų44.829%0.29227%0.266SS..PPolyproline II helixtrans-60.3139.5173.7-23.733.9000112.2V380 K395 I396V380-P403 HydrophobicContact CG2-CB 4.44Å; V380-P403 HydrophobicContact CG2-CG 4.31Å; K395-P403 HydrophobicContact CB-CB 4.17Å; I396-P403 CarbonylContact O-C 3.49Å; I396-P403 WeakPolarHBondContact O-CA 3.39Å
404R97.9Very high95.9Very high42 Ų4244 Ų4416%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-77.5145.5175.6-70.3-168.9-178.7-162.411.5111.2K395 I396 V398 E400 C428 Q441K395-R404 WeakPolarHBondContact CA-O 3.38Å; I396-R404 PolarHBondContact N-O 3.04Å; I396-R404 PolarHBondContact O-N 2.83Å; V398-R404 HydrophobicContact CG2-CG 3.95Å; E400-R404 IonicContact OE1-CZ 2.76Å; E400-R404 IonicContact OE1-NE 3.35Å; E400-R404 IonicContact OE1-NH2 3.77Å; E400-R404 PolarHBondContact OE1-NH2 3.18Å; E400-R404 IonicContact OE2-CZ 2.93Å; E400-R404 IonicContact OE2-NE 3.91Å; E400-R404 PolarHBondContact OE2-NE 2.78Å; E400-R404 IonicContact OE2-NH2 3.08Å; E400-R404 PolarHBondContact OE2-NH2 2.83Å; R404-C428 PolarHBondContact NH1-O 3.38Å; R404-Q441 HydrophobicContact CB-CB 4.28Å; R404-Q441 PolarHBondContact NH1-O 2.84Å
405T97.9Very high95.8Very high20 Ų2046 Ų4612%0.12328%0.276CS..EExtended strand (participates in β ladder)trans-83.6122.4170.2-48.30000109L393 E394 K395 I438 Q441L393-T405 HydrophobicContact CD1-CG2 3.42Å; L393-T405 VanDerWaalsContact CD1-CG2 3.42Å; E394-T405 WeakPolarHBondContact O-CA 3.49Å; K395-T405 PolarHBondContact NZ-OG1 3.48Å; T405-I438 HydrophobicContact CG2-CG2 4.18Å; T405-Q441 WeakPolarHBondContact O-CB 3.4Å; T405-Q441 PolarHBondContact O-N 3.2Å
406V97.8Very high95.6Very high2 Ų245.3 Ų45.31%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-119.8142.6175.7-1800000108.5E394 I396 A442 L444E394-V406 HydrophobicContact CB-CB 4.45Å; E394-V406 PolarHBondContact N-O 3.15Å; E394-V406 PolarHBondContact O-N 3.19Å; I396-V406 HydrophobicContact CD1-CB 3.89Å; I396-V406 HydrophobicContact CD1-CG1 4.27Å; I396-V406 HydrophobicContact CD1-CG2 3.73Å; I396-V406 HydrophobicContact CG1-CB 4.27Å; I396-V406 HydrophobicContact CG1-CG2 4.02Å; V406-A442 HydrophobicContact CG2-CB 3.9Å; V406-L444 HydrophobicContact CG1-CB 4.31Å
407V97.2Very high95.4Very high8 Ų852.1 Ų52.15%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-119.4109.8173.8-176.50000108L391 Y392 L393 M435 I438 S440L391-V407 HydrophobicContact CB-CG1 4.1Å; L391-V407 HydrophobicContact CD1-CG1 3.87Å; L391-V407 HydrophobicContact CG-CG1 4.4Å; Y392-V407 VanDerWaalsContact O-CA 3.32Å; Y392-V407 WeakPolarHBondContact O-CA 3.41Å; L393-V407 HydrophobicContact CD1-CG2 4Å; V407-M435 HydrophobicContact CB-CB 4.26Å; V407-M435 HydrophobicContact CB-SD 4.1Å; V407-M435 HydrophobicContact CG1-CB 3.9Å; V407-M435 HydrophobicContact CG1-CE 4.27Å; V407-M435 HydrophobicContact CG1-SD 4.17Å; V407-I438 HydrophobicContact CG2-CB 4.29Å; V407-I438 HydrophobicContact CG2-CG2 4.03Å; V407-S440 PolarHBondContact N-OG 2.87Å
408S95.3Very high95.1Very high10 Ų1054.4 Ų54.47%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-112.3151.5-175.589.20000112.8L391 Y392 E394 L410L391-S408 CarbonylContact C-O 3.59Å; L391-S408 WeakPolarHBondContact CA-O 3.46Å; Y392-S408 PolarHBondContact N-O 3.11Å; Y392-S408 PolarHBondContact O-N 3.01Å; E394-S408 VanDerWaalsContact OE1-CB 3.22Å; E394-S408 WeakPolarHBondContact OE1-CB 3.41Å; E394-S408 PolarHBondContact OE1-OG 3.08Å; E394-S408 PolarHBondContact OE2-N 3.2Å; S408-L410 VanDerWaalsContact C-N 3.29Å; S408-L410 PolarHBondContact O-N 3.47Å; S408-L410 WeakPolarHBondContact OG-CG 3.46Å
409G94.9Very high95.1Very high41 Ų4154.4 Ų54.442%0.42332%0.319SS..SBendtrans-89.837.3176.100000114.4S390S390-G409 CarbonylContact O-C 3.54Å; S390-G409 WeakPolarHBondContact O-CA 3.49Å
410L95.3Very high95.2Very high10 Ų1055.1 Ų55.15%0.05231%0.308CS..  trans-94.4-4.9-166.9-66.3177.1000115.9Y392 S408 A412 Y413 V414 L419 L444 V456Y392-L410 HydrophobicContact CD2-CB 4.09Å; Y392-L410 HydrophobicContact CE2-CB 4.45Å; S408-L410 VanDerWaalsContact C-N 3.29Å; S408-L410 PolarHBondContact O-N 3.47Å; S408-L410 WeakPolarHBondContact OG-CG 3.46Å; L410-A412 PolarHBondContact O-N 3.37Å; L410-A412 VanDerWaalsContact O-N 3.09Å; L410-Y413 PolarHBondContact O-N 3.07Å; L410-V414 PolarHBondContact O-N 3.31Å; L410-L419 HydrophobicContact CB-CD1 4.38Å; L410-L419 HydrophobicContact CD1-CD1 4.38Å; L410-L419 HydrophobicContact CD1-CD2 4.34Å; L410-L444 HydrophobicContact CD1-CD1 4.07Å; L410-L444 HydrophobicContact CD1-CD2 4.04Å; L410-V456 HydrophobicContact CD2-CG1 3.84Å
411V95.3Very high95.2Very high35 Ų3556.6 Ų56.621%0.21232%0.318CS..THydrogen-bonded Turntrans-54.4-36-174-1780000113.5D389 S390 L391 Y392 Y413D389-V411 WeakPolarHBondContact O-CG1 3.41Å; S390-V411 VanDerWaalsContact C-CG2 3.43Å; L391-V411 VanDerWaalsContact C-CG2 3.45Å; Y392-V411 HydrophobicContact CD1-CG2 3.89Å; Y392-V411 HydrophobicContact CD2-CG2 3.74Å; Y392-V411 HydrophobicContact CE1-CG2 3.87Å; Y392-V411 VanDerWaalsContact CE2-CA 3.42Å; Y392-V411 HydrophobicContact CE2-CB 4.1Å; Y392-V411 HydrophobicContact CE2-CG2 3.72Å; Y392-V411 HydrophobicContact CG-CG2 3.82Å; V411-Y413 VanDerWaalsContact C-N 3.29Å; V411-Y413 PolarHBondContact O-N 2.82Å
412A92.8Very high95.3Very high85 Ų8552.8 Ų52.870%0.70229%0.286SS*.THydrogen-bonded Turntrans-80.3-6.8-179.600000114.2L410L410-A412 PolarHBondContact O-N 3.37Å; L410-A412 VanDerWaalsContact O-N 3.09Å
413Y93.9Very high95.5Very high88 Ų8847.7 Ų47.735%0.34527%0.269SS..THydrogen-bonded Turntrans-125.1-32.7-167-53.3-72.4000113.8L410 V411 R454 V456L410-Y413 PolarHBondContact O-N 3.07Å; V411-Y413 VanDerWaalsContact C-N 3.29Å; V411-Y413 PolarHBondContact O-N 2.82Å; Y413-R454 HydrophobicContact CE1-CG 4.4Å; Y413-V456 HydrophobicContact CD1-CB 3.89Å; Y413-V456 HydrophobicContact CD1-CG2 3.91Å; Y413-V456 HydrophobicContact CD2-CB 4.02Å; Y413-V456 HydrophobicContact CD2-CG2 4.08Å; Y413-V456 HydrophobicContact CE1-CB 4.34Å; Y413-V456 HydrophobicContact CE1-CG2 3.82Å; Y413-V456 HydrophobicContact CE2-CB 4.47Å; Y413-V456 HydrophobicContact CE2-CG2 4.02Å; Y413-V456 HydrophobicContact CG-CB 3.71Å; Y413-V456 HydrophobicContact CG-CG2 4.03Å
414V93.8Very high95.5Very high13 Ų1345.5 Ų45.58%0.07926%0.255CS..SBendtrans-137.1135.8-176.6-164.20000108.6Y392 L410 D418 L419 P458Y392-V414 WeakPolarHBondContact CE2-O 3.19Å; Y392-V414 PolarHBondContact OH-O 2.68Å; L410-V414 PolarHBondContact O-N 3.31Å; V414-D418 HydrophobicContact CG1-CB 3.72Å; V414-L419 HydrophobicContact CB-CD1 4.31Å; V414-L419 HydrophobicContact CB-CD2 4.32Å; V414-L419 HydrophobicContact CB-CG 4.14Å; V414-L419 HydrophobicContact CG1-CD1 4.41Å; V414-L419 HydrophobicContact CG1-CD2 3.85Å; V414-L419 HydrophobicContact CG1-CG 3.71Å; V414-P458 HydrophobicContact CG2-CG 3.96Å
415S95.3Very high95.5Very high42 Ų4243.6 Ų43.629%0.29425%0.248SC..  trans-73.5160.7177.791.60000111.2E417 D418 L419S415-E417 VanDerWaalsContact C-N 3.26Å; S415-E417 WeakPolarHBondContact CB-OE2 3.4Å; S415-E417 PolarHBondContact O-N 3.49Å; S415-E417 PolarHBondContact OG-N 3.34Å; S415-E417 PolarHBondContact OG-OE2 3.3Å; S415-D418 PolarHBondContact O-N 2.86Å; S415-D418 PolarHBondContact OG-N 3.38Å; S415-L419 PolarHBondContact O-N 3.36Å
416Q93.5Very high95.5Very high69 Ų6942.6 Ų42.632%0.32224%0.242SC..Hα-helixtrans-63.5-37.9177.8-175.7177.8-19.800111V382 Y392 D418 L419 Q420V382-Q416 HydrophobicContact CB-CG 3.89Å; V382-Q416 HydrophobicContact CG1-CG 3.83Å; V382-Q416 PolarHBondContact O-NE2 3.05Å; Y392-Q416 HydrophobicContact CE1-CB 4.2Å; Y392-Q416 PolarHBondContact OH-N 3.21Å; Q416-D418 VanDerWaalsContact C-N 3.34Å; Q416-L419 PolarHBondContact O-N 3.29Å; Q416-Q420 PolarHBondContact O-N 3.46Å
417E94.1Very high95.5Very high143 Ų14342.5 Ų42.567%0.66824%0.241SC*.Hα-helixtrans-65.5-37.3178.3-54.377.3-166.200111.8S415 L419S415-E417 VanDerWaalsContact C-N 3.26Å; S415-E417 WeakPolarHBondContact CB-OE2 3.4Å; S415-E417 PolarHBondContact O-N 3.49Å; S415-E417 PolarHBondContact OG-N 3.34Å; S415-E417 PolarHBondContact OG-OE2 3.3Å; E417-L419 VanDerWaalsContact C-N 3.27Å; E417-L419 PolarHBondContact O-N 2.95Å
418D93.1Very high95.6Very high99 Ų9942.5 Ų42.553%0.52924%0.241SC..Hα-helixtrans-74.6-15.7177.9-79.3-12.8000113.3V414 S415 Q416 R422V414-D418 HydrophobicContact CG1-CB 3.72Å; S415-D418 PolarHBondContact O-N 2.86Å; S415-D418 PolarHBondContact OG-N 3.38Å; Q416-D418 VanDerWaalsContact C-N 3.34Å; D418-R422 WeakPolarHBondContact O-CD 3.34Å
419L95.4Very high95.6Very high0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-97.2-30.5175.7-71.9175.3000112.6I379 V382 Y392 L410 V414 S415 Q416 E417 D421 R422 P458I379-L419 VanDerWaalsContact CB-O 3.32Å; I379-L419 WeakPolarHBondContact CB-O 3.33Å; I379-L419 HydrophobicContact CD1-CB 4.12Å; I379-L419 HydrophobicContact CD1-CD2 4.05Å; I379-L419 WeakPolarHBondContact CD1-O 3.38Å; I379-L419 WeakPolarHBondContact CG2-O 3.25Å; V382-L419 HydrophobicContact CG1-CD1 4.47Å; V382-L419 HydrophobicContact CG2-CB 3.81Å; Y392-L419 HydrophobicContact CD2-CD1 3.72Å; Y392-L419 HydrophobicContact CE2-CD1 3.82Å; L410-L419 HydrophobicContact CB-CD1 4.38Å; L410-L419 HydrophobicContact CD1-CD1 4.38Å; L410-L419 HydrophobicContact CD1-CD2 4.34Å; V414-L419 HydrophobicContact CB-CD1 4.31Å; V414-L419 HydrophobicContact CB-CD2 4.32Å; V414-L419 HydrophobicContact CB-CG 4.14Å; V414-L419 HydrophobicContact CG1-CD1 4.41Å; V414-L419 HydrophobicContact CG1-CD2 3.85Å; V414-L419 HydrophobicContact CG1-CG 3.71Å; S415-L419 PolarHBondContact O-N 3.36Å; Q416-L419 PolarHBondContact O-N 3.29Å; E417-L419 VanDerWaalsContact C-N 3.27Å; E417-L419 PolarHBondContact O-N 2.95Å; L419-D421 PolarHBondContact O-N 3.22Å; L419-R422 VanDerWaalsContact O-CB 3.23Å; L419-R422 WeakPolarHBondContact O-CB 3.35Å; L419-R422 PolarHBondContact O-N 2.82Å; L419-R422 VanDerWaalsContact O-N 3.15Å; L419-P458 HydrophobicContact CD2-CG 4Å
420Q96.4Very high95.6Very high67 Ų6742.1 Ų42.131%0.31323%0.229SC..THydrogen-bonded Turntrans-59.3131.5-179.8-176.757.951.700110.9V380 Q416 R422V380-Q420 PolarHBondContact O-NE2 2.96Å; Q416-Q420 PolarHBondContact O-N 3.46Å; Q420-R422 PolarHBondContact O-N 2.79Å
421D95.1Very high95.5Very high90 Ų9048 Ų4848%0.48125%0.254SS..THydrogen-bonded Turntrans60.47.1-177.4-74.4-78.3000116.1K378 I379 L419K378-D421 WeakPolarHBondContact CE-OD1 3.43Å; K378-D421 IonicContact NZ-OD1 2.93Å; K378-D421 PolarHBondContact NZ-OD1 2.88Å; I379-D421 WeakPolarHBondContact O-CA 3.18Å; I379-D421 PolarHBondContact O-N 2.88Å; I379-D421 VanDerWaalsContact O-N 3.07Å; L419-D421 PolarHBondContact O-N 3.22Å
422R96Very high95.4Very high53 Ų5348.4 Ų48.420%0.226%0.257CS..  trans-73.9140.5-179.2-175.6167.8-178158-1.5112.1I379 D418 L419 Q420 V424 D460I379-R422 PolarHBondContact N-O 2.85Å; D418-R422 WeakPolarHBondContact O-CD 3.34Å; L419-R422 VanDerWaalsContact O-CB 3.23Å; L419-R422 WeakPolarHBondContact O-CB 3.35Å; L419-R422 PolarHBondContact O-N 2.82Å; L419-R422 VanDerWaalsContact O-N 3.15Å; Q420-R422 PolarHBondContact O-N 2.79Å; R422-V424 HydrophobicContact CB-CG1 4.44Å; R422-V424 HydrophobicContact CG-CG1 3.97Å; R422-D460 IonicContact CZ-OD1 2.7Å; R422-D460 IonicContact NE-OD1 3.54Å; R422-D460 PolarHBondContact NE-OD1 3.31Å; R422-D460 IonicContact NH2-OD1 2.79Å; R422-D460 PolarHBondContact NH2-OD1 3.09Å; R422-D460 IonicContact NH2-OD2 2.68Å; R422-D460 PolarHBondContact NH2-OD2 3.39Å
423A97.2Very high95.4Very high39 Ų3950.9 Ų50.932%0.32225%0.254SS..EExtended strand (participates in β ladder)trans-79.4128.3165.300000110G377 P461G377-A423 CarbonylContact O-C 3.54Å; G377-A423 WeakPolarHBondContact O-CA 3.44Å; A423-P461 HydrophobicContact CB-CG 3.68Å; A423-P461 WeakPolarHBondContact O-CD 3.49Å
424V97.9Very high95.3Very high0 Ų053.7 Ų53.70%027%0.268CS..EExtended strand (participates in β ladder)trans-136171.3-175.2-64.80000110.7V376 G377 I379 I396 R422 V426 L444 P458V376-V424 CarbonylContact C-O 3.47Å; V376-V424 WeakPolarHBondContact CA-O 3.22Å; G377-V424 PolarHBondContact N-O 3.25Å; G377-V424 PolarHBondContact O-N 3.38Å; I379-V424 HydrophobicContact CD1-CG1 3.78Å; I379-V424 HydrophobicContact CD1-CG2 4.16Å; I379-V424 HydrophobicContact CG1-CG1 4.25Å; I379-V424 HydrophobicContact CG1-CG2 3.89Å; I396-V424 HydrophobicContact CD1-CG2 4.36Å; I396-V424 HydrophobicContact CG2-CG2 4.29Å; R422-V424 HydrophobicContact CB-CG1 4.44Å; R422-V424 HydrophobicContact CG-CG1 3.97Å; V424-V426 HydrophobicContact CG2-CG2 3.89Å; V424-L444 HydrophobicContact CB-CD1 4.48Å; V424-L444 HydrophobicContact CB-CG 4.32Å; V424-L444 HydrophobicContact CG1-CD1 4.39Å; V424-L444 HydrophobicContact CG2-CD1 4.31Å; V424-L444 HydrophobicContact CG2-CG 4.32Å; V424-P458 HydrophobicContact CG1-CB 4.39Å
425L98.2Very high95.1Very high1 Ų156 Ų561%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-107.1133.6174.3-71.2-50.8000110.1I374 V376 L445 L459 P461 V471 I521I374-L425 HydrophobicContact CG2-CB 4.33Å; V376-L425 HydrophobicContact CG2-CD1 3.93Å; L425-L445 HydrophobicContact CB-CB 4.35Å; L425-L445 PolarHBondContact O-N 3Å; L425-L459 HydrophobicContact CB-CB 4.29Å; L425-L459 HydrophobicContact CD2-CB 3.7Å; L425-L459 WeakPolarHBondContact CD2-O 3.49Å; L425-L459 HydrophobicContact CG-CB 4.23Å; L425-P461 HydrophobicContact CD1-CB 4.43Å; L425-P461 HydrophobicContact CD2-CB 4.08Å; L425-P461 HydrophobicContact CD2-CG 4.15Å; L425-V471 HydrophobicContact CD1-CG2 3.29Å; L425-V471 HydrophobicContact CG-CG2 4.32Å; L425-I521 HydrophobicContact CD1-CD1 4.02Å; L425-I521 HydrophobicContact CD2-CD1 4.23Å; L425-I521 HydrophobicContact CD2-CG2 3.85Å; L425-I521 HydrophobicContact CG-CD1 4.29Å; L425-I521 HydrophobicContact CG-CG2 4.12Å
426V97.9Very high94.8Very high0 Ų062.7 Ų62.70%030%0.298CS..EExtended strand (participates in β ladder)trans-133.8132.1-172.1-170.90000110.7I374 R375 I396 V398 V424 A442 M443I374-V426 CarbonylContact C-O 3.58Å; I374-V426 WeakPolarHBondContact CA-O 3.23Å; R375-V426 PolarHBondContact N-O 2.74Å; R375-V426 PolarHBondContact O-N 3.46Å; I396-V426 HydrophobicContact CD1-CG2 4.13Å; I396-V426 HydrophobicContact CG2-CG2 4.09Å; V398-V426 HydrophobicContact CG1-CB 4.37Å; V424-V426 HydrophobicContact CG2-CG2 3.89Å; V426-A442 HydrophobicContact CG1-CB 3.33Å; V426-M443 CarbonylContact C-O 3.58Å; V426-M443 VanDerWaalsContact CA-O 3.32Å; V426-M443 WeakPolarHBondContact CA-O 3.25Å; V426-M443 WeakPolarHBondContact CG1-O 3.21Å
427L97.9Very high94.6Very high0 Ų062.3 Ų62.30%031%0.312CS..EExtended strand (participates in β ladder)trans-90114.3172.9179.362.3000110.6L372 I374 N429 L430 A442 M443 L445 W492L372-L427 HydrophobicContact CB-CD1 3.88Å; L372-L427 HydrophobicContact CD2-CD1 4.22Å; I374-L427 HydrophobicContact CG1-CD1 3.95Å; L427-N429 VanDerWaalsContact CD1-OD1 3.3Å; L427-N429 WeakPolarHBondContact CD1-OD1 3.32Å; L427-L430 HydrophobicContact CD2-CD1 3.56Å; L427-L430 HydrophobicContact CD2-CD2 4.34Å; L427-L430 HydrophobicContact CD2-CG 3.68Å; L427-L430 HydrophobicContact CG-CD1 4.17Å; L427-L430 HydrophobicContact CG-CG 4.07Å; L427-A442 WeakPolarHBondContact O-CA 3.44Å; L427-A442 WeakPolarHBondContact O-CB 3.27Å; L427-M443 HydrophobicContact CB-CB 4.36Å; L427-M443 PolarHBondContact N-O 2.83Å; L427-M443 PolarHBondContact O-N 3.13Å; L427-M443 VanDerWaalsContact O-N 3.12Å; L427-L445 HydrophobicContact CB-CD2 4.25Å; L427-L445 HydrophobicContact CB-CG 4.49Å; L427-W492 HydrophobicContact CD2-CD2 3.62Å; L427-W492 HydrophobicContact CD2-CE3 3.4Å; L427-W492 VanDerWaalsContact CD2-CE3 3.4Å; L427-W492 HydrophobicContact CD2-CG 4.26Å; L427-W492 HydrophobicContact CD2-CH2 4.11Å; L427-W492 HydrophobicContact CD2-CZ2 4.29Å; L427-W492 HydrophobicContact CD2-CZ3 3.68Å
428C97.4Very high94.5Very high7 Ų757.6 Ų57.65%0.04729%0.291CS..  trans-101.6-11.3-166-69.40000115.2D373 R404D373-C428 HydrophobicContact CB-CB 4.38Å; D373-C428 PolarHBondContact O-N 3.14Å; R404-C428 PolarHBondContact NH1-O 3.38Å
429N96.5Very high94.6Very high3 Ų357 Ų572%0.01629%0.285CS..SBendtrans-107.817.6-175.368.1-15.1000114.5R371 D373 L427 D482 K484 L485R371-N429 PolarHBondContact O-ND2 3.04Å; D373-N429 HydrophobicContact CB-CB 3.7Å; D373-N429 PolarHBondContact N-ND2 2.84Å; D373-N429 PolarHBondContact N-OD1 2.81Å; L427-N429 VanDerWaalsContact CD1-OD1 3.3Å; L427-N429 WeakPolarHBondContact CD1-OD1 3.32Å; N429-D482 WeakPolarHBondContact CB-O 3.43Å; N429-D482 PolarHBondContact ND2-O 3.16Å; N429-K484 CarbonylContact O-C 3.58Å; N429-K484 WeakPolarHBondContact O-CA 3.25Å; N429-L485 PolarHBondContact O-N 3.5Å; N429-L485 WeakPolarHBondContact OD1-CD1 3.34Å
430L94.1Very high94.7Very high40 Ų4057.5 Ų57.521%0.20929%0.289CS..SBendtrans-74.5159.1167.1-75.5174.4000111.7L427 M443 L485 W492L427-L430 HydrophobicContact CD2-CD1 3.56Å; L427-L430 HydrophobicContact CD2-CD2 4.34Å; L427-L430 HydrophobicContact CD2-CG 3.68Å; L427-L430 HydrophobicContact CG-CD1 4.17Å; L427-L430 HydrophobicContact CG-CG 4.07Å; L430-M443 HydrophobicContact CD1-CB 4.01Å; L430-M443 HydrophobicContact CD1-CE 3.72Å; L430-M443 HydrophobicContact CD1-SD 3.9Å; L430-L485 HydrophobicContact CD2-CD1 3.87Å; L430-L485 HydrophobicContact CG-CD1 4.42Å; L430-W492 HydrophobicContact CD2-CB 3.92Å; L430-W492 HydrophobicContact CD2-CG 4.16Å
431K93.1Very high94.7Very high135 Ų13557.5 Ų57.559%0.58729%0.289SS*.PPolyproline II helixtrans-69.7128.9168.3-174.2-178.8176.4-176.10108.7P487K431-P487 HydrophobicContact CB-CG 4.24Å; K431-P487 HydrophobicContact CD-CG 4.19Å
432P94.3Very high94.7Very high43 Ų4353.6 Ų53.628%0.27927%0.269SS..PPolyproline II helixtrans-54.3142175.1-27.435000112E439 S440P432-E439 HydrophobicContact CB-CG 3.67Å; P432-S440 VanDerWaalsContact CA-O 3.23Å; P432-S440 WeakPolarHBondContact CA-O 3.46Å; P432-S440 WeakPolarHBondContact CB-O 3.31Å
433Q92.4Very high94.8Very high137 Ų13754 Ų5464%0.6427%0.274SS*.EExtended strand (participates in β ladder)trans-128.9133.4-177.4-176.3173-18.600110.1S440Q433-S440 PolarHBondContact N-O 3.05Å; Q433-S440 VanDerWaalsContact N-O 3.14Å; Q433-S440 PolarHBondContact O-N 3.02Å
434K92.8Very high94.8Very high147 Ų14752.8 Ų52.864%0.63926%0.262SS*.EExtended strand (participates in β ladder)trans-77.3125.7173-70.1-171.6177-1720110.4I438 E439K434-I438 CarbonylContact C-O 3.58Å; K434-I438 VanDerWaalsContact CA-O 3.31Å; K434-I438 WeakPolarHBondContact CA-O 3.31Å; K434-E439 HydrophobicContact CG-CB 4.27Å
435M87.6Confident94.8Very high61 Ų6152.9 Ų52.930%0.326%0.262SS..EExtended strand (participates in β ladder)trans-119113.7172.6-66.7-179.967.700107H385 L391 V407 G437 I438H385-M435 PolarHBondContact NE2-O 2.83Å; L391-M435 HydrophobicContact CD1-CB 4.49Å; L391-M435 HydrophobicContact CD1-CE 4.19Å; L391-M435 HydrophobicContact CD2-CE 3.91Å; V407-M435 HydrophobicContact CB-CB 4.26Å; V407-M435 HydrophobicContact CB-SD 4.1Å; V407-M435 HydrophobicContact CG1-CB 3.9Å; V407-M435 HydrophobicContact CG1-CE 4.27Å; V407-M435 HydrophobicContact CG1-SD 4.17Å; M435-G437 PolarHBondContact O-N 3Å; M435-G437 VanDerWaalsContact O-N 3.11Å; M435-I438 PolarHBondContact N-O 3.3Å; M435-I438 PolarHBondContact O-N 2.76Å; M435-I438 VanDerWaalsContact O-N 3.12Å
436R90.2Very high94.8Very high182 Ų18253 Ų5369%0.68726%0.264SS*.THydrogen-bonded Turntrans50.738.9-179.3-61-71.2-178.9-134.7-0.7113.8H385 A388 L391H385-R436 PolarHBondContact CE1-O 2.86Å; A388-R436 HydrophobicContact CB-CG 4.09Å; L391-R436 HydrophobicContact CD1-CG 4.13Å
437G88.1Confident94.8Very high61 Ų6153 Ų5363%0.62926%0.264SS*.THydrogen-bonded Turntrans95.1-22.8175.200000114.7M435M435-G437 PolarHBondContact O-N 3Å; M435-G437 VanDerWaalsContact O-N 3.11Å
438I92.3Very high94.6Very high44 Ų4453.3 Ų53.323%0.22627%0.266CS..EExtended strand (participates in β ladder)trans-93.8135.9178.4-55.3-175.3000110.1H385 P386 L393 T405 V407 K434 M435H385-I438 WeakPolarHBondContact NE2-CD1 3.34Å; P386-I438 HydrophobicContact CG-CD1 4.3Å; L393-I438 HydrophobicContact CD1-CD1 4.28Å; L393-I438 HydrophobicContact CD1-CG2 3.79Å; L393-I438 HydrophobicContact CD2-CD1 4.06Å; T405-I438 HydrophobicContact CG2-CG2 4.18Å; V407-I438 HydrophobicContact CG2-CB 4.29Å; V407-I438 HydrophobicContact CG2-CG2 4.03Å; K434-I438 CarbonylContact C-O 3.58Å; K434-I438 VanDerWaalsContact CA-O 3.31Å; K434-I438 WeakPolarHBondContact CA-O 3.31Å; M435-I438 PolarHBondContact N-O 3.3Å; M435-I438 PolarHBondContact O-N 2.76Å; M435-I438 VanDerWaalsContact O-N 3.12Å
439E95.7Very high94.4Very high86 Ų8654.7 Ų54.740%0.40227%0.272SS..EExtended strand (participates in β ladder)trans-83.4118.6178.8-174.6173.795.600111.2P432 K434P432-E439 HydrophobicContact CB-CG 3.67Å; K434-E439 HydrophobicContact CG-CB 4.27Å
440S96.8Very high93.8Very high11 Ų1162.2 Ų62.28%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-84.8120.9168.9-165.70000109.9V407 P432 Q433 A442V407-S440 PolarHBondContact N-OG 2.87Å; P432-S440 VanDerWaalsContact CA-O 3.23Å; P432-S440 WeakPolarHBondContact CA-O 3.46Å; P432-S440 WeakPolarHBondContact CB-O 3.31Å; Q433-S440 PolarHBondContact N-O 3.05Å; Q433-S440 VanDerWaalsContact N-O 3.14Å; Q433-S440 PolarHBondContact O-N 3.02Å; S440-A442 PolarHBondContact OG-O 3.32Å
441Q96.4Very high93.1Very high68 Ų6862.6 Ų62.632%0.31832%0.321SS..  trans-96.5-3.6-173.1-61.1177.2-4400113.3R404 T405R404-Q441 HydrophobicContact CB-CB 4.28Å; R404-Q441 PolarHBondContact NH1-O 2.84Å; T405-Q441 WeakPolarHBondContact O-CB 3.4Å; T405-Q441 PolarHBondContact O-N 3.2Å
442A96.9Very high92.3Very high8 Ų866 Ų667%0.06634%0.338CS..SBendtrans-158.4177.9174.100000110.2V406 V426 L427 S440V406-A442 HydrophobicContact CG2-CB 3.9Å; V426-A442 HydrophobicContact CG1-CB 3.33Å; L427-A442 WeakPolarHBondContact O-CA 3.44Å; L427-A442 WeakPolarHBondContact O-CB 3.27Å; S440-A442 PolarHBondContact OG-O 3.32Å
443M97.3Very high91.8Very high62 Ų6269.2 Ų69.231%0.30536%0.36SS..EExtended strand (participates in β ladder)trans-125.3121.8177.4175.8-179.2-76.100110V426 L427 L430 L445 W492 S532V426-M443 CarbonylContact C-O 3.58Å; V426-M443 VanDerWaalsContact CA-O 3.32Å; V426-M443 WeakPolarHBondContact CA-O 3.25Å; V426-M443 WeakPolarHBondContact CG1-O 3.21Å; L427-M443 HydrophobicContact CB-CB 4.36Å; L427-M443 PolarHBondContact N-O 2.83Å; L427-M443 PolarHBondContact O-N 3.13Å; L427-M443 VanDerWaalsContact O-N 3.12Å; L430-M443 HydrophobicContact CD1-CB 4.01Å; L430-M443 HydrophobicContact CD1-CE 3.72Å; L430-M443 HydrophobicContact CD1-SD 3.9Å; M443-L445 HydrophobicContact CG-CD2 4.4Å; M443-L445 HydrophobicContact SD-CD2 4.48Å; M443-W492 HydrophobicContact SD-CZ2 3.86Å; M443-S532 VanDerWaalsContact SD-OXT 3.4Å
444L97.6Very high91.7Very high13 Ų1368.8 Ų68.87%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-77.2122.2174.4-170.2167.5000109I379 I396 V406 L410 V424 C446 P458I379-L444 HydrophobicContact CD1-CD1 4.12Å; I396-L444 HydrophobicContact CD1-CD1 4.21Å; V406-L444 HydrophobicContact CG1-CB 4.31Å; L410-L444 HydrophobicContact CD1-CD1 4.07Å; L410-L444 HydrophobicContact CD1-CD2 4.04Å; V424-L444 HydrophobicContact CB-CD1 4.48Å; V424-L444 HydrophobicContact CB-CG 4.32Å; V424-L444 HydrophobicContact CG1-CD1 4.39Å; V424-L444 HydrophobicContact CG2-CD1 4.31Å; V424-L444 HydrophobicContact CG2-CG 4.32Å; L444-C446 WeakPolarHBondContact CD2-SG 3.27Å; L444-P458 HydrophobicContact CD2-CB 4.46Å
445L97.9Very high91.8Very high1 Ų168.1 Ų68.11%0.00535%0.346CS..  trans-86.5125.9-175.6-61.2-178.1000111.5I374 L425 L427 M443 L459 W492 I531I374-L445 HydrophobicContact CD1-CD1 3.87Å; I374-L445 HydrophobicContact CG1-CD1 4.05Å; I374-L445 HydrophobicContact CG2-CD1 3.79Å; L425-L445 HydrophobicContact CB-CB 4.35Å; L425-L445 PolarHBondContact O-N 3Å; L427-L445 HydrophobicContact CB-CD2 4.25Å; L427-L445 HydrophobicContact CB-CG 4.49Å; M443-L445 HydrophobicContact CG-CD2 4.4Å; M443-L445 HydrophobicContact SD-CD2 4.48Å; L445-L459 HydrophobicContact CB-CD1 4.08Å; L445-L459 PolarHBondContact O-N 2.91Å; L445-W492 HydrophobicContact CD2-CH2 3.56Å; L445-W492 HydrophobicContact CD2-CZ2 3.99Å; L445-W492 HydrophobicContact CD2-CZ3 4.47Å; L445-I531 HydrophobicContact CB-CG2 4.14Å
446C97.4Very high92.1Very high5 Ų566 Ų663%0.03434%0.336CS..EExtended strand (participates in β ladder)trans-122.6148.1178.2-660000111.8L444 V456 E457 I531 S532L444-C446 WeakPolarHBondContact CD2-SG 3.27Å; C446-V456 HydrophobicContact CB-CG1 3.53Å; C446-E457 CarbonylContact C-O 3.55Å; C446-E457 WeakPolarHBondContact CA-O 3.31Å; C446-E457 WeakPolarHBondContact CB-O 3.3Å; C446-I531 VanDerWaalsContact O-CA 3.31Å; C446-I531 WeakPolarHBondContact O-CA 3.41Å; C446-S532 PolarHBondContact N-O 2.8Å; C446-S532 PolarHBondContact O-N 3.5Å
447A97.1Very high92.4Very high0 Ų058.3 Ų58.30%031%0.308CS..EExtended strand (participates in β ladder)trans-71.9138160.500000109.2V456 E457 L459 I501 C523 L526 N530A447-V456 CarbonylContact O-C 3.52Å; A447-V456 VanDerWaalsContact O-CA 3.28Å; A447-V456 WeakPolarHBondContact O-CA 3.15Å; A447-E457 HydrophobicContact CB-CG 4.09Å; A447-E457 PolarHBondContact N-O 2.87Å; A447-E457 PolarHBondContact O-N 3.25Å; A447-L459 HydrophobicContact CB-CD2 3.99Å; A447-I501 HydrophobicContact CB-CD1 3.9Å; A447-I501 HydrophobicContact CB-CG1 3.61Å; A447-C523 HydrophobicContact CB-CB 3.98Å; A447-L526 HydrophobicContact CB-CB 4.36Å; A447-L526 HydrophobicContact CB-CD1 3.97Å; A447-N530 CarbonylContact C-O 3.51Å
448S94.7Very high92.8Very high6 Ų655.5 Ų55.54%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-143.3144.9175.466.70000113R455 G529 N530S448-R455 VanDerWaalsContact CA-O 3.26Å; S448-R455 WeakPolarHBondContact CA-O 3.09Å; S448-G529 CarbonylContact O-C 3.45Å; S448-G529 WeakPolarHBondContact O-CA 3.31Å; S448-N530 PolarHBondContact N-O 3.09Å; S448-N530 PolarHBondContact O-N 3.33Å
449I92.3Very high93.1Very high36 Ų3653.5 Ų53.519%0.18527%0.268CS..EExtended strand (participates in β ladder)trans-121.2124.1171.5-63.5179.2000107.7R455 L526 K527I449-R455 PolarHBondContact N-O 2.84Å; I449-R455 PolarHBondContact O-N 3.22Å; I449-L526 HydrophobicContact CD1-CB 4.15Å; I449-L526 HydrophobicContact CD1-CD2 3.89Å; I449-L526 HydrophobicContact CD1-CG 4.46Å; I449-L526 HydrophobicContact CG1-CB 4.49Å; I449-L526 HydrophobicContact CG1-CD1 4.39Å; I449-L526 HydrophobicContact CG1-CD2 4.34Å; I449-K527 VanDerWaalsContact CD1-O 3.25Å; I449-K527 WeakPolarHBondContact CD1-O 3.14Å
450E85.4Confident93.1Very high160 Ų16051.1 Ų51.175%0.74826%0.259SS*.  trans-71.7146.6173.6-62.9-170.6175.200110.9
451G79.3Confident93.1Very high48 Ų4851.4 Ų51.450%0.49526%0.26SS..SBendtrans145.9-178.8-177.300000111.9P453 R454G451-P453 CarbonylContact O-C 3.41Å; G451-P453 VanDerWaalsContact O-C 3.25Å; G451-R454 WeakPolarHBondContact O-CA 3.49Å; G451-R454 PolarHBondContact O-N 2.7Å
452E75.8Confident93.1Very high206 Ų20649.4 Ų49.496%0.96325%0.253SS*.SBendtrans-117.1107.8171.6-69.5-168.2173.300109.4
453P83.4Confident92.8Very high112 Ų11258.3 Ų58.373%0.72729%0.293SS*.SBendcis-81.4143.6232.9-33.8000113.4G451G451-P453 CarbonylContact O-C 3.41Å; G451-P453 VanDerWaalsContact O-C 3.25Å
454R91.4Very high92.5Very high127 Ų12758.3 Ų58.348%0.47931%0.309SS..  trans-64.9134.7169.7178.9177.2177.4-179.61.3108.7Y413 G451 V456Y413-R454 HydrophobicContact CE1-CG 4.4Å; G451-R454 WeakPolarHBondContact O-CA 3.49Å; G451-R454 PolarHBondContact O-N 2.7Å; R454-V456 HydrophobicContact CG-CG2 4.23Å
455R93.3Very high92.3Very high133 Ų13358.5 Ų58.550%0.50231%0.311SS..EExtended strand (participates in β ladder)trans-116.1136.8177.2-64.9-178.8-71.7173-1.4110.1S448 I449 L526S448-R455 VanDerWaalsContact CA-O 3.26Å; S448-R455 WeakPolarHBondContact CA-O 3.09Å; I449-R455 PolarHBondContact N-O 2.84Å; I449-R455 PolarHBondContact O-N 3.22Å; R455-L526 HydrophobicContact CB-CD1 4.41Å; R455-L526 HydrophobicContact CB-CD2 3.82Å
456V95.4Very high92.1Very high18 Ų1861.8 Ų61.811%0.10934%0.335CS..EExtended strand (participates in β ladder)trans-139.9134.1179.3-175.20000108L410 Y413 C446 A447 R454L410-V456 HydrophobicContact CD2-CG1 3.84Å; Y413-V456 HydrophobicContact CD1-CB 3.89Å; Y413-V456 HydrophobicContact CD1-CG2 3.91Å; Y413-V456 HydrophobicContact CD2-CB 4.02Å; Y413-V456 HydrophobicContact CD2-CG2 4.08Å; Y413-V456 HydrophobicContact CE1-CB 4.34Å; Y413-V456 HydrophobicContact CE1-CG2 3.82Å; Y413-V456 HydrophobicContact CE2-CB 4.47Å; Y413-V456 HydrophobicContact CE2-CG2 4.02Å; Y413-V456 HydrophobicContact CG-CB 3.71Å; Y413-V456 HydrophobicContact CG-CG2 4.03Å; C446-V456 HydrophobicContact CB-CG1 3.53Å; A447-V456 CarbonylContact O-C 3.52Å; A447-V456 VanDerWaalsContact O-CA 3.28Å; A447-V456 WeakPolarHBondContact O-CA 3.15Å; R454-V456 HydrophobicContact CG-CG2 4.23Å
457E95.6Very high92Very high20 Ų2063.9 Ų63.99%0.09335%0.348CS..EExtended strand (participates in β ladder)trans-141144.6171.266.8-173.2-170.800110.6C446 A447 C523 K524 T525 L526C446-E457 CarbonylContact C-O 3.55Å; C446-E457 WeakPolarHBondContact CA-O 3.31Å; C446-E457 WeakPolarHBondContact CB-O 3.3Å; A447-E457 HydrophobicContact CB-CG 4.09Å; A447-E457 PolarHBondContact N-O 2.87Å; A447-E457 PolarHBondContact O-N 3.25Å; E457-C523 HydrophobicContact CG-CB 4.03Å; E457-C523 WeakPolarHBondContact OE1-CB 3.34Å; E457-C523 PolarHBondContact OE1-SG 3.24Å; E457-K524 PolarHBondContact OE1-N 2.94Å; E457-T525 PolarHBondContact OE1-N 3.29Å; E457-T525 PolarHBondContact OE2-N 2.82Å; E457-T525 VanDerWaalsContact OE2-N 3.16Å; E457-T525 PolarHBondContact OE2-OG1 3.12Å; E457-L526 HydrophobicContact CG-CD1 3.82Å; E457-L526 HydrophobicContact CG-CG 3.87Å; E457-L526 PolarHBondContact OE1-N 3.49Å
458P97Very high91.9Very high2 Ų265 Ų651%0.01336%0.36CS..EExtended strand (participates in β ladder)trans-62148.3175.7-21.634.3000111.3V414 L419 V424 L444V414-P458 HydrophobicContact CG2-CG 3.96Å; L419-P458 HydrophobicContact CD2-CG 4Å; V424-P458 HydrophobicContact CG1-CB 4.39Å; L444-P458 HydrophobicContact CD2-CB 4.46Å
459L97.8Very high92Very high1 Ų166 Ų661%0.00536%0.364CS..  trans-73.8143.1168.8-62.5-176.8000110.6L425 L445 A447 I501 A507 I521 C523 I531L425-L459 HydrophobicContact CB-CB 4.29Å; L425-L459 HydrophobicContact CD2-CB 3.7Å; L425-L459 WeakPolarHBondContact CD2-O 3.49Å; L425-L459 HydrophobicContact CG-CB 4.23Å; L445-L459 HydrophobicContact CB-CD1 4.08Å; L445-L459 PolarHBondContact O-N 2.91Å; A447-L459 HydrophobicContact CB-CD2 3.99Å; L459-I501 HydrophobicContact CD2-CD1 3.77Å; L459-A507 HydrophobicContact CD1-CB 4.35Å; L459-A507 HydrophobicContact CD2-CB 4.37Å; L459-I521 HydrophobicContact CB-CG2 3.99Å; L459-I521 HydrophobicContact CD1-CG2 4.28Å; L459-C523 HydrophobicContact CD2-CB 4.01Å; L459-I531 HydrophobicContact CD1-CD1 4.14Å; L459-I531 HydrophobicContact CD1-CG1 4.39Å; L459-I531 HydrophobicContact CD1-CG2 3.77Å
460D96.5Very high92.2Very high37 Ų3767.8 Ų67.820%0.19837%0.368CS..BIsolated β-bridgetrans-111.8117.1-176.4-65.6-51.6000110.2R422 T522R422-D460 IonicContact CZ-OD1 2.7Å; R422-D460 IonicContact NE-OD1 3.54Å; R422-D460 PolarHBondContact NE-OD1 3.31Å; R422-D460 IonicContact NH2-OD1 2.79Å; R422-D460 PolarHBondContact NH2-OD1 3.09Å; R422-D460 IonicContact NH2-OD2 2.68Å; R422-D460 PolarHBondContact NH2-OD2 3.39Å; D460-T522 PolarHBondContact N-O 2.88Å; D460-T522 PolarHBondContact O-N 2.93Å
461P97.3Very high92.7Very high16 Ų1660.6 Ų60.610%0.10434%0.335CS..PPolyproline II helixtrans-75.8159.1169.633.3-30.8000110.3V376 A423 L425 I521V376-P461 HydrophobicContact CG1-CB 4.4Å; V376-P461 HydrophobicContact CG1-CG 4.06Å; V376-P461 HydrophobicContact CG2-CB 3.97Å; V376-P461 HydrophobicContact CG2-CG 4.48Å; A423-P461 HydrophobicContact CB-CG 3.68Å; A423-P461 WeakPolarHBondContact O-CD 3.49Å; L425-P461 HydrophobicContact CD1-CB 4.43Å; L425-P461 HydrophobicContact CD2-CB 4.08Å; L425-P461 HydrophobicContact CD2-CG 4.15Å; P461-I521 HydrophobicContact CB-CD1 3.93Å
462P95.4Very high93.4Very high26 Ų2660.7 Ų60.717%0.16932%0.324CS..PPolyproline II helixtrans-53.9144.3174.4-25.132000112.6G464 S465 L518 G519 Q520P462-G464 PolarHBondContact O-N 3.47Å; P462-S465 WeakPolarHBondContact O-CB 3.45Å; P462-S465 PolarHBondContact O-N 3.31Å; P462-S465 VanDerWaalsContact O-N 3.09Å; P462-S465 PolarHBondContact O-OG 2.68Å; P462-L518 HydrophobicContact CB-CB 3.85Å; P462-L518 HydrophobicContact CG-CB 4.35Å; P462-G519 VanDerWaalsContact CG-C 3.43Å; P462-Q520 WeakPolarHBondContact CG-O 3.45Å
463E92Very high94.3Very high196 Ų19651.4 Ų51.492%0.91628%0.281SS*.THydrogen-bonded Turntrans-54.9133.5176.1-168.8176.8-179.700110.8
464G89.3Confident94.7Very high61 Ų6150.2 Ų50.263%0.62927%0.266SS*.THydrogen-bonded Turntrans88.8-1.7-175.900000115.6P462 L518P462-G464 PolarHBondContact O-N 3.47Å; G464-L518 WeakPolarHBondContact O-CD1 3.45Å
465S93.9Very high94.5Very high17 Ų1746.3 Ų46.312%0.11927%0.265CS..PPolyproline II helixtrans-62.8139.1174.4-57.90000110.9P462P462-S465 WeakPolarHBondContact O-CB 3.45Å; P462-S465 PolarHBondContact O-N 3.31Å; P462-S465 VanDerWaalsContact O-N 3.09Å; P462-S465 PolarHBondContact O-OG 2.68Å
466S93.2Very high94.3Very high71 Ų7142.4 Ų42.450%0.49725%0.25SS..PPolyproline II helixtrans-96.7145.1-174.1-63.10000112.2G468 E469S466-G468 PolarHBondContact O-N 3.05Å; S466-E469 PolarHBondContact N-OE2 3.24Å; S466-E469 WeakPolarHBondContact O-CB 3.48Å; S466-E469 PolarHBondContact O-N 3.4Å
467P96.6Very high93.9Very high48 Ų4845.9 Ų45.931%0.31227%0.266SS..THydrogen-bonded Turntrans-52.4134.6171.4-27.135.9000112.4K378 D397 E469K378-P467 HydrophobicContact CB-CG 3.79Å; D397-P467 HydrophobicContact CB-CB 4.41Å; P467-E469 VanDerWaalsContact C-N 3.29Å; P467-E469 PolarHBondContact O-N 2.91Å
468G95Very high93.1Very high24 Ų2448.9 Ų48.925%0.24729%0.289CS..THydrogen-bonded Turntrans82.1-4.5-176.200000115.6V376 V398 S466 R470V376-G468 PolarHBondContact O-N 3.46Å; V398-G468 WeakPolarHBondContact O-CA 3.26Å; S466-G468 PolarHBondContact O-N 3.05Å; G468-R470 PolarHBondContact O-N 2.95Å
469E96.3Very high92.3Very high28 Ų2849.2 Ų49.213%0.13129%0.293CS..PPolyproline II helixtrans-60.7128.4171.8-176.5171.7-175.200110.5R375 V376 S466 P467 T516 K517R375-E469 CarbonylContact C-O 3.59Å; R375-E469 VanDerWaalsContact CA-O 3.26Å; R375-E469 WeakPolarHBondContact CA-O 3.1Å; V376-E469 HydrophobicContact CB-CB 4.28Å; V376-E469 HydrophobicContact CG2-CB 4.17Å; V376-E469 PolarHBondContact N-O 3.07Å; S466-E469 PolarHBondContact N-OE2 3.24Å; S466-E469 WeakPolarHBondContact O-CB 3.48Å; S466-E469 PolarHBondContact O-N 3.4Å; P467-E469 VanDerWaalsContact C-N 3.29Å; P467-E469 PolarHBondContact O-N 2.91Å; E469-T516 WeakPolarHBondContact OE1-CB 3.43Å; E469-K517 VanDerWaalsContact OE1-CB 3.25Å; E469-K517 WeakPolarHBondContact OE1-CB 3.36Å; E469-K517 WeakPolarHBondContact OE1-CG 3.37Å; E469-K517 PolarHBondContact OE1-N 2.95Å
470R95.6Very high91.7Very high72 Ų7256.6 Ų56.627%0.27233%0.325SS..BIsolated β-bridgetrans-78.2131.6-178.3-171.9171.1177.9-144.2-7.9110.9S370 G468 L472 G479S370-R470 PolarHBondContact O-NH2 2.95Å; G468-R470 PolarHBondContact O-N 2.95Å; R470-L472 HydrophobicContact CG-CD2 4.2Å; R470-G479 PolarHBondContact NH1-O 2.82Å; R470-G479 PolarHBondContact NH2-O 2.87Å
471V96.6Very high91.5Very high9 Ų955.7 Ų55.76%0.05532%0.323CS..PPolyproline II helixtrans-81.7131.9169.8-177.90000109.4I374 V376 L425 L514 L515 T516 I521I374-V471 HydrophobicContact CB-CB 4.07Å; I374-V471 HydrophobicContact CG2-CB 3.84Å; I374-V471 HydrophobicContact CG2-CG1 4.46Å; I374-V471 HydrophobicContact CG2-CG2 3.83Å; I374-V471 PolarHBondContact O-N 3.14Å; V376-V471 HydrophobicContact CG2-CG2 4.46Å; L425-V471 HydrophobicContact CD1-CG2 3.29Å; L425-V471 HydrophobicContact CG-CG2 4.32Å; V471-L514 HydrophobicContact CG1-CB 3.86Å; V471-L514 HydrophobicContact CG1-CD2 4.17Å; V471-L514 HydrophobicContact CG1-CG 4.08Å; V471-L515 WeakPolarHBondContact CA-O 3.29Å; V471-T516 HydrophobicContact CG2-CG2 4.45Å; V471-I521 HydrophobicContact CG1-CG1 3.95Å; V471-I521 HydrophobicContact CG2-CD1 4.26Å; V471-I521 HydrophobicContact CG2-CG1 4.49Å
472L94.7Very high91.2Very high51 Ų5156.2 Ų56.227%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-113.6154179.1-57.7174.3000109.5R470 E477 L514 L515R470-L472 HydrophobicContact CG-CD2 4.2Å; L472-E477 HydrophobicContact CB-CG 4.36Å; L472-E477 HydrophobicContact CD1-CB 4.06Å; L472-E477 HydrophobicContact CD1-CG 4.15Å; L472-L514 CarbonylContact O-C 3.59Å; L472-L514 WeakPolarHBondContact O-CA 3.21Å; L472-L515 PolarHBondContact N-O 2.86Å; L472-L515 PolarHBondContact O-N 2.9Å
473V95.3Very high90.9Very high10 Ų1063.9 Ų63.96%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-99.5135.3169.2177.70000108.2P369 G475 Y476 W509 R512 K513 L514P369-V473 HydrophobicContact CB-CB 4.15Å; P369-V473 HydrophobicContact CB-CG2 3.61Å; P369-V473 HydrophobicContact CG-CB 3.78Å; P369-V473 HydrophobicContact CG-CG1 3.99Å; P369-V473 HydrophobicContact CG-CG2 3.83Å; V473-G475 PolarHBondContact O-N 3.31Å; V473-Y476 HydrophobicContact CB-CD2 4.35Å; V473-Y476 HydrophobicContact CG1-CD2 4.01Å; V473-Y476 WeakPolarHBondContact O-CA 3.17Å; V473-Y476 WeakPolarHBondContact O-CB 3.38Å; V473-Y476 PolarHBondContact O-N 3.36Å; V473-W509 HydrophobicContact CG1-CB 4.09Å; V473-W509 HydrophobicContact CG1-CE3 4.37Å; V473-W509 HydrophobicContact CG2-CB 4.22Å; V473-R512 HydrophobicContact CG1-CB 3.73Å; V473-K513 WeakPolarHBondContact CA-O 3.16Å; V473-L514 HydrophobicContact CG2-CD1 3.96Å; V473-L514 HydrophobicContact CG2-CG 4.14Å
474E91.5Very high90.9Very high88 Ų8860.2 Ų60.241%0.41134%0.339SS..THydrogen-bonded Turntrans-50.4126.3178.9-175.4177.9-136.400111.6Y476 E477 R512 K513 L515E474-Y476 VanDerWaalsContact C-N 3.3Å; E474-Y476 PolarHBondContact O-N 2.68Å; E474-E477 WeakPolarHBondContact CA-OE1 3.33Å; E474-R512 HydrophobicContact CB-CB 4.23Å; E474-R512 WeakPolarHBondContact O-CD 3.22Å; E474-R512 PolarHBondContact O-NH1 3.43Å; E474-K513 PolarHBondContact N-O 3.01Å; E474-L515 HydrophobicContact CB-CD1 3.97Å; E474-L515 HydrophobicContact CG-CD1 4.41Å
475G86.2Confident91Very high44 Ų4457.7 Ų57.745%0.45431%0.311SS..THydrogen-bonded Turntrans71.316.7-175.100000115.5V473 E477 R512V473-G475 PolarHBondContact O-N 3.31Å; G475-E477 VanDerWaalsContact C-OE2 3.3Å; G475-E477 WeakPolarHBondContact CA-OE2 3.28Å; G475-E477 PolarHBondContact N-OE1 3.12Å; G475-E477 PolarHBondContact N-OE2 2.79Å; G475-R512 PolarHBondContact O-NH1 2.98Å
476Y90.3Very high90.6Very high51 Ų5160.2 Ų60.220%0.232%0.323CS..  trans-130.219.6170.6-69.5-87.7000112.4A368 P369 V473 E474 S478 G479 W509 R512A368-Y476 HydrophobicContact CB-CD1 4.19Å; A368-Y476 HydrophobicContact CB-CE1 4.14Å; P369-Y476 HydrophobicContact CG-CD1 4.18Å; P369-Y476 HydrophobicContact CG-CD2 3.79Å; P369-Y476 HydrophobicContact CG-CE2 4.18Å; P369-Y476 HydrophobicContact CG-CG 3.79Å; V473-Y476 HydrophobicContact CB-CD2 4.35Å; V473-Y476 HydrophobicContact CG1-CD2 4.01Å; V473-Y476 WeakPolarHBondContact O-CA 3.17Å; V473-Y476 WeakPolarHBondContact O-CB 3.38Å; V473-Y476 PolarHBondContact O-N 3.36Å; E474-Y476 VanDerWaalsContact C-N 3.3Å; E474-Y476 PolarHBondContact O-N 2.68Å; Y476-S478 PolarHBondContact O-N 2.85Å; Y476-G479 PolarHBondContact O-N 2.81Å; Y476-G479 VanDerWaalsContact O-N 3.13Å; Y476-W509 HydrophobicContact CE2-CE3 4.19Å; Y476-W509 AromaticContact CE2-CZ3 3.69Å; Y476-W509 HydrophobicContact CE2-CZ3 3.69Å; Y476-W509 AromaticContact CZ-CZ3 3.81Å; Y476-R512 VanDerWaalsContact CE2-NH1 3.33Å
477E85.3Confident90.1Very high91 Ų9160.8 Ų60.843%0.42533%0.325SS..THydrogen-bonded Turntrans-63.8-28.7-172.9-59.483.5175.900112.9L472 E474 G475 G479L472-E477 HydrophobicContact CB-CG 4.36Å; L472-E477 HydrophobicContact CD1-CB 4.06Å; L472-E477 HydrophobicContact CD1-CG 4.15Å; E474-E477 WeakPolarHBondContact CA-OE1 3.33Å; G475-E477 VanDerWaalsContact C-OE2 3.3Å; G475-E477 WeakPolarHBondContact CA-OE2 3.28Å; G475-E477 PolarHBondContact N-OE1 3.12Å; G475-E477 PolarHBondContact N-OE2 2.79Å; E477-G479 VanDerWaalsContact C-N 3.28Å; E477-G479 PolarHBondContact O-N 2.8Å
478S79.7Confident89.3Confident84 Ų8467.8 Ų67.859%0.58735%0.351SS*.THydrogen-bonded Turntrans-80.7-3.6179.7630000114.1Y476Y476-S478 PolarHBondContact O-N 2.85Å
479G80.3Confident88.9Confident9 Ų970.8 Ų70.89%0.09336%0.357CS..PPolyproline II helixtrans-82.6147.4-176.900000113.8R470 Y476 E477R470-G479 PolarHBondContact NH1-O 2.82Å; R470-G479 PolarHBondContact NH2-O 2.87Å; Y476-G479 PolarHBondContact O-N 2.81Å; Y476-G479 VanDerWaalsContact O-N 3.13Å; E477-G479 VanDerWaalsContact C-N 3.28Å; E477-G479 PolarHBondContact O-N 2.8Å
480K85.9Confident88.5Confident155 Ų15575.5 Ų75.567%0.67438%0.377SS*.PPolyproline II helixtrans-99.5142.9177.6-168.7178.4175.1-173.30110.7S370S370-K480 CarbonylContact O-C 3.55Å; S370-K480 VanDerWaalsContact O-C 3.25Å; S370-K480 VanDerWaalsContact O-O 3.08Å
481A90.5Very high88.3Confident19 Ų1972.3 Ų72.316%0.15737%0.366CS..PPolyproline II helixtrans-76.8147.1174.900000110.5S370 D373S370-A481 WeakPolarHBondContact O-CA 3.26Å; S370-A481 PolarHBondContact O-N 2.76Å; D373-A481 HydrophobicContact CB-CB 3.76Å
482D91.1Very high88.2Confident27 Ų2772.5 Ų72.514%0.14437%0.365CS..PPolyproline II helixtrans-65.7141.1171.8-62.711.3000108.5R371 N429 K484 L485R371-D482 WeakPolarHBondContact CB-OD1 3.27Å; R371-D482 WeakPolarHBondContact CG-OD1 3.34Å; R371-D482 IonicContact CZ-OD1 3.65Å; R371-D482 IonicContact CZ-OD2 2.68Å; R371-D482 VanDerWaalsContact CZ-OD2 3.29Å; R371-D482 IonicContact NE-OD1 2.91Å; R371-D482 PolarHBondContact NE-OD1 2.85Å; R371-D482 IonicContact NE-OD2 2.89Å; R371-D482 PolarHBondContact NE-OD2 3.29Å; R371-D482 IonicContact NH2-OD1 3.73Å; R371-D482 IonicContact NH2-OD2 3.24Å; R371-D482 PolarHBondContact NH2-OD2 3.04Å; R371-D482 PolarHBondContact O-N 3.19Å; N429-D482 WeakPolarHBondContact CB-O 3.43Å; N429-D482 PolarHBondContact ND2-O 3.16Å; D482-K484 PolarHBondContact O-N 2.8Å; D482-L485 HydrophobicContact CB-CD2 4.04Å
483E89.8Confident88.2Confident187 Ų18774.7 Ų74.787%0.87437%0.374SS*.SBendtrans-59.4-36.9173.4-67.7-177175.300111.6
484K92.3Very high88.1Confident119 Ų11979.7 Ų79.752%0.51740%0.395SS..SBendtrans-154.8130173.2-162.2168.4-169.31640110.8N429 D482N429-K484 CarbonylContact O-C 3.58Å; N429-K484 WeakPolarHBondContact O-CA 3.25Å; D482-K484 PolarHBondContact O-N 2.8Å
485L91.1Very high88.2Confident7 Ų775.5 Ų75.54%0.03738%0.376CS..  trans-69.2134177-62.7175.2000110.6L372 N429 L430 D482 P487 V491 W492L372-L485 HydrophobicContact CD2-CD1 3.75Å; L372-L485 HydrophobicContact CD2-CD2 4.47Å; N429-L485 PolarHBondContact O-N 3.5Å; N429-L485 WeakPolarHBondContact OD1-CD1 3.34Å; L430-L485 HydrophobicContact CD2-CD1 3.87Å; L430-L485 HydrophobicContact CG-CD1 4.42Å; D482-L485 HydrophobicContact CB-CD2 4.04Å; L485-P487 VanDerWaalsContact O-CD 3.29Å; L485-P487 WeakPolarHBondContact O-CD 3.4Å; L485-V491 HydrophobicContact CD2-CB 4.14Å; L485-V491 HydrophobicContact CD2-CG1 3.92Å; L485-W492 HydrophobicContact CD1-CB 4.15Å
486N85.1Confident88.7Confident71 Ų7175.9 Ų75.938%0.3837%0.365SS..  trans-79.2115.5177.4-175.8-26.4000110.9K488 K489N486-K488 PolarHBondContact O-N 3.12Å; N486-K488 VanDerWaalsContact O-N 3.14Å; N486-K488 WeakPolarHBondContact OD1-CB 3.29Å; N486-K488 PolarHBondContact OD1-N 2.96Å; N486-K489 HydrophobicContact CB-CB 4.28Å; N486-K489 HydrophobicContact CB-CD 4.16Å; N486-K489 HydrophobicContact CB-CG 4.08Å; N486-K489 PolarHBondContact O-N 3.26Å
487P82.6Confident88.7Confident82 Ų8276.5 Ų76.553%0.53238%0.381SS..G310 helixtrans-60.5-28-177.5-2434.9000114K431 L485 K489K431-P487 HydrophobicContact CB-CG 4.24Å; K431-P487 HydrophobicContact CD-CG 4.19Å; L485-P487 VanDerWaalsContact O-CD 3.29Å; L485-P487 WeakPolarHBondContact O-CD 3.4Å; P487-K489 VanDerWaalsContact C-N 3.33Å; P487-K489 PolarHBondContact O-N 3.27Å
488K81.5Confident89.1Confident195 Ų19574.8 Ų74.885%0.84838%0.375SS*.G310 helixtrans-72.5-26.7178.8-64.1-175.1178.5-178.70112.7N486 K490N486-K488 PolarHBondContact O-N 3.12Å; N486-K488 VanDerWaalsContact O-N 3.14Å; N486-K488 WeakPolarHBondContact OD1-CB 3.29Å; N486-K488 PolarHBondContact OD1-N 2.96Å; K488-K490 VanDerWaalsContact C-N 3.34Å
489K84.9Confident89.9Confident87 Ų8770.9 Ų70.938%0.37835%0.348SS..G310 helixtrans-80.9-14.8-179.3-71.2-172.2179.2-1790112.9N486 P487 V491 K494N486-K489 HydrophobicContact CB-CB 4.28Å; N486-K489 HydrophobicContact CB-CD 4.16Å; N486-K489 HydrophobicContact CB-CG 4.08Å; N486-K489 PolarHBondContact O-N 3.26Å; P487-K489 VanDerWaalsContact C-N 3.33Å; P487-K489 PolarHBondContact O-N 3.27Å; K489-V491 VanDerWaalsContact C-N 3.29Å; K489-V491 HydrophobicContact CB-CG2 3.69Å; K489-V491 HydrophobicContact CD-CG2 4.49Å; K489-V491 PolarHBondContact O-N 3.44Å; K489-K494 PolarHBondContact O-NZ 3.39Å
490K89.3Confident90.7Very high127 Ų12775 Ų7555%0.55236%0.363SS*.THydrogen-bonded Turntrans50.344.4-175.7-61.7-171.9176.7-1730113.2K488 E493 K494K488-K490 VanDerWaalsContact C-N 3.34Å; K490-E493 WeakPolarHBondContact CA-OE2 3.38Å; K490-E493 HydrophobicContact CB-CB 4.38Å; K490-E493 WeakPolarHBondContact CB-OE2 3.32Å; K490-K494 WeakPolarHBondContact O-CB 3.49Å; K490-K494 WeakPolarHBondContact O-CD 3.47Å; K490-K494 WeakPolarHBondContact O-CG 3.48Å; K490-K494 PolarHBondContact O-N 2.91Å; K490-K494 VanDerWaalsContact O-N 3.13Å
491V91.5Very high91.3Very high5 Ų567.8 Ų67.83%0.0333%0.332CS..Hα-helixtrans-66.7-45.7-172.9179.20000111L367 L485 K489 K494 L495L367-V491 HydrophobicContact CD1-CG1 4.35Å; L485-V491 HydrophobicContact CD2-CB 4.14Å; L485-V491 HydrophobicContact CD2-CG1 3.92Å; K489-V491 VanDerWaalsContact C-N 3.29Å; K489-V491 HydrophobicContact CB-CG2 3.69Å; K489-V491 HydrophobicContact CD-CG2 4.49Å; K489-V491 PolarHBondContact O-N 3.44Å; V491-K494 PolarHBondContact O-N 3.02Å; V491-L495 HydrophobicContact CG1-CD1 3.84Å; V491-L495 WeakPolarHBondContact O-CB 3.45Å; V491-L495 WeakPolarHBondContact O-CG 3.35Å; V491-L495 PolarHBondContact O-N 2.99Å
492W94.3Very high91.5Very high14 Ų1467.4 Ų67.45%0.05333%0.328CS..Hα-helixtrans-59-52.5176.6167.3-119.3000110.8L372 L427 L430 M443 L445 L485 K494 L495 Q496 L499L372-W492 HydrophobicContact CD1-CE3 3.93Å; L372-W492 HydrophobicContact CD1-CZ3 3.84Å; L372-W492 HydrophobicContact CD2-CE3 3.91Å; L427-W492 HydrophobicContact CD2-CD2 3.62Å; L427-W492 HydrophobicContact CD2-CE3 3.4Å; L427-W492 VanDerWaalsContact CD2-CE3 3.4Å; L427-W492 HydrophobicContact CD2-CG 4.26Å; L427-W492 HydrophobicContact CD2-CH2 4.11Å; L427-W492 HydrophobicContact CD2-CZ2 4.29Å; L427-W492 HydrophobicContact CD2-CZ3 3.68Å; L430-W492 HydrophobicContact CD2-CB 3.92Å; L430-W492 HydrophobicContact CD2-CG 4.16Å; M443-W492 HydrophobicContact SD-CZ2 3.86Å; L445-W492 HydrophobicContact CD2-CH2 3.56Å; L445-W492 HydrophobicContact CD2-CZ2 3.99Å; L445-W492 HydrophobicContact CD2-CZ3 4.47Å; L485-W492 HydrophobicContact CD1-CB 4.15Å; W492-K494 VanDerWaalsContact C-N 3.27Å; W492-K494 PolarHBondContact O-N 3.15Å; W492-L495 PolarHBondContact O-N 3.01Å; W492-Q496 HydrophobicContact CD2-CB 4.14Å; W492-Q496 HydrophobicContact CE3-CB 4.27Å; W492-Q496 HydrophobicContact CH2-CB 4.23Å; W492-Q496 HydrophobicContact CH2-CG 4.03Å; W492-Q496 HydrophobicContact CZ2-CB 4.09Å; W492-Q496 HydrophobicContact CZ2-CG 3.73Å; W492-Q496 HydrophobicContact CZ3-CB 4.31Å; W492-Q496 WeakPolarHBondContact O-CB 3.03Å; W492-Q496 PolarHBondContact O-N 2.7Å; W492-L499 HydrophobicContact CH2-CD1 3.82Å; W492-L499 HydrophobicContact CZ3-CD1 3.61Å
493E94.3Very high91.5Very high97 Ų9771.3 Ų71.345%0.45335%0.349SS..Hα-helixtrans-61.4-36.7-176.2-6186.2161.500112.2K490 A497K490-E493 WeakPolarHBondContact CA-OE2 3.38Å; K490-E493 HydrophobicContact CB-CB 4.38Å; K490-E493 WeakPolarHBondContact CB-OE2 3.32Å; E493-A497 PolarHBondContact O-N 2.79Å
494K92.6Very high91.7Very high115 Ų11569 Ų6950%0.534%0.338SS..Hα-helixtrans-70.3-38.5175.9-71.4170.4-179.6167.30112.5L367 K489 K490 V491 W492L367-K494 HydrophobicContact CD1-CB 3.72Å; L367-K494 HydrophobicContact CD1-CD 3.72Å; L367-K494 HydrophobicContact CD1-CG 4.41Å; L367-K494 HydrophobicContact CD2-CB 3.56Å; L367-K494 HydrophobicContact CG-CB 4.26Å; K489-K494 PolarHBondContact O-NZ 3.39Å; K490-K494 WeakPolarHBondContact O-CB 3.49Å; K490-K494 WeakPolarHBondContact O-CD 3.47Å; K490-K494 WeakPolarHBondContact O-CG 3.48Å; K490-K494 PolarHBondContact O-N 2.91Å; K490-K494 VanDerWaalsContact O-N 3.13Å; V491-K494 PolarHBondContact O-N 3.02Å; W492-K494 VanDerWaalsContact C-N 3.27Å; W492-K494 PolarHBondContact O-N 3.15Å
495L94Very high91.9Very high0 Ų064.1 Ų64.10%032%0.319CS..Hα-helixtrans-77-37.5178.6-73.5172.2000112.1L367 A368 L372 V491 W492 A497 D498 L499 W509L367-L495 HydrophobicContact CD1-CG 4.42Å; L367-L495 HydrophobicContact CD2-CD2 3.7Å; L367-L495 HydrophobicContact CD2-CG 3.98Å; L367-L495 HydrophobicContact CG-CD2 3.69Å; L367-L495 HydrophobicContact CG-CG 3.85Å; A368-L495 WeakPolarHBondContact O-CD1 3.13Å; L372-L495 HydrophobicContact CD1-CB 4.15Å; L372-L495 HydrophobicContact CD1-CD1 4.05Å; L372-L495 HydrophobicContact CD2-CD1 3.8Å; L372-L495 HydrophobicContact CG-CD1 3.72Å; V491-L495 HydrophobicContact CG1-CD1 3.84Å; V491-L495 WeakPolarHBondContact O-CB 3.45Å; V491-L495 WeakPolarHBondContact O-CG 3.35Å; V491-L495 PolarHBondContact O-N 2.99Å; W492-L495 PolarHBondContact O-N 3.01Å; L495-A497 VanDerWaalsContact C-N 3.27Å; L495-A497 PolarHBondContact O-N 3.29Å; L495-D498 PolarHBondContact O-N 2.85Å; L495-D498 VanDerWaalsContact O-N 3.16Å; L495-L499 PolarHBondContact O-N 2.87Å; L495-W509 HydrophobicContact CD2-CZ2 3.6Å; L495-W509 PolarHBondContact O-NE1 3.27Å; L495-W509 VanDerWaalsContact O-NE1 3.07Å
496Q95.7Very high92.2Very high51 Ų5164 Ų6424%0.23832%0.318CS..Hα-helixtrans-60.1-35.9178.2-173.1-162.9-2.900112W492 D498 L499 I531W492-Q496 HydrophobicContact CD2-CB 4.14Å; W492-Q496 HydrophobicContact CE3-CB 4.27Å; W492-Q496 HydrophobicContact CH2-CB 4.23Å; W492-Q496 HydrophobicContact CH2-CG 4.03Å; W492-Q496 HydrophobicContact CZ2-CB 4.09Å; W492-Q496 HydrophobicContact CZ2-CG 3.73Å; W492-Q496 HydrophobicContact CZ3-CB 4.31Å; W492-Q496 WeakPolarHBondContact O-CB 3.03Å; W492-Q496 PolarHBondContact O-N 2.7Å; Q496-D498 PolarHBondContact O-N 2.86Å; Q496-L499 PolarHBondContact O-N 3.13Å; Q496-I531 VanDerWaalsContact CG-O 3.27Å; Q496-I531 WeakPolarHBondContact CG-O 3.38Å; Q496-I531 PolarHBondContact NE2-O 3.24Å
497A92.1Very high92.8Very high65 Ų6560.6 Ų60.654%0.53730%0.3SS..THydrogen-bonded Turntrans-55.3-24.5177.100000113.7E493 L495E493-A497 PolarHBondContact O-N 2.79Å; L495-A497 VanDerWaalsContact C-N 3.27Å; L495-A497 PolarHBondContact O-N 3.29Å
498D93.8Very high93.5Very high55 Ų5558.2 Ų58.229%0.29428%0.282SS..THydrogen-bonded Turntrans-104.6-2.1178.7-69-49.8000113.5L495 Q496 W509 K510L495-D498 PolarHBondContact O-N 2.85Å; L495-D498 VanDerWaalsContact O-N 3.16Å; Q496-D498 PolarHBondContact O-N 2.86Å; D498-W509 HydrophobicContact CB-CG 4.48Å; D498-W509 WeakPolarHBondContact O-CA 3.39Å; D498-K510 HydrophobicContact CB-CG 3.67Å; D498-K510 PolarHBondContact O-N 3.45Å; D498-K510 VanDerWaalsContact O-N 3.14Å; D498-K510 WeakPolarHBondContact OD2-CE 3.47Å; D498-K510 IonicContact OD2-NZ 3.48Å
499L96.1Very high94.1Very high1 Ų149 Ų491%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-84116.1174.3-73.3174.6000110.8L372 W492 L495 Q496 Q508 W509 L514 I531L372-L499 HydrophobicContact CD1-CD1 4.45Å; W492-L499 HydrophobicContact CH2-CD1 3.82Å; W492-L499 HydrophobicContact CZ3-CD1 3.61Å; L495-L499 PolarHBondContact O-N 2.87Å; Q496-L499 PolarHBondContact O-N 3.13Å; L499-Q508 CarbonylContact C-O 3.58Å; L499-Q508 WeakPolarHBondContact CA-O 3.48Å; L499-W509 HydrophobicContact CD2-CB 3.75Å; L499-W509 HydrophobicContact CD2-CG 4.14Å; L499-L514 HydrophobicContact CD2-CD1 4.02Å; L499-L514 HydrophobicContact CD2-CD2 4.31Å; L499-I531 HydrophobicContact CB-CB 3.88Å; L499-I531 HydrophobicContact CB-CD1 4.23Å; L499-I531 HydrophobicContact CB-CG1 4.43Å; L499-I531 PolarHBondContact O-N 3.46Å
500K96.6Very high94.4Very high96 Ų9650 Ų5042%0.41725%0.246SC..EExtended strand (participates in β ladder)trans-140.8167.8-173-63.8-169.1176.5-1730112.4Q508 G529 I531K500-Q508 HydrophobicContact CB-CG 4.44Å; K500-Q508 PolarHBondContact N-O 2.87Å; K500-Q508 VanDerWaalsContact O-CG 3.27Å; K500-Q508 WeakPolarHBondContact O-CG 3.41Å; K500-Q508 PolarHBondContact O-N 3.14Å; K500-G529 CarbonylContact C-O 3.49Å; K500-G529 WeakPolarHBondContact CA-O 3.39Å; K500-G529 WeakPolarHBondContact CB-O 3.49Å; K500-I531 WeakPolarHBondContact O-CD1 3.19Å
501I97.4Very high94.4Very high3 Ų350.3 Ų50.32%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-102.4131168.8-57.3-58.5000109.8A447 L459 V506 A507 L526 G528 G529 I531A447-I501 HydrophobicContact CB-CD1 3.9Å; A447-I501 HydrophobicContact CB-CG1 3.61Å; L459-I501 HydrophobicContact CD2-CD1 3.77Å; I501-V506 CarbonylContact C-O 3.53Å; I501-V506 WeakPolarHBondContact CA-O 3.15Å; I501-A507 HydrophobicContact CD1-CB 4.05Å; I501-L526 WeakPolarHBondContact CG2-O 3.39Å; I501-G528 VanDerWaalsContact O-CA 3.23Å; I501-G528 WeakPolarHBondContact O-CA 3.33Å; I501-G528 PolarHBondContact O-N 2.81Å; I501-G528 VanDerWaalsContact O-N 3.09Å; I501-G529 PolarHBondContact N-O 3.43Å; I501-I531 HydrophobicContact CD1-CD1 3.92Å; I501-I531 HydrophobicContact CD1-CG1 3.85Å; I501-I531 HydrophobicContact CG1-CG1 4.27Å
502S95.1Very high94.5Very high12 Ų1254.6 Ų54.68%0.08427%0.269CS..  trans-72.1175.5175.185.50000112.4E504 C505 V506S502-E504 WeakPolarHBondContact CB-OE2 3.42Å; S502-E504 PolarHBondContact O-N 3.09Å; S502-E504 PolarHBondContact OG-N 3.34Å; S502-E504 PolarHBondContact OG-OE2 2.88Å; S502-C505 PolarHBondContact O-N 3.39Å; S502-V506 PolarHBondContact N-O 3.17Å; S502-V506 PolarHBondContact OG-N 3.35Å
503D92.3Very high94.7Very high109 Ų10957.7 Ų57.758%0.58328%0.283SS*.THydrogen-bonded Turntrans-70.9-13175.8-69-32.7000113.2K527D503-K527 WeakPolarHBondContact O-CD 3.23Å; D503-K527 WeakPolarHBondContact O-CE 3.23Å; D503-K527 PolarHBondContact O-NZ 2.76Å
504E93.9Very high94.8Very high137 Ų13753.3 Ų53.364%0.6426%0.263SS*.THydrogen-bonded Turntrans-9715.2173.8-53.575.4-160.400112.9S502 V506S502-E504 WeakPolarHBondContact CB-OE2 3.42Å; S502-E504 PolarHBondContact O-N 3.09Å; S502-E504 PolarHBondContact OG-N 3.34Å; S502-E504 PolarHBondContact OG-OE2 2.88Å; E504-V506 VanDerWaalsContact C-N 3.26Å; E504-V506 HydrophobicContact CB-CG2 4.14Å; E504-V506 PolarHBondContact O-N 2.52Å
505C95.8Very high95Very high17 Ų1749.7 Ų49.712%0.11525%0.249CC..SBendtrans61.330-178.6-50.50000113.7S502 T522 C523 L526S502-C505 PolarHBondContact O-N 3.39Å; C505-T522 CarbonylContact O-C 3.52Å; C505-T522 VanDerWaalsContact O-CA 3.23Å; C505-T522 WeakPolarHBondContact O-CA 3.32Å; C505-T522 WeakPolarHBondContact O-CB 3.42Å; C505-C523 WeakPolarHBondContact CB-O 3.41Å; C505-C523 PolarHBondContact O-N 3.32Å; C505-L526 PolarHBondContact SG-O 3.11Å; C505-L526 VanDerWaalsContact SG-O 3.39Å
506V97.1Very high95Very high5 Ų550.3 Ų50.33%0.0325%0.253CS..BIsolated β-bridgetrans-99.8132.7179.6-175.10000110.3I501 S502 E504 K513 Q520 T522I501-V506 CarbonylContact C-O 3.53Å; I501-V506 WeakPolarHBondContact CA-O 3.15Å; S502-V506 PolarHBondContact N-O 3.17Å; S502-V506 PolarHBondContact OG-N 3.35Å; E504-V506 VanDerWaalsContact C-N 3.26Å; E504-V506 HydrophobicContact CB-CG2 4.14Å; E504-V506 PolarHBondContact O-N 2.52Å; V506-K513 HydrophobicContact CG1-CB 4.46Å; V506-K513 HydrophobicContact CG1-CD 4.32Å; V506-K513 HydrophobicContact CG1-CG 4.09Å; V506-Q520 HydrophobicContact CG1-CB 4.13Å; V506-Q520 HydrophobicContact CG1-CG 4.32Å; V506-Q520 VanDerWaalsContact CG2-NE2 3.28Å; V506-T522 HydrophobicContact CG2-CG2 4.47Å
507A97.5Very high94.7Very high0 Ų057.2 Ų57.20%028%0.282CS..EExtended strand (participates in β ladder)trans-72.8129.4174.300000110.7L459 I501 L514 I521 I531L459-A507 HydrophobicContact CD1-CB 4.35Å; L459-A507 HydrophobicContact CD2-CB 4.37Å; I501-A507 HydrophobicContact CD1-CB 4.05Å; A507-L514 HydrophobicContact CB-CB 4.24Å; A507-L514 HydrophobicContact CB-CD2 4.3Å; A507-L514 PolarHBondContact O-N 2.85Å; A507-I521 HydrophobicContact CB-CB 4.03Å; A507-I521 HydrophobicContact CB-CG2 3.87Å; A507-I521 PolarHBondContact N-O 2.86Å; A507-I531 HydrophobicContact CB-CD1 3.69Å
508Q96.8Very high94.7Very high31 Ų3158.9 Ų58.915%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-141.7150.8-174.957.2178.614.700112.8L499 K500 R512L499-Q508 CarbonylContact C-O 3.58Å; L499-Q508 WeakPolarHBondContact CA-O 3.48Å; K500-Q508 HydrophobicContact CB-CG 4.44Å; K500-Q508 PolarHBondContact N-O 2.87Å; K500-Q508 VanDerWaalsContact O-CG 3.27Å; K500-Q508 WeakPolarHBondContact O-CG 3.41Å; K500-Q508 PolarHBondContact O-N 3.14Å; Q508-R512 CarbonylContact C-O 3.55Å; Q508-R512 WeakPolarHBondContact CA-O 3.2Å; Q508-R512 WeakPolarHBondContact CB-O 3.14Å
509W95.4Very high94.7Very high3 Ų357.6 Ų57.61%0.01128%0.281CS..EExtended strand (participates in β ladder)trans-117.5118.5167.4-175.679.7000109P369 V473 Y476 L495 D498 L499 D511 R512 L514P369-W509 HydrophobicContact CB-CD2 3.85Å; P369-W509 HydrophobicContact CB-CE3 4.18Å; P369-W509 HydrophobicContact CB-CG 4.03Å; P369-W509 HydrophobicContact CG-CD2 3.82Å; P369-W509 HydrophobicContact CG-CE3 3.6Å; P369-W509 HydrophobicContact CG-CG 4.41Å; P369-W509 HydrophobicContact CG-CH2 4.3Å; P369-W509 HydrophobicContact CG-CZ3 3.86Å; V473-W509 HydrophobicContact CG1-CB 4.09Å; V473-W509 HydrophobicContact CG1-CE3 4.37Å; V473-W509 HydrophobicContact CG2-CB 4.22Å; Y476-W509 HydrophobicContact CE2-CE3 4.19Å; Y476-W509 AromaticContact CE2-CZ3 3.69Å; Y476-W509 HydrophobicContact CE2-CZ3 3.69Å; Y476-W509 AromaticContact CZ-CZ3 3.81Å; L495-W509 HydrophobicContact CD2-CZ2 3.6Å; L495-W509 PolarHBondContact O-NE1 3.27Å; L495-W509 VanDerWaalsContact O-NE1 3.07Å; D498-W509 HydrophobicContact CB-CG 4.48Å; D498-W509 WeakPolarHBondContact O-CA 3.39Å; L499-W509 HydrophobicContact CD2-CB 3.75Å; L499-W509 HydrophobicContact CD2-CG 4.14Å; W509-D511 VanDerWaalsContact C-N 3.29Å; W509-D511 PolarHBondContact O-N 3.3Å; W509-R512 PolarHBondContact N-O 3.41Å; W509-R512 VanDerWaalsContact O-CB 3.28Å; W509-R512 WeakPolarHBondContact O-CB 3.43Å; W509-R512 PolarHBondContact O-N 2.7Å; W509-L514 HydrophobicContact CB-CD1 4.18Å
510K91.2Very high94.7Very high108 Ų10860.9 Ų60.947%0.4730%0.296SS..THydrogen-bonded Turntrans46.250.4-174.1-60.7-170.2179.9173.70113.4D498 R512D498-K510 HydrophobicContact CB-CG 3.67Å; D498-K510 PolarHBondContact O-N 3.45Å; D498-K510 VanDerWaalsContact O-N 3.14Å; D498-K510 WeakPolarHBondContact OD2-CE 3.47Å; D498-K510 IonicContact OD2-NZ 3.48Å; K510-R512 PolarHBondContact O-N 3.2Å; K510-R512 VanDerWaalsContact O-N 3.16Å
511D89.4Confident94.8Very high133 Ų13356.3 Ų56.371%0.71128%0.276SS*.THydrogen-bonded Turntrans64.112.7-178.8-47.2-46.7000115W509W509-D511 VanDerWaalsContact C-N 3.29Å; W509-D511 PolarHBondContact O-N 3.3Å
512R94.1Very high94.8Very high94 Ų9458.3 Ų58.336%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-104.9132.3174.2-55.8-153.8-174.9-175.1-1.3110.8V473 E474 G475 Y476 Q508 W509 K510V473-R512 HydrophobicContact CG1-CB 3.73Å; E474-R512 HydrophobicContact CB-CB 4.23Å; E474-R512 WeakPolarHBondContact O-CD 3.22Å; E474-R512 PolarHBondContact O-NH1 3.43Å; G475-R512 PolarHBondContact O-NH1 2.98Å; Y476-R512 VanDerWaalsContact CE2-NH1 3.33Å; Q508-R512 CarbonylContact C-O 3.55Å; Q508-R512 WeakPolarHBondContact CA-O 3.2Å; Q508-R512 WeakPolarHBondContact CB-O 3.14Å; W509-R512 PolarHBondContact N-O 3.41Å; W509-R512 VanDerWaalsContact O-CB 3.28Å; W509-R512 WeakPolarHBondContact O-CB 3.43Å; W509-R512 PolarHBondContact O-N 2.7Å; K510-R512 PolarHBondContact O-N 3.2Å; K510-R512 VanDerWaalsContact O-N 3.16Å
513K96.7Very high94.8Very high80 Ų8058 Ų5835%0.34829%0.287SS..EExtended strand (participates in β ladder)trans-68.6143.7-172.3-60.7-179179-169.80112.1V473 E474 V506 L515V473-K513 WeakPolarHBondContact CA-O 3.16Å; E474-K513 PolarHBondContact N-O 3.01Å; V506-K513 HydrophobicContact CG1-CB 4.46Å; V506-K513 HydrophobicContact CG1-CD 4.32Å; V506-K513 HydrophobicContact CG1-CG 4.09Å; K513-L515 HydrophobicContact CB-CD2 3.76Å; K513-L515 HydrophobicContact CB-CG 4.16Å; K513-L515 HydrophobicContact CD-CD2 4.49Å
514L97.5Very high94.8Very high4 Ų460.3 Ų60.32%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-81.6132.2161.9-84.266.5000108.2V471 L472 V473 L499 A507 W509 Q520 I521V471-L514 HydrophobicContact CG1-CB 3.86Å; V471-L514 HydrophobicContact CG1-CD2 4.17Å; V471-L514 HydrophobicContact CG1-CG 4.08Å; L472-L514 CarbonylContact O-C 3.59Å; L472-L514 WeakPolarHBondContact O-CA 3.21Å; V473-L514 HydrophobicContact CG2-CD1 3.96Å; V473-L514 HydrophobicContact CG2-CG 4.14Å; L499-L514 HydrophobicContact CD2-CD1 4.02Å; L499-L514 HydrophobicContact CD2-CD2 4.31Å; A507-L514 HydrophobicContact CB-CB 4.24Å; A507-L514 HydrophobicContact CB-CD2 4.3Å; A507-L514 PolarHBondContact O-N 2.85Å; W509-L514 HydrophobicContact CB-CD1 4.18Å; L514-Q520 WeakPolarHBondContact O-CA 3.32Å; L514-I521 HydrophobicContact CB-CB 4.01Å; L514-I521 HydrophobicContact CB-CG1 3.85Å; L514-I521 PolarHBondContact O-N 2.79Å
515L95.8Very high94.7Very high39 Ų3957.9 Ų57.920%0.20429%0.286CS..EExtended strand (participates in β ladder)trans-135.4144.5-169-55.9172.5000111.2V471 L472 E474 K513 G519 Q520V471-L515 WeakPolarHBondContact CA-O 3.29Å; L472-L515 PolarHBondContact N-O 2.86Å; L472-L515 PolarHBondContact O-N 2.9Å; E474-L515 HydrophobicContact CB-CD1 3.97Å; E474-L515 HydrophobicContact CG-CD1 4.41Å; K513-L515 HydrophobicContact CB-CD2 3.76Å; K513-L515 HydrophobicContact CB-CG 4.16Å; K513-L515 HydrophobicContact CD-CD2 4.49Å; L515-G519 CarbonylContact C-O 3.57Å; L515-G519 WeakPolarHBondContact CA-O 3.46Å; L515-Q520 HydrophobicContact CD2-CB 3.86Å
516T94.9Very high94.6Very high14 Ų1457.2 Ų57.29%0.08628%0.281CS..EExtended strand (participates in β ladder)trans-102.8-178.2155.972.60000109.2V376 E469 V471 L518 G519 I521V376-T516 HydrophobicContact CG2-CG2 3.89Å; E469-T516 WeakPolarHBondContact OE1-CB 3.43Å; V471-T516 HydrophobicContact CG2-CG2 4.45Å; T516-L518 PolarHBondContact O-N 3.07Å; T516-L518 PolarHBondContact OG1-N 2.9Å; T516-G519 PolarHBondContact N-O 2.76Å; T516-G519 PolarHBondContact O-N 3.45Å; T516-I521 HydrophobicContact CG2-CD1 3.6Å
517K90Very high94.3Very high195 Ų19562.7 Ų62.785%0.84831%0.305SS*.THydrogen-bonded Turntrans-62.8-23.2172.4-65.9175-178.6175.10112.8E469E469-K517 VanDerWaalsContact OE1-CB 3.25Å; E469-K517 WeakPolarHBondContact OE1-CB 3.36Å; E469-K517 WeakPolarHBondContact OE1-CG 3.37Å; E469-K517 PolarHBondContact OE1-N 2.95Å
518L91.8Very high93.7Very high101 Ų10165.3 Ų65.353%0.52933%0.332SS..THydrogen-bonded Turntrans-95-12.7-175-65.4177.3000113.5P462 G464 T516P462-L518 HydrophobicContact CB-CB 3.85Å; P462-L518 HydrophobicContact CG-CB 4.35Å; G464-L518 WeakPolarHBondContact O-CD1 3.45Å; T516-L518 PolarHBondContact O-N 3.07Å; T516-L518 PolarHBondContact OG1-N 2.9Å
519G92.7Very high93.3Very high27 Ų2764 Ų6428%0.27833%0.327SS..EExtended strand (participates in β ladder)trans148.3-163.2177.900000114P462 L515 T516P462-G519 VanDerWaalsContact CG-C 3.43Å; L515-G519 CarbonylContact C-O 3.57Å; L515-G519 WeakPolarHBondContact CA-O 3.46Å; T516-G519 PolarHBondContact N-O 2.76Å; T516-G519 PolarHBondContact O-N 3.45Å
520Q96.6Very high93.2Very high70 Ų7066.8 Ų66.833%0.32734%0.342SS..EExtended strand (participates in β ladder)trans-80.7146-175.365.2-17427.700113P462 V506 L514 L515 T522P462-Q520 WeakPolarHBondContact CG-O 3.45Å; V506-Q520 HydrophobicContact CG1-CB 4.13Å; V506-Q520 HydrophobicContact CG1-CG 4.32Å; V506-Q520 VanDerWaalsContact CG2-NE2 3.28Å; L514-Q520 WeakPolarHBondContact O-CA 3.32Å; L515-Q520 HydrophobicContact CD2-CB 3.86Å; Q520-T522 HydrophobicContact CG-CG2 4.02Å
521I98Very high93.5Very high0 Ų061.7 Ų61.70%032%0.32CS..  trans-76.5133.8170-54.6-56.9000108.9L425 L459 P461 V471 A507 L514 T516L425-I521 HydrophobicContact CD1-CD1 4.02Å; L425-I521 HydrophobicContact CD2-CD1 4.23Å; L425-I521 HydrophobicContact CD2-CG2 3.85Å; L425-I521 HydrophobicContact CG-CD1 4.29Å; L425-I521 HydrophobicContact CG-CG2 4.12Å; L459-I521 HydrophobicContact CB-CG2 3.99Å; L459-I521 HydrophobicContact CD1-CG2 4.28Å; P461-I521 HydrophobicContact CB-CD1 3.93Å; V471-I521 HydrophobicContact CG1-CG1 3.95Å; V471-I521 HydrophobicContact CG2-CD1 4.26Å; V471-I521 HydrophobicContact CG2-CG1 4.49Å; A507-I521 HydrophobicContact CB-CB 4.03Å; A507-I521 HydrophobicContact CB-CG2 3.87Å; A507-I521 PolarHBondContact N-O 2.86Å; L514-I521 HydrophobicContact CB-CB 4.01Å; L514-I521 HydrophobicContact CB-CG1 3.85Å; L514-I521 PolarHBondContact O-N 2.79Å; T516-I521 HydrophobicContact CG2-CD1 3.6Å
522T97.5Very high93.4Very high45 Ų4557.2 Ų57.228%0.27630%0.299SS..BIsolated β-bridgetrans-128.1176.4-178.359.50000111.2D460 C505 V506 Q520D460-T522 PolarHBondContact N-O 2.88Å; D460-T522 PolarHBondContact O-N 2.93Å; C505-T522 CarbonylContact O-C 3.52Å; C505-T522 VanDerWaalsContact O-CA 3.23Å; C505-T522 WeakPolarHBondContact O-CA 3.32Å; C505-T522 WeakPolarHBondContact O-CB 3.42Å; V506-T522 HydrophobicContact CG2-CG2 4.47Å; Q520-T522 HydrophobicContact CG-CG2 4.02Å
523C95.6Very high93.4Very high6 Ų655.4 Ų55.44%0.04130%0.296CS..  trans-133163161.868.70000108.8A447 E457 L459 C505 L526A447-C523 HydrophobicContact CB-CB 3.98Å; E457-C523 HydrophobicContact CG-CB 4.03Å; E457-C523 WeakPolarHBondContact OE1-CB 3.34Å; E457-C523 PolarHBondContact OE1-SG 3.24Å; L459-C523 HydrophobicContact CD2-CB 4.01Å; C505-C523 WeakPolarHBondContact CB-O 3.41Å; C505-C523 PolarHBondContact O-N 3.32Å; C523-L526 PolarHBondContact SG-O 2.78Å
524K91.9Very high93.2Very high158 Ų15854.1 Ų54.169%0.68729%0.293SS*.SBendtrans-64.6-45.5-168.2-162.5-179.8-178.2172.60113.3E457E457-K524 PolarHBondContact OE1-N 2.94Å
525T92.9Very high93Very high86 Ų8656.8 Ų56.853%0.52831%0.308SS..SBendtrans-146.4-18.6-167.264.60000116.6E457E457-T525 PolarHBondContact OE1-N 3.29Å; E457-T525 PolarHBondContact OE2-N 2.82Å; E457-T525 VanDerWaalsContact OE2-N 3.16Å; E457-T525 PolarHBondContact OE2-OG1 3.12Å
526L92.5Very high92.8Very high2 Ų257.9 Ų57.91%0.0131%0.314CS..  trans-76140.6-175.2-63.1-174.7000112.1A447 I449 R455 E457 I501 C505 C523A447-L526 HydrophobicContact CB-CB 4.36Å; A447-L526 HydrophobicContact CB-CD1 3.97Å; I449-L526 HydrophobicContact CD1-CB 4.15Å; I449-L526 HydrophobicContact CD1-CD2 3.89Å; I449-L526 HydrophobicContact CD1-CG 4.46Å; I449-L526 HydrophobicContact CG1-CB 4.49Å; I449-L526 HydrophobicContact CG1-CD1 4.39Å; I449-L526 HydrophobicContact CG1-CD2 4.34Å; R455-L526 HydrophobicContact CB-CD1 4.41Å; R455-L526 HydrophobicContact CB-CD2 3.82Å; E457-L526 HydrophobicContact CG-CD1 3.82Å; E457-L526 HydrophobicContact CG-CG 3.87Å; E457-L526 PolarHBondContact OE1-N 3.49Å; I501-L526 WeakPolarHBondContact CG2-O 3.39Å; C505-L526 PolarHBondContact SG-O 3.11Å; C505-L526 VanDerWaalsContact SG-O 3.39Å; C523-L526 PolarHBondContact SG-O 2.78Å
527K92.3Very high92.7Very high120 Ų12060.6 Ų60.652%0.52233%0.329SS..  trans-129.2134.4179-62.9-178176.8-142.80109.8I449 D503 G529I449-K527 VanDerWaalsContact CD1-O 3.25Å; I449-K527 WeakPolarHBondContact CD1-O 3.14Å; D503-K527 WeakPolarHBondContact O-CD 3.23Å; D503-K527 WeakPolarHBondContact O-CE 3.23Å; D503-K527 PolarHBondContact O-NZ 2.76Å; K527-G529 VanDerWaalsContact C-N 3.28Å; K527-G529 PolarHBondContact O-N 2.91Å
528G83.1Confident92.8Very high56 Ų5651.7 Ų51.758%0.57729%0.294SS*.SBendtrans69.518.7176.900000115.5I501I501-G528 VanDerWaalsContact O-CA 3.23Å; I501-G528 WeakPolarHBondContact O-CA 3.33Å; I501-G528 PolarHBondContact O-N 2.81Å; I501-G528 VanDerWaalsContact O-N 3.09Å
529G88.6Confident92.9Very high3 Ų348.1 Ų48.13%0.03128%0.277CS..  trans-88171.9179.400000114.5S448 K500 I501 K527S448-G529 CarbonylContact O-C 3.45Å; S448-G529 WeakPolarHBondContact O-CA 3.31Å; K500-G529 CarbonylContact C-O 3.49Å; K500-G529 WeakPolarHBondContact CA-O 3.39Å; K500-G529 WeakPolarHBondContact CB-O 3.49Å; I501-G529 PolarHBondContact N-O 3.43Å; K527-G529 VanDerWaalsContact C-N 3.28Å; K527-G529 PolarHBondContact O-N 2.91Å
530N94.8Very high92.9Very high61 Ų6149.8 Ų49.833%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-92.1158.1171.9-63-48.4000110.4A447 S448A447-N530 CarbonylContact C-O 3.51Å; S448-N530 PolarHBondContact N-O 3.09Å; S448-N530 PolarHBondContact O-N 3.33Å
531I96.2Very high92.6Very high1 Ų148.1 Ų48.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-105.5131.6169.7-57.7167.6000108.7L445 C446 L459 Q496 L499 K500 I501 A507L445-I531 HydrophobicContact CB-CG2 4.14Å; C446-I531 VanDerWaalsContact O-CA 3.31Å; C446-I531 WeakPolarHBondContact O-CA 3.41Å; L459-I531 HydrophobicContact CD1-CD1 4.14Å; L459-I531 HydrophobicContact CD1-CG1 4.39Å; L459-I531 HydrophobicContact CD1-CG2 3.77Å; Q496-I531 VanDerWaalsContact CG-O 3.27Å; Q496-I531 WeakPolarHBondContact CG-O 3.38Å; Q496-I531 PolarHBondContact NE2-O 3.24Å; L499-I531 HydrophobicContact CB-CB 3.88Å; L499-I531 HydrophobicContact CB-CD1 4.23Å; L499-I531 HydrophobicContact CB-CG1 4.43Å; L499-I531 PolarHBondContact O-N 3.46Å; K500-I531 WeakPolarHBondContact O-CD1 3.19Å; I501-I531 HydrophobicContact CD1-CD1 3.92Å; I501-I531 HydrophobicContact CD1-CG1 3.85Å; I501-I531 HydrophobicContact CG1-CG1 4.27Å; A507-I531 HydrophobicContact CB-CD1 3.69Å
532S88.3Confident92.1Very high39 Ų3952.5 Ų52.527%0.27330%0.298SS..  trans-145.60-179.3630000112.5M443 C446M443-S532 VanDerWaalsContact SD-OXT 3.4Å; C446-S532 PolarHBondContact N-O 2.8Å; C446-S532 PolarHBondContact O-N 3.5Å

Retrieved 532 of 532 residues in 735.3 ms (Link to these results)

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