A0A3B3U7A6_9TELE Loading...

RCC1 and BTB domain containing protein 2

AlphaFold DB , UniProt , Accession A0A3B3U7A6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 527 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.3Low82.6Confident124 Ų12447.2 Ų47.261%0.61129%0.285SS*.  0124.30-170.7171.3-86.800107.2D3 D351M1-D3 PolarHBondContact O-N 2.97Å; M1-D351 HydrophobicContact CE-CB 4.32Å
2L60.9Low83.1Confident30 Ų3050.8 Ų50.816%0.15730%0.301CS..  trans-69.4120177.8-158.5102000108.3D330 L346 V348L2-D330 HydrophobicContact CD1-CB 3.83Å; L2-D330 WeakPolarHBondContact CD1-OD2 3.45Å; L2-L346 HydrophobicContact CD2-CB 3.96Å; L2-L346 HydrophobicContact CD2-CD1 4.2Å; L2-L346 HydrophobicContact CD2-CD2 4.13Å; L2-L346 HydrophobicContact CD2-CG 4.33Å; L2-V348 HydrophobicContact CD2-CG2 4.2Å
3D76.7Confident83.7Confident84 Ų8447.8 Ų47.845%0.44928%0.282SS..  trans-104.7103.2-178.8-178.65.8000109.1M1 G5 K6M1-D3 PolarHBondContact O-N 2.97Å; D3-G5 PolarHBondContact O-N 2.89Å; D3-G5 WeakPolarHBondContact OD1-CA 3.2Å; D3-G5 PolarHBondContact OD1-N 3.32Å; D3-K6 HydrophobicContact CB-CD 4.43Å; D3-K6 HydrophobicContact CB-CG 4.21Å; D3-K6 WeakPolarHBondContact O-CB 3.35Å; D3-K6 PolarHBondContact O-N 2.77Å
4V84.7Confident84.2Confident6 Ų649 Ų494%0.03629%0.292CS..G310 helixtrans-60-22.4175.2-73.40000112.1K6 W7 F10 L18 I21 A24 V348V4-K6 PolarHBondContact O-N 3.31Å; V4-K6 VanDerWaalsContact O-N 3.13Å; V4-W7 PolarHBondContact O-N 3.46Å; V4-W7 VanDerWaalsContact O-N 3.08Å; V4-F10 HydrophobicContact CB-CD2 3.98Å; V4-F10 HydrophobicContact CB-CE2 4.39Å; V4-F10 WeakPolarHBondContact O-CD2 3.45Å; V4-L18 HydrophobicContact CG2-CD2 4.18Å; V4-I21 HydrophobicContact CG1-CG2 4.19Å; V4-I21 HydrophobicContact CG2-CB 4.44Å; V4-I21 HydrophobicContact CG2-CD1 4.25Å; V4-A24 HydrophobicContact CG1-CB 4.12Å; V4-V348 HydrophobicContact CG1-CG2 3.47Å; V4-V348 VanDerWaalsContact CG1-CG2 3.47Å
5G83.1Confident84.3Confident30 Ų3051.7 Ų51.731%0.30931%0.311SS..G310 helixtrans-63.3-14.6173.900000114.3D3 W7D3-G5 PolarHBondContact O-N 2.89Å; D3-G5 WeakPolarHBondContact OD1-CA 3.2Å; D3-G5 PolarHBondContact OD1-N 3.32Å; G5-W7 PolarHBondContact O-N 3.12Å
6K87.4Confident84.5Confident68 Ų6857.8 Ų57.830%0.29634%0.335SS..G310 helixtrans-70.1-20.4172.7-68.1-179.7-175.5174.80113.3D3 V4 P8 D331 A334D3-K6 HydrophobicContact CB-CD 4.43Å; D3-K6 HydrophobicContact CB-CG 4.21Å; D3-K6 WeakPolarHBondContact O-CB 3.35Å; D3-K6 PolarHBondContact O-N 2.77Å; V4-K6 PolarHBondContact O-N 3.31Å; V4-K6 VanDerWaalsContact O-N 3.13Å; K6-P8 WeakPolarHBondContact O-CD 3.45Å; K6-D331 WeakPolarHBondContact CD-OD1 3.3Å; K6-D331 WeakPolarHBondContact CE-OD1 3.45Å; K6-D331 IonicContact NZ-OD1 3.33Å; K6-D331 PolarHBondContact NZ-OD1 2.96Å; K6-D331 IonicContact NZ-OD2 2.98Å; K6-D331 PolarHBondContact NZ-OD2 3.15Å; K6-A334 HydrophobicContact CB-CB 4.13Å
7W93.4Very high84.7Confident3 Ų356.9 Ų56.91%0.01133%0.328CS..SBendtrans-85.2120.7175-56.684.4000109.2V4 G5 V9 F10 V26 D330 F333 A334 A340 V341 T342 L346V4-W7 PolarHBondContact O-N 3.46Å; V4-W7 VanDerWaalsContact O-N 3.08Å; G5-W7 PolarHBondContact O-N 3.12Å; W7-V9 HydrophobicContact CB-CG1 4.38Å; W7-V9 PolarHBondContact O-N 3.3Å; W7-F10 HydrophobicContact CB-CD2 3.83Å; W7-F10 HydrophobicContact CB-CE2 4.39Å; W7-F10 HydrophobicContact CG-CD2 4.33Å; W7-F10 PolarHBondContact O-N 2.74Å; W7-V26 HydrophobicContact CB-CG2 3.9Å; W7-V26 HydrophobicContact CD2-CB 4.19Å; W7-V26 HydrophobicContact CD2-CG2 3.87Å; W7-V26 HydrophobicContact CE3-CB 3.73Å; W7-V26 HydrophobicContact CE3-CG1 4Å; W7-V26 HydrophobicContact CE3-CG2 3.92Å; W7-V26 HydrophobicContact CG-CG2 3.86Å; W7-V26 HydrophobicContact CZ3-CB 4.27Å; W7-D330 HydrophobicContact CZ2-CB 4.47Å; W7-F333 HydrophobicContact CH2-CB 3.85Å; W7-A334 HydrophobicContact CD2-CB 3.82Å; W7-A334 HydrophobicContact CE3-CB 4.08Å; W7-A334 HydrophobicContact CG-CB 4.33Å; W7-A334 HydrophobicContact CH2-CB 4.1Å; W7-A334 HydrophobicContact CZ2-CB 3.84Å; W7-A334 HydrophobicContact CZ3-CB 4.2Å; W7-A340 VanDerWaalsContact CE3-O 3.25Å; W7-A340 VanDerWaalsContact CZ3-C 3.42Å; W7-A340 WeakPolarHBondContact CZ3-O 3.27Å; W7-V341 VanDerWaalsContact CH2-C 3.45Å; W7-V341 WeakPolarHBondContact CH2-O 3.19Å; W7-T342 HydrophobicContact CD2-CG2 4.26Å; W7-T342 HydrophobicContact CE3-CG2 4.3Å; W7-T342 HydrophobicContact CH2-CG2 3.49Å; W7-T342 VanDerWaalsContact CH2-CG2 3.49Å; W7-T342 HydrophobicContact CZ2-CG2 3.43Å; W7-T342 VanDerWaalsContact CZ2-CG2 3.43Å; W7-T342 HydrophobicContact CZ3-CG2 3.93Å; W7-L346 HydrophobicContact CZ2-CD1 4.1Å; W7-L346 HydrophobicContact CZ2-CD2 4.45Å
8P92.1Very high85Confident89 Ų8956 Ų5658%0.57832%0.321SS*.G310 helixtrans-54.8-32.9-172.8-29.536000114.8K6 F10 A11K6-P8 WeakPolarHBondContact O-CD 3.45Å; P8-F10 VanDerWaalsContact C-N 3.27Å; P8-F10 PolarHBondContact O-N 3.33Å; P8-A11 VanDerWaalsContact O-CB 3.29Å; P8-A11 WeakPolarHBondContact O-CB 3.28Å; P8-A11 PolarHBondContact O-N 3Å; P8-A11 VanDerWaalsContact O-N 3.16Å
9V93.6Very high85.1Confident8 Ų863.1 Ų63.15%0.04834%0.342CS..G310 helixtrans-61.7-33178.668.10000112.8W7 A11 L12 V26 A34 L46W7-V9 HydrophobicContact CB-CG1 4.38Å; W7-V9 PolarHBondContact O-N 3.3Å; V9-A11 VanDerWaalsContact C-N 3.32Å; V9-A11 PolarHBondContact O-N 2.89Å; V9-L12 WeakPolarHBondContact O-CD1 3.32Å; V9-L12 WeakPolarHBondContact O-CG 3.45Å; V9-V26 HydrophobicContact CG1-CB 4.44Å; V9-V26 HydrophobicContact CG1-CG1 3.88Å; V9-V26 HydrophobicContact CG1-CG2 3.7Å; V9-A34 HydrophobicContact CG1-CB 3.76Å; V9-A34 HydrophobicContact CG2-CB 3.94Å; V9-L46 HydrophobicContact CG2-CD1 4.09Å; V9-L46 HydrophobicContact CG2-CG 4.19Å
10F94Very high85.4Confident0 Ų063.6 Ų63.60%034%0.344CS..G310 helixtrans-81.4-10.4179.2-68.4-52.4000113.4V4 W7 P8 L12 L13 L18 I21 A24 V26 A34 Y36 L46V4-F10 HydrophobicContact CB-CD2 3.98Å; V4-F10 HydrophobicContact CB-CE2 4.39Å; V4-F10 WeakPolarHBondContact O-CD2 3.45Å; W7-F10 HydrophobicContact CB-CD2 3.83Å; W7-F10 HydrophobicContact CB-CE2 4.39Å; W7-F10 HydrophobicContact CG-CD2 4.33Å; W7-F10 PolarHBondContact O-N 2.74Å; P8-F10 VanDerWaalsContact C-N 3.27Å; P8-F10 PolarHBondContact O-N 3.33Å; F10-L12 PolarHBondContact O-N 3.21Å; F10-L12 VanDerWaalsContact O-N 3.09Å; F10-L13 HydrophobicContact CD1-CD1 3.74Å; F10-L13 HydrophobicContact CD1-CG 4.49Å; F10-L13 HydrophobicContact CE1-CD1 4.44Å; F10-L13 PolarHBondContact O-N 2.78Å; F10-L18 HydrophobicContact CB-CD2 3.9Å; F10-I21 HydrophobicContact CD1-CD1 4.12Å; F10-I21 HydrophobicContact CE1-CD1 4.17Å; F10-A24 HydrophobicContact CE2-CB 3.79Å; F10-A24 HydrophobicContact CZ-CB 3.68Å; F10-V26 HydrophobicContact CD2-CG2 4.22Å; F10-V26 HydrophobicContact CE2-CG2 3.53Å; F10-V26 HydrophobicContact CZ-CG2 4.1Å; F10-A34 HydrophobicContact CE1-CB 3.8Å; F10-A34 HydrophobicContact CZ-CB 3.79Å; F10-Y36 AromaticContact CE1-CD1 3.86Å; F10-Y36 HydrophobicContact CE1-CD1 3.86Å; F10-Y36 HydrophobicContact CE1-CG 4.28Å; F10-L46 HydrophobicContact CD1-CD2 4.38Å; F10-L46 HydrophobicContact CE1-CD2 4.13Å
11A91.3Very high85.8Confident77 Ų7760.7 Ų60.764%0.63633%0.328SS*.G310 helixtrans-65-10.817200000113.1P8 V9 L13P8-A11 VanDerWaalsContact O-CB 3.29Å; P8-A11 WeakPolarHBondContact O-CB 3.28Å; P8-A11 PolarHBondContact O-N 3Å; P8-A11 VanDerWaalsContact O-N 3.16Å; V9-A11 VanDerWaalsContact C-N 3.32Å; V9-A11 PolarHBondContact O-N 2.89Å; A11-L13 VanDerWaalsContact C-N 3.3Å
12L88.3Confident87.7Confident91 Ų9159.1 Ų59.148%0.47632%0.316SS..G310 helixtrans-77.2-15.9173.5-59.5170.6000112.7V9 F10 L46 I63V9-L12 WeakPolarHBondContact O-CD1 3.32Å; V9-L12 WeakPolarHBondContact O-CG 3.45Å; F10-L12 PolarHBondContact O-N 3.21Å; F10-L12 VanDerWaalsContact O-N 3.09Å; L12-L46 HydrophobicContact CB-CD1 4.32Å; L12-L46 HydrophobicContact CD1-CD1 4.12Å; L12-I63 HydrophobicContact CB-CG2 4.33Å; L12-I63 HydrophobicContact CD1-CG2 4.06Å; L12-I63 HydrophobicContact CD2-CG2 3.98Å; L12-I63 HydrophobicContact CG-CG2 4.34Å
13L91.6Very high89.3Confident11 Ų1159.7 Ų59.76%0.05832%0.317CS..SBendtrans-93.3144.8-175.9-54.7-173.8000112F10 A11 E17 L18 I21 Y36 L46 P65F10-L13 HydrophobicContact CD1-CD1 3.74Å; F10-L13 HydrophobicContact CD1-CG 4.49Å; F10-L13 HydrophobicContact CE1-CD1 4.44Å; F10-L13 PolarHBondContact O-N 2.78Å; A11-L13 VanDerWaalsContact C-N 3.3Å; L13-E17 HydrophobicContact CD1-CG 4.46Å; L13-L18 HydrophobicContact CB-CD2 3.89Å; L13-L18 HydrophobicContact CB-CG 4.07Å; L13-L18 HydrophobicContact CD1-CD2 4.08Å; L13-L18 HydrophobicContact CG-CD2 4.43Å; L13-I21 HydrophobicContact CD1-CD1 3.89Å; L13-Y36 HydrophobicContact CD1-CE1 4.18Å; L13-L46 HydrophobicContact CD2-CD1 4.12Å; L13-P65 HydrophobicContact CD2-CG 3.26Å
14P89.9Confident90.3Very high65 Ų6555.7 Ų55.742%0.42230%0.296SS..  trans-66.1151.7172.928.1-33000111E16 E17 L18P14-E16 PolarHBondContact O-N 2.87Å; P14-E16 VanDerWaalsContact O-N 3.07Å; P14-E17 HydrophobicContact CG-CB 3.84Å; P14-E17 PolarHBondContact O-N 3Å; P14-L18 PolarHBondContact O-N 3.45Å; P14-L18 VanDerWaalsContact O-N 3.13Å
15P86.6Confident90.9Very high89 Ų8955.5 Ų55.558%0.57830%0.295SS*.Hα-helixtrans-57.3-27.1-179.2-26.634.6000114.9R19P15-R19 WeakPolarHBondContact O-CG 3.31Å; P15-R19 PolarHBondContact O-N 2.9Å
16E86.9Confident91.5Very high149 Ų14954 Ų5470%0.69628%0.28SS*.Hα-helixtrans-67.9-40.9176.7-64.5178.5-177.300111.6P14 R19P14-E16 PolarHBondContact O-N 2.87Å; P14-E16 VanDerWaalsContact O-N 3.07Å; E16-R19 PolarHBondContact O-N 2.91Å
17E88.6Confident92Very high44 Ų4450.8 Ų50.821%0.20627%0.266CS..Hα-helixtrans-74.3-37.9179.1-173.2164.7-164.500111.7L13 P14 R19 L20 Y36L13-E17 HydrophobicContact CD1-CG 4.46Å; P14-E17 HydrophobicContact CG-CB 3.84Å; P14-E17 PolarHBondContact O-N 3Å; E17-R19 PolarHBondContact O-N 2.93Å; E17-L20 WeakPolarHBondContact O-CB 3.42Å; E17-L20 PolarHBondContact O-N 2.86Å; E17-Y36 PolarHBondContact OE1-OH 3.42Å
18L90.1Very high92Very high40 Ų4050.9 Ų50.921%0.20927%0.268CS..Hα-helixtrans-55.8-34.7173.4-69.1176.8000112.6V4 F10 L13 P14 L20 I21V4-L18 HydrophobicContact CG2-CD2 4.18Å; F10-L18 HydrophobicContact CB-CD2 3.9Å; L13-L18 HydrophobicContact CB-CD2 3.89Å; L13-L18 HydrophobicContact CB-CG 4.07Å; L13-L18 HydrophobicContact CD1-CD2 4.08Å; L13-L18 HydrophobicContact CG-CD2 4.43Å; P14-L18 PolarHBondContact O-N 3.45Å; P14-L18 VanDerWaalsContact O-N 3.13Å; L18-L20 PolarHBondContact O-N 2.98Å; L18-I21 HydrophobicContact CD2-CD1 4.03Å; L18-I21 PolarHBondContact O-N 2.85Å
19R87.3Confident91.9Very high191 Ų19151 Ų5172%0.72127%0.271SS*.THydrogen-bonded Turntrans-70.6-19.5176.6-70.5171.3-174.3156.15.1113.5P15 E16 E17P15-R19 WeakPolarHBondContact O-CG 3.31Å; P15-R19 PolarHBondContact O-N 2.9Å; E16-R19 PolarHBondContact O-N 2.91Å; E17-R19 PolarHBondContact O-N 2.93Å
20L90.6Very high91.8Very high72 Ų7253.5 Ų53.538%0.37729%0.292SS..THydrogen-bonded Turntrans-81.7-20.6177.4-60176.4000111.8E17 L18 R22 T38 V39E17-L20 WeakPolarHBondContact O-CB 3.42Å; E17-L20 PolarHBondContact O-N 2.86Å; L18-L20 PolarHBondContact O-N 2.98Å; L20-R22 PolarHBondContact O-N 2.85Å; L20-T38 HydrophobicContact CB-CG2 4.41Å; L20-T38 CarbonylContact O-C 3.2Å; L20-T38 VanDerWaalsContact O-C 3.31Å; L20-T38 WeakPolarHBondContact O-CA 3.3Å; L20-V39 HydrophobicContact CD2-CG2 3.89Å; L20-V39 VanDerWaalsContact O-CG1 3.32Å; L20-V39 WeakPolarHBondContact O-CG1 3.46Å; L20-V39 PolarHBondContact O-N 3.31Å
21I93.1Very high91.8Very high3 Ų353.9 Ų53.92%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-67.4122.7-176.4-57.7-174.5000110.5V4 F10 L13 L18 A24 Y36 V348V4-I21 HydrophobicContact CG1-CG2 4.19Å; V4-I21 HydrophobicContact CG2-CB 4.44Å; V4-I21 HydrophobicContact CG2-CD1 4.25Å; F10-I21 HydrophobicContact CD1-CD1 4.12Å; F10-I21 HydrophobicContact CE1-CD1 4.17Å; L13-I21 HydrophobicContact CD1-CD1 3.89Å; L18-I21 HydrophobicContact CD2-CD1 4.03Å; L18-I21 PolarHBondContact O-N 2.85Å; I21-A24 HydrophobicContact CG2-CB 4.07Å; I21-Y36 HydrophobicContact CD1-CD2 3.91Å; I21-Y36 HydrophobicContact CD1-CE2 4.31Å; I21-Y36 HydrophobicContact CD1-CG 4.07Å; I21-Y36 HydrophobicContact CG1-CD2 3.65Å; I21-Y36 HydrophobicContact CG1-CE2 4.09Å; I21-Y36 HydrophobicContact CG1-CG 4.23Å; I21-V348 HydrophobicContact CG2-CG2 4.47Å
22R91.8Very high91.9Very high92 Ų9254.1 Ų54.135%0.34729%0.286SS..EExtended strand (participates in β ladder)trans-108.4-33.5173.2-69.6-64.2-179.4153.5-9.1113L20 V37 V39 V348 G350L20-R22 PolarHBondContact O-N 2.85Å; R22-V37 PolarHBondContact N-O 2.8Å; R22-V39 HydrophobicContact CG-CB 4.34Å; R22-V39 HydrophobicContact CG-CG1 3.77Å; R22-V39 VanDerWaalsContact NE-CG1 3.26Å; R22-V348 PolarHBondContact O-N 3.38Å; R22-G350 VanDerWaalsContact NH1-N 3.14Å; R22-G350 PolarHBondContact NH1-O 2.84Å
23Q94.9Very high92.3Very high42 Ų4250.1 Ų50.120%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-134.3147.5173.8-59.6175.2-55.400109.9Y36 V37 I76 L345 L346Q23-Y36 CarbonylContact O-C 3.6Å; Q23-Y36 WeakPolarHBondContact O-CA 3.39Å; Q23-Y36 VanDerWaalsContact O-CB 3.31Å; Q23-Y36 WeakPolarHBondContact O-CB 3.34Å; Q23-V37 HydrophobicContact CB-CB 4.09Å; Q23-V37 HydrophobicContact CB-CG2 4.15Å; Q23-V37 PolarHBondContact N-O 3.32Å; Q23-V37 PolarHBondContact O-N 3.06Å; Q23-I76 PolarHBondContact NE2-O 3.05Å; Q23-I76 VanDerWaalsContact NE2-O 3.11Å; Q23-I76 PolarHBondContact OE1-O 3.23Å; Q23-L345 HydrophobicContact CB-CD1 3.97Å; Q23-L345 HydrophobicContact CB-CG 4.29Å; Q23-L346 WeakPolarHBondContact CA-O 3.41Å; Q23-L346 WeakPolarHBondContact CB-O 3.42Å
24A96.5Very high92.6Very high0 Ų049.6 Ų49.60%026%0.262CS..EExtended strand (participates in β ladder)trans-148.5149.4-179.600000111.7V4 F10 I21 L35 L346V4-A24 HydrophobicContact CG1-CB 4.12Å; F10-A24 HydrophobicContact CE2-CB 3.79Å; F10-A24 HydrophobicContact CZ-CB 3.68Å; I21-A24 HydrophobicContact CG2-CB 4.07Å; A24-L35 CarbonylContact C-O 3.45Å; A24-L35 WeakPolarHBondContact CA-O 3.34Å; A24-L346 HydrophobicContact CB-CB 4.37Å; A24-L346 HydrophobicContact CB-CD1 4.18Å; A24-L346 PolarHBondContact N-O 3.3Å; A24-L346 VanDerWaalsContact O-CB 3.23Å; A24-L346 WeakPolarHBondContact O-CB 3.41Å; A24-L346 WeakPolarHBondContact O-CG 3.29Å; A24-L346 PolarHBondContact O-N 2.98Å
25C97.1Very high92.9Very high1 Ų146.8 Ų46.81%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-136.1129.8169.2-179.80000108.3A34 L35 L79 Y81 T342C25-A34 VanDerWaalsContact O-CA 3.26Å; C25-A34 WeakPolarHBondContact O-CA 3.19Å; C25-L35 PolarHBondContact N-O 3.21Å; C25-L35 PolarHBondContact O-N 3.41Å; C25-L79 HydrophobicContact CB-CD1 4.03Å; C25-L79 HydrophobicContact CB-CD2 3.56Å; C25-L79 HydrophobicContact CB-CG 4.39Å; C25-L79 WeakPolarHBondContact SG-CD2 3.42Å; C25-Y81 VanDerWaalsContact SG-CD1 3.5Å; C25-Y81 VanDerWaalsContact SG-CE1 3.52Å; C25-T342 PolarHBondContact SG-OG1 3.4Å
26V97.4Very high93.4Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-114.4125.7172.7-1790000107.8W7 V9 F10 A31 E33 A34 V341 T342W7-V26 HydrophobicContact CB-CG2 3.9Å; W7-V26 HydrophobicContact CD2-CB 4.19Å; W7-V26 HydrophobicContact CD2-CG2 3.87Å; W7-V26 HydrophobicContact CE3-CB 3.73Å; W7-V26 HydrophobicContact CE3-CG1 4Å; W7-V26 HydrophobicContact CE3-CG2 3.92Å; W7-V26 HydrophobicContact CG-CG2 3.86Å; W7-V26 HydrophobicContact CZ3-CB 4.27Å; V9-V26 HydrophobicContact CG1-CB 4.44Å; V9-V26 HydrophobicContact CG1-CG1 3.88Å; V9-V26 HydrophobicContact CG1-CG2 3.7Å; F10-V26 HydrophobicContact CD2-CG2 4.22Å; F10-V26 HydrophobicContact CE2-CG2 3.53Å; F10-V26 HydrophobicContact CZ-CG2 4.1Å; V26-A31 HydrophobicContact CG1-CB 4.09Å; V26-E33 CarbonylContact C-O 3.53Å; V26-E33 WeakPolarHBondContact CA-O 3.39Å; V26-A34 HydrophobicContact CG2-CB 4.42Å; V26-V341 CarbonylContact O-C 3.59Å; V26-V341 WeakPolarHBondContact O-CA 3.48Å; V26-V341 VanDerWaalsContact O-CB 3.29Å; V26-V341 WeakPolarHBondContact O-CB 3.21Å; V26-T342 HydrophobicContact CB-CG2 4.04Å; V26-T342 HydrophobicContact CG2-CG2 4.31Å; V26-T342 PolarHBondContact N-OG1 3.14Å; V26-T342 PolarHBondContact O-N 2.92Å; V26-T342 PolarHBondContact O-OG1 3.09Å
27F96.9Very high93.9Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-143.3-175.7-170.462.2-85.4000112A31 E33 L35 C53 L54 Y81 P85 V87F27-A31 WeakPolarHBondContact O-CA 3.25Å; F27-E33 HydrophobicContact CD1-CB 4.28Å; F27-E33 HydrophobicContact CD2-CB 3.75Å; F27-E33 HydrophobicContact CE1-CB 4.08Å; F27-E33 HydrophobicContact CE2-CB 3.54Å; F27-E33 HydrophobicContact CE2-CG 4.26Å; F27-E33 HydrophobicContact CG-CB 4.12Å; F27-E33 HydrophobicContact CZ-CB 3.72Å; F27-E33 PolarHBondContact N-O 3.22Å; F27-E33 PolarHBondContact O-N 2.98Å; F27-L35 HydrophobicContact CE1-CB 4.35Å; F27-L35 HydrophobicContact CE1-CD1 3.68Å; F27-L35 HydrophobicContact CE1-CG 3.75Å; F27-L35 HydrophobicContact CZ-CD1 3.99Å; F27-L35 HydrophobicContact CZ-CG 4.2Å; F27-C53 HydrophobicContact CE2-CB 4.11Å; F27-L54 HydrophobicContact CZ-CD2 4.39Å; F27-Y81 HydrophobicContact CB-CD1 3.43Å; F27-Y81 VanDerWaalsContact CB-CD1 3.43Å; F27-Y81 HydrophobicContact CB-CD2 3.44Å; F27-Y81 VanDerWaalsContact CB-CD2 3.44Å; F27-Y81 HydrophobicContact CB-CE1 3.56Å; F27-Y81 HydrophobicContact CB-CE2 3.56Å; F27-Y81 HydrophobicContact CB-CG 3.36Å; F27-Y81 HydrophobicContact CD2-CG 4.43Å; F27-Y81 HydrophobicContact CG-CD1 4.18Å; F27-Y81 HydrophobicContact CG-CD2 4.38Å; F27-Y81 HydrophobicContact CG-CG 4.02Å; F27-P85 HydrophobicContact CD2-CB 3.68Å; F27-P85 HydrophobicContact CD2-CG 4.11Å; F27-P85 HydrophobicContact CE2-CB 3.8Å; F27-P85 HydrophobicContact CE2-CG 4.14Å; F27-V87 HydrophobicContact CD2-CG2 4.4Å; F27-V87 HydrophobicContact CE1-CG2 4.46Å; F27-V87 HydrophobicContact CE2-CG2 3.76Å; F27-V87 HydrophobicContact CZ-CG2 3.79Å
28G94.1Very high94.1Very high5 Ų533.9 Ų33.95%0.05218%0.176CC..SBendtrans90168.7178.900000114.1A30 A31 E33 V341G28-A30 PolarHBondContact O-N 2.97Å; G28-A31 PolarHBondContact O-N 2.72Å; G28-E33 WeakPolarHBondContact CA-OE2 3.5Å; G28-V341 WeakPolarHBondContact O-CG1 3.26Å
29S89.5Confident94.1Very high91 Ų9134.8 Ų34.864%0.63618%0.183SC*.THydrogen-bonded Turntrans-67.9-20.1-169.3-55.50000113.6
30A90.8Very high94.1Very high61 Ų6131 Ų3150%0.50418%0.177SC..THydrogen-bonded Turntrans-1217.5179.600000112.9G28 N32G28-A30 PolarHBondContact O-N 2.97Å; A30-N32 VanDerWaalsContact C-N 3.28Å; A30-N32 PolarHBondContact O-N 3.47Å; A30-N32 PolarHBondContact O-OD1 2.85Å
31A93.8Very high94.1Very high8 Ų831.3 Ų31.37%0.06618%0.179CC..SBendtrans57.437.2-173.200000114.1V26 F27 G28 P339 A340 V341V26-A31 HydrophobicContact CG1-CB 4.09Å; F27-A31 WeakPolarHBondContact O-CA 3.25Å; G28-A31 PolarHBondContact O-N 2.72Å; A31-P339 HydrophobicContact CB-CB 4.3Å; A31-A340 VanDerWaalsContact CB-C 3.5Å; A31-A340 HydrophobicContact CB-CB 4.25Å; A31-A340 WeakPolarHBondContact CB-O 3.38Å; A31-V341 HydrophobicContact CB-CG1 3.78Å
32N94.4Very high94.2Very high81 Ų8133.8 Ų33.843%0.43319%0.191SC..  trans-106.910.2-175.7-72.9-20.5000111.8A30 G47 T48A30-N32 VanDerWaalsContact C-N 3.28Å; A30-N32 PolarHBondContact O-N 3.47Å; A30-N32 PolarHBondContact O-OD1 2.85Å; N32-G47 CarbonylContact O-C 3.59Å; N32-G47 WeakPolarHBondContact O-CA 3.49Å; N32-T48 PolarHBondContact O-N 2.87Å
33E96.6Very high94.5Very high7 Ų729.6 Ų29.63%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-123130.4-176.3-60.296139.700108.7V26 F27 G28 T48 L54V26-E33 CarbonylContact C-O 3.53Å; V26-E33 WeakPolarHBondContact CA-O 3.39Å; F27-E33 HydrophobicContact CD1-CB 4.28Å; F27-E33 HydrophobicContact CD2-CB 3.75Å; F27-E33 HydrophobicContact CE1-CB 4.08Å; F27-E33 HydrophobicContact CE2-CB 3.54Å; F27-E33 HydrophobicContact CE2-CG 4.26Å; F27-E33 HydrophobicContact CG-CB 4.12Å; F27-E33 HydrophobicContact CZ-CB 3.72Å; F27-E33 PolarHBondContact N-O 3.22Å; F27-E33 PolarHBondContact O-N 2.98Å; G28-E33 WeakPolarHBondContact CA-OE2 3.5Å; E33-T48 WeakPolarHBondContact CG-O 3.17Å; E33-L54 HydrophobicContact CB-CD2 4.22Å; E33-L54 HydrophobicContact CG-CD2 4.48Å
34A97.3Very high94.6Very high0 Ų029 Ų290%017%0.172CC..EExtended strand (participates in β ladder)trans-137.2143-179.400000112.1V9 F10 C25 V26 A45 L46V9-A34 HydrophobicContact CG1-CB 3.76Å; V9-A34 HydrophobicContact CG2-CB 3.94Å; F10-A34 HydrophobicContact CE1-CB 3.8Å; F10-A34 HydrophobicContact CZ-CB 3.79Å; C25-A34 VanDerWaalsContact O-CA 3.26Å; C25-A34 WeakPolarHBondContact O-CA 3.19Å; V26-A34 HydrophobicContact CG2-CB 4.42Å; A34-A45 VanDerWaalsContact O-CA 3.3Å; A34-A45 WeakPolarHBondContact O-CA 3.43Å; A34-L46 HydrophobicContact CB-CD2 3.87Å; A34-L46 HydrophobicContact CB-CG 4.26Å; A34-L46 PolarHBondContact N-O 3.04Å; A34-L46 PolarHBondContact O-N 3.07Å
35L97.6Very high94.7Very high6 Ų629 Ų293%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-122.7137.2166.7-71.6162.7000107.8A24 C25 F27 F44 A45 I68 L79 V87 W99A24-L35 CarbonylContact C-O 3.45Å; A24-L35 WeakPolarHBondContact CA-O 3.34Å; C25-L35 PolarHBondContact N-O 3.21Å; C25-L35 PolarHBondContact O-N 3.41Å; F27-L35 HydrophobicContact CE1-CB 4.35Å; F27-L35 HydrophobicContact CE1-CD1 3.68Å; F27-L35 HydrophobicContact CE1-CG 3.75Å; F27-L35 HydrophobicContact CZ-CD1 3.99Å; F27-L35 HydrophobicContact CZ-CG 4.2Å; L35-F44 WeakPolarHBondContact CA-O 3.44Å; L35-A45 HydrophobicContact CD2-CB 3.6Å; L35-I68 HydrophobicContact CD2-CD1 3.33Å; L35-L79 HydrophobicContact CB-CD1 4.37Å; L35-L79 HydrophobicContact CD1-CD1 4.07Å; L35-V87 HydrophobicContact CD1-CG1 3.76Å; L35-V87 HydrophobicContact CD1-CG2 4.25Å; L35-W99 HydrophobicContact CD1-CH2 4.39Å; L35-W99 HydrophobicContact CD1-CZ2 3.67Å; L35-W99 HydrophobicContact CD2-CZ2 4.39Å
36Y97Very high94.7Very high1 Ų129 Ų290%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-143.8153.7175.266.8-84.4000112F10 L13 E17 I21 Q23 T38 V43 F44 L46 P65F10-Y36 AromaticContact CE1-CD1 3.86Å; F10-Y36 HydrophobicContact CE1-CD1 3.86Å; F10-Y36 HydrophobicContact CE1-CG 4.28Å; L13-Y36 HydrophobicContact CD1-CE1 4.18Å; E17-Y36 PolarHBondContact OE1-OH 3.42Å; I21-Y36 HydrophobicContact CD1-CD2 3.91Å; I21-Y36 HydrophobicContact CD1-CE2 4.31Å; I21-Y36 HydrophobicContact CD1-CG 4.07Å; I21-Y36 HydrophobicContact CG1-CD2 3.65Å; I21-Y36 HydrophobicContact CG1-CE2 4.09Å; I21-Y36 HydrophobicContact CG1-CG 4.23Å; Q23-Y36 CarbonylContact O-C 3.6Å; Q23-Y36 WeakPolarHBondContact O-CA 3.39Å; Q23-Y36 VanDerWaalsContact O-CB 3.31Å; Q23-Y36 WeakPolarHBondContact O-CB 3.34Å; Y36-T38 HydrophobicContact CD2-CG2 4.24Å; Y36-T38 HydrophobicContact CE2-CG2 4.01Å; Y36-V43 WeakPolarHBondContact O-CA 3.35Å; Y36-F44 HydrophobicContact CD1-CB 4.03Å; Y36-F44 HydrophobicContact CD2-CB 4.32Å; Y36-F44 HydrophobicContact CE1-CB 3.43Å; Y36-F44 VanDerWaalsContact CE1-CB 3.43Å; Y36-F44 HydrophobicContact CE1-CG 4.42Å; Y36-F44 HydrophobicContact CE2-CB 3.81Å; Y36-F44 AromaticContact CE2-CD2 3.93Å; Y36-F44 HydrophobicContact CE2-CD2 3.93Å; Y36-F44 HydrophobicContact CE2-CG 4.1Å; Y36-F44 HydrophobicContact CG-CB 4.44Å; Y36-F44 AromaticContact CZ-CG 3.86Å; Y36-F44 PolarHBondContact N-O 3.35Å; Y36-F44 PolarHBondContact O-N 3.41Å; Y36-L46 HydrophobicContact CD1-CD2 3.88Å; Y36-L46 HydrophobicContact CE1-CD2 3.56Å; Y36-P65 HydrophobicContact CE1-CB 4.29Å; Y36-P65 HydrophobicContact CE1-CG 4.39Å; Y36-P65 WeakPolarHBondContact OH-CB 3.36Å; Y36-P65 WeakPolarHBondContact OH-CG 3.42Å
37V95.9Very high94.6Very high6 Ų629.5 Ų29.54%0.03618%0.178CC..EExtended strand (participates in β ladder)trans-114.9132.5178.3-170.60000108.3R22 Q23 E42 V43 I76R22-V37 PolarHBondContact N-O 2.8Å; Q23-V37 HydrophobicContact CB-CB 4.09Å; Q23-V37 HydrophobicContact CB-CG2 4.15Å; Q23-V37 PolarHBondContact N-O 3.32Å; Q23-V37 PolarHBondContact O-N 3.06Å; V37-E42 CarbonylContact C-O 3.56Å; V37-E42 VanDerWaalsContact CA-O 3.32Å; V37-E42 WeakPolarHBondContact CA-O 3.38Å; V37-V43 HydrophobicContact CG2-CG2 4.26Å; V37-I76 HydrophobicContact CG2-CD1 3.93Å
38T93.5Very high94.6Very high5 Ų532 Ų323%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-89.2171.5179.972.60000112.4L20 Y36 N40 D41 E42 F44L20-T38 HydrophobicContact CB-CG2 4.41Å; L20-T38 CarbonylContact O-C 3.2Å; L20-T38 VanDerWaalsContact O-C 3.31Å; L20-T38 WeakPolarHBondContact O-CA 3.3Å; Y36-T38 HydrophobicContact CD2-CG2 4.24Å; Y36-T38 HydrophobicContact CE2-CG2 4.01Å; T38-N40 PolarHBondContact O-N 2.79Å; T38-N40 VanDerWaalsContact O-N 3.08Å; T38-N40 PolarHBondContact OG1-N 3.44Å; T38-D41 PolarHBondContact O-N 2.89Å; T38-D41 VanDerWaalsContact O-N 3.08Å; T38-E42 HydrophobicContact CG2-CB 4.49Å; T38-E42 PolarHBondContact N-O 3.05Å; T38-E42 WeakPolarHBondContact OG1-CB 3.45Å; T38-E42 PolarHBondContact OG1-N 3.09Å; T38-F44 HydrophobicContact CG2-CD2 3.84Å; T38-F44 HydrophobicContact CG2-CE2 3.77Å
39V89.3Confident94.6Very high58 Ų5831.9 Ų31.935%0.35219%0.191SC..THydrogen-bonded Turntrans-55.7-20.3171.4-56.40000114.2L20 R22L20-V39 HydrophobicContact CD2-CG2 3.89Å; L20-V39 VanDerWaalsContact O-CG1 3.32Å; L20-V39 WeakPolarHBondContact O-CG1 3.46Å; L20-V39 PolarHBondContact O-N 3.31Å; R22-V39 HydrophobicContact CG-CB 4.34Å; R22-V39 HydrophobicContact CG-CG1 3.77Å; R22-V39 VanDerWaalsContact NE-CG1 3.26Å
40N88.2Confident94.7Very high111 Ų11130 Ų3059%0.59418%0.177SC*.THydrogen-bonded Turntrans-99.115.5-178.7-62-35.1000112.4T38 E42T38-N40 PolarHBondContact O-N 2.79Å; T38-N40 VanDerWaalsContact O-N 3.08Å; T38-N40 PolarHBondContact OG1-N 3.44Å; N40-E42 HydrophobicContact CB-CG 4.33Å; N40-E42 PolarHBondContact O-N 2.98Å
41D89.8Confident94.8Very high79 Ų7928.6 Ų28.642%0.42216%0.164SC..SBendtrans57.525.8-174.7-61.2-45.9000113.7T38 G73T38-D41 PolarHBondContact O-N 2.89Å; T38-D41 VanDerWaalsContact O-N 3.08Å; D41-G73 PolarHBondContact O-N 3.47Å
42E95.9Very high94.8Very high56 Ų5628.2 Ų28.226%0.26216%0.161SC..  trans-86.8139.9171.7-63.1-175.6112.100110.2V37 T38 N40 F44 R67V37-E42 CarbonylContact C-O 3.56Å; V37-E42 VanDerWaalsContact CA-O 3.32Å; V37-E42 WeakPolarHBondContact CA-O 3.38Å; T38-E42 HydrophobicContact CG2-CB 4.49Å; T38-E42 PolarHBondContact N-O 3.05Å; T38-E42 WeakPolarHBondContact OG1-CB 3.45Å; T38-E42 PolarHBondContact OG1-N 3.09Å; N40-E42 HydrophobicContact CB-CG 4.33Å; N40-E42 PolarHBondContact O-N 2.98Å; E42-F44 HydrophobicContact CB-CD2 4.25Å; E42-F44 HydrophobicContact CB-CE2 3.54Å; E42-F44 HydrophobicContact CB-CZ 4.31Å; E42-R67 IonicContact OE1-NH1 3.72Å; E42-R67 PolarHBondContact OE1-NH1 3.21Å
43V97.8Very high94.9Very high3 Ų324.4 Ų24.42%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-111.8128-176.9-172.80000109.9Y36 V37 R67 I68 L71 I76Y36-V43 WeakPolarHBondContact O-CA 3.35Å; V37-V43 HydrophobicContact CG2-CG2 4.26Å; V43-R67 WeakPolarHBondContact O-CA 3.45Å; V43-R67 WeakPolarHBondContact O-CG 3.37Å; V43-I68 HydrophobicContact CG1-CB 4.45Å; V43-I68 HydrophobicContact CG1-CD1 4.02Å; V43-I68 PolarHBondContact O-N 3.22Å; V43-L71 HydrophobicContact CB-CB 3.97Å; V43-L71 HydrophobicContact CG1-CB 4.2Å; V43-L71 HydrophobicContact CG1-CD1 4.24Å; V43-L71 HydrophobicContact CG2-CB 3.78Å; V43-I76 HydrophobicContact CG1-CD1 4.5Å; V43-I76 HydrophobicContact CG2-CD1 4.18Å
44F97.8Very high95Very high30 Ų3024 Ų2413%0.13214%0.139CC..EExtended strand (participates in β ladder)trans-126.3151.6-178.8-69-93.2000111.2L35 Y36 T38 E42 P65 R66 R67L35-F44 WeakPolarHBondContact CA-O 3.44Å; Y36-F44 HydrophobicContact CD1-CB 4.03Å; Y36-F44 HydrophobicContact CD2-CB 4.32Å; Y36-F44 HydrophobicContact CE1-CB 3.43Å; Y36-F44 VanDerWaalsContact CE1-CB 3.43Å; Y36-F44 HydrophobicContact CE1-CG 4.42Å; Y36-F44 HydrophobicContact CE2-CB 3.81Å; Y36-F44 AromaticContact CE2-CD2 3.93Å; Y36-F44 HydrophobicContact CE2-CD2 3.93Å; Y36-F44 HydrophobicContact CE2-CG 4.1Å; Y36-F44 HydrophobicContact CG-CB 4.44Å; Y36-F44 AromaticContact CZ-CG 3.86Å; Y36-F44 PolarHBondContact N-O 3.35Å; Y36-F44 PolarHBondContact O-N 3.41Å; T38-F44 HydrophobicContact CG2-CD2 3.84Å; T38-F44 HydrophobicContact CG2-CE2 3.77Å; E42-F44 HydrophobicContact CB-CD2 4.25Å; E42-F44 HydrophobicContact CB-CE2 3.54Å; E42-F44 HydrophobicContact CB-CZ 4.31Å; F44-P65 HydrophobicContact CB-CB 4.28Å; F44-P65 HydrophobicContact CD1-CB 3.94Å; F44-P65 HydrophobicContact CG-CB 4.42Å; F44-R66 WeakPolarHBondContact CA-O 3.25Å; F44-R67 HydrophobicContact CD1-CB 3.98Å; F44-R67 HydrophobicContact CD1-CG 4.31Å; F44-R67 HydrophobicContact CE1-CB 3.71Å; F44-R67 HydrophobicContact CE1-CG 3.94Å; F44-R67 HydrophobicContact CZ-CB 4.31Å; F44-R67 HydrophobicContact CZ-CG 4.05Å
45A97.8Very high95Very high0 Ų024.2 Ų24.20%014%0.14CC..EExtended strand (participates in β ladder)trans-124.8145.9170.800000110.9A34 L35 L54 L56 R66 I68A34-A45 VanDerWaalsContact O-CA 3.3Å; A34-A45 WeakPolarHBondContact O-CA 3.43Å; L35-A45 HydrophobicContact CD2-CB 3.6Å; A45-L54 HydrophobicContact CB-CB 3.8Å; A45-L54 HydrophobicContact CB-CD2 4.22Å; A45-L54 HydrophobicContact CB-CG 4.38Å; A45-L54 WeakPolarHBondContact CB-O 3.16Å; A45-L56 HydrophobicContact CB-CD2 4.15Å; A45-L56 HydrophobicContact CB-CG 4.38Å; A45-R66 PolarHBondContact N-O 2.94Å; A45-R66 PolarHBondContact O-N 3.21Å; A45-I68 HydrophobicContact CB-CD1 3.95Å; A45-I68 HydrophobicContact CB-CG1 4.29Å
46L96.9Very high94.9Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-144.1161.1166.370.8152000111V9 F10 L12 L13 A34 Y36 L54V9-L46 HydrophobicContact CG2-CD1 4.09Å; V9-L46 HydrophobicContact CG2-CG 4.19Å; F10-L46 HydrophobicContact CD1-CD2 4.38Å; F10-L46 HydrophobicContact CE1-CD2 4.13Å; L12-L46 HydrophobicContact CB-CD1 4.32Å; L12-L46 HydrophobicContact CD1-CD1 4.12Å; L13-L46 HydrophobicContact CD2-CD1 4.12Å; A34-L46 HydrophobicContact CB-CD2 3.87Å; A34-L46 HydrophobicContact CB-CG 4.26Å; A34-L46 PolarHBondContact N-O 3.04Å; A34-L46 PolarHBondContact O-N 3.07Å; Y36-L46 HydrophobicContact CD1-CD2 3.88Å; Y36-L46 HydrophobicContact CE1-CD2 3.56Å; L46-L54 WeakPolarHBondContact O-CD2 3.38Å
47G96Very high94.9Very high12 Ų1226.8 Ų26.812%0.12416%0.163CC..EExtended strand (participates in β ladder)trans113.9-149.7172.100000115.2N32 S61 T62N32-G47 CarbonylContact O-C 3.59Å; N32-G47 WeakPolarHBondContact O-CA 3.49Å; G47-S61 CarbonylContact O-C 3.31Å; G47-S61 VanDerWaalsContact O-CA 3.31Å; G47-S61 WeakPolarHBondContact O-CA 3.36Å; G47-S61 WeakPolarHBondContact O-CB 3.42Å; G47-T62 WeakPolarHBondContact CA-O 3.19Å; G47-T62 PolarHBondContact N-O 3.23Å; G47-T62 PolarHBondContact O-N 2.89Å
48T95.8Very high94.9Very high53 Ų5328.2 Ų28.233%0.32517%0.171SC..  trans-77.2127-179.7-58.90000110.8N32 E33 C50 C53N32-T48 PolarHBondContact O-N 2.87Å; E33-T48 WeakPolarHBondContact CG-O 3.17Å; T48-C50 HydrophobicContact CG2-CB 4.43Å; T48-C53 PolarHBondContact O-SG 3.32Å
49N95.2Very high95Very high2 Ų233 Ų331%0.01120%0.196CC..  trans-106.956-176.8-164.912.4000113G52 C53 L54 D58 Q60 S61N49-G52 WeakPolarHBondContact OD1-CA 3.49Å; N49-C53 PolarHBondContact OD1-N 3.39Å; N49-C53 VanDerWaalsContact OD1-N 3.13Å; N49-L54 HydrophobicContact CB-CB 4.33Å; N49-L54 HydrophobicContact CB-CD1 3.75Å; N49-L54 HydrophobicContact CB-CG 3.8Å; N49-L54 PolarHBondContact OD1-N 3.38Å; N49-D58 PolarHBondContact ND2-O 3.01Å; N49-D58 PolarHBondContact ND2-OD1 3.18Å; N49-Q60 WeakPolarHBondContact CB-O 3.24Å; N49-Q60 PolarHBondContact ND2-O 2.92Å; N49-S61 PolarHBondContact N-OG 3.48Å
50C91.2Very high95.4Very high50 Ų5036.9 Ų36.934%0.33821%0.21SC..G310 helixtrans-73.7133.4177.669.90000110.7T48 G52 C53 P85T48-C50 HydrophobicContact CG2-CB 4.43Å; C50-G52 PolarHBondContact O-N 3.09Å; C50-C53 WeakPolarHBondContact O-CB 3.29Å; C50-C53 PolarHBondContact O-N 3.47Å; C50-C53 PolarHBondContact O-SG 3.26Å; C50-C53 VanDerWaalsContact O-SG 3.33Å; C50-P85 VanDerWaalsContact SG-CD 3.59Å
51S92.4Very high95.8Very high33 Ų3335 Ų3523%0.23121%0.206CC..G310 helixtrans5619.3-176.7-51.50000115.7G100S51-G100 CarbonylContact O-C 3.56Å; S51-G100 WeakPolarHBondContact O-CA 3.42Å
52G95.3Very high96.1Very high0 Ų032.4 Ų32.40%019%0.193CC..G310 helixtrans78.419.6179.800000114N49 C50 L54 G55N49-G52 WeakPolarHBondContact OD1-CA 3.49Å; C50-G52 PolarHBondContact O-N 3.09Å; G52-L54 PolarHBondContact O-N 3.18Å; G52-L54 VanDerWaalsContact O-N 3.16Å; G52-G55 PolarHBondContact O-N 3.14Å
53C96.1Very high96Very high0 Ų035.4 Ų35.40%021%0.209CC..THydrogen-bonded Turntrans-62.2-18.9-175.164.50000114.9F27 T48 N49 C50 G55 P85 W99F27-C53 HydrophobicContact CE2-CB 4.11Å; T48-C53 PolarHBondContact O-SG 3.32Å; N49-C53 PolarHBondContact OD1-N 3.39Å; N49-C53 VanDerWaalsContact OD1-N 3.13Å; C50-C53 WeakPolarHBondContact O-CB 3.29Å; C50-C53 PolarHBondContact O-N 3.47Å; C50-C53 PolarHBondContact O-SG 3.26Å; C50-C53 VanDerWaalsContact O-SG 3.33Å; C53-G55 VanDerWaalsContact C-N 3.31Å; C53-P85 HydrophobicContact CB-CB 3.78Å; C53-P85 HydrophobicContact CB-CG 3.67Å; C53-P85 WeakPolarHBondContact CB-O 3.43Å; C53-W99 PolarHBondContact O-NE1 3.01Å
54L97.6Very high95.8Very high0 Ų042.5 Ų42.50%024%0.242CC..THydrogen-bonded Turntrans-79.9-12.9174.1-59.8-170.4000113.1F27 E33 A45 L46 N49 G52 L56 T62 I68F27-L54 HydrophobicContact CZ-CD2 4.39Å; E33-L54 HydrophobicContact CB-CD2 4.22Å; E33-L54 HydrophobicContact CG-CD2 4.48Å; A45-L54 HydrophobicContact CB-CB 3.8Å; A45-L54 HydrophobicContact CB-CD2 4.22Å; A45-L54 HydrophobicContact CB-CG 4.38Å; A45-L54 WeakPolarHBondContact CB-O 3.16Å; L46-L54 WeakPolarHBondContact O-CD2 3.38Å; N49-L54 HydrophobicContact CB-CB 4.33Å; N49-L54 HydrophobicContact CB-CD1 3.75Å; N49-L54 HydrophobicContact CB-CG 3.8Å; N49-L54 PolarHBondContact OD1-N 3.38Å; G52-L54 PolarHBondContact O-N 3.18Å; G52-L54 VanDerWaalsContact O-N 3.16Å; L54-L56 VanDerWaalsContact C-N 3.3Å; L54-L56 HydrophobicContact CB-CD1 3.75Å; L54-L56 HydrophobicContact CB-CG 3.78Å; L54-L56 HydrophobicContact CD1-CD1 3.87Å; L54-L56 HydrophobicContact CG-CD1 4.49Å; L54-L56 PolarHBondContact O-N 3.45Å; L54-T62 HydrophobicContact CD1-CG2 4.18Å; L54-I68 WeakPolarHBondContact O-CD1 3.24Å
55G97.3Very high95.7Very high3 Ų342.8 Ų42.83%0.03125%0.247CC..  trans72.819.7176.200000114.8G52 C53 L116 P118G52-G55 PolarHBondContact O-N 3.14Å; C53-G55 VanDerWaalsContact C-N 3.31Å; G55-L116 CarbonylContact C-O 3.47Å; G55-L116 VanDerWaalsContact CA-O 3.27Å; G55-L116 WeakPolarHBondContact CA-O 3.31Å; G55-P118 VanDerWaalsContact O-CD 3.31Å; G55-P118 WeakPolarHBondContact O-CD 3.43Å
56L97.3Very high95.7Very high22 Ų2246.4 Ų46.412%0.11526%0.26CS..SBendtrans-87.31.1-171.3-62.1174.7000114.8A45 L54 D58 T62 R66 I68 L116A45-L56 HydrophobicContact CB-CD2 4.15Å; A45-L56 HydrophobicContact CB-CG 4.38Å; L54-L56 VanDerWaalsContact C-N 3.3Å; L54-L56 HydrophobicContact CB-CD1 3.75Å; L54-L56 HydrophobicContact CB-CG 3.78Å; L54-L56 HydrophobicContact CD1-CD1 3.87Å; L54-L56 HydrophobicContact CG-CD1 4.49Å; L54-L56 PolarHBondContact O-N 3.45Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-T62 HydrophobicContact CD1-CG2 4.1Å; L56-R66 HydrophobicContact CD1-CB 3.86Å; L56-R66 HydrophobicContact CD1-CG 4.43Å; L56-R66 HydrophobicContact CD2-CB 3.53Å; L56-R66 HydrophobicContact CG-CB 4.32Å; L56-R66 PolarHBondContact O-NH2 2.98Å; L56-I68 HydrophobicContact CD2-CG1 4.08Å; L56-L116 PolarHBondContact N-O 3.28Å
57G96.8Very high95.7Very high39 Ų3952.2 Ų52.240%0.40228%0.282SS..SBendtrans844.4-177.400000115.1L116 T117G57-L116 WeakPolarHBondContact CA-O 3.48Å; G57-L116 PolarHBondContact N-O 3.19Å; G57-T117 VanDerWaalsContact CA-CG2 3.48Å
58D95.9Very high95.8Very high37 Ų3751.9 Ų51.920%0.19828%0.278CS..SBendtrans-144.7-174.1178.161.756.9000111.2N49 L56 Q60 R66N49-D58 PolarHBondContact ND2-O 3.01Å; N49-D58 PolarHBondContact ND2-OD1 3.18Å; L56-D58 VanDerWaalsContact C-N 3.33Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.41Å; D58-Q60 PolarHBondContact OD1-N 3.47Å; D58-R66 IonicContact OD1-NH1 2.72Å; D58-R66 PolarHBondContact OD1-NH1 3.43Å; D58-R66 IonicContact OD2-CZ 3.22Å; D58-R66 VanDerWaalsContact OD2-CZ 3.24Å; D58-R66 IonicContact OD2-NH1 2.85Å; D58-R66 PolarHBondContact OD2-NH1 3.14Å; D58-R66 IonicContact OD2-NH2 3.18Å; D58-R66 PolarHBondContact OD2-NH2 3.48Å
59L95.8Very high95.8Very high106 Ų10654.2 Ų54.256%0.55529%0.288SS*.  trans-110.612.2177.1-63.3175.5000112.4L116L59-L116 HydrophobicContact CD2-CD2 3.52Å; L59-L116 HydrophobicContact CG-CD2 4.05Å
60Q96.4Very high95.9Very high138 Ų13858 Ų5865%0.64531%0.308SS*.  trans-82.6127.8-176.3-64.1-173.8-2.400109.9N49 D58N49-Q60 WeakPolarHBondContact CB-O 3.24Å; N49-Q60 PolarHBondContact ND2-O 2.92Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.41Å; D58-Q60 PolarHBondContact OD1-N 3.47Å
61S96.7Very high96.2Very high73 Ų7355.7 Ų55.751%0.5129%0.292SS..  trans-74.4147.4171.5-57.30000109.3G47 N49G47-S61 CarbonylContact O-C 3.31Å; G47-S61 VanDerWaalsContact O-CA 3.31Å; G47-S61 WeakPolarHBondContact O-CA 3.36Å; G47-S61 WeakPolarHBondContact O-CB 3.42Å; N49-S61 PolarHBondContact N-OG 3.48Å
62T95.5Very high96.3Very high24 Ų2455.9 Ų55.915%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-138.3139.3-176.8-170.40000110.7G47 L54 L56 E64 R66G47-T62 WeakPolarHBondContact CA-O 3.19Å; G47-T62 PolarHBondContact N-O 3.23Å; G47-T62 PolarHBondContact O-N 2.89Å; L54-T62 HydrophobicContact CD1-CG2 4.18Å; L56-T62 HydrophobicContact CD1-CG2 4.1Å; T62-E64 WeakPolarHBondContact CB-O 3.36Å; T62-E64 WeakPolarHBondContact CG2-O 3.44Å; T62-E64 PolarHBondContact OG1-N 3.32Å; T62-E64 PolarHBondContact OG1-O 3.49Å; T62-R66 HydrophobicContact CG2-CG 4.17Å
63I93.7Very high96.2Very high118 Ų11858.9 Ų58.961%0.60532%0.323SS*.EExtended strand (participates in β ladder)trans-91.4-33.2171.4-71.8168.6000109.7L12L12-I63 HydrophobicContact CB-CG2 4.33Å; L12-I63 HydrophobicContact CD1-CG2 4.06Å; L12-I63 HydrophobicContact CD2-CG2 3.98Å; L12-I63 HydrophobicContact CG-CG2 4.34Å
64E94.8Very high96.1Very high153 Ų15361.2 Ų61.272%0.71533%0.334SS*.EExtended strand (participates in β ladder)trans-80.7137.3173.7-65.1-178.2176.900109.9T62 R66T62-E64 WeakPolarHBondContact CB-O 3.36Å; T62-E64 WeakPolarHBondContact CG2-O 3.44Å; T62-E64 PolarHBondContact OG1-N 3.32Å; T62-E64 PolarHBondContact OG1-O 3.49Å; E64-R66 PolarHBondContact O-N 2.92Å
65P96.3Very high95.9Very high35 Ų3567.8 Ų67.823%0.22736%0.362CS..EExtended strand (participates in β ladder)trans-56.9133.9174.5-27.536.3000113L13 Y36 F44L13-P65 HydrophobicContact CD2-CG 3.26Å; Y36-P65 HydrophobicContact CE1-CB 4.29Å; Y36-P65 HydrophobicContact CE1-CG 4.39Å; Y36-P65 WeakPolarHBondContact OH-CB 3.36Å; Y36-P65 WeakPolarHBondContact OH-CG 3.42Å; F44-P65 HydrophobicContact CB-CB 4.28Å; F44-P65 HydrophobicContact CD1-CB 3.94Å; F44-P65 HydrophobicContact CG-CB 4.42Å
66R97.4Very high95.8Very high77 Ų7767.9 Ų67.929%0.29136%0.362SS..EExtended strand (participates in β ladder)trans-117.8134.5171.8-70.917756.4-1601.1109.4F44 A45 L56 D58 T62 E64F44-R66 WeakPolarHBondContact CA-O 3.25Å; A45-R66 PolarHBondContact N-O 2.94Å; A45-R66 PolarHBondContact O-N 3.21Å; L56-R66 HydrophobicContact CD1-CB 3.86Å; L56-R66 HydrophobicContact CD1-CG 4.43Å; L56-R66 HydrophobicContact CD2-CB 3.53Å; L56-R66 HydrophobicContact CG-CB 4.32Å; L56-R66 PolarHBondContact O-NH2 2.98Å; D58-R66 IonicContact OD1-NH1 2.72Å; D58-R66 PolarHBondContact OD1-NH1 3.43Å; D58-R66 IonicContact OD2-CZ 3.22Å; D58-R66 VanDerWaalsContact OD2-CZ 3.24Å; D58-R66 IonicContact OD2-NH1 2.85Å; D58-R66 PolarHBondContact OD2-NH1 3.14Å; D58-R66 IonicContact OD2-NH2 3.18Å; D58-R66 PolarHBondContact OD2-NH2 3.48Å; T62-R66 HydrophobicContact CG2-CG 4.17Å; E64-R66 PolarHBondContact O-N 2.92Å
67R97.3Very high95.8Very high121 Ų12170 Ų7046%0.45738%0.376SS..EExtended strand (participates in β ladder)trans-74144.4-177.7-159.1171.171.2-179.4-1.2111.3E42 V43 F44 D69E42-R67 IonicContact OE1-NH1 3.72Å; E42-R67 PolarHBondContact OE1-NH1 3.21Å; V43-R67 WeakPolarHBondContact O-CA 3.45Å; V43-R67 WeakPolarHBondContact O-CG 3.37Å; F44-R67 HydrophobicContact CD1-CB 3.98Å; F44-R67 HydrophobicContact CD1-CG 4.31Å; F44-R67 HydrophobicContact CE1-CB 3.71Å; F44-R67 HydrophobicContact CE1-CG 3.94Å; F44-R67 HydrophobicContact CZ-CB 4.31Å; F44-R67 HydrophobicContact CZ-CG 4.05Å; R67-D69 IonicContact CZ-OD1 3.38Å; R67-D69 IonicContact NE-OD1 2.71Å; R67-D69 PolarHBondContact NE-OD1 3.21Å; R67-D69 IonicContact NH2-OD1 3.98Å; R67-D69 PolarHBondContact NH2-OD1 3.21Å
68I97.8Very high95.8Very high5 Ų569 Ų693%0.02636%0.362CS..  trans-108.785.8174.8-49.3172.8000108.6L35 V43 A45 L54 L56 I70 L71 C72 P118L35-I68 HydrophobicContact CD2-CD1 3.33Å; V43-I68 HydrophobicContact CG1-CB 4.45Å; V43-I68 HydrophobicContact CG1-CD1 4.02Å; V43-I68 PolarHBondContact O-N 3.22Å; A45-I68 HydrophobicContact CB-CD1 3.95Å; A45-I68 HydrophobicContact CB-CG1 4.29Å; L54-I68 WeakPolarHBondContact O-CD1 3.24Å; L56-I68 HydrophobicContact CD2-CG1 4.08Å; I68-I70 PolarHBondContact O-N 2.94Å; I68-I70 VanDerWaalsContact O-N 3.09Å; I68-L71 HydrophobicContact CD1-CD1 4.47Å; I68-L71 HydrophobicContact CG2-CB 4.36Å; I68-L71 HydrophobicContact CG2-CD1 3.98Å; I68-L71 HydrophobicContact CG2-CG 3.96Å; I68-L71 PolarHBondContact O-N 3.4Å; I68-C72 PolarHBondContact O-N 3.24Å; I68-P118 HydrophobicContact CG2-CG 3.64Å
69D95.9Very high95.9Very high103 Ų10367.8 Ų67.855%0.55136%0.356SS*.THydrogen-bonded Turntrans-57.1-32.7-169.1-63.5-55.9000114.3R67 L71 C72R67-D69 IonicContact CZ-OD1 3.38Å; R67-D69 IonicContact NE-OD1 2.71Å; R67-D69 PolarHBondContact NE-OD1 3.21Å; R67-D69 IonicContact NH2-OD1 3.98Å; R67-D69 PolarHBondContact NH2-OD1 3.21Å; D69-L71 PolarHBondContact O-N 3.44Å; D69-C72 PolarHBondContact O-N 3.42Å
70I96.4Very high96Very high81 Ų8163.7 Ų63.742%0.41534%0.336SS..THydrogen-bonded Turntrans-63-27-179.2-62.5172.8000112.1I68 K74 F97 P118I68-I70 PolarHBondContact O-N 2.94Å; I68-I70 VanDerWaalsContact O-N 3.09Å; I70-K74 WeakPolarHBondContact O-CE 3.37Å; I70-F97 HydrophobicContact CG2-CD1 4.49Å; I70-F97 HydrophobicContact CG2-CE1 4.21Å; I70-P118 HydrophobicContact CG2-CB 4.39Å
71L96.9Very high96Very high1 Ų157.5 Ų57.51%0.00531%0.307CS..THydrogen-bonded Turntrans-100.6-14.8-175.7-60.2-176.4000113.4V43 I68 D69 G73 K74 I89 F97 W99 P118V43-L71 HydrophobicContact CB-CB 3.97Å; V43-L71 HydrophobicContact CG1-CB 4.2Å; V43-L71 HydrophobicContact CG1-CD1 4.24Å; V43-L71 HydrophobicContact CG2-CB 3.78Å; I68-L71 HydrophobicContact CD1-CD1 4.47Å; I68-L71 HydrophobicContact CG2-CB 4.36Å; I68-L71 HydrophobicContact CG2-CD1 3.98Å; I68-L71 HydrophobicContact CG2-CG 3.96Å; I68-L71 PolarHBondContact O-N 3.4Å; D69-L71 PolarHBondContact O-N 3.44Å; L71-G73 PolarHBondContact O-N 2.86Å; L71-K74 HydrophobicContact CD2-CD 4.46Å; L71-K74 WeakPolarHBondContact O-CB 3.27Å; L71-K74 PolarHBondContact O-N 3.49Å; L71-I89 HydrophobicContact CD1-CD1 3.69Å; L71-I89 HydrophobicContact CD2-CD1 3.41Å; L71-I89 VanDerWaalsContact CD2-CD1 3.41Å; L71-I89 HydrophobicContact CG-CD1 4.14Å; L71-F97 HydrophobicContact CD2-CB 4.38Å; L71-F97 HydrophobicContact CD2-CD1 4.29Å; L71-F97 HydrophobicContact CD2-CD2 4.3Å; L71-F97 HydrophobicContact CD2-CG 4.07Å; L71-W99 HydrophobicContact CD1-CH2 3.68Å; L71-W99 HydrophobicContact CD1-CZ2 4.37Å; L71-W99 HydrophobicContact CD1-CZ3 4.07Å; L71-P118 HydrophobicContact CD1-CB 4.25Å; L71-P118 HydrophobicContact CD1-CG 3.82Å; L71-P118 HydrophobicContact CD2-CB 3.99Å; L71-P118 HydrophobicContact CD2-CG 4.37Å; L71-P118 HydrophobicContact CG-CB 4.13Å; L71-P118 HydrophobicContact CG-CG 3.96Å
72C95.4Very high96Very high38 Ų3854 Ų5426%0.25728%0.283SS..THydrogen-bonded Turntrans-60.4134.8178.7-67.70000111.4I68 D69 K74I68-C72 PolarHBondContact O-N 3.24Å; D69-C72 PolarHBondContact O-N 3.42Å; C72-K74 PolarHBondContact O-N 3.43Å
73G92.1Very high95.8Very high62 Ų6255.1 Ų55.164%0.63929%0.289SS*.THydrogen-bonded Turntrans76.7-3.1-175.800000114.6D41 L71D41-G73 PolarHBondContact O-N 3.47Å; L71-G73 PolarHBondContact O-N 2.86Å
74K94.1Very high95.4Very high49 Ų4950.5 Ų50.521%0.21327%0.271CS..  trans-90.2119.5171.2-63.8-176.6174.1-710109.2I70 L71 C72 I76 T91 E95 F97I70-K74 WeakPolarHBondContact O-CE 3.37Å; L71-K74 HydrophobicContact CD2-CD 4.46Å; L71-K74 WeakPolarHBondContact O-CB 3.27Å; L71-K74 PolarHBondContact O-N 3.49Å; C72-K74 PolarHBondContact O-N 3.43Å; K74-I76 PolarHBondContact O-N 3.33Å; K74-I76 VanDerWaalsContact O-N 3.13Å; K74-T91 HydrophobicContact CB-CG2 4.03Å; K74-T91 HydrophobicContact CD-CG2 4.25Å; K74-E95 IonicContact NZ-OE2 2.67Å; K74-E95 PolarHBondContact NZ-OE2 3Å; K74-F97 HydrophobicContact CD-CE2 3.83Å; K74-F97 HydrophobicContact CD-CZ 3.93Å
75K94.2Very high95.2Very high139 Ų13943.2 Ų43.260%0.60424%0.237SC*.  trans-71.4107.7177.3-171.1172.6-174.1172.60110.5T91 A92K75-T91 CarbonylContact O-C 3.5Å; K75-T91 WeakPolarHBondContact O-CA 3.46Å; K75-A92 HydrophobicContact CB-CB 3.89Å; K75-A92 HydrophobicContact CD-CB 4.15Å; K75-A92 HydrophobicContact CG-CB 4.15Å; K75-A92 PolarHBondContact O-N 3.36Å
76I96Very high95.3Very high5 Ų541.6 Ų41.63%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-79.8124.2179.8-56-179000109.4Q23 V37 V43 K74 L79 I89 L345Q23-I76 PolarHBondContact NE2-O 3.05Å; Q23-I76 VanDerWaalsContact NE2-O 3.11Å; Q23-I76 PolarHBondContact OE1-O 3.23Å; V37-I76 HydrophobicContact CG2-CD1 3.93Å; V43-I76 HydrophobicContact CG1-CD1 4.5Å; V43-I76 HydrophobicContact CG2-CD1 4.18Å; K74-I76 PolarHBondContact O-N 3.33Å; K74-I76 VanDerWaalsContact O-N 3.13Å; I76-L79 HydrophobicContact CG2-CB 4.43Å; I76-I89 HydrophobicContact CD1-CD1 4.19Å; I76-I89 HydrophobicContact CG1-CD1 4.41Å; I76-I89 HydrophobicContact CG2-CB 4.28Å; I76-I89 HydrophobicContact CG2-CG2 4.46Å; I76-L345 HydrophobicContact CG2-CD2 3.8Å
77V95.8Very high95.3Very high67 Ų6737.9 Ų37.941%0.40621%0.212SC..EExtended strand (participates in β ladder)trans-106.7-26.3-179.7-62.80000113A90 A92V77-A90 HydrophobicContact CG2-CB 4.19Å; V77-A90 WeakPolarHBondContact CG2-O 3.5Å; V77-A90 PolarHBondContact N-O 3.38Å; V77-A92 HydrophobicContact CG1-CB 3.78Å
78S97.5Very high95.4Very high16 Ų1632.1 Ų32.111%0.11219%0.191CC..EExtended strand (participates in β ladder)trans-147.4140.8176.9-174.50000109.2I89 A90 V133S78-I89 CarbonylContact O-C 3.53Å; S78-I89 VanDerWaalsContact O-CA 3.3Å; S78-I89 WeakPolarHBondContact O-CA 3.45Å; S78-A90 PolarHBondContact N-O 3.39Å; S78-A90 PolarHBondContact O-N 3.27Å; S78-V133 WeakPolarHBondContact OG-CG2 3.23Å; S78-V133 PolarHBondContact OG-N 3.05Å
79L97.6Very high95.4Very high13 Ų1331.9 Ų31.97%0.06819%0.189CC..EExtended strand (participates in β ladder)trans-139.7132.3174.4-178.5161.4000108.1C25 L35 I76 Y81 V87 V88 I89 L345C25-L79 HydrophobicContact CB-CD1 4.03Å; C25-L79 HydrophobicContact CB-CD2 3.56Å; C25-L79 HydrophobicContact CB-CG 4.39Å; C25-L79 WeakPolarHBondContact SG-CD2 3.42Å; L35-L79 HydrophobicContact CB-CD1 4.37Å; L35-L79 HydrophobicContact CD1-CD1 4.07Å; I76-L79 HydrophobicContact CG2-CB 4.43Å; L79-Y81 HydrophobicContact CD2-CD1 4.33Å; L79-V87 HydrophobicContact CD2-CG1 4.36Å; L79-V87 HydrophobicContact CG-CG1 4.27Å; L79-V88 WeakPolarHBondContact CA-O 3.27Å; L79-I89 HydrophobicContact CB-CG2 4.01Å; L79-I89 HydrophobicContact CD1-CG2 3.77Å; L79-I89 HydrophobicContact CG-CG2 3.68Å; L79-L345 HydrophobicContact CB-CB 4.2Å; L79-L345 HydrophobicContact CB-CD1 4.07Å; L79-L345 HydrophobicContact CB-CD2 4.33Å; L79-L345 HydrophobicContact CB-CG 4.44Å; L79-L345 HydrophobicContact CD1-CD1 4.37Å
80S97.9Very high95.5Very high19 Ų1927 Ų2713%0.13316%0.163CC..EExtended strand (participates in β ladder)trans-139.8158.6173.81790000110.4V88 V133 C135S80-V88 PolarHBondContact N-O 3.04Å; S80-V88 PolarHBondContact O-N 3.45Å; S80-V88 VanDerWaalsContact O-O 3.07Å; S80-V133 VanDerWaalsContact CB-O 3.3Å; S80-V133 WeakPolarHBondContact CB-O 3.47Å; S80-C135 VanDerWaalsContact OG-CB 3.3Å; S80-C135 WeakPolarHBondContact OG-CB 3.4Å; S80-C135 PolarHBondContact OG-N 3.22Å; S80-C135 PolarHBondContact OG-SG 3.25Å
81Y97.8Very high95.5Very high8 Ų823.2 Ų23.23%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-142.5159.1-176.558.8-93.6000111C25 F27 L79 H86 C135 H293 V341 T342C25-Y81 VanDerWaalsContact SG-CD1 3.5Å; C25-Y81 VanDerWaalsContact SG-CE1 3.52Å; F27-Y81 HydrophobicContact CB-CD1 3.43Å; F27-Y81 VanDerWaalsContact CB-CD1 3.43Å; F27-Y81 HydrophobicContact CB-CD2 3.44Å; F27-Y81 VanDerWaalsContact CB-CD2 3.44Å; F27-Y81 HydrophobicContact CB-CE1 3.56Å; F27-Y81 HydrophobicContact CB-CE2 3.56Å; F27-Y81 HydrophobicContact CB-CG 3.36Å; F27-Y81 HydrophobicContact CD2-CG 4.43Å; F27-Y81 HydrophobicContact CG-CD1 4.18Å; F27-Y81 HydrophobicContact CG-CD2 4.38Å; F27-Y81 HydrophobicContact CG-CG 4.02Å; L79-Y81 HydrophobicContact CD2-CD1 4.33Å; Y81-H86 CarbonylContact C-O 3.47Å; Y81-H86 WeakPolarHBondContact CA-O 3.42Å; Y81-H86 WeakPolarHBondContact CB-O 3.35Å; Y81-C135 VanDerWaalsContact C-CB 3.45Å; Y81-C135 VanDerWaalsContact O-CB 3.23Å; Y81-C135 WeakPolarHBondContact O-CB 3.37Å; Y81-H293 AromaticContact CD2-CE1 3.87Å; Y81-H293 AromaticContact CE2-CE1 3.73Å; Y81-H293 PolarHBondContact O-CE1 3.07Å; Y81-V341 VanDerWaalsContact OH-CB 3.24Å; Y81-V341 WeakPolarHBondContact OH-CB 3.39Å; Y81-V341 WeakPolarHBondContact OH-CG2 3.35Å; Y81-T342 WeakPolarHBondContact CE1-O 3.28Å; Y81-T342 PolarHBondContact OH-O 2.92Å
82G96Very high95.4Very high1 Ų124.5 Ų24.51%0.0115%0.154CC..  trans-118.7-159.3173.800000114.9P85 H86 G136G82-P85 WeakPolarHBondContact O-CA 3.13Å; G82-H86 VanDerWaalsContact CA-CE1 3.45Å; G82-H86 WeakPolarHBondContact CA-CE1 3.43Å; G82-H86 PolarHBondContact N-O 3.21Å; G82-G136 WeakPolarHBondContact CA-O 3.32Å
83T92.1Very high95.4Very high46 Ų4628.5 Ų28.528%0.28217%0.173SC..SBendtrans-88.4145.3-179.4-56.60000112.4S137 H138T83-S137 PolarHBondContact N-O 3.35Å; T83-H138 PolarHBondContact O-CE1 3.07Å; T83-H138 VanDerWaalsContact O-CE1 3.25Å; T83-H138 PolarHBondContact O-ND1 3.48Å
84G83.5Confident95.5Very high21 Ų2125.8 Ų25.822%0.21615%0.145CC..SBendtrans54.664.8-16800000106.9H86 H101G84-H86 PolarHBondContact O-N 2.81Å; G84-H101 WeakPolarHBondContact O-CB 3.22Å; G84-H101 VanDerWaalsContact O-CG 3.27Å
85P91.6Very high95.7Very high1 Ų126.4 Ų26.41%0.00615%0.149CC..  trans-51.4130.1-133.59.5-28.6000115.8F27 C50 C53 G82 H101F27-P85 HydrophobicContact CD2-CB 3.68Å; F27-P85 HydrophobicContact CD2-CG 4.11Å; F27-P85 HydrophobicContact CE2-CB 3.8Å; F27-P85 HydrophobicContact CE2-CG 4.14Å; C50-P85 VanDerWaalsContact SG-CD 3.59Å; C53-P85 HydrophobicContact CB-CB 3.78Å; C53-P85 HydrophobicContact CB-CG 3.67Å; C53-P85 WeakPolarHBondContact CB-O 3.43Å; G82-P85 WeakPolarHBondContact O-CA 3.13Å; P85-H101 PolarHBondContact O-N 3.39Å
86H97.3Very high95.9Very high0 Ų019.9 Ų19.90%012%0.121CC..EExtended strand (participates in β ladder)trans-105.1143.6155.170.7-78.4000107.2Y81 G82 G84 W99 H101 Q106 L107 S137 T140Y81-H86 CarbonylContact C-O 3.47Å; Y81-H86 WeakPolarHBondContact CA-O 3.42Å; Y81-H86 WeakPolarHBondContact CB-O 3.35Å; G82-H86 VanDerWaalsContact CA-CE1 3.45Å; G82-H86 WeakPolarHBondContact CA-CE1 3.43Å; G82-H86 PolarHBondContact N-O 3.21Å; G84-H86 PolarHBondContact O-N 2.81Å; H86-W99 CarbonylContact C-O 3.17Å; H86-W99 VanDerWaalsContact CA-O 3.3Å; H86-W99 WeakPolarHBondContact CA-O 3.5Å; H86-H101 VanDerWaalsContact CB-O 3.3Å; H86-H101 WeakPolarHBondContact CB-O 3.27Å; H86-Q106 HydrophobicContact CB-CG 3.84Å; H86-L107 HydrophobicContact CB-CD2 3.96Å; H86-S137 PolarHBondContact CE1-O 3Å; H86-T140 PolarHBondContact NE2-OG1 2.94Å
87V98.3Very high96Very high0 Ų020.2 Ų20.20%012%0.122CC..EExtended strand (participates in β ladder)trans-118.6138.1-179.4-177.80000108.1F27 L35 L79 I89 A98 W99F27-V87 HydrophobicContact CD2-CG2 4.4Å; F27-V87 HydrophobicContact CE1-CG2 4.46Å; F27-V87 HydrophobicContact CE2-CG2 3.76Å; F27-V87 HydrophobicContact CZ-CG2 3.79Å; L35-V87 HydrophobicContact CD1-CG1 3.76Å; L35-V87 HydrophobicContact CD1-CG2 4.25Å; L79-V87 HydrophobicContact CD2-CG1 4.36Å; L79-V87 HydrophobicContact CG-CG1 4.27Å; V87-I89 HydrophobicContact CG1-CG2 4.35Å; V87-A98 VanDerWaalsContact O-CA 3.26Å; V87-A98 WeakPolarHBondContact O-CA 3.44Å; V87-W99 HydrophobicContact CB-CD2 4.12Å; V87-W99 HydrophobicContact CB-CH2 4.2Å; V87-W99 HydrophobicContact CB-CZ2 3.75Å; V87-W99 HydrophobicContact CG1-CH2 3.6Å; V87-W99 HydrophobicContact CG1-CZ2 3.46Å; V87-W99 VanDerWaalsContact CG1-CZ2 3.46Å; V87-W99 HydrophobicContact CG1-CZ3 4.21Å; V87-W99 HydrophobicContact CG2-CZ2 4.41Å; V87-W99 PolarHBondContact N-O 3.33Å; V87-W99 PolarHBondContact O-N 3.31Å
88V98.4Very high96.1Very high0 Ų017.1 Ų17.10%010%0.104CC..EExtended strand (participates in β ladder)trans-132.5131.1176.8-173.20000108.2L79 S80 V96 F97 A98 V133 T140L79-V88 WeakPolarHBondContact CA-O 3.27Å; S80-V88 PolarHBondContact N-O 3.04Å; S80-V88 PolarHBondContact O-N 3.45Å; S80-V88 VanDerWaalsContact O-O 3.07Å; V88-V96 HydrophobicContact CG1-CG1 3.62Å; V88-F97 WeakPolarHBondContact CA-O 3.35Å; V88-A98 HydrophobicContact CG2-CB 4.06Å; V88-V133 HydrophobicContact CG1-CB 4.19Å; V88-V133 HydrophobicContact CG1-CG1 4.01Å; V88-V133 HydrophobicContact CG1-CG2 4.36Å; V88-T140 HydrophobicContact CB-CG2 4.28Å; V88-T140 HydrophobicContact CG1-CG2 4.09Å; V88-T140 HydrophobicContact CG2-CG2 3.9Å
89I98.1Very high96.2Very high0 Ų016.4 Ų16.40%010%0.099CC..EExtended strand (participates in β ladder)trans-123.6150.817666.9176.2000110.3L71 I76 S78 L79 V87 V96 F97 W99L71-I89 HydrophobicContact CD1-CD1 3.69Å; L71-I89 HydrophobicContact CD2-CD1 3.41Å; L71-I89 VanDerWaalsContact CD2-CD1 3.41Å; L71-I89 HydrophobicContact CG-CD1 4.14Å; I76-I89 HydrophobicContact CD1-CD1 4.19Å; I76-I89 HydrophobicContact CG1-CD1 4.41Å; I76-I89 HydrophobicContact CG2-CB 4.28Å; I76-I89 HydrophobicContact CG2-CG2 4.46Å; S78-I89 CarbonylContact O-C 3.53Å; S78-I89 VanDerWaalsContact O-CA 3.3Å; S78-I89 WeakPolarHBondContact O-CA 3.45Å; L79-I89 HydrophobicContact CB-CG2 4.01Å; L79-I89 HydrophobicContact CD1-CG2 3.77Å; L79-I89 HydrophobicContact CG-CG2 3.68Å; V87-I89 HydrophobicContact CG1-CG2 4.35Å; I89-V96 VanDerWaalsContact O-CA 3.27Å; I89-V96 WeakPolarHBondContact O-CA 3.48Å; I89-F97 HydrophobicContact CD1-CB 3.98Å; I89-F97 HydrophobicContact CD1-CD2 4.25Å; I89-F97 HydrophobicContact CD1-CG 4.41Å; I89-F97 HydrophobicContact CG1-CB 3.73Å; I89-F97 HydrophobicContact CG1-CD2 4.32Å; I89-F97 HydrophobicContact CG1-CG 4.47Å; I89-F97 PolarHBondContact N-O 3.37Å; I89-F97 PolarHBondContact O-N 3.38Å; I89-W99 HydrophobicContact CD1-CH2 4.25Å; I89-W99 HydrophobicContact CD1-CZ3 4.06Å; I89-W99 HydrophobicContact CG1-CH2 4.46Å; I89-W99 HydrophobicContact CG1-CZ3 4.05Å; I89-W99 HydrophobicContact CG2-CH2 3.76Å; I89-W99 HydrophobicContact CG2-CZ3 4.05Å
90A97.9Very high96.2Very high0 Ų015.8 Ų15.80%010%0.095CC..EExtended strand (participates in β ladder)trans-114.3138.716300000109.8V77 S78 E95 V130 V133V77-A90 HydrophobicContact CG2-CB 4.19Å; V77-A90 WeakPolarHBondContact CG2-O 3.5Å; V77-A90 PolarHBondContact N-O 3.38Å; S78-A90 PolarHBondContact N-O 3.39Å; S78-A90 PolarHBondContact O-N 3.27Å; A90-E95 WeakPolarHBondContact CA-O 3.31Å; A90-V130 HydrophobicContact CB-CB 4.42Å; A90-V130 HydrophobicContact CB-CG1 3.91Å; A90-V133 HydrophobicContact CB-CG1 4.14Å
91T97Very high96.2Very high1 Ų116.6 Ų16.61%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-98.3165176.372.20000111.5K74 K75 D93 G94 E95 F97K74-T91 HydrophobicContact CB-CG2 4.03Å; K74-T91 HydrophobicContact CD-CG2 4.25Å; K75-T91 CarbonylContact O-C 3.5Å; K75-T91 WeakPolarHBondContact O-CA 3.46Å; T91-D93 PolarHBondContact O-N 3.13Å; T91-G94 WeakPolarHBondContact O-CA 3.43Å; T91-G94 PolarHBondContact O-N 2.96Å; T91-E95 HydrophobicContact CG2-CB 4.45Å; T91-E95 PolarHBondContact N-O 3.14Å; T91-E95 WeakPolarHBondContact OG1-CB 3.19Å; T91-E95 PolarHBondContact OG1-N 3.49Å; T91-F97 HydrophobicContact CG2-CD2 4.18Å; T91-F97 HydrophobicContact CG2-CE2 4.06Å
92A94.8Very high96.2Very high28 Ų2816.2 Ų16.223%0.23110%0.095CC..THydrogen-bonded Turntrans-61.7-26.1177.900000113.6K75 V77 G94 R129K75-A92 HydrophobicContact CB-CB 3.89Å; K75-A92 HydrophobicContact CD-CB 4.15Å; K75-A92 HydrophobicContact CG-CB 4.15Å; K75-A92 PolarHBondContact O-N 3.36Å; V77-A92 HydrophobicContact CG1-CB 3.78Å; A92-G94 PolarHBondContact O-N 3.15Å; A92-R129 PolarHBondContact O-NH2 2.89Å; A92-R129 VanDerWaalsContact O-NH2 3.14Å
93D94.6Very high96.2Very high122 Ų12217.8 Ų17.865%0.65211%0.111SC*.THydrogen-bonded Turntrans-75.1-9.6173.2-60.3-38.5000112.3T91 E95T91-D93 PolarHBondContact O-N 3.13Å; D93-E95 HydrophobicContact CB-CG 4.42Å
94G95.7Very high96.5Very high5 Ų519.9 Ų19.95%0.05212%0.115CC..  trans88.18.2179.500000114.8T91 A92 V130T91-G94 WeakPolarHBondContact O-CA 3.43Å; T91-G94 PolarHBondContact O-N 2.96Å; A92-G94 PolarHBondContact O-N 3.15Å; G94-V130 WeakPolarHBondContact CA-O 3.48Å; G94-V130 PolarHBondContact O-N 2.92Å; G94-V130 VanDerWaalsContact O-N 3.14Å
95E97.1Very high97.1Very high62 Ų6219.3 Ų19.329%0.2911%0.107SC..  trans-74.4144.7176.2-58.2-178.1119.300110.8K74 A90 T91 D93 F97 L120K74-E95 IonicContact NZ-OE2 2.67Å; K74-E95 PolarHBondContact NZ-OE2 3Å; A90-E95 WeakPolarHBondContact CA-O 3.31Å; T91-E95 HydrophobicContact CG2-CB 4.45Å; T91-E95 PolarHBondContact N-O 3.14Å; T91-E95 WeakPolarHBondContact OG1-CB 3.19Å; T91-E95 PolarHBondContact OG1-N 3.49Å; D93-E95 HydrophobicContact CB-CG 4.42Å; E95-F97 HydrophobicContact CB-CD2 4.42Å; E95-F97 HydrophobicContact CB-CE2 3.76Å; E95-L120 HydrophobicContact CB-CD1 3.85Å; E95-L120 HydrophobicContact CG-CD1 4.31Å
96V98.3Very high97.4Very high3 Ų319.2 Ų19.22%0.01811%0.107CC..EExtended strand (participates in β ladder)trans-113.2125.7175.51790000110.2V88 I89 V121 L125 V130V88-V96 HydrophobicContact CG1-CG1 3.62Å; I89-V96 VanDerWaalsContact O-CA 3.27Å; I89-V96 WeakPolarHBondContact O-CA 3.48Å; V96-V121 HydrophobicContact CB-CB 4.32Å; V96-V121 HydrophobicContact CG1-CB 4.18Å; V96-V121 HydrophobicContact CG1-CG2 4.06Å; V96-V121 PolarHBondContact O-N 2.78Å; V96-L125 HydrophobicContact CB-CD1 4.42Å; V96-L125 HydrophobicContact CG2-CD1 4.27Å; V96-V130 HydrophobicContact CG2-CB 3.55Å; V96-V130 HydrophobicContact CG2-CG1 3.67Å; V96-V130 HydrophobicContact CG2-CG2 3.52Å
97F98.3Very high97.4Very high12 Ų1219.4 Ų19.45%0.05311%0.108CC..EExtended strand (participates in β ladder)trans-113.2141.1171.6-63.3-102.8000110.1I70 L71 K74 V88 I89 T91 E95 W99 P118 A119 L120I70-F97 HydrophobicContact CG2-CD1 4.49Å; I70-F97 HydrophobicContact CG2-CE1 4.21Å; L71-F97 HydrophobicContact CD2-CB 4.38Å; L71-F97 HydrophobicContact CD2-CD1 4.29Å; L71-F97 HydrophobicContact CD2-CD2 4.3Å; L71-F97 HydrophobicContact CD2-CG 4.07Å; K74-F97 HydrophobicContact CD-CE2 3.83Å; K74-F97 HydrophobicContact CD-CZ 3.93Å; V88-F97 WeakPolarHBondContact CA-O 3.35Å; I89-F97 HydrophobicContact CD1-CB 3.98Å; I89-F97 HydrophobicContact CD1-CD2 4.25Å; I89-F97 HydrophobicContact CD1-CG 4.41Å; I89-F97 HydrophobicContact CG1-CB 3.73Å; I89-F97 HydrophobicContact CG1-CD2 4.32Å; I89-F97 HydrophobicContact CG1-CG 4.47Å; I89-F97 PolarHBondContact N-O 3.37Å; I89-F97 PolarHBondContact O-N 3.38Å; T91-F97 HydrophobicContact CG2-CD2 4.18Å; T91-F97 HydrophobicContact CG2-CE2 4.06Å; E95-F97 HydrophobicContact CB-CD2 4.42Å; E95-F97 HydrophobicContact CB-CE2 3.76Å; F97-W99 HydrophobicContact CB-CZ3 4.26Å; F97-P118 HydrophobicContact CB-CB 4.27Å; F97-P118 HydrophobicContact CD1-CB 4.32Å; F97-A119 VanDerWaalsContact CA-O 3.3Å; F97-A119 WeakPolarHBondContact CA-O 3.24Å; F97-L120 HydrophobicContact CD1-CB 4.35Å; F97-L120 HydrophobicContact CE1-CB 4.04Å; F97-L120 HydrophobicContact CE1-CD1 4.32Å; F97-L120 HydrophobicContact CE2-CD1 4.12Å; F97-L120 HydrophobicContact CZ-CB 4.48Å; F97-L120 HydrophobicContact CZ-CD1 3.96Å
98A98.4Very high97.4Very high2 Ų219.4 Ų19.42%0.01711%0.108CC..EExtended strand (participates in β ladder)trans-136.6143.4177.300000111.8V87 V88 L107 A119 V121V87-A98 VanDerWaalsContact O-CA 3.26Å; V87-A98 WeakPolarHBondContact O-CA 3.44Å; V88-A98 HydrophobicContact CG2-CB 4.06Å; A98-L107 HydrophobicContact CB-CB 4.31Å; A98-L107 HydrophobicContact CB-CD2 4.02Å; A98-A119 PolarHBondContact N-O 3.11Å; A98-A119 PolarHBondContact O-N 3.11Å; A98-A119 VanDerWaalsContact O-N 3.16Å; A98-V121 HydrophobicContact CB-CG2 3.63Å
99W98.5Very high97.2Very high1 Ų122.7 Ų22.70%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-157.4178.6174.866.595.7000112.1L35 C53 L71 H86 V87 I89 F97 L107 T117 P118L35-W99 HydrophobicContact CD1-CH2 4.39Å; L35-W99 HydrophobicContact CD1-CZ2 3.67Å; L35-W99 HydrophobicContact CD2-CZ2 4.39Å; C53-W99 PolarHBondContact O-NE1 3.01Å; L71-W99 HydrophobicContact CD1-CH2 3.68Å; L71-W99 HydrophobicContact CD1-CZ2 4.37Å; L71-W99 HydrophobicContact CD1-CZ3 4.07Å; H86-W99 CarbonylContact C-O 3.17Å; H86-W99 VanDerWaalsContact CA-O 3.3Å; H86-W99 WeakPolarHBondContact CA-O 3.5Å; V87-W99 HydrophobicContact CB-CD2 4.12Å; V87-W99 HydrophobicContact CB-CH2 4.2Å; V87-W99 HydrophobicContact CB-CZ2 3.75Å; V87-W99 HydrophobicContact CG1-CH2 3.6Å; V87-W99 HydrophobicContact CG1-CZ2 3.46Å; V87-W99 VanDerWaalsContact CG1-CZ2 3.46Å; V87-W99 HydrophobicContact CG1-CZ3 4.21Å; V87-W99 HydrophobicContact CG2-CZ2 4.41Å; V87-W99 PolarHBondContact N-O 3.33Å; V87-W99 PolarHBondContact O-N 3.31Å; I89-W99 HydrophobicContact CD1-CH2 4.25Å; I89-W99 HydrophobicContact CD1-CZ3 4.06Å; I89-W99 HydrophobicContact CG1-CH2 4.46Å; I89-W99 HydrophobicContact CG1-CZ3 4.05Å; I89-W99 HydrophobicContact CG2-CH2 3.76Å; I89-W99 HydrophobicContact CG2-CZ3 4.05Å; F97-W99 HydrophobicContact CB-CZ3 4.26Å; W99-L107 VanDerWaalsContact C-CD2 3.49Å; W99-L107 VanDerWaalsContact O-CD2 3.27Å; W99-L107 WeakPolarHBondContact O-CD2 3.26Å; W99-T117 WeakPolarHBondContact CB-O 3.23Å; W99-P118 HydrophobicContact CD2-CB 4.13Å; W99-P118 HydrophobicContact CD2-CG 3.81Å; W99-P118 HydrophobicContact CE3-CB 3.57Å; W99-P118 HydrophobicContact CE3-CG 3.71Å; W99-P118 HydrophobicContact CG-CG 4.35Å; W99-P118 HydrophobicContact CH2-CG 4.33Å; W99-P118 HydrophobicContact CZ2-CG 4.41Å; W99-P118 HydrophobicContact CZ3-CB 3.91Å; W99-P118 HydrophobicContact CZ3-CG 3.99Å
100G98.1Very high97.1Very high0 Ų024.8 Ų24.80%015%0.147CC..EExtended strand (participates in β ladder)trans93.3-143.7-176.500000112.5S51 H114 G115S51-G100 CarbonylContact O-C 3.56Å; S51-G100 WeakPolarHBondContact O-CA 3.42Å; G100-H114 CarbonylContact O-C 3.51Å; G100-H114 WeakPolarHBondContact O-CA 3.44Å; G100-G115 WeakPolarHBondContact CA-O 3.48Å; G100-G115 PolarHBondContact N-O 2.91Å; G100-G115 PolarHBondContact O-N 3.32Å
101H97.8Very high97Very high35 Ų3527.4 Ų27.416%0.16216%0.164CC..  trans-65.8142.1-176.1-176.474.8000113.1G84 P85 H86 Q106 H114 H138G84-H101 WeakPolarHBondContact O-CB 3.22Å; G84-H101 VanDerWaalsContact O-CG 3.27Å; P85-H101 PolarHBondContact O-N 3.39Å; H86-H101 VanDerWaalsContact CB-O 3.3Å; H86-H101 WeakPolarHBondContact CB-O 3.27Å; H101-Q106 PolarHBondContact CD2-NE2 3.3Å; H101-Q106 WeakPolarHBondContact O-CG 3.44Å; H101-Q106 PolarHBondContact O-NE2 3.17Å; H101-H114 AromaticContact CE1-CE1 3.84Å; H101-H114 AromaticContact ND1-CE1 3.26Å; H101-H114 PolarHBondContact ND1-CE1 2.81Å; H101-H114 VanDerWaalsContact ND1-CE1 3.26Å; H101-H114 AromaticContact ND1-ND1 3.56Å; H101-H138 AromaticContact CD2-ND1 3.94Å
102N97.6Very high97Very high0 Ų031.2 Ų31.20%019%0.187CC..  trans-137.819.2-178-158.424.4000114.7Y104 S105 Q106 L107 N109 T111 T112 N113 H114N102-Y104 PolarHBondContact O-N 3.35Å; N102-S105 PolarHBondContact O-N 3.37Å; N102-S105 WeakPolarHBondContact OD1-CA 3.33Å; N102-Q106 VanDerWaalsContact C-NE2 3.3Å; N102-Q106 VanDerWaalsContact N-NE2 3.14Å; N102-Q106 PolarHBondContact OD1-N 3.28Å; N102-L107 HydrophobicContact CB-CB 4.47Å; N102-L107 HydrophobicContact CB-CD1 3.68Å; N102-L107 HydrophobicContact CB-CG 3.69Å; N102-L107 VanDerWaalsContact CG-CG 3.42Å; N102-L107 WeakPolarHBondContact OD1-CB 3.42Å; N102-L107 WeakPolarHBondContact OD1-CG 3.27Å; N102-L107 PolarHBondContact OD1-N 3.26Å; N102-N109 PolarHBondContact ND2-OD1 3.07Å; N102-T111 PolarHBondContact ND2-O 2.85Å; N102-T111 PolarHBondContact ND2-OG1 2.95Å; N102-T112 CarbonylContact C-O 3.58Å; N102-T112 CarbonylContact O-C 3.54Å; N102-T112 WeakPolarHBondContact O-CA 3.39Å; N102-N113 VanDerWaalsContact CB-C 3.48Å; N102-N113 WeakPolarHBondContact CB-O 3.41Å; N102-N113 PolarHBondContact ND2-N 3.5Å; N102-N113 PolarHBondContact ND2-O 3.08Å; N102-H114 PolarHBondContact N-ND1 3.45Å
103G97.4Very high97.1Very high34 Ų3435.4 Ų35.435%0.35121%0.205SC..THydrogen-bonded Turntrans-56.5-21.6-173.400000115.4Q106G103-Q106 VanDerWaalsContact N-NE2 3.19Å
104Y97.1Very high97.2Very high90 Ų9034.2 Ų34.235%0.35320%0.196SC..THydrogen-bonded Turntrans-121.922.1178.6-50.6-78.6000113N102 Q106 H138 G153 Y154N102-Y104 PolarHBondContact O-N 3.35Å; Y104-Q106 VanDerWaalsContact C-N 3.31Å; Y104-Q106 VanDerWaalsContact C-OE1 3.29Å; Y104-Q106 VanDerWaalsContact CA-OE1 3.3Å; Y104-Q106 VanDerWaalsContact CB-OE1 3.29Å; Y104-Q106 PolarHBondContact O-N 3.3Å; Y104-H138 HydrophobicContact CD2-CB 3.65Å; Y104-H138 AromaticContact CD2-CD2 3.88Å; Y104-H138 AromaticContact CD2-CG 3.58Å; Y104-H138 HydrophobicContact CE2-CB 4.38Å; Y104-H138 AromaticContact CE2-CD2 3.71Å; Y104-H138 AromaticContact CE2-CG 3.86Å; Y104-H138 HydrophobicContact CG-CB 4.31Å; Y104-G153 CarbonylContact O-C 3.23Å; Y104-G153 VanDerWaalsContact O-CA 3.28Å; Y104-G153 WeakPolarHBondContact O-CA 3.39Å; Y104-Y154 AromaticContact CD1-CD2 3.48Å; Y104-Y154 HydrophobicContact CD1-CD2 3.48Å; Y104-Y154 VanDerWaalsContact CD1-CD2 3.48Å; Y104-Y154 AromaticContact CD1-CE2 3.91Å; Y104-Y154 HydrophobicContact CD1-CE2 3.91Å; Y104-Y154 HydrophobicContact CD1-CG 4.37Å; Y104-Y154 HydrophobicContact CE1-CD2 4.05Å; Y104-Y154 HydrophobicContact CE1-CE2 4.03Å; Y104-Y154 AromaticContact CG-CD2 3.73Å; Y104-Y154 HydrophobicContact CG-CD2 3.73Å; Y104-Y154 HydrophobicContact CG-CG 4.2Å; Y104-Y154 PolarHBondContact O-N 3.26Å
105S97.1Very high97.2Very high9 Ų934.6 Ų34.66%0.06320%0.2CC..SBendtrans65.724.3-179.4-53.30000115.9N102 L107 G108 T111 T112N102-S105 PolarHBondContact O-N 3.37Å; N102-S105 WeakPolarHBondContact OD1-CA 3.33Å; S105-L107 PolarHBondContact O-N 3.18Å; S105-L107 VanDerWaalsContact O-N 3.11Å; S105-G108 PolarHBondContact O-N 3.34Å; S105-T111 WeakPolarHBondContact CB-O 3.38Å; S105-T111 PolarHBondContact OG-O 3.07Å; S105-T112 WeakPolarHBondContact OG-CG2 3.44Å
106Q97.1Very high97.2Very high0 Ų034.7 Ų34.70%020%0.202CC..THydrogen-bonded Turntrans-61.2-12.9175.654.7-90.811.300115.1H86 H101 N102 G103 Y104 G108 H138 T140 W152H86-Q106 HydrophobicContact CB-CG 3.84Å; H101-Q106 PolarHBondContact CD2-NE2 3.3Å; H101-Q106 WeakPolarHBondContact O-CG 3.44Å; H101-Q106 PolarHBondContact O-NE2 3.17Å; N102-Q106 VanDerWaalsContact C-NE2 3.3Å; N102-Q106 VanDerWaalsContact N-NE2 3.14Å; N102-Q106 PolarHBondContact OD1-N 3.28Å; G103-Q106 VanDerWaalsContact N-NE2 3.19Å; Y104-Q106 VanDerWaalsContact C-N 3.31Å; Y104-Q106 VanDerWaalsContact C-OE1 3.29Å; Y104-Q106 VanDerWaalsContact CA-OE1 3.3Å; Y104-Q106 VanDerWaalsContact CB-OE1 3.29Å; Y104-Q106 PolarHBondContact O-N 3.3Å; Q106-G108 VanDerWaalsContact C-N 3.32Å; Q106-H138 WeakPolarHBondContact CB-O 3.44Å; Q106-T140 PolarHBondContact O-OG1 3.09Å; Q106-W152 PolarHBondContact O-NE1 2.94Å
107L97.9Very high97.1Very high3 Ų337.6 Ų37.62%0.01622%0.219CC..THydrogen-bonded Turntrans-82-9.4173-56.1-171.8000113.4H86 A98 W99 N102 S105 N109 V121H86-L107 HydrophobicContact CB-CD2 3.96Å; A98-L107 HydrophobicContact CB-CB 4.31Å; A98-L107 HydrophobicContact CB-CD2 4.02Å; W99-L107 VanDerWaalsContact C-CD2 3.49Å; W99-L107 VanDerWaalsContact O-CD2 3.27Å; W99-L107 WeakPolarHBondContact O-CD2 3.26Å; N102-L107 HydrophobicContact CB-CB 4.47Å; N102-L107 HydrophobicContact CB-CD1 3.68Å; N102-L107 HydrophobicContact CB-CG 3.69Å; N102-L107 VanDerWaalsContact CG-CG 3.42Å; N102-L107 WeakPolarHBondContact OD1-CB 3.42Å; N102-L107 WeakPolarHBondContact OD1-CG 3.27Å; N102-L107 PolarHBondContact OD1-N 3.26Å; S105-L107 PolarHBondContact O-N 3.18Å; S105-L107 VanDerWaalsContact O-N 3.11Å; L107-N109 PolarHBondContact O-N 2.96Å; L107-N109 VanDerWaalsContact O-N 3.15Å; L107-V121 WeakPolarHBondContact O-CG2 3.39Å
108G97.1Very high97.1Very high1 Ų137.3 Ų37.31%0.0122%0.219CC..  trans68.214.4174.700000114.9S105 Q106 W152 P169 P171S105-G108 PolarHBondContact O-N 3.34Å; Q106-G108 VanDerWaalsContact C-N 3.32Å; G108-W152 VanDerWaalsContact N-CD1 3.33Å; G108-P169 CarbonylContact C-O 3.13Å; G108-P169 WeakPolarHBondContact CA-O 3.08Å; G108-P171 VanDerWaalsContact O-CD 3.31Å; G108-P171 WeakPolarHBondContact O-CD 3.43Å
109N95.9Very high97.1Very high68 Ų6839.3 Ų39.336%0.36424%0.236SC..SBendtrans-96.111.2-17467.18.5000114.1N102 L107 T111 P169N102-N109 PolarHBondContact ND2-OD1 3.07Å; L107-N109 PolarHBondContact O-N 2.96Å; L107-N109 VanDerWaalsContact O-N 3.15Å; N109-T111 VanDerWaalsContact C-N 3.27Å; N109-T111 PolarHBondContact O-N 3.42Å; N109-T111 PolarHBondContact OD1-N 3.25Å; N109-T111 PolarHBondContact OD1-OG1 3.32Å; N109-P169 PolarHBondContact N-O 2.94Å
110G96.1Very high97Very high44 Ų4443 Ų4345%0.45426%0.255SS..SBendtrans79.92.9-178.900000114.9P169G110-P169 WeakPolarHBondContact CA-O 3.32Å; G110-P169 PolarHBondContact N-O 2.98Å
111T95.9Very high97Very high56 Ų5643.3 Ų43.334%0.34426%0.257SS..SBendtrans-124.8178.8-17778.50000111.9N102 S105 N109 N113N102-T111 PolarHBondContact ND2-O 2.85Å; N102-T111 PolarHBondContact ND2-OG1 2.95Å; S105-T111 WeakPolarHBondContact CB-O 3.38Å; S105-T111 PolarHBondContact OG-O 3.07Å; N109-T111 VanDerWaalsContact C-N 3.27Å; N109-T111 PolarHBondContact O-N 3.42Å; N109-T111 PolarHBondContact OD1-N 3.25Å; N109-T111 PolarHBondContact OD1-OG1 3.32Å; T111-N113 PolarHBondContact OG1-N 3.22Å
112T96.9Very high96.7Very high81 Ų8144.1 Ų44.150%0.49727%0.267SS..  trans-11811.3170.254.70000112.7N102 S105N102-T112 CarbonylContact C-O 3.58Å; N102-T112 CarbonylContact O-C 3.54Å; N102-T112 WeakPolarHBondContact O-CA 3.39Å; S105-T112 WeakPolarHBondContact OG-CG2 3.44Å
113N96.3Very high96.5Very high115 Ų11547 Ų4762%0.61528%0.284SS*.SBendtrans-84.1136.8-178.2-66.7-26.7000110.6N102 T111N102-N113 VanDerWaalsContact CB-C 3.48Å; N102-N113 WeakPolarHBondContact CB-O 3.41Å; N102-N113 PolarHBondContact ND2-N 3.5Å; N102-N113 PolarHBondContact ND2-O 3.08Å; T111-N113 PolarHBondContact OG1-N 3.22Å
114H95.8Very high96.2Very high98 Ų9849.6 Ų49.645%0.45429%0.29SS..  trans-55.3139.4174.5-52.9-64.9000111.1G100 H101 N102G100-H114 CarbonylContact O-C 3.51Å; G100-H114 WeakPolarHBondContact O-CA 3.44Å; H101-H114 AromaticContact CE1-CE1 3.84Å; H101-H114 AromaticContact ND1-CE1 3.26Å; H101-H114 PolarHBondContact ND1-CE1 2.81Å; H101-H114 VanDerWaalsContact ND1-CE1 3.26Å; H101-H114 AromaticContact ND1-ND1 3.56Å; N102-H114 PolarHBondContact N-ND1 3.45Å
115G96.2Very high96.1Very high13 Ų1345.6 Ų45.613%0.13428%0.275CS..EExtended strand (participates in β ladder)trans-96.6114.1174.900000110G100G100-G115 WeakPolarHBondContact CA-O 3.48Å; G100-G115 PolarHBondContact N-O 2.91Å; G100-G115 PolarHBondContact O-N 3.32Å
116L97.3Very high95.8Very high64 Ų6451.6 Ų51.634%0.33531%0.305SS..EExtended strand (participates in β ladder)trans-83.4-17.7179.5-56.4-177.5000113.1G55 L56 G57 L59G55-L116 CarbonylContact C-O 3.47Å; G55-L116 VanDerWaalsContact CA-O 3.27Å; G55-L116 WeakPolarHBondContact CA-O 3.31Å; L56-L116 PolarHBondContact N-O 3.28Å; G57-L116 WeakPolarHBondContact CA-O 3.48Å; G57-L116 PolarHBondContact N-O 3.19Å; L59-L116 HydrophobicContact CD2-CD2 3.52Å; L59-L116 HydrophobicContact CG-CD2 4.05Å
117T97.4Very high95.4Very high63 Ų6356.5 Ų56.539%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-131152.4177.452.20000110.5G57 W99 A119G57-T117 VanDerWaalsContact CA-CG2 3.48Å; W99-T117 WeakPolarHBondContact CB-O 3.23Å; T117-A119 PolarHBondContact O-N 2.97Å
118P98.1Very high95.3Very high6 Ų658.6 Ų58.64%0.03935%0.348CS..EExtended strand (participates in β ladder)trans-53.7122.4170.7-25.133.4000111.5G55 I68 I70 L71 F97 W99G55-P118 VanDerWaalsContact O-CD 3.31Å; G55-P118 WeakPolarHBondContact O-CD 3.43Å; I68-P118 HydrophobicContact CG2-CG 3.64Å; I70-P118 HydrophobicContact CG2-CB 4.39Å; L71-P118 HydrophobicContact CD1-CB 4.25Å; L71-P118 HydrophobicContact CD1-CG 3.82Å; L71-P118 HydrophobicContact CD2-CB 3.99Å; L71-P118 HydrophobicContact CD2-CG 4.37Å; L71-P118 HydrophobicContact CG-CB 4.13Å; L71-P118 HydrophobicContact CG-CG 3.96Å; F97-P118 HydrophobicContact CB-CB 4.27Å; F97-P118 HydrophobicContact CD1-CB 4.32Å; W99-P118 HydrophobicContact CD2-CB 4.13Å; W99-P118 HydrophobicContact CD2-CG 3.81Å; W99-P118 HydrophobicContact CE3-CB 3.57Å; W99-P118 HydrophobicContact CE3-CG 3.71Å; W99-P118 HydrophobicContact CG-CG 4.35Å; W99-P118 HydrophobicContact CH2-CG 4.33Å; W99-P118 HydrophobicContact CZ2-CG 4.41Å; W99-P118 HydrophobicContact CZ3-CB 3.91Å; W99-P118 HydrophobicContact CZ3-CG 3.99Å
119A97.6Very high95.3Very high45 Ų4565.2 Ų65.237%0.37237%0.373SS..EExtended strand (participates in β ladder)trans-120.6137.717700000110.4F97 A98 T117 V121F97-A119 VanDerWaalsContact CA-O 3.3Å; F97-A119 WeakPolarHBondContact CA-O 3.24Å; A98-A119 PolarHBondContact N-O 3.11Å; A98-A119 PolarHBondContact O-N 3.11Å; A98-A119 VanDerWaalsContact O-N 3.16Å; T117-A119 PolarHBondContact O-N 2.97Å; A119-V121 PolarHBondContact O-N 3.43Å
120L97.2Very high95.4Very high78 Ų7862 Ų6241%0.40836%0.356SS..EExtended strand (participates in β ladder)trans-65.4126.7177.2-177.771.3000110.5E95 F97 S122E95-L120 HydrophobicContact CB-CD1 3.85Å; E95-L120 HydrophobicContact CG-CD1 4.31Å; F97-L120 HydrophobicContact CD1-CB 4.35Å; F97-L120 HydrophobicContact CE1-CB 4.04Å; F97-L120 HydrophobicContact CE1-CD1 4.32Å; F97-L120 HydrophobicContact CE2-CD1 4.12Å; F97-L120 HydrophobicContact CZ-CB 4.48Å; F97-L120 HydrophobicContact CZ-CD1 3.96Å; L120-S122 PolarHBondContact O-N 3.04Å
121V97.3Very high95.4Very high7 Ų762.8 Ų62.84%0.04235%0.351CS..  trans-87.188.7174.4-171.70000108.7V96 A98 L107 A119 L125 P171V96-V121 HydrophobicContact CB-CB 4.32Å; V96-V121 HydrophobicContact CG1-CB 4.18Å; V96-V121 HydrophobicContact CG1-CG2 4.06Å; V96-V121 PolarHBondContact O-N 2.78Å; A98-V121 HydrophobicContact CB-CG2 3.63Å; L107-V121 WeakPolarHBondContact O-CG2 3.39Å; A119-V121 PolarHBondContact O-N 3.43Å; V121-L125 HydrophobicContact CG1-CD1 4.12Å; V121-P171 HydrophobicContact CG1-CG 3.48Å; V121-P171 VanDerWaalsContact CG1-CG 3.48Å
122S91.7Very high95.6Very high52 Ų5262.3 Ų62.336%0.36435%0.345SS..  trans-86.9-35.2-171.754.90000114.2L120 N124 L125 I126L120-S122 PolarHBondContact O-N 3.04Å; S122-N124 PolarHBondContact O-N 3.22Å; S122-N124 VanDerWaalsContact O-N 3.16Å; S122-L125 PolarHBondContact O-N 2.93Å; S122-I126 WeakPolarHBondContact O-CB 3.49Å; S122-I126 PolarHBondContact O-N 3.3Å
123T92.6Very high95.6Very high60 Ų6058.7 Ų58.737%0.36832%0.323SS..THydrogen-bonded Turntrans-60120.1-173.9-54.90000111.4L125 T170 P171T123-L125 PolarHBondContact O-N 3.17Å; T123-T170 HydrophobicContact CG2-CG2 3.95Å; T123-P171 WeakPolarHBondContact O-CG 3.24Å
124N92.8Very high95.7Very high88 Ų8853.8 Ų53.847%0.47130%0.298SS..THydrogen-bonded Turntrans63.3-5.5-178.7-57.5-34.9000116.8S122 Y150 P171S122-N124 PolarHBondContact O-N 3.22Å; S122-N124 VanDerWaalsContact O-N 3.16Å; N124-Y150 HydrophobicContact CB-CE1 4.08Å; N124-P171 WeakPolarHBondContact CB-O 3.35Å; N124-P171 PolarHBondContact ND2-O 3.26Å
125L94.3Very high95.9Very high7 Ų749.2 Ų49.24%0.03728%0.278CS..THydrogen-bonded Turntrans-110.6-15.5179.5-67.4179.6000113.8V96 V121 S122 T123 S127 K128 V130 Y150 W152 P171V96-L125 HydrophobicContact CB-CD1 4.42Å; V96-L125 HydrophobicContact CG2-CD1 4.27Å; V121-L125 HydrophobicContact CG1-CD1 4.12Å; S122-L125 PolarHBondContact O-N 2.93Å; T123-L125 PolarHBondContact O-N 3.17Å; L125-S127 PolarHBondContact O-N 2.91Å; L125-K128 WeakPolarHBondContact O-CB 3.41Å; L125-K128 PolarHBondContact O-N 3.24Å; L125-K128 VanDerWaalsContact O-O 3.13Å; L125-V130 HydrophobicContact CD2-CG2 4.19Å; L125-Y150 HydrophobicContact CD2-CD1 3.81Å; L125-Y150 HydrophobicContact CD2-CD2 3.94Å; L125-Y150 HydrophobicContact CD2-CE1 4.24Å; L125-Y150 HydrophobicContact CD2-CE2 4.39Å; L125-Y150 HydrophobicContact CD2-CG 3.64Å; L125-W152 HydrophobicContact CD1-CH2 3.96Å; L125-W152 HydrophobicContact CD1-CZ3 4.02Å; L125-P171 HydrophobicContact CD1-CB 3.84Å; L125-P171 HydrophobicContact CD1-CG 3.62Å; L125-P171 HydrophobicContact CD2-CB 4.37Å; L125-P171 HydrophobicContact CG-CB 3.8Å; L125-P171 HydrophobicContact CG-CG 3.95Å
126I89.9Confident95.9Very high134 Ų13448.6 Ų48.669%0.68727%0.271SS*.THydrogen-bonded Turntrans-59.5-25.3-173.7-162.8158.3000115.4S122S122-I126 WeakPolarHBondContact O-CB 3.49Å; S122-I126 PolarHBondContact O-N 3.3Å
127S89.9Confident95.8Very high103 Ų10345.6 Ų45.672%0.7226%0.255SS*.THydrogen-bonded Turntrans-102.69.8177.855.50000112.8L125L125-S127 PolarHBondContact O-N 2.91Å
128K95Very high95.8Very high47 Ų4744.1 Ų44.120%0.20424%0.244CC..SBendtrans-115.6138.4-176.8-63.2-65.1175.4172.70109.3L125 T144 D146 E148 Y150L125-K128 WeakPolarHBondContact O-CB 3.41Å; L125-K128 PolarHBondContact O-N 3.24Å; L125-K128 VanDerWaalsContact O-O 3.13Å; K128-T144 HydrophobicContact CB-CG2 3.86Å; K128-T144 HydrophobicContact CD-CG2 4.38Å; K128-T144 HydrophobicContact CG-CG2 4.3Å; K128-D146 IonicContact NZ-OD2 3.31Å; K128-E148 WeakPolarHBondContact CE-OE2 3.35Å; K128-E148 IonicContact NZ-OE1 2.64Å; K128-E148 IonicContact NZ-OE2 2.77Å; K128-E148 PolarHBondContact NZ-OE2 3.16Å; K128-Y150 WeakPolarHBondContact CE-OH 3.47Å; K128-Y150 HydrophobicContact CG-CE2 4.36Å
129R96.8Very high95.8Very high141 Ų14143.9 Ų43.953%0.53224%0.242SC..  trans-91.9102.7173.3-173.8-178.7-172.6-156.4-0.4108.7A92 T144 S145A92-R129 PolarHBondContact O-NH2 2.89Å; A92-R129 VanDerWaalsContact O-NH2 3.14Å; R129-T144 CarbonylContact O-C 3.57Å; R129-T144 VanDerWaalsContact O-CA 3.23Å; R129-T144 WeakPolarHBondContact O-CA 3.37Å; R129-S145 PolarHBondContact O-N 3.16Å
130V98.1Very high95.9Very high1 Ų141.7 Ų41.71%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-81131.4178.3178.20000110.3A90 G94 V96 L125 V133 A142 L143 T144A90-V130 HydrophobicContact CB-CB 4.42Å; A90-V130 HydrophobicContact CB-CG1 3.91Å; G94-V130 WeakPolarHBondContact CA-O 3.48Å; G94-V130 PolarHBondContact O-N 2.92Å; G94-V130 VanDerWaalsContact O-N 3.14Å; V96-V130 HydrophobicContact CG2-CB 3.55Å; V96-V130 HydrophobicContact CG2-CG1 3.67Å; V96-V130 HydrophobicContact CG2-CG2 3.52Å; L125-V130 HydrophobicContact CD2-CG2 4.19Å; V130-V133 HydrophobicContact CG1-CG1 3.9Å; V130-A142 HydrophobicContact CG1-CB 3.94Å; V130-A142 HydrophobicContact CG2-CB 4.47Å; V130-L143 WeakPolarHBondContact CA-O 3.45Å; V130-L143 WeakPolarHBondContact CG1-O 3.47Å; V130-T144 HydrophobicContact CG2-CG2 4.43Å
131T97.6Very high95.9Very high59 Ų5938 Ų3836%0.36221%0.205SC..EExtended strand (participates in β ladder)trans-110.5-28.8-177.552.40000112.9L143T131-L143 PolarHBondContact N-O 3.28Å; T131-L143 PolarHBondContact OG1-O 2.8Å
132E98.3Very high96Very high47 Ų4737.7 Ų37.722%0.2220%0.203CC..EExtended strand (participates in β ladder)trans-142.1144.3-178.4-173-177.5-178.600109.9A142 L143 N185 I186E132-A142 WeakPolarHBondContact O-CA 3.45Å; E132-L143 HydrophobicContact CB-CB 4.11Å; E132-L143 HydrophobicContact CB-CD2 4.42Å; E132-L143 PolarHBondContact N-O 2.99Å; E132-L143 PolarHBondContact O-N 3.44Å; E132-N185 PolarHBondContact OE1-ND2 3.04Å; E132-I186 HydrophobicContact CB-CD1 4.27Å; E132-I186 HydrophobicContact CB-CG1 4.27Å; E132-I186 VanDerWaalsContact CD-CG1 3.42Å; E132-I186 HydrophobicContact CG-CD1 4.02Å; E132-I186 HydrophobicContact CG-CG1 3.77Å
133V98.5Very high96.3Very high5 Ų535.4 Ų35.43%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-130.7139.7173.7-69.50000109.4S78 S80 V88 A90 V130 I141 A142S78-V133 WeakPolarHBondContact OG-CG2 3.23Å; S78-V133 PolarHBondContact OG-N 3.05Å; S80-V133 VanDerWaalsContact CB-O 3.3Å; S80-V133 WeakPolarHBondContact CB-O 3.47Å; V88-V133 HydrophobicContact CG1-CB 4.19Å; V88-V133 HydrophobicContact CG1-CG1 4.01Å; V88-V133 HydrophobicContact CG1-CG2 4.36Å; A90-V133 HydrophobicContact CB-CG1 4.14Å; V130-V133 HydrophobicContact CG1-CG1 3.9Å; V133-I141 WeakPolarHBondContact CA-O 3.27Å; V133-A142 HydrophobicContact CG1-CB 4.13Å
134A98.3Very high96.6Very high11 Ų1132.7 Ų32.79%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-135142.917400000110.2I141 I186 C188A134-I141 HydrophobicContact CB-CD1 4.07Å; A134-I141 HydrophobicContact CB-CG1 3.78Å; A134-I141 PolarHBondContact N-O 3.29Å; A134-I141 WeakPolarHBondContact O-CG1 3.22Å; A134-I141 PolarHBondContact O-N 3.5Å; A134-I186 HydrophobicContact CB-CD1 4.14Å; A134-I186 HydrophobicContact CB-CG1 4.43Å; A134-C188 HydrophobicContact CB-CB 4.33Å
135C98.1Very high96.8Very high3 Ų331.4 Ų31.42%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-125.8136.1-177.9-60.90000109.4S80 Y81 H139 C188 H293S80-C135 VanDerWaalsContact OG-CB 3.3Å; S80-C135 WeakPolarHBondContact OG-CB 3.4Å; S80-C135 PolarHBondContact OG-N 3.22Å; S80-C135 PolarHBondContact OG-SG 3.25Å; Y81-C135 VanDerWaalsContact C-CB 3.45Å; Y81-C135 VanDerWaalsContact O-CB 3.23Å; Y81-C135 WeakPolarHBondContact O-CB 3.37Å; C135-H139 WeakPolarHBondContact CA-O 2.99Å; C135-C188 VanDerWaalsContact O-CB 3.3Å; C135-C188 WeakPolarHBondContact O-CB 3.4Å; C135-H293 PolarHBondContact O-ND1 2.83Å
136G97.1Very high96.8Very high0 Ų035.7 Ų35.70%019%0.191CC..  trans-91.8-152.6160.600000110.2G82 H138 H139 G189G82-G136 WeakPolarHBondContact CA-O 3.32Å; G136-H138 PolarHBondContact O-N 2.88Å; G136-H139 PolarHBondContact N-O 3.15Å; G136-G189 WeakPolarHBondContact CA-O 3.38Å
137S95.8Very high97.1Very high0 Ų029.4 Ų29.40%016%0.16CC..SBendtrans-55.9-56.5178.552.50000113.7T83 H86 Q190T83-S137 PolarHBondContact N-O 3.35Å; H86-S137 PolarHBondContact CE1-O 3Å; S137-Q190 WeakPolarHBondContact CB-O 3.13Å; S137-Q190 PolarHBondContact N-O 3.06Å; S137-Q190 PolarHBondContact OG-NE2 3.34Å; S137-Q190 VanDerWaalsContact OG-NE2 3.14Å; S137-Q190 PolarHBondContact OG-O 2.87Å
138H97.4Very high97.5Very high33 Ų3325.9 Ų25.915%0.15313%0.132CC..SBendtrans-139.825.1-174-56-57.6000112.2T83 H101 Y104 Q106 G136 Y154T83-H138 PolarHBondContact O-CE1 3.07Å; T83-H138 VanDerWaalsContact O-CE1 3.25Å; T83-H138 PolarHBondContact O-ND1 3.48Å; H101-H138 AromaticContact CD2-ND1 3.94Å; Y104-H138 HydrophobicContact CD2-CB 3.65Å; Y104-H138 AromaticContact CD2-CD2 3.88Å; Y104-H138 AromaticContact CD2-CG 3.58Å; Y104-H138 HydrophobicContact CE2-CB 4.38Å; Y104-H138 AromaticContact CE2-CD2 3.71Å; Y104-H138 AromaticContact CE2-CG 3.86Å; Y104-H138 HydrophobicContact CG-CB 4.31Å; Q106-H138 WeakPolarHBondContact CB-O 3.44Å; G136-H138 PolarHBondContact O-N 2.88Å; H138-Y154 HydrophobicContact CB-CG 4.3Å; H138-Y154 WeakPolarHBondContact O-CB 3.36Å; H138-Y154 PolarHBondContact O-N 2.99Å
139H98.3Very high97.6Very high0 Ų023.9 Ų23.90%012%0.124CC..EExtended strand (participates in β ladder)trans-135.9155175.275.1-73.4000109.5C135 G136 W152 Y154 Q159 C188 S193C135-H139 WeakPolarHBondContact CA-O 2.99Å; G136-H139 PolarHBondContact N-O 3.15Å; H139-W152 WeakPolarHBondContact CA-O 3.45Å; H139-Y154 WeakPolarHBondContact CB-O 3.45Å; H139-Q159 HydrophobicContact CB-CG 4.03Å; H139-C188 PolarHBondContact NE2-SG 3.03Å; H139-C188 VanDerWaalsContact NE2-SG 3.35Å; H139-S193 PolarHBondContact NE2-OG 3.18Å
140T98.6Very high97.7Very high0 Ų018 Ų180%010%0.102CC..EExtended strand (participates in β ladder)trans-129.9140.3-178.1-52.20000109.1H86 V88 Q106 A151 W152H86-T140 PolarHBondContact NE2-OG1 2.94Å; V88-T140 HydrophobicContact CB-CG2 4.28Å; V88-T140 HydrophobicContact CG1-CG2 4.09Å; V88-T140 HydrophobicContact CG2-CG2 3.9Å; Q106-T140 PolarHBondContact O-OG1 3.09Å; T140-A151 CarbonylContact O-C 3.21Å; T140-A151 VanDerWaalsContact O-CA 3.28Å; T140-A151 WeakPolarHBondContact O-CA 3.43Å; T140-W152 HydrophobicContact CG2-CD2 4.49Å; T140-W152 HydrophobicContact CG2-CH2 3.69Å; T140-W152 HydrophobicContact CG2-CZ2 3.31Å; T140-W152 HydrophobicContact CG2-CZ3 4.39Å; T140-W152 PolarHBondContact N-O 3.46Å; T140-W152 PolarHBondContact O-N 2.98Å
141I98.4Very high97.7Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans-121.9147.5167.162.5175.6000109.3V133 A134 V149 Y150 A151 I186 C188V133-I141 WeakPolarHBondContact CA-O 3.27Å; A134-I141 HydrophobicContact CB-CD1 4.07Å; A134-I141 HydrophobicContact CB-CG1 3.78Å; A134-I141 PolarHBondContact N-O 3.29Å; A134-I141 WeakPolarHBondContact O-CG1 3.22Å; A134-I141 PolarHBondContact O-N 3.5Å; I141-V149 HydrophobicContact CB-CG1 4.46Å; I141-Y150 CarbonylContact C-O 3.55Å; I141-Y150 WeakPolarHBondContact CA-O 3.21Å; I141-A151 HydrophobicContact CG2-CB 3.66Å; I141-I186 HydrophobicContact CD1-CB 3.74Å; I141-I186 HydrophobicContact CD1-CD1 4.18Å; I141-I186 HydrophobicContact CD1-CG1 4.46Å; I141-I186 HydrophobicContact CD1-CG2 4.26Å; I141-I186 HydrophobicContact CG1-CB 4.48Å; I141-I186 HydrophobicContact CG1-CD1 3.96Å; I141-C188 VanDerWaalsContact CD1-SG 3.54Å; I141-C188 VanDerWaalsContact CG1-SG 3.55Å
142A98.5Very high97.8Very high0 Ų015.2 Ų15.20%08%0.084CC..EExtended strand (participates in β ladder)trans-132.8138.4177.900000109.7V130 E132 V133 V149 Y150 W152V130-A142 HydrophobicContact CG1-CB 3.94Å; V130-A142 HydrophobicContact CG2-CB 4.47Å; E132-A142 WeakPolarHBondContact O-CA 3.45Å; V133-A142 HydrophobicContact CG1-CB 4.13Å; A142-V149 WeakPolarHBondContact O-CA 3.35Å; A142-Y150 PolarHBondContact N-O 3.17Å; A142-Y150 PolarHBondContact O-N 3.46Å; A142-W152 HydrophobicContact CB-CH2 3.84Å; A142-W152 HydrophobicContact CB-CZ3 3.81Å
143L98.4Very high97.8Very high5 Ų513 Ų133%0.0267%0.074CC..EExtended strand (participates in β ladder)trans-107.7128.8176.617760.5000109.5V130 T131 E132 V149 V183 I186V130-L143 WeakPolarHBondContact CA-O 3.45Å; V130-L143 WeakPolarHBondContact CG1-O 3.47Å; T131-L143 PolarHBondContact N-O 3.28Å; T131-L143 PolarHBondContact OG1-O 2.8Å; E132-L143 HydrophobicContact CB-CB 4.11Å; E132-L143 HydrophobicContact CB-CD2 4.42Å; E132-L143 PolarHBondContact N-O 2.99Å; E132-L143 PolarHBondContact O-N 3.44Å; L143-V149 HydrophobicContact CD1-CG2 4.05Å; L143-V183 HydrophobicContact CD1-CB 3.7Å; L143-V183 HydrophobicContact CD1-CG1 3.71Å; L143-V183 HydrophobicContact CD2-CG1 4.33Å; L143-I186 HydrophobicContact CB-CD1 3.74Å; L143-I186 HydrophobicContact CB-CG1 4.01Å; L143-I186 HydrophobicContact CB-CG2 4.2Å; L143-I186 HydrophobicContact CD2-CG1 4.49Å; L143-I186 HydrophobicContact CD2-CG2 4.48Å
144T98Very high97.7Very high2 Ų215 Ų151%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-90.3161.2175.573.40000111.6K128 R129 V130 D146 G147 E148 Y150K128-T144 HydrophobicContact CB-CG2 3.86Å; K128-T144 HydrophobicContact CD-CG2 4.38Å; K128-T144 HydrophobicContact CG-CG2 4.3Å; R129-T144 CarbonylContact O-C 3.57Å; R129-T144 VanDerWaalsContact O-CA 3.23Å; R129-T144 WeakPolarHBondContact O-CA 3.37Å; V130-T144 HydrophobicContact CG2-CG2 4.43Å; T144-D146 PolarHBondContact O-N 3.32Å; T144-D146 VanDerWaalsContact O-N 3.14Å; T144-D146 PolarHBondContact OG1-N 2.93Å; T144-G147 PolarHBondContact O-N 3.36Å; T144-E148 HydrophobicContact CG2-CB 4.35Å; T144-E148 PolarHBondContact N-O 3.48Å; T144-E148 WeakPolarHBondContact OG1-CB 3.32Å; T144-E148 PolarHBondContact OG1-N 2.89Å; T144-E148 VanDerWaalsContact OG1-N 3.09Å; T144-E148 PolarHBondContact OG1-O 3.22Å; T144-Y150 HydrophobicContact CG2-CD2 3.97Å; T144-Y150 HydrophobicContact CG2-CE2 3.9Å
145S96.8Very high97.7Very high61 Ų6114.4 Ų14.443%0.4278%0.077SC..THydrogen-bonded Turntrans-61.1-19.8173.162.30000113.8R129R129-S145 PolarHBondContact O-N 3.16Å
146D95.6Very high97.7Very high97 Ų9718.4 Ų18.452%0.51910%0.098SC..THydrogen-bonded Turntrans-83.71175.4-57-29.8000112K128 T144 E148K128-D146 IonicContact NZ-OD2 3.31Å; T144-D146 PolarHBondContact O-N 3.32Å; T144-D146 VanDerWaalsContact O-N 3.14Å; T144-D146 PolarHBondContact OG1-N 2.93Å; D146-E148 HydrophobicContact CB-CG 4.34Å
147G96.5Very high97.7Very high3 Ų319 Ų193%0.03110%0.102CC..SBendtrans76.817.9-176.900000114.3T144 V183T144-G147 PolarHBondContact O-N 3.36Å; G147-V183 WeakPolarHBondContact CA-O 3.29Å; G147-V183 WeakPolarHBondContact O-CB 3.5Å; G147-V183 PolarHBondContact O-N 3.5Å
148E97.3Very high97.8Very high29 Ų2919 Ų1914%0.13610%0.102CC..  trans-89.6138.8177.3-58179.2133.400111.2K128 T144 D146 Y150 R173K128-E148 WeakPolarHBondContact CE-OE2 3.35Å; K128-E148 IonicContact NZ-OE1 2.64Å; K128-E148 IonicContact NZ-OE2 2.77Å; K128-E148 PolarHBondContact NZ-OE2 3.16Å; T144-E148 HydrophobicContact CG2-CB 4.35Å; T144-E148 PolarHBondContact N-O 3.48Å; T144-E148 WeakPolarHBondContact OG1-CB 3.32Å; T144-E148 PolarHBondContact OG1-N 2.89Å; T144-E148 VanDerWaalsContact OG1-N 3.09Å; T144-E148 PolarHBondContact OG1-O 3.22Å; D146-E148 HydrophobicContact CB-CG 4.34Å; E148-Y150 HydrophobicContact CB-CE2 4.03Å; E148-R173 IonicContact OE1-CZ 2.78Å; E148-R173 IonicContact OE1-NE 3.78Å; E148-R173 PolarHBondContact OE1-NE 3.06Å; E148-R173 IonicContact OE1-NH1 3.04Å; E148-R173 PolarHBondContact OE1-NH1 3.11Å; E148-R173 IonicContact OE1-NH2 2.73Å; E148-R173 PolarHBondContact OE1-NH2 3.09Å
149V98.1Very high97.8Very high5 Ų517.5 Ų17.53%0.0310%0.095CC..EExtended strand (participates in β ladder)trans-103.8130.5176.7178.80000110.7I141 A142 L143 R173 V174 V183 I186I141-V149 HydrophobicContact CB-CG1 4.46Å; A142-V149 WeakPolarHBondContact O-CA 3.35Å; L143-V149 HydrophobicContact CD1-CG2 4.05Å; V149-R173 WeakPolarHBondContact O-CA 3.46Å; V149-V174 HydrophobicContact CB-CB 4.49Å; V149-V174 HydrophobicContact CG1-CB 4.45Å; V149-V174 HydrophobicContact CG1-CG2 4Å; V149-V174 PolarHBondContact O-N 3.34Å; V149-V183 HydrophobicContact CG2-CB 3.84Å; V149-V183 HydrophobicContact CG2-CG1 3.76Å; V149-V183 HydrophobicContact CG2-CG2 3.68Å; V149-I186 HydrophobicContact CG2-CG2 3.96Å
150Y98.3Very high97.7Very high18 Ų1817.6 Ų17.67%0.07110%0.095CC..EExtended strand (participates in β ladder)trans-114.2144.5171.9-73.8-106.5000109.5N124 L125 K128 I141 A142 T144 E148 P171 R172 R173N124-Y150 HydrophobicContact CB-CE1 4.08Å; L125-Y150 HydrophobicContact CD2-CD1 3.81Å; L125-Y150 HydrophobicContact CD2-CD2 3.94Å; L125-Y150 HydrophobicContact CD2-CE1 4.24Å; L125-Y150 HydrophobicContact CD2-CE2 4.39Å; L125-Y150 HydrophobicContact CD2-CG 3.64Å; K128-Y150 WeakPolarHBondContact CE-OH 3.47Å; K128-Y150 HydrophobicContact CG-CE2 4.36Å; I141-Y150 CarbonylContact C-O 3.55Å; I141-Y150 WeakPolarHBondContact CA-O 3.21Å; A142-Y150 PolarHBondContact N-O 3.17Å; A142-Y150 PolarHBondContact O-N 3.46Å; T144-Y150 HydrophobicContact CG2-CD2 3.97Å; T144-Y150 HydrophobicContact CG2-CE2 3.9Å; E148-Y150 HydrophobicContact CB-CE2 4.03Å; Y150-P171 HydrophobicContact CD1-CB 4.25Å; Y150-R172 CarbonylContact C-O 3.01Å; Y150-R172 WeakPolarHBondContact CA-O 3.45Å; Y150-R173 HydrophobicContact CD1-CB 4.16Å; Y150-R173 HydrophobicContact CE1-CB 3.83Å; Y150-R173 HydrophobicContact CE2-CB 4.42Å; Y150-R173 HydrophobicContact CE2-CG 4.35Å
151A98.3Very high97.6Very high0 Ų017.7 Ų17.70%010%0.096CC..EExtended strand (participates in β ladder)trans-141.4148.2-179.900000111.7T140 I141 V160 R172 V174T140-A151 CarbonylContact O-C 3.21Å; T140-A151 VanDerWaalsContact O-CA 3.28Å; T140-A151 WeakPolarHBondContact O-CA 3.43Å; I141-A151 HydrophobicContact CG2-CB 3.66Å; A151-V160 HydrophobicContact CB-CB 4.28Å; A151-V160 HydrophobicContact CB-CG1 3.7Å; A151-V160 WeakPolarHBondContact CB-O 3.41Å; A151-R172 PolarHBondContact N-O 3.16Å; A151-R172 PolarHBondContact O-N 3.27Å; A151-V174 HydrophobicContact CB-CG2 3.73Å
152W98.6Very high97.4Very high0 Ų018.8 Ų18.80%010%0.104CC..EExtended strand (participates in β ladder)trans-157.4174176.662.692.2000112.3Q106 G108 L125 H139 T140 A142 Q168 P171Q106-W152 PolarHBondContact O-NE1 2.94Å; G108-W152 VanDerWaalsContact N-CD1 3.33Å; L125-W152 HydrophobicContact CD1-CH2 3.96Å; L125-W152 HydrophobicContact CD1-CZ3 4.02Å; H139-W152 WeakPolarHBondContact CA-O 3.45Å; T140-W152 HydrophobicContact CG2-CD2 4.49Å; T140-W152 HydrophobicContact CG2-CH2 3.69Å; T140-W152 HydrophobicContact CG2-CZ2 3.31Å; T140-W152 HydrophobicContact CG2-CZ3 4.39Å; T140-W152 PolarHBondContact N-O 3.46Å; T140-W152 PolarHBondContact O-N 2.98Å; A142-W152 HydrophobicContact CB-CH2 3.84Å; A142-W152 HydrophobicContact CB-CZ3 3.81Å; W152-Q168 HydrophobicContact CB-CG 4.35Å; W152-Q168 WeakPolarHBondContact CB-O 3.34Å; W152-P171 HydrophobicContact CD2-CB 4.18Å; W152-P171 HydrophobicContact CD2-CG 3.85Å; W152-P171 HydrophobicContact CE3-CB 3.55Å; W152-P171 HydrophobicContact CE3-CG 3.65Å; W152-P171 HydrophobicContact CG-CG 4.41Å; W152-P171 HydrophobicContact CH2-CG 4.39Å; W152-P171 HydrophobicContact CZ3-CB 3.9Å; W152-P171 HydrophobicContact CZ3-CG 3.95Å
153G98.3Very high97.3Very high0 Ų020.8 Ų20.80%013%0.125CC..EExtended strand (participates in β ladder)trans96.3-147.4-179.200000113.9Y104 N167 Q168Y104-G153 CarbonylContact O-C 3.23Å; Y104-G153 VanDerWaalsContact O-CA 3.28Å; Y104-G153 WeakPolarHBondContact O-CA 3.39Å; G153-N167 WeakPolarHBondContact O-CA 3.49Å; G153-Q168 PolarHBondContact N-O 3.23Å; G153-Q168 PolarHBondContact O-N 3.27Å
154Y98.2Very high97.1Very high47 Ų4722.8 Ų22.818%0.18414%0.139CC..  trans-62.3133.6-177.3-172.6-121.8000112.1Y104 H138 H139 N156 Q159 N167 L191Y104-Y154 AromaticContact CD1-CD2 3.48Å; Y104-Y154 HydrophobicContact CD1-CD2 3.48Å; Y104-Y154 VanDerWaalsContact CD1-CD2 3.48Å; Y104-Y154 AromaticContact CD1-CE2 3.91Å; Y104-Y154 HydrophobicContact CD1-CE2 3.91Å; Y104-Y154 HydrophobicContact CD1-CG 4.37Å; Y104-Y154 HydrophobicContact CE1-CD2 4.05Å; Y104-Y154 HydrophobicContact CE1-CE2 4.03Å; Y104-Y154 AromaticContact CG-CD2 3.73Å; Y104-Y154 HydrophobicContact CG-CD2 3.73Å; Y104-Y154 HydrophobicContact CG-CG 4.2Å; Y104-Y154 PolarHBondContact O-N 3.26Å; H138-Y154 HydrophobicContact CB-CG 4.3Å; H138-Y154 WeakPolarHBondContact O-CB 3.36Å; H138-Y154 PolarHBondContact O-N 2.99Å; H139-Y154 WeakPolarHBondContact CB-O 3.45Å; Y154-N156 HydrophobicContact CE1-CB 4.13Å; Y154-N156 HydrophobicContact CE2-CB 3.91Å; Y154-N156 WeakPolarHBondContact CE2-ND2 3.33Å; Y154-N156 VanDerWaalsContact CZ-CG 3.48Å; Y154-N156 WeakPolarHBondContact OH-CB 3.22Å; Y154-N156 VanDerWaalsContact OH-CG 3.31Å; Y154-N156 PolarHBondContact OH-ND2 3.46Å; Y154-Q159 WeakPolarHBondContact O-CG 3.18Å; Y154-Q159 PolarHBondContact O-NE2 3.47Å; Y154-Q159 VanDerWaalsContact O-NE2 3.11Å; Y154-N167 WeakPolarHBondContact CA-OD1 3.15Å; Y154-N167 WeakPolarHBondContact CD2-OD1 3.36Å; Y154-L191 HydrophobicContact CD1-CD2 3.72Å; Y154-L191 HydrophobicContact CE1-CD2 3.67Å
155N97.9Very high97Very high0 Ų025.7 Ų25.70%016%0.157CC..  trans-140.414.9-171.5-166.936000115.2S157 G158 Q159 V160 S162 S164 T165 A166 N167N155-S157 PolarHBondContact O-N 2.8Å; N155-G158 PolarHBondContact O-N 3.39Å; N155-G158 WeakPolarHBondContact OD1-CA 3.31Å; N155-Q159 PolarHBondContact OD1-N 3.21Å; N155-Q159 VanDerWaalsContact OD1-N 3.15Å; N155-V160 HydrophobicContact CB-CB 4.15Å; N155-V160 HydrophobicContact CB-CG2 3.7Å; N155-V160 WeakPolarHBondContact OD1-CB 3.19Å; N155-V160 PolarHBondContact OD1-N 2.98Å; N155-S162 PolarHBondContact ND2-OG 3.16Å; N155-S164 PolarHBondContact ND2-O 3.37Å; N155-T165 CarbonylContact C-O 3.58Å; N155-T165 CarbonylContact O-C 3.48Å; N155-T165 VanDerWaalsContact O-CA 3.24Å; N155-T165 WeakPolarHBondContact O-CA 3.24Å; N155-A166 WeakPolarHBondContact CB-O 3.26Å; N155-A166 PolarHBondContact ND2-O 2.87Å; N155-N167 PolarHBondContact N-OD1 2.82Å
156N97.6Very high97.1Very high86 Ų8625.5 Ų25.546%0.4616%0.159SC..THydrogen-bonded Turntrans-58.6-22.1-175-74.811.8000114.6Y154Y154-N156 HydrophobicContact CE1-CB 4.13Å; Y154-N156 HydrophobicContact CE2-CB 3.91Å; Y154-N156 WeakPolarHBondContact CE2-ND2 3.33Å; Y154-N156 VanDerWaalsContact CZ-CG 3.48Å; Y154-N156 WeakPolarHBondContact OH-CB 3.22Å; Y154-N156 VanDerWaalsContact OH-CG 3.31Å; Y154-N156 PolarHBondContact OH-ND2 3.46Å
157S97.2Very high97.1Very high14 Ų1423.7 Ų23.710%0.09815%0.15CC..THydrogen-bonded Turntrans-104.53.7176.5-59.80000113.4N155 G206N155-S157 PolarHBondContact O-N 2.8Å; S157-G206 CarbonylContact O-C 3.59Å; S157-G206 VanDerWaalsContact O-C 3.23Å; S157-G206 WeakPolarHBondContact O-CA 3.45Å
158G97.1Very high97.2Very high0 Ų025 Ų250%016%0.155CC..SBendtrans86.612.3-178.300000115N155 V160 G161N155-G158 PolarHBondContact O-N 3.39Å; N155-G158 WeakPolarHBondContact OD1-CA 3.31Å; G158-V160 PolarHBondContact O-N 3.12Å; G158-V160 VanDerWaalsContact O-N 3.15Å; G158-G161 PolarHBondContact O-N 3.45Å
159Q97.1Very high97.2Very high0 Ų026.1 Ų26.10%017%0.165CC..THydrogen-bonded Turntrans-65.1-13.2-175.262.1-96.35200115H139 Y154 N155 G161 L191 S193 W205H139-Q159 HydrophobicContact CB-CG 4.03Å; Y154-Q159 WeakPolarHBondContact O-CG 3.18Å; Y154-Q159 PolarHBondContact O-NE2 3.47Å; Y154-Q159 VanDerWaalsContact O-NE2 3.11Å; N155-Q159 PolarHBondContact OD1-N 3.21Å; N155-Q159 VanDerWaalsContact OD1-N 3.15Å; Q159-G161 VanDerWaalsContact C-N 3.34Å; Q159-L191 WeakPolarHBondContact CB-O 3.39Å; Q159-L191 VanDerWaalsContact NE2-CD2 3.35Å; Q159-S193 PolarHBondContact O-OG 3.37Å; Q159-W205 VanDerWaalsContact O-CD1 3.29Å; Q159-W205 PolarHBondContact O-NE1 3.37Å
160V97.1Very high97.2Very high2 Ų227.4 Ų27.41%0.01217%0.172CC..THydrogen-bonded Turntrans-82.3-16170.8176.50000111.4A151 N155 G158 S162 Q168A151-V160 HydrophobicContact CB-CB 4.28Å; A151-V160 HydrophobicContact CB-CG1 3.7Å; A151-V160 WeakPolarHBondContact CB-O 3.41Å; N155-V160 HydrophobicContact CB-CB 4.15Å; N155-V160 HydrophobicContact CB-CG2 3.7Å; N155-V160 WeakPolarHBondContact OD1-CB 3.19Å; N155-V160 PolarHBondContact OD1-N 2.98Å; G158-V160 PolarHBondContact O-N 3.12Å; G158-V160 VanDerWaalsContact O-N 3.15Å; V160-S162 VanDerWaalsContact C-N 3.31Å; V160-S162 PolarHBondContact O-N 2.76Å; V160-Q168 HydrophobicContact CG1-CB 3.78Å; V160-Q168 HydrophobicContact CG1-CG 3.94Å; V160-Q168 HydrophobicContact CG2-CB 4.24Å
161G96.6Very high97.1Very high2 Ų226.5 Ų26.52%0.02117%0.169CC..  trans74.320.7176.100000114.3G158 Q159 W205 Q222G158-G161 PolarHBondContact O-N 3.45Å; Q159-G161 VanDerWaalsContact C-N 3.34Å; G161-W205 VanDerWaalsContact CA-CD1 3.46Å; G161-Q222 CarbonylContact C-O 3.59Å; G161-Q222 VanDerWaalsContact CA-O 3.26Å; G161-Q222 WeakPolarHBondContact CA-O 3.17Å
162S94.4Very high97Very high23 Ų2331.8 Ų31.816%0.16119%0.189CC..SBendtrans-83.9-4.7-172.465.50000115N155 V160 S164 Q222N155-S162 PolarHBondContact ND2-OG 3.16Å; V160-S162 VanDerWaalsContact C-N 3.31Å; V160-S162 PolarHBondContact O-N 2.76Å; S162-S164 VanDerWaalsContact C-N 3.26Å; S162-S164 PolarHBondContact OG-N 3.03Å; S162-Q222 PolarHBondContact N-O 3.18Å
163G95.4Very high96.9Very high42 Ų4235.6 Ų35.643%0.43320%0.203SC..SBendtrans73.816.7-169.100000113.7Q222G163-Q222 WeakPolarHBondContact CA-O 3.21Å; G163-Q222 PolarHBondContact N-O 3.5Å; G163-Q222 PolarHBondContact O-OE1 2.86Å
164S95.1Very high96.8Very high47 Ų4735.9 Ų35.933%0.32921%0.205SC..SBendtrans-139.3166.9178.4-179.20000109.5N155 S162 A166N155-S164 PolarHBondContact ND2-O 3.37Å; S162-S164 VanDerWaalsContact C-N 3.26Å; S162-S164 PolarHBondContact OG-N 3.03Å; S164-A166 PolarHBondContact OG-N 3.48Å
165T96.7Very high96.3Very high63 Ų6336.1 Ų36.139%0.38721%0.213SC..  trans-105.13.4170.953.80000113.5N155 Q222N155-T165 CarbonylContact C-O 3.58Å; N155-T165 CarbonylContact O-C 3.48Å; N155-T165 VanDerWaalsContact O-CA 3.24Å; N155-T165 WeakPolarHBondContact O-CA 3.24Å; T165-Q222 HydrophobicContact CG2-CG 4.23Å
166A97.2Very high95.7Very high57 Ų5738.4 Ų38.447%0.47123%0.229SC..SBendtrans-75.5137.9176.700000111.2N155 S164N155-A166 WeakPolarHBondContact CB-O 3.26Å; N155-A166 PolarHBondContact ND2-O 2.87Å; S164-A166 PolarHBondContact OG-N 3.48Å
167N97.3Very high95.3Very high60 Ų6037 Ų3732%0.32123%0.226SC..  trans-56.1145.5173.8-66.2-15.6000110.6G153 Y154 N155 P169G153-N167 WeakPolarHBondContact O-CA 3.49Å; Y154-N167 WeakPolarHBondContact CA-OD1 3.15Å; Y154-N167 WeakPolarHBondContact CD2-OD1 3.36Å; N155-N167 PolarHBondContact N-OD1 2.82Å; N167-P169 WeakPolarHBondContact O-CD 3.47Å
168Q97.6Very high95.1Very high31 Ų3136.9 Ų36.915%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-112.5103.3-173.3-177.361.155.400108.9W152 G153 V160 T170 R172W152-Q168 HydrophobicContact CB-CG 4.35Å; W152-Q168 WeakPolarHBondContact CB-O 3.34Å; G153-Q168 PolarHBondContact N-O 3.23Å; G153-Q168 PolarHBondContact O-N 3.27Å; V160-Q168 HydrophobicContact CG1-CB 3.78Å; V160-Q168 HydrophobicContact CG1-CG 3.94Å; V160-Q168 HydrophobicContact CG2-CB 4.24Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 VanDerWaalsContact CG-O 3.32Å; Q168-T170 WeakPolarHBondContact CG-O 3.19Å; Q168-T170 PolarHBondContact NE2-O 2.91Å; Q168-T170 VanDerWaalsContact NE2-O 3.17Å; Q168-T170 PolarHBondContact O-N 3.08Å; Q168-R172 HydrophobicContact CG-CB 3.84Å
169P97.4Very high94.7Very high52 Ų5242.1 Ų42.134%0.33825%0.248SC..EExtended strand (participates in β ladder)trans-77.8-12.9-166.930.8-37.3000115.1G108 N109 G110 N167G108-P169 CarbonylContact C-O 3.13Å; G108-P169 WeakPolarHBondContact CA-O 3.08Å; N109-P169 PolarHBondContact N-O 2.94Å; G110-P169 WeakPolarHBondContact CA-O 3.32Å; G110-P169 PolarHBondContact N-O 2.98Å; N167-P169 WeakPolarHBondContact O-CD 3.47Å
170T97.6Very high94.2Very high31 Ų3149 Ų4919%0.1929%0.285CS..EExtended strand (participates in β ladder)trans-137.6151.3178.755.70000110.1T123 Q168 R172T123-T170 HydrophobicContact CG2-CG2 3.95Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 VanDerWaalsContact CG-O 3.32Å; Q168-T170 WeakPolarHBondContact CG-O 3.19Å; Q168-T170 PolarHBondContact NE2-O 2.91Å; Q168-T170 VanDerWaalsContact NE2-O 3.17Å; Q168-T170 PolarHBondContact O-N 3.08Å; T170-R172 PolarHBondContact O-N 2.68Å
171P97.9Very high94.1Very high0 Ų052.2 Ų52.20%030%0.299CS..EExtended strand (participates in β ladder)trans-48.8126.4178.4-27.432.9000112.4G108 V121 T123 N124 L125 Y150 W152G108-P171 VanDerWaalsContact O-CD 3.31Å; G108-P171 WeakPolarHBondContact O-CD 3.43Å; V121-P171 HydrophobicContact CG1-CG 3.48Å; V121-P171 VanDerWaalsContact CG1-CG 3.48Å; T123-P171 WeakPolarHBondContact O-CG 3.24Å; N124-P171 WeakPolarHBondContact CB-O 3.35Å; N124-P171 PolarHBondContact ND2-O 3.26Å; L125-P171 HydrophobicContact CD1-CB 3.84Å; L125-P171 HydrophobicContact CD1-CG 3.62Å; L125-P171 HydrophobicContact CD2-CB 4.37Å; L125-P171 HydrophobicContact CG-CB 3.8Å; L125-P171 HydrophobicContact CG-CG 3.95Å; Y150-P171 HydrophobicContact CD1-CB 4.25Å; W152-P171 HydrophobicContact CD2-CB 4.18Å; W152-P171 HydrophobicContact CD2-CG 3.85Å; W152-P171 HydrophobicContact CE3-CB 3.55Å; W152-P171 HydrophobicContact CE3-CG 3.65Å; W152-P171 HydrophobicContact CG-CG 4.41Å; W152-P171 HydrophobicContact CH2-CG 4.39Å; W152-P171 HydrophobicContact CZ3-CB 3.9Å; W152-P171 HydrophobicContact CZ3-CG 3.95Å
172R96.1Very high94.1Very high111 Ų11155.2 Ų55.242%0.41932%0.317SS..EExtended strand (participates in β ladder)trans-124.6131.2177.5-180175.1176.2179.8-4.1110Y150 A151 Q168 T170 V174Y150-R172 CarbonylContact C-O 3.01Å; Y150-R172 WeakPolarHBondContact CA-O 3.45Å; A151-R172 PolarHBondContact N-O 3.16Å; A151-R172 PolarHBondContact O-N 3.27Å; Q168-R172 HydrophobicContact CG-CB 3.84Å; T170-R172 PolarHBondContact O-N 2.68Å; R172-V174 PolarHBondContact O-N 2.95Å
173R96Very high94.3Very high80 Ų8054.3 Ų54.330%0.30231%0.31SS..EExtended strand (participates in β ladder)trans-63.5126.9175.1-171.5-176.7175-1715.3110.7E148 V149 Y150 S175E148-R173 IonicContact OE1-CZ 2.78Å; E148-R173 IonicContact OE1-NE 3.78Å; E148-R173 PolarHBondContact OE1-NE 3.06Å; E148-R173 IonicContact OE1-NH1 3.04Å; E148-R173 PolarHBondContact OE1-NH1 3.11Å; E148-R173 IonicContact OE1-NH2 2.73Å; E148-R173 PolarHBondContact OE1-NH2 3.09Å; V149-R173 WeakPolarHBondContact O-CA 3.46Å; Y150-R173 HydrophobicContact CD1-CB 4.16Å; Y150-R173 HydrophobicContact CE1-CB 3.83Å; Y150-R173 HydrophobicContact CE2-CB 4.42Å; Y150-R173 HydrophobicContact CE2-CG 4.35Å; R173-S175 VanDerWaalsContact C-N 3.32Å; R173-S175 WeakPolarHBondContact CG-OG 3.49Å; R173-S175 PolarHBondContact O-N 3.26Å; R173-S175 PolarHBondContact O-OG 3.04Å
174V96.2Very high94.4Very high6 Ų655.7 Ų55.74%0.03631%0.31CS..  trans-78.282.4176.3-171.60000108.8V149 A151 R172 L178 P224V149-V174 HydrophobicContact CB-CB 4.49Å; V149-V174 HydrophobicContact CG1-CB 4.45Å; V149-V174 HydrophobicContact CG1-CG2 4Å; V149-V174 PolarHBondContact O-N 3.34Å; A151-V174 HydrophobicContact CB-CG2 3.73Å; R172-V174 PolarHBondContact O-N 2.95Å; V174-L178 HydrophobicContact CB-CD1 4.49Å; V174-L178 HydrophobicContact CG1-CD1 4.09Å; V174-P224 HydrophobicContact CG1-CG 3.4Å; V174-P224 VanDerWaalsContact CG1-CG 3.4Å
175S86.6Confident94.5Very high51 Ų5154.7 Ų54.736%0.35730%0.301SS..  trans-97.611.5-164.6-470000114.7R173 Q179R173-S175 VanDerWaalsContact C-N 3.32Å; R173-S175 WeakPolarHBondContact CG-OG 3.49Å; R173-S175 PolarHBondContact O-N 3.26Å; R173-S175 PolarHBondContact O-OG 3.04Å; S175-Q179 WeakPolarHBondContact O-CB 3.09Å
176S85.3Confident94.6Very high48 Ų4851.9 Ų51.934%0.33628%0.284SS..SBendtrans-79.3-108.7-17853.50000111L178 Q179 P224S176-L178 PolarHBondContact O-N 2.68Å; S176-Q179 PolarHBondContact O-N 3.16Å; S176-Q179 VanDerWaalsContact O-N 3.17Å; S176-P224 VanDerWaalsContact OG-CD 3.32Å; S176-P224 WeakPolarHBondContact OG-CD 3.49Å
177C89.3Confident94.7Very high58 Ų5849.6 Ų49.639%0.39227%0.265SS..THydrogen-bonded Turntrans-69.8-4-177.1-59.50000114.5K181 Y203 P224C177-K181 VanDerWaalsContact O-CE 3.25Å; C177-K181 WeakPolarHBondContact O-CE 3.02Å; C177-K181 PolarHBondContact O-NZ 2.72Å; C177-Y203 HydrophobicContact CB-CD1 4.31Å; C177-Y203 HydrophobicContact CB-CE1 3.94Å; C177-P224 HydrophobicContact CB-CB 4.29Å; C177-P224 WeakPolarHBondContact CB-O 3.39Å; C177-P224 PolarHBondContact SG-O 2.58Å
178L92.7Very high94.7Very high11 Ų1147.2 Ų47.26%0.05825%0.253CS..THydrogen-bonded Turntrans-103.30.3178.6-57.8179.4000112.9V174 S176 N180 K181 A195 L197 Y203 W205 P224V174-L178 HydrophobicContact CB-CD1 4.49Å; V174-L178 HydrophobicContact CG1-CD1 4.09Å; S176-L178 PolarHBondContact O-N 2.68Å; L178-N180 PolarHBondContact O-N 2.93Å; L178-K181 PolarHBondContact O-N 3.18Å; L178-A195 HydrophobicContact CD1-CB 4.45Å; L178-L197 HydrophobicContact CD2-CD2 4.2Å; L178-Y203 HydrophobicContact CD2-CD1 4.07Å; L178-Y203 HydrophobicContact CD2-CD2 3.98Å; L178-Y203 HydrophobicContact CD2-CG 3.76Å; L178-W205 HydrophobicContact CD1-CH2 4.08Å; L178-W205 HydrophobicContact CD1-CZ3 4.1Å; L178-P224 HydrophobicContact CD1-CB 4.14Å; L178-P224 HydrophobicContact CD1-CG 3.81Å; L178-P224 HydrophobicContact CD2-CB 4.4Å; L178-P224 HydrophobicContact CG-CB 3.94Å; L178-P224 HydrophobicContact CG-CG 3.96Å
179Q88.4Confident94.7Very high109 Ų10945.7 Ų45.751%0.50925%0.246SC..THydrogen-bonded Turntrans-61.7133.6177-162.317514.800111S175 S176 K181S175-Q179 WeakPolarHBondContact O-CB 3.09Å; S176-Q179 PolarHBondContact O-N 3.16Å; S176-Q179 VanDerWaalsContact O-N 3.17Å; Q179-K181 PolarHBondContact O-N 2.82Å
180N87.9Confident94.6Very high145 Ų14545 Ų4578%0.77524%0.238SC*.THydrogen-bonded Turntrans59.923.8-178.6-50.5-35.7000114.4L178L178-N180 PolarHBondContact O-N 2.93Å
181K94.7Very high94.6Very high70 Ų7044.9 Ų44.930%0.30424%0.236SC..  trans-114149.9171.7-55.9-169.4-175.7171.20109.4C177 L178 Q179 L197 Y203C177-K181 VanDerWaalsContact O-CE 3.25Å; C177-K181 WeakPolarHBondContact O-CE 3.02Å; C177-K181 PolarHBondContact O-NZ 2.72Å; L178-K181 PolarHBondContact O-N 3.18Å; Q179-K181 PolarHBondContact O-N 2.82Å; K181-L197 HydrophobicContact CB-CD1 4Å; K181-L197 HydrophobicContact CB-CD2 3.9Å; K181-L197 HydrophobicContact CD-CD1 3.42Å; K181-L197 VanDerWaalsContact CD-CD1 3.42Å; K181-L197 HydrophobicContact CG-CD1 4.27Å; K181-Y203 PolarHBondContact NZ-OH 2.92Å
182V96.8Very high94.6Very high64 Ų6444.9 Ų44.939%0.38824%0.236SC..  trans-100.4110.4179.8-179.10000107.7V184 L197 D198V182-V184 HydrophobicContact CG1-CG1 4.44Å; V182-L197 CarbonylContact O-C 3.35Å; V182-L197 VanDerWaalsContact O-CA 3.28Å; V182-L197 WeakPolarHBondContact O-CA 3.37Å; V182-D198 HydrophobicContact CB-CB 4.22Å; V182-D198 HydrophobicContact CG1-CB 4.28Å; V182-D198 PolarHBondContact O-N 2.76Å
183V98.1Very high94.7Very high5 Ų539.6 Ų39.63%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-81.9138.6171.6177.20000108.6L143 G147 V149 N185 I186 A195 V196 L197L143-V183 HydrophobicContact CD1-CB 3.7Å; L143-V183 HydrophobicContact CD1-CG1 3.71Å; L143-V183 HydrophobicContact CD2-CG1 4.33Å; G147-V183 WeakPolarHBondContact CA-O 3.29Å; G147-V183 WeakPolarHBondContact O-CB 3.5Å; G147-V183 PolarHBondContact O-N 3.5Å; V149-V183 HydrophobicContact CG2-CB 3.84Å; V149-V183 HydrophobicContact CG2-CG1 3.76Å; V149-V183 HydrophobicContact CG2-CG2 3.68Å; V183-N185 WeakPolarHBondContact CG1-O 3.42Å; V183-I186 HydrophobicContact CG1-CG2 3.8Å; V183-A195 HydrophobicContact CG1-CB 3.87Å; V183-A195 HydrophobicContact CG2-CB 4.2Å; V183-V196 CarbonylContact C-O 3.54Å; V183-V196 WeakPolarHBondContact CA-O 3.45Å; V183-V196 WeakPolarHBondContact CG1-O 3.46Å; V183-L197 HydrophobicContact CB-CD2 4.4Å; V183-L197 HydrophobicContact CG2-CD2 3.58Å
184V97.5Very high94.8Very high70 Ų7035.8 Ų35.842%0.42420%0.202SC..EExtended strand (participates in β ladder)trans-119.3-17.4-179.3-62.60000113.6V182 V196 D198V182-V184 HydrophobicContact CG1-CG1 4.44Å; V184-V196 HydrophobicContact CG2-CG1 4.27Å; V184-V196 PolarHBondContact N-O 2.96Å; V184-D198 HydrophobicContact CG1-CB 3.68Å
185N98.1Very high94.9Very high26 Ų2635.5 Ų35.514%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-150.4144.4175.4179.7-117000110.8E132 V183 A195 V196 V238E132-N185 PolarHBondContact OE1-ND2 3.04Å; V183-N185 WeakPolarHBondContact CG1-O 3.42Å; N185-A195 WeakPolarHBondContact O-CA 3.46Å; N185-V196 HydrophobicContact CB-CB 4.26Å; N185-V196 PolarHBondContact N-O 2.88Å; N185-V196 PolarHBondContact O-N 3.34Å; N185-V238 VanDerWaalsContact OD1-CG1 3.22Å; N185-V238 WeakPolarHBondContact OD1-CG1 3.14Å; N185-V238 PolarHBondContact OD1-N 3.3Å; N185-V238 PolarHBondContact OD1-O 3.35Å
186I98.4Very high95.5Very high4 Ų433.1 Ų33.12%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-129.6148.7179.750.8162.2000110.9E132 A134 I141 L143 V149 V183 M194 A195E132-I186 HydrophobicContact CB-CD1 4.27Å; E132-I186 HydrophobicContact CB-CG1 4.27Å; E132-I186 VanDerWaalsContact CD-CG1 3.42Å; E132-I186 HydrophobicContact CG-CD1 4.02Å; E132-I186 HydrophobicContact CG-CG1 3.77Å; A134-I186 HydrophobicContact CB-CD1 4.14Å; A134-I186 HydrophobicContact CB-CG1 4.43Å; I141-I186 HydrophobicContact CD1-CB 3.74Å; I141-I186 HydrophobicContact CD1-CD1 4.18Å; I141-I186 HydrophobicContact CD1-CG1 4.46Å; I141-I186 HydrophobicContact CD1-CG2 4.26Å; I141-I186 HydrophobicContact CG1-CB 4.48Å; I141-I186 HydrophobicContact CG1-CD1 3.96Å; L143-I186 HydrophobicContact CB-CD1 3.74Å; L143-I186 HydrophobicContact CB-CG1 4.01Å; L143-I186 HydrophobicContact CB-CG2 4.2Å; L143-I186 HydrophobicContact CD2-CG1 4.49Å; L143-I186 HydrophobicContact CD2-CG2 4.48Å; V149-I186 HydrophobicContact CG2-CG2 3.96Å; V183-I186 HydrophobicContact CG1-CG2 3.8Å; I186-M194 WeakPolarHBondContact CA-O 3.23Å; I186-A195 HydrophobicContact CG2-CB 4.41Å
187A98.3Very high96.1Very high9 Ų930.9 Ų30.97%0.07417%0.167CC..EExtended strand (participates in β ladder)trans-148151.8172.300000111.4S193 M194 V238 C240A187-S193 CarbonylContact O-C 3.52Å; A187-S193 WeakPolarHBondContact O-CA 3.49Å; A187-M194 HydrophobicContact CB-CB 4.48Å; A187-M194 PolarHBondContact N-O 3.09Å; A187-M194 VanDerWaalsContact N-O 3.07Å; A187-M194 PolarHBondContact O-N 3.13Å; A187-V238 HydrophobicContact CB-CG1 3.83Å; A187-V238 HydrophobicContact CB-CG2 4.41Å; A187-C240 HydrophobicContact CB-CB 4.27Å
188C97.9Very high96.4Very high10 Ų1032.8 Ų32.87%0.06817%0.174CC..EExtended strand (participates in β ladder)trans-119.4128.8175.5-82.50000110.6A134 C135 H139 I141 C192 C240 H293A134-C188 HydrophobicContact CB-CB 4.33Å; C135-C188 VanDerWaalsContact O-CB 3.3Å; C135-C188 WeakPolarHBondContact O-CB 3.4Å; H139-C188 PolarHBondContact NE2-SG 3.03Å; H139-C188 VanDerWaalsContact NE2-SG 3.35Å; I141-C188 VanDerWaalsContact CD1-SG 3.54Å; I141-C188 VanDerWaalsContact CG1-SG 3.55Å; C188-C192 WeakPolarHBondContact CA-O 3.46Å; C188-C240 VanDerWaalsContact O-CB 3.26Å; C188-C240 WeakPolarHBondContact O-CB 3.27Å; C188-H293 WeakPolarHBondContact O-CB 3.27Å
189G97Very high96.5Very high0 Ų036.4 Ų36.40%019%0.193CC..  trans-83.4-170157.100000110.3G136 L191 C192 C240 G241G136-G189 WeakPolarHBondContact CA-O 3.38Å; G189-L191 VanDerWaalsContact C-N 3.33Å; G189-L191 PolarHBondContact O-N 2.76Å; G189-C192 PolarHBondContact N-O 3.47Å; G189-C240 VanDerWaalsContact N-CB 3.28Å; G189-G241 WeakPolarHBondContact CA-O 3.24Å
190Q95.8Very high96.8Very high37 Ų3731.3 Ų31.317%0.17317%0.17CC..SBendtrans-63.3-38-176.5-163.6-90.5-3000112.8S137 Y242S137-Q190 WeakPolarHBondContact CB-O 3.13Å; S137-Q190 PolarHBondContact N-O 3.06Å; S137-Q190 PolarHBondContact OG-NE2 3.34Å; S137-Q190 VanDerWaalsContact OG-NE2 3.14Å; S137-Q190 PolarHBondContact OG-O 2.87Å; Q190-Y242 HydrophobicContact CB-CD2 4.24Å; Q190-Y242 HydrophobicContact CB-CE2 4.36Å; Q190-Y242 HydrophobicContact CB-CG 4.46Å; Q190-Y242 WeakPolarHBondContact CB-O 3.42Å; Q190-Y242 HydrophobicContact CG-CD2 4.13Å; Q190-Y242 HydrophobicContact CG-CE2 3.85Å; Q190-Y242 PolarHBondContact N-O 2.83Å
191L97.3Very high97.3Very high28 Ų2826.5 Ų26.515%0.14714%0.143CC..SBendtrans-139.322.4178.8-68.7165.2000113Y154 Q159 G189 Y207Y154-L191 HydrophobicContact CD1-CD2 3.72Å; Y154-L191 HydrophobicContact CE1-CD2 3.67Å; Q159-L191 WeakPolarHBondContact CB-O 3.39Å; Q159-L191 VanDerWaalsContact NE2-CD2 3.35Å; G189-L191 VanDerWaalsContact C-N 3.33Å; G189-L191 PolarHBondContact O-N 2.76Å; L191-Y207 HydrophobicContact CB-CG 4.21Å; L191-Y207 HydrophobicContact CD1-CG 4.43Å; L191-Y207 VanDerWaalsContact O-CB 3.3Å; L191-Y207 WeakPolarHBondContact O-CB 3.19Å; L191-Y207 PolarHBondContact O-N 3.08Å
192C97.8Very high97.4Very high1 Ų123.4 Ų23.41%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-136.1161.5176.260.60000110.5C188 G189 M194 W205 Q212 L213C188-C192 WeakPolarHBondContact CA-O 3.46Å; G189-C192 PolarHBondContact N-O 3.47Å; C192-M194 HydrophobicContact CB-CE 4.42Å; C192-W205 CarbonylContact C-O 3.46Å; C192-W205 VanDerWaalsContact CA-O 3.29Å; C192-W205 WeakPolarHBondContact CA-O 3.45Å; C192-W205 WeakPolarHBondContact CB-O 3.3Å; C192-Q212 HydrophobicContact CB-CG 4.42Å; C192-L213 HydrophobicContact CB-CD2 3.71Å
193S98.4Very high97.5Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-130.7147.3177.5-49.20000109.5H139 Q159 A187 G204 W205H139-S193 PolarHBondContact NE2-OG 3.18Å; Q159-S193 PolarHBondContact O-OG 3.37Å; A187-S193 CarbonylContact O-C 3.52Å; A187-S193 WeakPolarHBondContact O-CA 3.49Å; S193-G204 WeakPolarHBondContact O-CA 3.29Å; S193-W205 VanDerWaalsContact CB-CE2 3.42Å; S193-W205 VanDerWaalsContact CB-CZ2 3.49Å; S193-W205 PolarHBondContact N-O 3.19Å; S193-W205 PolarHBondContact O-N 3.47Å
194M98.4Very high97.5Very high0 Ų020.7 Ų20.70%011%0.112CC..EExtended strand (participates in β ladder)trans-126.6148.8176.5-59-64.5153.400109.7I186 A187 C192 Y203 G204 Q212 L213 V238 C240 T245I186-M194 WeakPolarHBondContact CA-O 3.23Å; A187-M194 HydrophobicContact CB-CB 4.48Å; A187-M194 PolarHBondContact N-O 3.09Å; A187-M194 VanDerWaalsContact N-O 3.07Å; A187-M194 PolarHBondContact O-N 3.13Å; C192-M194 HydrophobicContact CB-CE 4.42Å; M194-Y203 CarbonylContact C-O 3.58Å; M194-Y203 VanDerWaalsContact CA-O 3.28Å; M194-Y203 WeakPolarHBondContact CA-O 3.18Å; M194-G204 WeakPolarHBondContact SD-CA 3.41Å; M194-Q212 VanDerWaalsContact CE-O 3.26Å; M194-Q212 WeakPolarHBondContact CE-O 3.41Å; M194-L213 HydrophobicContact CE-CD2 3.5Å; M194-L213 VanDerWaalsContact CE-CD2 3.5Å; M194-V238 HydrophobicContact CB-CG1 4.05Å; M194-V238 HydrophobicContact CB-CG2 3.87Å; M194-V238 HydrophobicContact CG-CG2 4.05Å; M194-C240 WeakPolarHBondContact CG-SG 3.46Å; M194-T245 HydrophobicContact CG-CG2 4.17Å
195A98.4Very high97.6Very high0 Ų017.4 Ų17.40%09%0.091CC..EExtended strand (participates in β ladder)trans-140.2137.7170.600000109.9L178 V183 N185 I186 I202 Y203 W205L178-A195 HydrophobicContact CD1-CB 4.45Å; V183-A195 HydrophobicContact CG1-CB 3.87Å; V183-A195 HydrophobicContact CG2-CB 4.2Å; N185-A195 WeakPolarHBondContact O-CA 3.46Å; I186-A195 HydrophobicContact CG2-CB 4.41Å; A195-I202 WeakPolarHBondContact O-CA 3.33Å; A195-Y203 PolarHBondContact N-O 3.31Å; A195-Y203 PolarHBondContact O-N 3.05Å; A195-W205 HydrophobicContact CB-CH2 3.87Å; A195-W205 HydrophobicContact CB-CZ3 3.86Å
196V98.4Very high97.6Very high0 Ų016.1 Ų16.10%09%0.085CC..EExtended strand (participates in β ladder)trans-110.1133.4174.3177.40000108.5V183 V184 N185 E201 I202 I235 V238V183-V196 CarbonylContact C-O 3.54Å; V183-V196 WeakPolarHBondContact CA-O 3.45Å; V183-V196 WeakPolarHBondContact CG1-O 3.46Å; V184-V196 HydrophobicContact CG2-CG1 4.27Å; V184-V196 PolarHBondContact N-O 2.96Å; N185-V196 HydrophobicContact CB-CB 4.26Å; N185-V196 PolarHBondContact N-O 2.88Å; N185-V196 PolarHBondContact O-N 3.34Å; V196-E201 WeakPolarHBondContact CA-O 3.46Å; V196-I202 HydrophobicContact CG2-CB 4.36Å; V196-I202 HydrophobicContact CG2-CD1 4.22Å; V196-I202 HydrophobicContact CG2-CG1 4.08Å; V196-I235 HydrophobicContact CG1-CB 4.11Å; V196-I235 HydrophobicContact CG1-CG2 4.12Å; V196-I235 WeakPolarHBondContact CG1-O 3.45Å; V196-I235 HydrophobicContact CG2-CB 4.49Å; V196-I235 HydrophobicContact CG2-CG2 3.8Å; V196-V238 HydrophobicContact CG2-CB 3.87Å; V196-V238 HydrophobicContact CG2-CG1 3.61Å
197L97.9Very high97.6Very high1 Ų119.2 Ų19.21%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-88.7160.8178.6-59.5-171.4000112L178 K181 V182 V183 N199 G200 E201 Y203L178-L197 HydrophobicContact CD2-CD2 4.2Å; K181-L197 HydrophobicContact CB-CD1 4Å; K181-L197 HydrophobicContact CB-CD2 3.9Å; K181-L197 HydrophobicContact CD-CD1 3.42Å; K181-L197 VanDerWaalsContact CD-CD1 3.42Å; K181-L197 HydrophobicContact CG-CD1 4.27Å; V182-L197 CarbonylContact O-C 3.35Å; V182-L197 VanDerWaalsContact O-CA 3.28Å; V182-L197 WeakPolarHBondContact O-CA 3.37Å; V183-L197 HydrophobicContact CB-CD2 4.4Å; V183-L197 HydrophobicContact CG2-CD2 3.58Å; L197-N199 WeakPolarHBondContact CB-OD1 3.38Å; L197-N199 PolarHBondContact O-N 3.21Å; L197-G200 PolarHBondContact O-N 2.93Å; L197-E201 HydrophobicContact CB-CB 4.36Å; L197-E201 HydrophobicContact CD1-CB 4.06Å; L197-E201 HydrophobicContact CG-CB 4.35Å; L197-E201 PolarHBondContact N-O 3.46Å; L197-Y203 HydrophobicContact CD1-CD2 4.07Å; L197-Y203 HydrophobicContact CD1-CE2 3.57Å; L197-Y203 HydrophobicContact CG-CD2 4.15Å; L197-Y203 HydrophobicContact CG-CE2 4.15Å
198D96.2Very high97.6Very high99 Ų9918.8 Ų18.853%0.5299%0.093SC..THydrogen-bonded Turntrans-57.5-27.4174.865.5-18.9000114.1V182 V184 G200V182-D198 HydrophobicContact CB-CB 4.22Å; V182-D198 HydrophobicContact CG1-CB 4.28Å; V182-D198 PolarHBondContact O-N 2.76Å; V184-D198 HydrophobicContact CG1-CB 3.68Å; D198-G200 VanDerWaalsContact C-N 3.28Å
199N94.4Very high97.5Very high87 Ų8721 Ų2147%0.46511%0.108SC..THydrogen-bonded Turntrans-85.34.8174.971.81.5000114L197 E201L197-N199 WeakPolarHBondContact CB-OD1 3.38Å; L197-N199 PolarHBondContact O-N 3.21Å; N199-E201 PolarHBondContact ND2-OE2 2.99Å; N199-E201 VanDerWaalsContact OD1-CB 3.3Å; N199-E201 WeakPolarHBondContact OD1-CB 3.35Å; N199-E201 VanDerWaalsContact OD1-CG 3.26Å; N199-E201 WeakPolarHBondContact OD1-CG 3.41Å; N199-E201 PolarHBondContact OD1-N 3.4Å
200G95.7Very high97.5Very high1 Ų123.5 Ų23.51%0.0112%0.122CC..SBendtrans85.7-3.3178.800000115.9L197 D198 N234 I235L197-G200 PolarHBondContact O-N 2.93Å; D198-G200 VanDerWaalsContact C-N 3.28Å; G200-N234 WeakPolarHBondContact CA-OD1 3.47Å; G200-I235 WeakPolarHBondContact O-CB 3.48Å; G200-I235 PolarHBondContact O-N 2.78Å; G200-I235 VanDerWaalsContact O-N 3.13Å
201E97.5Very high97.6Very high45 Ų4521.8 Ų21.821%0.2111%0.113CC..  trans-71.4141.1177.3-65.6-179.8147.500111.6V196 L197 N199 Y203 R226V196-E201 WeakPolarHBondContact CA-O 3.46Å; L197-E201 HydrophobicContact CB-CB 4.36Å; L197-E201 HydrophobicContact CD1-CB 4.06Å; L197-E201 HydrophobicContact CG-CB 4.35Å; L197-E201 PolarHBondContact N-O 3.46Å; N199-E201 PolarHBondContact ND2-OE2 2.99Å; N199-E201 VanDerWaalsContact OD1-CB 3.3Å; N199-E201 WeakPolarHBondContact OD1-CB 3.35Å; N199-E201 VanDerWaalsContact OD1-CG 3.26Å; N199-E201 WeakPolarHBondContact OD1-CG 3.41Å; N199-E201 PolarHBondContact OD1-N 3.4Å; E201-Y203 HydrophobicContact CB-CE2 4.09Å; E201-R226 IonicContact OE1-CZ 3.78Å; E201-R226 IonicContact OE1-NE 3.1Å; E201-R226 PolarHBondContact OE1-NE 2.99Å; E201-R226 VanDerWaalsContact OE1-NE 3.1Å; E201-R226 IonicContact OE1-NH2 2.85Å; E201-R226 PolarHBondContact OE1-NH2 3.49Å
202I98.1Very high97.5Very high4 Ų420.6 Ų20.62%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-112.9137.9178.7-173172.7000111.9A195 V196 I227 L230 I235 V238 A247 W257A195-I202 WeakPolarHBondContact O-CA 3.33Å; V196-I202 HydrophobicContact CG2-CB 4.36Å; V196-I202 HydrophobicContact CG2-CD1 4.22Å; V196-I202 HydrophobicContact CG2-CG1 4.08Å; I202-I227 HydrophobicContact CB-CD1 4.49Å; I202-I227 HydrophobicContact CD1-CD1 4.1Å; I202-I227 HydrophobicContact CG1-CD1 4Å; I202-I227 HydrophobicContact CG2-CB 3.85Å; I202-I227 HydrophobicContact CG2-CD1 3.83Å; I202-I227 HydrophobicContact CG2-CG1 4.01Å; I202-I227 PolarHBondContact O-N 2.86Å; I202-L230 HydrophobicContact CG2-CB 4.41Å; I202-L230 HydrophobicContact CG2-CD1 3.78Å; I202-I235 HydrophobicContact CB-CG1 4.43Å; I202-I235 HydrophobicContact CG2-CG1 4.32Å; I202-V238 HydrophobicContact CD1-CB 4.18Å; I202-V238 HydrophobicContact CD1-CG2 3.92Å; I202-A247 HydrophobicContact CD1-CB 4.42Å; I202-W257 HydrophobicContact CD1-CH2 3.89Å; I202-W257 HydrophobicContact CD1-CZ2 4.05Å
203Y98.3Very high97.5Very high13 Ų1320.5 Ų20.55%0.05111%0.107CC..EExtended strand (participates in β ladder)trans-123138.9179.3-76.2-100.1000110.4C177 L178 K181 M194 A195 L197 E201 P224 C225 R226C177-Y203 HydrophobicContact CB-CD1 4.31Å; C177-Y203 HydrophobicContact CB-CE1 3.94Å; L178-Y203 HydrophobicContact CD2-CD1 4.07Å; L178-Y203 HydrophobicContact CD2-CD2 3.98Å; L178-Y203 HydrophobicContact CD2-CG 3.76Å; K181-Y203 PolarHBondContact NZ-OH 2.92Å; M194-Y203 CarbonylContact C-O 3.58Å; M194-Y203 VanDerWaalsContact CA-O 3.28Å; M194-Y203 WeakPolarHBondContact CA-O 3.18Å; A195-Y203 PolarHBondContact N-O 3.31Å; A195-Y203 PolarHBondContact O-N 3.05Å; L197-Y203 HydrophobicContact CD1-CD2 4.07Å; L197-Y203 HydrophobicContact CD1-CE2 3.57Å; L197-Y203 HydrophobicContact CG-CD2 4.15Å; L197-Y203 HydrophobicContact CG-CE2 4.15Å; E201-Y203 HydrophobicContact CB-CE2 4.09Å; Y203-P224 HydrophobicContact CD1-CB 4.12Å; Y203-C225 CarbonylContact C-O 3.37Å; Y203-C225 VanDerWaalsContact CA-O 3.31Å; Y203-C225 WeakPolarHBondContact CA-O 3.31Å; Y203-R226 HydrophobicContact CD1-CB 4.16Å; Y203-R226 HydrophobicContact CE1-CB 3.59Å; Y203-R226 HydrophobicContact CE1-CG 4.28Å; Y203-R226 HydrophobicContact CE2-CB 4.35Å; Y203-R226 HydrophobicContact CE2-CG 4.16Å
204G98.1Very high97.5Very high0 Ų020.6 Ų20.60%011%0.107CC..EExtended strand (participates in β ladder)trans-132.2146.3176.600000112.6S193 M194 C225S193-G204 WeakPolarHBondContact O-CA 3.29Å; M194-G204 WeakPolarHBondContact SD-CA 3.41Å; G204-C225 PolarHBondContact N-O 2.85Å; G204-C225 PolarHBondContact O-N 3.18Å
205W98.5Very high97.5Very high0 Ų022.1 Ų22.10%012%0.115CC..EExtended strand (participates in β ladder)trans-151.9168.2173.262.393.2000113.1Q159 G161 L178 C192 S193 A195 L213 Q221 P224Q159-W205 VanDerWaalsContact O-CD1 3.29Å; Q159-W205 PolarHBondContact O-NE1 3.37Å; G161-W205 VanDerWaalsContact CA-CD1 3.46Å; L178-W205 HydrophobicContact CD1-CH2 4.08Å; L178-W205 HydrophobicContact CD1-CZ3 4.1Å; C192-W205 CarbonylContact C-O 3.46Å; C192-W205 VanDerWaalsContact CA-O 3.29Å; C192-W205 WeakPolarHBondContact CA-O 3.45Å; C192-W205 WeakPolarHBondContact CB-O 3.3Å; S193-W205 VanDerWaalsContact CB-CE2 3.42Å; S193-W205 VanDerWaalsContact CB-CZ2 3.49Å; S193-W205 PolarHBondContact N-O 3.19Å; S193-W205 PolarHBondContact O-N 3.47Å; A195-W205 HydrophobicContact CB-CH2 3.87Å; A195-W205 HydrophobicContact CB-CZ3 3.86Å; W205-L213 WeakPolarHBondContact O-CD2 3.35Å; W205-Q221 HydrophobicContact CB-CB 4.31Å; W205-P224 HydrophobicContact CD2-CB 4.2Å; W205-P224 HydrophobicContact CD2-CG 3.78Å; W205-P224 HydrophobicContact CE3-CB 3.6Å; W205-P224 HydrophobicContact CE3-CG 3.59Å; W205-P224 HydrophobicContact CG-CG 4.33Å; W205-P224 HydrophobicContact CH2-CG 4.48Å; W205-P224 HydrophobicContact CZ3-CB 4.05Å; W205-P224 HydrophobicContact CZ3-CG 3.97Å
206G98.3Very high97.4Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans100.3-144.7-175.800000113.5S157 N220 Q221S157-G206 CarbonylContact O-C 3.59Å; S157-G206 VanDerWaalsContact O-C 3.23Å; S157-G206 WeakPolarHBondContact O-CA 3.45Å; G206-N220 CarbonylContact O-C 3.56Å; G206-N220 VanDerWaalsContact O-CA 3.28Å; G206-N220 WeakPolarHBondContact O-CA 3.46Å; G206-N220 WeakPolarHBondContact O-CB 3.31Å; G206-Q221 WeakPolarHBondContact CA-O 3.47Å; G206-Q221 PolarHBondContact N-O 3.49Å; G206-Q221 PolarHBondContact O-N 3.43Å
207Y98.3Very high97.3Very high68 Ų6827.3 Ų27.327%0.26715%0.153SC..  trans-70.4134.5-175.9-173-105.1000112.3L191 C209 Q212 N220L191-Y207 HydrophobicContact CB-CG 4.21Å; L191-Y207 HydrophobicContact CD1-CG 4.43Å; L191-Y207 VanDerWaalsContact O-CB 3.3Å; L191-Y207 WeakPolarHBondContact O-CB 3.19Å; L191-Y207 PolarHBondContact O-N 3.08Å; Y207-C209 HydrophobicContact CE1-CB 3.83Å; Y207-C209 HydrophobicContact CE2-CB 3.98Å; Y207-C209 WeakPolarHBondContact CE2-SG 3.48Å; Y207-C209 VanDerWaalsContact CZ-CB 3.41Å; Y207-C209 VanDerWaalsContact OH-CB 3.23Å; Y207-C209 WeakPolarHBondContact OH-CB 3.01Å; Y207-C209 PolarHBondContact OH-SG 3.31Å; Y207-C209 VanDerWaalsContact OH-SG 3.41Å; Y207-Q212 VanDerWaalsContact CD1-NE2 3.31Å; Y207-Q212 WeakPolarHBondContact O-CG 3.07Å; Y207-N220 WeakPolarHBondContact CA-OD1 3.42Å
208N97.9Very high97.3Very high0 Ų031.9 Ų31.90%018%0.178CC..  trans-13813.3-173.7-164.932.2000114.8N210 G211 Q212 L213 N217 N218 G219 N220N208-N210 PolarHBondContact O-N 3.08Å; N208-G211 PolarHBondContact O-N 2.8Å; N208-G211 VanDerWaalsContact OD1-CA 3.24Å; N208-G211 WeakPolarHBondContact OD1-CA 3.42Å; N208-Q212 VanDerWaalsContact CA-OE1 3.31Å; N208-Q212 PolarHBondContact OD1-N 3.44Å; N208-L213 HydrophobicContact CB-CB 4.34Å; N208-L213 HydrophobicContact CB-CD1 3.63Å; N208-L213 HydrophobicContact CB-CG 3.67Å; N208-L213 WeakPolarHBondContact OD1-CB 3.37Å; N208-L213 WeakPolarHBondContact OD1-CG 3.46Å; N208-L213 PolarHBondContact OD1-N 3.41Å; N208-N217 PolarHBondContact ND2-O 3.33Å; N208-N217 PolarHBondContact ND2-OD1 3.32Å; N208-N218 CarbonylContact C-O 3.54Å; N208-N218 CarbonylContact O-C 3.19Å; N208-N218 WeakPolarHBondContact O-CA 3.23Å; N208-G219 WeakPolarHBondContact CB-O 3.14Å; N208-G219 PolarHBondContact ND2-O 3.22Å; N208-N220 PolarHBondContact N-OD1 2.87Å
209C97.3Very high97.3Very high58 Ų5828.9 Ų28.939%0.39217%0.17SC..THydrogen-bonded Turntrans-61.8-17.3-174.2-63.50000114.5Y207Y207-C209 HydrophobicContact CE1-CB 3.83Å; Y207-C209 HydrophobicContact CE2-CB 3.98Å; Y207-C209 WeakPolarHBondContact CE2-SG 3.48Å; Y207-C209 VanDerWaalsContact CZ-CB 3.41Å; Y207-C209 VanDerWaalsContact OH-CB 3.23Å; Y207-C209 WeakPolarHBondContact OH-CB 3.01Å; Y207-C209 PolarHBondContact OH-SG 3.31Å; Y207-C209 VanDerWaalsContact OH-SG 3.41Å
210N96.5Very high97.5Very high52 Ų5227.8 Ų27.828%0.27816%0.164SC..THydrogen-bonded Turntrans-104.47.1175.2-58.5-61.8000113.2N208 G258 A259N208-N210 PolarHBondContact O-N 3.08Å; N210-G258 CarbonylContact O-C 3.33Å; N210-G258 WeakPolarHBondContact O-CA 3.15Å; N210-A259 HydrophobicContact CB-CB 3.9Å
211G97.1Very high97.6Very high0 Ų030 Ų300%017%0.174CC..SBendtrans78.414.7-176.900000114.5N208 L213 G214 N218N208-G211 PolarHBondContact O-N 2.8Å; N208-G211 VanDerWaalsContact OD1-CA 3.24Å; N208-G211 WeakPolarHBondContact OD1-CA 3.42Å; G211-L213 PolarHBondContact O-N 3.19Å; G211-G214 PolarHBondContact O-N 3.07Å; G211-N218 PolarHBondContact N-OD1 2.9Å
212Q97.1Very high97.6Very high3 Ų332 Ų321%0.01418%0.184CC..THydrogen-bonded Turntrans-64.5-10.4-176.360.1-106.174.700115C192 M194 Y207 N208 A243 T245 W257C192-Q212 HydrophobicContact CB-CG 4.42Å; M194-Q212 VanDerWaalsContact CE-O 3.26Å; M194-Q212 WeakPolarHBondContact CE-O 3.41Å; Y207-Q212 VanDerWaalsContact CD1-NE2 3.31Å; Y207-Q212 WeakPolarHBondContact O-CG 3.07Å; N208-Q212 VanDerWaalsContact CA-OE1 3.31Å; N208-Q212 PolarHBondContact OD1-N 3.44Å; Q212-A243 WeakPolarHBondContact CB-O 3.26Å; Q212-T245 PolarHBondContact O-OG1 3.25Å; Q212-W257 VanDerWaalsContact O-CD1 3.27Å; Q212-W257 PolarHBondContact O-NE1 2.97Å
213L97.8Very high97.5Very high0 Ų034.2 Ų34.20%020%0.197CC..THydrogen-bonded Turntrans-87.6-10.9172-54.6-172.7000113.9C192 M194 W205 N208 G211 L215 Q221 I227C192-L213 HydrophobicContact CB-CD2 3.71Å; M194-L213 HydrophobicContact CE-CD2 3.5Å; M194-L213 VanDerWaalsContact CE-CD2 3.5Å; W205-L213 WeakPolarHBondContact O-CD2 3.35Å; N208-L213 HydrophobicContact CB-CB 4.34Å; N208-L213 HydrophobicContact CB-CD1 3.63Å; N208-L213 HydrophobicContact CB-CG 3.67Å; N208-L213 WeakPolarHBondContact OD1-CB 3.37Å; N208-L213 WeakPolarHBondContact OD1-CG 3.46Å; N208-L213 PolarHBondContact OD1-N 3.41Å; G211-L213 PolarHBondContact O-N 3.19Å; L213-L215 VanDerWaalsContact C-N 3.27Å; L213-L215 HydrophobicContact CB-CD1 3.88Å; L213-L215 HydrophobicContact CB-CG 3.83Å; L213-L215 HydrophobicContact CD1-CD1 4.07Å; L213-L215 PolarHBondContact O-N 3Å; L213-Q221 HydrophobicContact CD1-CB 3.83Å; L213-Q221 HydrophobicContact CD1-CG 3.5Å; L213-I227 VanDerWaalsContact O-CD1 3.29Å; L213-I227 WeakPolarHBondContact O-CD1 3.18Å; L213-I227 WeakPolarHBondContact O-CG1 3.18Å
214G97.6Very high97.5Very high1 Ų133.7 Ų33.71%0.0120%0.195CC..  trans72.916.7175.600000114.5G211 G216 I227 W257 A274 P276G211-G214 PolarHBondContact O-N 3.07Å; G214-G216 VanDerWaalsContact C-N 3.35Å; G214-G216 PolarHBondContact O-N 3.13Å; G214-I227 WeakPolarHBondContact O-CG2 3.48Å; G214-W257 VanDerWaalsContact CA-CD1 3.41Å; G214-A274 CarbonylContact C-O 3.42Å; G214-A274 WeakPolarHBondContact CA-O 3.4Å; G214-P276 WeakPolarHBondContact O-CD 3.44Å
215L97.6Very high97.5Very high32 Ų3235.6 Ų35.617%0.16821%0.208CC..SBendtrans-89.16.6-171.6-56.8176.2000114.4L213 N217 Q221 C225 I227 A274L213-L215 VanDerWaalsContact C-N 3.27Å; L213-L215 HydrophobicContact CB-CD1 3.88Å; L213-L215 HydrophobicContact CB-CG 3.83Å; L213-L215 HydrophobicContact CD1-CD1 4.07Å; L213-L215 PolarHBondContact O-N 3Å; L215-N217 PolarHBondContact O-N 3.21Å; L215-N217 PolarHBondContact O-ND2 3.33Å; L215-N217 VanDerWaalsContact O-ND2 3.11Å; L215-Q221 HydrophobicContact CD1-CG 3.42Å; L215-Q221 VanDerWaalsContact CD1-CG 3.42Å; L215-C225 HydrophobicContact CD1-CB 3.98Å; L215-C225 HydrophobicContact CD2-CB 4.2Å; L215-I227 HydrophobicContact CD2-CG1 4.32Å; L215-A274 PolarHBondContact N-O 3.3Å
216G96.9Very high97.4Very high42 Ų4239.4 Ų39.443%0.43322%0.223SC..SBendtrans70.714.8-176.400000114.6G214 A274 L275G214-G216 VanDerWaalsContact C-N 3.35Å; G214-G216 PolarHBondContact O-N 3.13Å; G216-A274 WeakPolarHBondContact CA-O 3.23Å; G216-A274 PolarHBondContact N-O 3.22Å; G216-L275 VanDerWaalsContact CA-CD2 3.5Å
217N96.3Very high97.4Very high68 Ų6839.6 Ų39.636%0.36422%0.223SC..SBendtrans-146.9174.6176.967.874.6000110.1N208 L215 G219N208-N217 PolarHBondContact ND2-O 3.33Å; N208-N217 PolarHBondContact ND2-OD1 3.32Å; L215-N217 PolarHBondContact O-N 3.21Å; L215-N217 PolarHBondContact O-ND2 3.33Å; L215-N217 VanDerWaalsContact O-ND2 3.11Å; N217-G219 PolarHBondContact OD1-N 2.86Å
218N97.1Very high97.3Very high97 Ų9739.4 Ų39.452%0.51924%0.236SC..  trans-11117.7-179-63.3-31.9000113.4N208 G211N208-N218 CarbonylContact C-O 3.54Å; N208-N218 CarbonylContact O-C 3.19Å; N208-N218 WeakPolarHBondContact O-CA 3.23Å; G211-N218 PolarHBondContact N-OD1 2.9Å
219G97.8Very high97.3Very high35 Ų3542.2 Ų42.236%0.36126%0.259SS..  trans-88.6131.4-177.900000112.4N208 N217 Q221N208-G219 WeakPolarHBondContact CB-O 3.14Å; N208-G219 PolarHBondContact ND2-O 3.22Å; N217-G219 PolarHBondContact OD1-N 2.86Å; G219-Q221 PolarHBondContact O-NE2 3.44Å
220N97.9Very high97.2Very high65 Ų6539.9 Ų39.935%0.34824%0.243SC..  trans-58.9149.3175.4-64.9-11.6000111.4G206 Y207 N208G206-N220 CarbonylContact O-C 3.56Å; G206-N220 VanDerWaalsContact O-CA 3.28Å; G206-N220 WeakPolarHBondContact O-CA 3.46Å; G206-N220 WeakPolarHBondContact O-CB 3.31Å; Y207-N220 WeakPolarHBondContact CA-OD1 3.42Å; N208-N220 PolarHBondContact N-OD1 2.87Å
221Q97.6Very high97.2Very high48 Ų4843.8 Ų43.822%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-120120.7178.3-59.4-59.1-4500110.4W205 G206 L213 L215 G219 T223 C225W205-Q221 HydrophobicContact CB-CB 4.31Å; G206-Q221 WeakPolarHBondContact CA-O 3.47Å; G206-Q221 PolarHBondContact N-O 3.49Å; G206-Q221 PolarHBondContact O-N 3.43Å; L213-Q221 HydrophobicContact CD1-CB 3.83Å; L213-Q221 HydrophobicContact CD1-CG 3.5Å; L215-Q221 HydrophobicContact CD1-CG 3.42Å; L215-Q221 VanDerWaalsContact CD1-CG 3.42Å; G219-Q221 PolarHBondContact O-NE2 3.44Å; Q221-T223 VanDerWaalsContact C-N 3.29Å; Q221-C225 HydrophobicContact CG-CB 4.28Å
222Q97.1Very high97Very high87 Ų8747.8 Ų47.841%0.40730%0.3SS..EExtended strand (participates in β ladder)trans-83.5-9.2179.3-61.7176.311.800113.4G161 S162 G163 T165G161-Q222 CarbonylContact C-O 3.59Å; G161-Q222 VanDerWaalsContact CA-O 3.26Å; G161-Q222 WeakPolarHBondContact CA-O 3.17Å; S162-Q222 PolarHBondContact N-O 3.18Å; G163-Q222 WeakPolarHBondContact CA-O 3.21Å; G163-Q222 PolarHBondContact N-O 3.5Å; G163-Q222 PolarHBondContact O-OE1 2.86Å; T165-Q222 HydrophobicContact CG2-CG 4.23Å
223T97.1Very high96.9Very high50 Ų5049.4 Ų49.431%0.30731%0.311SS..EExtended strand (participates in β ladder)trans-135.6148.4177.154.20000109.7Q221 C225Q221-T223 VanDerWaalsContact C-N 3.29Å; T223-C225 PolarHBondContact O-N 2.9Å
224P97.6Very high96.8Very high1 Ų152.2 Ų52.21%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-43.2123.9170-27.326000113.2V174 S176 C177 L178 Y203 W205V174-P224 HydrophobicContact CG1-CG 3.4Å; V174-P224 VanDerWaalsContact CG1-CG 3.4Å; S176-P224 VanDerWaalsContact OG-CD 3.32Å; S176-P224 WeakPolarHBondContact OG-CD 3.49Å; C177-P224 HydrophobicContact CB-CB 4.29Å; C177-P224 WeakPolarHBondContact CB-O 3.39Å; C177-P224 PolarHBondContact SG-O 2.58Å; L178-P224 HydrophobicContact CD1-CB 4.14Å; L178-P224 HydrophobicContact CD1-CG 3.81Å; L178-P224 HydrophobicContact CD2-CB 4.4Å; L178-P224 HydrophobicContact CG-CB 3.94Å; L178-P224 HydrophobicContact CG-CG 3.96Å; Y203-P224 HydrophobicContact CD1-CB 4.12Å; W205-P224 HydrophobicContact CD2-CB 4.2Å; W205-P224 HydrophobicContact CD2-CG 3.78Å; W205-P224 HydrophobicContact CE3-CB 3.6Å; W205-P224 HydrophobicContact CE3-CG 3.59Å; W205-P224 HydrophobicContact CG-CG 4.33Å; W205-P224 HydrophobicContact CH2-CG 4.48Å; W205-P224 HydrophobicContact CZ3-CB 4.05Å; W205-P224 HydrophobicContact CZ3-CG 3.97Å
225C97.3Very high96.8Very high41 Ų4152.3 Ų52.328%0.27733%0.326SS..EExtended strand (participates in β ladder)trans-120.4135.5176.8-169.30000109.8Y203 G204 L215 Q221 T223Y203-C225 CarbonylContact C-O 3.37Å; Y203-C225 VanDerWaalsContact CA-O 3.31Å; Y203-C225 WeakPolarHBondContact CA-O 3.31Å; G204-C225 PolarHBondContact N-O 2.85Å; G204-C225 PolarHBondContact O-N 3.18Å; L215-C225 HydrophobicContact CD1-CB 3.98Å; L215-C225 HydrophobicContact CD2-CB 4.2Å; Q221-C225 HydrophobicContact CG-CB 4.28Å; T223-C225 PolarHBondContact O-N 2.9Å
226R97.2Very high96.8Very high80 Ų8054.1 Ų54.130%0.30234%0.338SS..EExtended strand (participates in β ladder)trans-72.9134.6180-170-178.7178.8-143.96.1109.8E201 Y203 A228E201-R226 IonicContact OE1-CZ 3.78Å; E201-R226 IonicContact OE1-NE 3.1Å; E201-R226 PolarHBondContact OE1-NE 2.99Å; E201-R226 VanDerWaalsContact OE1-NE 3.1Å; E201-R226 IonicContact OE1-NH2 2.85Å; E201-R226 PolarHBondContact OE1-NH2 3.49Å; Y203-R226 HydrophobicContact CD1-CB 4.16Å; Y203-R226 HydrophobicContact CE1-CB 3.59Å; Y203-R226 HydrophobicContact CE1-CG 4.28Å; Y203-R226 HydrophobicContact CE2-CB 4.35Å; Y203-R226 HydrophobicContact CE2-CG 4.16Å; R226-A228 PolarHBondContact O-N 3.29Å
227I98Very high96.8Very high3 Ų353.9 Ų53.92%0.01533%0.326CS..  trans-82.185.5174.8-48.4-177.2000109I202 L213 G214 L215 A229 L230 W257 P276I202-I227 HydrophobicContact CB-CD1 4.49Å; I202-I227 HydrophobicContact CD1-CD1 4.1Å; I202-I227 HydrophobicContact CG1-CD1 4Å; I202-I227 HydrophobicContact CG2-CB 3.85Å; I202-I227 HydrophobicContact CG2-CD1 3.83Å; I202-I227 HydrophobicContact CG2-CG1 4.01Å; I202-I227 PolarHBondContact O-N 2.86Å; L213-I227 VanDerWaalsContact O-CD1 3.29Å; L213-I227 WeakPolarHBondContact O-CD1 3.18Å; L213-I227 WeakPolarHBondContact O-CG1 3.18Å; G214-I227 WeakPolarHBondContact O-CG2 3.48Å; L215-I227 HydrophobicContact CD2-CG1 4.32Å; I227-A229 PolarHBondContact O-N 3.15Å; I227-A229 VanDerWaalsContact O-N 3.1Å; I227-L230 HydrophobicContact CG2-CD1 4.28Å; I227-L230 HydrophobicContact CG2-CG 4.48Å; I227-L230 PolarHBondContact O-N 2.79Å; I227-L230 VanDerWaalsContact O-N 3.11Å; I227-W257 HydrophobicContact CD1-CH2 4.3Å; I227-W257 HydrophobicContact CD1-CZ2 3.57Å; I227-P276 HydrophobicContact CG2-CG 3.71Å
228A96.8Very high96.9Very high65 Ų6550.9 Ų50.954%0.53731%0.31SS..G310 helixtrans-60-23.7-173.700000114.3R226 L230 Q231R226-A228 PolarHBondContact O-N 3.29Å; A228-L230 PolarHBondContact O-N 3.27Å; A228-Q231 VanDerWaalsContact O-CB 3.25Å; A228-Q231 WeakPolarHBondContact O-CB 3.46Å; A228-Q231 PolarHBondContact O-N 3.45Å; A228-Q231 VanDerWaalsContact O-N 3.1Å
229A97.1Very high97Very high58 Ų5846.6 Ų46.648%0.47929%0.288SS..G310 helixtrans-63.9-19.8177.400000113.9I227 L275 P276I227-A229 PolarHBondContact O-N 3.15Å; I227-A229 VanDerWaalsContact O-N 3.1Å; A229-L275 HydrophobicContact CB-CD2 3.95Å; A229-P276 HydrophobicContact CB-CG 4.24Å
230L96.7Very high97Very high9 Ų945.1 Ų45.15%0.04727%0.272CS..G310 helixtrans-10318.9176.4-65.9169.6000112.1I202 I227 A228 G232 V233 I235 Y255 W257 P276I202-L230 HydrophobicContact CG2-CB 4.41Å; I202-L230 HydrophobicContact CG2-CD1 3.78Å; I227-L230 HydrophobicContact CG2-CD1 4.28Å; I227-L230 HydrophobicContact CG2-CG 4.48Å; I227-L230 PolarHBondContact O-N 2.79Å; I227-L230 VanDerWaalsContact O-N 3.11Å; A228-L230 PolarHBondContact O-N 3.27Å; L230-G232 PolarHBondContact O-N 2.99Å; L230-V233 HydrophobicContact CB-CB 4.46Å; L230-V233 HydrophobicContact CD2-CG2 4.47Å; L230-V233 WeakPolarHBondContact O-CB 3.47Å; L230-V233 PolarHBondContact O-N 2.77Å; L230-I235 HydrophobicContact CD1-CD1 4.38Å; L230-Y255 HydrophobicContact CD2-CD1 3.66Å; L230-Y255 HydrophobicContact CD2-CD2 4.09Å; L230-Y255 HydrophobicContact CD2-CE1 3.87Å; L230-Y255 HydrophobicContact CD2-CE2 4.3Å; L230-Y255 HydrophobicContact CD2-CG 3.76Å; L230-W257 HydrophobicContact CD1-CH2 3.88Å; L230-W257 HydrophobicContact CD1-CZ3 3.92Å; L230-P276 HydrophobicContact CD1-CB 4.03Å; L230-P276 HydrophobicContact CD1-CG 3.79Å; L230-P276 HydrophobicContact CD2-CB 3.81Å; L230-P276 HydrophobicContact CD2-CG 4.3Å; L230-P276 HydrophobicContact CG-CB 3.9Å; L230-P276 HydrophobicContact CG-CG 3.81Å
231Q94.9Very high96.9Very high134 Ų13442 Ų4263%0.62626%0.256SS*.THydrogen-bonded Turntrans-60.6127.9176.9178.1170.9-9.200111A228 V233A228-Q231 VanDerWaalsContact O-CB 3.25Å; A228-Q231 WeakPolarHBondContact O-CB 3.46Å; A228-Q231 PolarHBondContact O-N 3.45Å; A228-Q231 VanDerWaalsContact O-N 3.1Å; Q231-V233 VanDerWaalsContact C-N 3.28Å
232G92.7Very high96.9Very high84 Ų8444.4 Ų44.487%0.86626%0.263SS*.THydrogen-bonded Turntrans84.1-0.6-177.900000114.2L230L230-G232 PolarHBondContact O-N 2.99Å
233V95.7Very high96.9Very high38 Ų3840.5 Ų40.523%0.2325%0.246CC..  trans-98.5125.4171.4-175.30000108.2L230 Q231 I235 T249 Y255L230-V233 HydrophobicContact CB-CB 4.46Å; L230-V233 HydrophobicContact CD2-CG2 4.47Å; L230-V233 WeakPolarHBondContact O-CB 3.47Å; L230-V233 PolarHBondContact O-N 2.77Å; Q231-V233 VanDerWaalsContact C-N 3.28Å; V233-I235 HydrophobicContact CG1-CD1 3.81Å; V233-I235 PolarHBondContact O-N 2.98Å; V233-T249 HydrophobicContact CG1-CG2 3.3Å; V233-Y255 HydrophobicContact CG1-CE2 4.05Å
234N96.1Very high97Very high58 Ų5838.2 Ų38.231%0.3123%0.232SC..  trans-88.4103.5-179.3-178.721.5000110.2G200 T249 D250G200-N234 WeakPolarHBondContact CA-OD1 3.47Å; N234-T249 CarbonylContact O-C 3.59Å; N234-T249 VanDerWaalsContact O-CA 3.23Å; N234-T249 WeakPolarHBondContact O-CA 3.49Å; N234-D250 HydrophobicContact CB-CB 4.43Å; N234-D250 VanDerWaalsContact ND2-CG 3.27Å; N234-D250 PolarHBondContact ND2-OD2 3.33Å; N234-D250 PolarHBondContact O-N 3.24Å
235I98.1Very high97Very high3 Ų338.2 Ų38.22%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-84.1132.4179.3-53.8-54.1000109.8V196 G200 I202 L230 V233 A247 T249V196-I235 HydrophobicContact CG1-CB 4.11Å; V196-I235 HydrophobicContact CG1-CG2 4.12Å; V196-I235 WeakPolarHBondContact CG1-O 3.45Å; V196-I235 HydrophobicContact CG2-CB 4.49Å; V196-I235 HydrophobicContact CG2-CG2 3.8Å; G200-I235 WeakPolarHBondContact O-CB 3.48Å; G200-I235 PolarHBondContact O-N 2.78Å; G200-I235 VanDerWaalsContact O-N 3.13Å; I202-I235 HydrophobicContact CB-CG1 4.43Å; I202-I235 HydrophobicContact CG2-CG1 4.32Å; L230-I235 HydrophobicContact CD1-CD1 4.38Å; V233-I235 HydrophobicContact CG1-CD1 3.81Å; V233-I235 PolarHBondContact O-N 2.98Å; I235-A247 HydrophobicContact CD1-CB 4.14Å; I235-A247 HydrophobicContact CG2-CB 3.97Å; I235-T249 HydrophobicContact CD1-CG2 3.96Å
236V96.1Very high97.1Very high70 Ų7036.2 Ų36.242%0.42422%0.218SC..EExtended strand (participates in β ladder)trans-111.2-23.3179.5-62.90000113.5L248 D250V236-L248 HydrophobicContact CG2-CB 4.4Å; V236-L248 HydrophobicContact CG2-CD2 4.19Å; V236-L248 HydrophobicContact CG2-CG 4Å; V236-L248 WeakPolarHBondContact CG2-O 3.45Å; V236-L248 PolarHBondContact N-O 3.05Å; V236-D250 HydrophobicContact CG1-CB 3.66Å
237Q97.7Very high97.1Very high37 Ų3732.4 Ų32.417%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-147.2138179.2-170.9-1709.100109.7A247 L248 V289Q237-A247 WeakPolarHBondContact O-CA 3.3Å; Q237-L248 HydrophobicContact CB-CB 4.08Å; Q237-L248 HydrophobicContact CB-CD2 4.37Å; Q237-L248 PolarHBondContact N-O 3.11Å; Q237-L248 PolarHBondContact O-N 3.46Å; Q237-V289 HydrophobicContact CG-CG2 4.25Å; Q237-V289 PolarHBondContact NE2-O 3.47Å; Q237-V289 VanDerWaalsContact OE1-N 3.09Å
238V98.4Very high97.1Very high6 Ų632.5 Ų32.54%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-119.6139.1167.561.40000109.9N185 A187 M194 V196 I202 T245 L246N185-V238 VanDerWaalsContact OD1-CG1 3.22Å; N185-V238 WeakPolarHBondContact OD1-CG1 3.14Å; N185-V238 PolarHBondContact OD1-N 3.3Å; N185-V238 PolarHBondContact OD1-O 3.35Å; A187-V238 HydrophobicContact CB-CG1 3.83Å; A187-V238 HydrophobicContact CB-CG2 4.41Å; M194-V238 HydrophobicContact CB-CG1 4.05Å; M194-V238 HydrophobicContact CB-CG2 3.87Å; M194-V238 HydrophobicContact CG-CG2 4.05Å; V196-V238 HydrophobicContact CG2-CB 3.87Å; V196-V238 HydrophobicContact CG2-CG1 3.61Å; I202-V238 HydrophobicContact CD1-CB 4.18Å; I202-V238 HydrophobicContact CD1-CG2 3.92Å; V238-T245 HydrophobicContact CG2-CG2 3.6Å; V238-L246 WeakPolarHBondContact CA-O 3.38Å; V238-L246 WeakPolarHBondContact CG2-O 3.49Å
239A98.2Very high97.1Very high7 Ų729.6 Ų29.66%0.05818%0.18CC..EExtended strand (participates in β ladder)trans-131.2136.1172.400000109.6L246 V289 A291A239-L246 PolarHBondContact N-O 3.19Å; A239-L246 PolarHBondContact O-N 3.22Å; A239-V289 HydrophobicContact CB-CG2 4.23Å; A239-A291 HydrophobicContact CB-CB 3.94Å
240C98.1Very high97Very high4 Ų429.8 Ų29.83%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-115.8126.9-178.2-71.20000110.9A187 C188 G189 M194 A291 C292 H293A187-C240 HydrophobicContact CB-CB 4.27Å; C188-C240 VanDerWaalsContact O-CB 3.26Å; C188-C240 WeakPolarHBondContact O-CB 3.27Å; G189-C240 VanDerWaalsContact N-CB 3.28Å; M194-C240 WeakPolarHBondContact CG-SG 3.46Å; C240-A291 CarbonylContact O-C 3.52Å; C240-C292 CarbonylContact O-C 3.46Å; C240-C292 VanDerWaalsContact O-C 3.31Å; C240-C292 PolarHBondContact O-N 2.73Å; C240-H293 PolarHBondContact O-N 3.41Å
241G97.3Very high96.7Very high0 Ų035.4 Ų35.40%020%0.199CC..  trans-87.5-162.8167.800000112.1G189 A243 H244 C292G189-G241 WeakPolarHBondContact CA-O 3.24Å; G241-A243 PolarHBondContact O-N 3.15Å; G241-H244 VanDerWaalsContact CA-CE1 3.48Å; G241-H244 WeakPolarHBondContact CA-CE1 3.41Å; G241-H244 PolarHBondContact N-O 3.3Å; G241-C292 CarbonylContact C-O 3.6Å; G241-C292 VanDerWaalsContact CA-O 3.25Å; G241-C292 WeakPolarHBondContact CA-O 3.34Å
242Y96.6Very high96.5Very high98 Ų9829.1 Ų29.138%0.38417%0.17SC..SBendtrans-53.2-50.7179.8-174.8-87.1000113.7Q190 C292 H293 S295 H296Q190-Y242 HydrophobicContact CB-CD2 4.24Å; Q190-Y242 HydrophobicContact CB-CE2 4.36Å; Q190-Y242 HydrophobicContact CB-CG 4.46Å; Q190-Y242 WeakPolarHBondContact CB-O 3.42Å; Q190-Y242 HydrophobicContact CG-CD2 4.13Å; Q190-Y242 HydrophobicContact CG-CE2 3.85Å; Q190-Y242 PolarHBondContact N-O 2.83Å; Y242-C292 PolarHBondContact N-O 2.85Å; Y242-H293 VanDerWaalsContact CA-O 3.28Å; Y242-H293 WeakPolarHBondContact CA-O 3.36Å; Y242-S295 WeakPolarHBondContact CB-O 3.34Å; Y242-S295 PolarHBondContact N-O 3.49Å; Y242-H296 AromaticContact CD1-CE1 3.4Å; Y242-H296 VanDerWaalsContact CD1-CE1 3.4Å; Y242-H296 WeakPolarHBondContact CD1-CE1 3.44Å; Y242-H296 AromaticContact CG-CE1 3.54Å
243A97.4Very high96.6Very high5 Ų529.6 Ų29.64%0.04115%0.148CC..SBendtrans-14729.217900000112Q212 G241 A259Q212-A243 WeakPolarHBondContact CB-O 3.26Å; G241-A243 PolarHBondContact O-N 3.15Å; A243-A259 HydrophobicContact CB-CB 3.82Å; A243-A259 WeakPolarHBondContact O-CB 3.36Å; A243-A259 PolarHBondContact O-N 3.14Å
244H98.3Very high96.7Very high2 Ų228 Ų281%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-138.3160.7177.473.8-82.6000109.5G241 W257 Q264 L265 S298G241-H244 VanDerWaalsContact CA-CE1 3.48Å; G241-H244 WeakPolarHBondContact CA-CE1 3.41Å; G241-H244 PolarHBondContact N-O 3.3Å; H244-W257 CarbonylContact C-O 3.57Å; H244-W257 VanDerWaalsContact CA-O 3.3Å; H244-W257 WeakPolarHBondContact CA-O 3.32Å; H244-W257 WeakPolarHBondContact CB-O 3.31Å; H244-Q264 HydrophobicContact CB-CG 3.95Å; H244-L265 HydrophobicContact CB-CD2 3.88Å; H244-S298 PolarHBondContact NE2-OG 2.86Å
245T98.6Very high96.8Very high0 Ų027.4 Ų27.40%013%0.133CC..EExtended strand (participates in β ladder)trans-133.9138.8-177.1-53.50000109.1M194 Q212 V238 A256 W257M194-T245 HydrophobicContact CG-CG2 4.17Å; Q212-T245 PolarHBondContact O-OG1 3.25Å; V238-T245 HydrophobicContact CG2-CG2 3.6Å; T245-A256 VanDerWaalsContact O-CA 3.3Å; T245-A256 WeakPolarHBondContact O-CA 3.15Å; T245-W257 HydrophobicContact CG2-CH2 3.91Å; T245-W257 HydrophobicContact CG2-CZ2 3.34Å; T245-W257 PolarHBondContact N-O 2.79Å; T245-W257 PolarHBondContact O-N 2.98Å
246L98.6Very high96.8Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-114.8139.5171.7-54.8176.5000108.3V238 A239 Y255 A256 I279 V289 A291 W310V238-L246 WeakPolarHBondContact CA-O 3.38Å; V238-L246 WeakPolarHBondContact CG2-O 3.49Å; A239-L246 PolarHBondContact N-O 3.19Å; A239-L246 PolarHBondContact O-N 3.22Å; L246-Y255 CarbonylContact C-O 3.08Å; L246-Y255 WeakPolarHBondContact CA-O 3.27Å; L246-A256 HydrophobicContact CD2-CB 3.68Å; L246-I279 HydrophobicContact CD2-CD1 4.42Å; L246-V289 HydrophobicContact CB-CB 4.31Å; L246-V289 HydrophobicContact CB-CG2 4.34Å; L246-V289 HydrophobicContact CD1-CB 4.41Å; L246-A291 HydrophobicContact CD1-CB 4.15Å; L246-W310 HydrophobicContact CD1-CZ2 4.25Å; L246-W310 HydrophobicContact CD2-CZ2 4.22Å
247A98.4Very high96.9Very high0 Ų024 Ų240%011%0.112CC..EExtended strand (participates in β ladder)trans-132.3130.2172.600000110.4I202 I235 Q237 V254 Y255 W257I202-A247 HydrophobicContact CD1-CB 4.42Å; I235-A247 HydrophobicContact CD1-CB 4.14Å; I235-A247 HydrophobicContact CG2-CB 3.97Å; Q237-A247 WeakPolarHBondContact O-CA 3.3Å; A247-V254 WeakPolarHBondContact O-CA 3.34Å; A247-Y255 PolarHBondContact N-O 3.34Å; A247-Y255 PolarHBondContact O-N 3.23Å; A247-W257 HydrophobicContact CB-CH2 3.59Å; A247-W257 HydrophobicContact CB-CZ3 3.74Å
248L98Very high96.9Very high5 Ų522.2 Ų22.23%0.02610%0.104CC..EExtended strand (participates in β ladder)trans-100.2132.9177.2177.864.8000109.4V236 Q237 F253 V254 M286 V289V236-L248 HydrophobicContact CG2-CB 4.4Å; V236-L248 HydrophobicContact CG2-CD2 4.19Å; V236-L248 HydrophobicContact CG2-CG 4Å; V236-L248 WeakPolarHBondContact CG2-O 3.45Å; V236-L248 PolarHBondContact N-O 3.05Å; Q237-L248 HydrophobicContact CB-CB 4.08Å; Q237-L248 HydrophobicContact CB-CD2 4.37Å; Q237-L248 PolarHBondContact N-O 3.11Å; Q237-L248 PolarHBondContact O-N 3.46Å; L248-F253 WeakPolarHBondContact CA-O 3.49Å; L248-V254 HydrophobicContact CD1-CG2 3.89Å; L248-M286 HydrophobicContact CD1-CB 3.61Å; L248-V289 HydrophobicContact CB-CG1 4.1Å; L248-V289 HydrophobicContact CB-CG2 3.91Å; L248-V289 HydrophobicContact CD1-CG1 4.48Å
249T96.9Very high96.9Very high3 Ų322.2 Ų22.22%0.01810%0.104CC..EExtended strand (participates in β ladder)trans-90.6160.8175.476.40000112.1V233 N234 I235 E251 G252 F253 Y255V233-T249 HydrophobicContact CG1-CG2 3.3Å; N234-T249 CarbonylContact O-C 3.59Å; N234-T249 VanDerWaalsContact O-CA 3.23Å; N234-T249 WeakPolarHBondContact O-CA 3.49Å; I235-T249 HydrophobicContact CD1-CG2 3.96Å; T249-E251 PolarHBondContact O-N 3.4Å; T249-E251 PolarHBondContact OG1-N 3.05Å; T249-G252 WeakPolarHBondContact O-CA 3.3Å; T249-G252 PolarHBondContact O-N 2.79Å; T249-G252 PolarHBondContact OG1-N 3.35Å; T249-F253 HydrophobicContact CG2-CB 4.04Å; T249-F253 PolarHBondContact N-O 3.44Å; T249-F253 PolarHBondContact OG1-N 3.37Å; T249-Y255 HydrophobicContact CG2-CD2 3.86Å; T249-Y255 HydrophobicContact CG2-CE2 3.69Å
250D93.7Very high96.9Very high63 Ų6321.9 Ų21.934%0.33710%0.101SC..THydrogen-bonded Turntrans-63.8-17.1168.868.3-23.8000113.7N234 V236 G252 R285N234-D250 HydrophobicContact CB-CB 4.43Å; N234-D250 VanDerWaalsContact ND2-CG 3.27Å; N234-D250 PolarHBondContact ND2-OD2 3.33Å; N234-D250 PolarHBondContact O-N 3.24Å; V236-D250 HydrophobicContact CG1-CB 3.66Å; D250-G252 VanDerWaalsContact C-N 3.32Å; D250-R285 PolarHBondContact O-NH1 2.83Å; D250-R285 PolarHBondContact O-NH2 3.34Å
251E90.7Very high96.9Very high126 Ų12625.1 Ų25.159%0.58912%0.124SC*.THydrogen-bonded Turntrans-84.5-8.5170.5-66.2-174.1154.400112.4T249 F253 R285T249-E251 PolarHBondContact O-N 3.4Å; T249-E251 PolarHBondContact OG1-N 3.05Å; E251-F253 HydrophobicContact CB-CD2 3.64Å; E251-F253 HydrophobicContact CB-CE2 3.73Å; E251-F253 WeakPolarHBondContact OE2-CE2 3.26Å; E251-R285 VanDerWaalsContact CA-NH1 3.32Å; E251-R285 PolarHBondContact O-NH1 3.47Å
252G91.8Very high96.8Very high3 Ų329.3 Ų29.33%0.03114%0.141CC..SBendtrans80.823.1-179.800000114.2T249 D250 M286T249-G252 WeakPolarHBondContact O-CA 3.3Å; T249-G252 PolarHBondContact O-N 2.79Å; T249-G252 PolarHBondContact OG1-N 3.35Å; D250-G252 VanDerWaalsContact C-N 3.32Å; G252-M286 WeakPolarHBondContact CA-O 3.37Å; G252-M286 WeakPolarHBondContact O-CB 3.22Å; G252-M286 PolarHBondContact O-N 2.91Å
253F94.5Very high96.9Very high93 Ų9324.6 Ų24.641%0.40812%0.122SC..  trans-85.3149.1168.5-64.4-61.7000110.4L248 T249 E251 Y255 L278L248-F253 WeakPolarHBondContact CA-O 3.49Å; T249-F253 HydrophobicContact CG2-CB 4.04Å; T249-F253 PolarHBondContact N-O 3.44Å; T249-F253 PolarHBondContact OG1-N 3.37Å; E251-F253 HydrophobicContact CB-CD2 3.64Å; E251-F253 HydrophobicContact CB-CE2 3.73Å; E251-F253 WeakPolarHBondContact OE2-CE2 3.26Å; F253-Y255 HydrophobicContact CB-CE2 4.28Å; F253-L278 HydrophobicContact CB-CD1 3.79Å; F253-L278 HydrophobicContact CD1-CD1 4.21Å; F253-L278 HydrophobicContact CG-CD1 4.25Å
254V97.1Very high96.9Very high4 Ų424.4 Ų24.42%0.02412%0.121CC..EExtended strand (participates in β ladder)trans-117.1124.1177.6-178.50000109.9A247 L248 I279 M286 V289A247-V254 WeakPolarHBondContact O-CA 3.34Å; L248-V254 HydrophobicContact CD1-CG2 3.89Å; V254-I279 HydrophobicContact CB-CD1 4.21Å; V254-I279 HydrophobicContact CG1-CD1 3.58Å; V254-I279 HydrophobicContact CG1-CG1 4.23Å; V254-I279 PolarHBondContact O-N 3.36Å; V254-M286 HydrophobicContact CG2-CB 3.75Å; V254-M286 HydrophobicContact CG2-CG 3.6Å; V254-V289 HydrophobicContact CB-CG1 4.38Å; V254-V289 HydrophobicContact CG1-CG1 3.81Å; V254-V289 HydrophobicContact CG2-CG1 3.58Å
255Y98.1Very high96.8Very high47 Ų4724.3 Ų24.318%0.18412%0.12CC..EExtended strand (participates in β ladder)trans-102.5143171.1-70.5-97.6000109.9L230 V233 L246 A247 T249 F253 P276 I277 L278L230-Y255 HydrophobicContact CD2-CD1 3.66Å; L230-Y255 HydrophobicContact CD2-CD2 4.09Å; L230-Y255 HydrophobicContact CD2-CE1 3.87Å; L230-Y255 HydrophobicContact CD2-CE2 4.3Å; L230-Y255 HydrophobicContact CD2-CG 3.76Å; V233-Y255 HydrophobicContact CG1-CE2 4.05Å; L246-Y255 CarbonylContact C-O 3.08Å; L246-Y255 WeakPolarHBondContact CA-O 3.27Å; A247-Y255 PolarHBondContact N-O 3.34Å; A247-Y255 PolarHBondContact O-N 3.23Å; T249-Y255 HydrophobicContact CG2-CD2 3.86Å; T249-Y255 HydrophobicContact CG2-CE2 3.69Å; F253-Y255 HydrophobicContact CB-CE2 4.28Å; Y255-P276 HydrophobicContact CD1-CB 4.12Å; Y255-I277 CarbonylContact C-O 3.55Å; Y255-I277 VanDerWaalsContact CA-O 3.31Å; Y255-I277 WeakPolarHBondContact CA-O 3.4Å; Y255-L278 HydrophobicContact CD1-CB 4.34Å; Y255-L278 HydrophobicContact CD2-CD1 4.46Å; Y255-L278 HydrophobicContact CE1-CB 4.04Å; Y255-L278 HydrophobicContact CE1-CD1 4.43Å; Y255-L278 HydrophobicContact CE2-CD1 4.1Å
256A98.3Very high96.7Very high0 Ų024.5 Ų24.50%012%0.122CC..EExtended strand (participates in β ladder)trans-131.5148.8175.500000111.4T245 L246 L265 I277 I279T245-A256 VanDerWaalsContact O-CA 3.3Å; T245-A256 WeakPolarHBondContact O-CA 3.15Å; L246-A256 HydrophobicContact CD2-CB 3.68Å; A256-L265 HydrophobicContact CB-CB 4.08Å; A256-L265 HydrophobicContact CB-CD2 3.98Å; A256-I277 PolarHBondContact N-O 3.02Å; A256-I277 WeakPolarHBondContact O-CG2 3.33Å; A256-I277 PolarHBondContact O-N 3.46Å; A256-I279 HydrophobicContact CB-CD1 3.93Å; A256-I279 HydrophobicContact CB-CG1 3.97Å
257W98.6Very high96.6Very high0 Ų026.1 Ų26.10%013%0.132CC..EExtended strand (participates in β ladder)trans-157.7170171.258.593000112I202 Q212 G214 I227 L230 H244 T245 A247 L265 P276I202-W257 HydrophobicContact CD1-CH2 3.89Å; I202-W257 HydrophobicContact CD1-CZ2 4.05Å; Q212-W257 VanDerWaalsContact O-CD1 3.27Å; Q212-W257 PolarHBondContact O-NE1 2.97Å; G214-W257 VanDerWaalsContact CA-CD1 3.41Å; I227-W257 HydrophobicContact CD1-CH2 4.3Å; I227-W257 HydrophobicContact CD1-CZ2 3.57Å; L230-W257 HydrophobicContact CD1-CH2 3.88Å; L230-W257 HydrophobicContact CD1-CZ3 3.92Å; H244-W257 CarbonylContact C-O 3.57Å; H244-W257 VanDerWaalsContact CA-O 3.3Å; H244-W257 WeakPolarHBondContact CA-O 3.32Å; H244-W257 WeakPolarHBondContact CB-O 3.31Å; T245-W257 HydrophobicContact CG2-CH2 3.91Å; T245-W257 HydrophobicContact CG2-CZ2 3.34Å; T245-W257 PolarHBondContact N-O 2.79Å; T245-W257 PolarHBondContact O-N 2.98Å; A247-W257 HydrophobicContact CB-CH2 3.59Å; A247-W257 HydrophobicContact CB-CZ3 3.74Å; W257-L265 VanDerWaalsContact C-CD2 3.48Å; W257-L265 WeakPolarHBondContact O-CD2 3.39Å; W257-P276 HydrophobicContact CD2-CB 4.25Å; W257-P276 HydrophobicContact CD2-CG 3.91Å; W257-P276 HydrophobicContact CE3-CB 3.57Å; W257-P276 HydrophobicContact CE3-CG 3.65Å; W257-P276 HydrophobicContact CG-CG 4.42Å; W257-P276 HydrophobicContact CZ3-CB 3.95Å; W257-P276 HydrophobicContact CZ3-CG 4.01Å
258G98.4Very high96.4Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans104-147.7-179.200000113.7N210 N272 Q273N210-G258 CarbonylContact O-C 3.33Å; N210-G258 WeakPolarHBondContact O-CA 3.15Å; G258-N272 CarbonylContact O-C 3.38Å; G258-N272 VanDerWaalsContact O-CA 3.28Å; G258-N272 WeakPolarHBondContact O-CA 3.4Å; G258-N272 WeakPolarHBondContact O-CB 3.45Å; G258-Q273 WeakPolarHBondContact CA-O 3.46Å; G258-Q273 PolarHBondContact N-O 3.45Å; G258-Q273 PolarHBondContact O-N 2.61Å
259A98.1Very high96.3Very high6 Ų630.9 Ų30.95%0.0517%0.168CC..  trans-65.4141.6179.300000111.4N210 A243 Q264 N272N210-A259 HydrophobicContact CB-CB 3.9Å; A243-A259 HydrophobicContact CB-CB 3.82Å; A243-A259 WeakPolarHBondContact O-CB 3.36Å; A243-A259 PolarHBondContact O-N 3.14Å; A259-Q264 WeakPolarHBondContact O-CG 3.46Å; A259-Q264 PolarHBondContact O-NE2 3.13Å; A259-N272 WeakPolarHBondContact CA-OD1 3.34Å
260N97.9Very high96.3Very high0 Ų036.3 Ų36.30%019%0.191CC..  trans-137.317.3-177.4-160.424.1000114.2Y262 G263 Q264 L265 T267 N269 K270 S271 N272N260-Y262 PolarHBondContact O-N 3.34Å; N260-G263 PolarHBondContact O-N 2.91Å; N260-G263 WeakPolarHBondContact OD1-CA 3.44Å; N260-Q264 VanDerWaalsContact CA-CD 3.5Å; N260-Q264 VanDerWaalsContact CA-OE1 3.29Å; N260-Q264 PolarHBondContact OD1-N 2.83Å; N260-Q264 VanDerWaalsContact OD1-N 3.1Å; N260-L265 HydrophobicContact CB-CB 4.41Å; N260-L265 HydrophobicContact CB-CD1 3.64Å; N260-L265 HydrophobicContact CB-CG 3.67Å; N260-L265 VanDerWaalsContact CG-CG 3.48Å; N260-L265 WeakPolarHBondContact OD1-CB 3.35Å; N260-L265 WeakPolarHBondContact OD1-CG 3.45Å; N260-L265 PolarHBondContact OD1-N 3.13Å; N260-T267 PolarHBondContact ND2-OG1 2.87Å; N260-N269 PolarHBondContact ND2-O 3.37Å; N260-N269 PolarHBondContact ND2-OD1 3.44Å; N260-K270 CarbonylContact C-O 3.56Å; N260-K270 CarbonylContact O-C 3.38Å; N260-K270 WeakPolarHBondContact O-CA 3.44Å; N260-S271 VanDerWaalsContact CB-C 3.48Å; N260-S271 WeakPolarHBondContact CB-O 3.19Å; N260-S271 PolarHBondContact ND2-N 3.02Å; N260-S271 PolarHBondContact ND2-O 2.84Å; N260-N272 PolarHBondContact N-OD1 3.06Å
261S97.1Very high96.4Very high73 Ų7336.7 Ų36.751%0.5120%0.199SC..THydrogen-bonded Turntrans-56.2-24.4-175-50.80000114.6
262Y96.9Very high96.8Very high87 Ų8734 Ų3434%0.34119%0.188SC..THydrogen-bonded Turntrans-108.13.4177.9-59.5-75.5000113.5N260 H296 G311 Q312 A317N260-Y262 PolarHBondContact O-N 3.34Å; Y262-H296 HydrophobicContact CD2-CB 3.81Å; Y262-H296 AromaticContact CD2-CD2 3.9Å; Y262-H296 AromaticContact CD2-CG 3.66Å; Y262-H296 HydrophobicContact CE2-CB 4.5Å; Y262-H296 AromaticContact CE2-CD2 3.7Å; Y262-H296 AromaticContact CE2-CG 3.93Å; Y262-H296 AromaticContact CE2-NE2 3.9Å; Y262-H296 HydrophobicContact CG-CB 4.43Å; Y262-G311 CarbonylContact O-C 3.58Å; Y262-Q312 HydrophobicContact CD1-CB 4.2Å; Y262-Q312 HydrophobicContact CD1-CG 4.06Å; Y262-Q312 HydrophobicContact CD2-CB 4.44Å; Y262-Q312 HydrophobicContact CE1-CG 4.46Å; Y262-Q312 HydrophobicContact CG-CB 3.93Å; Y262-Q312 HydrophobicContact CG-CG 4.29Å; Y262-A317 WeakPolarHBondContact O-CA 3.45Å; Y262-A317 WeakPolarHBondContact O-CB 3.49Å
263G96.9Very high97Very high0 Ų036.4 Ų36.40%020%0.199CC..SBendtrans85.214.7-176.300000114.6N260 L265 G266N260-G263 PolarHBondContact O-N 2.91Å; N260-G263 WeakPolarHBondContact OD1-CA 3.44Å; G263-L265 PolarHBondContact O-N 3.47Å; G263-G266 PolarHBondContact O-N 3.24Å
264Q97.4Very high97.2Very high1 Ų133.3 Ų33.31%0.00519%0.191CC..THydrogen-bonded Turntrans-64.1-8.3-176.463.3-100.952.100114.9H244 A259 N260 H296 S298 W310 G311H244-Q264 HydrophobicContact CB-CG 3.95Å; A259-Q264 WeakPolarHBondContact O-CG 3.46Å; A259-Q264 PolarHBondContact O-NE2 3.13Å; N260-Q264 VanDerWaalsContact CA-CD 3.5Å; N260-Q264 VanDerWaalsContact CA-OE1 3.29Å; N260-Q264 PolarHBondContact OD1-N 2.83Å; N260-Q264 VanDerWaalsContact OD1-N 3.1Å; Q264-H296 WeakPolarHBondContact CB-O 3.07Å; Q264-S298 PolarHBondContact O-OG 3.35Å; Q264-W310 VanDerWaalsContact C-CD1 3.49Å; Q264-W310 VanDerWaalsContact O-CD1 3.3Å; Q264-W310 PolarHBondContact O-NE1 2.94Å; Q264-G311 VanDerWaalsContact CA-CA 3.48Å
265L97.7Very high97.2Very high0 Ų037.3 Ų37.30%021%0.211CC..THydrogen-bonded Turntrans-87.7-11.4171.5-54.2-173000113.2H244 A256 W257 N260 G263 T267 Q273H244-L265 HydrophobicContact CB-CD2 3.88Å; A256-L265 HydrophobicContact CB-CB 4.08Å; A256-L265 HydrophobicContact CB-CD2 3.98Å; W257-L265 VanDerWaalsContact C-CD2 3.48Å; W257-L265 WeakPolarHBondContact O-CD2 3.39Å; N260-L265 HydrophobicContact CB-CB 4.41Å; N260-L265 HydrophobicContact CB-CD1 3.64Å; N260-L265 HydrophobicContact CB-CG 3.67Å; N260-L265 VanDerWaalsContact CG-CG 3.48Å; N260-L265 WeakPolarHBondContact OD1-CB 3.35Å; N260-L265 WeakPolarHBondContact OD1-CG 3.45Å; N260-L265 PolarHBondContact OD1-N 3.13Å; G263-L265 PolarHBondContact O-N 3.47Å; L265-T267 VanDerWaalsContact C-N 3.26Å; L265-T267 HydrophobicContact CB-CG2 3.93Å; L265-T267 PolarHBondContact O-N 2.99Å; L265-Q273 HydrophobicContact CD1-CB 3.71Å; L265-Q273 HydrophobicContact CD1-CG 3.54Å
266G96.4Very high97.2Very high4 Ų436 Ų364%0.04121%0.209CC..  trans69.220.9177.400000114.4G263 W310 S319 P321G263-G266 PolarHBondContact O-N 3.24Å; G266-W310 VanDerWaalsContact CA-CD1 3.49Å; G266-W310 VanDerWaalsContact N-CD1 3.28Å; G266-S319 CarbonylContact C-O 3.58Å; G266-S319 WeakPolarHBondContact CA-O 3.46Å; G266-P321 VanDerWaalsContact O-CD 3.31Å; G266-P321 WeakPolarHBondContact O-CD 3.38Å
267T95.4Very high97.2Very high33 Ų3338.9 Ų38.920%0.20222%0.223CC..SBendtrans-928.3-172.456.10000114.3N260 L265 N269 I277 S319N260-T267 PolarHBondContact ND2-OG1 2.87Å; L265-T267 VanDerWaalsContact C-N 3.26Å; L265-T267 HydrophobicContact CB-CG2 3.93Å; L265-T267 PolarHBondContact O-N 2.99Å; T267-N269 PolarHBondContact O-N 3.37Å; T267-N269 PolarHBondContact O-ND2 3.4Å; T267-N269 PolarHBondContact OG1-ND2 3.06Å; T267-N269 PolarHBondContact OG1-OD1 2.73Å; T267-I277 HydrophobicContact CG2-CD1 4.15Å; T267-I277 HydrophobicContact CG2-CG1 4.49Å; T267-I277 HydrophobicContact CG2-CG2 3.65Å; T267-S319 PolarHBondContact N-O 3.04Å
268G95.3Very high97.1Very high44 Ų4442.7 Ų42.745%0.45424%0.243SC..SBendtrans74.43-174.700000114.6S319 S320G268-S319 VanDerWaalsContact CA-O 3.32Å; G268-S319 WeakPolarHBondContact CA-O 3.12Å; G268-S319 PolarHBondContact N-O 3.45Å; G268-S320 WeakPolarHBondContact CA-OG 3.41Å
269N95Very high96.8Very high61 Ų6143 Ų4333%0.32625%0.245SC..SBendtrans-136.7-176.6177.667.368.5000111.5N260 T267 S271N260-N269 PolarHBondContact ND2-O 3.37Å; N260-N269 PolarHBondContact ND2-OD1 3.44Å; T267-N269 PolarHBondContact O-N 3.37Å; T267-N269 PolarHBondContact O-ND2 3.4Å; T267-N269 PolarHBondContact OG1-ND2 3.06Å; T267-N269 PolarHBondContact OG1-OD1 2.73Å; N269-S271 WeakPolarHBondContact OD1-CB 3.34Å; N269-S271 PolarHBondContact OD1-N 3.23Å
270K96.5Very high96Very high117 Ų11750 Ų5051%0.50928%0.282SS..  trans-11919.7-178.2-62-178.4178.8-176.10113.7N260N260-K270 CarbonylContact C-O 3.56Å; N260-K270 CarbonylContact O-C 3.38Å; N260-K270 WeakPolarHBondContact O-CA 3.44Å
271S97.2Very high95Very high71 Ų7151.4 Ų51.450%0.49729%0.29SS..  trans-89.3129.9-177.9-61.30000110.7N260 N269N260-S271 VanDerWaalsContact CB-C 3.48Å; N260-S271 WeakPolarHBondContact CB-O 3.19Å; N260-S271 PolarHBondContact ND2-N 3.02Å; N260-S271 PolarHBondContact ND2-O 2.84Å; N269-S271 WeakPolarHBondContact OD1-CB 3.34Å; N269-S271 PolarHBondContact OD1-N 3.23Å
272N97.5Very high93.7Very high69 Ų6955.7 Ų55.737%0.36931%0.307SS..  trans-58.5147.6174.1-64.2-4.8000110.4G258 A259 N260G258-N272 CarbonylContact O-C 3.38Å; G258-N272 VanDerWaalsContact O-CA 3.28Å; G258-N272 WeakPolarHBondContact O-CA 3.4Å; G258-N272 WeakPolarHBondContact O-CB 3.45Å; A259-N272 WeakPolarHBondContact CA-OD1 3.34Å; N260-N272 PolarHBondContact N-OD1 3.06Å
273Q97.8Very high92.4Very high54 Ų5461.8 Ų61.825%0.25234%0.336SS..EExtended strand (participates in β ladder)trans-124.9116.7178.8-61.4-61.9-3000109.4G258 L265 L275 I277G258-Q273 WeakPolarHBondContact CA-O 3.46Å; G258-Q273 PolarHBondContact N-O 3.45Å; G258-Q273 PolarHBondContact O-N 2.61Å; L265-Q273 HydrophobicContact CD1-CB 3.71Å; L265-Q273 HydrophobicContact CD1-CG 3.54Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-I277 HydrophobicContact CB-CG2 4.4Å; Q273-I277 HydrophobicContact CG-CG2 4.02Å
274A97.4Very high91.7Very high29 Ų2964.3 Ų64.324%0.2435%0.347CS..EExtended strand (participates in β ladder)trans-82.2-8.5176.400000113.1G214 L215 G216G214-A274 CarbonylContact C-O 3.42Å; G214-A274 WeakPolarHBondContact CA-O 3.4Å; L215-A274 PolarHBondContact N-O 3.3Å; G216-A274 WeakPolarHBondContact CA-O 3.23Å; G216-A274 PolarHBondContact N-O 3.22Å
275L98Very high91.4Very high87 Ų8769.3 Ų69.346%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-120.2148.5174.6-71.4169.5000109.7G216 A229 Q273 I277G216-L275 VanDerWaalsContact CA-CD2 3.5Å; A229-L275 HydrophobicContact CB-CD2 3.95Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; L275-I277 PolarHBondContact O-N 3.39Å
276P98.1Very high91.2Very high20 Ų2069.6 Ų69.613%0.1337%0.367CS..EExtended strand (participates in β ladder)trans-52.3126.5169.1-26.936.3000111.8G214 I227 A229 L230 Y255 W257G214-P276 WeakPolarHBondContact O-CD 3.44Å; I227-P276 HydrophobicContact CG2-CG 3.71Å; A229-P276 HydrophobicContact CB-CG 4.24Å; L230-P276 HydrophobicContact CD1-CB 4.03Å; L230-P276 HydrophobicContact CD1-CG 3.79Å; L230-P276 HydrophobicContact CD2-CB 3.81Å; L230-P276 HydrophobicContact CD2-CG 4.3Å; L230-P276 HydrophobicContact CG-CB 3.9Å; L230-P276 HydrophobicContact CG-CG 3.81Å; Y255-P276 HydrophobicContact CD1-CB 4.12Å; W257-P276 HydrophobicContact CD2-CB 4.25Å; W257-P276 HydrophobicContact CD2-CG 3.91Å; W257-P276 HydrophobicContact CE3-CB 3.57Å; W257-P276 HydrophobicContact CE3-CG 3.65Å; W257-P276 HydrophobicContact CG-CG 4.42Å; W257-P276 HydrophobicContact CZ3-CB 3.95Å; W257-P276 HydrophobicContact CZ3-CG 4.01Å
277I97.4Very high91.1Very high60 Ų6072.8 Ų72.831%0.30839%0.386SS..EExtended strand (participates in β ladder)trans-119138.1172.5-174.1166.3000109.5Y255 A256 T267 Q273 L275Y255-I277 CarbonylContact C-O 3.55Å; Y255-I277 VanDerWaalsContact CA-O 3.31Å; Y255-I277 WeakPolarHBondContact CA-O 3.4Å; A256-I277 PolarHBondContact N-O 3.02Å; A256-I277 WeakPolarHBondContact O-CG2 3.33Å; A256-I277 PolarHBondContact O-N 3.46Å; T267-I277 HydrophobicContact CG2-CD1 4.15Å; T267-I277 HydrophobicContact CG2-CG1 4.49Å; T267-I277 HydrophobicContact CG2-CG2 3.65Å; Q273-I277 HydrophobicContact CB-CG2 4.4Å; Q273-I277 HydrophobicContact CG-CG2 4.02Å; L275-I277 PolarHBondContact O-N 3.39Å
278L95.8Very high91.1Very high81 Ų8173.4 Ų73.442%0.42439%0.387SS..EExtended strand (participates in β ladder)trans-70127.8175.3-179.166.4000109.8F253 Y255F253-L278 HydrophobicContact CB-CD1 3.79Å; F253-L278 HydrophobicContact CD1-CD1 4.21Å; F253-L278 HydrophobicContact CG-CD1 4.25Å; Y255-L278 HydrophobicContact CD1-CB 4.34Å; Y255-L278 HydrophobicContact CD2-CD1 4.46Å; Y255-L278 HydrophobicContact CE1-CB 4.04Å; Y255-L278 HydrophobicContact CE1-CD1 4.43Å; Y255-L278 HydrophobicContact CE2-CD1 4.1Å
279I93.7Very high91.2Very high5 Ų571.3 Ų71.33%0.02637%0.365CS..  trans-74.9127.6172.4-53.6-175.4000108.3L246 V254 A256 T281 W310 P321L246-I279 HydrophobicContact CD2-CD1 4.42Å; V254-I279 HydrophobicContact CB-CD1 4.21Å; V254-I279 HydrophobicContact CG1-CD1 3.58Å; V254-I279 HydrophobicContact CG1-CG1 4.23Å; V254-I279 PolarHBondContact O-N 3.36Å; A256-I279 HydrophobicContact CB-CD1 3.93Å; A256-I279 HydrophobicContact CB-CG1 3.97Å; I279-T281 HydrophobicContact CB-CG2 4.5Å; I279-T281 HydrophobicContact CG2-CG2 3.94Å; I279-T281 PolarHBondContact O-N 3.31Å; I279-W310 HydrophobicContact CD1-CH2 4.23Å; I279-W310 HydrophobicContact CD1-CZ2 3.55Å; I279-P321 HydrophobicContact CG2-CG 3.57Å
280N80.9Confident91.4Very high154 Ų15468.4 Ų68.482%0.82435%0.35SS*.  trans-79.3103.9176.2-16628.1000109.5
281T76.4Confident91.4Very high29 Ų2963.2 Ų63.218%0.17833%0.328CS..  trans-113.5162.1175.260.20000109.6I279 K283 M286 P321I279-T281 HydrophobicContact CB-CG2 4.5Å; I279-T281 HydrophobicContact CG2-CG2 3.94Å; I279-T281 PolarHBondContact O-N 3.31Å; T281-K283 PolarHBondContact O-N 3.07Å; T281-M286 HydrophobicContact CG2-CE 3.58Å; T281-P321 HydrophobicContact CG2-CG 4.37Å
282D69.1Low91.4Very high164 Ų16460 Ų6088%0.87731%0.306SS*.SBendtrans-70.360.2-176.7-70.1-36.7000112.9E284D282-E284 PolarHBondContact O-N 3.11Å
283K69.5Low91.3Very high214 Ų21457.2 Ų57.293%0.9329%0.291SS*.SBendtrans475.5177.2-65-172.1179.1-178.30117.2T281T281-K283 PolarHBondContact O-N 3.07Å
284E83.4Confident91.1Very high53 Ų5356 Ų5625%0.24829%0.287CS..PPolyproline II helixtrans-84.4138.4179.3-159.9-176.1166.300110D282 M286 T302 S304D282-E284 PolarHBondContact O-N 3.11Å; E284-M286 PolarHBondContact O-N 3.13Å; E284-T302 HydrophobicContact CB-CG2 4.36Å; E284-T302 VanDerWaalsContact CD-OG1 3.27Å; E284-T302 HydrophobicContact CG-CG2 4.34Å; E284-T302 VanDerWaalsContact OE1-CB 3.23Å; E284-T302 WeakPolarHBondContact OE1-CB 3.49Å; E284-T302 PolarHBondContact OE1-OG1 3.46Å; E284-T302 WeakPolarHBondContact OE2-CB 3.33Å; E284-T302 WeakPolarHBondContact OE2-CG2 3.46Å; E284-T302 PolarHBondContact OE2-OG1 2.74Å; E284-S304 VanDerWaalsContact CD-OG 3.31Å; E284-S304 WeakPolarHBondContact OE1-CB 3.18Å; E284-S304 PolarHBondContact OE1-N 3.25Å; E284-S304 PolarHBondContact OE1-OG 3.37Å; E284-S304 PolarHBondContact OE2-OG 3.33Å
285R90.6Very high90.9Very high107 Ų10754.7 Ų54.740%0.40428%0.276SS..PPolyproline II helixtrans-66.4124.3179.5-171.4-175.6168.391.1-3.8110.4D250 E251 T302 Q303D250-R285 PolarHBondContact O-NH1 2.83Å; D250-R285 PolarHBondContact O-NH2 3.34Å; E251-R285 VanDerWaalsContact CA-NH1 3.32Å; E251-R285 PolarHBondContact O-NH1 3.47Å; R285-T302 CarbonylContact O-C 3.55Å; R285-T302 WeakPolarHBondContact O-CA 3.41Å; R285-Q303 HydrophobicContact CB-CB 4.4Å; R285-Q303 PolarHBondContact O-N 3.13Å
286M94.3Very high90.9Very high5 Ų552.1 Ų52.13%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-79.8143.7169.4-61.5-61.417000110.5L248 G252 V254 T281 E284 A300 K301 T302 L308L248-M286 HydrophobicContact CD1-CB 3.61Å; G252-M286 WeakPolarHBondContact CA-O 3.37Å; G252-M286 WeakPolarHBondContact O-CB 3.22Å; G252-M286 PolarHBondContact O-N 2.91Å; V254-M286 HydrophobicContact CG2-CB 3.75Å; V254-M286 HydrophobicContact CG2-CG 3.6Å; T281-M286 HydrophobicContact CG2-CE 3.58Å; E284-M286 PolarHBondContact O-N 3.13Å; M286-A300 HydrophobicContact SD-CB 3.94Å; M286-K301 WeakPolarHBondContact CA-O 3.43Å; M286-T302 HydrophobicContact CE-CG2 3.84Å; M286-T302 HydrophobicContact SD-CG2 3.64Å; M286-L308 HydrophobicContact CE-CD1 3.22Å; M286-L308 HydrophobicContact SD-CD1 4.14Å
287V94.3Very high90.9Very high71 Ų7151.1 Ų51.143%0.4326%0.255SS..EExtended strand (participates in β ladder)trans-118.3-13.5178.3-62.40000112.8K301 Q303V287-K301 HydrophobicContact CG2-CB 4.29Å; V287-K301 HydrophobicContact CG2-CG 4.32Å; V287-K301 WeakPolarHBondContact CG2-O 3.2Å; V287-K301 PolarHBondContact N-O 3.13Å; V287-Q303 HydrophobicContact CG1-CB 3.87Å; V287-Q303 HydrophobicContact CG1-CG 4.32Å
288E95.4Very high90.9Very high47 Ų4748.3 Ų48.322%0.2224%0.241CC..EExtended strand (participates in β ladder)trans-154.1141.3-179.2-171.4-177.694.500110.5A300 K301 T329 W343E288-A300 CarbonylContact O-C 3.41Å; E288-A300 WeakPolarHBondContact O-CA 3.3Å; E288-A300 WeakPolarHBondContact O-CB 3.45Å; E288-K301 HydrophobicContact CB-CB 4.03Å; E288-K301 PolarHBondContact N-O 3.17Å; E288-K301 PolarHBondContact O-N 3.11Å; E288-T329 WeakPolarHBondContact OE1-CB 3.48Å; E288-T329 WeakPolarHBondContact OE1-CG2 3.48Å; E288-T329 PolarHBondContact OE1-OG1 3.28Å; E288-W343 HydrophobicContact CG-CH2 4.05Å; E288-W343 HydrophobicContact CG-CZ2 4.26Å
289V97.8Very high91Very high0 Ų044.4 Ų44.40%022%0.22CC..EExtended strand (participates in β ladder)trans-124.6143.7167.3-66.10000110.4Q237 A239 L246 L248 V254 A300Q237-V289 HydrophobicContact CG-CG2 4.25Å; Q237-V289 PolarHBondContact NE2-O 3.47Å; Q237-V289 VanDerWaalsContact OE1-N 3.09Å; A239-V289 HydrophobicContact CB-CG2 4.23Å; L246-V289 HydrophobicContact CB-CB 4.31Å; L246-V289 HydrophobicContact CB-CG2 4.34Å; L246-V289 HydrophobicContact CD1-CB 4.41Å; L248-V289 HydrophobicContact CB-CG1 4.1Å; L248-V289 HydrophobicContact CB-CG2 3.91Å; L248-V289 HydrophobicContact CD1-CG1 4.48Å; V254-V289 HydrophobicContact CB-CG1 4.38Å; V254-V289 HydrophobicContact CG1-CG1 3.81Å; V254-V289 HydrophobicContact CG2-CG1 3.58Å; V289-A300 HydrophobicContact CG1-CB 4.26Å
290A97.9Very high91.2Very high0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-136.3131-174.500000111.3A299 T329 F333 W343A290-A299 HydrophobicContact CB-CB 4.27Å; A290-A299 PolarHBondContact N-O 3.34Å; A290-A299 PolarHBondContact O-N 3.09Å; A290-T329 HydrophobicContact CB-CG2 4.24Å; A290-F333 HydrophobicContact CB-CE2 3.68Å; A290-F333 HydrophobicContact CB-CZ 4.37Å; A290-W343 HydrophobicContact CB-CD2 3.48Å; A290-W343 VanDerWaalsContact CB-CD2 3.48Å; A290-W343 HydrophobicContact CB-CE3 3.98Å; A290-W343 HydrophobicContact CB-CG 3.94Å; A290-W343 HydrophobicContact CB-CH2 4.14Å; A290-W343 HydrophobicContact CB-CZ2 3.66Å; A290-W343 HydrophobicContact CB-CZ3 4.29Å
291A97.8Very high91.8Very high7 Ų739.5 Ų39.56%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-153.2149.9175.600000109.1A239 C240 L246A239-A291 HydrophobicContact CB-CB 3.94Å; C240-A291 CarbonylContact O-C 3.52Å; L246-A291 HydrophobicContact CD1-CB 4.15Å
292C96.3Very high92.6Very high5 Ų538.2 Ų38.23%0.03418%0.184CC..  trans-127.4136.6179178.60000110.9C240 G241 Y242 T294 S295 F333 W343C240-C292 CarbonylContact O-C 3.46Å; C240-C292 VanDerWaalsContact O-C 3.31Å; C240-C292 PolarHBondContact O-N 2.73Å; G241-C292 CarbonylContact C-O 3.6Å; G241-C292 VanDerWaalsContact CA-O 3.25Å; G241-C292 WeakPolarHBondContact CA-O 3.34Å; Y242-C292 PolarHBondContact N-O 2.85Å; C292-T294 PolarHBondContact O-N 3.44Å; C292-T294 PolarHBondContact SG-OG1 3.21Å; C292-S295 PolarHBondContact O-N 3.4Å; C292-F333 HydrophobicContact CB-CD1 4.35Å; C292-F333 HydrophobicContact CB-CE1 3.85Å; C292-W343 HydrophobicContact CB-CB 4.1Å
293H94.8Very high93.6Very high10 Ų1037 Ų375%0.04617%0.173CC..THydrogen-bonded Turntrans-57.9-15.8-177.775.2-84.4000115.1Y81 C135 C188 C240 Y242Y81-H293 AromaticContact CD2-CE1 3.87Å; Y81-H293 AromaticContact CE2-CE1 3.73Å; Y81-H293 PolarHBondContact O-CE1 3.07Å; C135-H293 PolarHBondContact O-ND1 2.83Å; C188-H293 WeakPolarHBondContact O-CB 3.27Å; C240-H293 PolarHBondContact O-N 3.41Å; Y242-H293 VanDerWaalsContact CA-O 3.28Å; Y242-H293 WeakPolarHBondContact CA-O 3.36Å
294T93.6Very high94.3Very high29 Ų2930.4 Ų30.418%0.17815%0.154CC..THydrogen-bonded Turntrans-94-8.3175.758.60000113.8C292 V341C292-T294 PolarHBondContact O-N 3.44Å; C292-T294 PolarHBondContact SG-OG1 3.21Å; T294-V341 WeakPolarHBondContact OG1-CG2 3.3Å
295S94.9Very high94.5Very high0 Ų029.3 Ų29.30%016%0.157CC..  trans-125.7155.3-168.8-176.30000113.1Y242 C292 T297Y242-S295 WeakPolarHBondContact CB-O 3.34Å; Y242-S295 PolarHBondContact N-O 3.49Å; C292-S295 PolarHBondContact O-N 3.4Å; S295-T297 WeakPolarHBondContact OG-CB 3.37Å; S295-T297 PolarHBondContact OG-N 3.04Å; S295-T297 PolarHBondContact OG-OG1 3.03Å
296H96.8Very high94.5Very high33 Ų3328.3 Ų28.315%0.15316%0.157CC..SBendtrans-101.111.5169.8-55.8-75.4000112.2Y242 Y262 Q264 G311 Q312Y242-H296 AromaticContact CD1-CE1 3.4Å; Y242-H296 VanDerWaalsContact CD1-CE1 3.4Å; Y242-H296 WeakPolarHBondContact CD1-CE1 3.44Å; Y242-H296 AromaticContact CG-CE1 3.54Å; Y262-H296 HydrophobicContact CD2-CB 3.81Å; Y262-H296 AromaticContact CD2-CD2 3.9Å; Y262-H296 AromaticContact CD2-CG 3.66Å; Y262-H296 HydrophobicContact CE2-CB 4.5Å; Y262-H296 AromaticContact CE2-CD2 3.7Å; Y262-H296 AromaticContact CE2-CG 3.93Å; Y262-H296 AromaticContact CE2-NE2 3.9Å; Y262-H296 HydrophobicContact CG-CB 4.43Å; Q264-H296 WeakPolarHBondContact CB-O 3.07Å; H296-G311 WeakPolarHBondContact O-CA 3.49Å; H296-Q312 HydrophobicContact CB-CB 3.78Å; H296-Q312 PolarHBondContact CD2-OE1 3.02Å; H296-Q312 VanDerWaalsContact CD2-OE1 3.29Å; H296-Q312 PolarHBondContact O-N 3.5Å
297T97.7Very high94.5Very high0 Ų028.1 Ų28.10%016%0.156CC..EExtended strand (participates in β ladder)trans-86.3142.4174.1-43.20000110.2S295 Q312 V332 A337S295-T297 WeakPolarHBondContact OG-CB 3.37Å; S295-T297 PolarHBondContact OG-N 3.04Å; S295-T297 PolarHBondContact OG-OG1 3.03Å; T297-Q312 PolarHBondContact OG1-O 3.36Å; T297-V332 HydrophobicContact CG2-CG1 3.97Å; T297-A337 WeakPolarHBondContact OG1-CA 3.48Å
298S98.1Very high94.6Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-126.4142.9173.4-55.50000108.6H244 Q264 M309 W310H244-S298 PolarHBondContact NE2-OG 2.86Å; Q264-S298 PolarHBondContact O-OG 3.35Å; S298-M309 WeakPolarHBondContact O-CA 3.3Å; S298-W310 PolarHBondContact N-O 3.43Å; S298-W310 PolarHBondContact O-N 2.94Å; S298-W310 PolarHBondContact OG-NE1 2.93Å
299A98Very high94.7Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-137.7157173.700000111A290 L308 T329 V332 F333A290-A299 HydrophobicContact CB-CB 4.27Å; A290-A299 PolarHBondContact N-O 3.34Å; A290-A299 PolarHBondContact O-N 3.09Å; A299-L308 WeakPolarHBondContact CA-O 3.1Å; A299-L308 WeakPolarHBondContact CB-O 3.47Å; A299-T329 HydrophobicContact CB-CG2 4.02Å; A299-V332 HydrophobicContact CB-CB 4.13Å; A299-V332 HydrophobicContact CB-CG1 4.1Å; A299-V332 HydrophobicContact CB-CG2 4.14Å; A299-F333 HydrophobicContact CB-CE2 4.15Å
300A97.3Very high94.7Very high1 Ų124.1 Ų24.11%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-145.6155.117100000110.7M286 E288 V289 L308 W310M286-A300 HydrophobicContact SD-CB 3.94Å; E288-A300 CarbonylContact O-C 3.41Å; E288-A300 WeakPolarHBondContact O-CA 3.3Å; E288-A300 WeakPolarHBondContact O-CB 3.45Å; V289-A300 HydrophobicContact CG1-CB 4.26Å; A300-L308 PolarHBondContact N-O 3.25Å; A300-L308 PolarHBondContact O-N 2.69Å; A300-W310 HydrophobicContact CB-CH2 3.71Å; A300-W310 HydrophobicContact CB-CZ3 3.91Å
301K94.9Very high94.7Very high54 Ų5424.1 Ų24.124%0.23513%0.133CC..EExtended strand (participates in β ladder)trans-118.7135.3175.3-168.5175.5178.2171.60110.2M286 V287 E288 Q306 V307 S327 T329M286-K301 WeakPolarHBondContact CA-O 3.43Å; V287-K301 HydrophobicContact CG2-CB 4.29Å; V287-K301 HydrophobicContact CG2-CG 4.32Å; V287-K301 WeakPolarHBondContact CG2-O 3.2Å; V287-K301 PolarHBondContact N-O 3.13Å; E288-K301 HydrophobicContact CB-CB 4.03Å; E288-K301 PolarHBondContact N-O 3.17Å; E288-K301 PolarHBondContact O-N 3.11Å; K301-Q306 CarbonylContact C-O 3.51Å; K301-Q306 WeakPolarHBondContact CA-O 3.24Å; K301-V307 HydrophobicContact CG-CG2 4.21Å; K301-S327 PolarHBondContact NZ-O 3.04Å; K301-S327 VanDerWaalsContact NZ-O 3.11Å; K301-T329 HydrophobicContact CB-CG2 4.16Å
302T92.3Very high94.7Very high3 Ų325.3 Ų25.32%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-87.4164.5175.473.30000111.7E284 R285 M286 S304 G305 Q306 L308E284-T302 HydrophobicContact CB-CG2 4.36Å; E284-T302 VanDerWaalsContact CD-OG1 3.27Å; E284-T302 HydrophobicContact CG-CG2 4.34Å; E284-T302 VanDerWaalsContact OE1-CB 3.23Å; E284-T302 WeakPolarHBondContact OE1-CB 3.49Å; E284-T302 PolarHBondContact OE1-OG1 3.46Å; E284-T302 WeakPolarHBondContact OE2-CB 3.33Å; E284-T302 WeakPolarHBondContact OE2-CG2 3.46Å; E284-T302 PolarHBondContact OE2-OG1 2.74Å; R285-T302 CarbonylContact O-C 3.55Å; R285-T302 WeakPolarHBondContact O-CA 3.41Å; M286-T302 HydrophobicContact CE-CG2 3.84Å; M286-T302 HydrophobicContact SD-CG2 3.64Å; T302-S304 VanDerWaalsContact C-N 3.26Å; T302-S304 PolarHBondContact O-N 2.85Å; T302-S304 PolarHBondContact OG1-OG 3.18Å; T302-G305 PolarHBondContact O-N 3.08Å; T302-Q306 HydrophobicContact CG2-CB 4.16Å; T302-Q306 PolarHBondContact N-O 2.86Å; T302-Q306 WeakPolarHBondContact OG1-CB 3.49Å; T302-Q306 PolarHBondContact OG1-N 3.42Å; T302-Q306 VanDerWaalsContact OG1-N 3.11Å; T302-L308 HydrophobicContact CG2-CD1 4.21Å
303Q89.4Confident94.6Very high137 Ų13725.3 Ų25.364%0.6414%0.137SC*.THydrogen-bonded Turntrans-61.2-30.7176.1-172.3177.92.600113.4R285 V287 G305R285-Q303 HydrophobicContact CB-CB 4.4Å; R285-Q303 PolarHBondContact O-N 3.13Å; V287-Q303 HydrophobicContact CG1-CB 3.87Å; V287-Q303 HydrophobicContact CG1-CG 4.32Å; Q303-G305 PolarHBondContact O-N 3.07Å
304S85.4Confident94.4Very high77 Ų7733.4 Ų33.454%0.53817%0.167SC..THydrogen-bonded Turntrans-75.8-2.7173.166.60000113.9E284 T302E284-S304 VanDerWaalsContact CD-OG 3.31Å; E284-S304 WeakPolarHBondContact OE1-CB 3.18Å; E284-S304 PolarHBondContact OE1-N 3.25Å; E284-S304 PolarHBondContact OE1-OG 3.37Å; E284-S304 PolarHBondContact OE2-OG 3.33Å; T302-S304 VanDerWaalsContact C-N 3.26Å; T302-S304 PolarHBondContact O-N 2.85Å; T302-S304 PolarHBondContact OG1-OG 3.18Å
305G86.7Confident94.2Very high30 Ų3034.3 Ų34.331%0.30918%0.183SC..SBendtrans88.110.2179.900000114.3T302 Q303T302-G305 PolarHBondContact O-N 3.08Å; Q303-G305 PolarHBondContact O-N 3.07Å
306Q90.9Very high94.2Very high86 Ų8640.9 Ų40.940%0.40221%0.213SC..  trans-71.7139.2172.2-63.8-178.7-3.100110.6K301 T302 L323K301-Q306 CarbonylContact C-O 3.51Å; K301-Q306 WeakPolarHBondContact CA-O 3.24Å; T302-Q306 HydrophobicContact CG2-CB 4.16Å; T302-Q306 PolarHBondContact N-O 2.86Å; T302-Q306 WeakPolarHBondContact OG1-CB 3.49Å; T302-Q306 PolarHBondContact OG1-N 3.42Å; T302-Q306 VanDerWaalsContact OG1-N 3.11Å; Q306-L323 HydrophobicContact CB-CD1 3.71Å; Q306-L323 HydrophobicContact CG-CD1 4.11Å
307V95.1Very high94.1Very high0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-111.2125.5179.3177.50000109.8K301 T324 F326 T329 V332K301-V307 HydrophobicContact CG-CG2 4.21Å; V307-T324 WeakPolarHBondContact CB-OG1 3.45Å; V307-T324 WeakPolarHBondContact O-CB 3.37Å; V307-T324 PolarHBondContact O-N 2.67Å; V307-T324 PolarHBondContact O-OG1 3.41Å; V307-F326 HydrophobicContact CB-CB 4.29Å; V307-F326 HydrophobicContact CG1-CB 4.33Å; V307-F326 WeakPolarHBondContact CG2-O 3.35Å; V307-T329 HydrophobicContact CG1-CG2 4.45Å; V307-V332 HydrophobicContact CG1-CG2 3.54Å
308L96.5Very high94.1Very high19 Ų1942.8 Ų42.810%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-107.2145.4177.8-65.6157.8000110M286 A299 A300 T302 W310 P321 H322 L323M286-L308 HydrophobicContact CE-CD1 3.22Å; M286-L308 HydrophobicContact SD-CD1 4.14Å; A299-L308 WeakPolarHBondContact CA-O 3.1Å; A299-L308 WeakPolarHBondContact CB-O 3.47Å; A300-L308 PolarHBondContact N-O 3.25Å; A300-L308 PolarHBondContact O-N 2.69Å; T302-L308 HydrophobicContact CG2-CD1 4.21Å; L308-W310 HydrophobicContact CB-CE3 4.36Å; L308-W310 HydrophobicContact CB-CZ3 3.99Å; L308-P321 HydrophobicContact CB-CB 4.34Å; L308-P321 HydrophobicContact CD1-CB 4.45Å; L308-P321 HydrophobicContact CD2-CB 4.14Å; L308-H322 CarbonylContact C-O 3.19Å; L308-H322 VanDerWaalsContact CA-O 3.31Å; L308-H322 WeakPolarHBondContact CA-O 3.37Å; L308-L323 HydrophobicContact CD2-CB 4.15Å; L308-L323 HydrophobicContact CD2-CD1 4.4Å
309M96.9Very high94Very high13 Ų1344.6 Ų44.66%0.06424%0.243CC..EExtended strand (participates in β ladder)trans-135.3147.3173.971.2178.4-179.800112.2S298 H322 T324 V332 F336S298-M309 WeakPolarHBondContact O-CA 3.3Å; M309-H322 PolarHBondContact N-O 3.41Å; M309-H322 WeakPolarHBondContact O-CB 2.96Å; M309-H322 PolarHBondContact O-N 3.38Å; M309-T324 HydrophobicContact CB-CG2 4.05Å; M309-T324 HydrophobicContact CE-CG2 3.98Å; M309-T324 HydrophobicContact CG-CG2 3.48Å; M309-T324 VanDerWaalsContact CG-CG2 3.48Å; M309-T324 HydrophobicContact SD-CG2 3.65Å; M309-V332 HydrophobicContact CB-CB 4.46Å; M309-V332 HydrophobicContact CB-CG1 3.47Å; M309-V332 VanDerWaalsContact CB-CG1 3.47Å; M309-V332 HydrophobicContact CB-CG2 4.1Å; M309-V332 HydrophobicContact CG-CG1 4.38Å; M309-V332 HydrophobicContact SD-CG1 4.05Å; M309-F336 HydrophobicContact CE-CD1 3.95Å; M309-F336 HydrophobicContact CE-CD2 4.36Å; M309-F336 HydrophobicContact CE-CE1 3.9Å; M309-F336 HydrophobicContact CE-CE2 4.3Å; M309-F336 HydrophobicContact CE-CG 4.2Å; M309-F336 HydrophobicContact CE-CZ 4.08Å; M309-F336 HydrophobicContact SD-CB 4.14Å; M309-F336 HydrophobicContact SD-CD1 4.15Å; M309-F336 HydrophobicContact SD-CD2 3.99Å; M309-F336 HydrophobicContact SD-CE2 4.44Å; M309-F336 HydrophobicContact SD-CG 3.83Å
310W97.8Very high93.9Very high3 Ų347.3 Ų47.31%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-157.4178.8172.962.393000111.3L246 Q264 G266 I279 S298 A300 L308 V318 P321L246-W310 HydrophobicContact CD1-CZ2 4.25Å; L246-W310 HydrophobicContact CD2-CZ2 4.22Å; Q264-W310 VanDerWaalsContact C-CD1 3.49Å; Q264-W310 VanDerWaalsContact O-CD1 3.3Å; Q264-W310 PolarHBondContact O-NE1 2.94Å; G266-W310 VanDerWaalsContact CA-CD1 3.49Å; G266-W310 VanDerWaalsContact N-CD1 3.28Å; I279-W310 HydrophobicContact CD1-CH2 4.23Å; I279-W310 HydrophobicContact CD1-CZ2 3.55Å; S298-W310 PolarHBondContact N-O 3.43Å; S298-W310 PolarHBondContact O-N 2.94Å; S298-W310 PolarHBondContact OG-NE1 2.93Å; A300-W310 HydrophobicContact CB-CH2 3.71Å; A300-W310 HydrophobicContact CB-CZ3 3.91Å; L308-W310 HydrophobicContact CB-CE3 4.36Å; L308-W310 HydrophobicContact CB-CZ3 3.99Å; W310-V318 HydrophobicContact CB-CG1 4.21Å; W310-P321 HydrophobicContact CD2-CB 4.47Å; W310-P321 HydrophobicContact CD2-CG 4.25Å; W310-P321 HydrophobicContact CE3-CB 3.82Å; W310-P321 HydrophobicContact CE3-CG 4.01Å; W310-P321 HydrophobicContact CZ3-CB 4.23Å; W310-P321 HydrophobicContact CZ3-CG 4.38Å
311G97.7Very high93.8Very high0 Ų048.7 Ų48.70%027%0.271CS..EExtended strand (participates in β ladder)trans87.6-144.7-172.800000112.9Y262 Q264 H296 C313 V318Y262-G311 CarbonylContact O-C 3.58Å; Q264-G311 VanDerWaalsContact CA-CA 3.48Å; H296-G311 WeakPolarHBondContact O-CA 3.49Å; G311-C313 PolarHBondContact O-N 2.79Å; G311-V318 PolarHBondContact N-O 2.98Å; G311-V318 PolarHBondContact O-N 3.16Å
312Q97.1Very high93.8Very high32 Ų3251 Ų5115%0.1528%0.283CS..EExtended strand (participates in β ladder)trans-80.8109.2177.8-165.3178.618.500110.3Y262 H296 T297 Q316Y262-Q312 HydrophobicContact CD1-CB 4.2Å; Y262-Q312 HydrophobicContact CD1-CG 4.06Å; Y262-Q312 HydrophobicContact CD2-CB 4.44Å; Y262-Q312 HydrophobicContact CE1-CG 4.46Å; Y262-Q312 HydrophobicContact CG-CB 3.93Å; Y262-Q312 HydrophobicContact CG-CG 4.29Å; H296-Q312 HydrophobicContact CB-CB 3.78Å; H296-Q312 PolarHBondContact CD2-OE1 3.02Å; H296-Q312 VanDerWaalsContact CD2-OE1 3.29Å; H296-Q312 PolarHBondContact O-N 3.5Å; T297-Q312 PolarHBondContact OG1-O 3.36Å; Q312-Q316 CarbonylContact C-O 3.55Å; Q312-Q316 WeakPolarHBondContact CA-O 3.48Å
313C95.3Very high94Very high5 Ų555 Ų553%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-121110.6-178.5-58.30000109.4G311 G315 Q316 V318 F336G311-C313 PolarHBondContact O-N 2.79Å; C313-G315 PolarHBondContact O-N 3.09Å; C313-Q316 PolarHBondContact N-O 2.88Å; C313-Q316 WeakPolarHBondContact O-CB 3.36Å; C313-Q316 PolarHBondContact O-N 3.34Å; C313-V318 HydrophobicContact CB-CG2 4.06Å; C313-F336 CarbonylContact C-O 3.57Å; C313-F336 WeakPolarHBondContact CA-O 3.34Å; C313-F336 HydrophobicContact CB-CB 4.26Å; C313-F336 HydrophobicContact CB-CD1 4.11Å
314R90.4Very high94.2Very high179 Ų17949.2 Ų49.268%0.67528%0.277SS*.THydrogen-bonded Turntrans47.743.6-173.9-59.4-174.673.5152.12.7113.7Q316 C335 F336R314-Q316 PolarHBondContact O-N 2.97Å; R314-C335 WeakPolarHBondContact CD-O 3.37Å; R314-F336 HydrophobicContact CB-CD1 4.43Å; R314-F336 HydrophobicContact CG-CB 4.32Å; R314-F336 HydrophobicContact CG-CD1 3.58Å; R314-F336 HydrophobicContact CG-CE1 4.17Å; R314-F336 HydrophobicContact CG-CG 4.14Å; R314-F336 PolarHBondContact N-O 3.34Å
315G89.2Confident94.5Very high48 Ų4855 Ų5550%0.49530%0.296SS..THydrogen-bonded Turntrans78.6-4.2-178.800000115.4C313C313-G315 PolarHBondContact O-N 3.09Å
316Q94Very high94.7Very high139 Ų13955.9 Ų55.965%0.6529%0.291SS*.EExtended strand (participates in β ladder)trans-93.7147.2173.9-62.4-61.2-4300111.2Q312 C313 R314Q312-Q316 CarbonylContact C-O 3.55Å; Q312-Q316 WeakPolarHBondContact CA-O 3.48Å; C313-Q316 PolarHBondContact N-O 2.88Å; C313-Q316 WeakPolarHBondContact O-CB 3.36Å; C313-Q316 PolarHBondContact O-N 3.34Å; R314-Q316 PolarHBondContact O-N 2.97Å
317A96.5Very high94.5Very high36 Ų3654.7 Ų54.730%0.29829%0.292SS..EExtended strand (participates in β ladder)trans-94.4113.217600000110Y262Y262-A317 WeakPolarHBondContact O-CA 3.45Å; Y262-A317 WeakPolarHBondContact O-CB 3.49Å
318V97Very high94.3Very high37 Ų3755.4 Ų55.422%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-105.1105.3177.4-179.80000107.7W310 G311 C313 S320 H322W310-V318 HydrophobicContact CB-CG1 4.21Å; G311-V318 PolarHBondContact N-O 2.98Å; G311-V318 PolarHBondContact O-N 3.16Å; C313-V318 HydrophobicContact CB-CG2 4.06Å; V318-S320 VanDerWaalsContact CG1-O 3.3Å; V318-S320 WeakPolarHBondContact CG1-O 3.29Å; V318-H322 HydrophobicContact CG1-CB 3.94Å
319S96.4Very high94.3Very high37 Ų3754.5 Ų54.526%0.25929%0.292SS..EExtended strand (participates in β ladder)trans-87.5-8.1-170.851.80000115.8G266 T267 G268G266-S319 CarbonylContact C-O 3.58Å; G266-S319 WeakPolarHBondContact CA-O 3.46Å; T267-S319 PolarHBondContact N-O 3.04Å; G268-S319 VanDerWaalsContact CA-O 3.32Å; G268-S319 WeakPolarHBondContact CA-O 3.12Å; G268-S319 PolarHBondContact N-O 3.45Å
320S95.4Very high94.2Very high57 Ų5754.2 Ų54.240%0.39929%0.291SS..EExtended strand (participates in β ladder)trans-131.6149.2178.6-49.60000109.2G268 V318 H322G268-S320 WeakPolarHBondContact CA-OG 3.41Å; V318-S320 VanDerWaalsContact CG1-O 3.3Å; V318-S320 WeakPolarHBondContact CG1-O 3.29Å; S320-H322 PolarHBondContact O-N 2.93Å; S320-H322 VanDerWaalsContact O-N 3.14Å
321P95.8Very high94Very high31 Ų3154.2 Ų54.220%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-50.6121.3174.3-2734.7000111.3G266 I279 T281 L308 W310G266-P321 VanDerWaalsContact O-CD 3.31Å; G266-P321 WeakPolarHBondContact O-CD 3.38Å; I279-P321 HydrophobicContact CG2-CG 3.57Å; T281-P321 HydrophobicContact CG2-CG 4.37Å; L308-P321 HydrophobicContact CB-CB 4.34Å; L308-P321 HydrophobicContact CD1-CB 4.45Å; L308-P321 HydrophobicContact CD2-CB 4.14Å; W310-P321 HydrophobicContact CD2-CB 4.47Å; W310-P321 HydrophobicContact CD2-CG 4.25Å; W310-P321 HydrophobicContact CE3-CB 3.82Å; W310-P321 HydrophobicContact CE3-CG 4.01Å; W310-P321 HydrophobicContact CZ3-CB 4.23Å; W310-P321 HydrophobicContact CZ3-CG 4.38Å
322H95.1Very high93.9Very high103 Ų10354.2 Ų54.248%0.47729%0.292SS..EExtended strand (participates in β ladder)trans-109.2124.9179.8-179.579.5000109.8L308 M309 V318 S320L308-H322 CarbonylContact C-O 3.19Å; L308-H322 VanDerWaalsContact CA-O 3.31Å; L308-H322 WeakPolarHBondContact CA-O 3.37Å; M309-H322 PolarHBondContact N-O 3.41Å; M309-H322 WeakPolarHBondContact O-CB 2.96Å; M309-H322 PolarHBondContact O-N 3.38Å; V318-H322 HydrophobicContact CG1-CB 3.94Å; S320-H322 PolarHBondContact O-N 2.93Å; S320-H322 VanDerWaalsContact O-N 3.14Å
323L95.2Very high93.9Very high86 Ų8652.7 Ų52.745%0.4529%0.285SS..EExtended strand (participates in β ladder)trans-68.2131.2177.7-179.764.4000110.7Q306 L308Q306-L323 HydrophobicContact CB-CD1 3.71Å; Q306-L323 HydrophobicContact CG-CD1 4.11Å; L308-L323 HydrophobicContact CD2-CB 4.15Å; L308-L323 HydrophobicContact CD2-CD1 4.4Å
324T94.7Very high93.9Very high15 Ų1552.8 Ų52.89%0.09229%0.286CS..  trans-110.2169.7178.274.40000111.3V307 M309 F326V307-T324 WeakPolarHBondContact CB-OG1 3.45Å; V307-T324 WeakPolarHBondContact O-CB 3.37Å; V307-T324 PolarHBondContact O-N 2.67Å; V307-T324 PolarHBondContact O-OG1 3.41Å; M309-T324 HydrophobicContact CB-CG2 4.05Å; M309-T324 HydrophobicContact CE-CG2 3.98Å; M309-T324 HydrophobicContact CG-CG2 3.48Å; M309-T324 VanDerWaalsContact CG-CG2 3.48Å; M309-T324 HydrophobicContact SD-CG2 3.65Å; T324-F326 VanDerWaalsContact C-N 3.32Å; T324-F326 HydrophobicContact CG2-CD2 4.09Å; T324-F326 PolarHBondContact OG1-N 3.46Å
325H91.2Very high94Very high199 Ų19946.4 Ų46.492%0.92127%0.268SS*.SBendtrans-96.116.5170.2-61.2-54.5000112.7
326F90.8Very high94.3Very high48 Ų4846.7 Ų46.721%0.21126%0.255CS..  trans-82.6159.6177.5-64.7-53.3000112.2V307 T324 D331 V332 C335 F336V307-F326 HydrophobicContact CB-CB 4.29Å; V307-F326 HydrophobicContact CG1-CB 4.33Å; V307-F326 WeakPolarHBondContact CG2-O 3.35Å; T324-F326 VanDerWaalsContact C-N 3.32Å; T324-F326 HydrophobicContact CG2-CD2 4.09Å; T324-F326 PolarHBondContact OG1-N 3.46Å; F326-D331 HydrophobicContact CB-CB 3.73Å; F326-D331 HydrophobicContact CD1-CB 3.4Å; F326-D331 HydrophobicContact CD2-CB 4.14Å; F326-D331 HydrophobicContact CE1-CB 3.95Å; F326-D331 HydrophobicContact CG-CB 3.5Å; F326-D331 VanDerWaalsContact CG-CB 3.5Å; F326-V332 HydrophobicContact CD2-CG2 3.96Å; F326-C335 HydrophobicContact CE2-CB 4.49Å; F326-C335 HydrophobicContact CZ-CB 3.78Å; F326-F336 AromaticContact CE2-CD2 3.66Å; F326-F336 HydrophobicContact CE2-CD2 3.66Å; F326-F336 AromaticContact CE2-CE2 3.54Å; F326-F336 HydrophobicContact CE2-CE2 3.54Å; F326-F336 AromaticContact CZ-CD2 3.95Å; F326-F336 HydrophobicContact CZ-CD2 3.95Å; F326-F336 AromaticContact CZ-CE2 3.62Å; F326-F336 HydrophobicContact CZ-CE2 3.62Å
327S86.8Confident94.3Very high61 Ų6140.4 Ų40.443%0.42723%0.228SC..SBendtrans-105.5-17.9-179.962.90000113.4K301 D331K301-S327 PolarHBondContact NZ-O 3.04Å; K301-S327 VanDerWaalsContact NZ-O 3.11Å; S327-D331 PolarHBondContact N-OD2 3.34Å
328S91.3Very high94.2Very high15 Ų1542.2 Ų42.211%0.10524%0.235CC..SBendtrans-133154.7174.4-165.20000110.9D330 D331S328-D330 PolarHBondContact O-N 3.16Å; S328-D330 PolarHBondContact OG-N 2.73Å; S328-D330 PolarHBondContact OG-OD2 3.25Å; S328-D331 WeakPolarHBondContact O-CB 3.48Å; S328-D331 PolarHBondContact O-N 3.44Å
329T95.1Very high94Very high0 Ų041.6 Ų41.60%023%0.231CC..Hα-helixtrans-64.3-27.8169.555.60000111.4E288 A290 A299 K301 V307 D331 V332 F333 W343E288-T329 WeakPolarHBondContact OE1-CB 3.48Å; E288-T329 WeakPolarHBondContact OE1-CG2 3.48Å; E288-T329 PolarHBondContact OE1-OG1 3.28Å; A290-T329 HydrophobicContact CB-CG2 4.24Å; A299-T329 HydrophobicContact CB-CG2 4.02Å; K301-T329 HydrophobicContact CB-CG2 4.16Å; V307-T329 HydrophobicContact CG1-CG2 4.45Å; T329-D331 PolarHBondContact O-N 3.11Å; T329-V332 WeakPolarHBondContact O-CA 3.31Å; T329-V332 WeakPolarHBondContact O-CB 2.98Å; T329-V332 PolarHBondContact O-N 2.82Å; T329-F333 WeakPolarHBondContact O-CD2 3.27Å; T329-F333 PolarHBondContact O-N 3.26Å; T329-W343 WeakPolarHBondContact OG1-CZ2 3.19Å; T329-W343 PolarHBondContact OG1-NE1 2.92Å
330D95Very high94Very high7 Ų740.7 Ų40.74%0.03723%0.227CC..Hα-helixtrans-58.6-36.4175.6-54.8-60.2000113.1L2 W7 S328 V332 F333 A334 W343 H344 L346L2-D330 HydrophobicContact CD1-CB 3.83Å; L2-D330 WeakPolarHBondContact CD1-OD2 3.45Å; W7-D330 HydrophobicContact CZ2-CB 4.47Å; S328-D330 PolarHBondContact O-N 3.16Å; S328-D330 PolarHBondContact OG-N 2.73Å; S328-D330 PolarHBondContact OG-OD2 3.25Å; D330-V332 PolarHBondContact O-N 2.53Å; D330-F333 PolarHBondContact O-N 2.92Å; D330-F333 VanDerWaalsContact O-N 3.1Å; D330-A334 WeakPolarHBondContact O-CB 3.35Å; D330-A334 PolarHBondContact O-N 3.34Å; D330-W343 PolarHBondContact OD1-NE1 2.88Å; D330-H344 IonicContact OD1-CD2 3.19Å; D330-H344 IonicContact OD1-NE2 3.18Å; D330-H344 PolarHBondContact OD1-NE2 3.42Å; D330-L346 HydrophobicContact CB-CD2 3.84Å; D330-L346 WeakPolarHBondContact OD1-CD2 3.45Å
331D94.1Very high94Very high4 Ų438 Ų382%0.02121%0.208CC..Hα-helixtrans-63.3-33.3177.1-64.9-31.5000111.2K6 F326 S327 S328 T329 C335K6-D331 WeakPolarHBondContact CD-OD1 3.3Å; K6-D331 WeakPolarHBondContact CE-OD1 3.45Å; K6-D331 IonicContact NZ-OD1 3.33Å; K6-D331 PolarHBondContact NZ-OD1 2.96Å; K6-D331 IonicContact NZ-OD2 2.98Å; K6-D331 PolarHBondContact NZ-OD2 3.15Å; F326-D331 HydrophobicContact CB-CB 3.73Å; F326-D331 HydrophobicContact CD1-CB 3.4Å; F326-D331 HydrophobicContact CD2-CB 4.14Å; F326-D331 HydrophobicContact CE1-CB 3.95Å; F326-D331 HydrophobicContact CG-CB 3.5Å; F326-D331 VanDerWaalsContact CG-CB 3.5Å; S327-D331 PolarHBondContact N-OD2 3.34Å; S328-D331 WeakPolarHBondContact O-CB 3.48Å; S328-D331 PolarHBondContact O-N 3.44Å; T329-D331 PolarHBondContact O-N 3.11Å; D331-C335 VanDerWaalsContact O-CB 3.27Å; D331-C335 WeakPolarHBondContact O-CB 3.35Å; D331-C335 PolarHBondContact O-N 2.57Å
332V95.9Very high94Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-63.3-45.2174.1-179.80000109.7T297 A299 V307 M309 F326 T329 D330 F336 A337T297-V332 HydrophobicContact CG2-CG1 3.97Å; A299-V332 HydrophobicContact CB-CB 4.13Å; A299-V332 HydrophobicContact CB-CG1 4.1Å; A299-V332 HydrophobicContact CB-CG2 4.14Å; V307-V332 HydrophobicContact CG1-CG2 3.54Å; M309-V332 HydrophobicContact CB-CB 4.46Å; M309-V332 HydrophobicContact CB-CG1 3.47Å; M309-V332 VanDerWaalsContact CB-CG1 3.47Å; M309-V332 HydrophobicContact CB-CG2 4.1Å; M309-V332 HydrophobicContact CG-CG1 4.38Å; M309-V332 HydrophobicContact SD-CG1 4.05Å; F326-V332 HydrophobicContact CD2-CG2 3.96Å; T329-V332 WeakPolarHBondContact O-CA 3.31Å; T329-V332 WeakPolarHBondContact O-CB 2.98Å; T329-V332 PolarHBondContact O-N 2.82Å; D330-V332 PolarHBondContact O-N 2.53Å; V332-F336 WeakPolarHBondContact O-CA 3.4Å; V332-F336 WeakPolarHBondContact O-CB 3.01Å; V332-F336 PolarHBondContact O-N 3.47Å; V332-A337 PolarHBondContact O-N 3.11Å
333F96.3Very high94Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-69.6-40.7179.3-77.4-91.2000112.4W7 A290 C292 A299 T329 D330 C335 A337 A340 V341 W343W7-F333 HydrophobicContact CH2-CB 3.85Å; A290-F333 HydrophobicContact CB-CE2 3.68Å; A290-F333 HydrophobicContact CB-CZ 4.37Å; C292-F333 HydrophobicContact CB-CD1 4.35Å; C292-F333 HydrophobicContact CB-CE1 3.85Å; A299-F333 HydrophobicContact CB-CE2 4.15Å; T329-F333 WeakPolarHBondContact O-CD2 3.27Å; T329-F333 PolarHBondContact O-N 3.26Å; D330-F333 PolarHBondContact O-N 2.92Å; D330-F333 VanDerWaalsContact O-N 3.1Å; F333-C335 PolarHBondContact O-N 2.69Å; F333-A337 HydrophobicContact CB-CB 4.27Å; F333-A337 HydrophobicContact CD1-CB 3.69Å; F333-A337 HydrophobicContact CE1-CB 4.38Å; F333-A337 HydrophobicContact CG-CB 4.28Å; F333-A337 WeakPolarHBondContact O-CB 3.43Å; F333-A337 PolarHBondContact O-N 3.42Å; F333-A340 WeakPolarHBondContact O-CA 3.42Å; F333-A340 WeakPolarHBondContact O-CB 3.33Å; F333-V341 WeakPolarHBondContact CB-O 3.36Å; F333-W343 HydrophobicContact CD1-CB 4.5Å; F333-W343 AromaticContact CD2-CD1 3.47Å; F333-W343 VanDerWaalsContact CD2-CD1 3.47Å; F333-W343 HydrophobicContact CD2-CG 4.16Å; F333-W343 HydrophobicContact CE1-CB 4.36Å; F333-W343 HydrophobicContact CE2-CB 4.38Å; F333-W343 AromaticContact CE2-CD1 3.79Å; F333-W343 HydrophobicContact CE2-CG 4.1Å; F333-W343 AromaticContact CG-CD1 4Å; F333-W343 HydrophobicContact CZ-CB 4.32Å; F333-W343 HydrophobicContact CZ-CG 4.49Å
334A95Very high93.9Very high7 Ų733 Ų336%0.05818%0.177CC..Hα-helixtrans-62.9-40.8177.100000112.5K6 W7 D330 A340K6-A334 HydrophobicContact CB-CB 4.13Å; W7-A334 HydrophobicContact CD2-CB 3.82Å; W7-A334 HydrophobicContact CE3-CB 4.08Å; W7-A334 HydrophobicContact CG-CB 4.33Å; W7-A334 HydrophobicContact CH2-CB 4.1Å; W7-A334 HydrophobicContact CZ2-CB 3.84Å; W7-A334 HydrophobicContact CZ3-CB 4.2Å; D330-A334 WeakPolarHBondContact O-CB 3.35Å; D330-A334 PolarHBondContact O-N 3.34Å; A334-A340 WeakPolarHBondContact O-CB 3.23Å
335C93.8Very high94Very high44 Ų4433.3 Ų33.330%0.29718%0.178SC..Hα-helixtrans-100.3-26.7-171.3-67.10000114.9R314 F326 D331 F333R314-C335 WeakPolarHBondContact CD-O 3.37Å; F326-C335 HydrophobicContact CE2-CB 4.49Å; F326-C335 HydrophobicContact CZ-CB 3.78Å; D331-C335 VanDerWaalsContact O-CB 3.27Å; D331-C335 WeakPolarHBondContact O-CB 3.35Å; D331-C335 PolarHBondContact O-N 2.57Å; F333-C335 PolarHBondContact O-N 2.69Å
336F94.9Very high94.1Very high54 Ų5423.9 Ų23.924%0.23714%0.135CC..Hα-helixtrans-126.9-18.3-169.5-73.2-92.6000115.7M309 C313 R314 F326 V332M309-F336 HydrophobicContact CE-CD1 3.95Å; M309-F336 HydrophobicContact CE-CD2 4.36Å; M309-F336 HydrophobicContact CE-CE1 3.9Å; M309-F336 HydrophobicContact CE-CE2 4.3Å; M309-F336 HydrophobicContact CE-CG 4.2Å; M309-F336 HydrophobicContact CE-CZ 4.08Å; M309-F336 HydrophobicContact SD-CB 4.14Å; M309-F336 HydrophobicContact SD-CD1 4.15Å; M309-F336 HydrophobicContact SD-CD2 3.99Å; M309-F336 HydrophobicContact SD-CE2 4.44Å; M309-F336 HydrophobicContact SD-CG 3.83Å; C313-F336 CarbonylContact C-O 3.57Å; C313-F336 WeakPolarHBondContact CA-O 3.34Å; C313-F336 HydrophobicContact CB-CB 4.26Å; C313-F336 HydrophobicContact CB-CD1 4.11Å; R314-F336 HydrophobicContact CB-CD1 4.43Å; R314-F336 HydrophobicContact CG-CB 4.32Å; R314-F336 HydrophobicContact CG-CD1 3.58Å; R314-F336 HydrophobicContact CG-CE1 4.17Å; R314-F336 HydrophobicContact CG-CG 4.14Å; R314-F336 PolarHBondContact N-O 3.34Å; F326-F336 AromaticContact CE2-CD2 3.66Å; F326-F336 HydrophobicContact CE2-CD2 3.66Å; F326-F336 AromaticContact CE2-CE2 3.54Å; F326-F336 HydrophobicContact CE2-CE2 3.54Å; F326-F336 AromaticContact CZ-CD2 3.95Å; F326-F336 HydrophobicContact CZ-CD2 3.95Å; F326-F336 AromaticContact CZ-CE2 3.62Å; F326-F336 HydrophobicContact CZ-CE2 3.62Å; V332-F336 WeakPolarHBondContact O-CA 3.4Å; V332-F336 WeakPolarHBondContact O-CB 3.01Å; V332-F336 PolarHBondContact O-N 3.47Å
337A94.8Very high94Very high8 Ų824.4 Ų24.47%0.06615%0.145CC..SBendtrans-72.8157.1175.200000112.2T297 V332 F333 P339T297-A337 WeakPolarHBondContact OG1-CA 3.48Å; V332-A337 PolarHBondContact O-N 3.11Å; F333-A337 HydrophobicContact CB-CB 4.27Å; F333-A337 HydrophobicContact CD1-CB 3.69Å; F333-A337 HydrophobicContact CE1-CB 4.38Å; F333-A337 HydrophobicContact CG-CB 4.28Å; F333-A337 WeakPolarHBondContact O-CB 3.43Å; F333-A337 PolarHBondContact O-N 3.42Å; A337-P339 CarbonylContact C-O 3.47Å; A337-P339 WeakPolarHBondContact CB-O 3.34Å
338T93Very high93.9Very high74 Ų7422.5 Ų22.545%0.45413%0.13SC..SBendtrans-137.4107.3174.8-55.40000108.7
339P94Very high92.7Very high23 Ų2326.9 Ų26.915%0.14915%0.152CC..SBendcis-70.3159.1-2.332-35.6000112.7A31 A337 V341A31-P339 HydrophobicContact CB-CB 4.3Å; A337-P339 CarbonylContact C-O 3.47Å; A337-P339 WeakPolarHBondContact CB-O 3.34Å; P339-V341 VanDerWaalsContact C-N 3.29Å; P339-V341 HydrophobicContact CB-CG1 4.04Å; P339-V341 HydrophobicContact CG-CG1 3.93Å; P339-V341 HydrophobicContact CG-CG2 4.29Å; P339-V341 PolarHBondContact O-N 3.46Å
340A95Very high90.7Very high19 Ų1928.1 Ų28.116%0.15717%0.165CC..  trans-79.375.4177.300000110.3W7 A31 F333 A334W7-A340 VanDerWaalsContact CE3-O 3.25Å; W7-A340 VanDerWaalsContact CZ3-C 3.42Å; W7-A340 WeakPolarHBondContact CZ3-O 3.27Å; A31-A340 VanDerWaalsContact CB-C 3.5Å; A31-A340 HydrophobicContact CB-CB 4.25Å; A31-A340 WeakPolarHBondContact CB-O 3.38Å; F333-A340 WeakPolarHBondContact O-CA 3.42Å; F333-A340 WeakPolarHBondContact O-CB 3.33Å; A334-A340 WeakPolarHBondContact O-CB 3.23Å
341V95.5Very high88.5Confident0 Ų030.1 Ų30.10%018%0.176CC..  trans-115.6155.4-178.5-61.60000112.6W7 V26 G28 A31 Y81 T294 F333 P339W7-V341 VanDerWaalsContact CH2-C 3.45Å; W7-V341 WeakPolarHBondContact CH2-O 3.19Å; V26-V341 CarbonylContact O-C 3.59Å; V26-V341 WeakPolarHBondContact O-CA 3.48Å; V26-V341 VanDerWaalsContact O-CB 3.29Å; V26-V341 WeakPolarHBondContact O-CB 3.21Å; G28-V341 WeakPolarHBondContact O-CG1 3.26Å; A31-V341 HydrophobicContact CB-CG1 3.78Å; Y81-V341 VanDerWaalsContact OH-CB 3.24Å; Y81-V341 WeakPolarHBondContact OH-CB 3.39Å; Y81-V341 WeakPolarHBondContact OH-CG2 3.35Å; T294-V341 WeakPolarHBondContact OG1-CG2 3.3Å; F333-V341 WeakPolarHBondContact CB-O 3.36Å; P339-V341 VanDerWaalsContact C-N 3.29Å; P339-V341 HydrophobicContact CB-CG1 4.04Å; P339-V341 HydrophobicContact CG-CG1 3.93Å; P339-V341 HydrophobicContact CG-CG2 4.29Å; P339-V341 PolarHBondContact O-N 3.46Å
342T96.4Very high86.4Confident1 Ų137.6 Ų37.61%0.00622%0.216CC..  trans-76.1131.1-177.1510000111.9W7 C25 V26 Y81 H344 L346W7-T342 HydrophobicContact CD2-CG2 4.26Å; W7-T342 HydrophobicContact CE3-CG2 4.3Å; W7-T342 HydrophobicContact CH2-CG2 3.49Å; W7-T342 VanDerWaalsContact CH2-CG2 3.49Å; W7-T342 HydrophobicContact CZ2-CG2 3.43Å; W7-T342 VanDerWaalsContact CZ2-CG2 3.43Å; W7-T342 HydrophobicContact CZ3-CG2 3.93Å; C25-T342 PolarHBondContact SG-OG1 3.4Å; V26-T342 HydrophobicContact CB-CG2 4.04Å; V26-T342 HydrophobicContact CG2-CG2 4.31Å; V26-T342 PolarHBondContact N-OG1 3.14Å; V26-T342 PolarHBondContact O-N 2.92Å; V26-T342 PolarHBondContact O-OG1 3.09Å; Y81-T342 WeakPolarHBondContact CE1-O 3.28Å; Y81-T342 PolarHBondContact OH-O 2.92Å; T342-H344 WeakPolarHBondContact CB-O 3.46Å; T342-L346 HydrophobicContact CG2-CD1 3.46Å; T342-L346 VanDerWaalsContact CG2-CD1 3.46Å; T342-L346 HydrophobicContact CG2-CD2 4.04Å; T342-L346 HydrophobicContact CG2-CG 3.59Å
343W95Very high84.4Confident50 Ų5045.1 Ų45.119%0.18925%0.245CC..SBendtrans-82.7-12-179.867.1-80.8000113.8E288 A290 C292 T329 D330 F333E288-W343 HydrophobicContact CG-CH2 4.05Å; E288-W343 HydrophobicContact CG-CZ2 4.26Å; A290-W343 HydrophobicContact CB-CD2 3.48Å; A290-W343 VanDerWaalsContact CB-CD2 3.48Å; A290-W343 HydrophobicContact CB-CE3 3.98Å; A290-W343 HydrophobicContact CB-CG 3.94Å; A290-W343 HydrophobicContact CB-CH2 4.14Å; A290-W343 HydrophobicContact CB-CZ2 3.66Å; A290-W343 HydrophobicContact CB-CZ3 4.29Å; C292-W343 HydrophobicContact CB-CB 4.1Å; T329-W343 WeakPolarHBondContact OG1-CZ2 3.19Å; T329-W343 PolarHBondContact OG1-NE1 2.92Å; D330-W343 PolarHBondContact OD1-NE1 2.88Å; F333-W343 HydrophobicContact CD1-CB 4.5Å; F333-W343 AromaticContact CD2-CD1 3.47Å; F333-W343 VanDerWaalsContact CD2-CD1 3.47Å; F333-W343 HydrophobicContact CD2-CG 4.16Å; F333-W343 HydrophobicContact CE1-CB 4.36Å; F333-W343 HydrophobicContact CE2-CB 4.38Å; F333-W343 AromaticContact CE2-CD1 3.79Å; F333-W343 HydrophobicContact CE2-CG 4.1Å; F333-W343 AromaticContact CG-CD1 4Å; F333-W343 HydrophobicContact CZ-CB 4.32Å; F333-W343 HydrophobicContact CZ-CG 4.49Å
344H94.6Very high82.7Confident64 Ų6448.7 Ų48.730%0.29626%0.264SS..SBendtrans-149.3179.616768.784.2000110.9D330 T342 L346D330-H344 IonicContact OD1-CD2 3.19Å; D330-H344 IonicContact OD1-NE2 3.18Å; D330-H344 PolarHBondContact OD1-NE2 3.42Å; T342-H344 WeakPolarHBondContact CB-O 3.46Å; H344-L346 PolarHBondContact O-N 2.93Å; H344-L346 VanDerWaalsContact O-N 3.14Å
345L95.4Very high81.7Confident21 Ų2151.3 Ų51.311%0.1128%0.28CS..  trans-66.5106168.8178.761.1000110.1Q23 I76 L79 S347Q23-L345 HydrophobicContact CB-CD1 3.97Å; Q23-L345 HydrophobicContact CB-CG 4.29Å; I76-L345 HydrophobicContact CG2-CD2 3.8Å; L79-L345 HydrophobicContact CB-CB 4.2Å; L79-L345 HydrophobicContact CB-CD1 4.07Å; L79-L345 HydrophobicContact CB-CD2 4.33Å; L79-L345 HydrophobicContact CB-CG 4.44Å; L79-L345 HydrophobicContact CD1-CD1 4.37Å; L345-S347 PolarHBondContact O-N 2.82Å
346L93.5Very high81Confident1 Ų154.7 Ų54.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-59.3136.2179.8-59.6175.3000109.9L2 W7 Q23 A24 D330 T342 H344L2-L346 HydrophobicContact CD2-CB 3.96Å; L2-L346 HydrophobicContact CD2-CD1 4.2Å; L2-L346 HydrophobicContact CD2-CD2 4.13Å; L2-L346 HydrophobicContact CD2-CG 4.33Å; W7-L346 HydrophobicContact CZ2-CD1 4.1Å; W7-L346 HydrophobicContact CZ2-CD2 4.45Å; Q23-L346 WeakPolarHBondContact CA-O 3.41Å; Q23-L346 WeakPolarHBondContact CB-O 3.42Å; A24-L346 HydrophobicContact CB-CB 4.37Å; A24-L346 HydrophobicContact CB-CD1 4.18Å; A24-L346 PolarHBondContact N-O 3.3Å; A24-L346 VanDerWaalsContact O-CB 3.23Å; A24-L346 WeakPolarHBondContact O-CB 3.41Å; A24-L346 WeakPolarHBondContact O-CG 3.29Å; A24-L346 PolarHBondContact O-N 2.98Å; D330-L346 HydrophobicContact CB-CD2 3.84Å; D330-L346 WeakPolarHBondContact OD1-CD2 3.45Å; T342-L346 HydrophobicContact CG2-CD1 3.46Å; T342-L346 VanDerWaalsContact CG2-CD1 3.46Å; T342-L346 HydrophobicContact CG2-CD2 4.04Å; T342-L346 HydrophobicContact CG2-CG 3.59Å; H344-L346 PolarHBondContact O-N 2.93Å; H344-L346 VanDerWaalsContact O-N 3.14Å
347S89.5Confident80.2Confident60 Ų6055.1 Ų55.142%0.4231%0.312SS..EExtended strand (participates in β ladder)trans-107.2115.4165.3-171.70000108.1L345 D349L345-S347 PolarHBondContact O-N 2.82Å; S347-D349 PolarHBondContact O-N 2.95Å; S347-D349 PolarHBondContact OG-OD1 3.27Å
348V83.5Confident79.4Confident21 Ų2159.1 Ų59.113%0.12733%0.329CS..  trans-85.392.6164.1-174.40000105L2 V4 I21 R22 G350L2-V348 HydrophobicContact CD2-CG2 4.2Å; V4-V348 HydrophobicContact CG1-CG2 3.47Å; V4-V348 VanDerWaalsContact CG1-CG2 3.47Å; I21-V348 HydrophobicContact CG2-CG2 4.47Å; R22-V348 PolarHBondContact O-N 3.38Å; V348-G350 PolarHBondContact O-N 3.1Å
349D66.6Low79Confident106 Ų10657.7 Ų57.757%0.56732%0.322SS*.  trans-59.596.2164.5-66.4-20.2000106S347 D351S347-D349 PolarHBondContact O-N 2.95Å; S347-D349 PolarHBondContact OG-OD1 3.27Å; D349-D351 PolarHBondContact O-N 3.34Å
350G53.7Low78.7Confident26 Ų2659.2 Ų59.227%0.26833%0.329SS..  trans-7381.4166.600000105.2R22 V348 D352R22-G350 VanDerWaalsContact NH1-N 3.14Å; R22-G350 PolarHBondContact NH1-O 2.84Å; V348-G350 PolarHBondContact O-N 3.1Å; G350-D352 PolarHBondContact O-N 2.71Å
351D48.2Very low78.4Confident49 Ų4963.9 Ų63.926%0.26235%0.346SS..  trans-51.7116.5166.1-73.3-26.7000107.6M1 D349 Y353M1-D351 HydrophobicContact CE-CB 4.32Å; D349-D351 PolarHBondContact O-N 3.34Å; D351-Y353 HydrophobicContact CB-CD1 3.67Å; D351-Y353 HydrophobicContact CB-CD2 3.51Å; D351-Y353 HydrophobicContact CB-CE1 3.47Å; D351-Y353 VanDerWaalsContact CB-CE1 3.47Å; D351-Y353 HydrophobicContact CB-CE2 3.33Å; D351-Y353 HydrophobicContact CB-CG 3.71Å; D351-Y353 VanDerWaalsContact CG-CE1 3.44Å; D351-Y353 PolarHBondContact O-N 2.67Å; D351-Y353 VanDerWaalsContact OD1-CE1 3.27Å; D351-Y353 WeakPolarHBondContact OD1-CE1 3.21Å; D351-Y353 PolarHBondContact OD1-OH 3.41Å; D351-Y353 WeakPolarHBondContact OD2-CE2 3.31Å; D351-Y353 PolarHBondContact OD2-OH 2.85Å
352D50Low77.9Confident162 Ų16270.8 Ų70.887%0.86638%0.376SS*.SBendtrans-61-0.1170.1-72.7-32.6000112.1G350G350-D352 PolarHBondContact O-N 2.71Å
353Y54.2Low77.7Confident157 Ų15773 Ų7362%0.61639%0.386SS*.SBendtrans-95.6110.1174.638.9-82.8000111.3D351D351-Y353 HydrophobicContact CB-CD1 3.67Å; D351-Y353 HydrophobicContact CB-CD2 3.51Å; D351-Y353 HydrophobicContact CB-CE1 3.47Å; D351-Y353 VanDerWaalsContact CB-CE1 3.47Å; D351-Y353 HydrophobicContact CB-CE2 3.33Å; D351-Y353 HydrophobicContact CB-CG 3.71Å; D351-Y353 VanDerWaalsContact CG-CE1 3.44Å; D351-Y353 PolarHBondContact O-N 2.67Å; D351-Y353 VanDerWaalsContact OD1-CE1 3.27Å; D351-Y353 WeakPolarHBondContact OD1-CE1 3.21Å; D351-Y353 PolarHBondContact OD1-OH 3.41Å; D351-Y353 WeakPolarHBondContact OD2-CE2 3.31Å; D351-Y353 PolarHBondContact OD2-OH 2.85Å
354L61Low77.5Confident76 Ų7671.6 Ų71.640%0.39838%0.381SS..  trans-56.3138.1165.9-65.6167.8000109.4Q358 S359 K362L354-Q358 HydrophobicContact CB-CB 3.94Å; L354-Q358 HydrophobicContact CD2-CB 3.97Å; L354-Q358 HydrophobicContact CG-CB 4.49Å; L354-S359 WeakPolarHBondContact CB-OG 3.46Å; L354-S359 PolarHBondContact O-OG 3.02Å; L354-S359 VanDerWaalsContact O-OG 3.11Å; L354-K362 HydrophobicContact CD1-CB 4.23Å; L354-K362 HydrophobicContact CD1-CD 3.5Å; L354-K362 VanDerWaalsContact CD1-CD 3.5Å; L354-K362 HydrophobicContact CD1-CG 4.5Å
355T72.6Confident77.4Confident62 Ų6270.5 Ų70.538%0.3838%0.378SS..  trans-54.9159.816859.70000110.2A357 Q358 S359T355-A357 PolarHBondContact O-N 3.14Å; T355-Q358 PolarHBondContact O-N 3.14Å; T355-Q358 WeakPolarHBondContact OG1-CB 3.44Å; T355-Q358 VanDerWaalsContact OG1-CD 3.24Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.37Å; T355-Q358 PolarHBondContact OG1-N 3.03Å; T355-Q358 PolarHBondContact OG1-OE1 3.23Å; T355-S359 WeakPolarHBondContact O-CB 3.47Å; T355-S359 PolarHBondContact O-N 2.89Å; T355-S359 PolarHBondContact O-OG 3.03Å
356V79Confident77.2Confident114 Ų11470.5 Ų70.569%0.69138%0.38SS*.Hα-helixtrans-52-43.6177.3176.70000111.2S359 L360V356-S359 PolarHBondContact O-N 3.07Å; V356-L360 HydrophobicContact CG1-CD1 3.9Å; V356-L360 HydrophobicContact CG1-CG 4.41Å; V356-L360 WeakPolarHBondContact O-CB 3.48Å; V356-L360 VanDerWaalsContact O-CG 3.24Å; V356-L360 WeakPolarHBondContact O-CG 3.42Å; V356-L360 PolarHBondContact O-N 2.86Å
357A78.5Confident77Confident64 Ų6474.4 Ų74.453%0.52941%0.405SS..Hα-helixtrans-64.4-43.3177.800000112.9T355 K361T355-A357 PolarHBondContact O-N 3.14Å; A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 2.84Å
358Q78.1Confident77Confident91 Ų9179.8 Ų79.843%0.42542%0.423SS..Hα-helixtrans-69.3-36.5177.5-72.3164.3-29.300112.4L354 T355 K361 K362L354-Q358 HydrophobicContact CB-CB 3.94Å; L354-Q358 HydrophobicContact CD2-CB 3.97Å; L354-Q358 HydrophobicContact CG-CB 4.49Å; T355-Q358 PolarHBondContact O-N 3.14Å; T355-Q358 WeakPolarHBondContact OG1-CB 3.44Å; T355-Q358 VanDerWaalsContact OG1-CD 3.24Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.37Å; T355-Q358 PolarHBondContact OG1-N 3.03Å; T355-Q358 PolarHBondContact OG1-OE1 3.23Å; Q358-K361 PolarHBondContact O-N 3.02Å; Q358-K362 WeakPolarHBondContact O-CB 3.41Å; Q358-K362 PolarHBondContact O-N 3.22Å
359S84.9Confident77.3Confident44 Ų4483.3 Ų83.331%0.30844%0.44SS..Hα-helixtrans-61.9-50.8174.9-60.80000110.1L354 T355 V356 K361 K362 E363L354-S359 WeakPolarHBondContact CB-OG 3.46Å; L354-S359 PolarHBondContact O-OG 3.02Å; L354-S359 VanDerWaalsContact O-OG 3.11Å; T355-S359 WeakPolarHBondContact O-CB 3.47Å; T355-S359 PolarHBondContact O-N 2.89Å; T355-S359 PolarHBondContact O-OG 3.03Å; V356-S359 PolarHBondContact O-N 3.07Å; S359-K361 PolarHBondContact O-N 3.06Å; S359-K362 PolarHBondContact O-N 3.04Å; S359-E363 WeakPolarHBondContact O-CG 3.44Å; S359-E363 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-N 3.14Å
360L88.1Confident78.4Confident55 Ų5579.6 Ų79.629%0.28842%0.423SS..Hα-helixtrans-61.1-43.7176.7-69.7170.7000111.6V356 K362 E363 F364 L387 Y425V356-L360 HydrophobicContact CG1-CD1 3.9Å; V356-L360 HydrophobicContact CG1-CG 4.41Å; V356-L360 WeakPolarHBondContact O-CB 3.48Å; V356-L360 VanDerWaalsContact O-CG 3.24Å; V356-L360 WeakPolarHBondContact O-CG 3.42Å; V356-L360 PolarHBondContact O-N 2.86Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 2.92Å; L360-E363 PolarHBondContact O-N 2.94Å; L360-F364 PolarHBondContact O-N 3.16Å; L360-L387 HydrophobicContact CD1-CD1 3.93Å; L360-Y425 HydrophobicContact CB-CD1 4.2Å; L360-Y425 VanDerWaalsContact O-CD1 3.24Å; L360-Y425 WeakPolarHBondContact O-CD1 3.28Å
361K87.4Confident80.2Confident118 Ų11881.9 Ų81.951%0.51343%0.429SS..Hα-helixtrans-58.6-42176.3177.3171.8-177.7178.10112.3A357 Q358 S359 E363 F364 T426A357-K361 WeakPolarHBondContact O-CB 3.41Å; A357-K361 PolarHBondContact O-N 2.84Å; Q358-K361 PolarHBondContact O-N 3.02Å; S359-K361 PolarHBondContact O-N 3.06Å; K361-E363 VanDerWaalsContact C-N 3.29Å; K361-E363 PolarHBondContact O-N 3.05Å; K361-F364 PolarHBondContact O-N 3.26Å; K361-T426 HydrophobicContact CB-CG2 4.03Å; K361-T426 HydrophobicContact CD-CG2 3.8Å; K361-T426 HydrophobicContact CG-CG2 3.63Å
362K86.3Confident82.4Confident145 Ų14579.8 Ų79.863%0.6342%0.418SS*.Hα-helixtrans-64-36.4179-179-178.3170.1-166.60111.8L354 Q358 S359 L360 F364L354-K362 HydrophobicContact CD1-CB 4.23Å; L354-K362 HydrophobicContact CD1-CD 3.5Å; L354-K362 VanDerWaalsContact CD1-CD 3.5Å; L354-K362 HydrophobicContact CD1-CG 4.5Å; Q358-K362 WeakPolarHBondContact O-CB 3.41Å; Q358-K362 PolarHBondContact O-N 3.22Å; S359-K362 PolarHBondContact O-N 3.04Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 2.92Å; K362-F364 VanDerWaalsContact C-N 3.33Å
363E90.7Very high84.4Confident47 Ų4775.6 Ų75.622%0.2239%0.392CS..THydrogen-bonded Turntrans-87.64.3-177.6-62.6-57.2144.900114.2S359 L360 K361 D365 S366 I369S359-E363 WeakPolarHBondContact O-CG 3.44Å; S359-E363 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-N 3.14Å; L360-E363 PolarHBondContact O-N 2.94Å; K361-E363 VanDerWaalsContact C-N 3.29Å; K361-E363 PolarHBondContact O-N 3.05Å; E363-D365 PolarHBondContact O-N 3.41Å; E363-S366 WeakPolarHBondContact O-CB 3.38Å; E363-S366 PolarHBondContact O-N 2.95Å; E363-S366 WeakPolarHBondContact OE2-CB 3.49Å; E363-S366 PolarHBondContact OE2-OG 2.92Å; E363-I369 HydrophobicContact CB-CD1 3.79Å; E363-I369 HydrophobicContact CB-CG1 4.45Å; E363-I369 HydrophobicContact CG-CD1 3.55Å; E363-I369 HydrophobicContact CG-CG1 4.46Å
364F92.4Very high86.3Confident20 Ų2068.1 Ų68.19%0.08836%0.362CS..THydrogen-bonded Turntrans-65.9130.3173177.3-112.1000110.5L360 K361 K362 S366 I381 V383 R418 L421 E422 Y425L360-F364 PolarHBondContact O-N 3.16Å; K361-F364 PolarHBondContact O-N 3.26Å; K362-F364 VanDerWaalsContact C-N 3.33Å; F364-S366 PolarHBondContact O-N 3.04Å; F364-I381 HydrophobicContact CE2-CG2 4.37Å; F364-I381 HydrophobicContact CZ-CG2 4.2Å; F364-V383 HydrophobicContact CD2-CG1 4.49Å; F364-V383 HydrophobicContact CE2-CG1 4.11Å; F364-R418 HydrophobicContact CE1-CG 4.2Å; F364-R418 HydrophobicContact CZ-CG 4.07Å; F364-L421 HydrophobicContact CE2-CB 3.74Å; F364-L421 HydrophobicContact CZ-CB 4.03Å; F364-E422 HydrophobicContact CD1-CB 4.14Å; F364-E422 HydrophobicContact CD1-CG 3.93Å; F364-E422 HydrophobicContact CE1-CB 3.54Å; F364-E422 HydrophobicContact CE1-CG 3.79Å; F364-E422 HydrophobicContact CE2-CB 4.39Å; F364-E422 HydrophobicContact CZ-CB 3.7Å; F364-E422 HydrophobicContact CZ-CG 4.41Å; F364-Y425 HydrophobicContact CB-CD1 4.06Å; F364-Y425 HydrophobicContact CB-CE1 4.37Å; F364-Y425 HydrophobicContact CB-CG 4.26Å; F364-Y425 HydrophobicContact CD2-CD1 4.32Å; F364-Y425 AromaticContact CD2-CD2 3.64Å; F364-Y425 HydrophobicContact CD2-CD2 3.64Å; F364-Y425 HydrophobicContact CD2-CE1 4.39Å; F364-Y425 AromaticContact CD2-CE2 3.71Å; F364-Y425 HydrophobicContact CD2-CE2 3.71Å; F364-Y425 AromaticContact CD2-CG 3.94Å; F364-Y425 HydrophobicContact CD2-CG 3.94Å; F364-Y425 HydrophobicContact CE2-CD2 4.19Å; F364-Y425 HydrophobicContact CE2-CE2 4.22Å; F364-Y425 HydrophobicContact CG-CG 4.42Å
365D91.9Very high87.9Confident42 Ų4266.8 Ų66.823%0.22536%0.356CS..THydrogen-bonded Turntrans6622.7-178.4-146.611.5000114.2E363 I381 Y382 R418E363-D365 PolarHBondContact O-N 3.41Å; D365-I381 WeakPolarHBondContact OD1-CA 3.32Å; D365-Y382 VanDerWaalsContact CA-O 3.25Å; D365-Y382 WeakPolarHBondContact CA-O 3.4Å; D365-Y382 PolarHBondContact N-O 2.82Å; D365-Y382 PolarHBondContact OD1-N 3.2Å; D365-R418 IonicContact OD2-NE 3.76Å; D365-R418 PolarHBondContact OD2-NE 2.84Å; D365-R418 IonicContact OD2-NH2 3.46Å
366S90.1Very high88.9Confident21 Ų2163.9 Ų63.915%0.14734%0.338CS..  trans-90.9124.7175.7-179.50000111.9E363 F364 E368 S370 Y382E363-S366 WeakPolarHBondContact O-CB 3.38Å; E363-S366 PolarHBondContact O-N 2.95Å; E363-S366 WeakPolarHBondContact OE2-CB 3.49Å; E363-S366 PolarHBondContact OE2-OG 2.92Å; F364-S366 PolarHBondContact O-N 3.04Å; S366-E368 VanDerWaalsContact C-N 3.3Å; S366-E368 PolarHBondContact O-N 3.22Å; S366-S370 WeakPolarHBondContact O-CB 3.35Å; S366-S370 PolarHBondContact O-OG 2.84Å; S366-Y382 WeakPolarHBondContact O-CB 3.38Å
367P89.9Confident89.5Confident83 Ų8363.5 Ų63.554%0.53933%0.332SS..THydrogen-bonded Turntrans-77.5-10.5178.631.6-35.3000114Y382P367-Y382 HydrophobicContact CB-CD1 4.05Å; P367-Y382 HydrophobicContact CB-CD2 4.29Å; P367-Y382 HydrophobicContact CB-CE1 3.92Å; P367-Y382 HydrophobicContact CB-CE2 4.17Å; P367-Y382 HydrophobicContact CB-CG 4.23Å
368E90.1Very high89.9Confident172 Ų17263.6 Ų63.680%0.80434%0.339SS*.THydrogen-bonded Turntrans-74.8-38.1-171.1-66.1-172.8175.400113.6S366S366-E368 VanDerWaalsContact C-N 3.3Å; S366-E368 PolarHBondContact O-N 3.22Å
369I89.1Confident90.6Very high95 Ų9564.9 Ų64.949%0.48734%0.344SS..THydrogen-bonded Turntrans-124.20.1-172.361.1159.4000114E363 H384E363-I369 HydrophobicContact CB-CD1 3.79Å; E363-I369 HydrophobicContact CB-CG1 4.45Å; E363-I369 HydrophobicContact CG-CD1 3.55Å; E363-I369 HydrophobicContact CG-CG1 4.46Å; I369-H384 WeakPolarHBondContact CD1-NE2 3.18Å; I369-H384 WeakPolarHBondContact CG1-NE2 3.38Å; I369-H384 PolarHBondContact O-NE2 3.16Å
370S89.9Confident91Very high28 Ų2864.9 Ų64.920%0.19634%0.343CS..  trans-72.3141.8179.544.90000111.9S366 Y382 V383S366-S370 WeakPolarHBondContact O-CB 3.35Å; S366-S370 PolarHBondContact O-OG 2.84Å; S370-Y382 WeakPolarHBondContact OG-CB 3.3Å; S370-Y382 WeakPolarHBondContact OG-CD1 3.46Å; S370-V383 VanDerWaalsContact CB-O 3.27Å; S370-V383 WeakPolarHBondContact CB-O 3.48Å
371D92Very high91.3Very high74 Ų7462.2 Ų62.240%0.39633%0.329SS..SBendtrans-111.43.8178.963.2-3.5000112.4V383 H384 K385D371-V383 PolarHBondContact N-O 3.4Å; D371-H384 WeakPolarHBondContact OD1-CA 3.49Å; D371-K385 WeakPolarHBondContact O-CE 3.48Å; D371-K385 WeakPolarHBondContact OD1-CG 3.2Å; D371-K385 PolarHBondContact OD1-N 3.3Å; D371-K385 WeakPolarHBondContact OD2-CB 3.47Å
372L93.2Very high91.7Very high5 Ų560 Ų603%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-150.8143.3177.2178.767.6000110.8F374 V383 K385 L388 L399 I407L372-F374 HydrophobicContact CD2-CE2 3.74Å; L372-F374 HydrophobicContact CD2-CZ 4.04Å; L372-F374 HydrophobicContact CG-CE2 4.35Å; L372-V383 HydrophobicContact CB-CG2 4.03Å; L372-V383 HydrophobicContact CD2-CG2 3.98Å; L372-V383 HydrophobicContact CG-CG2 4Å; L372-V383 PolarHBondContact N-O 3Å; L372-V383 WeakPolarHBondContact O-CG2 3.28Å; L372-V383 PolarHBondContact O-N 3.16Å; L372-V383 VanDerWaalsContact O-O 3.07Å; L372-K385 HydrophobicContact CB-CD 4.47Å; L372-K385 HydrophobicContact CB-CG 3.76Å; L372-K385 HydrophobicContact CD2-CG 4.15Å; L372-K385 HydrophobicContact CG-CG 4.46Å; L372-L388 HydrophobicContact CD2-CD1 3.81Å; L372-L399 HydrophobicContact CD1-CD2 4.49Å; L372-L399 HydrophobicContact CD2-CD1 4.15Å; L372-L399 HydrophobicContact CD2-CD2 3.86Å; L372-I407 HydrophobicContact CD1-CD1 3.88Å; L372-I407 HydrophobicContact CD1-CG1 4.05Å; L372-I407 HydrophobicContact CD2-CD1 4.23Å
373K94Very high92.1Very high74 Ų7453.1 Ų53.132%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-128.2141.2168.260.7179.9178.6-177.20112.5I381 Y382 D405 V406 I407K373-I381 CarbonylContact C-O 3.55Å; K373-I381 VanDerWaalsContact CA-O 3.28Å; K373-I381 WeakPolarHBondContact CA-O 3.4Å; K373-Y382 HydrophobicContact CB-CD1 4.13Å; K373-Y382 HydrophobicContact CB-CE1 4.33Å; K373-Y382 HydrophobicContact CD-CE1 4.24Å; K373-D405 WeakPolarHBondContact CG-O 3.39Å; K373-D405 PolarHBondContact N-O 3.33Å; K373-V406 HydrophobicContact CD-CG2 4.23Å; K373-V406 HydrophobicContact CG-CB 4.37Å; K373-V406 HydrophobicContact CG-CG1 4.23Å; K373-V406 HydrophobicContact CG-CG2 3.98Å; K373-V406 WeakPolarHBondContact O-CA 3.34Å; K373-I407 PolarHBondContact O-N 2.81Å
374F94.1Very high92.2Very high0 Ų052.2 Ų52.20%028%0.284CS..EExtended strand (participates in β ladder)trans-98.8132169.7-74.3-85.3000110.1L372 V376 C380 I381 V383 L388 F395 I407 I409 Y417 L421L372-F374 HydrophobicContact CD2-CE2 3.74Å; L372-F374 HydrophobicContact CD2-CZ 4.04Å; L372-F374 HydrophobicContact CG-CE2 4.35Å; F374-V376 HydrophobicContact CB-CG2 4.35Å; F374-C380 CarbonylContact O-C 3.48Å; F374-C380 VanDerWaalsContact O-CA 3.29Å; F374-C380 WeakPolarHBondContact O-CA 3.45Å; F374-I381 PolarHBondContact N-O 3.04Å; F374-I381 PolarHBondContact O-N 2.85Å; F374-V383 HydrophobicContact CD2-CG2 3.75Å; F374-V383 HydrophobicContact CE2-CG2 3.77Å; F374-L388 HydrophobicContact CE2-CD1 3.81Å; F374-L388 HydrophobicContact CZ-CD1 4.33Å; F374-F395 HydrophobicContact CE1-CE1 4.02Å; F374-F395 HydrophobicContact CE1-CZ 4.36Å; F374-F395 HydrophobicContact CE2-CZ 4.41Å; F374-F395 HydrophobicContact CZ-CD1 4.29Å; F374-F395 AromaticContact CZ-CE1 3.52Å; F374-F395 HydrophobicContact CZ-CE1 3.52Å; F374-F395 AromaticContact CZ-CZ 3.76Å; F374-F395 HydrophobicContact CZ-CZ 3.76Å; F374-I407 CarbonylContact C-O 3.55Å; F374-I407 VanDerWaalsContact CA-O 3.31Å; F374-I407 WeakPolarHBondContact CA-O 3.28Å; F374-I407 HydrophobicContact CD1-CB 3.69Å; F374-I407 HydrophobicContact CD1-CG2 3.82Å; F374-I407 HydrophobicContact CE1-CB 3.66Å; F374-I407 HydrophobicContact CE1-CD1 3.88Å; F374-I407 HydrophobicContact CE1-CG1 4.36Å; F374-I407 HydrophobicContact CE1-CG2 3.61Å; F374-I407 HydrophobicContact CZ-CD1 4.04Å; F374-I409 HydrophobicContact CD1-CD1 4.2Å; F374-I409 HydrophobicContact CD1-CG1 3.75Å; F374-I409 HydrophobicContact CE1-CD1 4.33Å; F374-I409 HydrophobicContact CE1-CG1 4.36Å; F374-Y417 HydrophobicContact CB-CE1 4.26Å; F374-Y417 AromaticContact CD1-CE1 3.7Å; F374-Y417 HydrophobicContact CD1-CE1 3.7Å; F374-Y417 HydrophobicContact CD2-CE1 4.35Å; F374-Y417 HydrophobicContact CE1-CE1 4.06Å; F374-Y417 AromaticContact CG-CE1 3.85Å; F374-Y417 HydrophobicContact CG-CE1 3.85Å; F374-L421 HydrophobicContact CB-CD1 4.48Å; F374-L421 HydrophobicContact CD2-CD1 3.73Å; F374-L421 HydrophobicContact CD2-CD2 4.3Å; F374-L421 HydrophobicContact CE2-CD1 4.31Å; F374-L421 HydrophobicContact CE2-CD2 4.03Å; F374-L421 HydrophobicContact CG-CD1 4.28Å
375L94.4Very high92.2Very high49 Ų4953 Ų5326%0.25729%0.287SS..EExtended strand (participates in β ladder)trans-100.1109.8172.2-173.768.9000109K379 V406 I407 E408 I409L375-K379 WeakPolarHBondContact CA-O 3.23Å; L375-V406 HydrophobicContact CB-CG1 4.5Å; L375-I407 PolarHBondContact N-O 2.98Å; L375-E408 HydrophobicContact CB-CG 4.35Å; L375-E408 HydrophobicContact CD2-CG 4.22Å; L375-I409 PolarHBondContact O-N 2.87Å
376V93.9Very high92.1Very high0 Ų054 Ų540%030%0.301CS..EExtended strand (participates in β ladder)trans-126.7124.4-179-168.10000108.1F374 G378 K379 I381 I409 F412 Y414 Y417F374-V376 HydrophobicContact CB-CG2 4.35Å; V376-G378 PolarHBondContact O-N 2.74Å; V376-G378 VanDerWaalsContact O-N 3.12Å; V376-K379 PolarHBondContact N-O 3.13Å; V376-K379 PolarHBondContact O-N 2.96Å; V376-I381 HydrophobicContact CG2-CD1 4.01Å; V376-I409 HydrophobicContact CG2-CB 3.99Å; V376-I409 HydrophobicContact CG2-CG1 4.43Å; V376-I409 HydrophobicContact CG2-CG2 4.49Å; V376-F412 WeakPolarHBondContact CG1-O 3.5Å; V376-Y414 HydrophobicContact CB-CD2 4.27Å; V376-Y417 HydrophobicContact CG2-CD1 3.75Å; V376-Y417 HydrophobicContact CG2-CG 4.05Å
377D90.3Very high92.2Very high106 Ų10654.1 Ų54.157%0.56730%0.3SS*.THydrogen-bonded Turntrans5036.1-177.3-59.1-33.2000113.8K379 S413 Y414D377-K379 PolarHBondContact O-N 2.83Å; D377-S413 WeakPolarHBondContact OD2-CA 3.11Å; D377-Y414 PolarHBondContact OD2-N 2.93Å
378G87.4Confident92.3Very high67 Ų6750.1 Ų50.169%0.69127%0.274SS*.THydrogen-bonded Turntrans74.45.8-177.600000115.4V376V376-G378 PolarHBondContact O-N 2.74Å; V376-G378 VanDerWaalsContact O-N 3.12Å
379K92.8Very high92.4Very high118 Ų11844.6 Ų44.651%0.51325%0.247SC..EExtended strand (participates in β ladder)trans-107.5140.9175.8-64177.5-177.4176.40110.8L375 V376 D377 Y414L375-K379 WeakPolarHBondContact CA-O 3.23Å; V376-K379 PolarHBondContact N-O 3.13Å; V376-K379 PolarHBondContact O-N 2.96Å; D377-K379 PolarHBondContact O-N 2.83Å; K379-Y414 HydrophobicContact CB-CD2 3.46Å; K379-Y414 VanDerWaalsContact CB-CD2 3.46Å; K379-Y414 HydrophobicContact CB-CE2 3.4Å; K379-Y414 VanDerWaalsContact CB-CE2 3.4Å; K379-Y414 HydrophobicContact CB-CG 4.31Å; K379-Y414 HydrophobicContact CD-CD1 3.97Å; K379-Y414 HydrophobicContact CD-CD2 3.79Å; K379-Y414 HydrophobicContact CD-CE1 4.08Å; K379-Y414 HydrophobicContact CD-CE2 3.9Å; K379-Y414 HydrophobicContact CD-CG 3.81Å; K379-Y414 HydrophobicContact CG-CD2 4.24Å; K379-Y414 HydrophobicContact CG-CE2 4.31Å
380C93.1Very high92.4Very high43 Ų4346 Ų4629%0.29125%0.254SS..EExtended strand (participates in β ladder)trans-90.8140177.5-66.30000110.8F374 Y382F374-C380 CarbonylContact O-C 3.48Å; F374-C380 VanDerWaalsContact O-CA 3.29Å; F374-C380 WeakPolarHBondContact O-CA 3.45Å; C380-Y382 HydrophobicContact CB-CE2 4.07Å
381I94.9Very high92.5Very high0 Ų048.5 Ų48.50%026%0.259CS..EExtended strand (participates in β ladder)trans-121.2121.1169.6-52.5166.9000108.1F364 D365 K373 F374 V376 V383 Y414 R418 L421F364-I381 HydrophobicContact CE2-CG2 4.37Å; F364-I381 HydrophobicContact CZ-CG2 4.2Å; D365-I381 WeakPolarHBondContact OD1-CA 3.32Å; K373-I381 CarbonylContact C-O 3.55Å; K373-I381 VanDerWaalsContact CA-O 3.28Å; K373-I381 WeakPolarHBondContact CA-O 3.4Å; F374-I381 PolarHBondContact N-O 3.04Å; F374-I381 PolarHBondContact O-N 2.85Å; V376-I381 HydrophobicContact CG2-CD1 4.01Å; I381-V383 HydrophobicContact CG2-CG1 4.32Å; I381-Y414 HydrophobicContact CD1-CD2 4.02Å; I381-Y414 HydrophobicContact CD1-CE2 3.81Å; I381-Y414 HydrophobicContact CG1-CD2 4.11Å; I381-Y414 HydrophobicContact CG1-CE2 3.46Å; I381-Y414 VanDerWaalsContact CG1-CE2 3.46Å; I381-R418 HydrophobicContact CD1-CB 3.74Å; I381-R418 HydrophobicContact CD1-CG 4.27Å; I381-L421 HydrophobicContact CB-CD1 4.2Å; I381-L421 HydrophobicContact CD1-CD1 4.17Å; I381-L421 HydrophobicContact CG2-CD1 3.77Å
382Y94.8Very high92.4Very high72 Ų7245 Ų4528%0.28224%0.241SC..EExtended strand (participates in β ladder)trans-93.1130.2-174.3-63.9-86.6000112.3D365 S366 P367 S370 K373 C380D365-Y382 VanDerWaalsContact CA-O 3.25Å; D365-Y382 WeakPolarHBondContact CA-O 3.4Å; D365-Y382 PolarHBondContact N-O 2.82Å; D365-Y382 PolarHBondContact OD1-N 3.2Å; S366-Y382 WeakPolarHBondContact O-CB 3.38Å; P367-Y382 HydrophobicContact CB-CD1 4.05Å; P367-Y382 HydrophobicContact CB-CD2 4.29Å; P367-Y382 HydrophobicContact CB-CE1 3.92Å; P367-Y382 HydrophobicContact CB-CE2 4.17Å; P367-Y382 HydrophobicContact CB-CG 4.23Å; S370-Y382 WeakPolarHBondContact OG-CB 3.3Å; S370-Y382 WeakPolarHBondContact OG-CD1 3.46Å; K373-Y382 HydrophobicContact CB-CD1 4.13Å; K373-Y382 HydrophobicContact CB-CE1 4.33Å; K373-Y382 HydrophobicContact CD-CE1 4.24Å; C380-Y382 HydrophobicContact CB-CE2 4.07Å
383V94.8Very high92.1Very high0 Ų050.8 Ų50.80%027%0.268CS..EExtended strand (participates in β ladder)trans-148.8173-171.5-670000113.1F364 S370 D371 L372 F374 I381 L388 L421 Y425F364-V383 HydrophobicContact CD2-CG1 4.49Å; F364-V383 HydrophobicContact CE2-CG1 4.11Å; S370-V383 VanDerWaalsContact CB-O 3.27Å; S370-V383 WeakPolarHBondContact CB-O 3.48Å; D371-V383 PolarHBondContact N-O 3.4Å; L372-V383 HydrophobicContact CB-CG2 4.03Å; L372-V383 HydrophobicContact CD2-CG2 3.98Å; L372-V383 HydrophobicContact CG-CG2 4Å; L372-V383 PolarHBondContact N-O 3Å; L372-V383 WeakPolarHBondContact O-CG2 3.28Å; L372-V383 PolarHBondContact O-N 3.16Å; L372-V383 VanDerWaalsContact O-O 3.07Å; F374-V383 HydrophobicContact CD2-CG2 3.75Å; F374-V383 HydrophobicContact CE2-CG2 3.77Å; I381-V383 HydrophobicContact CG2-CG1 4.32Å; V383-L388 HydrophobicContact CB-CD1 4.34Å; V383-L388 HydrophobicContact CG2-CD1 3.86Å; V383-L421 HydrophobicContact CG1-CB 4.38Å; V383-L421 HydrophobicContact CG1-CD1 4.07Å; V383-Y425 VanDerWaalsContact CA-OH 3.3Å; V383-Y425 WeakPolarHBondContact CA-OH 3.16Å; V383-Y425 HydrophobicContact CB-CE2 4.47Å; V383-Y425 HydrophobicContact CG1-CE2 4.18Å
384H93.8Very high91.8Very high28 Ų2850.6 Ų50.613%0.1327%0.268CS..  trans-113.8118.3-176.2-58.285.9000111.2I369 D371 A386 L387 L388 Y425I369-H384 WeakPolarHBondContact CD1-NE2 3.18Å; I369-H384 WeakPolarHBondContact CG1-NE2 3.38Å; I369-H384 PolarHBondContact O-NE2 3.16Å; D371-H384 WeakPolarHBondContact OD1-CA 3.49Å; H384-A386 VanDerWaalsContact C-N 3.29Å; H384-A386 PolarHBondContact O-N 3.28Å; H384-L387 HydrophobicContact CB-CB 4.38Å; H384-L387 PolarHBondContact O-N 3.03Å; H384-L388 PolarHBondContact O-N 3.37Å; H384-Y425 PolarHBondContact N-OH 2.83Å; H384-Y425 AromaticContact ND1-CE1 3.74Å; H384-Y425 AromaticContact ND1-CZ 3.73Å; H384-Y425 PolarHBondContact ND1-OH 3.4Å
385K91.5Very high91.6Very high37 Ų3750.6 Ų50.616%0.16127%0.268CS..Hα-helixtrans-52.9-45.9-178.7-70.3176.1172.7173.40111.1D371 L372 L387 L388 K389 L399 E404 D405D371-K385 WeakPolarHBondContact O-CE 3.48Å; D371-K385 WeakPolarHBondContact OD1-CG 3.2Å; D371-K385 PolarHBondContact OD1-N 3.3Å; D371-K385 WeakPolarHBondContact OD2-CB 3.47Å; L372-K385 HydrophobicContact CB-CD 4.47Å; L372-K385 HydrophobicContact CB-CG 3.76Å; L372-K385 HydrophobicContact CD2-CG 4.15Å; L372-K385 HydrophobicContact CG-CG 4.46Å; K385-L387 PolarHBondContact O-N 3.4Å; K385-L388 PolarHBondContact O-N 2.95Å; K385-K389 VanDerWaalsContact O-CG 3.31Å; K385-K389 WeakPolarHBondContact O-CG 3.11Å; K385-K389 PolarHBondContact O-N 2.8Å; K385-L399 HydrophobicContact CB-CD1 4.32Å; K385-L399 HydrophobicContact CG-CD1 4.35Å; K385-E404 PolarHBondContact NZ-O 3.23Å; K385-D405 IonicContact NZ-OD1 3.24Å; K385-D405 PolarHBondContact NZ-OD1 2.99Å
386A91.1Very high91.3Very high62 Ų6254 Ų5451%0.51228%0.277SS..Hα-helixtrans-57.9-45.1-178.200000112.5H384 K389 I390H384-A386 VanDerWaalsContact C-N 3.29Å; H384-A386 PolarHBondContact O-N 3.28Å; A386-K389 PolarHBondContact O-N 2.63Å; A386-I390 WeakPolarHBondContact O-CD1 3.44Å; A386-I390 VanDerWaalsContact O-CG1 3.24Å; A386-I390 WeakPolarHBondContact O-CG1 3.3Å; A386-I390 PolarHBondContact O-N 2.81Å; A386-I390 VanDerWaalsContact O-N 3.14Å
387L92.1Very high91Very high23 Ų2357.3 Ų57.312%0.1230%0.298CS..Hα-helixtrans-67.6-42.9-178.9-170.668.9000111.3L360 H384 K385 K389 I390 R391 Y425L360-L387 HydrophobicContact CD1-CD1 3.93Å; H384-L387 HydrophobicContact CB-CB 4.38Å; H384-L387 PolarHBondContact O-N 3.03Å; K385-L387 PolarHBondContact O-N 3.4Å; L387-K389 PolarHBondContact O-N 2.98Å; L387-I390 PolarHBondContact O-N 2.92Å; L387-R391 HydrophobicContact CD1-CG 4Å; L387-R391 HydrophobicContact CG-CG 4.14Å; L387-R391 VanDerWaalsContact O-CB 3.31Å; L387-R391 WeakPolarHBondContact O-CB 3.46Å; L387-R391 WeakPolarHBondContact O-CG 3.36Å; L387-R391 PolarHBondContact O-N 3.25Å; L387-Y425 HydrophobicContact CD2-CD1 3.33Å; L387-Y425 HydrophobicContact CD2-CD2 3.59Å; L387-Y425 HydrophobicContact CD2-CE1 3.35Å; L387-Y425 HydrophobicContact CD2-CE2 3.63Å; L387-Y425 HydrophobicContact CD2-CG 3.47Å; L387-Y425 VanDerWaalsContact CD2-CG 3.47Å
388L92.3Very high90.8Very high0 Ų054.6 Ų54.60%028%0.283CS..Hα-helixtrans-61.2-43.9177.2-62.1-179.9000111.8L372 F374 V383 H384 K385 I390 R391 C392 F395 L399 L421 L424L372-L388 HydrophobicContact CD2-CD1 3.81Å; F374-L388 HydrophobicContact CE2-CD1 3.81Å; F374-L388 HydrophobicContact CZ-CD1 4.33Å; V383-L388 HydrophobicContact CB-CD1 4.34Å; V383-L388 HydrophobicContact CG2-CD1 3.86Å; H384-L388 PolarHBondContact O-N 3.37Å; K385-L388 PolarHBondContact O-N 2.95Å; L388-I390 VanDerWaalsContact C-N 3.25Å; L388-I390 PolarHBondContact O-N 2.94Å; L388-R391 PolarHBondContact O-N 3.22Å; L388-C392 PolarHBondContact O-N 2.84Å; L388-F395 HydrophobicContact CB-CB 3.89Å; L388-F395 HydrophobicContact CB-CD2 3.87Å; L388-F395 HydrophobicContact CB-CG 4.09Å; L388-F395 HydrophobicContact CD1-CD2 4.29Å; L388-F395 HydrophobicContact CD1-CE2 4.47Å; L388-F395 HydrophobicContact CD2-CD2 3.98Å; L388-F395 HydrophobicContact CD2-CE2 4.07Å; L388-F395 HydrophobicContact CG-CD2 4.27Å; L388-L399 HydrophobicContact CB-CD1 4.18Å; L388-L399 HydrophobicContact CD1-CD1 4.37Å; L388-L421 HydrophobicContact CD2-CD2 3.9Å; L388-L424 HydrophobicContact CD2-CB 4.43Å; L388-L424 HydrophobicContact CD2-CD1 3.45Å; L388-L424 VanDerWaalsContact CD2-CD1 3.45Å
389K90.6Very high90.8Very high55 Ų5551.8 Ų51.824%0.23925%0.252CS..Hα-helixtrans-63.3-27.4176.2-69.9-175.1178.1-167.40113.7K385 A386 L387 R396 L399 N400K385-K389 VanDerWaalsContact O-CG 3.31Å; K385-K389 WeakPolarHBondContact O-CG 3.11Å; K385-K389 PolarHBondContact O-N 2.8Å; A386-K389 PolarHBondContact O-N 2.63Å; L387-K389 PolarHBondContact O-N 2.98Å; K389-R396 HydrophobicContact CB-CG 4.47Å; K389-R396 PolarHBondContact O-NH1 2.77Å; K389-L399 HydrophobicContact CD-CB 4.39Å; K389-L399 WeakPolarHBondContact CE-O 3.34Å; K389-L399 HydrophobicContact CG-CB 4.21Å; K389-L399 HydrophobicContact CG-CD1 4.16Å; K389-L399 PolarHBondContact NZ-O 2.86Å; K389-N400 WeakPolarHBondContact CE-OD1 3.25Å; K389-N400 PolarHBondContact NZ-OD1 3.21Å
390I90.1Very high90.4Very high125 Ų12551.4 Ų51.464%0.64126%0.256SS*.Hα-helixtrans-80.5-37.7176.6-69.8165.1000110.7A386 L387 L388A386-I390 WeakPolarHBondContact O-CD1 3.44Å; A386-I390 VanDerWaalsContact O-CG1 3.24Å; A386-I390 WeakPolarHBondContact O-CG1 3.3Å; A386-I390 PolarHBondContact O-N 2.81Å; A386-I390 VanDerWaalsContact O-N 3.14Å; L387-I390 PolarHBondContact O-N 2.92Å; L388-I390 VanDerWaalsContact C-N 3.25Å; L388-I390 PolarHBondContact O-N 2.94Å
391R91.1Very high89.7Confident80 Ų8057.5 Ų57.530%0.30228%0.28SS..Hα-helixtrans-99.7-19.2-164.8-64.3-72.7-67.91602.6114.4L387 L388 L424 D427L387-R391 HydrophobicContact CD1-CG 4Å; L387-R391 HydrophobicContact CG-CG 4.14Å; L387-R391 VanDerWaalsContact O-CB 3.31Å; L387-R391 WeakPolarHBondContact O-CB 3.46Å; L387-R391 WeakPolarHBondContact O-CG 3.36Å; L387-R391 PolarHBondContact O-N 3.25Å; L388-R391 PolarHBondContact O-N 3.22Å; R391-L424 HydrophobicContact CB-CB 4.27Å; R391-L424 HydrophobicContact CB-CD2 4.03Å; R391-L424 PolarHBondContact NE-O 3.33Å; R391-D427 IonicContact CZ-OD1 3.97Å; R391-D427 IonicContact NH1-OD1 3.66Å; R391-D427 VanDerWaalsContact NH2-CG 3.3Å; R391-D427 IonicContact NH2-OD1 3.44Å; R391-D427 PolarHBondContact NH2-OD1 2.92Å; R391-D427 IonicContact NH2-OD2 2.79Å
392C89.6Confident88.6Confident1 Ų159.6 Ų59.61%0.00729%0.293CS..  trans-139.5121.3-179.3-1760000110.8L388 H394 F395 R396 L424 E448L388-C392 PolarHBondContact O-N 2.84Å; C392-H394 VanDerWaalsContact C-N 3.27Å; C392-H394 PolarHBondContact O-N 3.44Å; C392-F395 HydrophobicContact CB-CB 4.31Å; C392-F395 HydrophobicContact CB-CD2 3.71Å; C392-F395 HydrophobicContact CB-CG 4.37Å; C392-F395 PolarHBondContact O-N 2.87Å; C392-R396 PolarHBondContact O-N 2.97Å; C392-L424 HydrophobicContact CB-CD1 4.2Å; C392-L424 HydrophobicContact CB-CD2 4.17Å; C392-E448 WeakPolarHBondContact CA-OE1 3.18Å; C392-E448 PolarHBondContact SG-OE1 3.47Å
393E87.1Confident87.7Confident127 Ų12764 Ų6459%0.59332%0.321SS*.Hα-helixtrans-64.7-33.6-177.5-167.163.3-165.100111.9F395 R396 T397E393-F395 PolarHBondContact O-N 3.46Å; E393-R396 VanDerWaalsContact O-CB 3.29Å; E393-R396 WeakPolarHBondContact O-CB 3.47Å; E393-R396 PolarHBondContact O-N 2.84Å; E393-R396 WeakPolarHBondContact OE2-CD 3.3Å; E393-T397 PolarHBondContact O-N 2.85Å; E393-T397 VanDerWaalsContact O-N 3.09Å; E393-T397 PolarHBondContact O-OG1 3.43Å
394H88Confident87.1Confident69 Ų6969.9 Ų69.932%0.31935%0.349SS..Hα-helixtrans-61.7-44.1175.5-179.881.3000112.1C392 R396 T397 L398 Y446C392-H394 VanDerWaalsContact C-N 3.27Å; C392-H394 PolarHBondContact O-N 3.44Å; H394-R396 VanDerWaalsContact C-N 3.3Å; H394-T397 PolarHBondContact O-N 2.83Å; H394-T397 PolarHBondContact O-OG1 2.87Å; H394-L398 WeakPolarHBondContact O-CB 3.34Å; H394-L398 PolarHBondContact O-N 3.42Å; H394-Y446 HydrophobicContact CB-CD1 3.87Å; H394-Y446 AromaticContact CD2-CD1 3.36Å; H394-Y446 WeakPolarHBondContact CD2-CD1 2.99Å; H394-Y446 AromaticContact CD2-CE1 3.19Å; H394-Y446 WeakPolarHBondContact CD2-CE1 2.69Å; H394-Y446 AromaticContact CE1-CE1 3.96Å; H394-Y446 AromaticContact CG-CD1 3.42Å; H394-Y446 VanDerWaalsContact CG-CD1 3.42Å; H394-Y446 AromaticContact CG-CE1 3.76Å; H394-Y446 AromaticContact ND1-CD1 3.92Å; H394-Y446 AromaticContact NE2-CD1 3.85Å; H394-Y446 AromaticContact NE2-CE1 3.35Å; H394-Y446 VanDerWaalsContact NE2-CE1 3.35Å; H394-Y446 WeakPolarHBondContact NE2-CE1 3.43Å
395F89.8Confident86.6Confident1 Ų173.3 Ų73.30%0.00437%0.368CS..Hα-helixtrans-70.8-29.4175.5-70.6-44.8000112.4F374 L388 C392 E393 T397 L398 L399 Y417 F420 L421 L424F374-F395 HydrophobicContact CE1-CE1 4.02Å; F374-F395 HydrophobicContact CE1-CZ 4.36Å; F374-F395 HydrophobicContact CE2-CZ 4.41Å; F374-F395 HydrophobicContact CZ-CD1 4.29Å; F374-F395 AromaticContact CZ-CE1 3.52Å; F374-F395 HydrophobicContact CZ-CE1 3.52Å; F374-F395 AromaticContact CZ-CZ 3.76Å; F374-F395 HydrophobicContact CZ-CZ 3.76Å; L388-F395 HydrophobicContact CB-CB 3.89Å; L388-F395 HydrophobicContact CB-CD2 3.87Å; L388-F395 HydrophobicContact CB-CG 4.09Å; L388-F395 HydrophobicContact CD1-CD2 4.29Å; L388-F395 HydrophobicContact CD1-CE2 4.47Å; L388-F395 HydrophobicContact CD2-CD2 3.98Å; L388-F395 HydrophobicContact CD2-CE2 4.07Å; L388-F395 HydrophobicContact CG-CD2 4.27Å; C392-F395 HydrophobicContact CB-CB 4.31Å; C392-F395 HydrophobicContact CB-CD2 3.71Å; C392-F395 HydrophobicContact CB-CG 4.37Å; C392-F395 PolarHBondContact O-N 2.87Å; E393-F395 PolarHBondContact O-N 3.46Å; F395-T397 VanDerWaalsContact C-N 3.32Å; F395-T397 PolarHBondContact O-N 3.04Å; F395-L398 HydrophobicContact CD1-CD2 4.13Å; F395-L398 HydrophobicContact CE1-CD2 4.42Å; F395-L399 HydrophobicContact CB-CD1 4.19Å; F395-L399 VanDerWaalsContact O-CB 3.25Å; F395-L399 WeakPolarHBondContact O-CB 3.31Å; F395-L399 WeakPolarHBondContact O-CG 3.3Å; F395-L399 PolarHBondContact O-N 2.96Å; F395-Y417 WeakPolarHBondContact CZ-OH 3.38Å; F395-F420 HydrophobicContact CE2-CD1 4.45Å; F395-F420 AromaticContact CE2-CE1 3.48Å; F395-F420 HydrophobicContact CE2-CE1 3.48Å; F395-F420 VanDerWaalsContact CE2-CE1 3.48Å; F395-F420 HydrophobicContact CE2-CZ 4.02Å; F395-F420 AromaticContact CZ-CE1 3.77Å; F395-F420 HydrophobicContact CZ-CE1 3.77Å; F395-L421 HydrophobicContact CE2-CD2 4.01Å; F395-L421 HydrophobicContact CZ-CD2 4.16Å; F395-L424 HydrophobicContact CD2-CD1 3.99Å; F395-L424 HydrophobicContact CE2-CD1 3.79Å
396R88.7Confident86.5Confident120 Ų12074.2 Ų74.245%0.45338%0.376SS..Hα-helixtrans-59.4-42.8172.8-165-177.8-178.395.1-1.2111.9K389 C392 E393 H394 N400K389-R396 HydrophobicContact CB-CG 4.47Å; K389-R396 PolarHBondContact O-NH1 2.77Å; C392-R396 PolarHBondContact O-N 2.97Å; E393-R396 VanDerWaalsContact O-CB 3.29Å; E393-R396 WeakPolarHBondContact O-CB 3.47Å; E393-R396 PolarHBondContact O-N 2.84Å; E393-R396 WeakPolarHBondContact OE2-CD 3.3Å; H394-R396 VanDerWaalsContact C-N 3.3Å; R396-N400 PolarHBondContact O-ND2 2.86Å
397T88Confident86.4Confident70 Ų7072.2 Ų72.243%0.42936%0.357SS..Hα-helixtrans-74.2-49.1176.153.90000111.6E393 H394 F395 L399 N400E393-T397 PolarHBondContact O-N 2.85Å; E393-T397 VanDerWaalsContact O-N 3.09Å; E393-T397 PolarHBondContact O-OG1 3.43Å; H394-T397 PolarHBondContact O-N 2.83Å; H394-T397 PolarHBondContact O-OG1 2.87Å; F395-T397 VanDerWaalsContact C-N 3.32Å; F395-T397 PolarHBondContact O-N 3.04Å; T397-L399 PolarHBondContact O-N 3.22Å; T397-N400 PolarHBondContact O-N 2.97Å
398L86.6Confident86.4Confident49 Ų4976.7 Ų76.726%0.25738%0.377SS..Hα-helixtrans-58.8-48.4-175.5-178.668.5000112.6H394 F395 N400 E401 T402 I407H394-L398 WeakPolarHBondContact O-CB 3.34Å; H394-L398 PolarHBondContact O-N 3.42Å; F395-L398 HydrophobicContact CD1-CD2 4.13Å; F395-L398 HydrophobicContact CE1-CD2 4.42Å; L398-N400 PolarHBondContact O-N 3.39Å; L398-E401 PolarHBondContact O-N 2.98Å; L398-T402 PolarHBondContact O-N 3.31Å; L398-T402 PolarHBondContact O-OG1 3.33Å; L398-I407 HydrophobicContact CD2-CD1 4.22Å
399L86.3Confident86.3Confident8 Ų877.4 Ų77.44%0.04238%0.381CS..Hα-helixtrans-81.70.8-175.1-62.5173000113.4L372 K385 L388 K389 F395 T397 I407L372-L399 HydrophobicContact CD1-CD2 4.49Å; L372-L399 HydrophobicContact CD2-CD1 4.15Å; L372-L399 HydrophobicContact CD2-CD2 3.86Å; K385-L399 HydrophobicContact CB-CD1 4.32Å; K385-L399 HydrophobicContact CG-CD1 4.35Å; L388-L399 HydrophobicContact CB-CD1 4.18Å; L388-L399 HydrophobicContact CD1-CD1 4.37Å; K389-L399 HydrophobicContact CD-CB 4.39Å; K389-L399 WeakPolarHBondContact CE-O 3.34Å; K389-L399 HydrophobicContact CG-CB 4.21Å; K389-L399 HydrophobicContact CG-CD1 4.16Å; K389-L399 PolarHBondContact NZ-O 2.86Å; F395-L399 HydrophobicContact CB-CD1 4.19Å; F395-L399 VanDerWaalsContact O-CB 3.25Å; F395-L399 WeakPolarHBondContact O-CB 3.31Å; F395-L399 WeakPolarHBondContact O-CG 3.3Å; F395-L399 PolarHBondContact O-N 2.96Å; T397-L399 PolarHBondContact O-N 3.22Å; L399-I407 HydrophobicContact CD2-CD1 3.78Å
400N83.8Confident86.2Confident110 Ų11082 Ų8259%0.58840%0.403SS*.Hα-helixtrans-92.4-19.7167.8-77.3-12.8000111.9K389 R396 T397 L398K389-N400 WeakPolarHBondContact CE-OD1 3.25Å; K389-N400 PolarHBondContact NZ-OD1 3.21Å; R396-N400 PolarHBondContact O-ND2 2.86Å; T397-N400 PolarHBondContact O-N 2.97Å; L398-N400 PolarHBondContact O-N 3.39Å
401E78.8Confident86Confident170 Ų17082.2 Ų82.279%0.79440%0.401SS*.Hα-helixtrans-98.8-14.4-178.5-65.6-179.4172.900112.8L398L398-E401 PolarHBondContact O-N 2.98Å
402T72.9Confident85.9Confident44 Ų4479.4 Ų79.427%0.2739%0.391SS..  trans-125.9132.3-173.452.20000111.7L398L398-T402 PolarHBondContact O-N 3.31Å; L398-T402 PolarHBondContact O-OG1 3.33Å
403D75.8Confident85.9Confident165 Ų16581.8 Ų81.888%0.88241%0.408SS*.  trans-97.412.6173.3-89.3-20000112.2
404E81.4Confident86.1Confident123 Ų12377.7 Ų77.758%0.57539%0.387SS*.  trans-73.7139.8179.4-64.7-173.1169.600111.6K385K385-E404 PolarHBondContact NZ-O 3.23Å
405D82.8Confident86.1Confident100 Ų10079 Ų7954%0.53540%0.396SS..SBendtrans-95.2-3.5174.8-61.3-31.7000112.1K373 K385K373-D405 WeakPolarHBondContact CG-O 3.39Å; K373-D405 PolarHBondContact N-O 3.33Å; K385-D405 IonicContact NZ-OD1 3.24Å; K385-D405 PolarHBondContact NZ-OD1 2.99Å
406V89.3Confident86.2Confident56 Ų5679.2 Ų79.234%0.33940%0.398SS..EExtended strand (participates in β ladder)trans-133.1122.6179.4-168.60000109.4K373 L375K373-V406 HydrophobicContact CD-CG2 4.23Å; K373-V406 HydrophobicContact CG-CB 4.37Å; K373-V406 HydrophobicContact CG-CG1 4.23Å; K373-V406 HydrophobicContact CG-CG2 3.98Å; K373-V406 WeakPolarHBondContact O-CA 3.34Å; L375-V406 HydrophobicContact CB-CG1 4.5Å
407I90.1Very high86.3Confident21 Ų2173.5 Ų73.511%0.10838%0.376CS..EExtended strand (participates in β ladder)trans-117.1122.9176-61.6171.5000109.1L372 K373 F374 L375 L398 L399 I409L372-I407 HydrophobicContact CD1-CD1 3.88Å; L372-I407 HydrophobicContact CD1-CG1 4.05Å; L372-I407 HydrophobicContact CD2-CD1 4.23Å; K373-I407 PolarHBondContact O-N 2.81Å; F374-I407 CarbonylContact C-O 3.55Å; F374-I407 VanDerWaalsContact CA-O 3.31Å; F374-I407 WeakPolarHBondContact CA-O 3.28Å; F374-I407 HydrophobicContact CD1-CB 3.69Å; F374-I407 HydrophobicContact CD1-CG2 3.82Å; F374-I407 HydrophobicContact CE1-CB 3.66Å; F374-I407 HydrophobicContact CE1-CD1 3.88Å; F374-I407 HydrophobicContact CE1-CG1 4.36Å; F374-I407 HydrophobicContact CE1-CG2 3.61Å; F374-I407 HydrophobicContact CZ-CD1 4.04Å; L375-I407 PolarHBondContact N-O 2.98Å; L398-I407 HydrophobicContact CD2-CD1 4.22Å; L399-I407 HydrophobicContact CD2-CD1 3.78Å; I407-I409 HydrophobicContact CG2-CD1 4.13Å
408E90.8Very high86.6Confident117 Ų11773.7 Ų73.755%0.54737%0.369SS..EExtended strand (participates in β ladder)trans-87.2133.4176.9-60.6-169.3170.200111.9L375 H410L375-E408 HydrophobicContact CB-CG 4.35Å; L375-E408 HydrophobicContact CD2-CG 4.22Å; E408-H410 IonicContact OE2-CE1 2.69Å; E408-H410 PolarHBondContact OE2-CE1 3.46Å; E408-H410 IonicContact OE2-NE2 3.73Å; E408-H410 PolarHBondContact OE2-NE2 3.25Å
409I90.6Very high86.8Confident15 Ų1571.6 Ų71.68%0.07736%0.359CS..EExtended strand (participates in β ladder)trans-124.1117.1178.3-58.4-67.6000108.7F374 L375 V376 I407 F412 Y417F374-I409 HydrophobicContact CD1-CD1 4.2Å; F374-I409 HydrophobicContact CD1-CG1 3.75Å; F374-I409 HydrophobicContact CE1-CD1 4.33Å; F374-I409 HydrophobicContact CE1-CG1 4.36Å; L375-I409 PolarHBondContact O-N 2.87Å; V376-I409 HydrophobicContact CG2-CB 3.99Å; V376-I409 HydrophobicContact CG2-CG1 4.43Å; V376-I409 HydrophobicContact CG2-CG2 4.49Å; I407-I409 HydrophobicContact CG2-CD1 4.13Å; I409-F412 HydrophobicContact CG2-CD2 4.3Å; I409-Y417 HydrophobicContact CD1-CE1 4.4Å; I409-Y417 HydrophobicContact CD1-CE2 4.12Å; I409-Y417 WeakPolarHBondContact CD1-OH 3.31Å; I409-Y417 HydrophobicContact CG1-CD1 4.42Å; I409-Y417 HydrophobicContact CG1-CE1 3.84Å; I409-Y417 HydrophobicContact CG1-CE2 4.08Å; I409-Y417 HydrophobicContact CG2-CD2 3.81Å; I409-Y417 HydrophobicContact CG2-CE2 3.81Å; I409-Y417 HydrophobicContact CG2-CG 4.27Å
410H88.1Confident87.1Confident150 Ų15071.2 Ų71.269%0.69436%0.357SS*.  trans-109.6-5.7-178.2-59.3-66000113.1E408E408-H410 IonicContact OE2-CE1 2.69Å; E408-H410 PolarHBondContact OE2-CE1 3.46Å; E408-H410 IonicContact OE2-NE2 3.73Å; E408-H410 PolarHBondContact OE2-NE2 3.25Å
411Q86.1Confident87.6Confident131 Ų13166 Ų6661%0.61233%0.329SS*.SBendtrans-93.5-22.2-168.2-67158.7500113.4
412F88.7Confident88.2Confident20 Ų2059.7 Ų59.79%0.08830%0.299CS..SBendtrans-132.6148-173.5-59.5-74.3000109.8V376 I409 Y417 L442 F445V376-F412 WeakPolarHBondContact CG1-O 3.5Å; I409-F412 HydrophobicContact CG2-CD2 4.3Å; F412-Y417 HydrophobicContact CB-CD2 4.03Å; F412-Y417 AromaticContact CD2-CD2 3.99Å; F412-Y417 HydrophobicContact CD2-CD2 3.99Å; F412-Y417 HydrophobicContact CD2-CE2 4.17Å; F412-Y417 HydrophobicContact CG-CD2 4.33Å; F412-L442 HydrophobicContact CB-CD1 4.49Å; F412-L442 HydrophobicContact CD1-CB 4.11Å; F412-L442 HydrophobicContact CD1-CD1 4.31Å; F412-L442 HydrophobicContact CD2-CD1 4.1Å; F412-L442 HydrophobicContact CE1-CB 3.82Å; F412-L442 HydrophobicContact CE1-CG 4.41Å; F412-L442 HydrophobicContact CE2-CD1 4.44Å; F412-L442 HydrophobicContact CE2-CG 4.36Å; F412-L442 HydrophobicContact CG-CD1 4.04Å; F412-L442 HydrophobicContact CZ-CB 4.1Å; F412-L442 HydrophobicContact CZ-CG 4.31Å; F412-F445 HydrophobicContact CE2-CD1 4.31Å; F412-F445 HydrophobicContact CZ-CB 4.16Å; F412-F445 HydrophobicContact CZ-CD1 4.34Å; F412-F445 HydrophobicContact CZ-CG 4.16Å
413S89.8Confident89.2Confident51 Ų5157.9 Ų57.936%0.35729%0.288SS..  trans-67.5154.517670.80000111.2D377 L415 V416 Y417D377-S413 WeakPolarHBondContact OD2-CA 3.11Å; S413-L415 VanDerWaalsContact C-N 3.25Å; S413-L415 PolarHBondContact O-N 2.81Å; S413-V416 PolarHBondContact O-N 3.45Å; S413-V416 WeakPolarHBondContact OG-CG2 3.4Å; S413-Y417 PolarHBondContact O-N 2.73Å
414Y90.9Very high89.9Confident41 Ų4150.1 Ų50.116%0.16125%0.246CC..Hα-helixtrans-50.8-44.2176.3176.3-95.5000113V376 D377 K379 I381 R418V376-Y414 HydrophobicContact CB-CD2 4.27Å; D377-Y414 PolarHBondContact OD2-N 2.93Å; K379-Y414 HydrophobicContact CB-CD2 3.46Å; K379-Y414 VanDerWaalsContact CB-CD2 3.46Å; K379-Y414 HydrophobicContact CB-CE2 3.4Å; K379-Y414 VanDerWaalsContact CB-CE2 3.4Å; K379-Y414 HydrophobicContact CB-CG 4.31Å; K379-Y414 HydrophobicContact CD-CD1 3.97Å; K379-Y414 HydrophobicContact CD-CD2 3.79Å; K379-Y414 HydrophobicContact CD-CE1 4.08Å; K379-Y414 HydrophobicContact CD-CE2 3.9Å; K379-Y414 HydrophobicContact CD-CG 3.81Å; K379-Y414 HydrophobicContact CG-CD2 4.24Å; K379-Y414 HydrophobicContact CG-CE2 4.31Å; I381-Y414 HydrophobicContact CD1-CD2 4.02Å; I381-Y414 HydrophobicContact CD1-CE2 3.81Å; I381-Y414 HydrophobicContact CG1-CD2 4.11Å; I381-Y414 HydrophobicContact CG1-CE2 3.46Å; I381-Y414 VanDerWaalsContact CG1-CE2 3.46Å; Y414-R418 WeakPolarHBondContact O-CB 3.26Å; Y414-R418 PolarHBondContact O-N 2.85Å
415L89.4Confident90.4Very high96 Ų9644.9 Ų44.950%0.50322%0.221SC..Hα-helixtrans-63.6-44.8-177.5-67.7177.2000112S413 A419S413-L415 VanDerWaalsContact C-N 3.25Å; S413-L415 PolarHBondContact O-N 2.81Å; L415-A419 WeakPolarHBondContact O-CB 3.32Å; L415-A419 PolarHBondContact O-N 2.81Å; L415-A419 VanDerWaalsContact O-N 3.09Å
416V90.3Very high90.7Very high7 Ų741 Ų414%0.04220%0.201CC..Hα-helixtrans-66.9-47.2180169.90000110.6S413 A419 F420 G438 L439 L442S413-V416 PolarHBondContact O-N 3.45Å; S413-V416 WeakPolarHBondContact OG-CG2 3.4Å; V416-A419 PolarHBondContact O-N 3.04Å; V416-F420 PolarHBondContact O-N 3.15Å; V416-G438 WeakPolarHBondContact CG1-O 3.39Å; V416-L439 HydrophobicContact CG1-CB 4.42Å; V416-L442 HydrophobicContact CG1-CB 4.36Å; V416-L442 HydrophobicContact CG1-CD1 4.08Å
417Y92.6Very high90.6Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-69.3-38.7-177.1-151.6-96.2000112.1F374 V376 F395 I409 F412 S413 F420 L421 L442 Y446F374-Y417 HydrophobicContact CB-CE1 4.26Å; F374-Y417 AromaticContact CD1-CE1 3.7Å; F374-Y417 HydrophobicContact CD1-CE1 3.7Å; F374-Y417 HydrophobicContact CD2-CE1 4.35Å; F374-Y417 HydrophobicContact CE1-CE1 4.06Å; F374-Y417 AromaticContact CG-CE1 3.85Å; F374-Y417 HydrophobicContact CG-CE1 3.85Å; V376-Y417 HydrophobicContact CG2-CD1 3.75Å; V376-Y417 HydrophobicContact CG2-CG 4.05Å; F395-Y417 WeakPolarHBondContact CZ-OH 3.38Å; I409-Y417 HydrophobicContact CD1-CE1 4.4Å; I409-Y417 HydrophobicContact CD1-CE2 4.12Å; I409-Y417 WeakPolarHBondContact CD1-OH 3.31Å; I409-Y417 HydrophobicContact CG1-CD1 4.42Å; I409-Y417 HydrophobicContact CG1-CE1 3.84Å; I409-Y417 HydrophobicContact CG1-CE2 4.08Å; I409-Y417 HydrophobicContact CG2-CD2 3.81Å; I409-Y417 HydrophobicContact CG2-CE2 3.81Å; I409-Y417 HydrophobicContact CG2-CG 4.27Å; F412-Y417 HydrophobicContact CB-CD2 4.03Å; F412-Y417 AromaticContact CD2-CD2 3.99Å; F412-Y417 HydrophobicContact CD2-CD2 3.99Å; F412-Y417 HydrophobicContact CD2-CE2 4.17Å; F412-Y417 HydrophobicContact CG-CD2 4.33Å; S413-Y417 PolarHBondContact O-N 2.73Å; Y417-F420 WeakPolarHBondContact O-CB 3.41Å; Y417-F420 PolarHBondContact O-N 2.86Å; Y417-L421 HydrophobicContact CD1-CD1 3.83Å; Y417-L421 HydrophobicContact CD1-CG 4.19Å; Y417-L421 HydrophobicContact CE1-CD1 3.91Å; Y417-L421 HydrophobicContact CE1-CD2 4.37Å; Y417-L421 HydrophobicContact CE1-CG 4.18Å; Y417-L421 WeakPolarHBondContact O-CG 3.48Å; Y417-L421 PolarHBondContact O-N 3Å; Y417-L442 HydrophobicContact CD2-CD1 3.55Å; Y417-L442 HydrophobicContact CE2-CD1 4Å; Y417-L442 HydrophobicContact CG-CD1 4.44Å; Y417-Y446 HydrophobicContact CE2-CE2 4.07Å; Y417-Y446 WeakPolarHBondContact CE2-OH 3.25Å; Y417-Y446 PolarHBondContact OH-OH 3.03Å
418R93.2Very high90.2Very high74 Ų7445 Ų4528%0.27922%0.221SC..Hα-helixtrans-62-44173.8-172.3-177.8176.7-71.5-4.9111.8F364 D365 I381 Y414 F420 L421 E422F364-R418 HydrophobicContact CE1-CG 4.2Å; F364-R418 HydrophobicContact CZ-CG 4.07Å; D365-R418 IonicContact OD2-NE 3.76Å; D365-R418 PolarHBondContact OD2-NE 2.84Å; D365-R418 IonicContact OD2-NH2 3.46Å; I381-R418 HydrophobicContact CD1-CB 3.74Å; I381-R418 HydrophobicContact CD1-CG 4.27Å; Y414-R418 WeakPolarHBondContact O-CB 3.26Å; Y414-R418 PolarHBondContact O-N 2.85Å; R418-F420 VanDerWaalsContact C-N 3.31Å; R418-F420 PolarHBondContact O-N 2.87Å; R418-L421 PolarHBondContact O-N 3.44Å; R418-E422 IonicContact CZ-OE2 2.97Å; R418-E422 IonicContact NH1-OE2 2.74Å; R418-E422 PolarHBondContact NH1-OE2 3.29Å; R418-E422 WeakPolarHBondContact O-CB 3.25Å; R418-E422 PolarHBondContact O-N 3.21Å
419A91.1Very high89.9Confident5 Ų540.8 Ų40.84%0.04120%0.202CC..Hα-helixtrans-64.6-35.6177.700000112.7L415 V416 E422 Y423 L431L415-A419 WeakPolarHBondContact O-CB 3.32Å; L415-A419 PolarHBondContact O-N 2.81Å; L415-A419 VanDerWaalsContact O-N 3.09Å; V416-A419 PolarHBondContact O-N 3.04Å; A419-E422 PolarHBondContact O-N 2.73Å; A419-Y423 WeakPolarHBondContact O-CB 3.26Å; A419-Y423 PolarHBondContact O-N 3.05Å; A419-L431 HydrophobicContact CB-CD1 3.37Å; A419-L431 HydrophobicContact CB-CD2 3.95Å; A419-L431 HydrophobicContact CB-CG 3.51Å
420F93.4Very high89.3Confident0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-61.1-49.2172170.2-124.1000112.1F395 V416 Y417 R418 E422 Y423 L424 L439 L442 Y446 E448 L451F395-F420 HydrophobicContact CE2-CD1 4.45Å; F395-F420 AromaticContact CE2-CE1 3.48Å; F395-F420 HydrophobicContact CE2-CE1 3.48Å; F395-F420 VanDerWaalsContact CE2-CE1 3.48Å; F395-F420 HydrophobicContact CE2-CZ 4.02Å; F395-F420 AromaticContact CZ-CE1 3.77Å; F395-F420 HydrophobicContact CZ-CE1 3.77Å; V416-F420 PolarHBondContact O-N 3.15Å; Y417-F420 WeakPolarHBondContact O-CB 3.41Å; Y417-F420 PolarHBondContact O-N 2.86Å; R418-F420 VanDerWaalsContact C-N 3.31Å; R418-F420 PolarHBondContact O-N 2.87Å; F420-E422 VanDerWaalsContact C-N 3.34Å; F420-E422 PolarHBondContact O-N 3.05Å; F420-Y423 WeakPolarHBondContact O-CB 3.42Å; F420-Y423 PolarHBondContact O-N 3.4Å; F420-L424 HydrophobicContact CE1-CD1 4.18Å; F420-L424 HydrophobicContact CE2-CD1 4.29Å; F420-L424 HydrophobicContact CE2-CD2 4.18Å; F420-L424 HydrophobicContact CE2-CG 4.27Å; F420-L424 HydrophobicContact CZ-CD1 3.95Å; F420-L424 HydrophobicContact CZ-CD2 4.47Å; F420-L424 HydrophobicContact CZ-CG 4.43Å; F420-L424 PolarHBondContact O-N 2.95Å; F420-L439 HydrophobicContact CB-CD1 3.67Å; F420-L442 HydrophobicContact CB-CD1 3.84Å; F420-L442 HydrophobicContact CB-CD2 3.65Å; F420-L442 HydrophobicContact CB-CG 4.44Å; F420-L442 HydrophobicContact CD1-CD1 4.12Å; F420-L442 HydrophobicContact CD1-CD2 3.58Å; F420-L442 HydrophobicContact CD1-CG 4.44Å; F420-L442 HydrophobicContact CD2-CD2 3.31Å; F420-L442 HydrophobicContact CE1-CD2 3.94Å; F420-L442 HydrophobicContact CE2-CD2 3.72Å; F420-L442 HydrophobicContact CG-CD1 4.07Å; F420-L442 HydrophobicContact CG-CD2 3.21Å; F420-L442 HydrophobicContact CG-CG 4.31Å; F420-L442 HydrophobicContact CZ-CD2 4.01Å; F420-Y446 HydrophobicContact CD1-CD2 4.39Å; F420-Y446 HydrophobicContact CD1-CE2 4.17Å; F420-Y446 AromaticContact CE1-CD2 3.65Å; F420-Y446 HydrophobicContact CE1-CD2 3.65Å; F420-Y446 AromaticContact CE1-CE2 3.62Å; F420-Y446 HydrophobicContact CE1-CE2 3.62Å; F420-Y446 HydrophobicContact CE2-CD2 4.38Å; F420-Y446 AromaticContact CZ-CD2 3.65Å; F420-Y446 HydrophobicContact CZ-CD2 3.65Å; F420-Y446 HydrophobicContact CZ-CE2 4.12Å; F420-Y446 HydrophobicContact CZ-CG 4.34Å; F420-E448 HydrophobicContact CE2-CG 4.35Å; F420-L451 HydrophobicContact CD2-CD2 3.46Å; F420-L451 VanDerWaalsContact CD2-CD2 3.46Å; F420-L451 HydrophobicContact CE2-CD2 3.8Å
421L93.4Very high88.9Confident0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-63.4-42.8178.2-65.2172.7000110.5F364 F374 I381 V383 L388 F395 Y417 R418 Y423 L424 Y425F364-L421 HydrophobicContact CE2-CB 3.74Å; F364-L421 HydrophobicContact CZ-CB 4.03Å; F374-L421 HydrophobicContact CB-CD1 4.48Å; F374-L421 HydrophobicContact CD2-CD1 3.73Å; F374-L421 HydrophobicContact CD2-CD2 4.3Å; F374-L421 HydrophobicContact CE2-CD1 4.31Å; F374-L421 HydrophobicContact CE2-CD2 4.03Å; F374-L421 HydrophobicContact CG-CD1 4.28Å; I381-L421 HydrophobicContact CB-CD1 4.2Å; I381-L421 HydrophobicContact CD1-CD1 4.17Å; I381-L421 HydrophobicContact CG2-CD1 3.77Å; V383-L421 HydrophobicContact CG1-CB 4.38Å; V383-L421 HydrophobicContact CG1-CD1 4.07Å; L388-L421 HydrophobicContact CD2-CD2 3.9Å; F395-L421 HydrophobicContact CE2-CD2 4.01Å; F395-L421 HydrophobicContact CZ-CD2 4.16Å; Y417-L421 HydrophobicContact CD1-CD1 3.83Å; Y417-L421 HydrophobicContact CD1-CG 4.19Å; Y417-L421 HydrophobicContact CE1-CD1 3.91Å; Y417-L421 HydrophobicContact CE1-CD2 4.37Å; Y417-L421 HydrophobicContact CE1-CG 4.18Å; Y417-L421 WeakPolarHBondContact O-CG 3.48Å; Y417-L421 PolarHBondContact O-N 3Å; R418-L421 PolarHBondContact O-N 3.44Å; L421-Y423 VanDerWaalsContact C-N 3.28Å; L421-Y423 PolarHBondContact O-N 3.4Å; L421-L424 HydrophobicContact CD2-CD1 4.43Å; L421-L424 WeakPolarHBondContact O-CB 3.15Å; L421-L424 PolarHBondContact O-N 3.41Å; L421-Y425 VanDerWaalsContact O-CD2 3.27Å; L421-Y425 WeakPolarHBondContact O-CD2 3.33Å; L421-Y425 PolarHBondContact O-N 3.5Å
422E92.1Very high88.5Confident38 Ų3837.6 Ų37.618%0.17820%0.197CC..Hα-helixtrans-60.5-37176.3-167.1171.1167.500112.3F364 R418 A419 F420 L424 Y425 T426F364-E422 HydrophobicContact CD1-CB 4.14Å; F364-E422 HydrophobicContact CD1-CG 3.93Å; F364-E422 HydrophobicContact CE1-CB 3.54Å; F364-E422 HydrophobicContact CE1-CG 3.79Å; F364-E422 HydrophobicContact CE2-CB 4.39Å; F364-E422 HydrophobicContact CZ-CB 3.7Å; F364-E422 HydrophobicContact CZ-CG 4.41Å; R418-E422 IonicContact CZ-OE2 2.97Å; R418-E422 IonicContact NH1-OE2 2.74Å; R418-E422 PolarHBondContact NH1-OE2 3.29Å; R418-E422 WeakPolarHBondContact O-CB 3.25Å; R418-E422 PolarHBondContact O-N 3.21Å; A419-E422 PolarHBondContact O-N 2.73Å; F420-E422 VanDerWaalsContact C-N 3.34Å; F420-E422 PolarHBondContact O-N 3.05Å; E422-L424 VanDerWaalsContact C-N 3.32Å; E422-L424 PolarHBondContact O-N 2.79Å; E422-Y425 PolarHBondContact O-N 3.31Å; E422-Y425 VanDerWaalsContact O-N 3.16Å; E422-T426 HydrophobicContact CG-CG2 4.2Å; E422-T426 WeakPolarHBondContact O-CB 3.35Å; E422-T426 WeakPolarHBondContact O-CG2 3.43Å; E422-T426 PolarHBondContact O-N 2.99Å; E422-T426 PolarHBondContact O-OG1 2.87Å
423Y92.6Very high87.9Confident6 Ų638 Ų382%0.02420%0.202CC..Hα-helixtrans-60.7-39.5173.5163.5-98.7000112.3A419 F420 L421 Y425 T426 D427 I429 R450 L451 L454A419-Y423 WeakPolarHBondContact O-CB 3.26Å; A419-Y423 PolarHBondContact O-N 3.05Å; F420-Y423 WeakPolarHBondContact O-CB 3.42Å; F420-Y423 PolarHBondContact O-N 3.4Å; L421-Y423 VanDerWaalsContact C-N 3.28Å; L421-Y423 PolarHBondContact O-N 3.4Å; Y423-Y425 PolarHBondContact O-N 3.07Å; Y423-T426 PolarHBondContact O-N 2.67Å; Y423-D427 WeakPolarHBondContact O-CA 3.39Å; Y423-D427 PolarHBondContact O-N 3.22Å; Y423-I429 HydrophobicContact CD2-CG1 4.41Å; Y423-R450 WeakPolarHBondContact OH-CG 3.2Å; Y423-L451 HydrophobicContact CD1-CB 4.34Å; Y423-L451 HydrophobicContact CD1-CD1 3.75Å; Y423-L451 HydrophobicContact CD1-CD2 4.2Å; Y423-L451 HydrophobicContact CD1-CG 4.32Å; Y423-L451 HydrophobicContact CD2-CD1 3.87Å; Y423-L451 HydrophobicContact CE1-CB 3.82Å; Y423-L451 HydrophobicContact CE1-CD1 3.99Å; Y423-L451 HydrophobicContact CE1-CD2 4.41Å; Y423-L451 HydrophobicContact CE1-CG 4.29Å; Y423-L451 HydrophobicContact CE2-CD1 4.11Å; Y423-L451 HydrophobicContact CG-CD1 3.68Å; Y423-L454 HydrophobicContact CD2-CD2 4.2Å; Y423-L454 HydrophobicContact CE2-CD2 3.93Å
424L92.2Very high87.3Confident2 Ų241.2 Ų41.21%0.0121%0.211CC..Hα-helixtrans-63-28.4178-62.9178000112.1L388 R391 C392 F395 F420 L421 E422L388-L424 HydrophobicContact CD2-CB 4.43Å; L388-L424 HydrophobicContact CD2-CD1 3.45Å; L388-L424 VanDerWaalsContact CD2-CD1 3.45Å; R391-L424 HydrophobicContact CB-CB 4.27Å; R391-L424 HydrophobicContact CB-CD2 4.03Å; R391-L424 PolarHBondContact NE-O 3.33Å; C392-L424 HydrophobicContact CB-CD1 4.2Å; C392-L424 HydrophobicContact CB-CD2 4.17Å; F395-L424 HydrophobicContact CD2-CD1 3.99Å; F395-L424 HydrophobicContact CE2-CD1 3.79Å; F420-L424 HydrophobicContact CE1-CD1 4.18Å; F420-L424 HydrophobicContact CE2-CD1 4.29Å; F420-L424 HydrophobicContact CE2-CD2 4.18Å; F420-L424 HydrophobicContact CE2-CG 4.27Å; F420-L424 HydrophobicContact CZ-CD1 3.95Å; F420-L424 HydrophobicContact CZ-CD2 4.47Å; F420-L424 HydrophobicContact CZ-CG 4.43Å; F420-L424 PolarHBondContact O-N 2.95Å; L421-L424 HydrophobicContact CD2-CD1 4.43Å; L421-L424 WeakPolarHBondContact O-CB 3.15Å; L421-L424 PolarHBondContact O-N 3.41Å; E422-L424 VanDerWaalsContact C-N 3.32Å; E422-L424 PolarHBondContact O-N 2.79Å
425Y91.2Very high86.7Confident13 Ų1342 Ų425%0.05122%0.219CC..Hα-helixtrans-85-35.8176.1-78.8-108.5000113.9L360 F364 V383 H384 L387 L421 E422 Y423L360-Y425 HydrophobicContact CB-CD1 4.2Å; L360-Y425 VanDerWaalsContact O-CD1 3.24Å; L360-Y425 WeakPolarHBondContact O-CD1 3.28Å; F364-Y425 HydrophobicContact CB-CD1 4.06Å; F364-Y425 HydrophobicContact CB-CE1 4.37Å; F364-Y425 HydrophobicContact CB-CG 4.26Å; F364-Y425 HydrophobicContact CD2-CD1 4.32Å; F364-Y425 AromaticContact CD2-CD2 3.64Å; F364-Y425 HydrophobicContact CD2-CD2 3.64Å; F364-Y425 HydrophobicContact CD2-CE1 4.39Å; F364-Y425 AromaticContact CD2-CE2 3.71Å; F364-Y425 HydrophobicContact CD2-CE2 3.71Å; F364-Y425 AromaticContact CD2-CG 3.94Å; F364-Y425 HydrophobicContact CD2-CG 3.94Å; F364-Y425 HydrophobicContact CE2-CD2 4.19Å; F364-Y425 HydrophobicContact CE2-CE2 4.22Å; F364-Y425 HydrophobicContact CG-CG 4.42Å; V383-Y425 VanDerWaalsContact CA-OH 3.3Å; V383-Y425 WeakPolarHBondContact CA-OH 3.16Å; V383-Y425 HydrophobicContact CB-CE2 4.47Å; V383-Y425 HydrophobicContact CG1-CE2 4.18Å; H384-Y425 PolarHBondContact N-OH 2.83Å; H384-Y425 AromaticContact ND1-CE1 3.74Å; H384-Y425 AromaticContact ND1-CZ 3.73Å; H384-Y425 PolarHBondContact ND1-OH 3.4Å; L387-Y425 HydrophobicContact CD2-CD1 3.33Å; L387-Y425 HydrophobicContact CD2-CD2 3.59Å; L387-Y425 HydrophobicContact CD2-CE1 3.35Å; L387-Y425 HydrophobicContact CD2-CE2 3.63Å; L387-Y425 HydrophobicContact CD2-CG 3.47Å; L387-Y425 VanDerWaalsContact CD2-CG 3.47Å; L421-Y425 VanDerWaalsContact O-CD2 3.27Å; L421-Y425 WeakPolarHBondContact O-CD2 3.33Å; L421-Y425 PolarHBondContact O-N 3.5Å; E422-Y425 PolarHBondContact O-N 3.31Å; E422-Y425 VanDerWaalsContact O-N 3.16Å; Y423-Y425 PolarHBondContact O-N 3.07Å
426T88.1Confident86.4Confident17 Ų1737.4 Ų37.410%0.10420%0.195CC..Hα-helixtrans-120.2-8.8-162.267.20000115.1K361 E422 Y423 N428K361-T426 HydrophobicContact CB-CG2 4.03Å; K361-T426 HydrophobicContact CD-CG2 3.8Å; K361-T426 HydrophobicContact CG-CG2 3.63Å; E422-T426 HydrophobicContact CG-CG2 4.2Å; E422-T426 WeakPolarHBondContact O-CB 3.35Å; E422-T426 WeakPolarHBondContact O-CG2 3.43Å; E422-T426 PolarHBondContact O-N 2.99Å; E422-T426 PolarHBondContact O-OG1 2.87Å; Y423-T426 PolarHBondContact O-N 2.67Å; T426-N428 PolarHBondContact O-N 2.99Å; T426-N428 PolarHBondContact O-ND2 2.9Å; T426-N428 PolarHBondContact OG1-N 2.72Å
427D87.6Confident85.9Confident59 Ų5938.2 Ų38.232%0.31620%0.198SC..SBendtrans58.78-170.5-73.1-68.9000114.9R391 Y423 R450R391-D427 IonicContact CZ-OD1 3.97Å; R391-D427 IonicContact NH1-OD1 3.66Å; R391-D427 VanDerWaalsContact NH2-CG 3.3Å; R391-D427 IonicContact NH2-OD1 3.44Å; R391-D427 PolarHBondContact NH2-OD1 2.92Å; R391-D427 IonicContact NH2-OD2 2.79Å; Y423-D427 WeakPolarHBondContact O-CA 3.39Å; Y423-D427 PolarHBondContact O-N 3.22Å; D427-R450 IonicContact OD1-CZ 2.73Å; D427-R450 IonicContact OD1-NH1 2.82Å; D427-R450 PolarHBondContact OD1-NH1 3.42Å; D427-R450 IonicContact OD1-NH2 3.25Å; D427-R450 PolarHBondContact OD1-NH2 3.13Å
428N83.1Confident85.4Confident104 Ų10439.1 Ų39.156%0.55621%0.208SC*.  trans-114.6150-176.7-68.9-66.8000111.3T426T426-N428 PolarHBondContact O-N 2.99Å; T426-N428 PolarHBondContact O-ND2 2.9Å; T426-N428 PolarHBondContact OG1-N 2.72Å
429I83.5Confident85.1Confident28 Ų2835.6 Ų35.614%0.14419%0.194CC..  trans-109.3124.9170.8-61.5171.1000107.4Y423 L431 L439 L451 L454Y423-I429 HydrophobicContact CD2-CG1 4.41Å; I429-L431 HydrophobicContact CG2-CB 4.15Å; I429-L439 HydrophobicContact CB-CD2 4.44Å; I429-L439 HydrophobicContact CD1-CD2 3.9Å; I429-L439 HydrophobicContact CG1-CD2 3.94Å; I429-L439 HydrophobicContact CG2-CD2 3.66Å; I429-L451 HydrophobicContact CD1-CD1 3.77Å; I429-L451 HydrophobicContact CG1-CD1 4.04Å; I429-L454 HydrophobicContact CD1-CB 3.77Å; I429-L454 HydrophobicContact CD1-CD2 3.62Å; I429-L454 HydrophobicContact CD1-CG 3.57Å; I429-L454 HydrophobicContact CG1-CD2 3.65Å; I429-L454 HydrophobicContact CG1-CG 4.12Å
430N77.8Confident84.8Confident136 Ų13635.5 Ų35.573%0.72719%0.193SC*.  trans-12074.6173.6-16922.5000109.5
431L80.6Confident84.4Confident26 Ų2638.1 Ų38.114%0.13621%0.207CC..  trans-138.6147.7176.8-77.9-179.6000110.3A419 I429 D435 L439A419-L431 HydrophobicContact CB-CD1 3.37Å; A419-L431 HydrophobicContact CB-CD2 3.95Å; A419-L431 HydrophobicContact CB-CG 3.51Å; I429-L431 HydrophobicContact CG2-CB 4.15Å; L431-D435 HydrophobicContact CB-CB 4.4Å; L431-D435 HydrophobicContact CD1-CB 4.32Å; L431-D435 HydrophobicContact CD2-CB 4.17Å; L431-L439 HydrophobicContact CD1-CB 4.17Å; L431-L439 HydrophobicContact CD1-CD2 4.04Å
432P76.4Confident84.1Confident66 Ų6638.1 Ų38.143%0.42921%0.207SC..  trans-62.9155.1168.528.9-33.8000110.4E434 D435 A436P432-E434 PolarHBondContact O-N 3.31Å; P432-E434 VanDerWaalsContact O-N 3.11Å; P432-D435 HydrophobicContact CG-CB 3.95Å; P432-D435 WeakPolarHBondContact CG-OD2 3.47Å; P432-D435 PolarHBondContact O-N 3.01Å; P432-D435 VanDerWaalsContact O-N 3.11Å; P432-A436 PolarHBondContact O-N 2.85Å
433P77.1Confident83.9Confident29 Ų2936.3 Ų36.319%0.18820%0.199CC..THydrogen-bonded Turntrans-56.1-31.9-176.6-25.634.4000114A436P433-A436 PolarHBondContact O-N 3.02Å
434E75.9Confident83.5Confident118 Ų11838.8 Ų38.855%0.55122%0.215SC*.THydrogen-bonded Turntrans-68.5-42.8179.9-62.2175.6-162.500111.7P432 I437 N467P432-E434 PolarHBondContact O-N 3.31Å; P432-E434 VanDerWaalsContact O-N 3.11Å; E434-I437 WeakPolarHBondContact O-CB 3.32Å; E434-I437 WeakPolarHBondContact O-CD1 3.09Å; E434-I437 PolarHBondContact O-N 2.89Å; E434-N467 HydrophobicContact CG-CB 4.47Å
435D79.9Confident83.2Confident58 Ų5843.9 Ų43.931%0.3124%0.237SC..THydrogen-bonded Turntrans-78.3-24.4176.7-66.9-34.2000112.4L431 P432 I437 G438 L439L431-D435 HydrophobicContact CB-CB 4.4Å; L431-D435 HydrophobicContact CD1-CB 4.32Å; L431-D435 HydrophobicContact CD2-CB 4.17Å; P432-D435 HydrophobicContact CG-CB 3.95Å; P432-D435 WeakPolarHBondContact CG-OD2 3.47Å; P432-D435 PolarHBondContact O-N 3.01Å; P432-D435 VanDerWaalsContact O-N 3.11Å; D435-I437 PolarHBondContact O-N 2.83Å; D435-I437 VanDerWaalsContact O-N 3.14Å; D435-G438 PolarHBondContact O-N 2.88Å; D435-L439 PolarHBondContact O-N 3.27Å
436A82.3Confident83Confident0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-61.6-19174.100000112.6P432 P433 L439 L440 I459P432-A436 PolarHBondContact O-N 2.85Å; P433-A436 PolarHBondContact O-N 3.02Å; A436-L439 PolarHBondContact O-N 3.23Å; A436-L440 PolarHBondContact O-N 2.91Å; A436-I459 HydrophobicContact CB-CD1 4.38Å; A436-I459 HydrophobicContact CB-CG1 3.92Å
437I79.6Confident82.8Confident24 Ų2453.6 Ų53.612%0.12327%0.272CS..Hα-helixtrans-61.9-47.4169.7-67.6164.9000111.1E434 D435 L439 L440 D441 I459 L471 A474 Y478E434-I437 WeakPolarHBondContact O-CB 3.32Å; E434-I437 WeakPolarHBondContact O-CD1 3.09Å; E434-I437 PolarHBondContact O-N 2.89Å; D435-I437 PolarHBondContact O-N 2.83Å; D435-I437 VanDerWaalsContact O-N 3.14Å; I437-L439 PolarHBondContact O-N 2.83Å; I437-L440 WeakPolarHBondContact O-CB 3.47Å; I437-L440 PolarHBondContact O-N 2.86Å; I437-L440 VanDerWaalsContact O-N 3.13Å; I437-D441 PolarHBondContact O-N 3.14Å; I437-D441 VanDerWaalsContact O-N 3.15Å; I437-I459 HydrophobicContact CG1-CD1 4.36Å; I437-L471 HydrophobicContact CD1-CD2 3.66Å; I437-L471 HydrophobicContact CG1-CD2 4.04Å; I437-A474 HydrophobicContact CB-CB 4.26Å; I437-A474 HydrophobicContact CD1-CB 3.36Å; I437-A474 HydrophobicContact CG1-CB 3.66Å; I437-A474 HydrophobicContact CG2-CB 3.54Å; I437-Y478 HydrophobicContact CG2-CD2 3.86Å; I437-Y478 HydrophobicContact CG2-CE2 3.24Å
438G82.9Confident82.8Confident19 Ų1952.4 Ų52.420%0.19626%0.264CS..Hα-helixtrans-63.1-35.7177.800000111.3V416 D435 L440 D441 L442V416-G438 WeakPolarHBondContact CG1-O 3.39Å; D435-G438 PolarHBondContact O-N 2.88Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-D441 PolarHBondContact O-N 3.38Å; G438-L442 PolarHBondContact O-N 2.91Å
439L86.2Confident82.8Confident0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-68.7-32.2175.4-167.863.5000112.5V416 F420 I429 L431 D435 A436 I437 L442 A443 L451V416-L439 HydrophobicContact CG1-CB 4.42Å; F420-L439 HydrophobicContact CB-CD1 3.67Å; I429-L439 HydrophobicContact CB-CD2 4.44Å; I429-L439 HydrophobicContact CD1-CD2 3.9Å; I429-L439 HydrophobicContact CG1-CD2 3.94Å; I429-L439 HydrophobicContact CG2-CD2 3.66Å; L431-L439 HydrophobicContact CD1-CB 4.17Å; L431-L439 HydrophobicContact CD1-CD2 4.04Å; D435-L439 PolarHBondContact O-N 3.27Å; A436-L439 PolarHBondContact O-N 3.23Å; I437-L439 PolarHBondContact O-N 2.83Å; L439-L442 HydrophobicContact CD1-CD2 4.43Å; L439-L442 PolarHBondContact O-N 3.17Å; L439-A443 VanDerWaalsContact O-CB 3.27Å; L439-A443 WeakPolarHBondContact O-CB 3.28Å; L439-A443 PolarHBondContact O-N 3.31Å; L439-L451 HydrophobicContact CD1-CD2 4.23Å; L439-L451 HydrophobicContact CD2-CD1 4.06Å; L439-L451 HydrophobicContact CG-CD1 4.24Å; L439-L451 HydrophobicContact CG-CD2 4.44Å
440L85.3Confident82.9Confident3 Ų357.3 Ų57.32%0.01629%0.285CS..Hα-helixtrans-66.2-39.1174.2-175.169.3000112.2A436 I437 G438 A443 T444 K452 C455 Q456 I459 A480 L483A436-L440 PolarHBondContact O-N 2.91Å; I437-L440 WeakPolarHBondContact O-CB 3.47Å; I437-L440 PolarHBondContact O-N 2.86Å; I437-L440 VanDerWaalsContact O-N 3.13Å; G438-L440 VanDerWaalsContact C-N 3.34Å; L440-A443 PolarHBondContact O-N 3.48Å; L440-T444 PolarHBondContact O-N 2.97Å; L440-T444 PolarHBondContact O-OG1 2.68Å; L440-K452 HydrophobicContact CD1-CB 4.46Å; L440-K452 HydrophobicContact CD1-CG 3.65Å; L440-C455 HydrophobicContact CB-CB 4.18Å; L440-C455 HydrophobicContact CD1-CB 3.91Å; L440-Q456 HydrophobicContact CD1-CG 3.91Å; L440-I459 HydrophobicContact CD2-CD1 4.45Å; L440-A480 HydrophobicContact CD2-CB 4.12Å; L440-L483 HydrophobicContact CD2-CD2 4.22Å
441D84.2Confident83.4Confident54 Ų5450.8 Ų50.829%0.28925%0.251SS..Hα-helixtrans-63.2-51174-170.917.9000110.3I437 G438 A443 T444 F445 Y478I437-D441 PolarHBondContact O-N 3.14Å; I437-D441 VanDerWaalsContact O-N 3.15Å; G438-D441 PolarHBondContact O-N 3.38Å; D441-A443 VanDerWaalsContact C-N 3.32Å; D441-A443 PolarHBondContact O-N 2.83Å; D441-T444 CarbonylContact O-C 3.6Å; D441-T444 WeakPolarHBondContact O-CA 3.36Å; D441-T444 WeakPolarHBondContact O-CB 3.37Å; D441-T444 PolarHBondContact O-N 2.98Å; D441-F445 WeakPolarHBondContact O-CB 3.16Å; D441-F445 PolarHBondContact O-N 2.93Å; D441-Y478 HydrophobicContact CB-CD1 3.85Å; D441-Y478 HydrophobicContact CB-CE1 3.51Å; D441-Y478 WeakPolarHBondContact OD2-CE1 3.39Å
442L88.2Confident83.6Confident0 Ų052.7 Ų52.70%026%0.258CS..Hα-helixtrans-56.8-44.3175.8-174.4156.5000112.1F412 V416 Y417 F420 G438 L439 T444 F445 Y446 L451F412-L442 HydrophobicContact CB-CD1 4.49Å; F412-L442 HydrophobicContact CD1-CB 4.11Å; F412-L442 HydrophobicContact CD1-CD1 4.31Å; F412-L442 HydrophobicContact CD2-CD1 4.1Å; F412-L442 HydrophobicContact CE1-CB 3.82Å; F412-L442 HydrophobicContact CE1-CG 4.41Å; F412-L442 HydrophobicContact CE2-CD1 4.44Å; F412-L442 HydrophobicContact CE2-CG 4.36Å; F412-L442 HydrophobicContact CG-CD1 4.04Å; F412-L442 HydrophobicContact CZ-CB 4.1Å; F412-L442 HydrophobicContact CZ-CG 4.31Å; V416-L442 HydrophobicContact CG1-CB 4.36Å; V416-L442 HydrophobicContact CG1-CD1 4.08Å; Y417-L442 HydrophobicContact CD2-CD1 3.55Å; Y417-L442 HydrophobicContact CE2-CD1 4Å; Y417-L442 HydrophobicContact CG-CD1 4.44Å; F420-L442 HydrophobicContact CB-CD1 3.84Å; F420-L442 HydrophobicContact CB-CD2 3.65Å; F420-L442 HydrophobicContact CB-CG 4.44Å; F420-L442 HydrophobicContact CD1-CD1 4.12Å; F420-L442 HydrophobicContact CD1-CD2 3.58Å; F420-L442 HydrophobicContact CD1-CG 4.44Å; F420-L442 HydrophobicContact CD2-CD2 3.31Å; F420-L442 HydrophobicContact CE1-CD2 3.94Å; F420-L442 HydrophobicContact CE2-CD2 3.72Å; F420-L442 HydrophobicContact CG-CD1 4.07Å; F420-L442 HydrophobicContact CG-CD2 3.21Å; F420-L442 HydrophobicContact CG-CG 4.31Å; F420-L442 HydrophobicContact CZ-CD2 4.01Å; G438-L442 PolarHBondContact O-N 2.91Å; L439-L442 HydrophobicContact CD1-CD2 4.43Å; L439-L442 PolarHBondContact O-N 3.17Å; L442-T444 PolarHBondContact O-N 3.07Å; L442-F445 WeakPolarHBondContact O-CB 3.46Å; L442-F445 PolarHBondContact O-N 2.8Å; L442-Y446 HydrophobicContact CD1-CE2 4.23Å; L442-Y446 HydrophobicContact CD2-CD2 3.45Å; L442-Y446 VanDerWaalsContact CD2-CD2 3.45Å; L442-Y446 HydrophobicContact CD2-CE2 3.78Å; L442-Y446 HydrophobicContact CG-CD2 3.79Å; L442-Y446 HydrophobicContact CG-CE2 3.74Å; L442-Y446 PolarHBondContact O-N 2.84Å; L442-L451 HydrophobicContact CD2-CD2 4.41Å
443A87.5Confident84Confident1 Ų157.1 Ų57.11%0.00827%0.266CS..Hα-helixtrans-62.1-3517700000112.1L439 L440 D441 R447 E448 L451 K452L439-A443 VanDerWaalsContact O-CB 3.27Å; L439-A443 WeakPolarHBondContact O-CB 3.28Å; L439-A443 PolarHBondContact O-N 3.31Å; L440-A443 PolarHBondContact O-N 3.48Å; D441-A443 VanDerWaalsContact C-N 3.32Å; D441-A443 PolarHBondContact O-N 2.83Å; A443-R447 CarbonylContact O-C 3.58Å; A443-R447 WeakPolarHBondContact O-CA 3.31Å; A443-R447 PolarHBondContact O-N 3.36Å; A443-R447 VanDerWaalsContact O-N 3.07Å; A443-E448 PolarHBondContact O-N 2.97Å; A443-L451 HydrophobicContact CB-CB 4.02Å; A443-L451 HydrophobicContact CB-CD2 3.73Å; A443-L451 HydrophobicContact CB-CG 3.72Å; A443-K452 HydrophobicContact CB-CB 4.15Å
444T84.4Confident84.4Confident58 Ų5858.1 Ų58.136%0.35627%0.269SS..Hα-helixtrans-73-41175.9-57.80000110.8L440 D441 L442 R447L440-T444 PolarHBondContact O-N 2.97Å; L440-T444 PolarHBondContact O-OG1 2.68Å; D441-T444 CarbonylContact O-C 3.6Å; D441-T444 WeakPolarHBondContact O-CA 3.36Å; D441-T444 WeakPolarHBondContact O-CB 3.37Å; D441-T444 PolarHBondContact O-N 2.98Å; L442-T444 PolarHBondContact O-N 3.07Å; T444-R447 PolarHBondContact O-N 2.85Å
445F85.9Confident84.9Confident108 Ų10852.5 Ų52.547%0.47424%0.243SC..Hα-helixtrans-59.8-49.6176.7-175-96.2000112F412 D441 L442 R447F412-F445 HydrophobicContact CE2-CD1 4.31Å; F412-F445 HydrophobicContact CZ-CB 4.16Å; F412-F445 HydrophobicContact CZ-CD1 4.34Å; F412-F445 HydrophobicContact CZ-CG 4.16Å; D441-F445 WeakPolarHBondContact O-CB 3.16Å; D441-F445 PolarHBondContact O-N 2.93Å; L442-F445 WeakPolarHBondContact O-CB 3.46Å; L442-F445 PolarHBondContact O-N 2.8Å; F445-R447 VanDerWaalsContact C-N 3.29Å; F445-R447 PolarHBondContact O-N 3.41Å
446Y86.4Confident85.1Confident16 Ų1651.1 Ų51.16%0.06324%0.235CC..THydrogen-bonded Turntrans-842.1177.2-64.8-52.7000114.4H394 Y417 F420 L442 E448H394-Y446 HydrophobicContact CB-CD1 3.87Å; H394-Y446 AromaticContact CD2-CD1 3.36Å; H394-Y446 WeakPolarHBondContact CD2-CD1 2.99Å; H394-Y446 AromaticContact CD2-CE1 3.19Å; H394-Y446 WeakPolarHBondContact CD2-CE1 2.69Å; H394-Y446 AromaticContact CE1-CE1 3.96Å; H394-Y446 AromaticContact CG-CD1 3.42Å; H394-Y446 VanDerWaalsContact CG-CD1 3.42Å; H394-Y446 AromaticContact CG-CE1 3.76Å; H394-Y446 AromaticContact ND1-CD1 3.92Å; H394-Y446 AromaticContact NE2-CD1 3.85Å; H394-Y446 AromaticContact NE2-CE1 3.35Å; H394-Y446 VanDerWaalsContact NE2-CE1 3.35Å; H394-Y446 WeakPolarHBondContact NE2-CE1 3.43Å; Y417-Y446 HydrophobicContact CE2-CE2 4.07Å; Y417-Y446 WeakPolarHBondContact CE2-OH 3.25Å; Y417-Y446 PolarHBondContact OH-OH 3.03Å; F420-Y446 HydrophobicContact CD1-CD2 4.39Å; F420-Y446 HydrophobicContact CD1-CE2 4.17Å; F420-Y446 AromaticContact CE1-CD2 3.65Å; F420-Y446 HydrophobicContact CE1-CD2 3.65Å; F420-Y446 AromaticContact CE1-CE2 3.62Å; F420-Y446 HydrophobicContact CE1-CE2 3.62Å; F420-Y446 HydrophobicContact CE2-CD2 4.38Å; F420-Y446 AromaticContact CZ-CD2 3.65Å; F420-Y446 HydrophobicContact CZ-CD2 3.65Å; F420-Y446 HydrophobicContact CZ-CE2 4.12Å; F420-Y446 HydrophobicContact CZ-CG 4.34Å; L442-Y446 HydrophobicContact CD1-CE2 4.23Å; L442-Y446 HydrophobicContact CD2-CD2 3.45Å; L442-Y446 VanDerWaalsContact CD2-CD2 3.45Å; L442-Y446 HydrophobicContact CD2-CE2 3.78Å; L442-Y446 HydrophobicContact CG-CD2 3.79Å; L442-Y446 HydrophobicContact CG-CE2 3.74Å; L442-Y446 PolarHBondContact O-N 2.84Å; Y446-E448 PolarHBondContact O-N 3.35Å
447R84.9Confident85.2Confident218 Ų21855.1 Ų55.182%0.82325%0.253SS*.THydrogen-bonded Turntrans59.130.8179.7-53.8179.4178.5177-0.3114.2A443 T444 F445 T449A443-R447 CarbonylContact O-C 3.58Å; A443-R447 WeakPolarHBondContact O-CA 3.31Å; A443-R447 PolarHBondContact O-N 3.36Å; A443-R447 VanDerWaalsContact O-N 3.07Å; T444-R447 PolarHBondContact O-N 2.85Å; F445-R447 VanDerWaalsContact C-N 3.29Å; F445-R447 PolarHBondContact O-N 3.41Å; R447-T449 PolarHBondContact O-N 2.84Å; R447-T449 VanDerWaalsContact O-N 3.16Å
448E85.7Confident85.4Confident34 Ų3455.8 Ų55.816%0.15926%0.259CS..  trans-82.389.1178.3-74-63.4161.400111.4C392 F420 A443 Y446 R450 L451 K452C392-E448 WeakPolarHBondContact CA-OE1 3.18Å; C392-E448 PolarHBondContact SG-OE1 3.47Å; F420-E448 HydrophobicContact CE2-CG 4.35Å; A443-E448 PolarHBondContact O-N 2.97Å; Y446-E448 PolarHBondContact O-N 3.35Å; E448-R450 VanDerWaalsContact C-N 3.35Å; E448-R450 PolarHBondContact O-N 2.96Å; E448-L451 HydrophobicContact CB-CB 3.87Å; E448-L451 HydrophobicContact CB-CD2 4.39Å; E448-L451 PolarHBondContact O-N 2.87Å; E448-K452 WeakPolarHBondContact O-CB 3.4Å; E448-K452 PolarHBondContact O-N 3.25Å
449T84.6Confident85.5Confident108 Ų10854.9 Ų54.966%0.66325%0.25SC*.Hα-helixtrans-62.4-36.2-173.958.60000114.1R447 R453R447-T449 PolarHBondContact O-N 2.84Å; R447-T449 VanDerWaalsContact O-N 3.16Å; T449-R453 PolarHBondContact O-N 3.26Å; T449-R453 VanDerWaalsContact O-N 3.13Å
450R85.7Confident85.5Confident127 Ų12758.1 Ų58.148%0.47926%0.263SS..Hα-helixtrans-69.5-44.7178.8-174.8178.4172.7-155.7-6.5111Y423 D427 E448 K452 R453 L454Y423-R450 WeakPolarHBondContact OH-CG 3.2Å; D427-R450 IonicContact OD1-CZ 2.73Å; D427-R450 IonicContact OD1-NH1 2.82Å; D427-R450 PolarHBondContact OD1-NH1 3.42Å; D427-R450 IonicContact OD1-NH2 3.25Å; D427-R450 PolarHBondContact OD1-NH2 3.13Å; E448-R450 VanDerWaalsContact C-N 3.35Å; E448-R450 PolarHBondContact O-N 2.96Å; R450-K452 VanDerWaalsContact C-N 3.33Å; R450-K452 PolarHBondContact O-N 2.96Å; R450-R453 PolarHBondContact O-N 2.87Å; R450-L454 PolarHBondContact O-N 3.44Å
451L87.3Confident85.5Confident0 Ų067.9 Ų67.90%030%0.3CS..Hα-helixtrans-60.8-43.9175.1-178.761.1000111.1F420 Y423 I429 L439 L442 A443 E448 R453 L454 C455F420-L451 HydrophobicContact CD2-CD2 3.46Å; F420-L451 VanDerWaalsContact CD2-CD2 3.46Å; F420-L451 HydrophobicContact CE2-CD2 3.8Å; Y423-L451 HydrophobicContact CD1-CB 4.34Å; Y423-L451 HydrophobicContact CD1-CD1 3.75Å; Y423-L451 HydrophobicContact CD1-CD2 4.2Å; Y423-L451 HydrophobicContact CD1-CG 4.32Å; Y423-L451 HydrophobicContact CD2-CD1 3.87Å; Y423-L451 HydrophobicContact CE1-CB 3.82Å; Y423-L451 HydrophobicContact CE1-CD1 3.99Å; Y423-L451 HydrophobicContact CE1-CD2 4.41Å; Y423-L451 HydrophobicContact CE1-CG 4.29Å; Y423-L451 HydrophobicContact CE2-CD1 4.11Å; Y423-L451 HydrophobicContact CG-CD1 3.68Å; I429-L451 HydrophobicContact CD1-CD1 3.77Å; I429-L451 HydrophobicContact CG1-CD1 4.04Å; L439-L451 HydrophobicContact CD1-CD2 4.23Å; L439-L451 HydrophobicContact CD2-CD1 4.06Å; L439-L451 HydrophobicContact CG-CD1 4.24Å; L439-L451 HydrophobicContact CG-CD2 4.44Å; L442-L451 HydrophobicContact CD2-CD2 4.41Å; A443-L451 HydrophobicContact CB-CB 4.02Å; A443-L451 HydrophobicContact CB-CD2 3.73Å; A443-L451 HydrophobicContact CB-CG 3.72Å; E448-L451 HydrophobicContact CB-CB 3.87Å; E448-L451 HydrophobicContact CB-CD2 4.39Å; E448-L451 PolarHBondContact O-N 2.87Å; L451-R453 VanDerWaalsContact C-N 3.33Å; L451-R453 PolarHBondContact O-N 2.96Å; L451-L454 PolarHBondContact O-N 3.25Å; L451-C455 PolarHBondContact O-N 2.93Å; L451-C455 PolarHBondContact O-SG 3.17Å
452K85.9Confident85.4Confident66 Ų6666.6 Ų66.629%0.28730%0.299SS..Hα-helixtrans-54.9-47176-172.5177.2-176.41630111.9L440 A443 E448 R450 C455 Q456L440-K452 HydrophobicContact CD1-CB 4.46Å; L440-K452 HydrophobicContact CD1-CG 3.65Å; A443-K452 HydrophobicContact CB-CB 4.15Å; E448-K452 WeakPolarHBondContact O-CB 3.4Å; E448-K452 PolarHBondContact O-N 3.25Å; R450-K452 VanDerWaalsContact C-N 3.33Å; R450-K452 PolarHBondContact O-N 2.96Å; K452-C455 PolarHBondContact O-N 3.47Å; K452-Q456 WeakPolarHBondContact O-CG 3.44Å; K452-Q456 PolarHBondContact O-N 2.8Å; K452-Q456 VanDerWaalsContact O-N 3.09Å
453R84.4Confident85.4Confident158 Ų15867.8 Ų67.860%0.59631%0.305SS*.Hα-helixtrans-62.6-45.6177.3-170.7-175.8-56.7161.34.8111.7T449 R450 L451 C455 Q456 E457T449-R453 PolarHBondContact O-N 3.26Å; T449-R453 VanDerWaalsContact O-N 3.13Å; R450-R453 PolarHBondContact O-N 2.87Å; L451-R453 VanDerWaalsContact C-N 3.33Å; L451-R453 PolarHBondContact O-N 2.96Å; R453-C455 VanDerWaalsContact C-N 3.35Å; R453-C455 PolarHBondContact O-N 2.91Å; R453-Q456 PolarHBondContact O-N 2.98Å; R453-E457 PolarHBondContact O-N 3.29Å
454L85.3Confident85.5Confident50 Ų5069.9 Ų69.926%0.26232%0.32SS..Hα-helixtrans-65.5-37.4-178.7-165.168.2000111.9Y423 I429 R450 L451 E457 T458Y423-L454 HydrophobicContact CD2-CD2 4.2Å; Y423-L454 HydrophobicContact CE2-CD2 3.93Å; I429-L454 HydrophobicContact CD1-CB 3.77Å; I429-L454 HydrophobicContact CD1-CD2 3.62Å; I429-L454 HydrophobicContact CD1-CG 3.57Å; I429-L454 HydrophobicContact CG1-CD2 3.65Å; I429-L454 HydrophobicContact CG1-CG 4.12Å; R450-L454 PolarHBondContact O-N 3.44Å; L451-L454 PolarHBondContact O-N 3.25Å; L454-E457 PolarHBondContact O-N 2.95Å; L454-T458 WeakPolarHBondContact O-CB 3.4Å; L454-T458 PolarHBondContact O-N 3.11Å; L454-T458 PolarHBondContact O-OG1 3.21Å
455C86.3Confident85.6Confident0 Ų071.1 Ų71.10%032%0.322CS..Hα-helixtrans-62.3-48172.3-64.70000111.3L440 L451 K452 R453 E457 T458 I459L440-C455 HydrophobicContact CB-CB 4.18Å; L440-C455 HydrophobicContact CD1-CB 3.91Å; L451-C455 PolarHBondContact O-N 2.93Å; L451-C455 PolarHBondContact O-SG 3.17Å; K452-C455 PolarHBondContact O-N 3.47Å; R453-C455 VanDerWaalsContact C-N 3.35Å; R453-C455 PolarHBondContact O-N 2.91Å; C455-E457 VanDerWaalsContact C-N 3.33Å; C455-E457 PolarHBondContact O-N 3.19Å; C455-T458 PolarHBondContact O-N 2.92Å; C455-I459 VanDerWaalsContact O-CG1 3.26Å; C455-I459 WeakPolarHBondContact O-CG1 3.29Å; C455-I459 PolarHBondContact O-N 3.48Å
456Q84.8Confident85.6Confident29 Ų2973.7 Ų73.714%0.13634%0.335CS..Hα-helixtrans-60.5-41178.2-72.2176.6-22.800112.3L440 K452 R453 K460L440-Q456 HydrophobicContact CD1-CG 3.91Å; K452-Q456 WeakPolarHBondContact O-CG 3.44Å; K452-Q456 PolarHBondContact O-N 2.8Å; K452-Q456 VanDerWaalsContact O-N 3.09Å; R453-Q456 PolarHBondContact O-N 2.98Å; Q456-K460 WeakPolarHBondContact O-CB 3.4Å; Q456-K460 WeakPolarHBondContact O-CG 3.21Å; Q456-K460 PolarHBondContact O-N 3.32Å
457E84.6Confident85.6Confident84 Ų8473.4 Ų73.439%0.39334%0.335SS..Hα-helixtrans-65.4-41.3175.7-73.8-179.8-166.700112.4R453 L454 C455 K460 R461R453-E457 PolarHBondContact O-N 3.29Å; L454-E457 PolarHBondContact O-N 2.95Å; C455-E457 VanDerWaalsContact C-N 3.33Å; C455-E457 PolarHBondContact O-N 3.19Å; E457-K460 PolarHBondContact O-N 2.81Å; E457-R461 WeakPolarHBondContact O-CG 3.32Å; E457-R461 PolarHBondContact O-N 2.82Å
458T83.4Confident85.8Confident38 Ų3863 Ų6323%0.23330%0.296CS..Hα-helixtrans-62.2-45.4177.4-55.60000110.8L454 C455 R461 G462L454-T458 WeakPolarHBondContact O-CB 3.4Å; L454-T458 PolarHBondContact O-N 3.11Å; L454-T458 PolarHBondContact O-OG1 3.21Å; C455-T458 PolarHBondContact O-N 2.92Å; T458-R461 PolarHBondContact O-N 3.43Å; T458-G462 PolarHBondContact O-N 2.81Å; T458-G462 VanDerWaalsContact O-N 3.13Å
459I84.8Confident86Confident1 Ų161.6 Ų61.61%0.00529%0.289CS..Hα-helixtrans-63.2-44.6176.9-63164.7000111A436 I437 L440 C455 R461 G462 I463 L471 L483A436-I459 HydrophobicContact CB-CD1 4.38Å; A436-I459 HydrophobicContact CB-CG1 3.92Å; I437-I459 HydrophobicContact CG1-CD1 4.36Å; L440-I459 HydrophobicContact CD2-CD1 4.45Å; C455-I459 VanDerWaalsContact O-CG1 3.26Å; C455-I459 WeakPolarHBondContact O-CG1 3.29Å; C455-I459 PolarHBondContact O-N 3.48Å; I459-R461 VanDerWaalsContact C-N 3.28Å; I459-R461 PolarHBondContact O-N 3.44Å; I459-G462 PolarHBondContact O-N 2.93Å; I459-I463 PolarHBondContact O-N 3.25Å; I459-L471 HydrophobicContact CG2-CB 4.34Å; I459-L471 HydrophobicContact CG2-CD1 3.78Å; I459-L471 HydrophobicContact CG2-CD2 3.55Å; I459-L471 HydrophobicContact CG2-CG 4.07Å; I459-L483 HydrophobicContact CB-CD1 4.09Å; I459-L483 HydrophobicContact CB-CD2 4.38Å; I459-L483 HydrophobicContact CD1-CD2 3.81Å; I459-L483 HydrophobicContact CG2-CD1 3.78Å; I459-L483 HydrophobicContact CG2-CD2 4.07Å; I459-L483 HydrophobicContact CG2-CG 4.43Å
460K85.8Confident86.1Confident67 Ų6759.3 Ų59.329%0.29128%0.275SS..Hα-helixtrans-60.8-35.7178.6-74.9176.6179.3-1770112.9Q456 E457 D482 L483 F486Q456-K460 WeakPolarHBondContact O-CB 3.4Å; Q456-K460 WeakPolarHBondContact O-CG 3.21Å; Q456-K460 PolarHBondContact O-N 3.32Å; E457-K460 PolarHBondContact O-N 2.81Å; K460-D482 PolarHBondContact NZ-O 3.34Å; K460-L483 HydrophobicContact CG-CD1 3.77Å; K460-F486 HydrophobicContact CB-CD1 4.23Å; K460-F486 HydrophobicContact CB-CE1 3.86Å; K460-F486 HydrophobicContact CB-CZ 4.09Å; K460-F486 HydrophobicContact CD-CD1 4.47Å; K460-F486 HydrophobicContact CD-CD2 4.46Å; K460-F486 HydrophobicContact CD-CG 4.27Å; K460-F486 HydrophobicContact CG-CD1 3.67Å; K460-F486 HydrophobicContact CG-CD2 4.42Å; K460-F486 HydrophobicContact CG-CE1 3.83Å; K460-F486 HydrophobicContact CG-CG 3.96Å; K460-F486 HydrophobicContact CG-CZ 4.3Å
461R85.3Confident86.1Confident209 Ų20953.3 Ų53.379%0.78925%0.253SS*.Hα-helixtrans-76.7-26.9178.5-71.2178-173-172.65.7113.4E457 T458 I459E457-R461 WeakPolarHBondContact O-CG 3.32Å; E457-R461 PolarHBondContact O-N 2.82Å; T458-R461 PolarHBondContact O-N 3.43Å; I459-R461 VanDerWaalsContact C-N 3.28Å; I459-R461 PolarHBondContact O-N 3.44Å
462G82.4Confident86.2Confident26 Ų2653.6 Ų53.627%0.26825%0.254SS..SBendtrans-10312.5-176.200000115.3T458 I459 N467T458-G462 PolarHBondContact O-N 2.81Å; T458-G462 VanDerWaalsContact O-N 3.13Å; I459-G462 PolarHBondContact O-N 2.93Å; G462-N467 PolarHBondContact O-ND2 3.5Å
463I88.1Confident86.2Confident25 Ų2552.9 Ų52.913%0.12826%0.258CS..  trans-68.1136.6173.9-165.3161000110.3I459 N467 A468 L471 F486 C487 F490I459-I463 PolarHBondContact O-N 3.25Å; I463-N467 WeakPolarHBondContact CA-OD1 3.18Å; I463-A468 HydrophobicContact CD1-CB 4.17Å; I463-A468 HydrophobicContact CG1-CB 4.09Å; I463-L471 HydrophobicContact CB-CD1 4.09Å; I463-L471 HydrophobicContact CD1-CD1 4.44Å; I463-L471 HydrophobicContact CG1-CD1 3.99Å; I463-F486 HydrophobicContact CB-CE1 4.46Å; I463-F486 HydrophobicContact CD1-CE1 4.3Å; I463-F486 HydrophobicContact CG2-CE1 3.81Å; I463-F486 HydrophobicContact CG2-CZ 4.28Å; I463-C487 HydrophobicContact CD1-CB 4.21Å; I463-F490 HydrophobicContact CD1-CB 3.76Å; I463-F490 HydrophobicContact CD1-CD1 3.74Å; I463-F490 HydrophobicContact CD1-CD2 4.38Å; I463-F490 HydrophobicContact CD1-CE1 4.45Å; I463-F490 HydrophobicContact CD1-CG 3.69Å; I463-F490 HydrophobicContact CG1-CD1 3.77Å; I463-F490 HydrophobicContact CG1-CD2 4.39Å; I463-F490 HydrophobicContact CG1-CE1 3.98Å; I463-F490 HydrophobicContact CG1-CG 3.99Å; I463-F490 HydrophobicContact CG1-CZ 4.38Å; I463-F490 HydrophobicContact CG2-CD2 3.75Å; I463-F490 HydrophobicContact CG2-CE2 3.8Å; I463-F490 HydrophobicContact CG2-CG 4.18Å; I463-F490 HydrophobicContact CG2-CZ 4.27Å
464S88.4Confident86.1Confident46 Ų4645.9 Ų45.932%0.32223%0.233SC..  trans-140168.9176.667.50000109.1E466 N467 A468S464-E466 PolarHBondContact O-N 3.17Å; S464-N467 PolarHBondContact N-OD1 2.99Å; S464-N467 PolarHBondContact O-N 2.83Å; S464-N467 PolarHBondContact O-OD1 2.95Å; S464-N467 VanDerWaalsContact OG-CG 3.28Å; S464-N467 PolarHBondContact OG-N 2.9Å; S464-N467 PolarHBondContact OG-ND2 3.31Å; S464-N467 PolarHBondContact OG-OD1 2.78Å; S464-A468 VanDerWaalsContact O-CB 3.26Å; S464-A468 WeakPolarHBondContact O-CB 3.26Å; S464-A468 PolarHBondContact O-N 2.91Å
465E87.4Confident86.1Confident83 Ų8343.5 Ų43.539%0.38822%0.221SC..THydrogen-bonded Turntrans-59.7-33.9178.3-60.9179.2164.900111.7H494 A497 V498 T501E465-H494 HydrophobicContact CG-CB 4.22Å; E465-H494 IonicContact OE1-CE1 3.57Å; E465-H494 IonicContact OE1-CG 3.84Å; E465-H494 IonicContact OE1-ND1 2.68Å; E465-H494 PolarHBondContact OE1-ND1 3.47Å; E465-A497 HydrophobicContact CB-CB 4.25Å; E465-A497 VanDerWaalsContact CD-CB 3.46Å; E465-A497 HydrophobicContact CG-CB 4.18Å; E465-A497 WeakPolarHBondContact OE2-CB 3.47Å; E465-V498 HydrophobicContact CB-CG2 4.5Å; E465-T501 WeakPolarHBondContact O-CG2 3.3Å
466E85.6Confident86.1Confident162 Ų16246.3 Ų46.376%0.75724%0.238SC*.THydrogen-bonded Turntrans-72.8-35.5-178.2-63.6-173.8172.600113.6S464S464-E466 PolarHBondContact O-N 3.17Å
467N87.4Confident86Confident11 Ų1152 Ų526%0.05926%0.262CS..THydrogen-bonded Turntrans-107.1-0.9-17670.912.9000114.1E434 G462 I463 S464 I469 T470 L471E434-N467 HydrophobicContact CG-CB 4.47Å; G462-N467 PolarHBondContact O-ND2 3.5Å; I463-N467 WeakPolarHBondContact CA-OD1 3.18Å; S464-N467 PolarHBondContact N-OD1 2.99Å; S464-N467 PolarHBondContact O-N 2.83Å; S464-N467 PolarHBondContact O-OD1 2.95Å; S464-N467 VanDerWaalsContact OG-CG 3.28Å; S464-N467 PolarHBondContact OG-N 2.9Å; S464-N467 PolarHBondContact OG-ND2 3.31Å; S464-N467 PolarHBondContact OG-OD1 2.78Å; N467-I469 VanDerWaalsContact C-N 3.3Å; N467-I469 PolarHBondContact O-N 3.48Å; N467-T470 PolarHBondContact O-N 3.26Å; N467-T470 PolarHBondContact O-OG1 2.64Å; N467-L471 WeakPolarHBondContact O-CB 3.48Å; N467-L471 VanDerWaalsContact O-CG 3.23Å; N467-L471 WeakPolarHBondContact O-CG 3.36Å; N467-L471 PolarHBondContact O-N 3.1Å; N467-L471 WeakPolarHBondContact OD1-CD1 3.3Å
468A88.4Confident85.6Confident0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-58.7-38.7-175.100000113.5I463 S464 L472 F490 V498I463-A468 HydrophobicContact CD1-CB 4.17Å; I463-A468 HydrophobicContact CG1-CB 4.09Å; S464-A468 VanDerWaalsContact O-CB 3.26Å; S464-A468 WeakPolarHBondContact O-CB 3.26Å; S464-A468 PolarHBondContact O-N 2.91Å; A468-L472 WeakPolarHBondContact O-CB 3.49Å; A468-L472 PolarHBondContact O-N 3.28Å; A468-F490 HydrophobicContact CB-CD1 3.74Å; A468-F490 HydrophobicContact CB-CE1 3.99Å; A468-V498 HydrophobicContact CB-CG2 4.31Å
469I89.2Confident85.4Confident4 Ų456.1 Ų56.12%0.02128%0.277CS..Hα-helixtrans-74.8-40.1179.6-65-56.9000112.4N467 L471 L472 S473 C491 V498 A503 F504 M507N467-I469 VanDerWaalsContact C-N 3.3Å; N467-I469 PolarHBondContact O-N 3.48Å; I469-L471 VanDerWaalsContact C-N 3.3Å; I469-L471 PolarHBondContact O-N 3.06Å; I469-L472 PolarHBondContact O-N 2.9Å; I469-S473 WeakPolarHBondContact O-CB 3.34Å; I469-S473 PolarHBondContact O-N 3.21Å; I469-C491 HydrophobicContact CD1-CB 4.49Å; I469-V498 HydrophobicContact CD1-CG1 3.56Å; I469-V498 HydrophobicContact CG1-CG1 3.48Å; I469-V498 VanDerWaalsContact CG1-CG1 3.48Å; I469-A503 HydrophobicContact CB-CB 4.02Å; I469-A503 HydrophobicContact CG2-CB 4.26Å; I469-A503 VanDerWaalsContact CG2-O 3.27Å; I469-A503 WeakPolarHBondContact CG2-O 3.4Å; I469-F504 HydrophobicContact CD1-CD2 3.85Å; I469-F504 HydrophobicContact CG1-CB 4.12Å; I469-F504 HydrophobicContact CG1-CD2 4.01Å; I469-M507 HydrophobicContact CD1-CE 3.64Å; I469-M507 HydrophobicContact CG1-CE 4.11Å; I469-M507 HydrophobicContact CG2-CB 4.44Å; I469-M507 HydrophobicContact CG2-CE 3.69Å; I469-M507 HydrophobicContact CG2-CG 4.19Å; I469-M507 HydrophobicContact CG2-SD 4.4Å
470T86.9Confident85.2Confident60 Ų6056.2 Ų56.237%0.36828%0.278SS..Hα-helixtrans-63.2-41.9176.754.80000110.2N467 S473 A474 A503N467-T470 PolarHBondContact O-N 3.26Å; N467-T470 PolarHBondContact O-OG1 2.64Å; T470-S473 PolarHBondContact O-N 3.42Å; T470-A474 WeakPolarHBondContact O-CB 3.45Å; T470-A474 PolarHBondContact O-N 2.73Å; T470-A503 HydrophobicContact CG2-CB 3.77Å
471L87.1Confident85.1Confident1 Ų162.6 Ų62.61%0.00530%0.3CS..Hα-helixtrans-65.3-39.9174.3-65.5178.1000112.8I437 I459 I463 N467 I469 A474 A475I437-L471 HydrophobicContact CD1-CD2 3.66Å; I437-L471 HydrophobicContact CG1-CD2 4.04Å; I459-L471 HydrophobicContact CG2-CB 4.34Å; I459-L471 HydrophobicContact CG2-CD1 3.78Å; I459-L471 HydrophobicContact CG2-CD2 3.55Å; I459-L471 HydrophobicContact CG2-CG 4.07Å; I463-L471 HydrophobicContact CB-CD1 4.09Å; I463-L471 HydrophobicContact CD1-CD1 4.44Å; I463-L471 HydrophobicContact CG1-CD1 3.99Å; N467-L471 WeakPolarHBondContact O-CB 3.48Å; N467-L471 VanDerWaalsContact O-CG 3.23Å; N467-L471 WeakPolarHBondContact O-CG 3.36Å; N467-L471 PolarHBondContact O-N 3.1Å; N467-L471 WeakPolarHBondContact OD1-CD1 3.3Å; I469-L471 VanDerWaalsContact C-N 3.3Å; I469-L471 PolarHBondContact O-N 3.06Å; L471-A474 PolarHBondContact O-N 3.04Å; L471-A475 WeakPolarHBondContact O-CB 3.04Å; L471-A475 PolarHBondContact O-N 2.89Å
472L88.1Confident85Confident6 Ų657.6 Ų57.63%0.03129%0.289CS..Hα-helixtrans-64.2-46.3175.7179.361.6000111.7A468 I469 A474 A475 V476 E484 C487 F488 F515A468-L472 WeakPolarHBondContact O-CB 3.49Å; A468-L472 PolarHBondContact O-N 3.28Å; I469-L472 PolarHBondContact O-N 2.9Å; L472-A474 VanDerWaalsContact C-N 3.32Å; L472-A474 PolarHBondContact O-N 2.85Å; L472-A475 PolarHBondContact O-N 3.02Å; L472-V476 WeakPolarHBondContact O-CG2 3.22Å; L472-V476 PolarHBondContact O-N 3.04Å; L472-E484 HydrophobicContact CD1-CG 3.95Å; L472-C487 HydrophobicContact CB-CB 3.93Å; L472-C487 HydrophobicContact CD1-CB 3.91Å; L472-F488 HydrophobicContact CD1-CB 4.1Å; L472-F515 HydrophobicContact CD2-CD2 3.64Å; L472-F515 HydrophobicContact CD2-CE2 3.9Å
473S86.3Confident85.1Confident51 Ų5156.5 Ų56.536%0.35728%0.277SS..Hα-helixtrans-59.3-44.8176.8-177.80000111.2I469 T470 V476 K477I469-S473 WeakPolarHBondContact O-CB 3.34Å; I469-S473 PolarHBondContact O-N 3.21Å; T470-S473 PolarHBondContact O-N 3.42Å; S473-V476 PolarHBondContact O-N 2.9Å; S473-K477 WeakPolarHBondContact O-CB 3.12Å; S473-K477 PolarHBondContact O-N 2.91Å
474A82.8Confident85.2Confident11 Ų1157.8 Ų57.89%0.09128%0.283CS..Hα-helixtrans-61.1-45.3174.100000112.7I437 T470 L471 L472 V476 K477 Y478I437-A474 HydrophobicContact CB-CB 4.26Å; I437-A474 HydrophobicContact CD1-CB 3.36Å; I437-A474 HydrophobicContact CG1-CB 3.66Å; I437-A474 HydrophobicContact CG2-CB 3.54Å; T470-A474 WeakPolarHBondContact O-CB 3.45Å; T470-A474 PolarHBondContact O-N 2.73Å; L471-A474 PolarHBondContact O-N 3.04Å; L472-A474 VanDerWaalsContact C-N 3.32Å; L472-A474 PolarHBondContact O-N 2.85Å; A474-V476 VanDerWaalsContact C-N 3.27Å; A474-V476 PolarHBondContact O-N 2.98Å; A474-K477 PolarHBondContact O-N 2.91Å; A474-K477 VanDerWaalsContact O-N 3.16Å; A474-Y478 HydrophobicContact CB-CD2 4.4Å; A474-Y478 HydrophobicContact CB-CE2 4.36Å; A474-Y478 WeakPolarHBondContact O-CD2 3.44Å; A474-Y478 PolarHBondContact O-N 2.9Å
475A85.4Confident85.2Confident0 Ų059.8 Ų59.80%029%0.287CS..Hα-helixtrans-60.3-37.9179.600000112.4L471 L472 E479 A480 L483 E484L471-A475 WeakPolarHBondContact O-CB 3.04Å; L471-A475 PolarHBondContact O-N 2.89Å; L472-A475 PolarHBondContact O-N 3.02Å; A475-E479 PolarHBondContact O-N 2.81Å; A475-A480 PolarHBondContact O-N 3.33Å; A475-L483 HydrophobicContact CB-CB 4.07Å; A475-L483 HydrophobicContact CB-CD2 4.03Å; A475-L483 HydrophobicContact CB-CG 3.92Å; A475-E484 HydrophobicContact CB-CB 3.98Å
476V85.1Confident85.2Confident59 Ų5959.4 Ų59.436%0.35828%0.284SS..Hα-helixtrans-67.5-48.1173174.60000111L472 S473 A474 Y478 E479 E484 L511L472-V476 WeakPolarHBondContact O-CG2 3.22Å; L472-V476 PolarHBondContact O-N 3.04Å; S473-V476 PolarHBondContact O-N 2.9Å; A474-V476 VanDerWaalsContact C-N 3.27Å; A474-V476 PolarHBondContact O-N 2.98Å; V476-Y478 VanDerWaalsContact C-N 3.28Å; V476-Y478 PolarHBondContact O-N 3.5Å; V476-E479 PolarHBondContact O-N 2.84Å; V476-E484 HydrophobicContact CG2-CG 3.74Å; V476-L511 HydrophobicContact CB-CD1 4.21Å; V476-L511 HydrophobicContact CG1-CD1 4.26Å; V476-L511 HydrophobicContact CG2-CD1 3.76Å
477K82.9Confident85.4Confident147 Ų14751.7 Ų51.764%0.63925%0.248SC*.Hα-helixtrans-56.5-39.5-179.3-175.9-175.6175.4-161.50112.8S473 A474S473-K477 WeakPolarHBondContact O-CB 3.12Å; S473-K477 PolarHBondContact O-N 2.91Å; A474-K477 PolarHBondContact O-N 2.91Å; A474-K477 VanDerWaalsContact O-N 3.16Å
478Y76.2Confident85.6Confident47 Ų4751.3 Ų51.318%0.18425%0.246CC..THydrogen-bonded Turntrans-100.216.2-177.8-57-68.4000113.8I437 D441 A474 V476 A480I437-Y478 HydrophobicContact CG2-CD2 3.86Å; I437-Y478 HydrophobicContact CG2-CE2 3.24Å; D441-Y478 HydrophobicContact CB-CD1 3.85Å; D441-Y478 HydrophobicContact CB-CE1 3.51Å; D441-Y478 WeakPolarHBondContact OD2-CE1 3.39Å; A474-Y478 HydrophobicContact CB-CD2 4.4Å; A474-Y478 HydrophobicContact CB-CE2 4.36Å; A474-Y478 WeakPolarHBondContact O-CD2 3.44Å; A474-Y478 PolarHBondContact O-N 2.9Å; V476-Y478 VanDerWaalsContact C-N 3.28Å; V476-Y478 PolarHBondContact O-N 3.5Å; Y478-A480 PolarHBondContact O-N 2.89Å; Y478-A480 VanDerWaalsContact O-N 3.09Å
479E79.3Confident85.7Confident163 Ų16355.5 Ų55.576%0.76226%0.264SS*.THydrogen-bonded Turntrans52.931.8178-56.6-174178.900114.3A475 V476 R481A475-E479 PolarHBondContact O-N 2.81Å; V476-E479 PolarHBondContact O-N 2.84Å; E479-R481 PolarHBondContact O-N 2.98Å
480A81.1Confident85.8Confident3 Ų357.2 Ų57.23%0.02527%0.272CS..  trans-85.273.4-178.700000110.9L440 A475 Y478 D482 L483 E484L440-A480 HydrophobicContact CD2-CB 4.12Å; A475-A480 PolarHBondContact O-N 3.33Å; Y478-A480 PolarHBondContact O-N 2.89Å; Y478-A480 VanDerWaalsContact O-N 3.09Å; A480-D482 VanDerWaalsContact C-N 3.34Å; A480-D482 PolarHBondContact O-N 2.85Å; A480-L483 HydrophobicContact CB-CB 3.97Å; A480-L483 HydrophobicContact CB-CD2 4.47Å; A480-L483 WeakPolarHBondContact O-CA 3.34Å; A480-L483 WeakPolarHBondContact O-CB 3.29Å; A480-L483 PolarHBondContact O-N 3.04Å; A480-E484 PolarHBondContact O-N 3.01Å
481R83.5Confident85.9Confident200 Ų20054.4 Ų54.476%0.75525%0.254SS*.Hα-helixtrans-49-46.5-173.2-63.3-175.2-175.4176.81.9114.8E479 L483 E484 E485E479-R481 PolarHBondContact O-N 2.98Å; R481-L483 PolarHBondContact O-N 3.34Å; R481-E484 PolarHBondContact O-N 2.81Å; R481-E485 PolarHBondContact O-N 3.32Å
482D83.2Confident86.1Confident104 Ų10455.3 Ų55.356%0.55626%0.26SS*.Hα-helixtrans-67.3-26.5-179.4-65.3-11.2000113.3K460 A480K460-D482 PolarHBondContact NZ-O 3.34Å; A480-D482 VanDerWaalsContact C-N 3.34Å; A480-D482 PolarHBondContact O-N 2.85Å
483L85.1Confident86.1Confident3 Ų361.2 Ų61.22%0.01629%0.292CS..Hα-helixtrans-83.7-41.4175.7-173.964.8000110.1L440 I459 K460 A475 A480 R481 E485 F486 C487L440-L483 HydrophobicContact CD2-CD2 4.22Å; I459-L483 HydrophobicContact CB-CD1 4.09Å; I459-L483 HydrophobicContact CB-CD2 4.38Å; I459-L483 HydrophobicContact CD1-CD2 3.81Å; I459-L483 HydrophobicContact CG2-CD1 3.78Å; I459-L483 HydrophobicContact CG2-CD2 4.07Å; I459-L483 HydrophobicContact CG2-CG 4.43Å; K460-L483 HydrophobicContact CG-CD1 3.77Å; A475-L483 HydrophobicContact CB-CB 4.07Å; A475-L483 HydrophobicContact CB-CD2 4.03Å; A475-L483 HydrophobicContact CB-CG 3.92Å; A480-L483 HydrophobicContact CB-CB 3.97Å; A480-L483 HydrophobicContact CB-CD2 4.47Å; A480-L483 WeakPolarHBondContact O-CA 3.34Å; A480-L483 WeakPolarHBondContact O-CB 3.29Å; A480-L483 PolarHBondContact O-N 3.04Å; R481-L483 PolarHBondContact O-N 3.34Å; L483-E485 PolarHBondContact O-N 3.23Å; L483-F486 PolarHBondContact O-N 2.9Å; L483-C487 WeakPolarHBondContact O-CB 3.33Å; L483-C487 PolarHBondContact O-N 3.03Å; L483-C487 PolarHBondContact O-SG 3.11Å; L483-C487 VanDerWaalsContact O-SG 3.32Å
484E88.9Confident86.1Confident52 Ų5262.1 Ų62.124%0.24329%0.29CS..Hα-helixtrans-57.1-49176.1-174.6-155.1135.900111L472 A475 V476 A480 R481 F486 C487 F488 K518L472-E484 HydrophobicContact CD1-CG 3.95Å; A475-E484 HydrophobicContact CB-CB 3.98Å; V476-E484 HydrophobicContact CG2-CG 3.74Å; A480-E484 PolarHBondContact O-N 3.01Å; R481-E484 PolarHBondContact O-N 2.81Å; E484-F486 VanDerWaalsContact C-N 3.3Å; E484-F486 PolarHBondContact O-N 2.9Å; E484-C487 PolarHBondContact O-N 2.89Å; E484-F488 WeakPolarHBondContact O-CB 3.15Å; E484-F488 PolarHBondContact O-N 2.69Å; E484-K518 IonicContact OE1-NZ 2.92Å; E484-K518 PolarHBondContact OE1-NZ 2.93Å
485E88.6Confident86.4Confident88 Ų8863 Ų6341%0.41129%0.293SS..Hα-helixtrans-62.8-39180-167.5-176.1155.600112R481 L483 K489R481-E485 PolarHBondContact O-N 3.32Å; L483-E485 PolarHBondContact O-N 3.23Å; E485-K489 HydrophobicContact CG-CD 4.49Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.43Å; E485-K489 WeakPolarHBondContact OE1-CE 3.44Å; E485-K489 IonicContact OE1-NZ 2.94Å; E485-K489 PolarHBondContact OE1-NZ 3.33Å
486F89.1Confident86.3Confident75 Ų7568 Ų6833%0.32932%0.324SS..Hα-helixtrans-66.9-52.1177.4178.1-91.5000111.9K460 I463 L483 E484 F488 K489 F490K460-F486 HydrophobicContact CB-CD1 4.23Å; K460-F486 HydrophobicContact CB-CE1 3.86Å; K460-F486 HydrophobicContact CB-CZ 4.09Å; K460-F486 HydrophobicContact CD-CD1 4.47Å; K460-F486 HydrophobicContact CD-CD2 4.46Å; K460-F486 HydrophobicContact CD-CG 4.27Å; K460-F486 HydrophobicContact CG-CD1 3.67Å; K460-F486 HydrophobicContact CG-CD2 4.42Å; K460-F486 HydrophobicContact CG-CE1 3.83Å; K460-F486 HydrophobicContact CG-CG 3.96Å; K460-F486 HydrophobicContact CG-CZ 4.3Å; I463-F486 HydrophobicContact CB-CE1 4.46Å; I463-F486 HydrophobicContact CD1-CE1 4.3Å; I463-F486 HydrophobicContact CG2-CE1 3.81Å; I463-F486 HydrophobicContact CG2-CZ 4.28Å; L483-F486 PolarHBondContact O-N 2.9Å; E484-F486 VanDerWaalsContact C-N 3.3Å; E484-F486 PolarHBondContact O-N 2.9Å; F486-F488 VanDerWaalsContact C-N 3.28Å; F486-F488 PolarHBondContact O-N 2.85Å; F486-K489 PolarHBondContact O-N 2.96Å; F486-F490 PolarHBondContact O-N 3.05Å
487C89.8Confident86.4Confident0 Ų066.6 Ų66.60%032%0.318CS..Hα-helixtrans-58.8-42.1177.5-67.70000110.8I463 L472 L483 E484 K489 F490 C491I463-C487 HydrophobicContact CD1-CB 4.21Å; L472-C487 HydrophobicContact CB-CB 3.93Å; L472-C487 HydrophobicContact CD1-CB 3.91Å; L483-C487 WeakPolarHBondContact O-CB 3.33Å; L483-C487 PolarHBondContact O-N 3.03Å; L483-C487 PolarHBondContact O-SG 3.11Å; L483-C487 VanDerWaalsContact O-SG 3.32Å; E484-C487 PolarHBondContact O-N 2.89Å; C487-K489 PolarHBondContact O-N 3.32Å; C487-F490 PolarHBondContact O-N 3.24Å; C487-C491 PolarHBondContact O-N 3.29Å; C487-C491 PolarHBondContact O-SG 2.89Å
488F91.5Very high86.7Confident4 Ų459.6 Ų59.62%0.01829%0.288CS..Hα-helixtrans-60.7-47177.2175.8-96.6000112.4L472 E484 F486 F490 C491 V492 F515 K518 A519 Y522L472-F488 HydrophobicContact CD1-CB 4.1Å; E484-F488 WeakPolarHBondContact O-CB 3.15Å; E484-F488 PolarHBondContact O-N 2.69Å; F486-F488 VanDerWaalsContact C-N 3.28Å; F486-F488 PolarHBondContact O-N 2.85Å; F488-F490 VanDerWaalsContact C-N 3.32Å; F488-F490 PolarHBondContact O-N 3.14Å; F488-C491 PolarHBondContact O-N 3.33Å; F488-V492 HydrophobicContact CD1-CG2 4.43Å; F488-V492 HydrophobicContact CE1-CG2 3.85Å; F488-V492 HydrophobicContact CE2-CG2 3.94Å; F488-V492 HydrophobicContact CZ-CG2 3.56Å; F488-V492 WeakPolarHBondContact O-CG2 3.44Å; F488-V492 PolarHBondContact O-N 2.81Å; F488-F515 AromaticContact CD2-CD2 3.72Å; F488-F515 HydrophobicContact CD2-CD2 3.72Å; F488-F515 AromaticContact CD2-CE2 3.75Å; F488-F515 HydrophobicContact CD2-CE2 3.75Å; F488-F515 AromaticContact CE2-CD2 3.78Å; F488-F515 HydrophobicContact CE2-CD2 3.78Å; F488-F515 AromaticContact CE2-CE2 3.85Å; F488-F515 HydrophobicContact CE2-CE2 3.85Å; F488-K518 HydrophobicContact CD1-CD 4.14Å; F488-K518 HydrophobicContact CD1-CG 4.43Å; F488-K518 HydrophobicContact CD2-CD 3.88Å; F488-K518 HydrophobicContact CD2-CG 4.4Å; F488-K518 HydrophobicContact CE1-CB 4.46Å; F488-K518 HydrophobicContact CE1-CD 4.02Å; F488-K518 HydrophobicContact CE1-CG 3.8Å; F488-K518 HydrophobicContact CE2-CB 3.66Å; F488-K518 HydrophobicContact CE2-CD 3.75Å; F488-K518 HydrophobicContact CE2-CG 3.77Å; F488-K518 HydrophobicContact CG-CD 4.09Å; F488-K518 HydrophobicContact CZ-CB 3.6Å; F488-K518 HydrophobicContact CZ-CD 3.83Å; F488-K518 HydrophobicContact CZ-CG 3.43Å; F488-K518 VanDerWaalsContact CZ-CG 3.43Å; F488-A519 HydrophobicContact CZ-CB 4.37Å; F488-Y522 HydrophobicContact CE1-CD1 4.47Å; F488-Y522 AromaticContact CE1-CD2 3.68Å; F488-Y522 HydrophobicContact CE1-CD2 3.68Å; F488-Y522 AromaticContact CE1-CE2 3.83Å; F488-Y522 HydrophobicContact CE1-CE2 3.83Å; F488-Y522 HydrophobicContact CE1-CG 4.02Å; F488-Y522 HydrophobicContact CZ-CD2 4.21Å
489K89.4Confident87.2Confident87 Ų8760.1 Ų60.138%0.37830%0.296SS..Hα-helixtrans-61.1-41.9176.7-80.2172.9172.9163.20111.7E485 F486 C487 V492 N493E485-K489 HydrophobicContact CG-CD 4.49Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.43Å; E485-K489 WeakPolarHBondContact OE1-CE 3.44Å; E485-K489 IonicContact OE1-NZ 2.94Å; E485-K489 PolarHBondContact OE1-NZ 3.33Å; F486-K489 PolarHBondContact O-N 2.96Å; C487-K489 PolarHBondContact O-N 3.32Å; K489-V492 PolarHBondContact O-N 3.1Å; K489-N493 PolarHBondContact O-N 2.96Å; K489-N493 VanDerWaalsContact O-N 3.07Å
490F90.7Very high87.6Confident41 Ų4159.8 Ų59.818%0.1829%0.294CS..Hα-helixtrans-60.1-49.6175.2-173.3-85.7000111.2I463 A468 F486 C487 F488 V492 N493 H494I463-F490 HydrophobicContact CD1-CB 3.76Å; I463-F490 HydrophobicContact CD1-CD1 3.74Å; I463-F490 HydrophobicContact CD1-CD2 4.38Å; I463-F490 HydrophobicContact CD1-CE1 4.45Å; I463-F490 HydrophobicContact CD1-CG 3.69Å; I463-F490 HydrophobicContact CG1-CD1 3.77Å; I463-F490 HydrophobicContact CG1-CD2 4.39Å; I463-F490 HydrophobicContact CG1-CE1 3.98Å; I463-F490 HydrophobicContact CG1-CG 3.99Å; I463-F490 HydrophobicContact CG1-CZ 4.38Å; I463-F490 HydrophobicContact CG2-CD2 3.75Å; I463-F490 HydrophobicContact CG2-CE2 3.8Å; I463-F490 HydrophobicContact CG2-CG 4.18Å; I463-F490 HydrophobicContact CG2-CZ 4.27Å; A468-F490 HydrophobicContact CB-CD1 3.74Å; A468-F490 HydrophobicContact CB-CE1 3.99Å; F486-F490 PolarHBondContact O-N 3.05Å; C487-F490 PolarHBondContact O-N 3.24Å; F488-F490 VanDerWaalsContact C-N 3.32Å; F488-F490 PolarHBondContact O-N 3.14Å; F490-V492 VanDerWaalsContact C-N 3.3Å; F490-V492 PolarHBondContact O-N 3.23Å; F490-N493 PolarHBondContact O-N 2.9Å; F490-H494 AromaticContact CE2-CD2 3.99Å; F490-H494 AromaticContact CE2-NE2 3.98Å; F490-H494 AromaticContact CZ-CD2 3.95Å; F490-H494 PolarHBondContact O-CD2 3.05Å; F490-H494 PolarHBondContact O-N 3.11Å
491C90.8Very high88.1Confident0 Ų060.8 Ų60.80%030%0.3CS..Hα-helixtrans-58.2-39.5178.1-65.60000113.1I469 C487 F488 H494 L495 V498 F515I469-C491 HydrophobicContact CD1-CB 4.49Å; C487-C491 PolarHBondContact O-N 3.29Å; C487-C491 PolarHBondContact O-SG 2.89Å; F488-C491 PolarHBondContact O-N 3.33Å; C491-H494 CarbonylContact O-C 3.31Å; C491-L495 WeakPolarHBondContact O-CA 3.33Å; C491-L495 PolarHBondContact O-N 2.91Å; C491-V498 HydrophobicContact CB-CG1 4.37Å; C491-F515 HydrophobicContact CB-CE2 3.61Å; C491-F515 HydrophobicContact CB-CZ 3.71Å
492V89.8Confident88.2Confident21 Ų2157.5 Ų57.513%0.12729%0.294CS..Hα-helixtrans-69.6-39.6178.6169.40000111.9F488 K489 F490 H494 L495 A519 A524F488-V492 HydrophobicContact CD1-CG2 4.43Å; F488-V492 HydrophobicContact CE1-CG2 3.85Å; F488-V492 HydrophobicContact CE2-CG2 3.94Å; F488-V492 HydrophobicContact CZ-CG2 3.56Å; F488-V492 WeakPolarHBondContact O-CG2 3.44Å; F488-V492 PolarHBondContact O-N 2.81Å; K489-V492 PolarHBondContact O-N 3.1Å; F490-V492 VanDerWaalsContact C-N 3.3Å; F490-V492 PolarHBondContact O-N 3.23Å; V492-H494 VanDerWaalsContact C-N 3.29Å; V492-H494 PolarHBondContact O-N 3.1Å; V492-L495 WeakPolarHBondContact O-CB 3.46Å; V492-L495 PolarHBondContact O-N 3.33Å; V492-A519 HydrophobicContact CG2-CB 4.14Å; V492-A524 HydrophobicContact CG1-CB 3.77Å
493N87.8Confident88.4Confident130 Ų13053.6 Ų53.670%0.69528%0.275SS*.Hα-helixtrans-68-30.5178-70.5-14.2000112.5K489 F490K489-N493 PolarHBondContact O-N 2.96Å; K489-N493 VanDerWaalsContact O-N 3.07Å; F490-N493 PolarHBondContact O-N 2.9Å
494H88.1Confident88.5Confident70 Ų7055.1 Ų55.132%0.32428%0.282SS..THydrogen-bonded Turntrans-108.826.6-179.5-65.5-95.8000112.6E465 F490 C491 V492 T496 A497 V498E465-H494 HydrophobicContact CG-CB 4.22Å; E465-H494 IonicContact OE1-CE1 3.57Å; E465-H494 IonicContact OE1-CG 3.84Å; E465-H494 IonicContact OE1-ND1 2.68Å; E465-H494 PolarHBondContact OE1-ND1 3.47Å; F490-H494 AromaticContact CE2-CD2 3.99Å; F490-H494 AromaticContact CE2-NE2 3.98Å; F490-H494 AromaticContact CZ-CD2 3.95Å; F490-H494 PolarHBondContact O-CD2 3.05Å; F490-H494 PolarHBondContact O-N 3.11Å; C491-H494 CarbonylContact O-C 3.31Å; V492-H494 VanDerWaalsContact C-N 3.29Å; V492-H494 PolarHBondContact O-N 3.1Å; H494-T496 VanDerWaalsContact C-N 3.27Å; H494-T496 PolarHBondContact O-N 2.87Å; H494-T496 VanDerWaalsContact O-N 3.11Å; H494-A497 PolarHBondContact O-N 3.34Å; H494-V498 HydrophobicContact CB-CG2 3.97Å; H494-V498 WeakPolarHBondContact O-CG2 3.48Å; H494-V498 PolarHBondContact O-N 3.3Å
495L87.4Confident88.3Confident28 Ų2856 Ų5615%0.14730%0.298CS..Hα-helixtrans-53.6-40.8-166.8-169.470.4000113.5C491 V492 A497 T499 F515 A524 F525C491-L495 WeakPolarHBondContact O-CA 3.33Å; C491-L495 PolarHBondContact O-N 2.91Å; V492-L495 WeakPolarHBondContact O-CB 3.46Å; V492-L495 PolarHBondContact O-N 3.33Å; L495-A497 PolarHBondContact O-N 2.79Å; L495-T499 HydrophobicContact CD1-CG2 3.98Å; L495-T499 HydrophobicContact CG-CG2 4.1Å; L495-T499 WeakPolarHBondContact O-CB 3.48Å; L495-T499 WeakPolarHBondContact O-CG2 3.28Å; L495-T499 PolarHBondContact O-N 2.96Å; L495-T499 PolarHBondContact O-OG1 3.16Å; L495-F515 HydrophobicContact CD1-CE1 3.83Å; L495-F515 HydrophobicContact CD1-CZ 3.99Å; L495-A524 HydrophobicContact CD2-CB 4.16Å; L495-F525 HydrophobicContact CD2-CD1 4.48Å; L495-F525 HydrophobicContact CD2-CE1 3.92Å; L495-F525 HydrophobicContact CD2-CZ 4.41Å
496T85.1Confident88.3Confident106 Ų10657.2 Ų57.265%0.6531%0.308SS*.Hα-helixtrans-61.4-43.4-179.6-50.30000112.5H494 T499 Q500H494-T496 VanDerWaalsContact C-N 3.27Å; H494-T496 PolarHBondContact O-N 2.87Å; H494-T496 VanDerWaalsContact O-N 3.11Å; T496-T499 PolarHBondContact O-OG1 3.24Å; T496-Q500 WeakPolarHBondContact O-CG 3.34Å; T496-Q500 PolarHBondContact O-NE2 3.32Å
497A86.9Confident88.1Confident30 Ų3054.6 Ų54.625%0.24830%0.297CS..Hα-helixtrans-76.7-44.9-179.900000110.8E465 H494 L495 T499 Q500E465-A497 HydrophobicContact CB-CB 4.25Å; E465-A497 VanDerWaalsContact CD-CB 3.46Å; E465-A497 HydrophobicContact CG-CB 4.18Å; E465-A497 WeakPolarHBondContact OE2-CB 3.47Å; H494-A497 PolarHBondContact O-N 3.34Å; L495-A497 PolarHBondContact O-N 2.79Å; A497-T499 VanDerWaalsContact C-N 3.33Å; A497-T499 PolarHBondContact O-N 3.25Å; A497-Q500 PolarHBondContact O-N 3.34Å; A497-Q500 VanDerWaalsContact O-N 3.09Å
498V88.5Confident88.1Confident0 Ų059.2 Ų59.20%032%0.321CS..Hα-helixtrans-61.6-39.5-178.1173.70000111.9E465 A468 I469 C491 H494 Q500 T501 F504E465-V498 HydrophobicContact CB-CG2 4.5Å; A468-V498 HydrophobicContact CB-CG2 4.31Å; I469-V498 HydrophobicContact CD1-CG1 3.56Å; I469-V498 HydrophobicContact CG1-CG1 3.48Å; I469-V498 VanDerWaalsContact CG1-CG1 3.48Å; C491-V498 HydrophobicContact CB-CG1 4.37Å; H494-V498 HydrophobicContact CB-CG2 3.97Å; H494-V498 WeakPolarHBondContact O-CG2 3.48Å; H494-V498 PolarHBondContact O-N 3.3Å; V498-Q500 PolarHBondContact O-N 3.32Å; V498-T501 WeakPolarHBondContact O-CB 3.17Å; V498-T501 PolarHBondContact O-N 3.36Å; V498-T501 VanDerWaalsContact O-N 3.16Å; V498-T501 PolarHBondContact O-OG1 2.97Å; V498-F504 HydrophobicContact CG1-CD2 4.35Å; V498-F504 VanDerWaalsContact O-CB 3.23Å; V498-F504 WeakPolarHBondContact O-CB 3.24Å
499T86.8Confident87.8Confident57 Ų5766.4 Ų66.435%0.3536%0.355SS..THydrogen-bonded Turntrans-69-15.3178.751.90000114.3L495 T496 A497 F504L495-T499 HydrophobicContact CD1-CG2 3.98Å; L495-T499 HydrophobicContact CG-CG2 4.1Å; L495-T499 WeakPolarHBondContact O-CB 3.48Å; L495-T499 WeakPolarHBondContact O-CG2 3.28Å; L495-T499 PolarHBondContact O-N 2.96Å; L495-T499 PolarHBondContact O-OG1 3.16Å; T496-T499 PolarHBondContact O-OG1 3.24Å; A497-T499 VanDerWaalsContact C-N 3.33Å; A497-T499 PolarHBondContact O-N 3.25Å; T499-F504 HydrophobicContact CG2-CD1 4.33Å; T499-F504 HydrophobicContact CG2-CD2 4.23Å; T499-F504 HydrophobicContact CG2-CE1 3.95Å; T499-F504 HydrophobicContact CG2-CE2 3.85Å; T499-F504 HydrophobicContact CG2-CG 4.48Å; T499-F504 HydrophobicContact CG2-CZ 3.72Å
500Q88.6Confident87.6Confident156 Ų15667.7 Ų67.773%0.72937%0.366SS*.THydrogen-bonded Turntrans-91.6-4.8175.7-64.8175.716.700112.9T496 A497 V498T496-Q500 WeakPolarHBondContact O-CG 3.34Å; T496-Q500 PolarHBondContact O-NE2 3.32Å; A497-Q500 PolarHBondContact O-N 3.34Å; A497-Q500 VanDerWaalsContact O-N 3.09Å; V498-Q500 PolarHBondContact O-N 3.32Å
501T90.3Very high87.4Confident24 Ų2466.8 Ų66.815%0.14736%0.362CS..SBendtrans-78.6150.1179.465.50000112.3E465 V498 A503 F504 A505E465-T501 WeakPolarHBondContact O-CG2 3.3Å; V498-T501 WeakPolarHBondContact O-CB 3.17Å; V498-T501 PolarHBondContact O-N 3.36Å; V498-T501 VanDerWaalsContact O-N 3.16Å; V498-T501 PolarHBondContact O-OG1 2.97Å; T501-A503 VanDerWaalsContact C-N 3.25Å; T501-A503 PolarHBondContact O-N 2.93Å; T501-F504 PolarHBondContact O-N 3.34Å; T501-F504 PolarHBondContact OG1-N 2.77Å; T501-A505 PolarHBondContact O-N 2.94Å
502Q86.9Confident87.3Confident132 Ų13268.7 Ų68.762%0.61737%0.373SS*.Hα-helixtrans-60.6-36.9174-172.25939.800111.7F504 A505 D506Q502-F504 VanDerWaalsContact C-N 3.27Å; Q502-F504 PolarHBondContact O-N 3.05Å; Q502-A505 WeakPolarHBondContact O-CB 3.17Å; Q502-A505 PolarHBondContact O-N 3.01Å; Q502-A505 VanDerWaalsContact O-N 3.08Å; Q502-D506 WeakPolarHBondContact CG-OD2 3.36Å; Q502-D506 VanDerWaalsContact NE2-CG 3.31Å; Q502-D506 PolarHBondContact NE2-OD1 2.92Å; Q502-D506 VanDerWaalsContact NE2-OD1 3.07Å; Q502-D506 PolarHBondContact NE2-OD2 2.94Å; Q502-D506 PolarHBondContact O-N 3.1Å
503A85.6Confident87.2Confident21 Ų2174.9 Ų74.917%0.17440%0.398CS..Hα-helixtrans-60.8-34176.900000113.1I469 T470 T501 M507I469-A503 HydrophobicContact CB-CB 4.02Å; I469-A503 HydrophobicContact CG2-CB 4.26Å; I469-A503 VanDerWaalsContact CG2-O 3.27Å; I469-A503 WeakPolarHBondContact CG2-O 3.4Å; T470-A503 HydrophobicContact CG2-CB 3.77Å; T501-A503 VanDerWaalsContact C-N 3.25Å; T501-A503 PolarHBondContact O-N 2.93Å; A503-M507 PolarHBondContact O-N 2.98Å
504F87.8Confident87.2Confident35 Ų3573.9 Ų73.915%0.15439%0.392CS..Hα-helixtrans-71.3-38.6173.6-171.5-87.1000112.1I469 V498 T499 T501 Q502 D506 M507 L512 F515I469-F504 HydrophobicContact CD1-CD2 3.85Å; I469-F504 HydrophobicContact CG1-CB 4.12Å; I469-F504 HydrophobicContact CG1-CD2 4.01Å; V498-F504 HydrophobicContact CG1-CD2 4.35Å; V498-F504 VanDerWaalsContact O-CB 3.23Å; V498-F504 WeakPolarHBondContact O-CB 3.24Å; T499-F504 HydrophobicContact CG2-CD1 4.33Å; T499-F504 HydrophobicContact CG2-CD2 4.23Å; T499-F504 HydrophobicContact CG2-CE1 3.95Å; T499-F504 HydrophobicContact CG2-CE2 3.85Å; T499-F504 HydrophobicContact CG2-CG 4.48Å; T499-F504 HydrophobicContact CG2-CZ 3.72Å; T501-F504 PolarHBondContact O-N 3.34Å; T501-F504 PolarHBondContact OG1-N 2.77Å; Q502-F504 VanDerWaalsContact C-N 3.27Å; Q502-F504 PolarHBondContact O-N 3.05Å; F504-D506 VanDerWaalsContact C-N 3.31Å; F504-D506 PolarHBondContact O-N 2.91Å; F504-M507 HydrophobicContact CB-CE 4.38Å; F504-M507 HydrophobicContact CD2-CE 3.19Å; F504-M507 HydrophobicContact CE2-CE 3.41Å; F504-M507 VanDerWaalsContact CE2-CE 3.41Å; F504-M507 HydrophobicContact CG-CE 3.83Å; F504-M507 HydrophobicContact CZ-CE 4.2Å; F504-M507 VanDerWaalsContact O-CB 3.27Å; F504-M507 WeakPolarHBondContact O-CB 3.39Å; F504-M507 PolarHBondContact O-N 2.84Å; F504-L512 HydrophobicContact CE1-CD1 3.94Å; F504-L512 HydrophobicContact CE2-CD1 4.13Å; F504-L512 HydrophobicContact CZ-CD1 3.55Å; F504-F515 HydrophobicContact CE2-CD1 4.04Å; F504-F515 AromaticContact CE2-CE1 3.84Å; F504-F515 HydrophobicContact CE2-CE1 3.84Å
505A86Confident87.2Confident71 Ų7170.9 Ų70.959%0.58738%0.379SS*.Hα-helixtrans-64.6-36.5176.600000112.3T501 Q502 M507T501-A505 PolarHBondContact O-N 2.94Å; Q502-A505 WeakPolarHBondContact O-CB 3.17Å; Q502-A505 PolarHBondContact O-N 3.01Å; Q502-A505 VanDerWaalsContact O-N 3.08Å; A505-M507 VanDerWaalsContact C-N 3.28Å; A505-M507 PolarHBondContact O-N 3.21Å
506D87.2Confident87.2Confident114 Ų11473.3 Ų73.361%0.6139%0.391SS*.THydrogen-bonded Turntrans-89.110.5-179.2-61.5-28.1000113.2Q502 F504Q502-D506 WeakPolarHBondContact CG-OD2 3.36Å; Q502-D506 VanDerWaalsContact NE2-CG 3.31Å; Q502-D506 PolarHBondContact NE2-OD1 2.92Å; Q502-D506 VanDerWaalsContact NE2-OD1 3.07Å; Q502-D506 PolarHBondContact NE2-OD2 2.94Å; Q502-D506 PolarHBondContact O-N 3.1Å; F504-D506 VanDerWaalsContact C-N 3.31Å; F504-D506 PolarHBondContact O-N 2.91Å
507M86.2Confident87.2Confident19 Ų1970.7 Ų70.79%0.09438%0.377CS..  trans-68.1138.1-177.5-162.9-174.7-38.100111.7I469 A503 F504 A505 L511 L512 F515I469-M507 HydrophobicContact CD1-CE 3.64Å; I469-M507 HydrophobicContact CG1-CE 4.11Å; I469-M507 HydrophobicContact CG2-CB 4.44Å; I469-M507 HydrophobicContact CG2-CE 3.69Å; I469-M507 HydrophobicContact CG2-CG 4.19Å; I469-M507 HydrophobicContact CG2-SD 4.4Å; A503-M507 PolarHBondContact O-N 2.98Å; F504-M507 HydrophobicContact CB-CE 4.38Å; F504-M507 HydrophobicContact CD2-CE 3.19Å; F504-M507 HydrophobicContact CE2-CE 3.41Å; F504-M507 VanDerWaalsContact CE2-CE 3.41Å; F504-M507 HydrophobicContact CG-CE 3.83Å; F504-M507 HydrophobicContact CZ-CE 4.2Å; F504-M507 VanDerWaalsContact O-CB 3.27Å; F504-M507 WeakPolarHBondContact O-CB 3.39Å; F504-M507 PolarHBondContact O-N 2.84Å; A505-M507 VanDerWaalsContact C-N 3.28Å; A505-M507 PolarHBondContact O-N 3.21Å; M507-L511 HydrophobicContact CG-CB 4.23Å; M507-L511 HydrophobicContact CG-CD2 3.79Å; M507-L511 HydrophobicContact CG-CG 4.11Å; M507-L511 HydrophobicContact SD-CB 4.42Å; M507-L511 HydrophobicContact SD-CD2 4.12Å; M507-L511 HydrophobicContact SD-CG 3.98Å; M507-L512 HydrophobicContact CE-CD1 4.01Å; M507-L512 HydrophobicContact CG-CB 4.44Å; M507-L512 HydrophobicContact SD-CB 4.08Å; M507-L512 HydrophobicContact SD-CD1 4.09Å; M507-F515 HydrophobicContact SD-CB 4.47Å
508D88.1Confident87.2Confident97 Ų9772.3 Ų72.352%0.51938%0.378SS..  trans-54.9141175.2177.774.1000112.3D510 L511 L512D508-D510 VanDerWaalsContact C-N 3.33Å; D508-D510 PolarHBondContact O-N 3.15Å; D508-D510 WeakPolarHBondContact OD2-CB 3.46Å; D508-D510 PolarHBondContact OD2-N 3.15Å; D508-L511 HydrophobicContact CB-CB 4.07Å; D508-L511 PolarHBondContact O-N 3.41Å; D508-L511 PolarHBondContact OD2-N 2.8Å; D508-L512 WeakPolarHBondContact O-CB 3.35Å; D508-L512 PolarHBondContact O-N 2.89Å
509H85.4Confident87.1Confident156 Ų15672.3 Ų72.372%0.72238%0.378SS*.Hα-helixtrans-60.6-38.5-173.1-98.3-54.3000113.5K513H509-K513 WeakPolarHBondContact O-CB 3.28Å; H509-K513 PolarHBondContact O-N 2.97Å; H509-K513 VanDerWaalsContact O-N 3.08Å
510D85.9Confident86.8Confident113 Ų11372.6 Ų72.660%0.60438%0.382SS*.Hα-helixtrans-74.7-39.7179.1-75.9-31000110.6D508 K513 N514D508-D510 VanDerWaalsContact C-N 3.33Å; D508-D510 PolarHBondContact O-N 3.15Å; D508-D510 WeakPolarHBondContact OD2-CB 3.46Å; D508-D510 PolarHBondContact OD2-N 3.15Å; D510-K513 PolarHBondContact O-N 2.86Å; D510-N514 WeakPolarHBondContact O-CB 3.42Å; D510-N514 VanDerWaalsContact O-CG 3.28Å; D510-N514 PolarHBondContact O-N 3.19Å; D510-N514 PolarHBondContact O-ND2 2.98Å; D510-N514 VanDerWaalsContact O-ND2 3.12Å
511L87.1Confident86.6Confident22 Ų2275.1 Ų75.112%0.11539%0.385CS..Hα-helixtrans-61.7-44.2174.3-172.565.8000111.5V476 M507 D508 N514 F515V476-L511 HydrophobicContact CB-CD1 4.21Å; V476-L511 HydrophobicContact CG1-CD1 4.26Å; V476-L511 HydrophobicContact CG2-CD1 3.76Å; M507-L511 HydrophobicContact CG-CB 4.23Å; M507-L511 HydrophobicContact CG-CD2 3.79Å; M507-L511 HydrophobicContact CG-CG 4.11Å; M507-L511 HydrophobicContact SD-CB 4.42Å; M507-L511 HydrophobicContact SD-CD2 4.12Å; M507-L511 HydrophobicContact SD-CG 3.98Å; D508-L511 HydrophobicContact CB-CB 4.07Å; D508-L511 PolarHBondContact O-N 3.41Å; D508-L511 PolarHBondContact OD2-N 2.8Å; L511-N514 PolarHBondContact O-N 2.79Å; L511-F515 VanDerWaalsContact O-CB 3.24Å; L511-F515 WeakPolarHBondContact O-CB 3.49Å; L511-F515 PolarHBondContact O-N 3.18Å
512L88.3Confident86.1Confident41 Ų4179.6 Ų79.622%0.21540%0.4CS..Hα-helixtrans-63.1-45.4178.1-178.766.8000111.8F504 M507 D508 N514 F515 I516F504-L512 HydrophobicContact CE1-CD1 3.94Å; F504-L512 HydrophobicContact CE2-CD1 4.13Å; F504-L512 HydrophobicContact CZ-CD1 3.55Å; M507-L512 HydrophobicContact CE-CD1 4.01Å; M507-L512 HydrophobicContact CG-CB 4.44Å; M507-L512 HydrophobicContact SD-CB 4.08Å; M507-L512 HydrophobicContact SD-CD1 4.09Å; D508-L512 WeakPolarHBondContact O-CB 3.35Å; D508-L512 PolarHBondContact O-N 2.89Å; L512-N514 PolarHBondContact O-N 2.95Å; L512-F515 WeakPolarHBondContact O-CB 3.24Å; L512-F515 PolarHBondContact O-N 2.88Å; L512-I516 HydrophobicContact CD1-CD1 4.04Å; L512-I516 HydrophobicContact CD1-CG1 4.39Å; L512-I516 HydrophobicContact CG-CD1 3.98Å; L512-I516 WeakPolarHBondContact O-CG1 3.49Å; L512-I516 PolarHBondContact O-N 2.87Å
513K87.3Confident85.6Confident151 Ų15174.7 Ų74.766%0.65739%0.385SS*.Hα-helixtrans-62.3-44177.6-174.9179.1178.5-177.40111.4H509 D510 S517H509-K513 WeakPolarHBondContact O-CB 3.28Å; H509-K513 PolarHBondContact O-N 2.97Å; H509-K513 VanDerWaalsContact O-N 3.08Å; D510-K513 PolarHBondContact O-N 2.86Å; K513-S517 VanDerWaalsContact O-CB 3.31Å; K513-S517 WeakPolarHBondContact O-CB 3.19Å; K513-S517 PolarHBondContact O-N 3.32Å
514N87.3Confident85.1Confident108 Ų10875.2 Ų75.258%0.57839%0.389SS*.Hα-helixtrans-64.2-41.9175.5-75.4-32.2000111.5D510 L511 L512 S517 K518D510-N514 WeakPolarHBondContact O-CB 3.42Å; D510-N514 VanDerWaalsContact O-CG 3.28Å; D510-N514 PolarHBondContact O-N 3.19Å; D510-N514 PolarHBondContact O-ND2 2.98Å; D510-N514 VanDerWaalsContact O-ND2 3.12Å; L511-N514 PolarHBondContact O-N 2.79Å; L512-N514 PolarHBondContact O-N 2.95Å; N514-S517 PolarHBondContact O-N 2.95Å; N514-K518 VanDerWaalsContact O-CB 3.22Å; N514-K518 WeakPolarHBondContact O-CB 3.14Å; N514-K518 PolarHBondContact O-N 2.83Å
515F88.4Confident84.4Confident8 Ų879 Ų794%0.03541%0.406CS..Hα-helixtrans-59.6-52.4177-178.8-95.3000111.7L472 F488 C491 L495 F504 M507 L511 L512 S517 K518 A519L472-F515 HydrophobicContact CD2-CD2 3.64Å; L472-F515 HydrophobicContact CD2-CE2 3.9Å; F488-F515 AromaticContact CD2-CD2 3.72Å; F488-F515 HydrophobicContact CD2-CD2 3.72Å; F488-F515 AromaticContact CD2-CE2 3.75Å; F488-F515 HydrophobicContact CD2-CE2 3.75Å; F488-F515 AromaticContact CE2-CD2 3.78Å; F488-F515 HydrophobicContact CE2-CD2 3.78Å; F488-F515 AromaticContact CE2-CE2 3.85Å; F488-F515 HydrophobicContact CE2-CE2 3.85Å; C491-F515 HydrophobicContact CB-CE2 3.61Å; C491-F515 HydrophobicContact CB-CZ 3.71Å; L495-F515 HydrophobicContact CD1-CE1 3.83Å; L495-F515 HydrophobicContact CD1-CZ 3.99Å; F504-F515 HydrophobicContact CE2-CD1 4.04Å; F504-F515 AromaticContact CE2-CE1 3.84Å; F504-F515 HydrophobicContact CE2-CE1 3.84Å; M507-F515 HydrophobicContact SD-CB 4.47Å; L511-F515 VanDerWaalsContact O-CB 3.24Å; L511-F515 WeakPolarHBondContact O-CB 3.49Å; L511-F515 PolarHBondContact O-N 3.18Å; L512-F515 WeakPolarHBondContact O-CB 3.24Å; L512-F515 PolarHBondContact O-N 2.88Å; F515-S517 PolarHBondContact O-N 3.4Å; F515-K518 PolarHBondContact O-N 2.99Å; F515-A519 VanDerWaalsContact O-CB 3.24Å; F515-A519 WeakPolarHBondContact O-CB 3.19Å; F515-A519 PolarHBondContact O-N 3.11Å
516I86.9Confident83.5Confident79 Ų7984.2 Ų84.241%0.40542%0.415SS..Hα-helixtrans-63-42.5179.2-65.5168.7000110.9L512 K518 A519 S520 F525L512-I516 HydrophobicContact CD1-CD1 4.04Å; L512-I516 HydrophobicContact CD1-CG1 4.39Å; L512-I516 HydrophobicContact CG-CD1 3.98Å; L512-I516 WeakPolarHBondContact O-CG1 3.49Å; L512-I516 PolarHBondContact O-N 2.87Å; I516-K518 PolarHBondContact O-N 2.84Å; I516-A519 PolarHBondContact O-N 3.06Å; I516-S520 WeakPolarHBondContact O-CB 3.2Å; I516-S520 PolarHBondContact O-N 2.94Å; I516-S520 PolarHBondContact O-OG 2.89Å; I516-F525 HydrophobicContact CG2-CE2 4.17Å; I516-F525 HydrophobicContact CG2-CZ 4.33Å
517S86Confident81.8Confident51 Ų5190.2 Ų90.236%0.35745%0.448SS..Hα-helixtrans-61.2-44.7176.9-169.50000111.5K513 N514 F515 S520 R521K513-S517 VanDerWaalsContact O-CB 3.31Å; K513-S517 WeakPolarHBondContact O-CB 3.19Å; K513-S517 PolarHBondContact O-N 3.32Å; N514-S517 PolarHBondContact O-N 2.95Å; F515-S517 PolarHBondContact O-N 3.4Å; S517-S520 PolarHBondContact O-OG 2.98Å; S517-R521 PolarHBondContact O-N 3.23Å
518K86.8Confident81.6Confident64 Ų6493.8 Ų93.828%0.27847%0.465SS..Hα-helixtrans-68.4-41.4178.1-159.7177.2-178.7-179.30111.1E484 F488 N514 F515 I516 S520 R521 Y522E484-K518 IonicContact OE1-NZ 2.92Å; E484-K518 PolarHBondContact OE1-NZ 2.93Å; F488-K518 HydrophobicContact CD1-CD 4.14Å; F488-K518 HydrophobicContact CD1-CG 4.43Å; F488-K518 HydrophobicContact CD2-CD 3.88Å; F488-K518 HydrophobicContact CD2-CG 4.4Å; F488-K518 HydrophobicContact CE1-CB 4.46Å; F488-K518 HydrophobicContact CE1-CD 4.02Å; F488-K518 HydrophobicContact CE1-CG 3.8Å; F488-K518 HydrophobicContact CE2-CB 3.66Å; F488-K518 HydrophobicContact CE2-CD 3.75Å; F488-K518 HydrophobicContact CE2-CG 3.77Å; F488-K518 HydrophobicContact CG-CD 4.09Å; F488-K518 HydrophobicContact CZ-CB 3.6Å; F488-K518 HydrophobicContact CZ-CD 3.83Å; F488-K518 HydrophobicContact CZ-CG 3.43Å; F488-K518 VanDerWaalsContact CZ-CG 3.43Å; N514-K518 VanDerWaalsContact O-CB 3.22Å; N514-K518 WeakPolarHBondContact O-CB 3.14Å; N514-K518 PolarHBondContact O-N 2.83Å; F515-K518 PolarHBondContact O-N 2.99Å; I516-K518 PolarHBondContact O-N 2.84Å; K518-S520 PolarHBondContact O-N 3.06Å; K518-R521 PolarHBondContact O-N 3.07Å; K518-Y522 WeakPolarHBondContact O-CD2 3.38Å; K518-Y522 PolarHBondContact O-N 2.95Å; K518-Y522 VanDerWaalsContact O-N 3.13Å
519A86Confident81.2Confident0 Ų093.6 Ų93.60%046%0.462CS..Hα-helixtrans-64.1-39.1178.200000112.3F488 V492 F515 I516 R521 Y522 G523 A524 F525F488-A519 HydrophobicContact CZ-CB 4.37Å; V492-A519 HydrophobicContact CG2-CB 4.14Å; F515-A519 VanDerWaalsContact O-CB 3.24Å; F515-A519 WeakPolarHBondContact O-CB 3.19Å; F515-A519 PolarHBondContact O-N 3.11Å; I516-A519 PolarHBondContact O-N 3.06Å; A519-R521 PolarHBondContact O-N 2.81Å; A519-Y522 CarbonylContact O-C 3.57Å; A519-Y522 WeakPolarHBondContact O-CA 3.3Å; A519-Y522 PolarHBondContact O-N 3.38Å; A519-Y522 VanDerWaalsContact O-N 3.13Å; A519-G523 PolarHBondContact O-N 2.99Å; A519-A524 HydrophobicContact CB-CB 4.07Å; A519-A524 VanDerWaalsContact O-CB 3.29Å; A519-A524 WeakPolarHBondContact O-CB 3.23Å; A519-A524 PolarHBondContact O-N 3.18Å; A519-A524 VanDerWaalsContact O-N 3.11Å; A519-F525 HydrophobicContact CB-CE2 3.88Å; A519-F525 HydrophobicContact CB-CZ 4.23Å
520S81.7Confident81Confident62 Ų6290.2 Ų90.243%0.43445%0.448SS..Hα-helixtrans-63.8-38.3175.467.20000113.1I516 S517 K518 Y522 G523I516-S520 WeakPolarHBondContact O-CB 3.2Å; I516-S520 PolarHBondContact O-N 2.94Å; I516-S520 PolarHBondContact O-OG 2.89Å; S517-S520 PolarHBondContact O-OG 2.98Å; K518-S520 PolarHBondContact O-N 3.06Å; S520-Y522 VanDerWaalsContact C-N 3.28Å; S520-Y522 PolarHBondContact O-N 3.43Å; S520-G523 PolarHBondContact O-N 2.88Å; S520-G523 VanDerWaalsContact O-N 3.16Å
521R83.1Confident80.7Confident209 Ų20988.8 Ų88.879%0.78944%0.439SS*.Hα-helixtrans-65.7-32.1172.8-68176.1-175175.83.2112.5S517 K518 A519 G523S517-R521 PolarHBondContact O-N 3.23Å; K518-R521 PolarHBondContact O-N 3.07Å; A519-R521 PolarHBondContact O-N 2.81Å; R521-G523 PolarHBondContact O-N 3.42Å
522Y79.3Confident80.3Confident119 Ų11993 Ų9347%0.46746%0.459SS..THydrogen-bonded Turntrans-77.80.6175.3-93.5-100.3000113.9F488 K518 A519 S520 A524F488-Y522 HydrophobicContact CE1-CD1 4.47Å; F488-Y522 AromaticContact CE1-CD2 3.68Å; F488-Y522 HydrophobicContact CE1-CD2 3.68Å; F488-Y522 AromaticContact CE1-CE2 3.83Å; F488-Y522 HydrophobicContact CE1-CE2 3.83Å; F488-Y522 HydrophobicContact CE1-CG 4.02Å; F488-Y522 HydrophobicContact CZ-CD2 4.21Å; K518-Y522 WeakPolarHBondContact O-CD2 3.38Å; K518-Y522 PolarHBondContact O-N 2.95Å; K518-Y522 VanDerWaalsContact O-N 3.13Å; A519-Y522 CarbonylContact O-C 3.57Å; A519-Y522 WeakPolarHBondContact O-CA 3.3Å; A519-Y522 PolarHBondContact O-N 3.38Å; A519-Y522 VanDerWaalsContact O-N 3.13Å; S520-Y522 VanDerWaalsContact C-N 3.28Å; S520-Y522 PolarHBondContact O-N 3.43Å; Y522-A524 VanDerWaalsContact C-N 3.29Å; Y522-A524 PolarHBondContact O-N 2.93Å
523G76.8Confident79.8Confident28 Ų2896.5 Ų96.529%0.28948%0.475SS..THydrogen-bonded Turntrans77.611.7177.600000114.3A519 S520 R521 F525 K526A519-G523 PolarHBondContact O-N 2.99Å; S520-G523 PolarHBondContact O-N 2.88Å; S520-G523 VanDerWaalsContact O-N 3.16Å; R521-G523 PolarHBondContact O-N 3.42Å; G523-F525 PolarHBondContact O-N 3.38Å; G523-K526 PolarHBondContact O-N 3.41Å
524A75.8Confident79.2Confident33 Ų3392.6 Ų92.627%0.27346%0.462SS..THydrogen-bonded Turntrans-61.8-16.4-176.300000114.5V492 L495 A519 Y522V492-A524 HydrophobicContact CG1-CB 3.77Å; L495-A524 HydrophobicContact CD2-CB 4.16Å; A519-A524 HydrophobicContact CB-CB 4.07Å; A519-A524 VanDerWaalsContact O-CB 3.29Å; A519-A524 WeakPolarHBondContact O-CB 3.23Å; A519-A524 PolarHBondContact O-N 3.18Å; A519-A524 VanDerWaalsContact O-N 3.11Å; Y522-A524 VanDerWaalsContact C-N 3.29Å; Y522-A524 PolarHBondContact O-N 2.93Å
525F73.9Confident78.6Confident114 Ų11491.4 Ų91.450%0.545%0.454SS..THydrogen-bonded Turntrans-11310.2179.4-53.5-68000113.4L495 I516 A519 G523L495-F525 HydrophobicContact CD2-CD1 4.48Å; L495-F525 HydrophobicContact CD2-CE1 3.92Å; L495-F525 HydrophobicContact CD2-CZ 4.41Å; I516-F525 HydrophobicContact CG2-CE2 4.17Å; I516-F525 HydrophobicContact CG2-CZ 4.33Å; A519-F525 HydrophobicContact CB-CE2 3.88Å; A519-F525 HydrophobicContact CB-CZ 4.23Å; G523-F525 PolarHBondContact O-N 3.38Å
526K66.8Low77.8Confident180 Ų18098.3 Ų98.378%0.78349%0.488SS*.  trans-90.1120171.6-76.5-175.4175-179.50108.5G523G523-K526 PolarHBondContact O-N 3.41Å
527N50.9Low77Confident241 Ų241100.1 Ų100.1100%1.28950%0.496SS*.  trans-63.80166.8-75.5-16.7000111.2

Retrieved 527 of 527 residues in 739.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).