A0A087YJM3_POEFO Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A087YJM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 555 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low77.4Confident232 Ų23280.1 Ų80.1100%1.14346%0.464SS*.  01270-76.8-179.1-93.500109.7V3M1-V3 PolarHBondContact O-N 3.17Å
2T48.8Very low78.3Confident139 Ų13975.1 Ų75.185%0.85344%0.439SS*.  trans-79.690.4172.927.10000110.5C4T2-C4 PolarHBondContact O-N 3.42Å
3V63.8Low79.3Confident85 Ų8570.9 Ų70.952%0.51542%0.422SS..  trans-67128.6-179.2-167.90000110.6M1 C8 A29M1-V3 PolarHBondContact O-N 3.17Å; V3-C8 WeakPolarHBondContact CG1-SG 3.34Å; V3-A29 HydrophobicContact CB-CB 4.34Å; V3-A29 WeakPolarHBondContact O-CB 3.33Å
4C81.3Confident80.1Confident63 Ų6365.9 Ų65.943%0.42639%0.392SS..  trans-66.7131.4178.4-177.60000111.1T2 Y6 N7 C8T2-C4 PolarHBondContact O-N 3.42Å; C4-Y6 VanDerWaalsContact C-N 3.26Å; C4-Y6 PolarHBondContact O-N 3.38Å; C4-N7 HydrophobicContact CB-CB 4.46Å; C4-N7 PolarHBondContact O-N 2.95Å; C4-C8 PolarHBondContact O-N 3.38Å
5L87.1Confident80.8Confident2 Ų266.9 Ų66.91%0.0139%0.391CS..Hα-helixtrans-57.3-38.4-179.417663.9000112.8N7 C8 L9 Y18 V26 L32L5-N7 VanDerWaalsContact C-N 3.29Å; L5-N7 PolarHBondContact O-N 3.07Å; L5-C8 PolarHBondContact O-N 3.13Å; L5-L9 HydrophobicContact CD1-CD1 3.99Å; L5-L9 HydrophobicContact CD1-CG 4.2Å; L5-L9 HydrophobicContact CG-CD1 3.99Å; L5-L9 PolarHBondContact O-N 3.26Å; L5-Y18 HydrophobicContact CB-CE2 4.33Å; L5-Y18 HydrophobicContact CD2-CD2 4.42Å; L5-Y18 HydrophobicContact CD2-CE2 4.11Å; L5-Y18 HydrophobicContact CG-CD2 4.37Å; L5-Y18 HydrophobicContact CG-CE2 4.15Å; L5-V26 HydrophobicContact CD1-CG1 4.26Å; L5-V26 HydrophobicContact CD2-CB 4.35Å; L5-V26 HydrophobicContact CD2-CG1 3.93Å; L5-V26 WeakPolarHBondContact CD2-O 3.44Å; L5-L32 HydrophobicContact CD1-CD1 3.83Å; L5-L32 HydrophobicContact CD1-CD2 3.94Å; L5-L32 HydrophobicContact CD1-CG 3.9Å
6Y87.6Confident81.3Confident104 Ų10472.6 Ų72.641%0.40840%0.404SS..Hα-helixtrans-59.5-41.7177.1-175.5-99.7000111.6C4 L9 S10 Q15 Y18C4-Y6 VanDerWaalsContact C-N 3.26Å; C4-Y6 PolarHBondContact O-N 3.38Å; Y6-L9 PolarHBondContact O-N 3.3Å; Y6-S10 VanDerWaalsContact O-CB 3.29Å; Y6-S10 WeakPolarHBondContact O-CB 3.4Å; Y6-S10 PolarHBondContact O-N 3.21Å; Y6-Q15 HydrophobicContact CE2-CB 4.05Å; Y6-Y18 AromaticContact CD2-CD1 3.73Å; Y6-Y18 HydrophobicContact CD2-CD1 3.73Å; Y6-Y18 HydrophobicContact CD2-CD2 4.07Å; Y6-Y18 HydrophobicContact CD2-CE1 4.07Å; Y6-Y18 HydrophobicContact CD2-CE2 4.38Å; Y6-Y18 AromaticContact CD2-CG 3.71Å; Y6-Y18 HydrophobicContact CD2-CG 3.71Å; Y6-Y18 HydrophobicContact CE2-CD1 4.34Å; Y6-Y18 HydrophobicContact CE2-CG 4.45Å
7N86.4Confident81.9Confident95 Ų9569.9 Ų69.951%0.50839%0.387SS..Hα-helixtrans-69.3-39.9-179.5-62.19.9000111C4 L5 S10 A11C4-N7 HydrophobicContact CB-CB 4.46Å; C4-N7 PolarHBondContact O-N 2.95Å; L5-N7 VanDerWaalsContact C-N 3.29Å; L5-N7 PolarHBondContact O-N 3.07Å; N7-S10 PolarHBondContact O-N 3.08Å; N7-A11 WeakPolarHBondContact O-CB 3.42Å; N7-A11 PolarHBondContact O-N 3.36Å
8C87.1Confident82.3Confident16 Ų1670.3 Ų70.311%0.10838%0.383CS..Hα-helixtrans-59.6-46172.9-68.10000112.4V3 C4 L5 A12 L32 L57V3-C8 WeakPolarHBondContact CG1-SG 3.34Å; C4-C8 PolarHBondContact O-N 3.38Å; L5-C8 PolarHBondContact O-N 3.13Å; C8-A12 PolarHBondContact O-N 3.46Å; C8-L32 HydrophobicContact CB-CD1 4.41Å; C8-L57 HydrophobicContact CB-CD1 4.24Å; C8-L57 HydrophobicContact CB-CD2 4.36Å
9L90.1Very high82.5Confident0 Ų071.2 Ų71.20%039%0.394CS..Hα-helixtrans-71-36.6178.7-70.2169.5000111.9L5 Y6 A12 G13 L14 Q15 Y18 F21 L57L5-L9 HydrophobicContact CD1-CD1 3.99Å; L5-L9 HydrophobicContact CD1-CG 4.2Å; L5-L9 HydrophobicContact CG-CD1 3.99Å; L5-L9 PolarHBondContact O-N 3.26Å; Y6-L9 PolarHBondContact O-N 3.3Å; L9-A12 CarbonylContact O-C 3.54Å; L9-A12 PolarHBondContact O-N 2.69Å; L9-G13 PolarHBondContact O-N 3.32Å; L9-G13 VanDerWaalsContact O-N 3.1Å; L9-L14 HydrophobicContact CB-CB 4.27Å; L9-L14 HydrophobicContact CD2-CB 3.85Å; L9-L14 HydrophobicContact CD2-CD1 4.14Å; L9-L14 WeakPolarHBondContact O-CA 3.43Å; L9-L14 PolarHBondContact O-N 3.42Å; L9-Q15 PolarHBondContact O-N 2.98Å; L9-Y18 HydrophobicContact CD1-CD2 4.06Å; L9-F21 HydrophobicContact CD1-CB 4.38Å; L9-F21 HydrophobicContact CD1-CD1 3.99Å; L9-F21 HydrophobicContact CD1-CD2 4.37Å; L9-F21 HydrophobicContact CD1-CE1 4.37Å; L9-F21 HydrophobicContact CD1-CG 4Å; L9-F21 HydrophobicContact CD2-CD1 4.35Å; L9-F21 HydrophobicContact CD2-CE1 3.9Å; L9-F21 HydrophobicContact CD2-CE2 4.46Å; L9-F21 HydrophobicContact CD2-CZ 3.95Å; L9-L57 HydrophobicContact CD2-CD2 3.93Å
10S89.1Confident82.8Confident53 Ų5374 Ų7437%0.37140%0.399SS..Hα-helixtrans-64.9-41.8175.2-164.40000112.2Y6 N7 A12 G13Y6-S10 VanDerWaalsContact O-CB 3.29Å; Y6-S10 WeakPolarHBondContact O-CB 3.4Å; Y6-S10 PolarHBondContact O-N 3.21Å; N7-S10 PolarHBondContact O-N 3.08Å; S10-A12 PolarHBondContact O-N 2.9Å; S10-G13 PolarHBondContact O-N 2.95Å
11A86.6Confident83.2Confident92 Ų9270.4 Ų70.476%0.7638%0.38SS*.Hα-helixtrans-62.5-28.4174.100000113.2N7N7-A11 WeakPolarHBondContact O-CB 3.42Å; N7-A11 PolarHBondContact O-N 3.36Å
12A88.6Confident85.3Confident20 Ų2060.9 Ų60.917%0.16534%0.335CS..THydrogen-bonded Turntrans-88.1-2172.800000114.1C8 L9 S10 L14 R53 L57C8-A12 PolarHBondContact O-N 3.46Å; L9-A12 CarbonylContact O-C 3.54Å; L9-A12 PolarHBondContact O-N 2.69Å; S10-A12 PolarHBondContact O-N 2.9Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 HydrophobicContact CB-CD1 3.91Å; A12-L14 HydrophobicContact CB-CG 4.04Å; A12-L14 PolarHBondContact O-N 2.72Å; A12-R53 WeakPolarHBondContact O-CD 3.49Å; A12-R53 PolarHBondContact O-NH1 2.84Å; A12-L57 HydrophobicContact CB-CB 4.37Å; A12-L57 HydrophobicContact CB-CD2 4.02Å
13G90.8Very high87Confident21 Ų2160.5 Ų60.522%0.21633%0.326CS..THydrogen-bonded Turntrans67.527-174.200000114.5L9 S10 Q15L9-G13 PolarHBondContact O-N 3.32Å; L9-G13 VanDerWaalsContact O-N 3.1Å; S10-G13 PolarHBondContact O-N 2.95Å; G13-Q15 VanDerWaalsContact CA-OE1 3.31Å
14L91.8Very high88Confident0 Ų061.2 Ų61.20%033%0.326CS..  trans-1105.9-177-63.6175.4000113.5L9 A12 R16 H17 D50 R53 L54L9-L14 HydrophobicContact CB-CB 4.27Å; L9-L14 HydrophobicContact CD2-CB 3.85Å; L9-L14 HydrophobicContact CD2-CD1 4.14Å; L9-L14 WeakPolarHBondContact O-CA 3.43Å; L9-L14 PolarHBondContact O-N 3.42Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 HydrophobicContact CB-CD1 3.91Å; A12-L14 HydrophobicContact CB-CG 4.04Å; A12-L14 PolarHBondContact O-N 2.72Å; L14-R16 PolarHBondContact O-N 3.36Å; L14-H17 PolarHBondContact O-N 3.42Å; L14-D50 HydrophobicContact CD2-CB 3.6Å; L14-R53 HydrophobicContact CD1-CB 4.24Å; L14-R53 HydrophobicContact CD2-CB 4.24Å; L14-R53 HydrophobicContact CG-CB 4.3Å; L14-L54 HydrophobicContact CD1-CB 3.73Å; L14-L54 HydrophobicContact CD1-CD1 4.05Å; L14-L54 HydrophobicContact CD1-CG 4.45Å
15Q90.4Very high88.1Confident81 Ų8159.7 Ų59.738%0.37932%0.321SS..G310 helixtrans-54.3-27.2-176.769.5-75.71100113.8Y6 L9 G13 H17 Y18Y6-Q15 HydrophobicContact CE2-CB 4.05Å; L9-Q15 PolarHBondContact O-N 2.98Å; G13-Q15 VanDerWaalsContact CA-OE1 3.31Å; Q15-H17 PolarHBondContact O-N 2.9Å; Q15-H17 VanDerWaalsContact O-N 3.15Å; Q15-Y18 VanDerWaalsContact O-CB 3.26Å; Q15-Y18 WeakPolarHBondContact O-CB 3.35Å; Q15-Y18 PolarHBondContact O-N 3.39Å; Q15-Y18 VanDerWaalsContact O-N 3.1Å
16R89.1Confident88.2Confident158 Ų15860 Ų6060%0.59632%0.322SS*.G310 helixtrans-57-23.9173.160.3176.3166.3-145.3-1.6114.5L14 D50L14-R16 PolarHBondContact O-N 3.36Å; R16-D50 IonicContact CZ-OD1 2.73Å; R16-D50 IonicContact CZ-OD2 2.89Å; R16-D50 IonicContact NE-OD2 3.84Å; R16-D50 PolarHBondContact NE-OD2 3.42Å; R16-D50 VanDerWaalsContact NE-OD2 3.08Å; R16-D50 IonicContact NH2-OD1 3.39Å; R16-D50 PolarHBondContact NH2-OD1 3.39Å; R16-D50 IonicContact NH2-OD2 3.08Å; R16-D50 PolarHBondContact NH2-OD2 3.39Å
17H90.4Very high87.9Confident27 Ų2761.8 Ų61.813%0.12533%0.329CS..G310 helixtrans-95.7-5.1180-57.6-67.6000113.5L14 Q15 S19 R20 F21 G44 V45 D50L14-H17 PolarHBondContact O-N 3.42Å; Q15-H17 PolarHBondContact O-N 2.9Å; Q15-H17 VanDerWaalsContact O-N 3.15Å; H17-S19 VanDerWaalsContact C-N 3.31Å; H17-S19 PolarHBondContact O-N 3.04Å; H17-S19 VanDerWaalsContact O-N 3.16Å; H17-R20 WeakPolarHBondContact O-CA 3.38Å; H17-R20 WeakPolarHBondContact O-CB 3.16Å; H17-R20 PolarHBondContact O-N 2.87Å; H17-F21 HydrophobicContact CB-CD2 3.93Å; H17-F21 HydrophobicContact CB-CE2 3.76Å; H17-F21 WeakPolarHBondContact O-CD2 3.32Å; H17-F21 PolarHBondContact O-N 3.25Å; H17-F21 VanDerWaalsContact O-N 3.16Å; H17-G44 PolarHBondContact CE1-O 2.99Å; H17-V45 HydrophobicContact CB-CG2 4.29Å; H17-D50 IonicContact CD2-OD2 3.23Å; H17-D50 IonicContact CE1-OD2 2.73Å; H17-D50 IonicContact NE2-OD2 2.72Å; H17-D50 PolarHBondContact NE2-OD2 2.97Å
18Y90.3Very high87.9Confident77 Ų7765.3 Ų65.330%0.30234%0.335SS..Hα-helixtrans-52.9-42.2-170.2174.7-112.9000114.3L5 Y6 L9 Q15 R20 F21 T22L5-Y18 HydrophobicContact CB-CE2 4.33Å; L5-Y18 HydrophobicContact CD2-CD2 4.42Å; L5-Y18 HydrophobicContact CD2-CE2 4.11Å; L5-Y18 HydrophobicContact CG-CD2 4.37Å; L5-Y18 HydrophobicContact CG-CE2 4.15Å; Y6-Y18 AromaticContact CD2-CD1 3.73Å; Y6-Y18 HydrophobicContact CD2-CD1 3.73Å; Y6-Y18 HydrophobicContact CD2-CD2 4.07Å; Y6-Y18 HydrophobicContact CD2-CE1 4.07Å; Y6-Y18 HydrophobicContact CD2-CE2 4.38Å; Y6-Y18 AromaticContact CD2-CG 3.71Å; Y6-Y18 HydrophobicContact CD2-CG 3.71Å; Y6-Y18 HydrophobicContact CE2-CD1 4.34Å; Y6-Y18 HydrophobicContact CE2-CG 4.45Å; L9-Y18 HydrophobicContact CD1-CD2 4.06Å; Q15-Y18 VanDerWaalsContact O-CB 3.26Å; Q15-Y18 WeakPolarHBondContact O-CB 3.35Å; Q15-Y18 PolarHBondContact O-N 3.39Å; Q15-Y18 VanDerWaalsContact O-N 3.1Å; Y18-R20 PolarHBondContact O-N 3.41Å; Y18-F21 WeakPolarHBondContact O-CB 3.4Å; Y18-F21 PolarHBondContact O-N 3.47Å; Y18-T22 HydrophobicContact CD2-CG2 4.29Å; Y18-T22 HydrophobicContact CE1-CG2 4.31Å; Y18-T22 HydrophobicContact CE2-CG2 3.8Å; Y18-T22 PolarHBondContact O-N 3Å; Y18-T22 PolarHBondContact O-OG1 3.35Å
19S85.9Confident87.6Confident87 Ų8765.1 Ų65.161%0.60834%0.335SS*.Hα-helixtrans-61.6-25.9177.452.50000113.7H17 T22 L23H17-S19 VanDerWaalsContact C-N 3.31Å; H17-S19 PolarHBondContact O-N 3.04Å; H17-S19 VanDerWaalsContact O-N 3.16Å; S19-T22 PolarHBondContact O-OG1 3.28Å; S19-L23 WeakPolarHBondContact O-CB 3.26Å; S19-L23 PolarHBondContact O-N 3.45Å
20R87.9Confident87.2Confident127 Ų12767.5 Ų67.548%0.47936%0.355SS..Hα-helixtrans-89.9-28179-161.7162.8175.4135.10.8112.3H17 Y18 M24 L42 L43H17-R20 WeakPolarHBondContact O-CA 3.38Å; H17-R20 WeakPolarHBondContact O-CB 3.16Å; H17-R20 PolarHBondContact O-N 2.87Å; Y18-R20 PolarHBondContact O-N 3.41Å; R20-M24 VanDerWaalsContact O-CG 3.28Å; R20-M24 WeakPolarHBondContact O-CG 3.41Å; R20-M24 PolarHBondContact O-N 2.87Å; R20-L42 PolarHBondContact NE-O 3.46Å; R20-L42 PolarHBondContact NH2-O 3.22Å; R20-L43 WeakPolarHBondContact CD-O 3.26Å
21F90.9Very high87.1Confident0 Ų068.3 Ų68.30%035%0.353CS..Hα-helixtrans-64.3-47.7167.9-83.6-115.7000111.3L9 H17 Y18 L23 M24 G25 V26 L32 L35 L43 V45 L54L9-F21 HydrophobicContact CD1-CB 4.38Å; L9-F21 HydrophobicContact CD1-CD1 3.99Å; L9-F21 HydrophobicContact CD1-CD2 4.37Å; L9-F21 HydrophobicContact CD1-CE1 4.37Å; L9-F21 HydrophobicContact CD1-CG 4Å; L9-F21 HydrophobicContact CD2-CD1 4.35Å; L9-F21 HydrophobicContact CD2-CE1 3.9Å; L9-F21 HydrophobicContact CD2-CE2 4.46Å; L9-F21 HydrophobicContact CD2-CZ 3.95Å; H17-F21 HydrophobicContact CB-CD2 3.93Å; H17-F21 HydrophobicContact CB-CE2 3.76Å; H17-F21 WeakPolarHBondContact O-CD2 3.32Å; H17-F21 PolarHBondContact O-N 3.25Å; H17-F21 VanDerWaalsContact O-N 3.16Å; Y18-F21 WeakPolarHBondContact O-CB 3.4Å; Y18-F21 PolarHBondContact O-N 3.47Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 3Å; F21-M24 CarbonylContact O-C 3.54Å; F21-M24 PolarHBondContact O-N 3.13Å; F21-M24 VanDerWaalsContact O-N 3.13Å; F21-G25 PolarHBondContact O-N 2.94Å; F21-V26 CarbonylContact C-O 3.57Å; F21-V26 HydrophobicContact CB-CB 4.17Å; F21-V26 HydrophobicContact CD1-CB 4.21Å; F21-V26 HydrophobicContact CD1-CG1 4.04Å; F21-V26 HydrophobicContact CD1-CG2 4.47Å; F21-V26 WeakPolarHBondContact O-CB 3.38Å; F21-V26 PolarHBondContact O-N 2.97Å; F21-L32 HydrophobicContact CD1-CD2 3.98Å; F21-L32 HydrophobicContact CE1-CD2 3.65Å; F21-L35 HydrophobicContact CE1-CD1 4.09Å; F21-L43 HydrophobicContact CB-CD2 4.41Å; F21-L43 HydrophobicContact CD1-CD2 4.15Å; F21-L43 HydrophobicContact CD2-CB 4.14Å; F21-L43 HydrophobicContact CD2-CD2 3.95Å; F21-L43 HydrophobicContact CE1-CD1 4.02Å; F21-L43 HydrophobicContact CE1-CD2 4.42Å; F21-L43 HydrophobicContact CE2-CB 3.78Å; F21-L43 HydrophobicContact CE2-CD1 4.3Å; F21-L43 HydrophobicContact CE2-CD2 4.26Å; F21-L43 HydrophobicContact CE2-CG 4.34Å; F21-L43 HydrophobicContact CG-CD2 3.91Å; F21-L43 HydrophobicContact CZ-CB 4.21Å; F21-L43 HydrophobicContact CZ-CD1 3.91Å; F21-L43 HydrophobicContact CZ-CD2 4.48Å; F21-L43 HydrophobicContact CZ-CG 4.44Å; F21-V45 HydrophobicContact CE2-CG2 4.03Å; F21-V45 HydrophobicContact CZ-CG2 4.38Å; F21-L54 HydrophobicContact CE1-CD1 3.98Å; F21-L54 HydrophobicContact CZ-CD1 3.78Å; F21-L54 HydrophobicContact CZ-CD2 3.84Å; F21-L54 HydrophobicContact CZ-CG 4.49Å
22T86.4Confident87.1Confident32 Ų3264 Ų6420%0.19632%0.316CS..Hα-helixtrans-69.4-30.317855.80000112.9Y18 S19 M24 G25 V26 Y27Y18-T22 HydrophobicContact CD2-CG2 4.29Å; Y18-T22 HydrophobicContact CE1-CG2 4.31Å; Y18-T22 HydrophobicContact CE2-CG2 3.8Å; Y18-T22 PolarHBondContact O-N 3Å; Y18-T22 PolarHBondContact O-OG1 3.35Å; S19-T22 PolarHBondContact O-OG1 3.28Å; T22-M24 VanDerWaalsContact C-N 3.25Å; T22-M24 PolarHBondContact O-N 2.97Å; T22-G25 PolarHBondContact O-N 3.5Å; T22-V26 WeakPolarHBondContact CA-O 3.47Å; T22-Y27 HydrophobicContact CG2-CD1 4.12Å; T22-Y27 HydrophobicContact CG2-CE1 4.47Å; T22-Y27 WeakPolarHBondContact O-CE1 3.3Å; T22-Y27 VanDerWaalsContact O-CZ 3.28Å; T22-Y27 PolarHBondContact O-OH 2.96Å
23L85.8Confident87Confident130 Ų13064.4 Ų64.468%0.68132%0.318SS*.Hα-helixtrans-63.6-31170.8-163.675.4000112.5S19 F21S19-L23 WeakPolarHBondContact O-CB 3.26Å; S19-L23 PolarHBondContact O-N 3.45Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 3Å
24M84.8Confident86.7Confident101 Ų10168.9 Ų68.950%0.49834%0.342SS..THydrogen-bonded Turntrans-95.922.2-180-61.4-72.991.600113.4R20 F21 T22 V26 L43R20-M24 VanDerWaalsContact O-CG 3.28Å; R20-M24 WeakPolarHBondContact O-CG 3.41Å; R20-M24 PolarHBondContact O-N 2.87Å; F21-M24 CarbonylContact O-C 3.54Å; F21-M24 PolarHBondContact O-N 3.13Å; F21-M24 VanDerWaalsContact O-N 3.13Å; T22-M24 VanDerWaalsContact C-N 3.25Å; T22-M24 PolarHBondContact O-N 2.97Å; M24-V26 VanDerWaalsContact C-N 3.3Å; M24-V26 PolarHBondContact O-N 3.13Å; M24-L43 HydrophobicContact CB-CD2 3.95Å; M24-L43 HydrophobicContact CG-CD2 4.13Å
25G83.6Confident86.5Confident31 Ų3169.9 Ų69.932%0.3235%0.347SS..THydrogen-bonded Turntrans79.13.717500000115.8F21 T22 Y27 H31F21-G25 PolarHBondContact O-N 2.94Å; T22-G25 PolarHBondContact O-N 3.5Å; G25-Y27 VanDerWaalsContact O-CD2 3.32Å; G25-Y27 WeakPolarHBondContact O-CD2 3.39Å; G25-Y27 PolarHBondContact O-N 2.82Å; G25-H31 PolarHBondContact O-ND1 3.24Å
26V88.1Confident86.4Confident7 Ų768.2 Ų68.24%0.04234%0.344CS..  trans-87.298.7177.3-165.20000108L5 F21 T22 M24 H31 L32 L35 L43L5-V26 HydrophobicContact CD1-CG1 4.26Å; L5-V26 HydrophobicContact CD2-CB 4.35Å; L5-V26 HydrophobicContact CD2-CG1 3.93Å; L5-V26 WeakPolarHBondContact CD2-O 3.44Å; F21-V26 CarbonylContact C-O 3.57Å; F21-V26 HydrophobicContact CB-CB 4.17Å; F21-V26 HydrophobicContact CD1-CB 4.21Å; F21-V26 HydrophobicContact CD1-CG1 4.04Å; F21-V26 HydrophobicContact CD1-CG2 4.47Å; F21-V26 WeakPolarHBondContact O-CB 3.38Å; F21-V26 PolarHBondContact O-N 2.97Å; T22-V26 WeakPolarHBondContact CA-O 3.47Å; M24-V26 VanDerWaalsContact C-N 3.3Å; M24-V26 PolarHBondContact O-N 3.13Å; V26-H31 HydrophobicContact CB-CB 4.4Å; V26-H31 HydrophobicContact CG1-CB 3.68Å; V26-L32 HydrophobicContact CG1-CD2 4.01Å; V26-L35 HydrophobicContact CG2-CD2 4.35Å; V26-L43 HydrophobicContact CG2-CD2 4.38Å
27Y82.3Confident86.3Confident142 Ų14264.6 Ų64.656%0.55734%0.335SS*.  trans-112.1-16.2-176.8-57.3-62.8000114.4T22 G25T22-Y27 HydrophobicContact CG2-CD1 4.12Å; T22-Y27 HydrophobicContact CG2-CE1 4.47Å; T22-Y27 WeakPolarHBondContact O-CE1 3.3Å; T22-Y27 VanDerWaalsContact O-CZ 3.28Å; T22-Y27 PolarHBondContact O-OH 2.96Å; G25-Y27 VanDerWaalsContact O-CD2 3.32Å; G25-Y27 WeakPolarHBondContact O-CD2 3.39Å; G25-Y27 PolarHBondContact O-N 2.82Å
28R86.1Confident86.1Confident169 Ų16971.3 Ų71.364%0.63837%0.366SS*.SBendtrans-133.8152.5-175.3-64.3179.9175.2-175.8-1.1109.8A30 H31R28-A30 PolarHBondContact O-N 3.05Å; R28-H31 WeakPolarHBondContact O-CB 3.36Å; R28-H31 PolarHBondContact O-N 3.42Å
29A81.6Confident86.1Confident12 Ų1270 Ų7010%0.09937%0.365CS..G310 helixtrans-54.4-37.8178.200000112.9V3 H31 L32V3-A29 HydrophobicContact CB-CB 4.34Å; V3-A29 WeakPolarHBondContact O-CB 3.33Å; A29-H31 VanDerWaalsContact C-N 3.25Å; A29-H31 PolarHBondContact O-N 2.89Å; A29-L32 WeakPolarHBondContact O-CB 3.21Å; A29-L32 VanDerWaalsContact O-CG 3.32Å; A29-L32 WeakPolarHBondContact O-CG 3.4Å; A29-L32 PolarHBondContact O-N 3.11Å
30A80.4Confident86.4Confident50 Ų5066 Ų6641%0.41334%0.336SS..G310 helixtrans-58.8-30.2175.500000113.8R28 L32 S33R28-A30 PolarHBondContact O-N 3.05Å; A30-L32 PolarHBondContact O-N 3.02Å; A30-L32 VanDerWaalsContact O-N 3.09Å; A30-S33 PolarHBondContact O-N 3.33Å; A30-S33 PolarHBondContact O-OG 3.42Å
31H86.6Confident86.5Confident71 Ų7162.5 Ų62.533%0.32933%0.33SS..G310 helixtrans-68.9-8.6177.4-63.6-159.1000112G25 V26 R28 A29 T34G25-H31 PolarHBondContact O-ND1 3.24Å; V26-H31 HydrophobicContact CB-CB 4.4Å; V26-H31 HydrophobicContact CG1-CB 3.68Å; R28-H31 WeakPolarHBondContact O-CB 3.36Å; R28-H31 PolarHBondContact O-N 3.42Å; A29-H31 VanDerWaalsContact C-N 3.25Å; A29-H31 PolarHBondContact O-N 2.89Å; H31-T34 PolarHBondContact O-OG1 3.46Å
32L87.1Confident86.3Confident0 Ų067.4 Ų67.40%036%0.356CS..G310 helixtrans-74.6-29.9170.4-59.8173.7000112.1L5 C8 F21 V26 A29 A30 T34 L35 L57 V58 V61L5-L32 HydrophobicContact CD1-CD1 3.83Å; L5-L32 HydrophobicContact CD1-CD2 3.94Å; L5-L32 HydrophobicContact CD1-CG 3.9Å; C8-L32 HydrophobicContact CB-CD1 4.41Å; F21-L32 HydrophobicContact CD1-CD2 3.98Å; F21-L32 HydrophobicContact CE1-CD2 3.65Å; V26-L32 HydrophobicContact CG1-CD2 4.01Å; A29-L32 WeakPolarHBondContact O-CB 3.21Å; A29-L32 VanDerWaalsContact O-CG 3.32Å; A29-L32 WeakPolarHBondContact O-CG 3.4Å; A29-L32 PolarHBondContact O-N 3.11Å; A30-L32 PolarHBondContact O-N 3.02Å; A30-L32 VanDerWaalsContact O-N 3.09Å; L32-T34 PolarHBondContact O-N 2.95Å; L32-L35 HydrophobicContact CD2-CD1 3.75Å; L32-L35 PolarHBondContact O-N 2.96Å; L32-L35 VanDerWaalsContact O-N 3.15Å; L32-L57 HydrophobicContact CD1-CD2 3.79Å; L32-L57 HydrophobicContact CD1-CG 4.04Å; L32-V58 HydrophobicContact CB-CG2 4.34Å; L32-V58 WeakPolarHBondContact O-CG1 3.37Å; L32-V58 WeakPolarHBondContact O-CG2 3.38Å; L32-V61 HydrophobicContact CB-CG2 4.4Å; L32-V61 HydrophobicContact CD1-CG2 4.24Å
33S86.4Confident86.4Confident29 Ų2966 Ų6620%0.20335%0.347CS..THydrogen-bonded Turntrans-70.1-20-179.765.90000112.7A30 K62 D65A30-S33 PolarHBondContact O-N 3.33Å; A30-S33 PolarHBondContact O-OG 3.42Å; S33-K62 WeakPolarHBondContact O-CE 3.39Å; S33-K62 PolarHBondContact O-NZ 2.74Å; S33-D65 VanDerWaalsContact CB-OD2 3.24Å; S33-D65 WeakPolarHBondContact CB-OD2 3.37Å; S33-D65 PolarHBondContact OG-OD2 3.21Å
34T85.1Confident86.4Confident116 Ų11660.9 Ų60.971%0.71233%0.325SS*.THydrogen-bonded Turntrans-80.8-11.1172.243.80000115.1H31 L32H31-T34 PolarHBondContact O-OG1 3.46Å; L32-T34 PolarHBondContact O-N 2.95Å
35L87.4Confident86.7Confident20 Ų2056 Ų5611%0.10530%0.302CS..  trans-75.8144.2-176.3-64177.7000113.5F21 V26 L32 D39 Y40 L43 V58F21-L35 HydrophobicContact CE1-CD1 4.09Å; V26-L35 HydrophobicContact CG2-CD2 4.35Å; L32-L35 HydrophobicContact CD2-CD1 3.75Å; L32-L35 PolarHBondContact O-N 2.96Å; L32-L35 VanDerWaalsContact O-N 3.15Å; L35-D39 HydrophobicContact CD2-CB 4.16Å; L35-Y40 HydrophobicContact CB-CE1 4.43Å; L35-L43 HydrophobicContact CD1-CD1 3.77Å; L35-L43 HydrophobicContact CD2-CD1 4.08Å; L35-V58 HydrophobicContact CB-CG2 4.38Å
36S88Confident86.8Confident47 Ų4758.6 Ų58.633%0.32931%0.314SS..  trans-109.3169.2172.880.80000111.7E38 D39 Y40S36-E38 PolarHBondContact O-N 2.97Å; S36-E38 PolarHBondContact OG-N 3.13Å; S36-D39 WeakPolarHBondContact CA-OD2 3.28Å; S36-D39 VanDerWaalsContact CB-OD2 3.29Å; S36-D39 WeakPolarHBondContact CB-OD2 3.43Å; S36-D39 PolarHBondContact N-OD2 2.68Å; S36-D39 PolarHBondContact O-N 2.79Å; S36-D39 PolarHBondContact OG-OD2 2.96Å; S36-Y40 WeakPolarHBondContact O-CD1 3.43Å; S36-Y40 WeakPolarHBondContact O-CE1 3.46Å
37M86.3Confident87Confident82 Ų8260.9 Ų60.940%0.40433%0.33SS..THydrogen-bonded Turntrans-67.4-16.4175.5-65.9-60.9-65.800113.7Y40 R51 F55M37-Y40 HydrophobicContact CE-CD2 4.02Å; M37-Y40 HydrophobicContact CE-CE2 3.79Å; M37-Y40 HydrophobicContact SD-CD2 4.02Å; M37-Y40 HydrophobicContact SD-CE2 3.34Å; M37-Y40 WeakPolarHBondContact SD-CE2 3.45Å; M37-R51 PolarHBondContact O-NH2 3.4Å; M37-F55 HydrophobicContact SD-CB 4.29Å; M37-F55 HydrophobicContact SD-CD2 3.6Å; M37-F55 HydrophobicContact SD-CE2 4.37Å; M37-F55 HydrophobicContact SD-CG 4.32Å
38E87.8Confident87.2Confident167 Ų16761.6 Ų61.678%0.7834%0.34SS*.THydrogen-bonded Turntrans-81.2-25.9-179.8-61178.2-166.700111.7S36 Y40 P41S36-E38 PolarHBondContact O-N 2.97Å; S36-E38 PolarHBondContact OG-N 3.13Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-P41 WeakPolarHBondContact O-CD 3.45Å
39D89.7Confident87.4Confident51 Ų5159 Ų5927%0.27334%0.335SS..THydrogen-bonded Turntrans-75.5-21.4177.8-55.3-67.5000112.9L35 S36 L42 L43L35-D39 HydrophobicContact CD2-CB 4.16Å; S36-D39 WeakPolarHBondContact CA-OD2 3.28Å; S36-D39 VanDerWaalsContact CB-OD2 3.29Å; S36-D39 WeakPolarHBondContact CB-OD2 3.43Å; S36-D39 PolarHBondContact N-OD2 2.68Å; S36-D39 PolarHBondContact O-N 2.79Å; S36-D39 PolarHBondContact OG-OD2 2.96Å; D39-L42 WeakPolarHBondContact O-CB 3.21Å; D39-L42 PolarHBondContact O-N 3.48Å; D39-L43 HydrophobicContact CB-CD1 4.29Å; D39-L43 WeakPolarHBondContact O-CG 3.4Å; D39-L43 PolarHBondContact O-N 3.24Å; D39-L43 VanDerWaalsContact O-N 3.08Å
40Y92.5Very high87.9Confident2 Ų258.6 Ų58.61%0.00833%0.331CS..THydrogen-bonded Turntrans-59.8-41.8-169.7-68.712.1000113.3L35 S36 M37 E38 L42 L43 G44 V45 R51 L54 F55L35-Y40 HydrophobicContact CB-CE1 4.43Å; S36-Y40 WeakPolarHBondContact O-CD1 3.43Å; S36-Y40 WeakPolarHBondContact O-CE1 3.46Å; M37-Y40 HydrophobicContact CE-CD2 4.02Å; M37-Y40 HydrophobicContact CE-CE2 3.79Å; M37-Y40 HydrophobicContact SD-CD2 4.02Å; M37-Y40 HydrophobicContact SD-CE2 3.34Å; M37-Y40 WeakPolarHBondContact SD-CE2 3.45Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; Y40-L42 VanDerWaalsContact C-N 3.35Å; Y40-L42 PolarHBondContact O-N 3.09Å; Y40-L43 PolarHBondContact O-N 2.86Å; Y40-G44 PolarHBondContact O-N 3.49Å; Y40-V45 HydrophobicContact CD2-CG1 4.44Å; Y40-V45 WeakPolarHBondContact O-CA 3.45Å; Y40-V45 WeakPolarHBondContact O-CB 3.17Å; Y40-V45 PolarHBondContact O-N 3.11Å; Y40-R51 HydrophobicContact CD2-CB 4.06Å; Y40-R51 HydrophobicContact CD2-CG 3.99Å; Y40-L54 HydrophobicContact CD1-CD2 3.48Å; Y40-L54 VanDerWaalsContact CD1-CD2 3.48Å; Y40-L54 HydrophobicContact CD1-CG 4.29Å; Y40-L54 HydrophobicContact CD2-CB 4.44Å; Y40-L54 HydrophobicContact CD2-CD2 3.85Å; Y40-L54 HydrophobicContact CD2-CG 4.36Å; Y40-L54 HydrophobicContact CE1-CD2 3.54Å; Y40-L54 HydrophobicContact CE1-CG 3.84Å; Y40-L54 HydrophobicContact CE2-CB 3.98Å; Y40-L54 HydrophobicContact CE2-CD2 3.88Å; Y40-L54 HydrophobicContact CE2-CG 3.9Å; Y40-L54 HydrophobicContact CG-CD2 3.66Å; Y40-F55 HydrophobicContact CE2-CB 4.36Å; Y40-F55 WeakPolarHBondContact OH-CA 3.4Å; Y40-F55 PolarHBondContact OH-N 2.98Å
41P89.4Confident88.5Confident54 Ų5459.4 Ų59.435%0.35132%0.324SS..THydrogen-bonded Turntrans-64.4-34.3173.1-21.435000113.7E38 L43 G44E38-P41 WeakPolarHBondContact O-CD 3.45Å; P41-L43 VanDerWaalsContact C-N 3.29Å; P41-L43 PolarHBondContact O-N 3.14Å; P41-G44 PolarHBondContact O-N 3.25Å; P41-G44 VanDerWaalsContact O-N 3.08Å
42L86.9Confident88.6Confident102 Ų10258.4 Ų58.453%0.53433%0.328SS..THydrogen-bonded Turntrans-63.9-39.8176.4-57.1178000110.5R20 D39 Y40 G44R20-L42 PolarHBondContact NE-O 3.46Å; R20-L42 PolarHBondContact NH2-O 3.22Å; D39-L42 WeakPolarHBondContact O-CB 3.21Å; D39-L42 PolarHBondContact O-N 3.48Å; Y40-L42 VanDerWaalsContact C-N 3.35Å; Y40-L42 PolarHBondContact O-N 3.09Å; L42-G44 PolarHBondContact O-N 3.25Å
43L88.9Confident88.9Confident4 Ų462.4 Ų62.42%0.02134%0.343CS..THydrogen-bonded Turntrans-72.6-3174.4-62.7166.7000114.1R20 F21 M24 V26 L35 D39 Y40 P41 V45 L54R20-L43 WeakPolarHBondContact CD-O 3.26Å; F21-L43 HydrophobicContact CB-CD2 4.41Å; F21-L43 HydrophobicContact CD1-CD2 4.15Å; F21-L43 HydrophobicContact CD2-CB 4.14Å; F21-L43 HydrophobicContact CD2-CD2 3.95Å; F21-L43 HydrophobicContact CE1-CD1 4.02Å; F21-L43 HydrophobicContact CE1-CD2 4.42Å; F21-L43 HydrophobicContact CE2-CB 3.78Å; F21-L43 HydrophobicContact CE2-CD1 4.3Å; F21-L43 HydrophobicContact CE2-CD2 4.26Å; F21-L43 HydrophobicContact CE2-CG 4.34Å; F21-L43 HydrophobicContact CG-CD2 3.91Å; F21-L43 HydrophobicContact CZ-CB 4.21Å; F21-L43 HydrophobicContact CZ-CD1 3.91Å; F21-L43 HydrophobicContact CZ-CD2 4.48Å; F21-L43 HydrophobicContact CZ-CG 4.44Å; M24-L43 HydrophobicContact CB-CD2 3.95Å; M24-L43 HydrophobicContact CG-CD2 4.13Å; V26-L43 HydrophobicContact CG2-CD2 4.38Å; L35-L43 HydrophobicContact CD1-CD1 3.77Å; L35-L43 HydrophobicContact CD2-CD1 4.08Å; D39-L43 HydrophobicContact CB-CD1 4.29Å; D39-L43 WeakPolarHBondContact O-CG 3.4Å; D39-L43 PolarHBondContact O-N 3.24Å; D39-L43 VanDerWaalsContact O-N 3.08Å; Y40-L43 PolarHBondContact O-N 2.86Å; P41-L43 VanDerWaalsContact C-N 3.29Å; P41-L43 PolarHBondContact O-N 3.14Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-L54 HydrophobicContact CD1-CD2 4.49Å
44G85.9Confident89.3Confident21 Ų2161 Ų6122%0.21633%0.333CS..THydrogen-bonded Turntrans84.41.8-17800000114.9H17 Y40 P41 L42 C46H17-G44 PolarHBondContact CE1-O 2.99Å; Y40-G44 PolarHBondContact O-N 3.49Å; P41-G44 PolarHBondContact O-N 3.25Å; P41-G44 VanDerWaalsContact O-N 3.08Å; L42-G44 PolarHBondContact O-N 3.25Å; G44-C46 PolarHBondContact O-N 3.15Å
45V90.4Very high89.7Confident0 Ų059.8 Ų59.80%032%0.318CS..  trans-87.175.9-175.1174.70000109.5H17 F21 Y40 L43 D50 R51 L54H17-V45 HydrophobicContact CB-CG2 4.29Å; F21-V45 HydrophobicContact CE2-CG2 4.03Å; F21-V45 HydrophobicContact CZ-CG2 4.38Å; Y40-V45 HydrophobicContact CD2-CG1 4.44Å; Y40-V45 WeakPolarHBondContact O-CA 3.45Å; Y40-V45 WeakPolarHBondContact O-CB 3.17Å; Y40-V45 PolarHBondContact O-N 3.11Å; L43-V45 VanDerWaalsContact C-N 3.33Å; V45-D50 VanDerWaalsContact CG1-C 3.49Å; V45-D50 HydrophobicContact CG1-CB 3.76Å; V45-R51 HydrophobicContact CG1-CB 4.45Å; V45-R51 HydrophobicContact CG1-CG 3.84Å; V45-R51 WeakPolarHBondContact O-CG 3.36Å; V45-L54 HydrophobicContact CB-CD2 4.16Å; V45-L54 HydrophobicContact CG1-CB 4.27Å; V45-L54 HydrophobicContact CG1-CD2 3.9Å; V45-L54 HydrophobicContact CG2-CD2 4.12Å
46C86.3Confident89.9Confident85 Ų8565.4 Ų65.457%0.57434%0.344SS*.  trans-95.9-28.2-174.1-63.90000114.6G44G44-C46 PolarHBondContact O-N 3.15Å
47S92.6Very high90Very high54 Ų5464 Ų6438%0.37833%0.332SS..SBendtrans-72.9143.4-179.369.10000111.4E49 D50 R51S47-E49 PolarHBondContact O-N 3.06Å; S47-D50 PolarHBondContact O-N 3.19Å; S47-D50 VanDerWaalsContact OG-CB 3.28Å; S47-D50 WeakPolarHBondContact OG-CB 3.49Å; S47-D50 VanDerWaalsContact OG-CG 3.28Å; S47-D50 PolarHBondContact OG-N 3.23Å; S47-D50 PolarHBondContact OG-OD1 2.9Å; S47-R51 WeakPolarHBondContact O-CB 3.24Å; S47-R51 VanDerWaalsContact O-CG 3.27Å; S47-R51 WeakPolarHBondContact O-CG 3.47Å; S47-R51 PolarHBondContact O-N 3.48Å
48M86.1Confident90.2Very high157 Ų15760.1 Ų60.177%0.77331%0.314SS*.Hα-helixtrans-58.2-33.2179.5-71.1-63.6-71.100112.5A52M48-A52 WeakPolarHBondContact O-CB 3.44Å; M48-A52 PolarHBondContact O-N 2.9Å
49E89.9Confident90.3Very high115 Ų11556.3 Ų56.354%0.53730%0.296SS..Hα-helixtrans-68.9-48.9176.9-166-175.117900112.4S47 R51 A52 R53S47-E49 PolarHBondContact O-N 3.06Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 3.28Å; E49-A52 PolarHBondContact O-N 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.29Å; E49-R53 PolarHBondContact O-N 3.33Å; E49-R53 IonicContact OE1-CZ 3.42Å; E49-R53 IonicContact OE1-NE 2.97Å; E49-R53 PolarHBondContact OE1-NE 2.93Å; E49-R53 IonicContact OE1-NH2 2.68Å; E49-R53 PolarHBondContact OE1-NH2 3.33Å
50D91.8Very high90.1Very high4 Ų458.4 Ų58.42%0.02131%0.306CS..Hα-helixtrans-66.7-34178.1-71.414.4000110.9L14 R16 H17 V45 S47 R53 L54L14-D50 HydrophobicContact CD2-CB 3.6Å; R16-D50 IonicContact CZ-OD1 2.73Å; R16-D50 IonicContact CZ-OD2 2.89Å; R16-D50 IonicContact NE-OD2 3.84Å; R16-D50 PolarHBondContact NE-OD2 3.42Å; R16-D50 VanDerWaalsContact NE-OD2 3.08Å; R16-D50 IonicContact NH2-OD1 3.39Å; R16-D50 PolarHBondContact NH2-OD1 3.39Å; R16-D50 IonicContact NH2-OD2 3.08Å; R16-D50 PolarHBondContact NH2-OD2 3.39Å; H17-D50 IonicContact CD2-OD2 3.23Å; H17-D50 IonicContact CE1-OD2 2.73Å; H17-D50 IonicContact NE2-OD2 2.72Å; H17-D50 PolarHBondContact NE2-OD2 2.97Å; V45-D50 VanDerWaalsContact CG1-C 3.49Å; V45-D50 HydrophobicContact CG1-CB 3.76Å; S47-D50 PolarHBondContact O-N 3.19Å; S47-D50 VanDerWaalsContact OG-CB 3.28Å; S47-D50 WeakPolarHBondContact OG-CB 3.49Å; S47-D50 VanDerWaalsContact OG-CG 3.28Å; S47-D50 PolarHBondContact OG-N 3.23Å; S47-D50 PolarHBondContact OG-OD1 2.9Å; D50-R53 PolarHBondContact O-N 2.94Å; D50-L54 VanDerWaalsContact O-CB 3.28Å; D50-L54 WeakPolarHBondContact O-CB 3.09Å; D50-L54 PolarHBondContact O-N 2.93Å
51R92.7Very high89.8Confident67 Ų6758.9 Ų58.925%0.25331%0.31SS..Hα-helixtrans-64.4-39.1173.3-67.7-17790.6157.76.9111.9M37 Y40 V45 S47 E49 F55M37-R51 PolarHBondContact O-NH2 3.4Å; Y40-R51 HydrophobicContact CD2-CB 4.06Å; Y40-R51 HydrophobicContact CD2-CG 3.99Å; V45-R51 HydrophobicContact CG1-CB 4.45Å; V45-R51 HydrophobicContact CG1-CG 3.84Å; V45-R51 WeakPolarHBondContact O-CG 3.36Å; S47-R51 WeakPolarHBondContact O-CB 3.24Å; S47-R51 VanDerWaalsContact O-CG 3.27Å; S47-R51 WeakPolarHBondContact O-CG 3.47Å; S47-R51 PolarHBondContact O-N 3.48Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 3.28Å; R51-F55 WeakPolarHBondContact O-CB 3.49Å; R51-F55 PolarHBondContact O-N 3.5Å
52A90.1Very high89.6Confident50 Ų5059.6 Ų59.641%0.41331%0.307SS..Hα-helixtrans-67.3-45.8175.200000112M48 E49 L54 F55 Q56M48-A52 WeakPolarHBondContact O-CB 3.44Å; M48-A52 PolarHBondContact O-N 2.9Å; E49-A52 PolarHBondContact O-N 3.29Å; A52-L54 PolarHBondContact O-N 2.97Å; A52-F55 PolarHBondContact O-N 3.47Å; A52-Q56 WeakPolarHBondContact O-CG 3.45Å; A52-Q56 PolarHBondContact O-N 3.4Å
53R93.5Very high89.4Confident83 Ų8356.8 Ų56.831%0.31330%0.296SS..Hα-helixtrans-59.2-44.2175.3-68163.1176.8-133.810.3111.7A12 L14 E49 D50 Q56 L57A12-R53 WeakPolarHBondContact O-CD 3.49Å; A12-R53 PolarHBondContact O-NH1 2.84Å; L14-R53 HydrophobicContact CD1-CB 4.24Å; L14-R53 HydrophobicContact CD2-CB 4.24Å; L14-R53 HydrophobicContact CG-CB 4.3Å; E49-R53 WeakPolarHBondContact O-CG 3.29Å; E49-R53 PolarHBondContact O-N 3.33Å; E49-R53 IonicContact OE1-CZ 3.42Å; E49-R53 IonicContact OE1-NE 2.97Å; E49-R53 PolarHBondContact OE1-NE 2.93Å; E49-R53 IonicContact OE1-NH2 2.68Å; E49-R53 PolarHBondContact OE1-NH2 3.33Å; D50-R53 PolarHBondContact O-N 2.94Å; R53-Q56 PolarHBondContact O-N 3.29Å; R53-L57 PolarHBondContact O-N 2.99Å
54L93.7Very high88.8Confident0 Ų061 Ų610%032%0.318CS..Hα-helixtrans-67.9-41.2178.6-177.257.2000111.7L14 F21 Y40 L43 V45 D50 A52 Q56 L57 V58L14-L54 HydrophobicContact CD1-CB 3.73Å; L14-L54 HydrophobicContact CD1-CD1 4.05Å; L14-L54 HydrophobicContact CD1-CG 4.45Å; F21-L54 HydrophobicContact CE1-CD1 3.98Å; F21-L54 HydrophobicContact CZ-CD1 3.78Å; F21-L54 HydrophobicContact CZ-CD2 3.84Å; F21-L54 HydrophobicContact CZ-CG 4.49Å; Y40-L54 HydrophobicContact CD1-CD2 3.48Å; Y40-L54 VanDerWaalsContact CD1-CD2 3.48Å; Y40-L54 HydrophobicContact CD1-CG 4.29Å; Y40-L54 HydrophobicContact CD2-CB 4.44Å; Y40-L54 HydrophobicContact CD2-CD2 3.85Å; Y40-L54 HydrophobicContact CD2-CG 4.36Å; Y40-L54 HydrophobicContact CE1-CD2 3.54Å; Y40-L54 HydrophobicContact CE1-CG 3.84Å; Y40-L54 HydrophobicContact CE2-CB 3.98Å; Y40-L54 HydrophobicContact CE2-CD2 3.88Å; Y40-L54 HydrophobicContact CE2-CG 3.9Å; Y40-L54 HydrophobicContact CG-CD2 3.66Å; L43-L54 HydrophobicContact CD1-CD2 4.49Å; V45-L54 HydrophobicContact CB-CD2 4.16Å; V45-L54 HydrophobicContact CG1-CB 4.27Å; V45-L54 HydrophobicContact CG1-CD2 3.9Å; V45-L54 HydrophobicContact CG2-CD2 4.12Å; D50-L54 VanDerWaalsContact O-CB 3.28Å; D50-L54 WeakPolarHBondContact O-CB 3.09Å; D50-L54 PolarHBondContact O-N 2.93Å; A52-L54 PolarHBondContact O-N 2.97Å; L54-Q56 PolarHBondContact O-N 2.88Å; L54-L57 PolarHBondContact O-N 3.47Å; L54-V58 HydrophobicContact CD1-CG2 4.17Å; L54-V58 HydrophobicContact CG-CG2 4.4Å; L54-V58 WeakPolarHBondContact O-CB 3.35Å; L54-V58 VanDerWaalsContact O-CG2 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.37Å; L54-V58 PolarHBondContact O-N 2.88Å
55F94.1Very high88Confident91 Ų9162.8 Ų62.840%0.39932%0.323SS..Hα-helixtrans-59.7-46.4175-179.8-100.3000111.7M37 Y40 R51 A52 L57 V58 Q59M37-F55 HydrophobicContact SD-CB 4.29Å; M37-F55 HydrophobicContact SD-CD2 3.6Å; M37-F55 HydrophobicContact SD-CE2 4.37Å; M37-F55 HydrophobicContact SD-CG 4.32Å; Y40-F55 HydrophobicContact CE2-CB 4.36Å; Y40-F55 WeakPolarHBondContact OH-CA 3.4Å; Y40-F55 PolarHBondContact OH-N 2.98Å; R51-F55 WeakPolarHBondContact O-CB 3.49Å; R51-F55 PolarHBondContact O-N 3.5Å; A52-F55 PolarHBondContact O-N 3.47Å; F55-L57 PolarHBondContact O-N 2.94Å; F55-V58 PolarHBondContact O-N 3.06Å; F55-Q59 HydrophobicContact CD1-CG 4.27Å; F55-Q59 HydrophobicContact CE1-CG 3.93Å; F55-Q59 HydrophobicContact CE2-CG 4.3Å; F55-Q59 VanDerWaalsContact CE2-NE2 3.29Å; F55-Q59 HydrophobicContact CZ-CG 3.96Å; F55-Q59 VanDerWaalsContact CZ-NE2 3.26Å; F55-Q59 WeakPolarHBondContact O-CG 3.24Å; F55-Q59 PolarHBondContact O-N 3.48Å
56Q90.9Very high86.4Confident137 Ų13768.6 Ų68.664%0.6435%0.353SS*.Hα-helixtrans-59.4-44.5175.5-72.4175.3-7.700112A52 R53 L54 Q59 L60A52-Q56 WeakPolarHBondContact O-CG 3.45Å; A52-Q56 PolarHBondContact O-N 3.4Å; R53-Q56 PolarHBondContact O-N 3.29Å; L54-Q56 PolarHBondContact O-N 2.88Å; Q56-Q59 PolarHBondContact O-N 3.16Å; Q56-L60 WeakPolarHBondContact O-CB 3.3Å; Q56-L60 PolarHBondContact O-N 3.39Å
57L90.6Very high85.1Confident17 Ų1771.8 Ų71.89%0.08935%0.353CS..Hα-helixtrans-61.9-43.8176.5-176.864.2000112.2C8 L9 A12 L32 R53 L54 F55 L60 V61C8-L57 HydrophobicContact CB-CD1 4.24Å; C8-L57 HydrophobicContact CB-CD2 4.36Å; L9-L57 HydrophobicContact CD2-CD2 3.93Å; A12-L57 HydrophobicContact CB-CB 4.37Å; A12-L57 HydrophobicContact CB-CD2 4.02Å; L32-L57 HydrophobicContact CD1-CD2 3.79Å; L32-L57 HydrophobicContact CD1-CG 4.04Å; R53-L57 PolarHBondContact O-N 2.99Å; L54-L57 PolarHBondContact O-N 3.47Å; F55-L57 PolarHBondContact O-N 2.94Å; L57-L60 PolarHBondContact O-N 3.47Å; L57-V61 WeakPolarHBondContact O-CG2 3.38Å; L57-V61 PolarHBondContact O-N 2.96Å
58V91.2Very high83.3Confident2 Ų272.2 Ų72.21%0.01236%0.356CS..Hα-helixtrans-63.2-40.9177.4167.40000111.6L32 L35 L54 F55 K62L32-V58 HydrophobicContact CB-CG2 4.34Å; L32-V58 WeakPolarHBondContact O-CG1 3.37Å; L32-V58 WeakPolarHBondContact O-CG2 3.38Å; L35-V58 HydrophobicContact CB-CG2 4.38Å; L54-V58 HydrophobicContact CD1-CG2 4.17Å; L54-V58 HydrophobicContact CG-CG2 4.4Å; L54-V58 WeakPolarHBondContact O-CB 3.35Å; L54-V58 VanDerWaalsContact O-CG2 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.37Å; L54-V58 PolarHBondContact O-N 2.88Å; F55-V58 PolarHBondContact O-N 3.06Å; V58-K62 HydrophobicContact CG1-CD 4.06Å; V58-K62 VanDerWaalsContact O-CG 3.29Å; V58-K62 WeakPolarHBondContact O-CG 3.39Å; V58-K62 PolarHBondContact O-N 2.97Å
59Q89.2Confident81.3Confident86 Ų8671 Ų7140%0.40235%0.352SS..Hα-helixtrans-67.7-38.5174.9-64-60.7-10.300112.2F55 Q56 K62 S63F55-Q59 HydrophobicContact CD1-CG 4.27Å; F55-Q59 HydrophobicContact CE1-CG 3.93Å; F55-Q59 HydrophobicContact CE2-CG 4.3Å; F55-Q59 VanDerWaalsContact CE2-NE2 3.29Å; F55-Q59 HydrophobicContact CZ-CG 3.96Å; F55-Q59 VanDerWaalsContact CZ-NE2 3.26Å; F55-Q59 WeakPolarHBondContact O-CG 3.24Å; F55-Q59 PolarHBondContact O-N 3.48Å; Q56-Q59 PolarHBondContact O-N 3.16Å; Q59-K62 PolarHBondContact O-N 3.45Å; Q59-S63 WeakPolarHBondContact O-CB 3.46Å; Q59-S63 PolarHBondContact O-N 2.67Å
60L86.4Confident79Confident95 Ų9575 Ų7550%0.49736%0.362SS..Hα-helixtrans-62.1-47.7176.7-170.4154.7000110.9Q56 L57 S63 L64Q56-L60 WeakPolarHBondContact O-CB 3.3Å; Q56-L60 PolarHBondContact O-N 3.39Å; L57-L60 PolarHBondContact O-N 3.47Å; L60-S63 PolarHBondContact O-N 3.02Å; L60-S63 VanDerWaalsContact O-N 3.14Å; L60-S63 PolarHBondContact O-OG 3.36Å; L60-L64 HydrophobicContact CD2-CD1 3.68Å; L60-L64 HydrophobicContact CD2-CG 4.32Å; L60-L64 PolarHBondContact O-N 3.38Å
61V85.5Confident76.4Confident13 Ų1380.3 Ų80.38%0.07939%0.391CS..Hα-helixtrans-60.4-46.3175.6176.30000111.2L32 L57 S63 L64 D65L32-V61 HydrophobicContact CB-CG2 4.4Å; L32-V61 HydrophobicContact CD1-CG2 4.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.38Å; L57-V61 PolarHBondContact O-N 2.96Å; V61-S63 PolarHBondContact O-N 2.57Å; V61-L64 WeakPolarHBondContact O-CA 3.27Å; V61-L64 PolarHBondContact O-N 2.82Å; V61-D65 PolarHBondContact O-N 2.82Å
62K84.9Confident73.8Confident68 Ų6883 Ų8330%0.29641%0.41SS..Hα-helixtrans-55.3-39.3174.3-75.4167.9180171.60112.4S33 V58 Q59 L64 L66S33-K62 WeakPolarHBondContact O-CE 3.39Å; S33-K62 PolarHBondContact O-NZ 2.74Å; V58-K62 HydrophobicContact CG1-CD 4.06Å; V58-K62 VanDerWaalsContact O-CG 3.29Å; V58-K62 WeakPolarHBondContact O-CG 3.39Å; V58-K62 PolarHBondContact O-N 2.97Å; Q59-K62 PolarHBondContact O-N 3.45Å; K62-L64 VanDerWaalsContact C-N 3.25Å; K62-L64 PolarHBondContact O-N 3.17Å; K62-L66 WeakPolarHBondContact O-CB 3.38Å; K62-L66 PolarHBondContact O-N 2.75Å
63S81.9Confident71.4Confident44 Ų4487.6 Ų87.631%0.30843%0.428SS..Hα-helixtrans-73.7-10.9177.285.50000114.8Q59 L60 V61 R67Q59-S63 WeakPolarHBondContact O-CB 3.46Å; Q59-S63 PolarHBondContact O-N 2.67Å; L60-S63 PolarHBondContact O-N 3.02Å; L60-S63 VanDerWaalsContact O-N 3.14Å; L60-S63 PolarHBondContact O-OG 3.36Å; V61-S63 PolarHBondContact O-N 2.57Å; S63-R67 WeakPolarHBondContact O-CG 3.21Å; S63-R67 PolarHBondContact O-NE 3.37Å
64L76.1Confident68.6Low92 Ų9290.7 Ų90.748%0.48245%0.449SS..Hα-helixtrans-99.1-38.8174.3-67.4177.3000111.8L60 V61 K62 L66 R67 S68L60-L64 HydrophobicContact CD2-CD1 3.68Å; L60-L64 HydrophobicContact CD2-CG 4.32Å; L60-L64 PolarHBondContact O-N 3.38Å; V61-L64 WeakPolarHBondContact O-CA 3.27Å; V61-L64 PolarHBondContact O-N 2.82Å; K62-L64 VanDerWaalsContact C-N 3.25Å; K62-L64 PolarHBondContact O-N 3.17Å; L64-L66 VanDerWaalsContact C-N 3.25Å; L64-L66 PolarHBondContact O-N 2.96Å; L64-R67 WeakPolarHBondContact O-CA 3.31Å; L64-R67 PolarHBondContact O-N 2.89Å; L64-S68 PolarHBondContact O-N 2.85Å
65D69.4Low65.5Low58 Ų5893.9 Ų93.931%0.3148%0.482SS..Hα-helixtrans-53.4-46.8169.2-78.1-24.1000110S33 V61 R67 S68 L69S33-D65 VanDerWaalsContact CB-OD2 3.24Å; S33-D65 WeakPolarHBondContact CB-OD2 3.37Å; S33-D65 PolarHBondContact OG-OD2 3.21Å; V61-D65 PolarHBondContact O-N 2.82Å; D65-R67 PolarHBondContact O-N 2.94Å; D65-R67 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact O-N 2.96Å; D65-L69 WeakPolarHBondContact O-CG 3.48Å; D65-L69 PolarHBondContact O-N 2.85Å; D65-L69 VanDerWaalsContact O-N 3.13Å
66L57.7Low62.4Low122 Ų12296.6 Ų96.664%0.63950%0.499SS*.Hα-helixtrans-63.9-11.8174.9-82165.3000115.4K62 L64K62-L66 WeakPolarHBondContact O-CB 3.38Å; K62-L66 PolarHBondContact O-N 2.75Å; L64-L66 VanDerWaalsContact C-N 3.25Å; L64-L66 PolarHBondContact O-N 2.96Å
67R57.9Low59.3Low152 Ų152101 Ų10157%0.57451%0.511SS*.Hα-helixtrans-100.1-34.1172.8-67.2179.1-145.5-153.14.4112.4S63 L64 D65 L69 R70 N71S63-R67 WeakPolarHBondContact O-CG 3.21Å; S63-R67 PolarHBondContact O-NE 3.37Å; L64-R67 WeakPolarHBondContact O-CA 3.31Å; L64-R67 PolarHBondContact O-N 2.89Å; D65-R67 PolarHBondContact O-N 2.94Å; D65-R67 VanDerWaalsContact O-N 3.14Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 2.91Å; R67-R70 PolarHBondContact O-N 3.2Å; R67-N71 PolarHBondContact O-N 3.15Å; R67-N71 PolarHBondContact O-OD1 3.31Å
68S55.1Low56.3Low64 Ų64106.9 Ų106.945%0.44854%0.543SS..Hα-helixtrans-60.1-46.1172.7-150.80000109.9L64 D65 R70 N71 D72L64-S68 PolarHBondContact O-N 2.85Å; D65-S68 PolarHBondContact O-N 2.96Å; S68-R70 PolarHBondContact O-N 3.08Å; S68-N71 PolarHBondContact O-N 2.79Å; S68-D72 PolarHBondContact O-N 2.69Å
69L44.9Very low53.2Low131 Ų131114 Ų11469%0.68657%0.574SS**Hα-helixtrans-64.25172.9-65.4171.1000115.3D65 R67D65-L69 WeakPolarHBondContact O-CG 3.48Å; D65-L69 PolarHBondContact O-N 2.85Å; D65-L69 VanDerWaalsContact O-N 3.13Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 2.91Å
70R41.9Very low50.2Low198 Ų198115.5 Ų115.575%0.74759%0.592SS**Hα-helixtrans-115.2-13.7168.3-79.2-171.3171.1-148.7-1.6113.7R67 S68R67-R70 PolarHBondContact O-N 3.2Å; S68-R70 PolarHBondContact O-N 3.08Å
71N37.6Very low47.2Very low116 Ų116117 Ų11762%0.6260%0.601SS**Hα-helixtrans-102.5-21.8-174.4-72.68.3000112.4R67 S68 D73 I74R67-N71 PolarHBondContact O-N 3.15Å; R67-N71 PolarHBondContact O-OD1 3.31Å; S68-N71 PolarHBondContact O-N 2.79Å; N71-D73 PolarHBondContact O-N 2.78Å; N71-I74 PolarHBondContact O-N 2.93Å
72D37.9Very low44.5Very low124 Ų124126.6 Ų126.666%0.66364%0.637SS**THydrogen-bonded Turntrans-70.3-11.3179-62-37.1000113.2S68 I74S68-D72 PolarHBondContact O-N 2.69Å; D72-I74 VanDerWaalsContact C-N 3.34Å
73D38.7Very low41.7Very low147 Ų147132.4 Ų132.479%0.78667%0.665SS**THydrogen-bonded Turntrans-81.71.3173.7-82-32.8000114.3N71N71-D73 PolarHBondContact O-N 2.78Å
74I35.4Very low39.1Very low148 Ų148139 Ų13976%0.75969%0.691SS**  trans-128.186.2179.3-50.7-177.6000112.5N71 D72N71-I74 PolarHBondContact O-N 2.93Å; D72-I74 VanDerWaalsContact C-N 3.34Å
75G27.8Very low36.8Very low66 Ų66140.7 Ų140.768%0.6870%0.701SS**  trans-112149.1139.800000108.2
76I29.2Very low34.8Very low149 Ų149143.5 Ų143.576%0.76472%0.716SS**  cis-142.914119.6-73161.2000109
77Y26.5Very low33.5Very low228 Ų228145.5 Ų145.589%0.89472%0.722SS**  trans-153.4136.2131.9-114.8-76.1000110.9
78N27.4Very low32Very low142 Ų142145.5 Ų145.576%0.75973%0.733SS**  trans-66.9161.2162.2-63-45.4000108.2
79K25.8Very low30.6Very low152 Ų152151.3 Ų151.366%0.66175%0.75SS**  cis-159.7142.533.9178.5-178169-1230109.6D81K79-D81 VanDerWaalsContact CE-OD1 3.29Å; K79-D81 WeakPolarHBondContact CE-OD1 3.26Å; K79-D81 IonicContact NZ-OD1 2.96Å; K79-D81 PolarHBondContact NZ-OD1 3.08Å; K79-D81 IonicContact NZ-OD2 2.88Å; K79-D81 PolarHBondContact NZ-OD2 3.3Å
80C25.5Very low30.3Very low116 Ų116150.4 Ų150.478%0.78475%0.752SS**PPolyproline II helixtrans-88.5127.3162.3-59.30000108.5
81D24.8Very low29.6Very low126 Ų126144.8 Ų144.867%0.67474%0.743SS**PPolyproline II helixtrans-95.1139.2159.5-80.1-57.5000108.5K79K79-D81 VanDerWaalsContact CE-OD1 3.29Å; K79-D81 WeakPolarHBondContact CE-OD1 3.26Å; K79-D81 IonicContact NZ-OD1 2.96Å; K79-D81 PolarHBondContact NZ-OD1 3.08Å; K79-D81 IonicContact NZ-OD2 2.88Å; K79-D81 PolarHBondContact NZ-OD2 3.3Å
82Y27.3Very low29.2Very low216 Ų216146.4 Ų146.485%0.84775%0.752SS**PPolyproline II helixtrans-92.2135.7174.1-85.7-104.6000108.8
83E26Very low28.7Very low190 Ų190147.8 Ų147.889%0.88876%0.759SS**  trans-136.7160.3139.4-74.7-158.5153.800108.9
84E28.5Very low28.1Very low181 Ų181144.7 Ų144.785%0.84675%0.749SS**  trans-77.1176.4176.7-67.9158.8136.400108.3
85D27.8Very low27.6Very low128 Ų128147.1 Ų147.168%0.68475%0.754SS**  cis-172166.740.6-155.16000113.2
86N26.9Very low27.4Very low117 Ų117149 Ų14963%0.62676%0.757SS**  trans33.7135.4155.4-73.4-46.8000124.6
87E29.7Very low28Very low165 Ų165147 Ų14777%0.77175%0.754SS**  trans34.5143.4132.4-53.4-162.5144.300121.6
88L27.7Very low28Very low152 Ų152143.8 Ų143.880%0.79675%0.752SS**  cis-164.7157.546.1-162.375.6000112.2
89F25.1Very low27.9Very low186 Ų186140.3 Ų140.382%0.81675%0.75SS**  trans-75.2168164-93.8-72.2000110.9
90P38.4Very low27.9Very low111 Ų111143.1 Ų143.172%0.72176%0.762SS**  cis-155.91644644.6-22.5000121.6
91S27.6Very low27.9Very low81 Ų81142 Ų14257%0.56676%0.762SS**  trans57.4124.3136.368.60000123.3
92N28.5Very low27.9Very low150 Ų150142.3 Ų142.380%0.80277%0.768SS**  62.4141.3125.7-52.6-8.5000118.8
93N27.7Very low27.7Very low152 Ų152138.1 Ų138.181%0.81376%0.764SS**  cis-156171.141.9-143.71.5000113.7
94S26.6Very low27.6Very low83 Ų83135.8 Ų135.858%0.5877%0.768SS**  trans-92.7149.3178.3490000113.6
95F25.3Very low27.3Very low198 Ų198133.2 Ų133.287%0.86876%0.759SS**  176.2162.5109.6-107.4-87.5000112.4
96S23.9Very low27.2Very low106 Ų106135 Ų13574%0.74177%0.768SS**  trans-111.5-175.5173.6-47.20000108.9
97P40.9Very low27Very low106 Ų106139.5 Ų139.569%0.68878%0.776SS**  cis-140.8-160.27.342.8-21.2000115.6
98D26.5Very low26.8Very low161 Ų161140 Ų14086%0.86178%0.779SS**  trans69.8150.5166.7-62.2-38000118.5
99G26.4Very low26.6Very low70 Ų70137.7 Ų137.772%0.72278%0.775SS**  cis-150.7-159.77.300000115.2
100K25.1Very low26.6Very low210 Ų210137.1 Ų137.191%0.91377%0.772SS**  trans-100.3134.1-165-54.8167.2-175.9168.10114.9
101A25.7Very low25.9Very low94 Ų94138.5 Ų138.578%0.77777%0.774SS**  trans176.5127.514400000107
102V23.6Very low25.8Very low131 Ų131139.5 Ų139.579%0.79478%0.781SS**  cis78.1126.429.9-164.20000113.9
103V23.1Very low25.7Very low128 Ų128141.5 Ų141.578%0.77678%0.783SS**  trans72.8112.3-177-163.20000116.9
104C23.9Very low25.6Very low142 Ų142141 Ų14196%0.95978%0.779SS**  trans-146.891.1141.2-121.10000108.1
105D23.1Very low25.4Very low126 Ų126142.9 Ų142.967%0.67478%0.782SS**  trans-97.4122.7166.6179.115.6000107.8
106L25Very low25.4Very low165 Ų165139.7 Ų139.786%0.86477%0.77SS**  trans-164.3143.1141.2-131.672.1000112.2
107R22.7Very low25.4Very low213 Ų213144.4 Ų144.480%0.80477%0.772SS**  trans-94.8143170.3-50.9168.1-173.8173.10109.4
108Q25.7Very low24.7Very low176 Ų176144.2 Ų144.282%0.82277%0.773SS**  171.4112.8116.2-93.7167.88300115.2
109S24.3Very low24.5Very low103 Ų103142.7 Ų142.772%0.7277%0.774SS**  41.4148.9115.3-158.70000122.7
110K24.5Very low24.3Very low173 Ų173144.6 Ų144.675%0.75278%0.776SS**  trans88.4141.6172-55.6170.6-175.9171.30114.3
111N24.9Very low24.2Very low140 Ų140140.5 Ų140.575%0.74977%0.772SS**  cis-161.5174.1-2.2-125.4-4.9000112.7
112S25.7Very low24.1Very low103 Ų103143.5 Ų143.572%0.7278%0.775SS**  trans71135.3164.97.50000116.5
113K25Very low25.1Very low192 Ų192142.3 Ų142.384%0.83577%0.77SS**  67130.155.8-73.2-171.6176.2-174.90111.8
114L25.5Very low25.2Very low141 Ų141143 Ų14374%0.73877%0.769SS**  cis-150.9175.925.1-101.8132000112.1
115N23.9Very low25.3Very low122 Ų122143.4 Ų143.465%0.65276%0.761SS**  trans23.7155.7144.5-72.622.5000122.3
116E24.9Very low25.4Very low132 Ų132140.9 Ų140.962%0.61777%0.765SS**  cis-161.2156.922.6-138158.8-95.900115.9
117R24.2Very low25.4Very low204 Ų204142.1 Ų142.177%0.7777%0.767SS**  trans33.5126.1143.6-80.6172.8-179160.6-9.4124.8
118S24.4Very low25.4Very low103 Ų103137.4 Ų137.472%0.7277%0.766SS**  56.5146.2127.970.50000121.2
119C23Very low25.4Very low129 Ų129137.1 Ų137.187%0.87277%0.769SS**  -160.1-174.855.3-105.40000113.9
120S22.1Very low25.3Very low109 Ų109140.2 Ų140.276%0.76277%0.772SS**  trans-119.5149.2-172.4550000114.9
121C23Very low25.3Very low125 Ų125139.9 Ų139.985%0.84578%0.777SS**  trans-170.8142.3148.647.30000114.9
122D23.8Very low25.2Very low157 Ų157140.5 Ų140.584%0.8478%0.775SS**  trans-100.2-159.7155.2-50.1-75.6000108.3
123P44.2Very low25Very low106 Ų106142.2 Ų142.269%0.68878%0.781SS**  cis-137.4-171.1-15.925.20.5000114.7
124L26.5Very low24.9Very low141 Ų141137.6 Ų137.674%0.73877%0.769SS**  trans132.2134.5131.1-69.9176.4000118.5
125N26.2Very low24.8Very low151 Ų151140.9 Ų140.981%0.80777%0.772SS**  trans52.9161152.7-58.6-10.7000118.9
126G23.8Very low24.7Very low73 Ų73142.4 Ų142.475%0.75378%0.775SS**  cis174.7179.7-0.700000108
127Q25Very low24.6Very low191 Ų191141.4 Ų141.489%0.89378%0.782SS**  cis-162.9160.4-9.1-176.1167.1-21.400108.8
128S23.2Very low24.5Very low114 Ų114137.1 Ų137.180%0.79778%0.784SS**  trans-76.4149.6-168.3-380000117.2
129I24.9Very low24.6Very low170 Ų170138.6 Ų138.687%0.87279%0.788SS**  trans-137.6146.7151.4-64.3-173.8000109.8
130Q23.6Very low24.6Very low168 Ų168140.1 Ų140.179%0.78579%0.787SS**  trans-126.7143.3179.7174.1-168.713.600109.1
131L23.6Very low24.7Very low167 Ų167142 Ų14287%0.87479%0.789SS**  trans-152.3145.6165-110.7170.6000113.1
132H22Very low24.8Very low152 Ų152140 Ų14070%0.70478%0.776SS**  trans-90.1163.1174.5-104.1-101.1000111.4
133V22.9Very low24.9Very low140 Ų140140.5 Ų140.585%0.84877%0.773SS**  -172.4178.9127.1142.10000109.7
134T22.2Very low24Very low95 Ų95142 Ų14258%0.58377%0.774SS**  trans-130.6160.7-149.356.50000115.9
135R22.8Very low23.8Very low210 Ų210146.1 Ų146.179%0.79278%0.779SS**  trans69.5167.8154.8-71.8156.5169.2-127.811.5115.3
136E22Very low23.7Very low154 Ų154146 Ų14672%0.7278%0.778SS**  cis-142.9-157.66.6-143.2141.9-121.400113
137S23.7Very low23.8Very low110 Ų110148.2 Ų148.277%0.76978%0.777SS**  trans-138.7140.9-159.757.80000117.7
138S22.9Very low23.9Very low115 Ų115144.9 Ų144.980%0.80477%0.772SS**  trans-167.3154.2154.158.30000110.3
139V25.2Very low24Very low134 Ų134148.7 Ų148.781%0.81277%0.774SS**  cis104.790-1.2-173.30000117.8
140L22.8Very low24Very low160 Ų160145.7 Ų145.784%0.83877%0.768SS**  trans-173.6136.3150.6-120.361.8000106.9
141N23.9Very low24Very low149 Ų149146.4 Ų146.480%0.79777%0.772SS**  62.4135.558.9-80.8-12.4000114.6
142S25.7Very low24Very low84 Ų84144.3 Ų144.359%0.58777%0.766SS**  cis-173177.14.949.90000113.8
143H26Very low24.1Very low167 Ų167147 Ų14777%0.77378%0.776SS**  trans71.2173.4160.2-63-57.5000121.2
144I25.5Very low24.2Very low138 Ų138146.3 Ų146.371%0.70877%0.767SS**  -167.7148.2-68.1-110.8174.1000112
145R23.2Very low24.4Very low226 Ų226150 Ų15085%0.85378%0.775SS**  trans66.6166169-86.6173.3-178.9-173.50.8116.6
146L23.2Very low24.5Very low150 Ų150147.1 Ų147.179%0.78578%0.775SS**  cis-151.4-167.111.6-131.4163.8000112.1
147V26.6Very low24.8Very low118 Ų118146.9 Ų146.972%0.71578%0.779SS**  trans-137148.8-173.6175.90000112
148P27.2Very low25Very low121 Ų121148 Ų14879%0.78678%0.783SS**  trans-131.3-177.1160.439.4-25.1000116
149K23.6Very low25.3Very low194 Ų194147 Ų14784%0.84378%0.782SS**  trans-147.6177.2-176.3-59.4-173.2175.1-177.30109.9
150S24.8Very low25.6Very low108 Ų108146.8 Ų146.876%0.75578%0.783SS**  cis-125.9-119.56.2-49.60000112.8
151E24.1Very low25.8Very low183 Ų183144 Ų14486%0.85578%0.783SS**  cis-144.4-167.57.7-79.6-171.815400111.4
152T24.6Very low25.9Very low123 Ų123141.6 Ų141.676%0.75578%0.784SS**  trans-142.8147.9-172.853.20000113.6
153F24Very low25.9Very low209 Ų209144.5 Ų144.592%0.91780%0.798SS**  trans-144.9169.3160.7-110.3-81.5000114.5
154N25.3Very low25.8Very low124 Ų124142.5 Ų142.566%0.66380%0.798SS**  trans-118.7166.9-172.2-87.6-119.9000109.7
155K25.4Very low25.8Very low173 Ų173140.7 Ų140.775%0.75280%0.797SS**  cis-151.2-167.16.2-131.1159.9-172.3175.40107.6
156L25Very low25.9Very low150 Ų150138.7 Ų138.779%0.78580%0.797SS**  cis-174.9168.228.8-125.9153.1000107.6
157N27.8Very low25.9Very low149 Ų149135.9 Ų135.980%0.79779%0.791SS**  trans-109.9160.3167-82.6-7000111.3
158P29.4Very low25.9Very low133 Ų133139 Ų13986%0.86480%0.802SS**  trans-130.4163.8135.337.8-28.5000113.5
159A28.4Very low25.8Very low94 Ų94140 Ų14078%0.77780%0.799SS**  trans-110.6158.8178.500000111.9
160P31.6Very low25.9Very low129 Ų129138.6 Ų138.684%0.83880%0.801SS**  trans-84.4151.5172.734.3-33.8000112.6
161A26.9Very low26Very low102 Ų102142.7 Ų142.784%0.84381%0.805SS**  trans-99.8169.5176.700000112.5
162A26Very low26.3Very low98 Ų98139.8 Ų139.881%0.8180%0.802SS**  trans-105.6144176.500000112
163V26.2Very low26.3Very low145 Ų145139.8 Ų139.888%0.87981%0.808SS**  trans-140.4150.1169.5-178.90000109
164T23.1Very low26.4Very low126 Ų126134.8 Ų134.877%0.77381%0.805SS**  trans-109.6173.1-170490000114.2
165S25.2Very low26.5Very low100 Ų100138.4 Ų138.470%0.69982%0.818SS**  trans88.9154.9163.7970000116.9
166E26Very low26.7Very low183 Ų183139.7 Ų139.786%0.85582%0.823SS**  cis-148178.12.4-149.3145.9-112.400112.8
167S22.9Very low26.9Very low92 Ų92139.6 Ų139.664%0.64382%0.823SS**  trans-109.1147.8-172.461.40000114.6
168L25.8Very low26.9Very low182 Ų182142.9 Ų142.995%0.95383%0.825SS**  trans-140.6158.4153-90-177.8000112.3
169I25.8Very low26.8Very low142 Ų142146.7 Ų146.773%0.72883%0.828SS**  trans-130137.3-165.2-63.5166.1000109.9
170N25.7Very low26.7Very low166 Ų166147.2 Ų147.289%0.88882%0.821SS**  trans-160.2172.2139.2-115.3-45.4000115.3
171K26.6Very low26.6Very low193 Ų193148.9 Ų148.984%0.83982%0.822SS**  trans-106.9178.1-157.4-102.8-171.4176.2175.30114.5
172P31Very low26.7Very low122 Ų122152.8 Ų152.879%0.79282%0.82SS**  trans-102.2166.7-143.340.3-39.1000116
173S24.8Very low27.1Very low124 Ų124159.6 Ų159.687%0.86783%0.825SS**  trans-122.9147.7153.158.70000109.5
174A25Very low27.2Very low103 Ų103162.2 Ų162.285%0.85182%0.824SS**  trans-109.8133-173.400000111.8
175Q27.3Very low27.6Very low201 Ų201165.9 Ų165.994%0.93983%0.829SS**  trans-140.4142.6160.8-129.8167.3-4.400109.9
176K31.4Very low27.9Very low199 Ų199169.1 Ų169.187%0.86583%0.831SS**  trans-75.3137.8-177.6-61.8168.6178.81720109.5
177D27.5Very low28.1Very low148 Ų148164.7 Ų164.779%0.79182%0.82SS**  trans-154.4169.6140.8-131.1-40.1000114.3
178R29.4Very low28.8Very low219 Ų219167.1 Ų167.183%0.82683%0.834SS**  trans-28.7131.5-173.9-72.8156165.8176.2-4.4117.5T180R178-T180 PolarHBondContact O-N 3.02Å
179K26.3Very low29.3Very low212 Ų212162.8 Ų162.892%0.92282%0.824SS**  trans-69.484.4163.1-78.6-172.9174.9-179.60111.6
180T27.1Very low29.9Very low105 Ų105160.3 Ų160.364%0.64481%0.812SS**  trans-72.9121.7163.5-50.40000109.2R178 F182R178-T180 PolarHBondContact O-N 3.02Å; T180-F182 PolarHBondContact O-N 2.87Å
181I29.3Very low30.7Very low165 Ų165158.6 Ų158.685%0.84681%0.807SS**  trans-7599178.6-60177.8000109R183I181-R183 PolarHBondContact O-N 3Å
182F28.2Very low31.7Very low183 Ų183155.6 Ų155.680%0.80381%0.806SS**  trans-68.9119.3175.4-94-95.1000111.2T180 K184T180-F182 PolarHBondContact O-N 2.87Å; F182-K184 PolarHBondContact O-N 2.71Å
183R34.8Very low33Very low241 Ų241158.3 Ų158.391%0.90981%0.805SS**  trans-64.4102174.1-163.6175.3-172.2178.32.8109.2I181 K185I181-R183 PolarHBondContact O-N 3Å; R183-K185 PolarHBondContact O-N 2.83Å; R183-K185 VanDerWaalsContact O-N 3.15Å
184K27.9Very low35.4Very low200 Ų200158.1 Ų158.187%0.8780%0.801SS**  trans-64.7110.1-173.5-160.6178-172.4-177.50110.2F182 K186F182-K184 PolarHBondContact O-N 2.71Å; K184-K186 PolarHBondContact O-N 2.92Å
185K31.6Very low38.1Very low203 Ų203156.3 Ų156.388%0.88378%0.779SS**PPolyproline II helixtrans-59.7126.9171.1-77.1-174.5173.3-177.20108.9R183R183-K185 PolarHBondContact O-N 2.83Å; R183-K185 VanDerWaalsContact O-N 3.15Å
186K32.4Very low40.8Very low169 Ų169149 Ų14974%0.73575%0.749SS**PPolyproline II helixtrans-66146.1169-79.1-171.5175.5-176.20109.9K184 D190K184-K186 PolarHBondContact O-N 2.92Å; K186-D190 WeakPolarHBondContact CE-OD2 3.39Å; K186-D190 IonicContact NZ-OD2 3.38Å; K186-D190 PolarHBondContact NZ-OD2 2.59Å
187S29.6Very low43.4Very low89 Ų89144.4 Ų144.462%0.62273%0.733SS**PPolyproline II helixtrans-74.4154.1169420000111.1A189S187-A189 PolarHBondContact O-N 3.41Å
188P37.3Very low46.1Very low144 Ų144143.6 Ų143.694%0.93572%0.72SS**SBendtrans-78.362.5-178.834.3-37.1000111.9
189A37.1Very low48.6Very low90 Ų90138.2 Ų138.274%0.74470%0.704SS**  trans-155.942.5-18000000111.6S187S187-A189 PolarHBondContact O-N 3.41Å
190D37.1Very low51.1Low90 Ų90129.1 Ų129.148%0.48167%0.669SS.*  trans-119.6111.1174.2-159.92.1000107.6K186 T192K186-D190 WeakPolarHBondContact CE-OD2 3.39Å; K186-D190 IonicContact NZ-OD2 3.38Å; K186-D190 PolarHBondContact NZ-OD2 2.59Å; D190-T192 PolarHBondContact O-N 2.92Å
191V42.3Very low52.9Low130 Ų130133.1 Ų133.179%0.78868%0.677SS**  trans-65.9117.8179177.30000106.9K193V191-K193 PolarHBondContact O-N 2.93Å
192T49Very low54.1Low131 Ų131131.5 Ų131.580%0.80468%0.675SS**  trans-61.694.2-174.748.30000110.6D190D190-T192 PolarHBondContact O-N 2.92Å
193K58.7Low54.7Low179 Ų179127.1 Ų127.178%0.77866%0.663SS**PPolyproline II helixtrans-55.7131.9168.9-63.7-178.6-178.4179.50107.5V191 T195V191-K193 PolarHBondContact O-N 2.93Å; K193-T195 PolarHBondContact O-N 3.11Å
194P74.6Confident54.9Low120 Ų120120.3 Ų120.378%0.77966%0.659SS**PPolyproline II helixtrans-60.3134.7-179.825.4-33.8000109.5P196P194-P196 VanDerWaalsContact O-N 3.17Å
195T80.9Confident55.3Low65 Ų65112.8 Ų112.840%0.39964%0.637SS.*PPolyproline II helixtrans-54.1119.7176.2-53.20000108.9K193 I197 I277K193-T195 PolarHBondContact O-N 3.11Å; T195-I197 PolarHBondContact O-N 3.04Å; T195-I277 HydrophobicContact CG2-CD1 4.31Å; T195-I277 HydrophobicContact CG2-CG1 4.02Å
196P83.9Confident55.6Low47 Ų47113 Ų11331%0.30563%0.634SS.*PPolyproline II helixtrans-64.6133.7-173.424.8-33.7000110.6P194 Y198 E275 Y276 I277P194-P196 VanDerWaalsContact O-N 3.17Å; P196-Y198 HydrophobicContact CB-CE2 3.74Å; P196-Y198 HydrophobicContact CG-CE2 4.02Å; P196-E275 WeakPolarHBondContact CD-O 3.4Å; P196-Y276 WeakPolarHBondContact O-CA 3.4Å; P196-Y276 WeakPolarHBondContact O-CB 3.44Å; P196-I277 PolarHBondContact O-N 3.36Å
197I85.7Confident55.9Low102 Ų102108.7 Ų108.752%0.52362%0.619SS.*EExtended strand (participates in β ladder)trans-103.7124.4-179.4-53.3-178.2000108.5T195 I277 Q279T195-I197 PolarHBondContact O-N 3.04Å; I197-I277 WeakPolarHBondContact CA-O 3.38Å; I197-I277 HydrophobicContact CG1-CB 4.34Å; I197-I277 HydrophobicContact CG2-CG2 4.43Å; I197-Q279 HydrophobicContact CG2-CG 3.7Å
198Y84.5Confident56.5Low131 Ų131113.7 Ų113.751%0.51463%0.626SS.*EExtended strand (participates in β ladder)trans-118.1140.7176.2-62.5-86000109.9P196 Y276 I277 L278 Q279P196-Y198 HydrophobicContact CB-CE2 3.74Å; P196-Y198 HydrophobicContact CG-CE2 4.02Å; Y198-Y276 AromaticContact CD2-CD2 3.65Å; Y198-Y276 HydrophobicContact CD2-CD2 3.65Å; Y198-Y276 HydrophobicContact CD2-CE2 4.44Å; Y198-Y276 HydrophobicContact CD2-CG 4.06Å; Y198-Y276 HydrophobicContact CE2-CD2 4.21Å; Y198-Y276 HydrophobicContact CE2-CG 4.17Å; Y198-I277 PolarHBondContact N-O 2.71Å; Y198-L278 CarbonylContact O-C 3.55Å; Y198-L278 WeakPolarHBondContact O-CA 3.25Å; Y198-Q279 PolarHBondContact O-N 3.45Å
199E83.3Confident56.7Low106 Ų106110.5 Ų110.550%0.49562%0.619SS.*EExtended strand (participates in β ladder)trans-85.1129.8172.7-174.1163.8-176.400110.7K201 R281E199-K201 PolarHBondContact O-N 3.25Å; E199-K201 VanDerWaalsContact O-N 3.09Å; E199-R281 VanDerWaalsContact CD-CZ 3.4Å; E199-R281 WeakPolarHBondContact OE1-CD 3.35Å; E199-R281 IonicContact OE1-CZ 3.19Å; E199-R281 IonicContact OE1-NE 2.66Å; E199-R281 IonicContact OE1-NH1 3.45Å; E199-R281 PolarHBondContact OE1-NH1 2.81Å; E199-R281 IonicContact OE2-CZ 3.85Å; E199-R281 VanDerWaalsContact OE2-CZ 3.28Å; E199-R281 IonicContact OE2-NH1 2.71Å; E199-R281 PolarHBondContact OE2-NH1 2.87Å; E199-R281 IonicContact OE2-NH2 3.31Å; E199-R281 PolarHBondContact OE2-NH2 2.62Å
200A77.5Confident56.6Low22 Ų22110.6 Ų110.618%0.18261%0.607CS.*  trans-69.5104.6176.600000109.6T202 L278 Q279 H280A200-T202 PolarHBondContact O-N 3.2Å; A200-L278 HydrophobicContact CB-CD1 3.83Å; A200-L278 HydrophobicContact CB-CG 3.98Å; A200-Q279 VanDerWaalsContact CB-O 3.24Å; A200-Q279 WeakPolarHBondContact CB-O 3.42Å; A200-Q279 PolarHBondContact N-O 2.96Å; A200-H280 HydrophobicContact CB-CB 4.46Å
201K65.4Low56.3Low189 Ų189111.3 Ų111.382%0.82262%0.616SS**  trans-60.6120170.6-66.6-176.4179.2-1790109.2E199 T203E199-K201 PolarHBondContact O-N 3.25Å; E199-K201 VanDerWaalsContact O-N 3.09Å; K201-T203 PolarHBondContact O-N 3.47Å; K201-T203 PolarHBondContact O-OG1 3.27Å
202T54.2Low56Low130 Ų130111.3 Ų111.380%0.79861%0.611SS**  trans-67.973.5171.738.10000110.4A200 A204A200-T202 PolarHBondContact O-N 3.2Å; T202-A204 PolarHBondContact O-N 2.9Å
203T40Very low55.5Low91 Ų91108.6 Ų108.656%0.55860%0.597SS**  trans-68.297.8178.1-52.10000109K201 G205 Y206K201-T203 PolarHBondContact O-N 3.47Å; K201-T203 PolarHBondContact O-OG1 3.27Å; T203-G205 VanDerWaalsContact C-N 3.28Å; T203-G205 PolarHBondContact O-N 3.13Å; T203-Y206 PolarHBondContact O-N 3.13Å
204A39.1Very low54.2Low99 Ų99105.6 Ų105.682%0.81860%0.596SS**THydrogen-bonded Turntrans-60.290.516900000109.2T202T202-A204 PolarHBondContact O-N 2.9Å
205G37.2Very low52.4Low41 Ų41105.8 Ų105.842%0.42360%0.597SS.*THydrogen-bonded Turntrans160.1-22.6-16900000115.4T203 N207T203-G205 VanDerWaalsContact C-N 3.28Å; T203-G205 PolarHBondContact O-N 3.13Å; G205-N207 PolarHBondContact O-N 3.08Å
206Y37.7Very low50.2Low207 Ų207111.8 Ų111.881%0.81262%0.621SS**  trans-78.261173.5-102.8-79.5000112.5T203T203-Y206 PolarHBondContact O-N 3.13Å
207N39.4Very low47.9Very low80 Ų80114 Ų11443%0.42864%0.643SS.*  trans-78125.3177.6-72.47.7000110.9G205 G209 L210G205-N207 PolarHBondContact O-N 3.08Å; N207-G209 PolarHBondContact O-N 3.1Å; N207-L210 PolarHBondContact ND2-O 3.04Å
208Y42.3Very low45.8Very low194 Ų194113.7 Ų113.776%0.76166%0.655SS**SBendtrans-73.663.9169.1-70.9-90000111.5
209G40.3Very low43.4Very low76 Ų76115.1 Ų115.178%0.78467%0.672SS**SBendtrans8322.2169.300000117.2N207N207-G209 PolarHBondContact O-N 3.1Å
210L36.4Very low41.2Very low93 Ų93118.5 Ų118.549%0.48769%0.685SS.*  trans-118.6140.7175.6-70.6174.9000112.4N207N207-L210 PolarHBondContact ND2-O 3.04Å
211P30.2Very low38.9Very low104 Ų104126 Ų12668%0.67571%0.714SS**  trans-69.3147.6-175.128.4-35.1000112.7
212L36.5Very low37.4Very low131 Ų131123 Ų12369%0.68671%0.711SS**  trans-69147-175.4-68.6163.6000112.6
213S37.7Very low36.2Very low74 Ų74123.1 Ų123.152%0.51771%0.707SS.*  trans-121.9138.7158.8-54.60000106.7
214P32.2Very low36Very low116 Ų116126.1 Ų126.175%0.75372%0.718SS**PPolyproline II helixtrans-68.2145.3-172.427.6-34.7000111.5Q216P214-Q216 PolarHBondContact O-N 2.82Å
215P36.4Very low35.7Very low123 Ų123128.6 Ų128.680%0.79971%0.712SS**PPolyproline II helixtrans-68.8124.4178.928.2-33.8000110.7
216Q33.7Very low35.9Very low191 Ų191129.9 Ų129.989%0.89373%0.726SS**PPolyproline II helixtrans-73.7143.2169.1-66.8-172.60.900110.3P214P214-Q216 PolarHBondContact O-N 2.82Å
217A35.3Very low36.1Very low93 Ų93128.8 Ų128.877%0.76973%0.728SS**PPolyproline II helixtrans-69.3138.3-172.700000112.8N219A217-N219 PolarHBondContact O-N 2.8Å
218A43.1Very low36.7Very low96 Ų96128 Ų12879%0.79374%0.739SS**  trans-77.683.1-173.500000113.5
219N33.1Very low37.6Very low162 Ų162123.1 Ų123.187%0.86672%0.723SS**  trans-96.176.5165-88.2-31000110.9A217 K221A217-N219 PolarHBondContact O-N 2.8Å; N219-K221 PolarHBondContact O-N 2.76Å
220K37.2Very low39.2Very low176 Ų176126 Ų12677%0.76571%0.71SS**  trans-85.497.2172.3-74.5-175.1178.8177.20110.9
221K29Very low41.6Very low180 Ų180122.3 Ų122.378%0.78369%0.691SS**  trans-70.2146.3141.3-75.5-172.6176.3-177.40108N219N219-K221 PolarHBondContact O-N 2.76Å
222V34.3Very low44.6Very low127 Ų127119.1 Ų119.177%0.7767%0.671SS**  trans-96.598171.1178.70000106.6I224V222-I224 PolarHBondContact O-N 2.61Å
223D28.9Very low47.3Very low132 Ų132112.9 Ų112.971%0.70664%0.638SS**  trans-74.7120.2174.3-64.4-51.9000109.1H225D223-H225 PolarHBondContact O-N 2.63Å
224I35.8Very low50.1Low153 Ų153109.4 Ų109.479%0.78561%0.613SS**SBendtrans-82.46.7-171.8-69.1171.7000111.8V222V222-I224 PolarHBondContact O-N 2.61Å
225H34Very low53.2Low151 Ų151103.9 Ų103.970%0.69958%0.578SS**SBendtrans-120.4112.3173.7-70.1-3.1000110.1D223 E227D223-H225 PolarHBondContact O-N 2.63Å; H225-E227 PolarHBondContact O-N 3.14Å
226G39.7Very low56.1Low69 Ų6998.8 Ų98.871%0.71154%0.543SS*.THydrogen-bonded Turntrans-7742.3-171.300000115.3
227E42Very low59.1Low184 Ų18490.1 Ų90.186%0.8650%0.502SS*.THydrogen-bonded Turntrans-84.4-17.1-178.8-60-167.2131.800113.1H225H225-E227 PolarHBondContact O-N 3.14Å
228G52.4Low62Low63 Ų6387.2 Ų87.265%0.64947%0.471SS*.SBendtrans-953.6-175.100000117.1
229Q60.8Low64.5Low91 Ų9186 Ų8643%0.42546%0.455SS..  trans-110.196.9-173.7-150.8177.3-9.200111.4I231 D285Q229-I231 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 2.86Å; Q229-D285 PolarHBondContact NE2-OD1 3.14Å; Q229-D285 PolarHBondContact NE2-OD2 3.14Å
230R74.8Confident67.4Low138 Ų13880.5 Ų80.552%0.52143%0.425SS..SBendtrans-68.1-31.5-177.2-67.3-172.1-78.5-174.1-5.8113.7T525 R555R230-T525 PolarHBondContact O-N 3.48Å; R230-R555 WeakPolarHBondContact CG-OXT 3.5Å; R230-R555 PolarHBondContact NE-OXT 3.05Å; R230-R555 PolarHBondContact NH2-O 2.68Å; R230-R555 PolarHBondContact NH2-OXT 2.95Å
231I87.1Confident69.9Low15 Ų1575.1 Ų75.18%0.07741%0.407CS..EExtended strand (participates in β ladder)trans-126.9123.6178.7-60.9167.3000108.5Q229 V233 F519 T525 V551 L554Q229-I231 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 2.86Å; I231-V233 HydrophobicContact CG2-CG2 4.04Å; I231-F519 HydrophobicContact CD1-CD1 4.23Å; I231-F519 HydrophobicContact CD1-CE1 4.29Å; I231-T525 WeakPolarHBondContact CA-O 3.4Å; I231-T525 HydrophobicContact CG1-CG2 4.2Å; I231-T525 HydrophobicContact CG2-CG2 4.15Å; I231-V551 HydrophobicContact CG2-CG1 3.86Å; I231-L554 HydrophobicContact CD1-CB 4.47Å; I231-L554 HydrophobicContact CD1-CD1 3.57Å
232S92.3Very high72.8Confident37 Ų3773.5 Ų73.526%0.25941%0.407SS..EExtended strand (participates in β ladder)trans-96142.8164.6-1730000111D285 T525 C526 M527S232-D285 WeakPolarHBondContact CA-OD2 3.38Å; S232-D285 WeakPolarHBondContact OG-CB 3.46Å; S232-D285 PolarHBondContact OG-OD2 2.87Å; S232-T525 PolarHBondContact N-O 3.31Å; S232-C526 CarbonylContact O-C 3.56Å; S232-C526 WeakPolarHBondContact O-CA 3.39Å; S232-M527 PolarHBondContact O-N 3.01Å
233V93.8Very high75.4Confident0 Ų070.2 Ų70.20%039%0.393CS..EExtended strand (participates in β ladder)trans-125.9121.3179.5-172.20000110.9I231 F284 D285 M527 A548 V551 K552I231-V233 HydrophobicContact CG2-CG2 4.04Å; V233-F284 HydrophobicContact CB-CD1 4.46Å; V233-F284 HydrophobicContact CG1-CD1 3.87Å; V233-F284 HydrophobicContact CG1-CE1 4.21Å; V233-D285 PolarHBondContact N-OD2 3.03Å; V233-D285 WeakPolarHBondContact O-CB 3.39Å; V233-D285 PolarHBondContact O-N 2.89Å; V233-M527 HydrophobicContact CG2-CB 4.47Å; V233-A548 HydrophobicContact CG1-CB 3.81Å; V233-V551 HydrophobicContact CG2-CB 4.14Å; V233-V551 HydrophobicContact CG2-CG1 3.79Å; V233-K552 HydrophobicContact CB-CB 4.01Å; V233-K552 HydrophobicContact CG2-CB 3.88Å
234C96.2Very high78.5Confident0 Ų064.6 Ų64.60%036%0.362CS..EExtended strand (participates in β ladder)trans-123.3147.6-179.1-56.40000110.5Q286 F288 T301 M527 I528 A529C234-Q286 VanDerWaalsContact CA-O 3.26Å; C234-Q286 WeakPolarHBondContact CA-O 3.39Å; C234-Q286 HydrophobicContact CB-CB 4.16Å; C234-F288 HydrophobicContact CB-CE2 3.87Å; C234-T301 HydrophobicContact CB-CG2 4.08Å; C234-M527 PolarHBondContact N-O 3.02Å; C234-I528 CarbonylContact O-C 3.58Å; C234-I528 WeakPolarHBondContact O-CA 3.27Å; C234-A529 PolarHBondContact O-N 3.4Å
235V97.5Very high81.2Confident0 Ų060.7 Ų60.70%035%0.347CS..EExtended strand (participates in β ladder)trans-110.1142.3175.3164.10000110.4F284 Q286 V287 F288 A529 I531 L545V235-F284 HydrophobicContact CB-CD2 4.02Å; V235-F284 HydrophobicContact CB-CE2 4.44Å; V235-F284 HydrophobicContact CB-CG 4.32Å; V235-F284 HydrophobicContact CG2-CB 4.47Å; V235-F284 HydrophobicContact CG2-CD1 3.95Å; V235-F284 HydrophobicContact CG2-CD2 3.35Å; V235-F284 HydrophobicContact CG2-CE1 4.04Å; V235-F284 HydrophobicContact CG2-CE2 3.43Å; V235-F284 VanDerWaalsContact CG2-CE2 3.43Å; V235-F284 HydrophobicContact CG2-CG 3.61Å; V235-F284 HydrophobicContact CG2-CZ 3.8Å; V235-Q286 PolarHBondContact N-O 2.88Å; V235-V287 HydrophobicContact CB-CG1 4.47Å; V235-V287 HydrophobicContact CB-CG2 4.4Å; V235-V287 HydrophobicContact CG1-CG1 4.39Å; V235-V287 WeakPolarHBondContact O-CA 3.39Å; V235-F288 VanDerWaalsContact O-CD2 3.27Å; V235-F288 WeakPolarHBondContact O-CD2 3.43Å; V235-F288 PolarHBondContact O-N 3.18Å; V235-A529 WeakPolarHBondContact CA-O 3.39Å; V235-A529 HydrophobicContact CG2-CB 3.97Å; V235-I531 HydrophobicContact CG1-CD1 3.66Å; V235-I531 HydrophobicContact CG1-CG1 4.11Å; V235-L545 HydrophobicContact CB-CD2 4.43Å; V235-L545 HydrophobicContact CG1-CD2 3.98Å; V235-L545 HydrophobicContact CG2-CD2 3.51Å
236R97.3Very high84Confident17 Ų1762.4 Ų62.46%0.06435%0.353CS..EExtended strand (participates in β ladder)trans-125.5112.6169.7-174.5178.3-166.3-176.312.3111.3F288 S292 N294 T330 I528 A529 N530 I531R236-F288 HydrophobicContact CB-CB 4.22Å; R236-F288 HydrophobicContact CB-CD2 4.31Å; R236-F288 HydrophobicContact CG-CB 4.04Å; R236-S292 PolarHBondContact NH2-O 3.35Å; R236-N294 VanDerWaalsContact CZ-OD1 3.29Å; R236-N294 PolarHBondContact NH1-OD1 3.36Å; R236-N294 PolarHBondContact NH2-OD1 2.91Å; R236-T330 PolarHBondContact NH1-OG1 3.16Å; R236-I528 HydrophobicContact CB-CG2 4.28Å; R236-A529 PolarHBondContact N-O 3.24Å; R236-N530 WeakPolarHBondContact O-CA 3.02Å; R236-I531 PolarHBondContact O-N 3.41Å
237K97.1Very high86.5Confident8 Ų866.3 Ų66.34%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-71.9137.6162.2-174.6-173.6176.1-169.40108.4D251 V253 T255 F288 E290 I531 P533K237-D251 WeakPolarHBondContact CE-OD2 3.04Å; K237-D251 VanDerWaalsContact NZ-CG 3.3Å; K237-D251 IonicContact NZ-OD1 2.71Å; K237-D251 PolarHBondContact NZ-OD1 3.36Å; K237-D251 IonicContact NZ-OD2 3.88Å; K237-D251 PolarHBondContact NZ-OD2 3.21Å; K237-V253 HydrophobicContact CD-CB 4.29Å; K237-V253 HydrophobicContact CD-CG1 4.13Å; K237-V253 VanDerWaalsContact CE-O 3.3Å; K237-V253 WeakPolarHBondContact CE-O 3.48Å; K237-V253 HydrophobicContact CG-CG1 4.39Å; K237-V253 PolarHBondContact NZ-O 3.03Å; K237-T255 HydrophobicContact CB-CG2 4.18Å; K237-T255 HydrophobicContact CD-CG2 4.32Å; K237-F288 PolarHBondContact N-O 2.83Å; K237-E290 WeakPolarHBondContact CD-OE2 3.36Å; K237-E290 VanDerWaalsContact CE-OE2 3.26Å; K237-E290 WeakPolarHBondContact CE-OE2 3.29Å; K237-E290 IonicContact NZ-OE1 2.66Å; K237-E290 IonicContact NZ-OE2 2.78Å; K237-E290 PolarHBondContact NZ-OE2 3.42Å; K237-I531 HydrophobicContact CB-CD1 4.47Å; K237-I531 HydrophobicContact CB-CG1 4.3Å; K237-P533 HydrophobicContact CG-CB 4.49Å
238R95.4Very high88.9Confident33 Ų3360.3 Ų60.313%0.12533%0.334CS..PPolyproline II helixtrans-98.5156.9164.363.6157.417985.9-1.6110.3E244 G324 I531 S532 P533R238-E244 IonicContact CZ-OE1 3.42Å; R238-E244 IonicContact CZ-OE2 3.22Å; R238-E244 IonicContact NH1-OE1 3.47Å; R238-E244 PolarHBondContact NH1-OE1 3.16Å; R238-E244 IonicContact NH1-OE2 3.73Å; R238-E244 PolarHBondContact NH1-OE2 3.32Å; R238-E244 IonicContact NH2-OE1 3.67Å; R238-E244 PolarHBondContact NH2-OE1 3.07Å; R238-E244 IonicContact NH2-OE2 2.83Å; R238-E244 PolarHBondContact NH2-OE2 3.46Å; R238-G324 WeakPolarHBondContact CD-O 3.36Å; R238-G324 PolarHBondContact NE-O 3.46Å; R238-I531 PolarHBondContact N-O 2.83Å; R238-S532 PolarHBondContact NH2-OG 3.37Å; R238-S532 VanDerWaalsContact NH2-OG 3.07Å; R238-P533 WeakPolarHBondContact O-CD 3.32Å; R238-P533 VanDerWaalsContact O-CG 3.29Å; R238-P533 WeakPolarHBondContact O-CG 3.44Å
239P95Very high90.9Very high71 Ų7158.9 Ų58.946%0.46131%0.311SS..PPolyproline II helixtrans-60.1159.5166.723.8-33.4000112.4E290P239-E290 HydrophobicContact CB-CB 3.96Å
240L94Very high92.5Very high45 Ų4559.2 Ų59.224%0.23632%0.318CS..PPolyproline II helixtrans-62.3135.3163.7-77.1166.2000109.8E244 E249 D251 P533L240-E244 HydrophobicContact CD2-CB 3.88Å; L240-E249 HydrophobicContact CD2-CB 4.31Å; L240-D251 HydrophobicContact CD1-CB 4.02Å; L240-P533 HydrophobicContact CD2-CB 4.43Å; L240-P533 HydrophobicContact CD2-CG 3.79Å; L240-P533 HydrophobicContact CG-CB 4.37Å; L240-P533 HydrophobicContact CG-CG 3.82Å
241T91.4Very high93.5Very high64 Ų6455 Ų5539%0.39331%0.307SS..PPolyproline II helixtrans-77.7154.8175.361.40000111.1A243 E244 C245T241-A243 PolarHBondContact O-N 3.39Å; T241-E244 WeakPolarHBondContact CB-OE2 3.06Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.44Å; T241-E244 PolarHBondContact N-OE2 3.04Å; T241-E244 WeakPolarHBondContact O-CA 3.38Å; T241-E244 WeakPolarHBondContact O-CB 3.47Å; T241-E244 PolarHBondContact O-N 3.45Å; T241-E244 VanDerWaalsContact OG1-CD 3.3Å; T241-E244 WeakPolarHBondContact OG1-CG 3.3Å; T241-E244 PolarHBondContact OG1-N 3.31Å; T241-E244 PolarHBondContact OG1-OE2 2.71Å; T241-C245 PolarHBondContact O-N 3.09Å; T241-C245 PolarHBondContact O-SG 3.1Å; T241-C245 VanDerWaalsContact O-SG 3.38Å
242L89.9Confident93.9Very high146 Ų14654.9 Ų54.976%0.76431%0.306SS*.Hα-helixtrans-53.5-28173.3-61.3177.1000113.2K246L242-K246 WeakPolarHBondContact O-CB 3.43Å; L242-K246 WeakPolarHBondContact O-CG 3.39Å; L242-K246 PolarHBondContact O-N 3.03Å; L242-K246 VanDerWaalsContact O-N 3.16Å
243A88.9Confident94.1Very high58 Ų5853.2 Ų53.248%0.47929%0.294SS..Hα-helixtrans-77.4-28.3176.200000113.3T241 R247T241-A243 PolarHBondContact O-N 3.39Å; A243-R247 VanDerWaalsContact C-NH1 3.33Å; A243-R247 WeakPolarHBondContact O-CG 3.33Å; A243-R247 PolarHBondContact O-NH1 2.91Å
244E92.5Very high94.2Very high14 Ų1456.4 Ų56.47%0.06531%0.314CS..Hα-helixtrans-76.8-46.6172.7-75.6158.3141.500110.7R238 L240 T241 K246 R247 G248 E249R238-E244 IonicContact CZ-OE1 3.42Å; R238-E244 IonicContact CZ-OE2 3.22Å; R238-E244 IonicContact NH1-OE1 3.47Å; R238-E244 PolarHBondContact NH1-OE1 3.16Å; R238-E244 IonicContact NH1-OE2 3.73Å; R238-E244 PolarHBondContact NH1-OE2 3.32Å; R238-E244 IonicContact NH2-OE1 3.67Å; R238-E244 PolarHBondContact NH2-OE1 3.07Å; R238-E244 IonicContact NH2-OE2 2.83Å; R238-E244 PolarHBondContact NH2-OE2 3.46Å; L240-E244 HydrophobicContact CD2-CB 3.88Å; T241-E244 WeakPolarHBondContact CB-OE2 3.06Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.44Å; T241-E244 PolarHBondContact N-OE2 3.04Å; T241-E244 WeakPolarHBondContact O-CA 3.38Å; T241-E244 WeakPolarHBondContact O-CB 3.47Å; T241-E244 PolarHBondContact O-N 3.45Å; T241-E244 VanDerWaalsContact OG1-CD 3.3Å; T241-E244 WeakPolarHBondContact OG1-CG 3.3Å; T241-E244 PolarHBondContact OG1-N 3.31Å; T241-E244 PolarHBondContact OG1-OE2 2.71Å; E244-K246 VanDerWaalsContact C-N 3.29Å; E244-K246 PolarHBondContact O-N 2.95Å; E244-R247 VanDerWaalsContact CG-NH2 3.34Å; E244-R247 WeakPolarHBondContact O-CA 3.41Å; E244-R247 PolarHBondContact O-N 2.64Å; E244-G248 PolarHBondContact O-N 3.15Å; E244-E249 HydrophobicContact CB-CB 3.93Å; E244-E249 HydrophobicContact CB-CG 3.9Å; E244-E249 HydrophobicContact CG-CG 4.16Å; E244-E249 WeakPolarHBondContact O-CB 3.34Å; E244-E249 WeakPolarHBondContact O-CG 3.43Å; E244-E249 PolarHBondContact O-N 3.33Å; E244-E249 VanDerWaalsContact O-N 3.16Å
245C92.8Very high94.1Very high70 Ų7057.4 Ų57.447%0.47332%0.32SS..Hα-helixtrans-57.4-41.5175.5-56.60000111.8T241 R247 G248T241-C245 PolarHBondContact O-N 3.09Å; T241-C245 PolarHBondContact O-SG 3.1Å; T241-C245 VanDerWaalsContact O-SG 3.38Å; C245-R247 PolarHBondContact O-N 2.78Å; C245-G248 PolarHBondContact O-N 3.36Å
246K93.4Very high93.7Very high188 Ų18859.1 Ų59.182%0.81733%0.331SS*.THydrogen-bonded Turntrans-65.1-18.3174.8-79177.7179.4-173.20114.7L242 E244L242-K246 WeakPolarHBondContact O-CB 3.43Å; L242-K246 WeakPolarHBondContact O-CG 3.39Å; L242-K246 PolarHBondContact O-N 3.03Å; L242-K246 VanDerWaalsContact O-N 3.16Å; E244-K246 VanDerWaalsContact C-N 3.29Å; E244-K246 PolarHBondContact O-N 2.95Å
247R92.4Very high92.8Very high150 Ų15064.5 Ų64.557%0.56637%0.371SS*.THydrogen-bonded Turntrans-91.9-5.2173-68.5-170.4-47-93.214.3113.3A243 E244 C245 E249A243-R247 VanDerWaalsContact C-NH1 3.33Å; A243-R247 WeakPolarHBondContact O-CG 3.33Å; A243-R247 PolarHBondContact O-NH1 2.91Å; E244-R247 VanDerWaalsContact CG-NH2 3.34Å; E244-R247 WeakPolarHBondContact O-CA 3.41Å; E244-R247 PolarHBondContact O-N 2.64Å; C245-R247 PolarHBondContact O-N 2.78Å; R247-E249 VanDerWaalsContact C-N 3.34Å; R247-E249 HydrophobicContact CB-CG 4.11Å; R247-E249 IonicContact CZ-OE1 2.75Å; R247-E249 IonicContact NE-OE1 3.76Å; R247-E249 PolarHBondContact NE-OE1 2.73Å; R247-E249 IonicContact NH2-OE1 2.69Å; R247-E249 PolarHBondContact NH2-OE1 3.27Å
248G92.1Very high91.6Very high59 Ų5968.4 Ų68.461%0.60841%0.414SS*.THydrogen-bonded Turntrans70.928.2-170.900000113.3E244 C245 V250E244-G248 PolarHBondContact O-N 3.15Å; C245-G248 PolarHBondContact O-N 3.36Å; G248-V250 PolarHBondContact O-N 2.66Å
249E94Very high91.1Very high33 Ų3371.7 Ų71.715%0.15443%0.431CS..PPolyproline II helixtrans-63.7126.5173.1-66.5-95.8-162.700110L240 E244 R247 S536L240-E249 HydrophobicContact CD2-CB 4.31Å; E244-E249 HydrophobicContact CB-CB 3.93Å; E244-E249 HydrophobicContact CB-CG 3.9Å; E244-E249 HydrophobicContact CG-CG 4.16Å; E244-E249 WeakPolarHBondContact O-CB 3.34Å; E244-E249 WeakPolarHBondContact O-CG 3.43Å; E244-E249 PolarHBondContact O-N 3.33Å; E244-E249 VanDerWaalsContact O-N 3.16Å; R247-E249 VanDerWaalsContact C-N 3.34Å; R247-E249 HydrophobicContact CB-CG 4.11Å; R247-E249 IonicContact CZ-OE1 2.75Å; R247-E249 IonicContact NE-OE1 3.76Å; R247-E249 PolarHBondContact NE-OE1 2.73Å; R247-E249 IonicContact NH2-OE1 2.69Å; R247-E249 PolarHBondContact NH2-OE1 3.27Å; E249-S536 WeakPolarHBondContact OE1-CB 3.48Å; E249-S536 PolarHBondContact OE1-OG 3.08Å; E249-S536 WeakPolarHBondContact OE2-CB 2.96Å; E249-S536 PolarHBondContact OE2-N 3.26Å; E249-S536 VanDerWaalsContact OE2-N 3.13Å; E249-S536 PolarHBondContact OE2-OG 2.86Å
250V93.8Very high90.9Very high97 Ų9770.8 Ų70.859%0.58843%0.425SS*.PPolyproline II helixtrans-86.1140.7176.9-179.10000109.4G248 G534 H535G248-V250 PolarHBondContact O-N 2.66Å; V250-G534 CarbonylContact O-C 3.57Å; V250-G534 WeakPolarHBondContact O-CA 3.39Å; V250-H535 PolarHBondContact O-N 2.87Å
251D96.5Very high90.9Very high51 Ų5169.6 Ų69.627%0.27342%0.419SS..BIsolated β-bridgetrans-74.6122.9170.3-161-40000110.4K237 L240 V253 P533K237-D251 WeakPolarHBondContact CE-OD2 3.04Å; K237-D251 VanDerWaalsContact NZ-CG 3.3Å; K237-D251 IonicContact NZ-OD1 2.71Å; K237-D251 PolarHBondContact NZ-OD1 3.36Å; K237-D251 IonicContact NZ-OD2 3.88Å; K237-D251 PolarHBondContact NZ-OD2 3.21Å; L240-D251 HydrophobicContact CD1-CB 4.02Å; D251-V253 PolarHBondContact OD1-N 2.88Å; D251-P533 WeakPolarHBondContact OD2-CB 3.34Å
252V96.3Very high91Very high11 Ų1166.6 Ų66.67%0.06740%0.4CS..  trans-109.811.9179.1-61.70000112.9V264 H265 P533 H535V252-V264 CarbonylContact O-C 3.55Å; V252-V264 WeakPolarHBondContact O-CA 3.37Å; V252-H265 PolarHBondContact O-CD2 2.85Å; V252-H265 PolarHBondContact O-N 3.42Å; V252-P533 WeakPolarHBondContact CG2-O 3.41Å; V252-P533 PolarHBondContact N-O 3.33Å; V252-H535 HydrophobicContact CG1-CB 3.84Å
253V96.8Very high91.3Very high2 Ų260 Ų601%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-125.9113.3-175.5-174.70000111.6K237 D251 T255 V263 V264 I531 T541K237-V253 HydrophobicContact CD-CB 4.29Å; K237-V253 HydrophobicContact CD-CG1 4.13Å; K237-V253 VanDerWaalsContact CE-O 3.3Å; K237-V253 WeakPolarHBondContact CE-O 3.48Å; K237-V253 HydrophobicContact CG-CG1 4.39Å; K237-V253 PolarHBondContact NZ-O 3.03Å; D251-V253 PolarHBondContact OD1-N 2.88Å; V253-T255 HydrophobicContact CG1-CG2 4.42Å; V253-V263 WeakPolarHBondContact CA-O 3.37Å; V253-V264 HydrophobicContact CG2-CG2 4.49Å; V253-I531 HydrophobicContact CG1-CD1 3.74Å; V253-T541 HydrophobicContact CG2-CG2 4.07Å
254T95.4Very high91.6Very high67 Ų6757.2 Ų57.241%0.41134%0.343SS..EExtended strand (participates in β ladder)trans-101.7130.8171.5-52.80000110.7P256 V263 H265T254-P256 HydrophobicContact CG2-CG 4.34Å; T254-V263 PolarHBondContact N-O 3.18Å; T254-V263 PolarHBondContact O-N 2.94Å; T254-H265 PolarHBondContact OG1-NE2 2.82Å
255T93.6Very high91.8Very high22 Ų2258.6 Ų58.614%0.13535%0.35CS..  trans-12193.7172.451.40000108.1K237 V253 S257 A262 V287 G289K237-T255 HydrophobicContact CB-CG2 4.18Å; K237-T255 HydrophobicContact CD-CG2 4.32Å; V253-T255 HydrophobicContact CG1-CG2 4.42Å; T255-S257 PolarHBondContact O-N 2.95Å; T255-A262 HydrophobicContact CG2-CB 4.43Å; T255-V287 HydrophobicContact CG2-CG1 3.51Å; T255-G289 WeakPolarHBondContact OG1-CA 3.27Å
256P88.4Confident91.9Very high36 Ų3656.4 Ų56.423%0.23433%0.333CS..  trans-62.3130.5-175.2-22.534.3000112.2T254 G258 E259 M261T254-P256 HydrophobicContact CG2-CG 4.34Å; P256-G258 PolarHBondContact O-N 3.47Å; P256-E259 HydrophobicContact CB-CB 4.23Å; P256-E259 HydrophobicContact CB-CG 4.29Å; P256-E259 PolarHBondContact O-N 2.9Å; P256-E259 VanDerWaalsContact O-N 3.08Å; P256-M261 WeakPolarHBondContact CD-O 3.49Å; P256-M261 HydrophobicContact CG-CE 3.87Å
257S78.7Confident91.8Very high129 Ų12950.4 Ų50.490%0.90231%0.314SS*.THydrogen-bonded Turntrans-61.6124.3-175.4-51.90000111.8T255 E259T255-S257 PolarHBondContact O-N 2.95Å; S257-E259 VanDerWaalsContact C-N 3.34Å
258G72.9Confident91.7Very high90 Ų9046.7 Ų46.793%0.92830%0.302SS*.THydrogen-bonded Turntrans88.1-8.6-177.900000114.9P256P256-G258 PolarHBondContact O-N 3.47Å
259E83.8Confident91.7Very high102 Ų10249.9 Ų49.948%0.47730%0.301SS..SBendtrans-100.7138.5174.3-64-176.3-154.400111.4P256 S257 M261P256-E259 HydrophobicContact CB-CB 4.23Å; P256-E259 HydrophobicContact CB-CG 4.29Å; P256-E259 PolarHBondContact O-N 2.9Å; P256-E259 VanDerWaalsContact O-N 3.08Å; S257-E259 VanDerWaalsContact C-N 3.34Å; E259-M261 HydrophobicContact CB-CB 4.27Å; E259-M261 PolarHBondContact O-N 3.37Å; E259-M261 VanDerWaalsContact OE2-CE 3.27Å; E259-M261 WeakPolarHBondContact OE2-CE 3.49Å
260C90.8Very high91.5Very high52 Ų5250 Ų5035%0.35131%0.307SS..SBendtrans-80.544.8171.8-62.30000111.6H283 F284 D285C260-H283 CarbonylContact O-C 3.56Å; C260-H283 WeakPolarHBondContact O-CA 3.3Å; C260-F284 WeakPolarHBondContact CB-O 3.45Å; C260-F284 PolarHBondContact O-N 3.23Å; C260-D285 PolarHBondContact SG-O 3.1Å
261M93.7Very high91.4Very high21 Ų2152.7 Ų52.710%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-122.3138.2-175.9-174.9173.76300112P256 E259 V263 R281 Y282 H283P256-M261 WeakPolarHBondContact CD-O 3.49Å; P256-M261 HydrophobicContact CG-CE 3.87Å; E259-M261 HydrophobicContact CB-CB 4.27Å; E259-M261 PolarHBondContact O-N 3.37Å; E259-M261 VanDerWaalsContact OE2-CE 3.27Å; E259-M261 WeakPolarHBondContact OE2-CE 3.49Å; M261-V263 HydrophobicContact CE-CG2 3.67Å; M261-V263 HydrophobicContact CG-CG2 4.08Å; M261-V263 HydrophobicContact SD-CG2 3.99Å; M261-R281 HydrophobicContact SD-CB 4.15Å; M261-R281 HydrophobicContact SD-CG 4.28Å; M261-Y282 WeakPolarHBondContact CA-O 3.4Å; M261-H283 PolarHBondContact SD-CE1 2.79Å
262A94.4Very high91.1Very high0 Ų055.4 Ų55.40%034%0.339CS..EExtended strand (participates in β ladder)trans-115.6132.8165.500000109.8T255 Y282 V287 L545T255-A262 HydrophobicContact CG2-CB 4.43Å; A262-Y282 PolarHBondContact N-O 3.04Å; A262-Y282 PolarHBondContact O-N 3.13Å; A262-V287 HydrophobicContact CB-CG1 4.28Å; A262-L545 HydrophobicContact CB-CD1 4.44Å
263V95.6Very high90.9Very high8 Ų861 Ų615%0.04837%0.368CS..EExtended strand (participates in β ladder)trans-118.1125.1177.8-171.60000109.3V253 T254 M261 Q279 H280 R281V253-V263 WeakPolarHBondContact CA-O 3.37Å; T254-V263 PolarHBondContact N-O 3.18Å; T254-V263 PolarHBondContact O-N 2.94Å; M261-V263 HydrophobicContact CE-CG2 3.67Å; M261-V263 HydrophobicContact CG-CG2 4.08Å; M261-V263 HydrophobicContact SD-CG2 3.99Å; V263-Q279 HydrophobicContact CG1-CB 4.23Å; V263-Q279 HydrophobicContact CG1-CG 4.27Å; V263-H280 WeakPolarHBondContact CA-O 3.49Å; V263-R281 HydrophobicContact CG1-CG 4.2Å; V263-R281 HydrophobicContact CG2-CG 4.11Å
264V96.7Very high90.6Very high0 Ų064 Ų640%039%0.385CS..EExtended strand (participates in β ladder)trans-107.4124.5174.8-174.30000109.8V252 V253 E266 Q279 H280 Y282 T538 T541 L542 L545V252-V264 CarbonylContact O-C 3.55Å; V252-V264 WeakPolarHBondContact O-CA 3.37Å; V253-V264 HydrophobicContact CG2-CG2 4.49Å; V264-E266 PolarHBondContact O-N 2.86Å; V264-Q279 WeakPolarHBondContact O-CA 3.43Å; V264-H280 HydrophobicContact CB-CB 4.48Å; V264-H280 PolarHBondContact N-O 3.45Å; V264-H280 PolarHBondContact O-N 2.94Å; V264-Y282 HydrophobicContact CG2-CE2 4.48Å; V264-T538 HydrophobicContact CG1-CG2 4.13Å; V264-T541 HydrophobicContact CG2-CG2 3.94Å; V264-L542 HydrophobicContact CB-CD2 3.9Å; V264-L542 HydrophobicContact CG1-CD2 3.93Å; V264-L542 HydrophobicContact CG1-CG 4.12Å; V264-L542 HydrophobicContact CG2-CD2 4.17Å; V264-L545 HydrophobicContact CG2-CD1 3.47Å; V264-L545 VanDerWaalsContact CG2-CD1 3.47Å
265H95.8Very high90.5Very high42 Ų4266.8 Ų66.819%0.19439%0.394CS..EExtended strand (participates in β ladder)trans-94.583.4179.8-53.7-75.6000109.8V252 T254 S267 I277 Q279V252-H265 PolarHBondContact O-CD2 2.85Å; V252-H265 PolarHBondContact O-N 3.42Å; T254-H265 PolarHBondContact OG1-NE2 2.82Å; H265-S267 PolarHBondContact O-N 2.95Å; H265-I277 HydrophobicContact CB-CG2 3.79Å; H265-Q279 PolarHBondContact CE1-NE2 3.03Å; H265-Q279 VanDerWaalsContact CE1-NE2 3.28Å; H265-Q279 PolarHBondContact ND1-NE2 2.85Å
266E94.3Very high90.4Very high25 Ų2568.5 Ų68.512%0.11740%0.398CS..EExtended strand (participates in β ladder)trans-77.6113.2-179.1-176.9-179.8-152.100110.5V264 K268 L278 H280 T538 L542V264-E266 PolarHBondContact O-N 2.86Å; E266-K268 HydrophobicContact CG-CD 4.09Å; E266-K268 HydrophobicContact CG-CG 4.34Å; E266-K268 WeakPolarHBondContact OE1-CE 3.49Å; E266-K268 IonicContact OE1-NZ 3.22Å; E266-K268 PolarHBondContact OE1-NZ 2.82Å; E266-K268 WeakPolarHBondContact OE2-CE 3.35Å; E266-K268 IonicContact OE2-NZ 2.75Å; E266-K268 PolarHBondContact OE2-NZ 2.87Å; E266-L278 HydrophobicContact CB-CB 4.39Å; E266-L278 PolarHBondContact N-O 2.91Å; E266-L278 PolarHBondContact O-N 2.78Å; E266-H280 IonicContact OE2-CD2 3.61Å; E266-H280 IonicContact OE2-CE1 3.46Å; E266-H280 PolarHBondContact OE2-CE1 3.37Å; E266-H280 IonicContact OE2-NE2 2.68Å; E266-H280 PolarHBondContact OE2-NE2 2.79Å; E266-T538 HydrophobicContact CB-CG2 4.05Å; E266-T538 HydrophobicContact CG-CG2 3.93Å; E266-L542 HydrophobicContact CB-CD1 4.32Å; E266-L542 HydrophobicContact CG-CD1 4.24Å
267S92.3Very high90.6Very high62 Ų6268.9 Ų68.943%0.43440%0.398SS..EExtended strand (participates in β ladder)trans-67.8134171-170.50000110.7H265H265-S267 PolarHBondContact O-N 2.95Å
268K90.5Very high91.3Very high72 Ų7264.2 Ų64.231%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-137.2156.3-178.1-69.1-57.8-152.5-162.50110.9E266 E275 Y276 L278E266-K268 HydrophobicContact CG-CD 4.09Å; E266-K268 HydrophobicContact CG-CG 4.34Å; E266-K268 WeakPolarHBondContact OE1-CE 3.49Å; E266-K268 IonicContact OE1-NZ 3.22Å; E266-K268 PolarHBondContact OE1-NZ 2.82Å; E266-K268 WeakPolarHBondContact OE2-CE 3.35Å; E266-K268 IonicContact OE2-NZ 2.75Å; E266-K268 PolarHBondContact OE2-NZ 2.87Å; K268-E275 CarbonylContact O-C 3.51Å; K268-E275 WeakPolarHBondContact O-CA 3.37Å; K268-Y276 HydrophobicContact CB-CD1 3.89Å; K268-Y276 HydrophobicContact CB-CD2 3.93Å; K268-Y276 HydrophobicContact CB-CE1 3.47Å; K268-Y276 VanDerWaalsContact CB-CE1 3.47Å; K268-Y276 HydrophobicContact CB-CE2 3.53Å; K268-Y276 HydrophobicContact CB-CG 4.11Å; K268-Y276 HydrophobicContact CG-CE2 3.87Å; K268-Y276 PolarHBondContact N-O 3.39Å; K268-Y276 PolarHBondContact O-N 2.85Å; K268-L278 HydrophobicContact CG-CB 4.06Å; K268-L278 HydrophobicContact CG-CD2 4.38Å
269E91.6Very high92.3Very high126 Ų12661.3 Ų61.359%0.58933%0.325SS*.EExtended strand (participates in β ladder)trans-114.6135.6170.6-164.1179.2133.300108.5L273E269-L273 WeakPolarHBondContact OE1-CD2 3.49Å
270A89.9Confident92.8Very high34 Ų3457.4 Ų57.428%0.28131%0.307SS..  trans-89.4168.7174.800000111.5D272 L273 T274 Y276A270-D272 WeakPolarHBondContact CB-OD1 3.24Å; A270-D272 PolarHBondContact O-N 2.93Å; A270-D272 VanDerWaalsContact O-N 3.15Å; A270-L273 WeakPolarHBondContact O-CA 3.21Å; A270-L273 PolarHBondContact O-N 2.88Å; A270-T274 WeakPolarHBondContact CB-O 3.23Å; A270-T274 PolarHBondContact N-O 3.37Å; A270-Y276 HydrophobicContact CB-CD1 4.05Å; A270-Y276 HydrophobicContact CB-CE1 3.9Å
271V91.2Very high93Very high154 Ų15459.3 Ų59.393%0.93331%0.307SS*.THydrogen-bonded Turntrans-64.5-20.9-174.1-176.50000113L273V271-L273 VanDerWaalsContact C-N 3.31Å
272D91.4Very high93Very high109 Ų10959 Ų5958%0.58331%0.305SS*.THydrogen-bonded Turntrans-876.3173.668.9-29.9000113.8A270 T274A270-D272 WeakPolarHBondContact CB-OD1 3.24Å; A270-D272 PolarHBondContact O-N 2.93Å; A270-D272 VanDerWaalsContact O-N 3.15Å; D272-T274 VanDerWaalsContact C-N 3.29Å; D272-T274 VanDerWaalsContact CG-OG1 3.26Å; D272-T274 VanDerWaalsContact OD1-CB 3.3Å; D272-T274 WeakPolarHBondContact OD1-CB 3.41Å; D272-T274 PolarHBondContact OD1-N 2.82Å; D272-T274 VanDerWaalsContact OD1-N 3.1Å; D272-T274 PolarHBondContact OD1-OG1 2.87Å; D272-T274 WeakPolarHBondContact OD2-CB 3.45Å; D272-T274 PolarHBondContact OD2-OG1 2.9Å
273L91.8Very high92.9Very high129 Ų12964.4 Ų64.468%0.67533%0.33SS*.SBendtrans67.619.4-172.4-39.3177.3000114.3E269 A270 V271E269-L273 WeakPolarHBondContact OE1-CD2 3.49Å; A270-L273 WeakPolarHBondContact O-CA 3.21Å; A270-L273 PolarHBondContact O-N 2.88Å; V271-L273 VanDerWaalsContact C-N 3.31Å
274T91.1Very high92.8Very high63 Ų6364.3 Ų64.339%0.38733%0.328SS..  trans-79.5120.3172.1-66.80000110.6A270 D272A270-T274 WeakPolarHBondContact CB-O 3.23Å; A270-T274 PolarHBondContact N-O 3.37Å; D272-T274 VanDerWaalsContact C-N 3.29Å; D272-T274 VanDerWaalsContact CG-OG1 3.26Å; D272-T274 VanDerWaalsContact OD1-CB 3.3Å; D272-T274 WeakPolarHBondContact OD1-CB 3.41Å; D272-T274 PolarHBondContact OD1-N 2.82Å; D272-T274 VanDerWaalsContact OD1-N 3.1Å; D272-T274 PolarHBondContact OD1-OG1 2.87Å; D272-T274 WeakPolarHBondContact OD2-CB 3.45Å; D272-T274 PolarHBondContact OD2-OG1 2.9Å
275E91.9Very high92.7Very high127 Ų12765.7 Ų65.759%0.59334%0.336SS*.EExtended strand (participates in β ladder)trans-68.9138.6170.5-66.4177.9170.100111P196 K268P196-E275 WeakPolarHBondContact CD-O 3.4Å; K268-E275 CarbonylContact O-C 3.51Å; K268-E275 WeakPolarHBondContact O-CA 3.37Å
276Y91.3Very high92.6Very high57 Ų5766.3 Ų66.322%0.22434%0.339CS..EExtended strand (participates in β ladder)trans-146.5158.4175.470-87.7000111.8P196 Y198 K268 A270 L278P196-Y276 WeakPolarHBondContact O-CA 3.4Å; P196-Y276 WeakPolarHBondContact O-CB 3.44Å; Y198-Y276 AromaticContact CD2-CD2 3.65Å; Y198-Y276 HydrophobicContact CD2-CD2 3.65Å; Y198-Y276 HydrophobicContact CD2-CE2 4.44Å; Y198-Y276 HydrophobicContact CD2-CG 4.06Å; Y198-Y276 HydrophobicContact CE2-CD2 4.21Å; Y198-Y276 HydrophobicContact CE2-CG 4.17Å; K268-Y276 HydrophobicContact CB-CD1 3.89Å; K268-Y276 HydrophobicContact CB-CD2 3.93Å; K268-Y276 HydrophobicContact CB-CE1 3.47Å; K268-Y276 VanDerWaalsContact CB-CE1 3.47Å; K268-Y276 HydrophobicContact CB-CE2 3.53Å; K268-Y276 HydrophobicContact CB-CG 4.11Å; K268-Y276 HydrophobicContact CG-CE2 3.87Å; K268-Y276 PolarHBondContact N-O 3.39Å; K268-Y276 PolarHBondContact O-N 2.85Å; A270-Y276 HydrophobicContact CB-CD1 4.05Å; A270-Y276 HydrophobicContact CB-CE1 3.9Å; Y276-L278 HydrophobicContact CD2-CB 4.47Å; Y276-L278 HydrophobicContact CE2-CB 4.14Å
277I93Very high92.8Very high44 Ų4466.2 Ų66.223%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-103.1128.2174.4-65.7168.3000108.8T195 P196 I197 Y198 H265 Q279T195-I277 HydrophobicContact CG2-CD1 4.31Å; T195-I277 HydrophobicContact CG2-CG1 4.02Å; P196-I277 PolarHBondContact O-N 3.36Å; I197-I277 WeakPolarHBondContact CA-O 3.38Å; I197-I277 HydrophobicContact CG1-CB 4.34Å; I197-I277 HydrophobicContact CG2-CG2 4.43Å; Y198-I277 PolarHBondContact N-O 2.71Å; H265-I277 HydrophobicContact CB-CG2 3.79Å; I277-Q279 HydrophobicContact CG2-CG 4.41Å
278L93.4Very high92.9Very high32 Ų3263.5 Ų63.517%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-105.3108.7174.9-174.661.6000109.7Y198 A200 E266 K268 Y276 H280Y198-L278 CarbonylContact O-C 3.55Å; Y198-L278 WeakPolarHBondContact O-CA 3.25Å; A200-L278 HydrophobicContact CB-CD1 3.83Å; A200-L278 HydrophobicContact CB-CG 3.98Å; E266-L278 HydrophobicContact CB-CB 4.39Å; E266-L278 PolarHBondContact N-O 2.91Å; E266-L278 PolarHBondContact O-N 2.78Å; K268-L278 HydrophobicContact CG-CB 4.06Å; K268-L278 HydrophobicContact CG-CD2 4.38Å; Y276-L278 HydrophobicContact CD2-CB 4.47Å; Y276-L278 HydrophobicContact CE2-CB 4.14Å; L278-H280 PolarHBondContact O-CD2 2.75Å; L278-H280 VanDerWaalsContact O-CD2 3.32Å
279Q93.8Very high93.1Very high29 Ų2960.9 Ų60.914%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-83.8116.5179.4-73.6-170.1-13.100111.7I197 Y198 A200 V263 V264 H265 I277I197-Q279 HydrophobicContact CG2-CG 3.7Å; Y198-Q279 PolarHBondContact O-N 3.45Å; A200-Q279 VanDerWaalsContact CB-O 3.24Å; A200-Q279 WeakPolarHBondContact CB-O 3.42Å; A200-Q279 PolarHBondContact N-O 2.96Å; V263-Q279 HydrophobicContact CG1-CB 4.23Å; V263-Q279 HydrophobicContact CG1-CG 4.27Å; V264-Q279 WeakPolarHBondContact O-CA 3.43Å; H265-Q279 PolarHBondContact CE1-NE2 3.03Å; H265-Q279 VanDerWaalsContact CE1-NE2 3.28Å; H265-Q279 PolarHBondContact ND1-NE2 2.85Å; I277-Q279 HydrophobicContact CG2-CG 4.41Å
280H94.3Very high93.1Very high19 Ų1958.4 Ų58.49%0.08830%0.302CS..EExtended strand (participates in β ladder)trans-100.2115.9170.5-55.3-110.3000109A200 V263 V264 E266 L278 Y282 L542 R546A200-H280 HydrophobicContact CB-CB 4.46Å; V263-H280 WeakPolarHBondContact CA-O 3.49Å; V264-H280 HydrophobicContact CB-CB 4.48Å; V264-H280 PolarHBondContact N-O 3.45Å; V264-H280 PolarHBondContact O-N 2.94Å; E266-H280 IonicContact OE2-CD2 3.61Å; E266-H280 IonicContact OE2-CE1 3.46Å; E266-H280 PolarHBondContact OE2-CE1 3.37Å; E266-H280 IonicContact OE2-NE2 2.68Å; E266-H280 PolarHBondContact OE2-NE2 2.79Å; L278-H280 PolarHBondContact O-CD2 2.75Å; L278-H280 VanDerWaalsContact O-CD2 3.32Å; H280-Y282 HydrophobicContact CB-CD2 4.42Å; H280-Y282 HydrophobicContact CB-CE2 3.52Å; H280-L542 HydrophobicContact CB-CD2 3.8Å; H280-R546 PolarHBondContact CE1-NH2 3.03Å
281R94.3Very high93.2Very high93 Ų9365.3 Ų65.335%0.35133%0.329SS..EExtended strand (participates in β ladder)trans-101.2136.5177.6-57.9-171.5-178.1138.211.2110.6E199 M261 V263E199-R281 VanDerWaalsContact CD-CZ 3.4Å; E199-R281 WeakPolarHBondContact OE1-CD 3.35Å; E199-R281 IonicContact OE1-CZ 3.19Å; E199-R281 IonicContact OE1-NE 2.66Å; E199-R281 IonicContact OE1-NH1 3.45Å; E199-R281 PolarHBondContact OE1-NH1 2.81Å; E199-R281 IonicContact OE2-CZ 3.85Å; E199-R281 VanDerWaalsContact OE2-CZ 3.28Å; E199-R281 IonicContact OE2-NH1 2.71Å; E199-R281 PolarHBondContact OE2-NH1 2.87Å; E199-R281 IonicContact OE2-NH2 3.31Å; E199-R281 PolarHBondContact OE2-NH2 2.62Å; M261-R281 HydrophobicContact SD-CB 4.15Å; M261-R281 HydrophobicContact SD-CG 4.28Å; V263-R281 HydrophobicContact CG1-CG 4.2Å; V263-R281 HydrophobicContact CG2-CG 4.11Å
282Y93.9Very high93.3Very high15 Ų1558.9 Ų58.96%0.05929%0.29CS..EExtended strand (participates in β ladder)trans-137.1142.1-180-57.7-91.7000110.4M261 A262 V264 H280 F284 L542 L545 R546 D549M261-Y282 WeakPolarHBondContact CA-O 3.4Å; A262-Y282 PolarHBondContact N-O 3.04Å; A262-Y282 PolarHBondContact O-N 3.13Å; V264-Y282 HydrophobicContact CG2-CE2 4.48Å; H280-Y282 HydrophobicContact CB-CD2 4.42Å; H280-Y282 HydrophobicContact CB-CE2 3.52Å; Y282-F284 HydrophobicContact CG-CE2 4.33Å; Y282-F284 HydrophobicContact CG-CZ 4.46Å; Y282-L542 HydrophobicContact CE2-CD2 4.16Å; Y282-L542 WeakPolarHBondContact OH-CD2 3.45Å; Y282-L545 HydrophobicContact CD1-CB 4.19Å; Y282-L545 HydrophobicContact CD2-CB 3.99Å; Y282-L545 HydrophobicContact CD2-CD1 3.64Å; Y282-L545 HydrophobicContact CD2-CG 4.42Å; Y282-L545 HydrophobicContact CE1-CB 4.14Å; Y282-L545 HydrophobicContact CE2-CB 3.94Å; Y282-L545 HydrophobicContact CE2-CD1 3.81Å; Y282-L545 HydrophobicContact CG-CB 4.12Å; Y282-L545 HydrophobicContact CG-CD1 4.38Å; Y282-R546 HydrophobicContact CE1-CG 3.93Å; Y282-R546 WeakPolarHBondContact OH-CG 3.28Å; Y282-R546 PolarHBondContact OH-NE 3.33Å; Y282-D549 HydrophobicContact CD1-CB 4.2Å
283H93.6Very high93.4Very high113 Ų11356 Ų5652%0.52328%0.279SS..EExtended strand (participates in β ladder)trans-121.9104.5-173-66.1-77.7000113.1C260 M261 K552C260-H283 CarbonylContact O-C 3.56Å; C260-H283 WeakPolarHBondContact O-CA 3.3Å; M261-H283 PolarHBondContact SD-CE1 2.79Å; H283-K552 WeakPolarHBondContact O-CD 3.48Å; H283-K552 VanDerWaalsContact O-CE 3.3Å; H283-K552 WeakPolarHBondContact O-CE 3.27Å; H283-K552 PolarHBondContact O-NZ 3.46Å
284F93.9Very high93.5Very high5 Ų550.1 Ų50.12%0.02225%0.248CC..  trans-96.9-179.9-175.3-64.8-74.4000112.5V233 V235 C260 Y282 Q286 V287 L545 A548 D549 K552V233-F284 HydrophobicContact CB-CD1 4.46Å; V233-F284 HydrophobicContact CG1-CD1 3.87Å; V233-F284 HydrophobicContact CG1-CE1 4.21Å; V235-F284 HydrophobicContact CB-CD2 4.02Å; V235-F284 HydrophobicContact CB-CE2 4.44Å; V235-F284 HydrophobicContact CB-CG 4.32Å; V235-F284 HydrophobicContact CG2-CB 4.47Å; V235-F284 HydrophobicContact CG2-CD1 3.95Å; V235-F284 HydrophobicContact CG2-CD2 3.35Å; V235-F284 HydrophobicContact CG2-CE1 4.04Å; V235-F284 HydrophobicContact CG2-CE2 3.43Å; V235-F284 VanDerWaalsContact CG2-CE2 3.43Å; V235-F284 HydrophobicContact CG2-CG 3.61Å; V235-F284 HydrophobicContact CG2-CZ 3.8Å; C260-F284 WeakPolarHBondContact CB-O 3.45Å; C260-F284 PolarHBondContact O-N 3.23Å; Y282-F284 HydrophobicContact CG-CE2 4.33Å; Y282-F284 HydrophobicContact CG-CZ 4.46Å; F284-Q286 WeakPolarHBondContact CB-O 3.42Å; F284-V287 HydrophobicContact CB-CG2 3.84Å; F284-V287 HydrophobicContact CD2-CG2 4Å; F284-V287 HydrophobicContact CG-CG2 4.39Å; F284-L545 HydrophobicContact CE2-CD2 3.81Å; F284-L545 HydrophobicContact CZ-CB 4.48Å; F284-L545 HydrophobicContact CZ-CD2 3.98Å; F284-A548 HydrophobicContact CD1-CB 4.44Å; F284-A548 HydrophobicContact CE1-CB 3.59Å; F284-A548 HydrophobicContact CZ-CB 4.1Å; F284-D549 HydrophobicContact CE1-CB 4.31Å; F284-D549 HydrophobicContact CZ-CB 4.31Å; F284-K552 HydrophobicContact CD1-CD 4.5Å; F284-K552 PolarHBondContact O-NZ 3.41Å
285D93.5Very high93.7Very high30 Ų3050.5 Ų50.516%0.1625%0.245CC..SBendtrans-78.4-35.1177-58.1-21.9000110.7Q229 S232 V233 C260 K552Q229-D285 PolarHBondContact NE2-OD1 3.14Å; Q229-D285 PolarHBondContact NE2-OD2 3.14Å; S232-D285 WeakPolarHBondContact CA-OD2 3.38Å; S232-D285 WeakPolarHBondContact OG-CB 3.46Å; S232-D285 PolarHBondContact OG-OD2 2.87Å; V233-D285 PolarHBondContact N-OD2 3.03Å; V233-D285 WeakPolarHBondContact O-CB 3.39Å; V233-D285 PolarHBondContact O-N 2.89Å; C260-D285 PolarHBondContact SG-O 3.1Å; D285-K552 WeakPolarHBondContact OD1-CD 3.15Å; D285-K552 WeakPolarHBondContact OD1-CE 3.48Å; D285-K552 IonicContact OD1-NZ 2.57Å; D285-K552 PolarHBondContact OD1-NZ 2.73Å
286Q94.9Very high93.8Very high55 Ų5548.6 Ų48.626%0.25724%0.237SC..EExtended strand (participates in β ladder)trans-139.9150163.6-59.1-74.9-88.200109.1C234 V235 F284 F288 K300C234-Q286 VanDerWaalsContact CA-O 3.26Å; C234-Q286 WeakPolarHBondContact CA-O 3.39Å; C234-Q286 HydrophobicContact CB-CB 4.16Å; V235-Q286 PolarHBondContact N-O 2.88Å; F284-Q286 WeakPolarHBondContact CB-O 3.42Å; Q286-F288 HydrophobicContact CB-CE1 4.31Å; Q286-F288 HydrophobicContact CB-CE2 4.1Å; Q286-F288 HydrophobicContact CB-CZ 3.76Å; Q286-F288 HydrophobicContact CG-CZ 4.31Å; Q286-K300 HydrophobicContact CG-CB 4.27Å; Q286-K300 VanDerWaalsContact OE1-CD 3.31Å
287V96.6Very high94Very high23 Ų2345.9 Ų45.914%0.13923%0.226CC..EExtended strand (participates in β ladder)trans-129.7122.7170.1-1800000108.5V235 T255 A262 F284V235-V287 HydrophobicContact CB-CG1 4.47Å; V235-V287 HydrophobicContact CB-CG2 4.4Å; V235-V287 HydrophobicContact CG1-CG1 4.39Å; V235-V287 WeakPolarHBondContact O-CA 3.39Å; T255-V287 HydrophobicContact CG2-CG1 3.51Å; A262-V287 HydrophobicContact CB-CG1 4.28Å; F284-V287 HydrophobicContact CB-CG2 3.84Å; F284-V287 HydrophobicContact CD2-CG2 4Å; F284-V287 HydrophobicContact CG-CG2 4.39Å
288F96.2Very high94.2Very high4 Ų443.9 Ų43.92%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-102.1129.1179.7-54.6-70.4000109.7C234 V235 R236 K237 Q286 E296 V297 K300 T301C234-F288 HydrophobicContact CB-CE2 3.87Å; V235-F288 VanDerWaalsContact O-CD2 3.27Å; V235-F288 WeakPolarHBondContact O-CD2 3.43Å; V235-F288 PolarHBondContact O-N 3.18Å; R236-F288 HydrophobicContact CB-CB 4.22Å; R236-F288 HydrophobicContact CB-CD2 4.31Å; R236-F288 HydrophobicContact CG-CB 4.04Å; K237-F288 PolarHBondContact N-O 2.83Å; Q286-F288 HydrophobicContact CB-CE1 4.31Å; Q286-F288 HydrophobicContact CB-CE2 4.1Å; Q286-F288 HydrophobicContact CB-CZ 3.76Å; Q286-F288 HydrophobicContact CG-CZ 4.31Å; F288-E296 HydrophobicContact CD1-CG 4.5Å; F288-E296 HydrophobicContact CE1-CG 4.42Å; F288-V297 HydrophobicContact CB-CG2 4.17Å; F288-V297 HydrophobicContact CD1-CG2 3.92Å; F288-V297 HydrophobicContact CD2-CG1 4.37Å; F288-V297 HydrophobicContact CD2-CG2 3.88Å; F288-V297 HydrophobicContact CE1-CG2 4.3Å; F288-V297 HydrophobicContact CE2-CB 4.47Å; F288-V297 HydrophobicContact CE2-CG1 4.15Å; F288-V297 HydrophobicContact CE2-CG2 4.25Å; F288-V297 HydrophobicContact CG-CG2 3.72Å; F288-V297 HydrophobicContact CZ-CG2 4.46Å; F288-K300 HydrophobicContact CE1-CB 3.88Å; F288-K300 HydrophobicContact CE1-CG 4.13Å; F288-K300 HydrophobicContact CZ-CB 3.63Å; F288-K300 HydrophobicContact CZ-CG 4.37Å; F288-T301 HydrophobicContact CE2-CG2 3.87Å; F288-T301 HydrophobicContact CZ-CG2 4.01Å
289G94.5Very high94.4Very high17 Ų1746.8 Ų46.818%0.17523%0.231CC..  trans-82.4-176.1177.300000112.6T255 E291 S292T255-G289 WeakPolarHBondContact OG1-CA 3.27Å; G289-E291 VanDerWaalsContact C-N 3.27Å; G289-E291 PolarHBondContact O-N 3.2Å; G289-S292 PolarHBondContact N-OG 3.22Å; G289-S292 WeakPolarHBondContact O-CB 3.46Å; G289-S292 PolarHBondContact O-N 2.9Å
290E91.8Very high94.4Very high74 Ų7450.9 Ų50.935%0.34625%0.248SC..THydrogen-bonded Turntrans-63.8-29.4177.959.9-127.5-105.800114.5K237 P239 S292K237-E290 WeakPolarHBondContact CD-OE2 3.36Å; K237-E290 VanDerWaalsContact CE-OE2 3.26Å; K237-E290 WeakPolarHBondContact CE-OE2 3.29Å; K237-E290 IonicContact NZ-OE1 2.66Å; K237-E290 IonicContact NZ-OE2 2.78Å; K237-E290 PolarHBondContact NZ-OE2 3.42Å; P239-E290 HydrophobicContact CB-CB 3.96Å; E290-S292 VanDerWaalsContact C-N 3.32Å
291E91.3Very high94.5Very high180 Ų18050.3 Ų50.384%0.84125%0.246SC*.THydrogen-bonded Turntrans-78.3-11.5178.4-56.4-57.6147.200113.6G289 S293G289-E291 VanDerWaalsContact C-N 3.27Å; G289-E291 PolarHBondContact O-N 3.2Å; E291-S293 PolarHBondContact O-N 3.23Å
292S92.8Very high94.6Very high18 Ų1845.9 Ų45.913%0.12623%0.229CC..  trans-72116.1-173.6-75.50000112.5R236 G289 E290 E296R236-S292 PolarHBondContact NH2-O 3.35Å; G289-S292 PolarHBondContact N-OG 3.22Å; G289-S292 WeakPolarHBondContact O-CB 3.46Å; G289-S292 PolarHBondContact O-N 2.9Å; E290-S292 VanDerWaalsContact C-N 3.32Å; S292-E296 VanDerWaalsContact CA-OE2 3.29Å; S292-E296 WeakPolarHBondContact CA-OE2 3.36Å; S292-E296 WeakPolarHBondContact CB-OE2 3.38Å; S292-E296 PolarHBondContact OG-OE2 2.84Å
293S93.6Very high94.8Very high50 Ų5049 Ų4935%0.3524%0.242SC..  trans-68.5167.7-17994.50000113E291 E295 E296 V297E291-S293 PolarHBondContact O-N 3.23Å; S293-E295 VanDerWaalsContact C-N 3.29Å; S293-E295 VanDerWaalsContact CB-OE2 3.3Å; S293-E295 WeakPolarHBondContact CB-OE2 3.15Å; S293-E295 PolarHBondContact O-N 3.3Å; S293-E295 PolarHBondContact OG-N 3.25Å; S293-E295 VanDerWaalsContact OG-N 3.14Å; S293-E295 PolarHBondContact OG-OE2 3.42Å; S293-E296 PolarHBondContact O-N 2.63Å; S293-E296 PolarHBondContact OG-N 3.36Å; S293-V297 VanDerWaalsContact O-CG2 3.32Å; S293-V297 WeakPolarHBondContact O-CG2 3.31Å; S293-V297 PolarHBondContact O-N 3.21Å
294N94.7Very high94.9Very high5 Ų546.5 Ų46.53%0.02724%0.235CC..Hα-helixtrans-66.9-30.3174.2-80.65.5000112.4R236 Y298 H329 T339 L344R236-N294 VanDerWaalsContact CZ-OD1 3.29Å; R236-N294 PolarHBondContact NH1-OD1 3.36Å; R236-N294 PolarHBondContact NH2-OD1 2.91Å; N294-Y298 WeakPolarHBondContact O-CB 3.49Å; N294-Y298 PolarHBondContact O-N 2.92Å; N294-H329 PolarHBondContact ND2-O 3.41Å; N294-H329 VanDerWaalsContact ND2-O 3.13Å; N294-T339 WeakPolarHBondContact CB-O 3.3Å; N294-T339 PolarHBondContact ND2-O 3.33Å; N294-L344 HydrophobicContact CB-CD1 4.44Å
295E94.7Very high95Very high70 Ų7046.7 Ų46.733%0.32724%0.236SC..Hα-helixtrans-66.3-45.3174.4-60.872.9-159.200111.8S293 Y298 L299 L344S293-E295 VanDerWaalsContact C-N 3.29Å; S293-E295 VanDerWaalsContact CB-OE2 3.3Å; S293-E295 WeakPolarHBondContact CB-OE2 3.15Å; S293-E295 PolarHBondContact O-N 3.3Å; S293-E295 PolarHBondContact OG-N 3.25Å; S293-E295 VanDerWaalsContact OG-N 3.14Å; S293-E295 PolarHBondContact OG-OE2 3.42Å; E295-Y298 PolarHBondContact O-N 2.71Å; E295-L299 WeakPolarHBondContact O-CB 3.5Å; E295-L299 VanDerWaalsContact O-CG 3.28Å; E295-L299 WeakPolarHBondContact O-CG 3.47Å; E295-L299 PolarHBondContact O-N 3.42Å; E295-L344 HydrophobicContact CG-CD1 4.39Å; E295-L344 HydrophobicContact CG-CD2 4.21Å
296E94.6Very high95.1Very high88 Ų8845.3 Ų45.341%0.41123%0.229SC..Hα-helixtrans-60-49.5176.9-176.3-176.8-148.900110.8F288 S292 S293 Y298 L299 K300F288-E296 HydrophobicContact CD1-CG 4.5Å; F288-E296 HydrophobicContact CE1-CG 4.42Å; S292-E296 VanDerWaalsContact CA-OE2 3.29Å; S292-E296 WeakPolarHBondContact CA-OE2 3.36Å; S292-E296 WeakPolarHBondContact CB-OE2 3.38Å; S292-E296 PolarHBondContact OG-OE2 2.84Å; S293-E296 PolarHBondContact O-N 2.63Å; S293-E296 PolarHBondContact OG-N 3.36Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.17Å; E296-L299 PolarHBondContact O-N 2.68Å; E296-K300 WeakPolarHBondContact O-CG 3.11Å; E296-K300 PolarHBondContact O-N 3.27Å
297V95.7Very high95.1Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-57.8-47.4176.4175.30000110.4F288 S293 K300 T301 T330 L341 I528F288-V297 HydrophobicContact CB-CG2 4.17Å; F288-V297 HydrophobicContact CD1-CG2 3.92Å; F288-V297 HydrophobicContact CD2-CG1 4.37Å; F288-V297 HydrophobicContact CD2-CG2 3.88Å; F288-V297 HydrophobicContact CE1-CG2 4.3Å; F288-V297 HydrophobicContact CE2-CB 4.47Å; F288-V297 HydrophobicContact CE2-CG1 4.15Å; F288-V297 HydrophobicContact CE2-CG2 4.25Å; F288-V297 HydrophobicContact CG-CG2 3.72Å; F288-V297 HydrophobicContact CZ-CG2 4.46Å; S293-V297 VanDerWaalsContact O-CG2 3.32Å; S293-V297 WeakPolarHBondContact O-CG2 3.31Å; S293-V297 PolarHBondContact O-N 3.21Å; V297-K300 PolarHBondContact O-N 3.49Å; V297-T301 HydrophobicContact CG1-CG2 4.41Å; V297-T301 WeakPolarHBondContact O-CB 3.48Å; V297-T301 WeakPolarHBondContact O-CG2 3.13Å; V297-T301 PolarHBondContact O-N 3.01Å; V297-T301 PolarHBondContact O-OG1 3.38Å; V297-T330 HydrophobicContact CG1-CG2 4.06Å; V297-L341 HydrophobicContact CG1-CD1 4.27Å; V297-I528 HydrophobicContact CG1-CD1 4.07Å
298Y97.1Very high95Very high1 Ų147 Ų470%0.00424%0.235CC..Hα-helixtrans-58.4-50.7179.1167.5-96.1000112.5N294 E295 E296 K300 T301 A302 Y303 L341 L344 A345 D348N294-Y298 WeakPolarHBondContact O-CB 3.49Å; N294-Y298 PolarHBondContact O-N 2.92Å; E295-Y298 PolarHBondContact O-N 2.71Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.17Å; Y298-K300 PolarHBondContact O-N 3.25Å; Y298-T301 PolarHBondContact O-N 3.1Å; Y298-T301 VanDerWaalsContact O-N 3.15Å; Y298-A302 HydrophobicContact CD2-CB 3.72Å; Y298-A302 HydrophobicContact CE2-CB 3.91Å; Y298-A302 PolarHBondContact O-N 3.38Å; Y298-Y303 AromaticContact CE1-CD2 3.9Å; Y298-Y303 HydrophobicContact CE1-CD2 3.9Å; Y298-Y303 HydrophobicContact CE1-CG 4.3Å; Y298-Y303 PolarHBondContact O-N 2.87Å; Y298-L341 HydrophobicContact CD2-CG 4.21Å; Y298-L344 HydrophobicContact CD1-CB 3.97Å; Y298-L344 HydrophobicContact CD1-CD1 4.38Å; Y298-L344 HydrophobicContact CD2-CB 3.66Å; Y298-L344 HydrophobicContact CD2-CD1 4.44Å; Y298-L344 HydrophobicContact CE1-CB 4.21Å; Y298-L344 HydrophobicContact CE2-CB 3.95Å; Y298-L344 HydrophobicContact CG-CB 3.71Å; Y298-L344 HydrophobicContact CG-CD1 3.9Å; Y298-L344 HydrophobicContact CG-CG 4.43Å; Y298-A345 HydrophobicContact CE2-CB 3.94Å; Y298-D348 VanDerWaalsContact CE1-OD2 3.3Å; Y298-D348 WeakPolarHBondContact CE1-OD2 3.46Å; Y298-D348 PolarHBondContact OH-OD2 2.97Å; Y298-D348 VanDerWaalsContact OH-OD2 3.11Å
299L96.3Very high94.9Very high94 Ų9446.8 Ų46.849%0.49224%0.235SC..Hα-helixtrans-58.8-31.1-178.8-74.3169.9000112.6E295 E296 Y303E295-L299 WeakPolarHBondContact O-CB 3.5Å; E295-L299 VanDerWaalsContact O-CG 3.28Å; E295-L299 WeakPolarHBondContact O-CG 3.47Å; E295-L299 PolarHBondContact O-N 3.42Å; E296-L299 PolarHBondContact O-N 2.68Å; L299-Y303 HydrophobicContact CD2-CG 4.47Å
300K94.9Very high94.9Very high115 Ų11547.5 Ų47.550%0.523%0.234SC..Hα-helixtrans-95.8-6.4-178.5-66-62.3-165.8170.40114.7Q286 F288 E296 V297 Y298Q286-K300 HydrophobicContact CG-CB 4.27Å; Q286-K300 VanDerWaalsContact OE1-CD 3.31Å; F288-K300 HydrophobicContact CE1-CB 3.88Å; F288-K300 HydrophobicContact CE1-CG 4.13Å; F288-K300 HydrophobicContact CZ-CB 3.63Å; F288-K300 HydrophobicContact CZ-CG 4.37Å; E296-K300 WeakPolarHBondContact O-CG 3.11Å; E296-K300 PolarHBondContact O-N 3.27Å; V297-K300 PolarHBondContact O-N 3.49Å; Y298-K300 PolarHBondContact O-N 3.25Å
301T95.9Very high94.9Very high6 Ų649 Ų494%0.03725%0.253CS..Hα-helixtrans-129.8-64.5-175.359.10000113.1C234 F288 V297 Y298 I528C234-T301 HydrophobicContact CB-CG2 4.08Å; F288-T301 HydrophobicContact CE2-CG2 3.87Å; F288-T301 HydrophobicContact CZ-CG2 4.01Å; V297-T301 HydrophobicContact CG1-CG2 4.41Å; V297-T301 WeakPolarHBondContact O-CB 3.48Å; V297-T301 WeakPolarHBondContact O-CG2 3.13Å; V297-T301 PolarHBondContact O-N 3.01Å; V297-T301 PolarHBondContact O-OG1 3.38Å; Y298-T301 PolarHBondContact O-N 3.1Å; Y298-T301 VanDerWaalsContact O-N 3.15Å; T301-I528 HydrophobicContact CG2-CD1 4.08Å; T301-I528 HydrophobicContact CG2-CG1 4.09Å
302A96.5Very high94.9Very high0 Ų042.6 Ų42.60%024%0.235CC..THydrogen-bonded Turntrans-90-23-172.500000113.6Y298 L305 V306 L341 F457Y298-A302 HydrophobicContact CD2-CB 3.72Å; Y298-A302 HydrophobicContact CE2-CB 3.91Å; Y298-A302 PolarHBondContact O-N 3.38Å; A302-L305 WeakPolarHBondContact O-CB 3.4Å; A302-L305 PolarHBondContact O-N 3.48Å; A302-V306 WeakPolarHBondContact O-CG2 3.38Å; A302-V306 PolarHBondContact O-N 3.08Å; A302-L341 HydrophobicContact CB-CD2 4.11Å; A302-L341 HydrophobicContact CB-CG 4.27Å; A302-F457 HydrophobicContact CB-CE1 3.86Å; A302-F457 HydrophobicContact CB-CZ 4.31Å
303Y96.9Very high94.8Very high82 Ų8242 Ų4232%0.32223%0.232SC..Hα-helixtrans-61.7-47.3177.3178.4-97000113.2Y298 L299 L305 V306 Q307 D348Y298-Y303 AromaticContact CE1-CD2 3.9Å; Y298-Y303 HydrophobicContact CE1-CD2 3.9Å; Y298-Y303 HydrophobicContact CE1-CG 4.3Å; Y298-Y303 PolarHBondContact O-N 2.87Å; L299-Y303 HydrophobicContact CD2-CG 4.47Å; Y303-L305 PolarHBondContact O-N 2.73Å; Y303-V306 PolarHBondContact O-N 3.16Å; Y303-V306 VanDerWaalsContact O-N 3.13Å; Y303-Q307 HydrophobicContact CD1-CG 4.43Å; Y303-Q307 VanDerWaalsContact CE1-CD 3.4Å; Y303-Q307 HydrophobicContact CE1-CG 4.04Å; Y303-Q307 VanDerWaalsContact CE1-NE2 3.26Å; Y303-Q307 PolarHBondContact O-N 3.4Å; Y303-Q307 PolarHBondContact OH-NE2 3.41Å; Y303-D348 WeakPolarHBondContact CD2-OD2 3.3Å
304P95.8Very high94.8Very high59 Ų5943.2 Ų43.238%0.38323%0.231SC..Hα-helixtrans-61.6-29.6173.5-23.935.2000113.8H308P304-H308 PolarHBondContact O-N 2.92Å
305L96.2Very high94.8Very high9 Ų943 Ų435%0.04723%0.23CC..Hα-helixtrans-70.9-39.5175.1-66.2-171.5000112A302 Y303 H308 M309 A315 T316 C317 I455 K524 C526A302-L305 WeakPolarHBondContact O-CB 3.4Å; A302-L305 PolarHBondContact O-N 3.48Å; Y303-L305 PolarHBondContact O-N 2.73Å; L305-H308 PolarHBondContact O-N 3.22Å; L305-M309 WeakPolarHBondContact O-CB 3.01Å; L305-M309 PolarHBondContact O-N 3.21Å; L305-A315 HydrophobicContact CB-CB 3.83Å; L305-A315 HydrophobicContact CD2-CB 4.12Å; L305-A315 HydrophobicContact CG-CB 4.39Å; L305-T316 WeakPolarHBondContact CD1-O 3.46Å; L305-C317 HydrophobicContact CD1-CB 3.91Å; L305-I455 HydrophobicContact CB-CD1 3.71Å; L305-K524 HydrophobicContact CD2-CB 3.65Å; L305-K524 WeakPolarHBondContact CD2-O 2.94Å; L305-C526 HydrophobicContact CD1-CB 3.72Å; L305-C526 HydrophobicContact CG-CB 4.39Å
306V96.6Very high94.8Very high2 Ų239.8 Ų39.81%0.01221%0.214CC..Hα-helixtrans-64.2-42.8172.6167.20000110.8A302 Y303 M309 L310 A345 I349 I455A302-V306 WeakPolarHBondContact O-CG2 3.38Å; A302-V306 PolarHBondContact O-N 3.08Å; Y303-V306 PolarHBondContact O-N 3.16Å; Y303-V306 VanDerWaalsContact O-N 3.13Å; V306-M309 WeakPolarHBondContact O-CB 3.25Å; V306-M309 PolarHBondContact O-N 3.13Å; V306-L310 HydrophobicContact CG1-CD1 3.71Å; V306-L310 WeakPolarHBondContact O-CD1 3.47Å; V306-L310 VanDerWaalsContact O-CG 3.32Å; V306-L310 WeakPolarHBondContact O-CG 3.47Å; V306-L310 PolarHBondContact O-N 3.04Å; V306-A345 HydrophobicContact CG2-CB 3.74Å; V306-I349 HydrophobicContact CG1-CD1 4.47Å; V306-I349 HydrophobicContact CG1-CG1 3.73Å; V306-I455 HydrophobicContact CG2-CD1 4.2Å
307Q95.1Very high94.9Very high90 Ų9035.6 Ų35.642%0.42120%0.195SC..Hα-helixtrans-58.6-49.5174.1-69.6-179.3-45.600112Y303 M309 L310 S311Y303-Q307 HydrophobicContact CD1-CG 4.43Å; Y303-Q307 VanDerWaalsContact CE1-CD 3.4Å; Y303-Q307 HydrophobicContact CE1-CG 4.04Å; Y303-Q307 VanDerWaalsContact CE1-NE2 3.26Å; Y303-Q307 PolarHBondContact O-N 3.4Å; Y303-Q307 PolarHBondContact OH-NE2 3.41Å; Q307-M309 VanDerWaalsContact C-N 3.32Å; Q307-M309 PolarHBondContact O-N 3.32Å; Q307-L310 PolarHBondContact O-N 2.69Å; Q307-L310 VanDerWaalsContact O-N 3.13Å; Q307-S311 PolarHBondContact O-N 3.02Å; Q307-S311 PolarHBondContact O-OG 3.01Å; Q307-S311 VanDerWaalsContact O-OG 3.13Å
308H94.4Very high94.8Very high23 Ų2336 Ų3611%0.10620%0.197CC..Hα-helixtrans-61.4-38.417717562.6000112.4P304 L305 S311 G312 G313 K314 D522 K524P304-H308 PolarHBondContact O-N 2.92Å; L305-H308 PolarHBondContact O-N 3.22Å; H308-S311 PolarHBondContact O-N 3.28Å; H308-G312 PolarHBondContact O-N 2.95Å; H308-G313 WeakPolarHBondContact O-CA 3.46Å; H308-G313 PolarHBondContact O-N 2.9Å; H308-K314 PolarHBondContact CD2-O 3.04Å; H308-K314 PolarHBondContact NE2-O 2.82Å; H308-K314 VanDerWaalsContact NE2-O 3.09Å; H308-D522 IonicContact CE1-OD1 2.86Å; H308-D522 IonicContact CE1-OD2 3.51Å; H308-D522 IonicContact NE2-OD1 2.77Å; H308-K524 HydrophobicContact CB-CD 4.13Å
309M94.7Very high94.8Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-62.1-41.7173.1-172.2-163.859.100112.4L305 V306 Q307 S311 G312 I349 L444 R454 I455L305-M309 WeakPolarHBondContact O-CB 3.01Å; L305-M309 PolarHBondContact O-N 3.21Å; V306-M309 WeakPolarHBondContact O-CB 3.25Å; V306-M309 PolarHBondContact O-N 3.13Å; Q307-M309 VanDerWaalsContact C-N 3.32Å; Q307-M309 PolarHBondContact O-N 3.32Å; M309-S311 VanDerWaalsContact C-N 3.27Å; M309-S311 PolarHBondContact O-N 3.43Å; M309-G312 PolarHBondContact O-N 3.43Å; M309-I349 HydrophobicContact CE-CD1 3.46Å; M309-I349 VanDerWaalsContact CE-CD1 3.46Å; M309-I349 HydrophobicContact CE-CG1 3.68Å; M309-L444 HydrophobicContact CE-CD1 3.81Å; M309-L444 HydrophobicContact CE-CD2 4.2Å; M309-L444 HydrophobicContact CE-CG 3.86Å; M309-L444 HydrophobicContact CG-CD1 4.5Å; M309-L444 HydrophobicContact SD-CD1 4.5Å; M309-L444 HydrophobicContact SD-CG 4.22Å; M309-R454 VanDerWaalsContact CG-N 3.34Å; M309-I455 HydrophobicContact CE-CG2 4.37Å; M309-I455 HydrophobicContact CG-CB 4.46Å; M309-I455 HydrophobicContact SD-CB 3.78Å; M309-I455 HydrophobicContact SD-CG2 3.52Å; M309-I455 VanDerWaalsContact SD-CG2 3.52Å; M309-I455 PolarHBondContact SD-N 3.03Å; M309-I455 VanDerWaalsContact SD-N 3.39Å
310L93.8Very high94.7Very high32 Ų3231.9 Ų31.917%0.16818%0.175CC..Hα-helixtrans-67.1-28.5177.1-72157.7000112.1V306 Q307 G312 H352 L444V306-L310 HydrophobicContact CG1-CD1 3.71Å; V306-L310 WeakPolarHBondContact O-CD1 3.47Å; V306-L310 VanDerWaalsContact O-CG 3.32Å; V306-L310 WeakPolarHBondContact O-CG 3.47Å; V306-L310 PolarHBondContact O-N 3.04Å; Q307-L310 PolarHBondContact O-N 2.69Å; Q307-L310 VanDerWaalsContact O-N 3.13Å; L310-G312 PolarHBondContact O-N 3.04Å; L310-H352 HydrophobicContact CD1-CB 3.82Å; L310-H352 HydrophobicContact CD2-CB 4.13Å; L310-L444 HydrophobicContact CD2-CD1 3.8Å; L310-L444 HydrophobicContact CG-CD1 4.43Å
311S92.1Very high94.6Very high106 Ų10626.4 Ų26.474%0.74115%0.151SC*.THydrogen-bonded Turntrans-75.21.6168.5-49.30000114.5Q307 H308 M309Q307-S311 PolarHBondContact O-N 3.02Å; Q307-S311 PolarHBondContact O-OG 3.01Å; Q307-S311 VanDerWaalsContact O-OG 3.13Å; H308-S311 PolarHBondContact O-N 3.28Å; M309-S311 VanDerWaalsContact C-N 3.27Å; M309-S311 PolarHBondContact O-N 3.43Å
312G90.8Very high94.3Very high44 Ų4427.3 Ų27.345%0.45416%0.155SC..THydrogen-bonded Turntrans96.94179.500000115.6H308 M309 L310 A452H308-G312 PolarHBondContact O-N 2.95Å; M309-G312 PolarHBondContact O-N 3.43Å; L310-G312 PolarHBondContact O-N 3.04Å; G312-A452 CarbonylContact C-O 3.6Å; G312-A452 WeakPolarHBondContact CA-O 3.31Å
313G91.3Very high94Very high6 Ų629.6 Ų29.66%0.06217%0.169CC..  trans-77.3175.2-177.400000115.3H308 R454H308-G313 WeakPolarHBondContact O-CA 3.46Å; H308-G313 PolarHBondContact O-N 2.9Å; G313-R454 PolarHBondContact O-N 3.33Å
314K92.4Very high93.5Very high76 Ų7628.2 Ų28.233%0.3318%0.179SC..EExtended strand (participates in β ladder)trans-103.1136.3167.8-64.2-179.1-169.7175.70109.5H308 R454 D517 S523 K524H308-K314 PolarHBondContact CD2-O 3.04Å; H308-K314 PolarHBondContact NE2-O 2.82Å; H308-K314 VanDerWaalsContact NE2-O 3.09Å; K314-R454 CarbonylContact C-O 3.58Å; K314-R454 WeakPolarHBondContact CA-O 3.29Å; K314-D517 IonicContact NZ-OD2 3.45Å; K314-D517 PolarHBondContact NZ-OD2 3.29Å; K314-S523 CarbonylContact O-C 3.44Å; K314-S523 WeakPolarHBondContact O-CA 3.46Å; K314-S523 PolarHBondContact O-OG 3Å; K314-K524 PolarHBondContact O-N 3.46Å
315A95Very high93.3Very high1 Ų125.4 Ų25.41%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-134.3155.2177.700000113.1L305 R454 I455 W456 K524L305-A315 HydrophobicContact CB-CB 3.83Å; L305-A315 HydrophobicContact CD2-CB 4.12Å; L305-A315 HydrophobicContact CG-CB 4.39Å; A315-R454 PolarHBondContact N-O 2.89Å; A315-I455 HydrophobicContact CB-CB 4.14Å; A315-I455 HydrophobicContact CB-CD1 4.04Å; A315-I455 HydrophobicContact CB-CG1 3.8Å; A315-I455 WeakPolarHBondContact O-CA 3.35Å; A315-W456 PolarHBondContact O-N 2.82Å; A315-K524 CarbonylContact C-O 3.56Å; A315-K524 VanDerWaalsContact CA-O 3.25Å; A315-K524 WeakPolarHBondContact CA-O 3.24Å
316T95.6Very high93.1Very high1 Ų126 Ų261%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-146.3130.2175-62.60000112.1L305 F318 W456 V458 L515 S518 K524 T525 C526L305-T316 WeakPolarHBondContact CD1-O 3.46Å; T316-F318 HydrophobicContact CG2-CD2 4.11Å; T316-F318 HydrophobicContact CG2-CE1 3.99Å; T316-F318 HydrophobicContact CG2-CE2 3.52Å; T316-F318 HydrophobicContact CG2-CZ 3.45Å; T316-F318 VanDerWaalsContact CG2-CZ 3.45Å; T316-W456 CarbonylContact C-O 3.26Å; T316-W456 WeakPolarHBondContact CA-O 3.44Å; T316-W456 HydrophobicContact CG2-CB 4.01Å; T316-V458 HydrophobicContact CG2-CG2 4.24Å; T316-L515 HydrophobicContact CG2-CD2 4.3Å; T316-S518 VanDerWaalsContact OG1-CB 3.23Å; T316-S518 WeakPolarHBondContact OG1-CB 3.19Å; T316-S518 PolarHBondContact OG1-OG 2.88Å; T316-K524 PolarHBondContact N-O 3.28Å; T316-T525 CarbonylContact O-C 3.45Å; T316-T525 VanDerWaalsContact O-CA 3.31Å; T316-T525 WeakPolarHBondContact O-CA 3.29Å; T316-C526 PolarHBondContact O-N 3.03Å
317C96.4Very high93Very high0 Ų026.5 Ų26.50%017%0.171CC..EExtended strand (participates in β ladder)trans-116.5120.5176-168.30000110.3L305 M331 W456 F457 V458 C526L305-C317 HydrophobicContact CD1-CB 3.91Å; C317-M331 HydrophobicContact CB-CE 4.43Å; C317-M331 WeakPolarHBondContact O-CE 3.43Å; C317-W456 PolarHBondContact N-O 3.33Å; C317-F457 HydrophobicContact CB-CD1 3.65Å; C317-F457 HydrophobicContact CB-CE1 3.93Å; C317-F457 HydrophobicContact CB-CG 4.42Å; C317-F457 WeakPolarHBondContact O-CA 3.35Å; C317-V458 PolarHBondContact O-N 2.84Å; C317-C526 CarbonylContact C-O 3.56Å; C317-C526 WeakPolarHBondContact CA-O 3.37Å
318F93.8Very high92.7Very high9 Ų924.2 Ų24.24%0.03916%0.163CC..EExtended strand (participates in β ladder)trans-100.2140.8176.9-64.8-75.8000111.8T316 V458 L460 L515 F519 T525 C526 M527 I528T316-F318 HydrophobicContact CG2-CD2 4.11Å; T316-F318 HydrophobicContact CG2-CE1 3.99Å; T316-F318 HydrophobicContact CG2-CE2 3.52Å; T316-F318 HydrophobicContact CG2-CZ 3.45Å; T316-F318 VanDerWaalsContact CG2-CZ 3.45Å; F318-V458 HydrophobicContact CD1-CB 3.64Å; F318-V458 HydrophobicContact CD1-CG1 3.83Å; F318-V458 HydrophobicContact CD1-CG2 4.04Å; F318-V458 HydrophobicContact CE1-CB 3.95Å; F318-V458 HydrophobicContact CE1-CG1 4.01Å; F318-V458 HydrophobicContact CE1-CG2 3.87Å; F318-L460 HydrophobicContact CD1-CD1 4.38Å; F318-L515 HydrophobicContact CE1-CD1 3.54Å; F318-L515 HydrophobicContact CE1-CD2 4.11Å; F318-L515 HydrophobicContact CE1-CG 4.43Å; F318-L515 HydrophobicContact CZ-CD1 3.87Å; F318-L515 HydrophobicContact CZ-CD2 4.14Å; F318-L515 HydrophobicContact CZ-CG 4.49Å; F318-F519 HydrophobicContact CE2-CE1 4.19Å; F318-F519 HydrophobicContact CE2-CE2 4.47Å; F318-F519 AromaticContact CE2-CZ 3.66Å; F318-F519 HydrophobicContact CE2-CZ 3.66Å; F318-F519 HydrophobicContact CZ-CE2 4.03Å; F318-F519 AromaticContact CZ-CZ 3.62Å; F318-F519 HydrophobicContact CZ-CZ 3.62Å; F318-T525 HydrophobicContact CD2-CG2 3.81Å; F318-T525 HydrophobicContact CE2-CG2 3.61Å; F318-C526 PolarHBondContact N-O 3.29Å; F318-M527 HydrophobicContact CB-CG 4.47Å; F318-I528 WeakPolarHBondContact O-CB 3.41Å; F318-I528 PolarHBondContact O-N 3.41Å
319A95.7Very high92.6Very high0 Ų026.4 Ų26.40%017%0.174CC..EExtended strand (participates in β ladder)trans-107.9125.7156.200000108.9K327 M331 V458 L460 I528A319-K327 HydrophobicContact CB-CB 3.85Å; A319-K327 HydrophobicContact CB-CG 4.26Å; A319-M331 HydrophobicContact CB-CE 3.7Å; A319-M331 HydrophobicContact CB-CG 3.9Å; A319-V458 PolarHBondContact N-O 2.9Å; A319-L460 WeakPolarHBondContact O-CB 3.19Å; A319-L460 WeakPolarHBondContact O-CG 3.17Å; A319-L460 PolarHBondContact O-N 2.74Å; A319-I528 WeakPolarHBondContact CA-O 3.04Å
320Y94.8Very high92.6Very high8 Ų826.5 Ų26.53%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-132.8154.9-176.9175.6-93000111.5L460 L487 K491 M527 I528 N530 T544 Y547Y320-L460 HydrophobicContact CD2-CD1 3.87Å; Y320-L460 HydrophobicContact CG-CD1 4.46Å; Y320-L487 HydrophobicContact CD2-CD2 4.2Å; Y320-L487 HydrophobicContact CE2-CD1 4.26Å; Y320-L487 HydrophobicContact CE2-CD2 4.03Å; Y320-K491 PolarHBondContact OH-NZ 3.29Å; Y320-M527 HydrophobicContact CD1-CE 3.62Å; Y320-M527 HydrophobicContact CE1-CE 4.43Å; Y320-M527 HydrophobicContact CG-CE 3.85Å; Y320-I528 PolarHBondContact N-O 3Å; Y320-N530 PolarHBondContact O-N 2.9Å; Y320-T544 HydrophobicContact CD1-CG2 3.94Å; Y320-T544 HydrophobicContact CE1-CG2 3.89Å; Y320-Y547 AromaticContact CD1-CD1 3.82Å; Y320-Y547 HydrophobicContact CD1-CD1 3.82Å; Y320-Y547 HydrophobicContact CD1-CE1 4.3Å; Y320-Y547 HydrophobicContact CD2-CD1 4.33Å; Y320-Y547 HydrophobicContact CD2-CE1 4.14Å; Y320-Y547 AromaticContact CE1-CD1 3.38Å; Y320-Y547 HydrophobicContact CE1-CD1 3.38Å; Y320-Y547 HydrophobicContact CE1-CE1 4.15Å; Y320-Y547 HydrophobicContact CE1-CG 4.25Å; Y320-Y547 AromaticContact CE2-CD1 3.91Å; Y320-Y547 HydrophobicContact CE2-CD1 3.91Å; Y320-Y547 AromaticContact CE2-CE1 3.94Å; Y320-Y547 HydrophobicContact CE2-CE1 3.94Å; Y320-Y547 HydrophobicContact CG-CD1 4.28Å; Y320-Y547 HydrophobicContact CG-CE1 4.31Å; Y320-Y547 AromaticContact CZ-CD1 3.42Å; Y320-Y547 VanDerWaalsContact CZ-CD1 3.42Å; Y320-Y547 AromaticContact CZ-CE1 3.95Å
321G93.7Very high92.6Very high0 Ų025 Ų250%017%0.166CC..SBendtrans132.3-178.7-179.700000112.4K327 S463G321-K327 PolarHBondContact O-NZ 2.84Å; G321-S463 PolarHBondContact O-N 3.01Å; G321-S463 PolarHBondContact O-OG 3.17Å
322Q90Very high92.5Very high25 Ų2522.4 Ų22.412%0.11714%0.144CC..  trans-63.3164.9179.464.3166.3103.500113.6A325 K327 S463 E464 S532 H540Q322-A325 HydrophobicContact CG-CB 3.81Å; Q322-A325 WeakPolarHBondContact O-CB 3.27Å; Q322-A325 PolarHBondContact O-N 2.9Å; Q322-K327 PolarHBondContact O-NZ 3.44Å; Q322-S463 PolarHBondContact N-OG 3.05Å; Q322-E464 WeakPolarHBondContact CA-OE2 3.38Å; Q322-S532 PolarHBondContact OE1-OG 2.92Å; Q322-H540 HydrophobicContact CB-CB 4.17Å; Q322-H540 HydrophobicContact CG-CB 4.37Å; Q322-H540 VanDerWaalsContact OE1-CB 3.3Å
323T88.3Confident92.3Very high49 Ų4920.8 Ų20.830%0.30113%0.127SC..THydrogen-bonded Turntrans-60140.9161-68.80000110.6A325 S434 E464T323-A325 VanDerWaalsContact C-N 3.3Å; T323-A325 PolarHBondContact O-N 3.48Å; T323-S434 WeakPolarHBondContact OG1-CB 3.41Å; T323-E464 WeakPolarHBondContact CB-OE1 3.48Å; T323-E464 PolarHBondContact N-OE2 3.16Å; T323-E464 PolarHBondContact OG1-OE1 3.31Å; T323-E464 PolarHBondContact OG1-OE2 3.26Å
324G87.7Confident91.6Very high52 Ų5223.3 Ų23.354%0.53614%0.144SC..THydrogen-bonded Turntrans81.8-8.9-174.100000115.5R238 G326R238-G324 WeakPolarHBondContact CD-O 3.36Å; R238-G324 PolarHBondContact NE-O 3.46Å; G324-G326 VanDerWaalsContact C-N 3.27Å; G324-G326 PolarHBondContact O-N 2.82Å
325A91.5Very high90.1Very high1 Ų125.3 Ų25.31%0.00817%0.168CC..SBendtrans-73.1-9.8-179.300000115.4Q322 T323 N530Q322-A325 HydrophobicContact CG-CB 3.81Å; Q322-A325 WeakPolarHBondContact O-CB 3.27Å; Q322-A325 PolarHBondContact O-N 2.9Å; T323-A325 VanDerWaalsContact C-N 3.3Å; T323-A325 PolarHBondContact O-N 3.48Å; A325-N530 HydrophobicContact CB-CB 3.85Å; A325-N530 WeakPolarHBondContact CB-O 3.29Å
326G91.8Very high88.2Confident20 Ų2031.5 Ų31.521%0.20621%0.208CC..SBendtrans97.218.3179.400000116.2G324 H329 T330G324-G326 VanDerWaalsContact C-N 3.27Å; G324-G326 PolarHBondContact O-N 2.82Å; G326-H329 PolarHBondContact O-N 2.69Å; G326-T330 PolarHBondContact O-N 3.09Å; G326-T330 PolarHBondContact O-OG1 2.89Å
327K93.4Very high86.2Confident13 Ų1335.2 Ų35.26%0.05724%0.238CC..Hα-helixtrans-52.2-63174.8-58.6-167.1-63-79.60112.4A319 G321 Q322 H329 T330 M331 D459 L460 A461 N530A319-K327 HydrophobicContact CB-CB 3.85Å; A319-K327 HydrophobicContact CB-CG 4.26Å; G321-K327 PolarHBondContact O-NZ 2.84Å; Q322-K327 PolarHBondContact O-NZ 3.44Å; K327-H329 VanDerWaalsContact C-N 3.29Å; K327-H329 PolarHBondContact O-N 2.69Å; K327-T330 WeakPolarHBondContact O-CB 3.39Å; K327-T330 PolarHBondContact O-N 3.43Å; K327-M331 PolarHBondContact O-N 3.48Å; K327-D459 WeakPolarHBondContact CB-OD1 3.43Å; K327-L460 WeakPolarHBondContact CE-O 3.48Å; K327-A461 WeakPolarHBondContact CE-O 3.33Å; K327-A461 PolarHBondContact NZ-O 2.85Å; K327-N530 WeakPolarHBondContact CA-OD1 3.46Å; K327-N530 HydrophobicContact CG-CB 4.04Å
328T90.5Very high84.8Confident42 Ų4236.2 Ų36.226%0.25825%0.249SC..Hα-helixtrans-62.5-32.9178.5-40.30000112.4T330 M331 L332 D459T328-T330 VanDerWaalsContact C-N 3.32Å; T328-T330 PolarHBondContact O-N 3.33Å; T328-M331 PolarHBondContact O-N 2.93Å; T328-L332 HydrophobicContact CG2-CB 4.27Å; T328-L332 HydrophobicContact CG2-CD2 4.47Å; T328-L332 VanDerWaalsContact O-CB 3.27Å; T328-L332 WeakPolarHBondContact O-CB 3.34Å; T328-L332 PolarHBondContact O-N 2.88Å; T328-D459 WeakPolarHBondContact CB-OD2 3.17Å; T328-D459 PolarHBondContact N-OD1 3.28Å; T328-D459 PolarHBondContact OG1-OD1 2.76Å; T328-D459 PolarHBondContact OG1-OD2 3.27Å
329H91.3Very high84.4Confident70 Ų7038.9 Ų38.932%0.32427%0.266SS..Hα-helixtrans-63.7-36.2173.4178.7-82.2000112.6N294 G326 K327 G333N294-H329 PolarHBondContact ND2-O 3.41Å; N294-H329 VanDerWaalsContact ND2-O 3.13Å; G326-H329 PolarHBondContact O-N 2.69Å; K327-H329 VanDerWaalsContact C-N 3.29Å; K327-H329 PolarHBondContact O-N 2.69Å; H329-G333 WeakPolarHBondContact O-CA 3.37Å; H329-G333 PolarHBondContact O-N 2.96Å
330T94.5Very high84.3Confident1 Ų139 Ų391%0.00627%0.267CS..Hα-helixtrans-70.1-46.7175.6-540000110.2R236 V297 G326 K327 T328 L341 I528 N530R236-T330 PolarHBondContact NH1-OG1 3.16Å; V297-T330 HydrophobicContact CG1-CG2 4.06Å; G326-T330 PolarHBondContact O-N 3.09Å; G326-T330 PolarHBondContact O-OG1 2.89Å; K327-T330 WeakPolarHBondContact O-CB 3.39Å; K327-T330 PolarHBondContact O-N 3.43Å; T328-T330 VanDerWaalsContact C-N 3.32Å; T328-T330 PolarHBondContact O-N 3.33Å; T330-L341 HydrophobicContact CG2-CD1 3.98Å; T330-L341 HydrophobicContact CG2-CD2 4.19Å; T330-L341 WeakPolarHBondContact O-CD1 3.17Å; T330-L341 PolarHBondContact O-N 2.73Å; T330-L341 VanDerWaalsContact O-N 3.1Å; T330-I528 HydrophobicContact CG2-CD1 4.21Å; T330-N530 PolarHBondContact OG1-ND2 3.29Å; T330-N530 VanDerWaalsContact OG1-ND2 3.09Å
331M94.1Very high84.3Confident0 Ų038.6 Ų38.60%027%0.265CS..Hα-helixtrans-71.8-53.5-176.2-74.2-64-175.700113.7C317 A319 K327 T328 G340 L341 Y342 F457 D459C317-M331 HydrophobicContact CB-CE 4.43Å; C317-M331 WeakPolarHBondContact O-CE 3.43Å; A319-M331 HydrophobicContact CB-CE 3.7Å; A319-M331 HydrophobicContact CB-CG 3.9Å; K327-M331 PolarHBondContact O-N 3.48Å; T328-M331 PolarHBondContact O-N 2.93Å; M331-G340 CarbonylContact O-C 3.56Å; M331-G340 WeakPolarHBondContact O-CA 3.39Å; M331-L341 PolarHBondContact O-N 3.24Å; M331-L341 VanDerWaalsContact O-N 3.13Å; M331-Y342 HydrophobicContact CB-CD1 4.41Å; M331-Y342 HydrophobicContact CB-CE1 3.69Å; M331-Y342 HydrophobicContact CB-CE2 4.28Å; M331-Y342 HydrophobicContact CG-CE1 4.18Å; M331-Y342 WeakPolarHBondContact O-CD1 3.39Å; M331-Y342 WeakPolarHBondContact O-CD2 3.45Å; M331-Y342 PolarHBondContact O-N 2.72Å; M331-Y342 VanDerWaalsContact O-N 3.13Å; M331-Y342 HydrophobicContact SD-CD1 4.36Å; M331-Y342 HydrophobicContact SD-CE1 3.75Å; M331-F457 HydrophobicContact CE-CD1 4.38Å; M331-F457 HydrophobicContact SD-CB 4.08Å; M331-F457 HydrophobicContact SD-CD1 3.87Å; M331-F457 HydrophobicContact SD-CG 4.45Å; M331-D459 HydrophobicContact CG-CB 4.25Å
332L90Very high84.3Confident52 Ų5238.9 Ų38.927%0.27227%0.266SS..Hα-helixtrans-89-30-176.2-178.260.8000113.7T328 G340 Y342 I415 T419T328-L332 HydrophobicContact CG2-CB 4.27Å; T328-L332 HydrophobicContact CG2-CD2 4.47Å; T328-L332 VanDerWaalsContact O-CB 3.27Å; T328-L332 WeakPolarHBondContact O-CB 3.34Å; T328-L332 PolarHBondContact O-N 2.88Å; L332-G340 WeakPolarHBondContact O-CA 3.26Å; L332-G340 PolarHBondContact O-N 3.2Å; L332-Y342 HydrophobicContact CB-CE2 4.39Å; L332-Y342 HydrophobicContact CD1-CD2 4.24Å; L332-Y342 HydrophobicContact CD1-CE2 4.44Å; L332-I415 HydrophobicContact CD1-CG2 3.36Å; L332-T419 HydrophobicContact CD2-CG2 3.95Å
333G86.4Confident84.5Confident11 Ų1137.9 Ų37.911%0.11326%0.262CS..EExtended strand (participates in β ladder)trans85.7-170.4-166.800000112.4H329 G338 G340H329-G333 WeakPolarHBondContact O-CA 3.37Å; H329-G333 PolarHBondContact O-N 2.96Å; G333-G338 WeakPolarHBondContact CA-O 3.44Å; G333-G340 VanDerWaalsContact N-CA 3.29Å
334S76.9Confident84.9Confident58 Ų5835.7 Ų35.741%0.40625%0.249SC..EExtended strand (participates in β ladder)trans-155.9132.4172.4-173.20000109P336 A337 G338S334-P336 CarbonylContact O-C 3.56Å; S334-A337 CarbonylContact O-C 3.48Å; S334-A337 WeakPolarHBondContact O-CA 3.4Å; S334-A337 PolarHBondContact O-N 3.41Å; S334-G338 PolarHBondContact N-O 3.3Å; S334-G338 PolarHBondContact O-N 3.46Å
335S61.5Low85.3Confident119 Ų11933.2 Ų33.283%0.83222%0.224SC*.THydrogen-bonded Turntrans-82.3136172.4-1730000109.9
336P54.2Low85.4Confident131 Ų13133.2 Ų33.285%0.85122%0.223SC*.THydrogen-bonded Turncis-87.5-2.5-2.236.2-36.5000114.3S334 G338S334-P336 CarbonylContact O-C 3.56Å; P336-G338 VanDerWaalsContact C-N 3.32Å; P336-G338 PolarHBondContact O-N 3.22Å
337A54.7Low85.6Confident78 Ų7837.6 Ų37.665%0.64523%0.233SC*.THydrogen-bonded Turntrans-64.2-18.2-166.600000117.1S334S334-A337 CarbonylContact O-C 3.48Å; S334-A337 WeakPolarHBondContact O-CA 3.4Å; S334-A337 PolarHBondContact O-N 3.41Å
338G66Low85.7Confident22 Ų2238.2 Ų38.223%0.22724%0.238CC..EExtended strand (participates in β ladder)trans153.8161.4170.400000115.7G333 S334 P336G333-G338 WeakPolarHBondContact CA-O 3.44Å; S334-G338 PolarHBondContact N-O 3.3Å; S334-G338 PolarHBondContact O-N 3.46Å; P336-G338 VanDerWaalsContact C-N 3.32Å; P336-G338 PolarHBondContact O-N 3.22Å
339T86Confident85.9Confident64 Ų6436.2 Ų36.239%0.39323%0.225SC..EExtended strand (participates in β ladder)trans-74.1142179.4-54.70000110.8N294 A343 L344N294-T339 WeakPolarHBondContact CB-O 3.3Å; N294-T339 PolarHBondContact ND2-O 3.33Å; T339-A343 HydrophobicContact CG2-CB 3.6Å; T339-L344 HydrophobicContact CG2-CD2 4.18Å; T339-L344 HydrophobicContact CG2-CG 4.01Å
340G92.9Very high86.1Confident2 Ų234.9 Ų34.92%0.02122%0.219CC..  trans-77.2160.2175.100000114.5M331 L332 G333 Y342 A343 L344M331-G340 CarbonylContact O-C 3.56Å; M331-G340 WeakPolarHBondContact O-CA 3.39Å; L332-G340 WeakPolarHBondContact O-CA 3.26Å; L332-G340 PolarHBondContact O-N 3.2Å; G333-G340 VanDerWaalsContact N-CA 3.29Å; G340-Y342 PolarHBondContact O-N 3.38Å; G340-Y342 VanDerWaalsContact O-N 3.08Å; G340-A343 PolarHBondContact O-N 3.25Å; G340-A343 VanDerWaalsContact O-N 3.14Å; G340-L344 WeakPolarHBondContact O-CG 3.46Å; G340-L344 PolarHBondContact O-N 3.32Å; G340-L344 VanDerWaalsContact O-N 3.14Å
341L95.3Very high86.1Confident0 Ų037.5 Ų37.50%024%0.241CC..Hα-helixtrans-49-34.6172-95.959.8000112.8V297 Y298 A302 T330 M331 A345 F457 I528V297-L341 HydrophobicContact CG1-CD1 4.27Å; Y298-L341 HydrophobicContact CD2-CG 4.21Å; A302-L341 HydrophobicContact CB-CD2 4.11Å; A302-L341 HydrophobicContact CB-CG 4.27Å; T330-L341 HydrophobicContact CG2-CD1 3.98Å; T330-L341 HydrophobicContact CG2-CD2 4.19Å; T330-L341 WeakPolarHBondContact O-CD1 3.17Å; T330-L341 PolarHBondContact O-N 2.73Å; T330-L341 VanDerWaalsContact O-N 3.1Å; M331-L341 PolarHBondContact O-N 3.24Å; M331-L341 VanDerWaalsContact O-N 3.13Å; L341-A345 VanDerWaalsContact O-CB 3.26Å; L341-A345 WeakPolarHBondContact O-CB 3.37Å; L341-A345 PolarHBondContact O-N 2.87Å; L341-F457 HydrophobicContact CB-CE1 4.25Å; L341-I528 HydrophobicContact CD2-CD1 3.6Å
342Y94.2Very high86.1Confident6 Ų641.7 Ų41.72%0.02426%0.26CS..Hα-helixtrans-56.8-51.5177.6-60.5-20.2000113.3M331 L332 G340 V346 I415 L440 F457M331-Y342 HydrophobicContact CB-CD1 4.41Å; M331-Y342 HydrophobicContact CB-CE1 3.69Å; M331-Y342 HydrophobicContact CB-CE2 4.28Å; M331-Y342 HydrophobicContact CG-CE1 4.18Å; M331-Y342 WeakPolarHBondContact O-CD1 3.39Å; M331-Y342 WeakPolarHBondContact O-CD2 3.45Å; M331-Y342 PolarHBondContact O-N 2.72Å; M331-Y342 VanDerWaalsContact O-N 3.13Å; M331-Y342 HydrophobicContact SD-CD1 4.36Å; M331-Y342 HydrophobicContact SD-CE1 3.75Å; L332-Y342 HydrophobicContact CB-CE2 4.39Å; L332-Y342 HydrophobicContact CD1-CD2 4.24Å; L332-Y342 HydrophobicContact CD1-CE2 4.44Å; G340-Y342 PolarHBondContact O-N 3.38Å; G340-Y342 VanDerWaalsContact O-N 3.08Å; Y342-V346 WeakPolarHBondContact O-CG2 3.4Å; Y342-V346 PolarHBondContact O-N 3.36Å; Y342-I415 HydrophobicContact CD2-CD1 3.73Å; Y342-I415 HydrophobicContact CD2-CG2 4.05Å; Y342-I415 HydrophobicContact CE2-CG2 4.25Å; Y342-I415 HydrophobicContact CG-CD1 4.09Å; Y342-L440 HydrophobicContact CD1-CD2 3.61Å; Y342-L440 HydrophobicContact CD2-CD2 3.85Å; Y342-L440 HydrophobicContact CE1-CB 4.26Å; Y342-L440 HydrophobicContact CE1-CD2 3.94Å; Y342-L440 HydrophobicContact CE2-CD2 4.13Å; Y342-L440 HydrophobicContact CG-CD2 3.54Å; Y342-F457 HydrophobicContact CD1-CB 3.89Å; Y342-F457 HydrophobicContact CD1-CD1 4.21Å; Y342-F457 HydrophobicContact CD1-CD2 4.33Å; Y342-F457 AromaticContact CD1-CG 3.91Å; Y342-F457 HydrophobicContact CD1-CG 3.91Å; Y342-F457 HydrophobicContact CE1-CB 3.46Å; Y342-F457 VanDerWaalsContact CE1-CB 3.46Å; Y342-F457 HydrophobicContact CE1-CD1 4.42Å; Y342-F457 HydrophobicContact CE1-CG 4Å
343A93.5Very high86.2Confident4 Ų440 Ų403%0.03325%0.251CS..Hα-helixtrans-82.7-29.5-175.100000112.2T339 G340 V346 R347 V408 L411 L412T339-A343 HydrophobicContact CG2-CB 3.6Å; G340-A343 PolarHBondContact O-N 3.25Å; G340-A343 VanDerWaalsContact O-N 3.14Å; A343-V346 PolarHBondContact O-N 3.02Å; A343-R347 WeakPolarHBondContact O-CB 3.21Å; A343-R347 PolarHBondContact O-N 3.47Å; A343-V408 HydrophobicContact CB-CG1 3.91Å; A343-L411 HydrophobicContact CB-CD2 4.32Å; A343-L412 HydrophobicContact CB-CD1 4.5Å; A343-L412 HydrophobicContact CB-CD2 3.92Å; A343-L412 HydrophobicContact CB-CG 4.27Å
344L95.6Very high86.4Confident4 Ų443.8 Ų43.82%0.02128%0.276CS..Hα-helixtrans-61-44.2168.9-66.3172.3000111.1N294 E295 Y298 T339 G340 V346 R347 D348N294-L344 HydrophobicContact CB-CD1 4.44Å; E295-L344 HydrophobicContact CG-CD1 4.39Å; E295-L344 HydrophobicContact CG-CD2 4.21Å; Y298-L344 HydrophobicContact CD1-CB 3.97Å; Y298-L344 HydrophobicContact CD1-CD1 4.38Å; Y298-L344 HydrophobicContact CD2-CB 3.66Å; Y298-L344 HydrophobicContact CD2-CD1 4.44Å; Y298-L344 HydrophobicContact CE1-CB 4.21Å; Y298-L344 HydrophobicContact CE2-CB 3.95Å; Y298-L344 HydrophobicContact CG-CB 3.71Å; Y298-L344 HydrophobicContact CG-CD1 3.9Å; Y298-L344 HydrophobicContact CG-CG 4.43Å; T339-L344 HydrophobicContact CG2-CD2 4.18Å; T339-L344 HydrophobicContact CG2-CG 4.01Å; G340-L344 WeakPolarHBondContact O-CG 3.46Å; G340-L344 PolarHBondContact O-N 3.32Å; G340-L344 VanDerWaalsContact O-N 3.14Å; L344-V346 PolarHBondContact O-N 2.84Å; L344-R347 PolarHBondContact O-N 2.72Å; L344-D348 PolarHBondContact O-N 3.22Å
345A96.3Very high87.1Confident0 Ų045.2 Ų45.20%029%0.291CS..Hα-helixtrans-59.9-45.8175.400000112.7Y298 V306 L341 D348 I349 F457Y298-A345 HydrophobicContact CE2-CB 3.94Å; V306-A345 HydrophobicContact CG2-CB 3.74Å; L341-A345 VanDerWaalsContact O-CB 3.26Å; L341-A345 WeakPolarHBondContact O-CB 3.37Å; L341-A345 PolarHBondContact O-N 2.87Å; A345-D348 PolarHBondContact O-N 3.46Å; A345-I349 WeakPolarHBondContact O-CD1 3.48Å; A345-I349 WeakPolarHBondContact O-CG1 3.29Å; A345-I349 PolarHBondContact O-N 3.34Å; A345-F457 HydrophobicContact CB-CE2 4.07Å; A345-F457 HydrophobicContact CB-CZ 3.63Å
346V94.6Very high88.3Confident0 Ų043.3 Ų43.30%028%0.275CS..Hα-helixtrans-73.8-32.3-176.9172.10000113Y342 A343 L344 D348 I349 F350 V408 L411 I442Y342-V346 WeakPolarHBondContact O-CG2 3.4Å; Y342-V346 PolarHBondContact O-N 3.36Å; A343-V346 PolarHBondContact O-N 3.02Å; L344-V346 PolarHBondContact O-N 2.84Å; V346-D348 VanDerWaalsContact C-N 3.32Å; V346-D348 PolarHBondContact O-N 3.46Å; V346-I349 HydrophobicContact CG2-CD1 4.39Å; V346-I349 PolarHBondContact O-N 2.87Å; V346-F350 HydrophobicContact CG1-CD2 3.51Å; V346-F350 HydrophobicContact CG1-CE2 3.31Å; V346-F350 HydrophobicContact CG1-CZ 4.4Å; V346-F350 VanDerWaalsContact O-CD2 3.24Å; V346-F350 WeakPolarHBondContact O-CD2 3.45Å; V346-F350 PolarHBondContact O-N 3.05Å; V346-V408 HydrophobicContact CG1-CG2 4.33Å; V346-L411 HydrophobicContact CB-CD2 3.69Å; V346-L411 HydrophobicContact CG1-CB 4.37Å; V346-L411 HydrophobicContact CG1-CD2 4.06Å; V346-L411 HydrophobicContact CG2-CD1 3.98Å; V346-L411 HydrophobicContact CG2-CD2 3.54Å; V346-L411 HydrophobicContact CG2-CG 4.28Å; V346-I442 HydrophobicContact CG2-CD1 3.57Å
347R95.2Very high89.5Confident112 Ų11242.5 Ų42.542%0.42327%0.272SS..Hα-helixtrans-54.7-49.7168.3-178.3-163.168.9-166-3.4110.6A343 L344 F350 A351 V408A343-R347 WeakPolarHBondContact O-CB 3.21Å; A343-R347 PolarHBondContact O-N 3.47Å; L344-R347 PolarHBondContact O-N 2.72Å; R347-F350 PolarHBondContact O-N 2.91Å; R347-A351 WeakPolarHBondContact O-CB 3.23Å; R347-A351 PolarHBondContact O-N 3.28Å; R347-V408 HydrophobicContact CB-CG2 4.13Å
348D95.8Very high90.6Very high27 Ų2740.4 Ų40.414%0.14426%0.255CS..Hα-helixtrans-74.9-32.4-175.3-68.111.3000112Y298 Y303 L344 A345 V346 H352Y298-D348 VanDerWaalsContact CE1-OD2 3.3Å; Y298-D348 WeakPolarHBondContact CE1-OD2 3.46Å; Y298-D348 PolarHBondContact OH-OD2 2.97Å; Y298-D348 VanDerWaalsContact OH-OD2 3.11Å; Y303-D348 WeakPolarHBondContact CD2-OD2 3.3Å; L344-D348 PolarHBondContact O-N 3.22Å; A345-D348 PolarHBondContact O-N 3.46Å; V346-D348 VanDerWaalsContact C-N 3.32Å; V346-D348 PolarHBondContact O-N 3.46Å; D348-H352 WeakPolarHBondContact O-CB 3.32Å; D348-H352 PolarHBondContact O-N 2.73Å
349I95.9Very high91.6Very high0 Ų043.1 Ų43.10%027%0.271CS..Hα-helixtrans-58.5-54.3168.3-70.7160.5000110.5V306 M309 A345 V346 A351 H352 L353 V362 I442 L444V306-I349 HydrophobicContact CG1-CD1 4.47Å; V306-I349 HydrophobicContact CG1-CG1 3.73Å; M309-I349 HydrophobicContact CE-CD1 3.46Å; M309-I349 VanDerWaalsContact CE-CD1 3.46Å; M309-I349 HydrophobicContact CE-CG1 3.68Å; A345-I349 WeakPolarHBondContact O-CD1 3.48Å; A345-I349 WeakPolarHBondContact O-CG1 3.29Å; A345-I349 PolarHBondContact O-N 3.34Å; V346-I349 HydrophobicContact CG2-CD1 4.39Å; V346-I349 PolarHBondContact O-N 2.87Å; I349-A351 VanDerWaalsContact C-N 3.33Å; I349-A351 PolarHBondContact O-N 3.13Å; I349-H352 PolarHBondContact O-N 3.49Å; I349-L353 HydrophobicContact CG2-CD1 3.95Å; I349-L353 HydrophobicContact CG2-CG 4.34Å; I349-L353 WeakPolarHBondContact O-CG 3.4Å; I349-L353 PolarHBondContact O-N 2.75Å; I349-V362 HydrophobicContact CG2-CG2 3.91Å; I349-I442 HydrophobicContact CD1-CG2 4.22Å; I349-L444 HydrophobicContact CG2-CD2 3.83Å
350F95.2Very high92Very high41 Ų4142.2 Ų42.218%0.1826%0.263CS..Hα-helixtrans-65-35.5-179.2-77.7-57000112.8V346 R347 S354 V362 V405 V408V346-F350 HydrophobicContact CG1-CD2 3.51Å; V346-F350 HydrophobicContact CG1-CE2 3.31Å; V346-F350 HydrophobicContact CG1-CZ 4.4Å; V346-F350 VanDerWaalsContact O-CD2 3.24Å; V346-F350 WeakPolarHBondContact O-CD2 3.45Å; V346-F350 PolarHBondContact O-N 3.05Å; R347-F350 PolarHBondContact O-N 2.91Å; F350-S354 WeakPolarHBondContact O-CB 3.38Å; F350-S354 PolarHBondContact O-N 2.9Å; F350-S354 PolarHBondContact O-OG 3.44Å; F350-V362 HydrophobicContact CD1-CG2 4.28Å; F350-V362 HydrophobicContact CE1-CB 4.28Å; F350-V362 HydrophobicContact CE1-CG2 3.66Å; F350-V362 HydrophobicContact CZ-CB 4.15Å; F350-V362 HydrophobicContact CZ-CG2 3.94Å; F350-V405 HydrophobicContact CZ-CG2 4.29Å; F350-V405 WeakPolarHBondContact CZ-O 3.42Å; F350-V408 HydrophobicContact CD2-CG2 4.33Å
351A94.3Very high92.1Very high57 Ų5743.6 Ų43.647%0.47127%0.27SS..Hα-helixtrans-60.8-46.9172.300000111.6R347 I349 S354 A355R347-A351 WeakPolarHBondContact O-CB 3.23Å; R347-A351 PolarHBondContact O-N 3.28Å; I349-A351 VanDerWaalsContact C-N 3.33Å; I349-A351 PolarHBondContact O-N 3.13Å; A351-S354 PolarHBondContact O-N 3.29Å; A351-A355 WeakPolarHBondContact O-CB 3.48Å; A351-A355 PolarHBondContact O-N 2.97Å
352H93.4Very high92.1Very high87 Ų8743.7 Ų43.740%0.40327%0.27SS..Hα-helixtrans-65.6-42.8177.8-170.5-64.8000112.4L310 D348 I349 S354 A355 T356L310-H352 HydrophobicContact CD1-CB 3.82Å; L310-H352 HydrophobicContact CD2-CB 4.13Å; D348-H352 WeakPolarHBondContact O-CB 3.32Å; D348-H352 PolarHBondContact O-N 2.73Å; I349-H352 PolarHBondContact O-N 3.49Å; H352-S354 VanDerWaalsContact C-N 3.33Å; H352-S354 PolarHBondContact O-N 3.28Å; H352-A355 PolarHBondContact O-N 2.81Å; H352-T356 PolarHBondContact CE1-OG1 3.09Å; H352-T356 PolarHBondContact ND1-OG1 2.9Å; H352-T356 VanDerWaalsContact ND1-OG1 3.08Å; H352-T356 WeakPolarHBondContact O-CB 3.27Å; H352-T356 PolarHBondContact O-N 2.86Å; H352-T356 PolarHBondContact O-OG1 2.95Å
353L91.8Very high92.2Very high16 Ų1644.9 Ų44.98%0.08428%0.275CS..Hα-helixtrans-61.2-42.7177.2-69179.6000111.6I349 T356 S357 A358 L360 V362 L444I349-L353 HydrophobicContact CG2-CD1 3.95Å; I349-L353 HydrophobicContact CG2-CG 4.34Å; I349-L353 WeakPolarHBondContact O-CG 3.4Å; I349-L353 PolarHBondContact O-N 2.75Å; L353-T356 PolarHBondContact O-N 2.77Å; L353-S357 PolarHBondContact O-N 2.81Å; L353-S357 VanDerWaalsContact O-N 3.07Å; L353-A358 HydrophobicContact CD2-CB 4.1Å; L353-A358 PolarHBondContact O-N 3.46Å; L353-L360 HydrophobicContact CD2-CB 3.82Å; L353-L360 HydrophobicContact CD2-CD1 3.97Å; L353-L360 HydrophobicContact CD2-CG 4.33Å; L353-V362 HydrophobicContact CD1-CG2 3.74Å; L353-L444 HydrophobicContact CD1-CD2 4.43Å
354S91.2Very high92.4Very high92 Ų9244.7 Ų44.764%0.64327%0.274SS*.Hα-helixtrans-63.3-47.1176-54.50000111.8F350 A351 H352 T356 S357F350-S354 WeakPolarHBondContact O-CB 3.38Å; F350-S354 PolarHBondContact O-N 2.9Å; F350-S354 PolarHBondContact O-OG 3.44Å; A351-S354 PolarHBondContact O-N 3.29Å; H352-S354 VanDerWaalsContact C-N 3.33Å; H352-S354 PolarHBondContact O-N 3.28Å; S354-T356 VanDerWaalsContact C-N 3.3Å; S354-T356 PolarHBondContact O-N 2.84Å; S354-S357 PolarHBondContact O-N 3.45Å
355A91.4Very high92.4Very high88 Ų8844.5 Ų44.573%0.72727%0.273SS*.Hα-helixtrans-64.7-32178.800000113.3A351 H352A351-A355 WeakPolarHBondContact O-CB 3.48Å; A351-A355 PolarHBondContact O-N 2.97Å; H352-A355 PolarHBondContact O-N 2.81Å
356T87.4Confident92.3Very high79 Ų7944.6 Ų44.649%0.48527%0.273SS..Hα-helixtrans-89.9-10.5-177.5-43.80000112.9H352 L353 S354 A358H352-T356 PolarHBondContact CE1-OG1 3.09Å; H352-T356 PolarHBondContact ND1-OG1 2.9Å; H352-T356 VanDerWaalsContact ND1-OG1 3.08Å; H352-T356 WeakPolarHBondContact O-CB 3.27Å; H352-T356 PolarHBondContact O-N 2.86Å; H352-T356 PolarHBondContact O-OG1 2.95Å; L353-T356 PolarHBondContact O-N 2.77Å; S354-T356 VanDerWaalsContact C-N 3.3Å; S354-T356 PolarHBondContact O-N 2.84Å; T356-A358 HydrophobicContact CG2-CB 4.14Å; T356-A358 PolarHBondContact O-N 2.81Å
357S79.5Confident92.3Very high113 Ų11344.6 Ų44.679%0.7927%0.273SS*.THydrogen-bonded Turntrans51.430.4-167.5-58.20000113.5L353 S354L353-S357 PolarHBondContact O-N 2.81Å; L353-S357 VanDerWaalsContact O-N 3.07Å; S354-S357 PolarHBondContact O-N 3.45Å
358A78.2Confident92.2Very high35 Ų3539.2 Ų39.229%0.28925%0.253SS..  trans-77.9129.6-172.600000111.4L353 T356 L360L353-A358 HydrophobicContact CD2-CB 4.1Å; L353-A358 PolarHBondContact O-N 3.46Å; T356-A358 HydrophobicContact CG2-CB 4.14Å; T356-A358 PolarHBondContact O-N 2.81Å; A358-L360 HydrophobicContact CB-CD1 4.5Å; A358-L360 HydrophobicContact CB-CG 4.36Å; A358-L360 PolarHBondContact O-N 3.44Å
359S86.8Confident92.1Very high79 Ų7938.2 Ų38.255%0.55225%0.247SC*.  trans-77.449.1179.353.80000113.4
360L93.3Very high91.8Very high44 Ų4439.6 Ų39.623%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-105.3138.2176.4-58.6177.8000110.7L353 A358 L444 R445 N446 A452L353-L360 HydrophobicContact CD2-CB 3.82Å; L353-L360 HydrophobicContact CD2-CD1 3.97Å; L353-L360 HydrophobicContact CD2-CG 4.33Å; A358-L360 HydrophobicContact CB-CD1 4.5Å; A358-L360 HydrophobicContact CB-CG 4.36Å; A358-L360 PolarHBondContact O-N 3.44Å; L360-L444 HydrophobicContact CD1-CB 4.38Å; L360-L444 HydrophobicContact CD1-CD1 4.27Å; L360-R445 CarbonylContact C-O 3.59Å; L360-R445 WeakPolarHBondContact CA-O 3.23Å; L360-N446 HydrophobicContact CD2-CB 3.97Å; L360-A452 HydrophobicContact CD1-CB 4.27Å; L360-A452 HydrophobicContact CD2-CB 3.79Å
361L94.6Very high91.4Very high32 Ų3239.2 Ų39.217%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-105.2137.9176.8-59.1179.3000109.7Y363 R445L361-Y363 HydrophobicContact CB-CD2 4.26Å; L361-Y363 HydrophobicContact CB-CE2 3.75Å; L361-Y363 HydrophobicContact CD1-CE2 4.36Å; L361-R445 PolarHBondContact N-O 3.39Å; L361-R445 PolarHBondContact O-N 3.08Å
362V96.3Very high91Very high2 Ų237.6 Ų37.61%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-90.7122178.4-1720000109.6I349 F350 L353 R404 V405 I442 L444I349-V362 HydrophobicContact CG2-CG2 3.91Å; F350-V362 HydrophobicContact CD1-CG2 4.28Å; F350-V362 HydrophobicContact CE1-CB 4.28Å; F350-V362 HydrophobicContact CE1-CG2 3.66Å; F350-V362 HydrophobicContact CZ-CB 4.15Å; F350-V362 HydrophobicContact CZ-CG2 3.94Å; L353-V362 HydrophobicContact CD1-CG2 3.74Å; V362-R404 WeakPolarHBondContact O-CA 3.44Å; V362-V405 HydrophobicContact CB-CG2 3.99Å; V362-V405 HydrophobicContact CG1-CG2 3.69Å; V362-V405 PolarHBondContact O-N 3.07Å; V362-I442 HydrophobicContact CG1-CG2 3.8Å; V362-L444 HydrophobicContact CG2-CD2 4.06Å
363Y96.8Very high90.9Very high31 Ų3136.8 Ų36.812%0.12224%0.24CC..EExtended strand (participates in β ladder)trans-115.5139.1173.9-74.8-94000110.5L361 D402 I403 R404 I442 Q443 R445 H449L361-Y363 HydrophobicContact CB-CD2 4.26Å; L361-Y363 HydrophobicContact CB-CE2 3.75Å; L361-Y363 HydrophobicContact CD1-CE2 4.36Å; Y363-D402 HydrophobicContact CD1-CB 4.03Å; Y363-I403 CarbonylContact C-O 3.58Å; Y363-I403 WeakPolarHBondContact CA-O 3.43Å; Y363-R404 HydrophobicContact CD1-CB 4.19Å; Y363-R404 HydrophobicContact CE1-CB 3.9Å; Y363-I442 WeakPolarHBondContact O-CA 3.48Å; Y363-Q443 PolarHBondContact N-O 2.64Å; Y363-Q443 PolarHBondContact O-N 3.18Å; Y363-R445 HydrophobicContact CD2-CB 3.94Å; Y363-R445 HydrophobicContact CD2-CG 3.84Å; Y363-R445 HydrophobicContact CE2-CB 4Å; Y363-R445 HydrophobicContact CE2-CG 4.29Å; Y363-H449 PolarHBondContact OH-CE1 3.29Å
364V96.7Very high90.9Very high0 Ų036.2 Ų36.20%024%0.237CC..EExtended strand (participates in β ladder)trans-125137-176.7177.30000109.5I403 V405 L411 V414 L440 Q441V364-I403 PolarHBondContact N-O 2.95Å; V364-I403 PolarHBondContact O-N 3.1Å; V364-V405 HydrophobicContact CB-CG1 4.25Å; V364-V405 HydrophobicContact CG2-CB 4.42Å; V364-V405 HydrophobicContact CG2-CG1 3.91Å; V364-V405 HydrophobicContact CG2-CG2 3.57Å; V364-L411 HydrophobicContact CB-CD1 4.42Å; V364-L411 HydrophobicContact CG1-CD1 4.04Å; V364-L411 HydrophobicContact CG2-CD1 3.58Å; V364-V414 HydrophobicContact CG1-CG1 4.12Å; V364-L440 HydrophobicContact CG1-CD1 3.66Å; V364-Q441 WeakPolarHBondContact CA-O 3.34Å
365S95.3Very high91Very high0 Ų033.5 Ų33.50%021%0.213CC..EExtended strand (participates in β ladder)trans-137.6127.9-177.6-19.30000107.6D402 Q441 Q443S365-D402 PolarHBondContact OG-OD1 2.96Å; S365-Q441 PolarHBondContact N-O 3.37Å; S365-Q441 WeakPolarHBondContact O-CB 3.41Å; S365-Q441 PolarHBondContact O-N 3.48Å; S365-Q441 PolarHBondContact OG-OE1 2.78Å; S365-Q443 PolarHBondContact OG-NE2 3.17Å; S365-Q443 VanDerWaalsContact OG-NE2 3.11Å
366F94.8Very high91Very high1 Ų129.5 Ų29.50%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-134.4120.5-172.2-167.2-154.1000111.4L377 L378 I415 A438 L440F366-L377 HydrophobicContact CD1-CB 4.27Å; F366-L377 HydrophobicContact CD1-CD1 4.06Å; F366-L377 HydrophobicContact CD2-CD1 4.07Å; F366-L377 HydrophobicContact CE1-CD1 3.95Å; F366-L377 HydrophobicContact CE2-CD1 3.97Å; F366-L377 HydrophobicContact CG-CB 4.46Å; F366-L377 HydrophobicContact CG-CD1 4.11Å; F366-L377 HydrophobicContact CZ-CD1 3.9Å; F366-L377 WeakPolarHBondContact O-CB 3.35Å; F366-L377 PolarHBondContact O-N 2.88Å; F366-L378 HydrophobicContact CB-CD1 4.02Å; F366-L378 HydrophobicContact CB-CD2 3.95Å; F366-L378 HydrophobicContact CB-CG 3.94Å; F366-L378 HydrophobicContact CD1-CD2 4.34Å; F366-I415 HydrophobicContact CE1-CG2 4.44Å; F366-A438 HydrophobicContact CE2-CB 4Å; F366-A438 HydrophobicContact CZ-CB 4.45Å; F366-L440 HydrophobicContact CB-CD1 3.87Å; F366-L440 HydrophobicContact CD1-CD1 4.47Å; F366-L440 HydrophobicContact CD2-CB 3.96Å; F366-L440 HydrophobicContact CD2-CD1 3.82Å; F366-L440 HydrophobicContact CE2-CB 4.17Å; F366-L440 HydrophobicContact CE2-CD1 4.47Å; F366-L440 HydrophobicContact CG-CD1 3.83Å
367F94.2Very high91.2Very high0 Ų025.8 Ų25.80%016%0.156CC..EExtended strand (participates in β ladder)trans-144.2167.6-179.166.4-89.6000111.1I369 L374 Y375 L385 I397 L400 L439 W456 V514F367-I369 HydrophobicContact CE2-CG1 4.33Å; F367-L374 HydrophobicContact CE2-CD2 4.26Å; F367-Y375 VanDerWaalsContact CA-O 3.32Å; F367-Y375 WeakPolarHBondContact CA-O 3.24Å; F367-Y375 VanDerWaalsContact CB-O 3.23Å; F367-Y375 WeakPolarHBondContact CB-O 3.43Å; F367-L385 HydrophobicContact CB-CD1 3.99Å; F367-L385 HydrophobicContact CG-CD1 4.39Å; F367-I397 HydrophobicContact CD1-CD1 4.37Å; F367-I397 HydrophobicContact CE1-CD1 3.46Å; F367-I397 VanDerWaalsContact CE1-CD1 3.46Å; F367-I397 HydrophobicContact CE2-CD1 3.96Å; F367-I397 HydrophobicContact CZ-CD1 3.23Å; F367-L400 HydrophobicContact CB-CD1 4.09Å; F367-L400 HydrophobicContact CD1-CD1 3.61Å; F367-L400 HydrophobicContact CD1-CD2 3.88Å; F367-L400 HydrophobicContact CD1-CG 4.43Å; F367-L400 HydrophobicContact CE1-CD1 4.46Å; F367-L400 HydrophobicContact CE1-CD2 3.91Å; F367-L400 HydrophobicContact CG-CD1 4.22Å; F367-L439 HydrophobicContact CD2-CB 4.39Å; F367-L439 HydrophobicContact CE1-CB 4.04Å; F367-L439 HydrophobicContact CE2-CB 3.85Å; F367-L439 HydrophobicContact CE2-CD1 3.95Å; F367-L439 HydrophobicContact CE2-CD2 4.14Å; F367-L439 HydrophobicContact CE2-CG 4.19Å; F367-L439 HydrophobicContact CZ-CB 3.64Å; F367-L439 HydrophobicContact CZ-CD1 4.48Å; F367-L439 HydrophobicContact CZ-CD2 3.94Å; F367-L439 HydrophobicContact CZ-CG 4.22Å; F367-L439 PolarHBondContact N-O 2.8Å; F367-L439 PolarHBondContact O-N 2.94Å; F367-W456 AromaticContact CE1-CH2 3.77Å; F367-W456 HydrophobicContact CE1-CH2 3.77Å; F367-W456 AromaticContact CE1-CZ3 3.56Å; F367-W456 HydrophobicContact CE1-CZ3 3.56Å; F367-W456 HydrophobicContact CZ-CH2 4.02Å; F367-W456 AromaticContact CZ-CZ3 3.88Å; F367-W456 HydrophobicContact CZ-CZ3 3.88Å; F367-V514 HydrophobicContact CZ-CG1 4.09Å
368E93.3Very high91.7Very high0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-121159.8171.966.3173.5-167.300112.8L374 Y375 L377 R381 S436 H437E368-L374 WeakPolarHBondContact O-CA 3.45Å; E368-Y375 PolarHBondContact N-O 3.05Å; E368-Y375 PolarHBondContact O-N 2.9Å; E368-L377 HydrophobicContact CB-CD1 4.23Å; E368-L377 HydrophobicContact CB-CD2 4.35Å; E368-L377 HydrophobicContact CB-CG 4.37Å; E368-L377 HydrophobicContact CG-CD2 3.92Å; E368-L377 HydrophobicContact CG-CG 4.32Å; E368-R381 IonicContact OE1-CZ 3.99Å; E368-R381 IonicContact OE1-NE 3.41Å; E368-R381 PolarHBondContact OE1-NE 2.87Å; E368-R381 IonicContact OE1-NH2 3.44Å; E368-R381 PolarHBondContact OE1-NH2 3.3Å; E368-R381 IonicContact OE2-NH2 2.81Å; E368-R381 PolarHBondContact OE2-NH2 2.99Å; E368-S436 WeakPolarHBondContact OE2-CB 3.21Å; E368-S436 PolarHBondContact OE2-OG 2.66Å; E368-H437 CarbonylContact C-O 3.58Å; E368-H437 WeakPolarHBondContact CA-O 3.32Å
369I93.2Very high92.1Very high6 Ų621.6 Ų21.63%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-111114.5165.7-56.1178000107.6F367 Q373 L374 S436 H437 L439 K510 L511F367-I369 HydrophobicContact CE2-CG1 4.33Å; I369-Q373 WeakPolarHBondContact CA-O 3.44Å; I369-L374 HydrophobicContact CG1-CG 4.25Å; I369-S436 WeakPolarHBondContact O-CA 3.39Å; I369-H437 HydrophobicContact CB-CB 4.38Å; I369-H437 PolarHBondContact N-O 3.42Å; I369-H437 PolarHBondContact O-N 2.91Å; I369-L439 HydrophobicContact CD1-CD1 3.92Å; I369-L439 HydrophobicContact CG1-CD1 3.96Å; I369-K510 HydrophobicContact CD1-CB 4.42Å; I369-K510 HydrophobicContact CG2-CB 4.24Å; I369-L511 HydrophobicContact CD1-CB 4.14Å; I369-L511 HydrophobicContact CD1-CD1 4.16Å
370Y89.7Confident91.6Very high29 Ų2922.3 Ų22.311%0.11411%0.113CC..EExtended strand (participates in β ladder)trans-135.1130.2-177.6178.6-108.6000109.6G372 Q373 Y375 L432 R435 E479Y370-G372 VanDerWaalsContact C-N 3.33Å; Y370-G372 PolarHBondContact O-N 3.34Å; Y370-Q373 PolarHBondContact N-O 2.84Å; Y370-Q373 PolarHBondContact O-N 3.39Å; Y370-Y375 HydrophobicContact CD1-CE2 4.44Å; Y370-L432 HydrophobicContact CE2-CD1 4.39Å; Y370-R435 HydrophobicContact CE2-CB 4.49Å; Y370-E479 HydrophobicContact CE2-CG 3.86Å; Y370-E479 VanDerWaalsContact OH-CD 3.29Å; Y370-E479 PolarHBondContact OH-OE1 3.04Å
371C87.2Confident90.6Very high32 Ų3222.1 Ų22.122%0.21611%0.109CC..THydrogen-bonded Turntrans44.852.4-175.2-58.50000113.5Q373 E479C371-Q373 WeakPolarHBondContact O-CG 3.14Å; C371-Q373 PolarHBondContact O-N 2.91Å; C371-Q373 VanDerWaalsContact O-N 3.13Å; C371-E479 VanDerWaalsContact SG-CG 3.59Å
372G86.4Confident89.4Confident24 Ų2427.8 Ų27.825%0.24713%0.132CC..THydrogen-bonded Turntrans69.24.9179.500000116.1Y370 E482 K510Y370-G372 VanDerWaalsContact C-N 3.33Å; Y370-G372 PolarHBondContact O-N 3.34Å; G372-E482 WeakPolarHBondContact CA-OE2 3.44Å; G372-E482 PolarHBondContact N-OE2 2.94Å; G372-E482 VanDerWaalsContact N-OE2 3.09Å; G372-K510 WeakPolarHBondContact O-CG 3.34Å
373Q90.6Very high88.3Confident70 Ų7035.2 Ų35.233%0.32716%0.16SC..EExtended strand (participates in β ladder)trans-124.4147.3-171-65.7164.521.100111.4I369 Y370 C371 Y375I369-Q373 WeakPolarHBondContact CA-O 3.44Å; Y370-Q373 PolarHBondContact N-O 2.84Å; Y370-Q373 PolarHBondContact O-N 3.39Å; C371-Q373 WeakPolarHBondContact O-CG 3.14Å; C371-Q373 PolarHBondContact O-N 2.91Å; C371-Q373 VanDerWaalsContact O-N 3.13Å; Q373-Y375 HydrophobicContact CB-CD2 4.48Å; Q373-Y375 HydrophobicContact CB-CE2 3.71Å; Q373-Y375 PolarHBondContact OE1-OH 3.43Å
374L93.3Very high87.8Confident3 Ų340.2 Ų40.22%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-95.1134.4179.5-67.970.7000110.4F367 E368 I369 R384 L385 A387 I397 K510 V514F367-L374 HydrophobicContact CE2-CD2 4.26Å; E368-L374 WeakPolarHBondContact O-CA 3.45Å; I369-L374 HydrophobicContact CG1-CG 4.25Å; L374-R384 WeakPolarHBondContact O-CA 3.43Å; L374-L385 HydrophobicContact CB-CB 3.73Å; L374-L385 HydrophobicContact CD2-CB 4.35Å; L374-L385 PolarHBondContact O-N 3.32Å; L374-A387 HydrophobicContact CD2-CB 4.19Å; L374-I397 HydrophobicContact CD2-CD1 4.22Å; L374-I397 HydrophobicContact CD2-CG1 4.36Å; L374-I397 HydrophobicContact CD2-CG2 3.83Å; L374-K510 HydrophobicContact CD1-CB 3.75Å; L374-K510 HydrophobicContact CD1-CD 4.32Å; L374-K510 HydrophobicContact CD1-CG 3.81Å; L374-V514 HydrophobicContact CD2-CG2 4.1Å
375Y92.1Very high87.6Confident36 Ų3640.5 Ų40.514%0.14118%0.18CC..EExtended strand (participates in β ladder)trans-131.9129.6177.3-65-88.8000111.3F367 E368 Y370 Q373 L377 R381 R384F367-Y375 VanDerWaalsContact CA-O 3.32Å; F367-Y375 WeakPolarHBondContact CA-O 3.24Å; F367-Y375 VanDerWaalsContact CB-O 3.23Å; F367-Y375 WeakPolarHBondContact CB-O 3.43Å; E368-Y375 PolarHBondContact N-O 3.05Å; E368-Y375 PolarHBondContact O-N 2.9Å; Y370-Y375 HydrophobicContact CD1-CE2 4.44Å; Q373-Y375 HydrophobicContact CB-CD2 4.48Å; Q373-Y375 HydrophobicContact CB-CE2 3.71Å; Q373-Y375 PolarHBondContact OE1-OH 3.43Å; Y375-L377 PolarHBondContact O-N 3.35Å; Y375-R381 HydrophobicContact CD1-CB 4.06Å; Y375-R384 HydrophobicContact CD1-CG 4.3Å; Y375-R384 HydrophobicContact CE1-CG 3.71Å; Y375-R384 PolarHBondContact OH-NE 2.75Å
376D92.7Very high87.5Confident4 Ų445.8 Ų45.82%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-71123.6175.3-158.6-53.5000110.5L378 E379 R381 L385 R401D376-L378 WeakPolarHBondContact OD1-CA 3.49Å; D376-L378 WeakPolarHBondContact OD1-CB 3.46Å; D376-L378 PolarHBondContact OD1-N 2.96Å; D376-E379 HydrophobicContact CB-CB 4.3Å; D376-E379 PolarHBondContact OD1-N 3.41Å; D376-R381 WeakPolarHBondContact O-CA 3.38Å; D376-R381 PolarHBondContact O-N 2.9Å; D376-L385 HydrophobicContact CB-CD1 3.92Å; D376-L385 HydrophobicContact CB-CD2 4.18Å; D376-L385 HydrophobicContact CB-CG 4.18Å; D376-R401 WeakPolarHBondContact OD2-CB 3.34Å; D376-R401 PolarHBondContact OD2-N 3.45Å
377L91.4Very high87.4Confident0 Ų046.3 Ų46.30%021%0.208CC..THydrogen-bonded Turntrans-84.5-14.4179.9-67.2173.9000112.2F366 E368 Y375 E421 R422F366-L377 HydrophobicContact CD1-CB 4.27Å; F366-L377 HydrophobicContact CD1-CD1 4.06Å; F366-L377 HydrophobicContact CD2-CD1 4.07Å; F366-L377 HydrophobicContact CE1-CD1 3.95Å; F366-L377 HydrophobicContact CE2-CD1 3.97Å; F366-L377 HydrophobicContact CG-CB 4.46Å; F366-L377 HydrophobicContact CG-CD1 4.11Å; F366-L377 HydrophobicContact CZ-CD1 3.9Å; F366-L377 WeakPolarHBondContact O-CB 3.35Å; F366-L377 PolarHBondContact O-N 2.88Å; E368-L377 HydrophobicContact CB-CD1 4.23Å; E368-L377 HydrophobicContact CB-CD2 4.35Å; E368-L377 HydrophobicContact CB-CG 4.37Å; E368-L377 HydrophobicContact CG-CD2 3.92Å; E368-L377 HydrophobicContact CG-CG 4.32Å; Y375-L377 PolarHBondContact O-N 3.35Å; L377-E421 HydrophobicContact CD2-CB 4.41Å; L377-E421 HydrophobicContact CD2-CG 4.08Å; L377-R422 HydrophobicContact CD1-CB 4.35Å; L377-R422 HydrophobicContact CD2-CB 4.04Å
378L90Very high87.3Confident2 Ų253.6 Ų53.61%0.0124%0.235CC..THydrogen-bonded Turntrans-94-8.8-179.7-51.9-179.1000112.3F366 D376 I403 V414F366-L378 HydrophobicContact CB-CD1 4.02Å; F366-L378 HydrophobicContact CB-CD2 3.95Å; F366-L378 HydrophobicContact CB-CG 3.94Å; F366-L378 HydrophobicContact CD1-CD2 4.34Å; D376-L378 WeakPolarHBondContact OD1-CA 3.49Å; D376-L378 WeakPolarHBondContact OD1-CB 3.46Å; D376-L378 PolarHBondContact OD1-N 2.96Å; L378-I403 HydrophobicContact CB-CD1 4.2Å; L378-I403 HydrophobicContact CD1-CD1 3.86Å; L378-I403 HydrophobicContact CD1-CG1 4.05Å; L378-I403 HydrophobicContact CG-CD1 4.47Å; L378-V414 HydrophobicContact CD1-CG1 3.97Å; L378-V414 HydrophobicContact CD2-CG1 3.64Å; L378-V414 WeakPolarHBondContact CD2-O 3.35Å; L378-V414 HydrophobicContact CG-CG1 4.47Å
379E85.1Confident87.2Confident58 Ų5856.4 Ų56.427%0.27125%0.248SC..THydrogen-bonded Turntrans-123.335.4176.5-162.552.3-113.900112.2D376 R381 K382 R401D376-E379 HydrophobicContact CB-CB 4.3Å; D376-E379 PolarHBondContact OD1-N 3.41Å; E379-R381 VanDerWaalsContact C-N 3.26Å; E379-R381 PolarHBondContact O-N 2.89Å; E379-R381 VanDerWaalsContact O-N 3.12Å; E379-K382 HydrophobicContact CG-CD 4.38Å; E379-K382 WeakPolarHBondContact O-CB 3.47Å; E379-K382 VanDerWaalsContact O-CG 3.27Å; E379-K382 WeakPolarHBondContact O-CG 3.34Å; E379-K382 PolarHBondContact O-N 3.47Å; E379-K382 IonicContact OE1-NZ 3.27Å; E379-K382 PolarHBondContact OE1-NZ 3.13Å; E379-R401 IonicContact OE2-CZ 3.93Å; E379-R401 IonicContact OE2-NH1 3.75Å; E379-R401 PolarHBondContact OE2-NH1 2.86Å
380H77.1Confident87.1Confident94 Ų9458.9 Ų58.944%0.43526%0.262SS..THydrogen-bonded Turntrans50.138174.3-65.1-70.1000115.2K382 E421H380-K382 HydrophobicContact CB-CG 4.22Å; H380-K382 PolarHBondContact O-N 3.34Å; H380-E421 VanDerWaalsContact CA-OE2 3.32Å; H380-E421 WeakPolarHBondContact CA-OE2 3.4Å; H380-E421 IonicContact CG-OE2 2.72Å; H380-E421 IonicContact ND1-OE2 3.14Å; H380-E421 PolarHBondContact ND1-OE2 2.73Å
381R72.6Confident87.1Confident41 Ų4161.8 Ų61.816%0.15530%0.3CS..THydrogen-bonded Turntrans52.49.2-174-57.4-174.9171.4104.9-9.6116E368 Y375 D376 E379 R383 E421 R422 L432E368-R381 IonicContact OE1-CZ 3.99Å; E368-R381 IonicContact OE1-NE 3.41Å; E368-R381 PolarHBondContact OE1-NE 2.87Å; E368-R381 IonicContact OE1-NH2 3.44Å; E368-R381 PolarHBondContact OE1-NH2 3.3Å; E368-R381 IonicContact OE2-NH2 2.81Å; E368-R381 PolarHBondContact OE2-NH2 2.99Å; Y375-R381 HydrophobicContact CD1-CB 4.06Å; D376-R381 WeakPolarHBondContact O-CA 3.38Å; D376-R381 PolarHBondContact O-N 2.9Å; E379-R381 VanDerWaalsContact C-N 3.26Å; E379-R381 PolarHBondContact O-N 2.89Å; E379-R381 VanDerWaalsContact O-N 3.12Å; R381-R383 PolarHBondContact O-N 2.84Å; R381-E421 HydrophobicContact CG-CG 4.08Å; R381-E421 WeakPolarHBondContact CG-OE1 3.15Å; R381-E421 IonicContact CZ-OE1 2.69Å; R381-E421 IonicContact NE-OE1 3.28Å; R381-E421 PolarHBondContact NH1-O 2.97Å; R381-E421 IonicContact NH1-OE1 3.69Å; R381-E421 PolarHBondContact NH1-OE1 3.47Å; R381-R422 PolarHBondContact NH2-O 3.06Å; R381-L432 VanDerWaalsContact NH2-CD2 3.28Å
382K69.9Low87Confident150 Ų15068.8 Ų68.865%0.65233%0.327SS*.  trans-56.1-25.1-172.6-66.5168.4-170.51600113E379 H380E379-K382 HydrophobicContact CG-CD 4.38Å; E379-K382 WeakPolarHBondContact O-CB 3.47Å; E379-K382 VanDerWaalsContact O-CG 3.27Å; E379-K382 WeakPolarHBondContact O-CG 3.34Å; E379-K382 PolarHBondContact O-N 3.47Å; E379-K382 IonicContact OE1-NZ 3.27Å; E379-K382 PolarHBondContact OE1-NZ 3.13Å; H380-K382 HydrophobicContact CB-CG 4.22Å; H380-K382 PolarHBondContact O-N 3.34Å
383R72.3Confident87Confident158 Ų15874.9 Ų74.960%0.59635%0.347SS*.SBendtrans-129.6129.9-177.1-172.3177.9-175.61734.7110.9R381R381-R383 PolarHBondContact O-N 2.84Å
384R86.1Confident86.8Confident136 Ų13673.5 Ų73.551%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-69132164.8-74.9177171.1151.7-2.5110.3L374 Y375 F386L374-R384 WeakPolarHBondContact O-CA 3.43Å; Y375-R384 HydrophobicContact CD1-CG 4.3Å; Y375-R384 HydrophobicContact CE1-CG 3.71Å; Y375-R384 PolarHBondContact OH-NE 2.75Å; R384-F386 WeakPolarHBondContact O-CE2 3.47Å
385L92.3Very high86.7Confident6 Ų674 Ų743%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-90.7156.2175.3-55.2-179.3000110.9F367 L374 D376 I397 G399 L400F367-L385 HydrophobicContact CB-CD1 3.99Å; F367-L385 HydrophobicContact CG-CD1 4.39Å; L374-L385 HydrophobicContact CB-CB 3.73Å; L374-L385 HydrophobicContact CD2-CB 4.35Å; L374-L385 PolarHBondContact O-N 3.32Å; D376-L385 HydrophobicContact CB-CD1 3.92Å; D376-L385 HydrophobicContact CB-CD2 4.18Å; D376-L385 HydrophobicContact CB-CG 4.18Å; L385-I397 HydrophobicContact CB-CG2 3.8Å; L385-I397 HydrophobicContact CD1-CG2 3.92Å; L385-I397 HydrophobicContact CG-CG2 4.44Å; L385-G399 VanDerWaalsContact CD2-O 3.3Å; L385-G399 WeakPolarHBondContact CD2-O 3.43Å; L385-L400 HydrophobicContact CD1-CB 4.1Å; L385-L400 HydrophobicContact CD1-CD1 3.81Å
386F92.5Very high86.7Confident112 Ų11276.7 Ų76.749%0.49136%0.36SS..EExtended strand (participates in β ladder)trans-127.9109.7-178.8-62.8-90.5000111.7R384 R388 S398R384-F386 WeakPolarHBondContact O-CE2 3.47Å; F386-R388 HydrophobicContact CB-CG 4.41Å; F386-R388 PolarHBondContact O-N 3.24Å; F386-S398 PolarHBondContact N-O 2.93Å; F386-S398 WeakPolarHBondContact O-CB 3.4Å; F386-S398 PolarHBondContact O-N 2.71Å; F386-S398 PolarHBondContact O-OG 3.34Å
387A93.1Very high86.7Confident11 Ų1177.8 Ų77.89%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-68.5117.2166.400000109.9L374 V395 Q513 V514L374-A387 HydrophobicContact CD2-CB 4.19Å; A387-V395 HydrophobicContact CB-CG1 4.15Å; A387-Q513 HydrophobicContact CB-CG 4.5Å; A387-Q513 PolarHBondContact O-NE2 2.61Å; A387-V514 HydrophobicContact CB-CG2 4.02Å
388R92.4Very high86.7Confident153 Ų15379.6 Ų79.658%0.57738%0.378SS*.EExtended strand (participates in β ladder)trans-124.2149.7179.5-63.2-175-179.7176.5-3.8109.7F386 V395 H396 S398F386-R388 HydrophobicContact CB-CG 4.41Å; F386-R388 PolarHBondContact O-N 3.24Å; R388-V395 CarbonylContact O-C 3.59Å; R388-V395 WeakPolarHBondContact O-CA 3.37Å; R388-H396 PolarHBondContact N-O 3.21Å; R388-H396 PolarHBondContact O-N 2.94Å; R388-S398 WeakPolarHBondContact CD-OG 3.15Å
389E91.1Very high86.7Confident59 Ų5981.5 Ų81.528%0.27640%0.399SS..EExtended strand (participates in β ladder)trans-106.5134.3178.7-172.1170.4-169.300109V394 V395 R507 K516E389-V394 WeakPolarHBondContact CA-O 3.35Å; E389-V395 HydrophobicContact CB-CG2 4.38Å; E389-V395 HydrophobicContact CG-CG2 4.37Å; E389-R507 IonicContact OE2-CZ 3.72Å; E389-R507 IonicContact OE2-NE 3.34Å; E389-R507 PolarHBondContact OE2-NE 2.67Å; E389-R507 IonicContact OE2-NH2 3.28Å; E389-R507 PolarHBondContact OE2-NH2 3.09Å; E389-K516 IonicContact OE1-NZ 2.76Å; E389-K516 PolarHBondContact OE1-NZ 3.26Å
390D90.6Very high87Confident58 Ų5880 Ų8031%0.3139%0.392SS..  trans-90.9178.1-179.474.79.3000113.3K392 K393 V394 H396D390-K392 PolarHBondContact O-N 2.8Å; D390-K392 VanDerWaalsContact OD1-C 3.24Å; D390-K392 VanDerWaalsContact OD1-CA 3.24Å; D390-K392 WeakPolarHBondContact OD1-CA 3.46Å; D390-K392 WeakPolarHBondContact OD1-CB 3.29Å; D390-K392 PolarHBondContact OD1-N 3.01Å; D390-K393 WeakPolarHBondContact O-CA 3.32Å; D390-K393 PolarHBondContact O-N 3.42Å; D390-K393 PolarHBondContact OD1-N 3.41Å; D390-V394 PolarHBondContact N-O 2.84Å; D390-V394 PolarHBondContact OD1-N 3.34Å; D390-H396 IonicContact OD2-CD2 2.75Å; D390-H396 IonicContact OD2-CE1 3.87Å; D390-H396 IonicContact OD2-NE2 2.82Å; D390-H396 PolarHBondContact OD2-NE2 2.82Å
391G89.4Confident87.7Confident90 Ų9081.1 Ų81.193%0.92839%0.393SS*.THydrogen-bonded Turntrans-64.7-13.3176.900000114.9
392K86.6Confident88.7Confident180 Ų18082 Ų8278%0.78340%0.4SS*.THydrogen-bonded Turntrans-95.47.2172.2-62-175.7177.9-176.90112.2D390 V394D390-K392 PolarHBondContact O-N 2.8Å; D390-K392 VanDerWaalsContact OD1-C 3.24Å; D390-K392 VanDerWaalsContact OD1-CA 3.24Å; D390-K392 WeakPolarHBondContact OD1-CA 3.46Å; D390-K392 WeakPolarHBondContact OD1-CB 3.29Å; D390-K392 PolarHBondContact OD1-N 3.01Å; K392-V394 HydrophobicContact CB-CG2 4.26Å; K392-V394 PolarHBondContact O-N 3.26Å
393K85.4Confident89.9Confident151 Ų15176.4 Ų76.466%0.65738%0.377SS*.SBendtrans64.419.5-176.3-51.9-179.4-179.2176.30114.1D390 K516D390-K393 WeakPolarHBondContact O-CA 3.32Å; D390-K393 PolarHBondContact O-N 3.42Å; D390-K393 PolarHBondContact OD1-N 3.41Å; K393-K516 PolarHBondContact O-NZ 3.13Å
394V86.9Confident91Very high42 Ų4274.4 Ų74.426%0.25537%0.37SS..  trans-87.7141.5175.6-178.80000109.5E389 D390 K392 H396E389-V394 WeakPolarHBondContact CA-O 3.35Å; D390-V394 PolarHBondContact N-O 2.84Å; D390-V394 PolarHBondContact OD1-N 3.34Å; K392-V394 HydrophobicContact CB-CG2 4.26Å; K392-V394 PolarHBondContact O-N 3.26Å; V394-H396 PolarHBondContact O-CD2 2.94Å
395V90.9Very high91.4Very high13 Ų1367.9 Ų67.98%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-96.9124.8-179.6-179.30000111.7A387 R388 E389 Q513 K516A387-V395 HydrophobicContact CB-CG1 4.15Å; R388-V395 CarbonylContact O-C 3.59Å; R388-V395 WeakPolarHBondContact O-CA 3.37Å; E389-V395 HydrophobicContact CB-CG2 4.38Å; E389-V395 HydrophobicContact CG-CG2 4.37Å; V395-Q513 HydrophobicContact CG1-CG 4.41Å; V395-Q513 WeakPolarHBondContact CG2-O 3.42Å; V395-K516 HydrophobicContact CG2-CB 4.46Å; V395-K516 HydrophobicContact CG2-CD 4.03Å
396H91.3Very high91.5Very high92 Ų9272.2 Ų72.243%0.42637%0.368SS..EExtended strand (participates in β ladder)trans-119.1136.8-178.9-57.4-86.6000110.8R388 D390 V394 S398R388-H396 PolarHBondContact N-O 3.21Å; R388-H396 PolarHBondContact O-N 2.94Å; D390-H396 IonicContact OD2-CD2 2.75Å; D390-H396 IonicContact OD2-CE1 3.87Å; D390-H396 IonicContact OD2-NE2 2.82Å; D390-H396 PolarHBondContact OD2-NE2 2.82Å; V394-H396 PolarHBondContact O-CD2 2.94Å; H396-S398 PolarHBondContact O-N 3.44Å
397I93.6Very high91.5Very high27 Ų2769.1 Ų69.114%0.13836%0.361CS..EExtended strand (participates in β ladder)trans-95.3100.4179.5-55.3178.7000108.8F367 L374 L385 G399 L400 W456 V514F367-I397 HydrophobicContact CD1-CD1 4.37Å; F367-I397 HydrophobicContact CE1-CD1 3.46Å; F367-I397 VanDerWaalsContact CE1-CD1 3.46Å; F367-I397 HydrophobicContact CE2-CD1 3.96Å; F367-I397 HydrophobicContact CZ-CD1 3.23Å; L374-I397 HydrophobicContact CD2-CD1 4.22Å; L374-I397 HydrophobicContact CD2-CG1 4.36Å; L374-I397 HydrophobicContact CD2-CG2 3.83Å; L385-I397 HydrophobicContact CB-CG2 3.8Å; L385-I397 HydrophobicContact CD1-CG2 3.92Å; L385-I397 HydrophobicContact CG-CG2 4.44Å; I397-G399 PolarHBondContact O-N 3.38Å; I397-L400 HydrophobicContact CB-CB 4.12Å; I397-L400 HydrophobicContact CB-CD2 4.16Å; I397-L400 HydrophobicContact CD1-CD2 4.21Å; I397-L400 HydrophobicContact CG2-CB 3.86Å; I397-L400 HydrophobicContact CG2-CD2 4.36Å; I397-L400 PolarHBondContact O-N 3.3Å; I397-W456 HydrophobicContact CD1-CH2 4.23Å; I397-V514 HydrophobicContact CD1-CG1 4.06Å; I397-V514 HydrophobicContact CD1-CG2 3.99Å; I397-V514 HydrophobicContact CG1-CG2 4.37Å
398S91.9Very high91.4Very high39 Ų3970.7 Ų70.727%0.27337%0.369SS..EExtended strand (participates in β ladder)trans-68.1115.9-175.3-600000111.2F386 R388 H396F386-S398 PolarHBondContact N-O 2.93Å; F386-S398 WeakPolarHBondContact O-CB 3.4Å; F386-S398 PolarHBondContact O-N 2.71Å; F386-S398 PolarHBondContact O-OG 3.34Å; R388-S398 WeakPolarHBondContact CD-OG 3.15Å; H396-S398 PolarHBondContact O-N 3.44Å
399G88.9Confident91.4Very high42 Ų4267 Ų6743%0.43337%0.366SS..THydrogen-bonded Turntrans91.56.6176.300000115.7L385 I397L385-G399 VanDerWaalsContact CD2-O 3.3Å; L385-G399 WeakPolarHBondContact CD2-O 3.43Å; I397-G399 PolarHBondContact O-N 3.38Å
400L92.4Very high91.6Very high27 Ų2765.5 Ų65.514%0.14136%0.362CS..PPolyproline II helixtrans-64.6135.1172.5175.960.3000110.3F367 L385 I397F367-L400 HydrophobicContact CB-CD1 4.09Å; F367-L400 HydrophobicContact CD1-CD1 3.61Å; F367-L400 HydrophobicContact CD1-CD2 3.88Å; F367-L400 HydrophobicContact CD1-CG 4.43Å; F367-L400 HydrophobicContact CE1-CD1 4.46Å; F367-L400 HydrophobicContact CE1-CD2 3.91Å; F367-L400 HydrophobicContact CG-CD1 4.22Å; L385-L400 HydrophobicContact CD1-CB 4.1Å; L385-L400 HydrophobicContact CD1-CD1 3.81Å; I397-L400 HydrophobicContact CB-CB 4.12Å; I397-L400 HydrophobicContact CB-CD2 4.16Å; I397-L400 HydrophobicContact CD1-CD2 4.21Å; I397-L400 HydrophobicContact CG2-CB 3.86Å; I397-L400 HydrophobicContact CG2-CD2 4.36Å; I397-L400 PolarHBondContact O-N 3.3Å
401R91.5Very high91.6Very high117 Ų11762.7 Ų62.744%0.44235%0.348SS..PPolyproline II helixtrans-84.8121.9177.4-173.3171.4174.7166.5-6.9111.1D376 E379 I403D376-R401 WeakPolarHBondContact OD2-CB 3.34Å; D376-R401 PolarHBondContact OD2-N 3.45Å; E379-R401 IonicContact OE2-CZ 3.93Å; E379-R401 IonicContact OE2-NH1 3.75Å; E379-R401 PolarHBondContact OE2-NH1 2.86Å; R401-I403 HydrophobicContact CG-CG1 4.19Å
402D93Very high91.7Very high59 Ų5962.1 Ų62.132%0.31632%0.323SS..PPolyproline II helixtrans-92.6126.9165.1-61.9-47.1000109.5Y363 S365 Q443 R445Y363-D402 HydrophobicContact CD1-CB 4.03Å; S365-D402 PolarHBondContact OG-OD1 2.96Å; D402-Q443 PolarHBondContact OD1-NE2 3.5Å; D402-R445 VanDerWaalsContact CG-NH2 3.3Å; D402-R445 IonicContact OD1-NH2 2.78Å; D402-R445 PolarHBondContact OD1-NH2 3.49Å; D402-R445 IonicContact OD2-CZ 2.75Å; D402-R445 IonicContact OD2-NH1 3.61Å; D402-R445 PolarHBondContact OD2-NH1 3.02Å; D402-R445 IonicContact OD2-NH2 2.69Å; D402-R445 PolarHBondContact OD2-NH2 3.22Å
403I94.7Very high92Very high32 Ų3259.6 Ų59.616%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-107.6128.2171.9-61.8-170000108.4Y363 V364 L378 R401 V414Y363-I403 CarbonylContact C-O 3.58Å; Y363-I403 WeakPolarHBondContact CA-O 3.43Å; V364-I403 PolarHBondContact N-O 2.95Å; V364-I403 PolarHBondContact O-N 3.1Å; L378-I403 HydrophobicContact CB-CD1 4.2Å; L378-I403 HydrophobicContact CD1-CD1 3.86Å; L378-I403 HydrophobicContact CD1-CG1 4.05Å; L378-I403 HydrophobicContact CG-CD1 4.47Å; R401-I403 HydrophobicContact CG-CG1 4.19Å; I403-V414 HydrophobicContact CD1-CG2 4.32Å; I403-V414 HydrophobicContact CG2-CG2 3.98Å
404R95.4Very high92.3Very high116 Ų11653 Ų5344%0.43829%0.286SS..EExtended strand (participates in β ladder)trans-70.2133.5168.3173.5179.9166.6160.71.2108.5V362 Y363 D406V362-R404 WeakPolarHBondContact O-CA 3.44Å; Y363-R404 HydrophobicContact CD1-CB 4.19Å; Y363-R404 HydrophobicContact CE1-CB 3.9Å; R404-D406 IonicContact CZ-OD1 3.75Å; R404-D406 IonicContact CZ-OD2 3.96Å; R404-D406 VanDerWaalsContact NE-CG 3.33Å; R404-D406 IonicContact NE-OD1 2.68Å; R404-D406 PolarHBondContact NE-OD1 2.88Å; R404-D406 IonicContact NE-OD2 3.75Å; R404-D406 PolarHBondContact NE-OD2 2.85Å; R404-D406 IonicContact NH2-OD1 3.2Å; R404-D406 PolarHBondContact NH2-OD1 3.41Å; R404-D406 IonicContact NH2-OD2 3.73Å
405V95.8Very high92.5Very high0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-119.4139.7170.7-60.90000109.4F350 V362 V364 V414F350-V405 HydrophobicContact CZ-CG2 4.29Å; F350-V405 WeakPolarHBondContact CZ-O 3.42Å; V362-V405 HydrophobicContact CB-CG2 3.99Å; V362-V405 HydrophobicContact CG1-CG2 3.69Å; V362-V405 PolarHBondContact O-N 3.07Å; V364-V405 HydrophobicContact CB-CG1 4.25Å; V364-V405 HydrophobicContact CG2-CB 4.42Å; V364-V405 HydrophobicContact CG2-CG1 3.91Å; V364-V405 HydrophobicContact CG2-CG2 3.57Å; V405-V414 HydrophobicContact CG1-CG2 4.34Å
406D93.2Very high92.4Very high96 Ų9654.1 Ų54.151%0.51330%0.296SS..  trans-118.11.1-178.1-67-73.9000112.5R404R404-D406 IonicContact CZ-OD1 3.75Å; R404-D406 IonicContact CZ-OD2 3.96Å; R404-D406 VanDerWaalsContact NE-CG 3.33Å; R404-D406 IonicContact NE-OD1 2.68Å; R404-D406 PolarHBondContact NE-OD1 2.88Å; R404-D406 IonicContact NE-OD2 3.75Å; R404-D406 PolarHBondContact NE-OD2 2.85Å; R404-D406 IonicContact NH2-OD1 3.2Å; R404-D406 PolarHBondContact NH2-OD1 3.41Å; R404-D406 IonicContact NH2-OD2 3.73Å
407S92.9Very high92.3Very high48 Ų4853.4 Ų53.434%0.33629%0.293SS..SBendtrans-156.2164.5176.573.20000112.6S409 S410 L411S407-S409 VanDerWaalsContact C-N 3.28Å; S407-S409 PolarHBondContact O-N 2.93Å; S407-S409 PolarHBondContact OG-N 3.35Å; S407-S410 PolarHBondContact O-N 2.76Å; S407-S410 WeakPolarHBondContact OG-CB 3.42Å; S407-S410 PolarHBondContact OG-N 3.05Å; S407-L411 PolarHBondContact O-N 3.44Å; S407-L411 VanDerWaalsContact O-N 3.16Å
408V92.2Very high92.1Very high43 Ų4352.1 Ų52.126%0.26129%0.286SS..Hα-helixtrans-64-34.1172.7-175.40000111.3A343 V346 R347 F350 L411 L412A343-V408 HydrophobicContact CB-CG1 3.91Å; V346-V408 HydrophobicContact CG1-CG2 4.33Å; R347-V408 HydrophobicContact CB-CG2 4.13Å; F350-V408 HydrophobicContact CD2-CG2 4.33Å; V408-L411 WeakPolarHBondContact O-CB 3.44Å; V408-L411 PolarHBondContact O-N 2.8Å; V408-L412 HydrophobicContact CG1-CD1 4.28Å; V408-L412 WeakPolarHBondContact O-CG 3.21Å; V408-L412 PolarHBondContact O-N 3.47Å
409S92.3Very high91.8Very high75 Ų7551.7 Ų51.752%0.52428%0.282SS..Hα-helixtrans-64.5-45.8175.4-47.20000111.7S407 L411 L412 E413S407-S409 VanDerWaalsContact C-N 3.28Å; S407-S409 PolarHBondContact O-N 2.93Å; S407-S409 PolarHBondContact OG-N 3.35Å; S409-L411 VanDerWaalsContact C-N 3.29Å; S409-L411 PolarHBondContact O-N 2.92Å; S409-L412 PolarHBondContact O-N 2.74Å; S409-E413 WeakPolarHBondContact O-CG 3.38Å; S409-E413 PolarHBondContact O-N 2.81Å
410S93.6Very high91.6Very high28 Ų2851.8 Ų51.820%0.19628%0.279CS..Hα-helixtrans-60.6-37.9176.6176.20000112.1S407 V414S407-S410 PolarHBondContact O-N 2.76Å; S407-S410 WeakPolarHBondContact OG-CB 3.42Å; S407-S410 PolarHBondContact OG-N 3.05Å; S410-V414 WeakPolarHBondContact O-CG2 3.39Å; S410-V414 PolarHBondContact O-N 2.96Å; S410-V414 VanDerWaalsContact O-N 3.16Å
411L92.3Very high91.3Very high0 Ų051.5 Ų51.50%028%0.277CS..Hα-helixtrans-60.9-49.7169.4178.586000111.7A343 V346 V364 S407 V408 S409 E413 V414 I415A343-L411 HydrophobicContact CB-CD2 4.32Å; V346-L411 HydrophobicContact CB-CD2 3.69Å; V346-L411 HydrophobicContact CG1-CB 4.37Å; V346-L411 HydrophobicContact CG1-CD2 4.06Å; V346-L411 HydrophobicContact CG2-CD1 3.98Å; V346-L411 HydrophobicContact CG2-CD2 3.54Å; V346-L411 HydrophobicContact CG2-CG 4.28Å; V364-L411 HydrophobicContact CB-CD1 4.42Å; V364-L411 HydrophobicContact CG1-CD1 4.04Å; V364-L411 HydrophobicContact CG2-CD1 3.58Å; S407-L411 PolarHBondContact O-N 3.44Å; S407-L411 VanDerWaalsContact O-N 3.16Å; V408-L411 WeakPolarHBondContact O-CB 3.44Å; V408-L411 PolarHBondContact O-N 2.8Å; S409-L411 VanDerWaalsContact C-N 3.29Å; S409-L411 PolarHBondContact O-N 2.92Å; L411-E413 VanDerWaalsContact C-N 3.26Å; L411-E413 PolarHBondContact O-N 2.67Å; L411-V414 PolarHBondContact O-N 2.72Å; L411-I415 HydrophobicContact CD1-CD1 3.89Å; L411-I415 HydrophobicContact CD1-CG1 4.4Å; L411-I415 HydrophobicContact CD2-CD1 3.82Å; L411-I415 HydrophobicContact CG-CD1 3.55Å; L411-I415 HydrophobicContact CG-CG1 4.24Å; L411-I415 WeakPolarHBondContact O-CB 3.35Å; L411-I415 VanDerWaalsContact O-CG1 3.31Å; L411-I415 WeakPolarHBondContact O-CG1 3.5Å; L411-I415 PolarHBondContact O-N 3.43Å
412L91.1Very high90.9Very high78 Ų7846.1 Ų46.141%0.40826%0.257SS..Hα-helixtrans-62.5-33.9-177.6-74.3169.7000112A343 V408 S409 S416A343-L412 HydrophobicContact CB-CD1 4.5Å; A343-L412 HydrophobicContact CB-CD2 3.92Å; A343-L412 HydrophobicContact CB-CG 4.27Å; V408-L412 HydrophobicContact CG1-CD1 4.28Å; V408-L412 WeakPolarHBondContact O-CG 3.21Å; V408-L412 PolarHBondContact O-N 3.47Å; S409-L412 PolarHBondContact O-N 2.74Å; L412-S416 WeakPolarHBondContact O-CB 2.88Å; L412-S416 PolarHBondContact O-N 3.08Å
413E91.7Very high89.6Confident127 Ų12747 Ų4759%0.59326%0.264SS*.Hα-helixtrans-62.6-51.4171.2-71159.7-154.900111.8S409 L411 I415 S416 Q417S409-E413 WeakPolarHBondContact O-CG 3.38Å; S409-E413 PolarHBondContact O-N 2.81Å; L411-E413 VanDerWaalsContact C-N 3.26Å; L411-E413 PolarHBondContact O-N 2.67Å; E413-I415 VanDerWaalsContact C-N 3.33Å; E413-I415 PolarHBondContact O-N 2.82Å; E413-S416 WeakPolarHBondContact O-CB 3.44Å; E413-S416 PolarHBondContact O-N 3.24Å; E413-Q417 PolarHBondContact O-N 2.78Å
414V92.6Very high88Confident12 Ų1252.4 Ų52.47%0.07329%0.289CS..Hα-helixtrans-58.9-42.8177.5168.40000111.6V364 L378 I403 V405 S410 L411 G418V364-V414 HydrophobicContact CG1-CG1 4.12Å; L378-V414 HydrophobicContact CD1-CG1 3.97Å; L378-V414 HydrophobicContact CD2-CG1 3.64Å; L378-V414 WeakPolarHBondContact CD2-O 3.35Å; L378-V414 HydrophobicContact CG-CG1 4.47Å; I403-V414 HydrophobicContact CD1-CG2 4.32Å; I403-V414 HydrophobicContact CG2-CG2 3.98Å; V405-V414 HydrophobicContact CG1-CG2 4.34Å; S410-V414 WeakPolarHBondContact O-CG2 3.39Å; S410-V414 PolarHBondContact O-N 2.96Å; S410-V414 VanDerWaalsContact O-N 3.16Å; L411-V414 PolarHBondContact O-N 2.72Å; V414-G418 PolarHBondContact O-N 3.44Å; V414-G418 VanDerWaalsContact O-N 3.1Å
415I91Very high86.1Confident1 Ų147.9 Ų47.91%0.00528%0.278CS..Hα-helixtrans-71.5-37.3177.9-65.7174.4000111.5L332 Y342 F366 L411 E413 G418 T419 L440L332-I415 HydrophobicContact CD1-CG2 3.36Å; Y342-I415 HydrophobicContact CD2-CD1 3.73Å; Y342-I415 HydrophobicContact CD2-CG2 4.05Å; Y342-I415 HydrophobicContact CE2-CG2 4.25Å; Y342-I415 HydrophobicContact CG-CD1 4.09Å; F366-I415 HydrophobicContact CE1-CG2 4.44Å; L411-I415 HydrophobicContact CD1-CD1 3.89Å; L411-I415 HydrophobicContact CD1-CG1 4.4Å; L411-I415 HydrophobicContact CD2-CD1 3.82Å; L411-I415 HydrophobicContact CG-CD1 3.55Å; L411-I415 HydrophobicContact CG-CG1 4.24Å; L411-I415 WeakPolarHBondContact O-CB 3.35Å; L411-I415 VanDerWaalsContact O-CG1 3.31Å; L411-I415 WeakPolarHBondContact O-CG1 3.5Å; L411-I415 PolarHBondContact O-N 3.43Å; E413-I415 VanDerWaalsContact C-N 3.33Å; E413-I415 PolarHBondContact O-N 2.82Å; I415-G418 PolarHBondContact O-N 3.28Å; I415-T419 VanDerWaalsContact O-CB 3.23Å; I415-T419 WeakPolarHBondContact O-CB 3.44Å; I415-T419 PolarHBondContact O-N 3.49Å; I415-T419 PolarHBondContact O-OG1 3.02Å; I415-L440 HydrophobicContact CD1-CD1 4.43Å; I415-L440 HydrophobicContact CD1-CD2 3.67Å; I415-L440 HydrophobicContact CG1-CD1 4.12Å; I415-L440 HydrophobicContact CG1-CD2 4.23Å
416S89.2Confident83.7Confident77 Ų7754.4 Ų54.454%0.53832%0.318SS..Hα-helixtrans-62.2-47.9174.9-176.60000111L412 E413 G418 T419 A420L412-S416 WeakPolarHBondContact O-CB 2.88Å; L412-S416 PolarHBondContact O-N 3.08Å; E413-S416 WeakPolarHBondContact O-CB 3.44Å; E413-S416 PolarHBondContact O-N 3.24Å; S416-G418 PolarHBondContact O-N 3.02Å; S416-T419 PolarHBondContact O-N 2.94Å; S416-A420 WeakPolarHBondContact O-CB 3.41Å; S416-A420 PolarHBondContact O-N 2.6Å
417Q89.4Confident81.4Confident77 Ų7751.3 Ų51.336%0.3630%0.304SS..Hα-helixtrans-55.1-52.7174.4-176.6-171.3-5.800111.1E413 T419 A420 E421E413-Q417 PolarHBondContact O-N 2.78Å; Q417-T419 VanDerWaalsContact C-N 3.3Å; Q417-T419 PolarHBondContact O-N 3.38Å; Q417-A420 PolarHBondContact O-N 3.25Å; Q417-E421 PolarHBondContact O-N 2.94Å
418G89.1Confident78.8Confident0 Ų053.4 Ų53.40%033%0.333CS..Hα-helixtrans-67.8-26.8-17900000114.2V414 I415 S416 R422V414-G418 PolarHBondContact O-N 3.44Å; V414-G418 VanDerWaalsContact O-N 3.1Å; I415-G418 PolarHBondContact O-N 3.28Å; S416-G418 PolarHBondContact O-N 3.02Å; G418-R422 VanDerWaalsContact O-CB 3.28Å; G418-R422 WeakPolarHBondContact O-CB 3.41Å; G418-R422 PolarHBondContact O-N 2.97Å
419T86.1Confident76.3Confident31 Ų3156.6 Ų56.619%0.1935%0.352CS..Hα-helixtrans-78.3-37.8175.8-58.90000111.6L332 I415 S416 Q417 R422 T423L332-T419 HydrophobicContact CD2-CG2 3.95Å; I415-T419 VanDerWaalsContact O-CB 3.23Å; I415-T419 WeakPolarHBondContact O-CB 3.44Å; I415-T419 PolarHBondContact O-N 3.49Å; I415-T419 PolarHBondContact O-OG1 3.02Å; S416-T419 PolarHBondContact O-N 2.94Å; Q417-T419 VanDerWaalsContact C-N 3.3Å; Q417-T419 PolarHBondContact O-N 3.38Å; T419-R422 PolarHBondContact O-N 2.87Å; T419-T423 WeakPolarHBondContact O-CB 3.34Å; T419-T423 PolarHBondContact O-N 3.24Å; T419-T423 PolarHBondContact O-OG1 3.04Å
420A84.8Confident74.1Confident43 Ų4356.8 Ų56.836%0.35535%0.347SS..Hα-helixtrans-61.2-47.9170.800000110.2S416 Q417 T423 Q424S416-A420 WeakPolarHBondContact O-CB 3.41Å; S416-A420 PolarHBondContact O-N 2.6Å; Q417-A420 PolarHBondContact O-N 3.25Å; A420-T423 PolarHBondContact O-N 3.41Å; A420-Q424 WeakPolarHBondContact O-CG 3.46Å; A420-Q424 PolarHBondContact O-N 2.83Å; A420-Q424 VanDerWaalsContact O-N 3.14Å
421E84.6Confident72.4Confident22 Ų2259.2 Ų59.210%0.10336%0.362CS..Hα-helixtrans-56.4-55172.4-17757.2-12700110.6L377 H380 R381 Q417 T423 Q424L377-E421 HydrophobicContact CD2-CB 4.41Å; L377-E421 HydrophobicContact CD2-CG 4.08Å; H380-E421 VanDerWaalsContact CA-OE2 3.32Å; H380-E421 WeakPolarHBondContact CA-OE2 3.4Å; H380-E421 IonicContact CG-OE2 2.72Å; H380-E421 IonicContact ND1-OE2 3.14Å; H380-E421 PolarHBondContact ND1-OE2 2.73Å; R381-E421 HydrophobicContact CG-CG 4.08Å; R381-E421 WeakPolarHBondContact CG-OE1 3.15Å; R381-E421 IonicContact CZ-OE1 2.69Å; R381-E421 IonicContact NE-OE1 3.28Å; R381-E421 PolarHBondContact NH1-O 2.97Å; R381-E421 IonicContact NH1-OE1 3.69Å; R381-E421 PolarHBondContact NH1-OE1 3.47Å; Q417-E421 PolarHBondContact O-N 2.94Å; E421-T423 PolarHBondContact O-N 2.86Å; E421-Q424 PolarHBondContact O-N 2.69Å
422R84.1Confident70.9Confident4 Ų459.4 Ų59.42%0.01536%0.364CS..Hα-helixtrans-47.4-43.8177.5-173.9176.2-178.3-156.66.2111.6L377 R381 G418 T419 L432 S433 S436 A438 D459L377-R422 HydrophobicContact CD1-CB 4.35Å; L377-R422 HydrophobicContact CD2-CB 4.04Å; R381-R422 PolarHBondContact NH2-O 3.06Å; G418-R422 VanDerWaalsContact O-CB 3.28Å; G418-R422 WeakPolarHBondContact O-CB 3.41Å; G418-R422 PolarHBondContact O-N 2.97Å; T419-R422 PolarHBondContact O-N 2.87Å; R422-L432 WeakPolarHBondContact O-CB 3.46Å; R422-L432 VanDerWaalsContact O-CD2 3.23Å; R422-L432 WeakPolarHBondContact O-CD2 3.48Å; R422-S433 PolarHBondContact NH2-O 3.25Å; R422-S433 VanDerWaalsContact NH2-O 3.08Å; R422-S436 PolarHBondContact NE-OG 3.05Å; R422-S436 PolarHBondContact NH2-O 3.31Å; R422-A438 VanDerWaalsContact CZ-CB 3.43Å; R422-D459 IonicContact CZ-OD2 2.74Å; R422-D459 IonicContact NH1-OD2 3.99Å; R422-D459 PolarHBondContact NH1-OD2 3.37Å; R422-D459 PolarHBondContact NH2-O 3.23Å; R422-D459 IonicContact NH2-OD2 2.73Å; R422-D459 PolarHBondContact NH2-OD2 3.16Å
423T66.4Low69.6Low76 Ų7657.3 Ų57.347%0.46636%0.355SS..Hα-helixtrans-71.6-32-176.7-54.10000114T419 A420 E421 G425T419-T423 WeakPolarHBondContact O-CB 3.34Å; T419-T423 PolarHBondContact O-N 3.24Å; T419-T423 PolarHBondContact O-OG1 3.04Å; A420-T423 PolarHBondContact O-N 3.41Å; E421-T423 PolarHBondContact O-N 2.86Å; T423-G425 PolarHBondContact O-N 3.12Å; T423-G425 VanDerWaalsContact O-N 3.1Å
424Q61Low68.7Low147 Ų14751.8 Ų51.869%0.68733%0.331SS*.THydrogen-bonded Turntrans-78.917.6-173.2-72.3178.520.100115.5A420 E421A420-Q424 WeakPolarHBondContact O-CG 3.46Å; A420-Q424 PolarHBondContact O-N 2.83Å; A420-Q424 VanDerWaalsContact O-N 3.14Å; E421-Q424 PolarHBondContact O-N 2.69Å
425G55.8Low68.2Low20 Ų2052.9 Ų52.921%0.20633%0.334CS..  trans-63154.9-17900000114.6T423 S427T423-G425 PolarHBondContact O-N 3.12Å; T423-G425 VanDerWaalsContact O-N 3.1Å; G425-S427 PolarHBondContact O-N 2.9Å
426T45.3Very low68.1Low138 Ų13852.9 Ų52.985%0.84733%0.333SS*.SBendtrans-74.738.6-162.645.70000116.4
427S43.6Very low68.3Low31 Ų3149.3 Ų49.322%0.21731%0.308CS..  trans-152.488.6174.6-80.40000112.5G425 V429G425-S427 PolarHBondContact O-N 2.9Å; S427-V429 PolarHBondContact O-N 3.24Å
428G38.8Very low68.5Low92 Ų9245.7 Ų45.795%0.94829%0.291SS*.THydrogen-bonded Turntrans-70.548-178.200000115.8
429V40.5Very low68.8Low109 Ų10945.7 Ų45.766%0.66129%0.291SS*.THydrogen-bonded Turntrans-123.9-22.5178-174.20000111.7S427S427-V429 PolarHBondContact O-N 3.24Å
430N45.1Very low69.2Low79 Ų7944.2 Ų44.242%0.42228%0.282SS..SBendtrans-145.8150.7175.5-80.9-85.7000111L432 R435N430-L432 PolarHBondContact O-N 2.92Å; N430-R435 PolarHBondContact ND2-NH2 2.91Å
431P58.2Low69.7Low79 Ų7942.5 Ų42.551%0.51327%0.267SS..  trans-66118.1175.327.6-34000110.5S433 S434P431-S433 PolarHBondContact O-N 3.14Å; P431-S434 WeakPolarHBondContact O-CB 3.28Å; P431-S434 PolarHBondContact O-N 2.92Å; P431-S434 PolarHBondContact O-OG 2.86Å
432L60.8Low70.3Confident5 Ų541.5 Ų41.53%0.02626%0.262CS..G310 helixtrans-63-20.4-168.7-150.393.9000114.4Y370 R381 R422 N430 S434 R435 S436Y370-L432 HydrophobicContact CE2-CD1 4.39Å; R381-L432 VanDerWaalsContact NH2-CD2 3.28Å; R422-L432 WeakPolarHBondContact O-CB 3.46Å; R422-L432 VanDerWaalsContact O-CD2 3.23Å; R422-L432 WeakPolarHBondContact O-CD2 3.48Å; N430-L432 PolarHBondContact O-N 2.92Å; L432-S434 PolarHBondContact O-N 3.2Å; L432-R435 WeakPolarHBondContact O-CA 3.4Å; L432-R435 PolarHBondContact O-N 2.84Å; L432-S436 PolarHBondContact O-N 2.85Å
433S64.5Low70.8Confident34 Ų3441.4 Ų41.424%0.23826%0.262CS..G310 helixtrans-59.6-21172.552.20000113.9R422 P431 R435R422-S433 PolarHBondContact NH2-O 3.25Å; R422-S433 VanDerWaalsContact NH2-O 3.08Å; P431-S433 PolarHBondContact O-N 3.14Å; S433-R435 VanDerWaalsContact C-N 3.26Å; S433-R435 PolarHBondContact O-N 3.36Å
434S72.9Confident72.2Confident11 Ų1137.8 Ų37.88%0.07724%0.24CC..G310 helixtrans-71-19.8169.356.50000113.7T323 P431 L432 A461 G462T323-S434 WeakPolarHBondContact OG1-CB 3.41Å; P431-S434 WeakPolarHBondContact O-CB 3.28Å; P431-S434 PolarHBondContact O-N 2.92Å; P431-S434 PolarHBondContact O-OG 2.86Å; L432-S434 PolarHBondContact O-N 3.2Å; S434-A461 WeakPolarHBondContact O-CB 3.46Å; S434-G462 PolarHBondContact O-N 2.64Å
435R81.1Confident73.8Confident35 Ų3532.3 Ų32.313%0.13221%0.213CC..THydrogen-bonded Turntrans-121.2-6.4-163.5-52.1-162.3178.3-178.9-8.4116Y370 N430 L432 S433 S476 E479 I483Y370-R435 HydrophobicContact CE2-CB 4.49Å; N430-R435 PolarHBondContact ND2-NH2 2.91Å; L432-R435 WeakPolarHBondContact O-CA 3.4Å; L432-R435 PolarHBondContact O-N 2.84Å; S433-R435 VanDerWaalsContact C-N 3.26Å; S433-R435 PolarHBondContact O-N 3.36Å; R435-S476 PolarHBondContact NH1-OG 3.45Å; R435-S476 PolarHBondContact NH2-OG 2.81Å; R435-E479 WeakPolarHBondContact CD-OE2 3.49Å; R435-E479 IonicContact CZ-OE2 3.46Å; R435-E479 IonicContact NE-OE2 3.24Å; R435-E479 IonicContact NH1-OE1 2.67Å; R435-E479 IonicContact NH1-OE2 3.67Å; R435-E479 PolarHBondContact NH1-OE2 2.93Å; R435-I483 HydrophobicContact CB-CD1 4.08Å
436S88.3Confident75.6Confident0 Ų033.2 Ų33.20%021%0.213CC..SBendtrans-119.3141.3169.171.40000110.8E368 I369 R422 L432E368-S436 WeakPolarHBondContact OE2-CB 3.21Å; E368-S436 PolarHBondContact OE2-OG 2.66Å; I369-S436 WeakPolarHBondContact O-CA 3.39Å; R422-S436 PolarHBondContact NE-OG 3.05Å; R422-S436 PolarHBondContact NH2-O 3.31Å; L432-S436 PolarHBondContact O-N 2.85Å
437H93.1Very high77.6Confident3 Ų332 Ų321%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-80.3122.4167.6-52.2-79.7000107.7E368 I369 L439 L460 A461 S486 L511E368-H437 CarbonylContact C-O 3.58Å; E368-H437 WeakPolarHBondContact CA-O 3.32Å; I369-H437 HydrophobicContact CB-CB 4.38Å; I369-H437 PolarHBondContact N-O 3.42Å; I369-H437 PolarHBondContact O-N 2.91Å; H437-L439 HydrophobicContact CB-CD1 4.28Å; H437-L460 HydrophobicContact CB-CD2 4.4Å; H437-L460 WeakPolarHBondContact ND1-CA 3.27Å; H437-L460 VanDerWaalsContact ND1-CD2 3.34Å; H437-L460 WeakPolarHBondContact ND1-CD2 3.5Å; H437-A461 PolarHBondContact ND1-N 3.44Å; H437-S486 PolarHBondContact NE2-OG 3.37Å; H437-L511 HydrophobicContact CB-CD1 4.32Å
438A93.5Very high79.8Confident0 Ų036.3 Ų36.30%022%0.221CC..EExtended strand (participates in β ladder)trans-101.2134.117600000110.9F366 R422 V458 D459F366-A438 HydrophobicContact CE2-CB 4Å; F366-A438 HydrophobicContact CZ-CB 4.45Å; R422-A438 VanDerWaalsContact CZ-CB 3.43Å; A438-V458 WeakPolarHBondContact O-CA 3.45Å; A438-D459 PolarHBondContact N-O 2.91Å; A438-D459 PolarHBondContact O-N 2.9Å
439L95.3Very high82.1Confident0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-122.5107.4-177.3-69.489.5000109.1F367 I369 H437 W456 F457 V458 V514 L515F367-L439 HydrophobicContact CD2-CB 4.39Å; F367-L439 HydrophobicContact CE1-CB 4.04Å; F367-L439 HydrophobicContact CE2-CB 3.85Å; F367-L439 HydrophobicContact CE2-CD1 3.95Å; F367-L439 HydrophobicContact CE2-CD2 4.14Å; F367-L439 HydrophobicContact CE2-CG 4.19Å; F367-L439 HydrophobicContact CZ-CB 3.64Å; F367-L439 HydrophobicContact CZ-CD1 4.48Å; F367-L439 HydrophobicContact CZ-CD2 3.94Å; F367-L439 HydrophobicContact CZ-CG 4.22Å; F367-L439 PolarHBondContact N-O 2.8Å; F367-L439 PolarHBondContact O-N 2.94Å; I369-L439 HydrophobicContact CD1-CD1 3.92Å; I369-L439 HydrophobicContact CG1-CD1 3.96Å; H437-L439 HydrophobicContact CB-CD1 4.28Å; L439-W456 HydrophobicContact CB-CE3 4.37Å; L439-W456 HydrophobicContact CB-CZ3 4.25Å; L439-F457 WeakPolarHBondContact CA-O 3.37Å; L439-V458 HydrophobicContact CD2-CG2 4.21Å; L439-V458 HydrophobicContact CG-CG1 4.19Å; L439-V458 HydrophobicContact CG-CG2 4.2Å; L439-V514 HydrophobicContact CD2-CG1 3.87Å; L439-L515 HydrophobicContact CD2-CD2 4.15Å
440L95.8Very high84.4Confident0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-91.5121170.7-175.370.2000108.6Y342 V364 F366 I415 I442 F457Y342-L440 HydrophobicContact CD1-CD2 3.61Å; Y342-L440 HydrophobicContact CD2-CD2 3.85Å; Y342-L440 HydrophobicContact CE1-CB 4.26Å; Y342-L440 HydrophobicContact CE1-CD2 3.94Å; Y342-L440 HydrophobicContact CE2-CD2 4.13Å; Y342-L440 HydrophobicContact CG-CD2 3.54Å; V364-L440 HydrophobicContact CG1-CD1 3.66Å; F366-L440 HydrophobicContact CB-CD1 3.87Å; F366-L440 HydrophobicContact CD1-CD1 4.47Å; F366-L440 HydrophobicContact CD2-CB 3.96Å; F366-L440 HydrophobicContact CD2-CD1 3.82Å; F366-L440 HydrophobicContact CE2-CB 4.17Å; F366-L440 HydrophobicContact CE2-CD1 4.47Å; F366-L440 HydrophobicContact CG-CD1 3.83Å; I415-L440 HydrophobicContact CD1-CD1 4.43Å; I415-L440 HydrophobicContact CD1-CD2 3.67Å; I415-L440 HydrophobicContact CG1-CD1 4.12Å; I415-L440 HydrophobicContact CG1-CD2 4.23Å; L440-I442 HydrophobicContact CG-CG1 4.5Å; L440-F457 HydrophobicContact CB-CB 4.46Å; L440-F457 PolarHBondContact N-O 2.56Å; L440-F457 PolarHBondContact O-N 2.78Å
441Q95.7Very high86.6Confident8 Ų838 Ų384%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-100.5135.7174.6-155.5177.83.600109.4V364 S365 Q443 R454 W456V364-Q441 WeakPolarHBondContact CA-O 3.34Å; S365-Q441 PolarHBondContact N-O 3.37Å; S365-Q441 WeakPolarHBondContact O-CB 3.41Å; S365-Q441 PolarHBondContact O-N 3.48Å; S365-Q441 PolarHBondContact OG-OE1 2.78Å; Q441-Q443 HydrophobicContact CG-CG 3.9Å; Q441-R454 HydrophobicContact CG-CG 4.47Å; Q441-W456 HydrophobicContact CB-CE3 3.74Å; Q441-W456 HydrophobicContact CB-CH2 3.98Å; Q441-W456 HydrophobicContact CB-CZ3 3.44Å; Q441-W456 VanDerWaalsContact CB-CZ3 3.44Å; Q441-W456 HydrophobicContact CG-CD2 4Å; Q441-W456 HydrophobicContact CG-CE3 3.69Å; Q441-W456 HydrophobicContact CG-CH2 3.61Å; Q441-W456 HydrophobicContact CG-CZ2 3.92Å; Q441-W456 HydrophobicContact CG-CZ3 3.5Å; Q441-W456 VanDerWaalsContact CG-CZ3 3.5Å
442I96.3Very high88.2Confident0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-126.2129.7168.1-47.3179.6000107.5V346 I349 V362 Y363 L440 R454 I455 F457V346-I442 HydrophobicContact CG2-CD1 3.57Å; I349-I442 HydrophobicContact CD1-CG2 4.22Å; V362-I442 HydrophobicContact CG1-CG2 3.8Å; Y363-I442 WeakPolarHBondContact O-CA 3.48Å; L440-I442 HydrophobicContact CG-CG1 4.5Å; I442-R454 WeakPolarHBondContact O-CA 3.4Å; I442-I455 HydrophobicContact CB-CG2 3.78Å; I442-I455 HydrophobicContact CD1-CG2 4.42Å; I442-I455 HydrophobicContact CG1-CG2 4.35Å; I442-I455 PolarHBondContact N-O 3.49Å; I442-I455 PolarHBondContact O-N 2.98Å; I442-F457 HydrophobicContact CD1-CD2 4.31Å; I442-F457 HydrophobicContact CD1-CE2 4Å
443Q95.5Very high89.8Confident2 Ų236 Ų361%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-132.1125.7-172.1-61178.284.100109.4Y363 S365 D402 Q441 R445 R454Y363-Q443 PolarHBondContact N-O 2.64Å; Y363-Q443 PolarHBondContact O-N 3.18Å; S365-Q443 PolarHBondContact OG-NE2 3.17Å; S365-Q443 VanDerWaalsContact OG-NE2 3.11Å; D402-Q443 PolarHBondContact OD1-NE2 3.5Å; Q441-Q443 HydrophobicContact CG-CG 3.9Å; Q443-R445 VanDerWaalsContact CD-NH2 3.32Å; Q443-R445 VanDerWaalsContact NE2-NH2 3.11Å; Q443-R445 VanDerWaalsContact OE1-NH2 3.08Å; Q443-R454 HydrophobicContact CG-CG 4.25Å
444L95.4Very high91.2Very high1 Ų136.3 Ų36.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-85.9127167.3-56.6-177.6000108.2M309 L310 I349 L353 L360 V362 I451 A452 G453M309-L444 HydrophobicContact CE-CD1 3.81Å; M309-L444 HydrophobicContact CE-CD2 4.2Å; M309-L444 HydrophobicContact CE-CG 3.86Å; M309-L444 HydrophobicContact CG-CD1 4.5Å; M309-L444 HydrophobicContact SD-CD1 4.5Å; M309-L444 HydrophobicContact SD-CG 4.22Å; L310-L444 HydrophobicContact CD2-CD1 3.8Å; L310-L444 HydrophobicContact CG-CD1 4.43Å; I349-L444 HydrophobicContact CG2-CD2 3.83Å; L353-L444 HydrophobicContact CD1-CD2 4.43Å; L360-L444 HydrophobicContact CD1-CB 4.38Å; L360-L444 HydrophobicContact CD1-CD1 4.27Å; V362-L444 HydrophobicContact CG2-CD2 4.06Å; L444-I451 CarbonylContact O-C 3.54Å; L444-I451 WeakPolarHBondContact O-CA 3.5Å; L444-A452 HydrophobicContact CB-CB 4.27Å; L444-A452 PolarHBondContact O-N 3.08Å; L444-G453 PolarHBondContact N-O 2.73Å; L444-G453 PolarHBondContact O-N 2.88Å
445R95.2Very high92.3Very high32 Ų3235.8 Ų35.812%0.12118%0.18CC..EExtended strand (participates in β ladder)trans-124.6138.3176.5-62.2-173.4-179.8163.7-1.1110.7L360 L361 Y363 D402 Q443 Q450 I451L360-R445 CarbonylContact C-O 3.59Å; L360-R445 WeakPolarHBondContact CA-O 3.23Å; L361-R445 PolarHBondContact N-O 3.39Å; L361-R445 PolarHBondContact O-N 3.08Å; Y363-R445 HydrophobicContact CD2-CB 3.94Å; Y363-R445 HydrophobicContact CD2-CG 3.84Å; Y363-R445 HydrophobicContact CE2-CB 4Å; Y363-R445 HydrophobicContact CE2-CG 4.29Å; D402-R445 VanDerWaalsContact CG-NH2 3.3Å; D402-R445 IonicContact OD1-NH2 2.78Å; D402-R445 PolarHBondContact OD1-NH2 3.49Å; D402-R445 IonicContact OD2-CZ 2.75Å; D402-R445 IonicContact OD2-NH1 3.61Å; D402-R445 PolarHBondContact OD2-NH1 3.02Å; D402-R445 IonicContact OD2-NH2 2.69Å; D402-R445 PolarHBondContact OD2-NH2 3.22Å; Q443-R445 VanDerWaalsContact CD-NH2 3.32Å; Q443-R445 VanDerWaalsContact NE2-NH2 3.11Å; Q443-R445 VanDerWaalsContact OE1-NH2 3.08Å; R445-Q450 CarbonylContact C-O 3.47Å; R445-Q450 VanDerWaalsContact CA-O 3.26Å; R445-Q450 WeakPolarHBondContact CA-O 3.18Å; R445-I451 HydrophobicContact CG-CG1 4.32Å
446N91.9Very high93Very high39 Ų3934.8 Ų34.821%0.20918%0.176CC..EExtended strand (participates in β ladder)trans-75175.8170.571.59.6000111.3L360 N448 H449 Q450L360-N446 HydrophobicContact CD2-CB 3.97Å; N446-N448 PolarHBondContact O-N 3.05Å; N446-N448 VanDerWaalsContact O-N 3.13Å; N446-N448 WeakPolarHBondContact OD1-CA 3.16Å; N446-N448 WeakPolarHBondContact OD1-CB 3.43Å; N446-N448 PolarHBondContact OD1-N 2.68Å; N446-H449 WeakPolarHBondContact O-CA 3.44Å; N446-H449 PolarHBondContact O-N 2.9Å; N446-H449 PolarHBondContact OD1-N 3.12Å; N446-Q450 PolarHBondContact N-O 3.13Å; N446-Q450 PolarHBondContact ND2-OE1 3.21Å; N446-Q450 WeakPolarHBondContact OD1-CB 3.45Å; N446-Q450 PolarHBondContact OD1-N 3.13Å
447L88.6Confident93.4Very high112 Ų11234.8 Ų34.859%0.58618%0.176SC*.THydrogen-bonded Turntrans-59.3-21.8177.8-58.7178.5000113.8H449L447-H449 PolarHBondContact O-N 3.09Å
448N89.8Confident93.5Very high122 Ų12234.6 Ų34.665%0.65218%0.175SC*.THydrogen-bonded Turntrans-8713.1174.3-58.7-25.2000112.6N446 Q450N446-N448 PolarHBondContact O-N 3.05Å; N446-N448 VanDerWaalsContact O-N 3.13Å; N446-N448 WeakPolarHBondContact OD1-CA 3.16Å; N446-N448 WeakPolarHBondContact OD1-CB 3.43Å; N446-N448 PolarHBondContact OD1-N 2.68Å; N448-Q450 HydrophobicContact CB-CG 4.21Å; N448-Q450 PolarHBondContact O-N 3Å
449H86.2Confident93.6Very high115 Ų11534.6 Ų34.653%0.53218%0.175SC..  trans56.611.7-173.5-59.5-70000116Y363 N446 L447Y363-H449 PolarHBondContact OH-CE1 3.29Å; N446-H449 WeakPolarHBondContact O-CA 3.44Å; N446-H449 PolarHBondContact O-N 2.9Å; N446-H449 PolarHBondContact OD1-N 3.12Å; L447-H449 PolarHBondContact O-N 3.09Å
450Q90Very high93.5Very high116 Ų11634.7 Ų34.754%0.54218%0.176SC..  trans-71.6135.2174.4-58.6167.4-41.100108.9R445 N446 N448 A452R445-Q450 CarbonylContact C-O 3.47Å; R445-Q450 VanDerWaalsContact CA-O 3.26Å; R445-Q450 WeakPolarHBondContact CA-O 3.18Å; N446-Q450 PolarHBondContact N-O 3.13Å; N446-Q450 PolarHBondContact ND2-OE1 3.21Å; N446-Q450 WeakPolarHBondContact OD1-CB 3.45Å; N446-Q450 PolarHBondContact OD1-N 3.13Å; N448-Q450 HydrophobicContact CB-CG 4.21Å; N448-Q450 PolarHBondContact O-N 3Å; Q450-A452 PolarHBondContact O-N 2.86Å
451I90.8Very high93.2Very high84 Ų8434.7 Ų34.743%0.43118%0.176SC..EExtended strand (participates in β ladder)trans-71115.7178-61.3159.5000108.2L444 R445 R454L444-I451 CarbonylContact O-C 3.54Å; L444-I451 WeakPolarHBondContact O-CA 3.5Å; R445-I451 HydrophobicContact CG-CG1 4.32Å; I451-R454 HydrophobicContact CG2-CB 4.46Å
452A92.3Very high92.8Very high38 Ų3834.4 Ų34.431%0.31417%0.174SC..EExtended strand (participates in β ladder)trans-79.9-44173.200000110.7G312 L360 L444 Q450G312-A452 CarbonylContact C-O 3.6Å; G312-A452 WeakPolarHBondContact CA-O 3.31Å; L360-A452 HydrophobicContact CD1-CB 4.27Å; L360-A452 HydrophobicContact CD2-CB 3.79Å; L444-A452 HydrophobicContact CB-CB 4.27Å; L444-A452 PolarHBondContact O-N 3.08Å; Q450-A452 PolarHBondContact O-N 2.86Å
453G93.3Very high92.2Very high3 Ų335.4 Ų35.43%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-156.5160.6179.100000111.8L444L444-G453 PolarHBondContact N-O 2.73Å; L444-G453 PolarHBondContact O-N 2.88Å
454R94Very high91.2Very high42 Ų4237.7 Ų37.716%0.15819%0.192CC..EExtended strand (participates in β ladder)trans-144.7133.8-178.2174.1-176.1-71.5-178.8-11112.4M309 G313 K314 A315 Q441 I442 Q443 I451M309-R454 VanDerWaalsContact CG-N 3.34Å; G313-R454 PolarHBondContact O-N 3.33Å; K314-R454 CarbonylContact C-O 3.58Å; K314-R454 WeakPolarHBondContact CA-O 3.29Å; A315-R454 PolarHBondContact N-O 2.89Å; Q441-R454 HydrophobicContact CG-CG 4.47Å; I442-R454 WeakPolarHBondContact O-CA 3.4Å; Q443-R454 HydrophobicContact CG-CG 4.25Å; I451-R454 HydrophobicContact CG2-CB 4.46Å
455I95.8Very high90Very high0 Ų042.8 Ų42.80%021%0.211CC..EExtended strand (participates in β ladder)trans-120139.7165.2-170.1165000110.7L305 V306 M309 A315 I442 F457L305-I455 HydrophobicContact CB-CD1 3.71Å; V306-I455 HydrophobicContact CG2-CD1 4.2Å; M309-I455 HydrophobicContact CE-CG2 4.37Å; M309-I455 HydrophobicContact CG-CB 4.46Å; M309-I455 HydrophobicContact SD-CB 3.78Å; M309-I455 HydrophobicContact SD-CG2 3.52Å; M309-I455 VanDerWaalsContact SD-CG2 3.52Å; M309-I455 PolarHBondContact SD-N 3.03Å; M309-I455 VanDerWaalsContact SD-N 3.39Å; A315-I455 HydrophobicContact CB-CB 4.14Å; A315-I455 HydrophobicContact CB-CD1 4.04Å; A315-I455 HydrophobicContact CB-CG1 3.8Å; A315-I455 WeakPolarHBondContact O-CA 3.35Å; I442-I455 HydrophobicContact CB-CG2 3.78Å; I442-I455 HydrophobicContact CD1-CG2 4.42Å; I442-I455 HydrophobicContact CG1-CG2 4.35Å; I442-I455 PolarHBondContact N-O 3.49Å; I442-I455 PolarHBondContact O-N 2.98Å; I455-F457 HydrophobicContact CD1-CE1 4.45Å; I455-F457 HydrophobicContact CD1-CE2 3.81Å; I455-F457 HydrophobicContact CD1-CZ 3.69Å; I455-F457 HydrophobicContact CG1-CD2 4.37Å; I455-F457 HydrophobicContact CG1-CE2 3.94Å; I455-F457 HydrophobicContact CG1-CZ 4.29Å; I455-F457 HydrophobicContact CG2-CD2 4.44Å; I455-F457 HydrophobicContact CG2-CE2 3.84Å
456W96.1Very high88.5Confident13 Ų1343.5 Ų43.55%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-104.3137.1167.2-69.3108.8000110.1A315 T316 C317 F367 I397 L439 Q441 V458 V514A315-W456 PolarHBondContact O-N 2.82Å; T316-W456 CarbonylContact C-O 3.26Å; T316-W456 WeakPolarHBondContact CA-O 3.44Å; T316-W456 HydrophobicContact CG2-CB 4.01Å; C317-W456 PolarHBondContact N-O 3.33Å; F367-W456 AromaticContact CE1-CH2 3.77Å; F367-W456 HydrophobicContact CE1-CH2 3.77Å; F367-W456 AromaticContact CE1-CZ3 3.56Å; F367-W456 HydrophobicContact CE1-CZ3 3.56Å; F367-W456 HydrophobicContact CZ-CH2 4.02Å; F367-W456 AromaticContact CZ-CZ3 3.88Å; F367-W456 HydrophobicContact CZ-CZ3 3.88Å; I397-W456 HydrophobicContact CD1-CH2 4.23Å; L439-W456 HydrophobicContact CB-CE3 4.37Å; L439-W456 HydrophobicContact CB-CZ3 4.25Å; Q441-W456 HydrophobicContact CB-CE3 3.74Å; Q441-W456 HydrophobicContact CB-CH2 3.98Å; Q441-W456 HydrophobicContact CB-CZ3 3.44Å; Q441-W456 VanDerWaalsContact CB-CZ3 3.44Å; Q441-W456 HydrophobicContact CG-CD2 4Å; Q441-W456 HydrophobicContact CG-CE3 3.69Å; Q441-W456 HydrophobicContact CG-CH2 3.61Å; Q441-W456 HydrophobicContact CG-CZ2 3.92Å; Q441-W456 HydrophobicContact CG-CZ3 3.5Å; Q441-W456 VanDerWaalsContact CG-CZ3 3.5Å; W456-V458 HydrophobicContact CB-CG2 4.43Å; W456-V514 HydrophobicContact CH2-CG1 4.42Å; W456-V514 HydrophobicContact CZ2-CG1 4.45Å
457F96.9Very high87.1Confident0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-114.9135.4159.5-63.2-97.1000109.6A302 C317 M331 L341 Y342 A345 L439 L440 I442 I455A302-F457 HydrophobicContact CB-CE1 3.86Å; A302-F457 HydrophobicContact CB-CZ 4.31Å; C317-F457 HydrophobicContact CB-CD1 3.65Å; C317-F457 HydrophobicContact CB-CE1 3.93Å; C317-F457 HydrophobicContact CB-CG 4.42Å; C317-F457 WeakPolarHBondContact O-CA 3.35Å; M331-F457 HydrophobicContact CE-CD1 4.38Å; M331-F457 HydrophobicContact SD-CB 4.08Å; M331-F457 HydrophobicContact SD-CD1 3.87Å; M331-F457 HydrophobicContact SD-CG 4.45Å; L341-F457 HydrophobicContact CB-CE1 4.25Å; Y342-F457 HydrophobicContact CD1-CB 3.89Å; Y342-F457 HydrophobicContact CD1-CD1 4.21Å; Y342-F457 HydrophobicContact CD1-CD2 4.33Å; Y342-F457 AromaticContact CD1-CG 3.91Å; Y342-F457 HydrophobicContact CD1-CG 3.91Å; Y342-F457 HydrophobicContact CE1-CB 3.46Å; Y342-F457 VanDerWaalsContact CE1-CB 3.46Å; Y342-F457 HydrophobicContact CE1-CD1 4.42Å; Y342-F457 HydrophobicContact CE1-CG 4Å; A345-F457 HydrophobicContact CB-CE2 4.07Å; A345-F457 HydrophobicContact CB-CZ 3.63Å; L439-F457 WeakPolarHBondContact CA-O 3.37Å; L440-F457 HydrophobicContact CB-CB 4.46Å; L440-F457 PolarHBondContact N-O 2.56Å; L440-F457 PolarHBondContact O-N 2.78Å; I442-F457 HydrophobicContact CD1-CD2 4.31Å; I442-F457 HydrophobicContact CD1-CE2 4Å; I455-F457 HydrophobicContact CD1-CE1 4.45Å; I455-F457 HydrophobicContact CD1-CE2 3.81Å; I455-F457 HydrophobicContact CD1-CZ 3.69Å; I455-F457 HydrophobicContact CG1-CD2 4.37Å; I455-F457 HydrophobicContact CG1-CE2 3.94Å; I455-F457 HydrophobicContact CG1-CZ 4.29Å; I455-F457 HydrophobicContact CG2-CD2 4.44Å; I455-F457 HydrophobicContact CG2-CE2 3.84Å
458V96.1Very high86.1Confident0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-130103.9-170.1-175.10000109.8T316 C317 F318 A319 A438 L439 W456 L460 L511 L515T316-V458 HydrophobicContact CG2-CG2 4.24Å; C317-V458 PolarHBondContact O-N 2.84Å; F318-V458 HydrophobicContact CD1-CB 3.64Å; F318-V458 HydrophobicContact CD1-CG1 3.83Å; F318-V458 HydrophobicContact CD1-CG2 4.04Å; F318-V458 HydrophobicContact CE1-CB 3.95Å; F318-V458 HydrophobicContact CE1-CG1 4.01Å; F318-V458 HydrophobicContact CE1-CG2 3.87Å; A319-V458 PolarHBondContact N-O 2.9Å; A438-V458 WeakPolarHBondContact O-CA 3.45Å; L439-V458 HydrophobicContact CD2-CG2 4.21Å; L439-V458 HydrophobicContact CG-CG1 4.19Å; L439-V458 HydrophobicContact CG-CG2 4.2Å; W456-V458 HydrophobicContact CB-CG2 4.43Å; V458-L460 HydrophobicContact CG1-CD2 3.49Å; V458-L460 VanDerWaalsContact CG1-CD2 3.49Å; V458-L460 HydrophobicContact CG1-CG 3.95Å; V458-L460 PolarHBondContact O-N 2.84Å; V458-L511 HydrophobicContact CG1-CD1 4.49Å; V458-L515 HydrophobicContact CG2-CD2 3.95Å
459D94.7Very high84.9Confident0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-89.393.4170.6-176.341.5000108.2K327 T328 M331 R422 A438K327-D459 WeakPolarHBondContact CB-OD1 3.43Å; T328-D459 WeakPolarHBondContact CB-OD2 3.17Å; T328-D459 PolarHBondContact N-OD1 3.28Å; T328-D459 PolarHBondContact OG1-OD1 2.76Å; T328-D459 PolarHBondContact OG1-OD2 3.27Å; M331-D459 HydrophobicContact CG-CB 4.25Å; R422-D459 IonicContact CZ-OD2 2.74Å; R422-D459 IonicContact NH1-OD2 3.99Å; R422-D459 PolarHBondContact NH1-OD2 3.37Å; R422-D459 PolarHBondContact NH2-O 3.23Å; R422-D459 IonicContact NH2-OD2 2.73Å; R422-D459 PolarHBondContact NH2-OD2 3.16Å; A438-D459 PolarHBondContact N-O 2.91Å; A438-D459 PolarHBondContact O-N 2.9Å
460L93.1Very high83.8Confident2 Ų244.7 Ų44.71%0.0124%0.238CC..PPolyproline II helixtrans-66.4160.4-177.4-63171.8000111.4F318 A319 Y320 K327 H437 V458 L487 L490 L511F318-L460 HydrophobicContact CD1-CD1 4.38Å; A319-L460 WeakPolarHBondContact O-CB 3.19Å; A319-L460 WeakPolarHBondContact O-CG 3.17Å; A319-L460 PolarHBondContact O-N 2.74Å; Y320-L460 HydrophobicContact CD2-CD1 3.87Å; Y320-L460 HydrophobicContact CG-CD1 4.46Å; K327-L460 WeakPolarHBondContact CE-O 3.48Å; H437-L460 HydrophobicContact CB-CD2 4.4Å; H437-L460 WeakPolarHBondContact ND1-CA 3.27Å; H437-L460 VanDerWaalsContact ND1-CD2 3.34Å; H437-L460 WeakPolarHBondContact ND1-CD2 3.5Å; V458-L460 HydrophobicContact CG1-CD2 3.49Å; V458-L460 VanDerWaalsContact CG1-CD2 3.49Å; V458-L460 HydrophobicContact CG1-CG 3.95Å; V458-L460 PolarHBondContact O-N 2.84Å; L460-L487 HydrophobicContact CD1-CD2 4.11Å; L460-L490 HydrophobicContact CD1-CD2 4.37Å; L460-L511 HydrophobicContact CD2-CD1 3.95Å; L460-L511 HydrophobicContact CD2-CD2 3.76Å; L460-L511 HydrophobicContact CD2-CG 4.47Å
461A90.3Very high82.6Confident0 Ų047.9 Ų47.90%025%0.253CS..PPolyproline II helixtrans-64.8171.1167.800000111.9K327 S434 H437 I483K327-A461 WeakPolarHBondContact CE-O 3.33Å; K327-A461 PolarHBondContact NZ-O 2.85Å; S434-A461 WeakPolarHBondContact O-CB 3.46Å; H437-A461 PolarHBondContact ND1-N 3.44Å; A461-I483 HydrophobicContact CB-CB 4.41Å; A461-I483 HydrophobicContact CB-CD1 4.15Å; A461-I483 HydrophobicContact CB-CG1 3.84Å; A461-I483 HydrophobicContact CB-CG2 3.72Å
462G86.8Confident81.3Confident1 Ų145.6 Ų45.61%0.0124%0.243CC..PPolyproline II helixtrans-62.9135.9174.700000113.4S434 E464 I483S434-G462 PolarHBondContact O-N 2.64Å; G462-E464 VanDerWaalsContact C-N 3.29Å; G462-E464 WeakPolarHBondContact CA-OE2 3.12Å; G462-E464 PolarHBondContact O-N 2.73Å; G462-I483 WeakPolarHBondContact O-CG2 3.34Å
463S83Confident80.6Confident21 Ų2147.2 Ų47.215%0.14725%0.247CC..  trans-88.614.7176.969.40000114.4G321 Q322G321-S463 PolarHBondContact O-N 3.01Å; G321-S463 PolarHBondContact O-OG 3.17Å; Q322-S463 PolarHBondContact N-OG 3.05Å
464E75.4Confident80Confident51 Ų5155 Ų5524%0.23828%0.279CS..  trans-70.4163.5171.659.2-86.1-169.500113.1Q322 T323 G462 N484Q322-E464 WeakPolarHBondContact CA-OE2 3.38Å; T323-E464 WeakPolarHBondContact CB-OE1 3.48Å; T323-E464 PolarHBondContact N-OE2 3.16Å; T323-E464 PolarHBondContact OG1-OE1 3.31Å; T323-E464 PolarHBondContact OG1-OE2 3.26Å; G462-E464 VanDerWaalsContact C-N 3.29Å; G462-E464 WeakPolarHBondContact CA-OE2 3.12Å; G462-E464 PolarHBondContact O-N 2.73Å; E464-N484 PolarHBondContact O-ND2 2.83Å; E464-N484 VanDerWaalsContact O-ND2 3.14Å
465R69.8Low79.3Confident107 Ų10756.2 Ų56.240%0.40429%0.287SS..  trans-96.3155.1-177-61.4-178.6-175.4128.14.5111S467 D468 E539 N543R465-S467 WeakPolarHBondContact CB-OG 3.08Å; R465-S467 PolarHBondContact O-N 3.07Å; R465-S467 VanDerWaalsContact O-N 3.11Å; R465-D468 WeakPolarHBondContact CA-OD2 3.45Å; R465-D468 WeakPolarHBondContact CB-OD2 3.49Å; R465-D468 PolarHBondContact N-OD2 3.32Å; R465-D468 WeakPolarHBondContact O-CB 3.18Å; R465-D468 VanDerWaalsContact O-CG 3.26Å; R465-D468 PolarHBondContact O-N 2.93Å; R465-E539 IonicContact CZ-OE1 3.54Å; R465-E539 IonicContact NH1-OE1 2.69Å; R465-E539 PolarHBondContact NH1-OE1 2.97Å; R465-E539 IonicContact NH1-OE2 3.3Å; R465-E539 PolarHBondContact NH1-OE2 2.87Å; R465-E539 IonicContact NH2-OE1 3.65Å; R465-E539 PolarHBondContact NH2-OE1 3.34Å; R465-N543 PolarHBondContact NH2-ND2 3.16Å
466A64.1Low78.4Confident47 Ų4757 Ų5739%0.38829%0.293SS..THydrogen-bonded Turntrans-64.9-12.4174.400000114.2D468A466-D468 VanDerWaalsContact C-N 3.27Å
467S61.6Low77.7Confident88 Ų8863.2 Ų63.262%0.61532%0.316SS*.THydrogen-bonded Turntrans-68.6-23.2170.342.40000113.8R465 A469R465-S467 WeakPolarHBondContact CB-OG 3.08Å; R465-S467 PolarHBondContact O-N 3.07Å; R465-S467 VanDerWaalsContact O-N 3.11Å; S467-A469 VanDerWaalsContact C-N 3.33Å
468D67.2Low77Confident69 Ų6967.2 Ų67.237%0.36934%0.336SS..SBendtrans-89.7-10.5-163.6-44.3-19.2000110.9R465 A466 H540R465-D468 WeakPolarHBondContact CA-OD2 3.45Å; R465-D468 WeakPolarHBondContact CB-OD2 3.49Å; R465-D468 PolarHBondContact N-OD2 3.32Å; R465-D468 WeakPolarHBondContact O-CB 3.18Å; R465-D468 VanDerWaalsContact O-CG 3.26Å; R465-D468 PolarHBondContact O-N 2.93Å; A466-D468 VanDerWaalsContact C-N 3.27Å; D468-H540 IonicContact OD2-CE1 2.69Å; D468-H540 PolarHBondContact OD2-CE1 3.46Å
469A66.4Low76.4Confident43 Ų4367.3 Ų67.336%0.35534%0.336SS..SBendtrans-81.7122.6170.900000110.7S467 E471 P472S467-A469 VanDerWaalsContact C-N 3.33Å; A469-E471 VanDerWaalsContact C-N 3.32Å; A469-E471 PolarHBondContact O-N 3.3Å; A469-P472 HydrophobicContact CB-CB 4.12Å; A469-P472 WeakPolarHBondContact O-CD 3.46Å
470K61.3Low75.8Confident213 Ų21368 Ų6893%0.92634%0.343SS*.SBendtrans-60-36.4-176.8-65.3-175.7177.9-178.20114
471E64.8Low75.5Confident183 Ų18370.6 Ų70.686%0.85537%0.365SS*.SBendtrans-140.692.3170.8-68.8-163.9145.400110.9A469 N473A469-E471 VanDerWaalsContact C-N 3.32Å; A469-E471 PolarHBondContact O-N 3.3Å; E471-N473 PolarHBondContact O-N 2.85Å
472P65.2Low75.4Confident36 Ų3673.7 Ų73.723%0.23438%0.38CS..  trans-82.599.6-177.529.7-29.6000111A469 R477A469-P472 HydrophobicContact CB-CB 4.12Å; A469-P472 WeakPolarHBondContact O-CD 3.46Å; P472-R477 PolarHBondContact O-NH2 2.98Å
473N76.1Confident75.5Confident73 Ų7374.3 Ų74.339%0.3938%0.382SS..  trans-57.3158.516876.19.5000111.2E471 Q475 S476 R477E471-N473 PolarHBondContact O-N 2.85Å; N473-Q475 PolarHBondContact O-N 3.25Å; N473-Q475 VanDerWaalsContact O-N 3.12Å; N473-S476 PolarHBondContact O-N 3.1Å; N473-S476 VanDerWaalsContact OD1-CB 3.24Å; N473-S476 WeakPolarHBondContact OD1-CB 3.47Å; N473-S476 PolarHBondContact OD1-N 3.02Å; N473-S476 PolarHBondContact OD1-OG 3.01Å; N473-R477 PolarHBondContact O-N 3.14Å
474K81.5Confident75.7Confident165 Ų16576.1 Ų76.172%0.71739%0.39SS*.Hα-helixtrans-52.8-40-173.7-175.2-178.1176.8-177.30112.6R477 M478K474-R477 PolarHBondContact O-N 2.67Å; K474-M478 HydrophobicContact CG-CE 4.26Å; K474-M478 HydrophobicContact CG-SD 4.38Å; K474-M478 WeakPolarHBondContact O-CG 3.4Å; K474-M478 PolarHBondContact O-N 2.77Å; K474-M478 VanDerWaalsContact O-N 3.11Å
475Q79.3Confident76.4Confident69 Ų6978.5 Ų78.532%0.32240%0.401SS..Hα-helixtrans-65.6-53.2-178.3-165.936.359.700111.3N473 R477 M478 E479N473-Q475 PolarHBondContact O-N 3.25Å; N473-Q475 VanDerWaalsContact O-N 3.12Å; Q475-R477 PolarHBondContact O-N 2.81Å; Q475-R477 VanDerWaalsContact O-N 3.17Å; Q475-M478 PolarHBondContact O-N 3.25Å; Q475-M478 VanDerWaalsContact O-N 3.09Å; Q475-M478 VanDerWaalsContact OE1-CE 3.23Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.23Å; Q475-E479 PolarHBondContact NE2-OE1 3.09Å; Q475-E479 PolarHBondContact O-N 2.95Å
476S77.2Confident77.5Confident16 Ų1673.8 Ų73.811%0.11239%0.385CS..Hα-helixtrans-57.6-32.4174.2-55.20000113.3R435 N473 G480R435-S476 PolarHBondContact NH1-OG 3.45Å; R435-S476 PolarHBondContact NH2-OG 2.81Å; N473-S476 PolarHBondContact O-N 3.1Å; N473-S476 VanDerWaalsContact OD1-CB 3.24Å; N473-S476 WeakPolarHBondContact OD1-CB 3.47Å; N473-S476 PolarHBondContact OD1-N 3.02Å; N473-S476 PolarHBondContact OD1-OG 3.01Å; S476-G480 PolarHBondContact O-N 3.07Å
477R80.4Confident78.7Confident144 Ų14471.8 Ų71.854%0.54337%0.368SS..Hα-helixtrans-72.7-37.5178.3-161.4-179.9-53.6176.45.2112.5P472 N473 K474 Q475 A481P472-R477 PolarHBondContact O-NH2 2.98Å; N473-R477 PolarHBondContact O-N 3.14Å; K474-R477 PolarHBondContact O-N 2.67Å; Q475-R477 PolarHBondContact O-N 2.81Å; Q475-R477 VanDerWaalsContact O-N 3.17Å; R477-A481 WeakPolarHBondContact O-CB 3.4Å; R477-A481 PolarHBondContact O-N 3.38Å; R477-A481 VanDerWaalsContact O-N 3.09Å
478M82.8Confident80Confident84 Ų8472.5 Ų72.541%0.41436%0.364SS..Hα-helixtrans-69.3-41.8173.7-66.6-179-53.700110.9K474 Q475 A481 E482K474-M478 HydrophobicContact CG-CE 4.26Å; K474-M478 HydrophobicContact CG-SD 4.38Å; K474-M478 WeakPolarHBondContact O-CG 3.4Å; K474-M478 PolarHBondContact O-N 2.77Å; K474-M478 VanDerWaalsContact O-N 3.11Å; Q475-M478 PolarHBondContact O-N 3.25Å; Q475-M478 VanDerWaalsContact O-N 3.09Å; Q475-M478 VanDerWaalsContact OE1-CE 3.23Å; M478-A481 PolarHBondContact O-N 2.94Å; M478-E482 PolarHBondContact O-N 2.73Å
479E83Confident81.1Confident2 Ų269.3 Ų69.31%0.00935%0.347CS..Hα-helixtrans-58.2-51.3172.5-71.2153.9-128.400111.5Y370 C371 R435 Q475 A481 E482 I483Y370-E479 HydrophobicContact CE2-CG 3.86Å; Y370-E479 VanDerWaalsContact OH-CD 3.29Å; Y370-E479 PolarHBondContact OH-OE1 3.04Å; C371-E479 VanDerWaalsContact SG-CG 3.59Å; R435-E479 WeakPolarHBondContact CD-OE2 3.49Å; R435-E479 IonicContact CZ-OE2 3.46Å; R435-E479 IonicContact NE-OE2 3.24Å; R435-E479 IonicContact NH1-OE1 2.67Å; R435-E479 IonicContact NH1-OE2 3.67Å; R435-E479 PolarHBondContact NH1-OE2 2.93Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.23Å; Q475-E479 PolarHBondContact NE2-OE1 3.09Å; Q475-E479 PolarHBondContact O-N 2.95Å; E479-A481 VanDerWaalsContact C-N 3.26Å; E479-A481 PolarHBondContact O-N 3.25Å; E479-E482 PolarHBondContact O-N 2.97Å; E479-I483 WeakPolarHBondContact O-CB 3.47Å; E479-I483 WeakPolarHBondContact O-CD1 3.49Å; E479-I483 WeakPolarHBondContact O-CG1 3.2Å; E479-I483 PolarHBondContact O-N 3.14Å
480G83.7Confident82.2Confident14 Ų1467.5 Ų67.514%0.14433%0.332CS..Hα-helixtrans-59.7-33.9177.900000113.8S476 N484S476-G480 PolarHBondContact O-N 3.07Å; G480-N484 WeakPolarHBondContact O-CB 3.24Å; G480-N484 PolarHBondContact O-N 3.2Å; G480-N484 VanDerWaalsContact O-N 3.12Å; G480-N484 PolarHBondContact O-ND2 3.39Å
481A85.5Confident83.3Confident57 Ų5760.3 Ų60.347%0.47130%0.3SS..Hα-helixtrans-69.6-47.4174.200000112.1R477 M478 E479 I483 N484 Q485R477-A481 WeakPolarHBondContact O-CB 3.4Å; R477-A481 PolarHBondContact O-N 3.38Å; R477-A481 VanDerWaalsContact O-N 3.09Å; M478-A481 PolarHBondContact O-N 2.94Å; E479-A481 VanDerWaalsContact C-N 3.26Å; E479-A481 PolarHBondContact O-N 3.25Å; A481-I483 PolarHBondContact O-N 3.38Å; A481-N484 PolarHBondContact O-N 3.18Å; A481-Q485 WeakPolarHBondContact O-CB 3.49Å; A481-Q485 PolarHBondContact O-N 2.66Å
482E89.5Confident84.3Confident65 Ų6553.5 Ų53.530%0.30427%0.268SS..Hα-helixtrans-63.3-38.2177.6-78.9-75.8163.400112.6G372 M478 E479 S486G372-E482 WeakPolarHBondContact CA-OE2 3.44Å; G372-E482 PolarHBondContact N-OE2 2.94Å; G372-E482 VanDerWaalsContact N-OE2 3.09Å; M478-E482 PolarHBondContact O-N 2.73Å; E479-E482 PolarHBondContact O-N 2.97Å; E482-S486 WeakPolarHBondContact O-CB 3.34Å; E482-S486 PolarHBondContact O-N 2.87Å; E482-S486 PolarHBondContact O-OG 3.27Å
483I87.8Confident85.4Confident14 Ų1451.8 Ų51.87%0.07226%0.257CS..Hα-helixtrans-62.1-50.7173-67159.3000110.1R435 A461 G462 E479 A481 Q485 S486 L487R435-I483 HydrophobicContact CB-CD1 4.08Å; A461-I483 HydrophobicContact CB-CB 4.41Å; A461-I483 HydrophobicContact CB-CD1 4.15Å; A461-I483 HydrophobicContact CB-CG1 3.84Å; A461-I483 HydrophobicContact CB-CG2 3.72Å; G462-I483 WeakPolarHBondContact O-CG2 3.34Å; E479-I483 WeakPolarHBondContact O-CB 3.47Å; E479-I483 WeakPolarHBondContact O-CD1 3.49Å; E479-I483 WeakPolarHBondContact O-CG1 3.2Å; E479-I483 PolarHBondContact O-N 3.14Å; A481-I483 PolarHBondContact O-N 3.38Å; I483-Q485 PolarHBondContact O-N 3.41Å; I483-S486 PolarHBondContact O-N 2.84Å; I483-S486 PolarHBondContact O-OG 2.72Å; I483-S486 VanDerWaalsContact O-OG 3.05Å; I483-L487 HydrophobicContact CG2-CD1 4Å; I483-L487 WeakPolarHBondContact O-CB 3.47Å; I483-L487 VanDerWaalsContact O-CG 3.32Å; I483-L487 WeakPolarHBondContact O-CG 3.48Å; I483-L487 PolarHBondContact O-N 2.75Å
484N87.4Confident85.7Confident59 Ų5948.6 Ų48.632%0.31624%0.24SC..Hα-helixtrans-67.4-35.5179.9-83-84.6000112.6E464 G480 A481 L488E464-N484 PolarHBondContact O-ND2 2.83Å; E464-N484 VanDerWaalsContact O-ND2 3.14Å; G480-N484 WeakPolarHBondContact O-CB 3.24Å; G480-N484 PolarHBondContact O-N 3.2Å; G480-N484 VanDerWaalsContact O-N 3.12Å; G480-N484 PolarHBondContact O-ND2 3.39Å; A481-N484 PolarHBondContact O-N 3.18Å; N484-L488 WeakPolarHBondContact O-CB 3.39Å; N484-L488 PolarHBondContact O-N 3.47Å
485Q90.7Very high85.6Confident100 Ų10042.7 Ų42.747%0.46721%0.214SC..Hα-helixtrans-64.6-45.8173.5177.5178.6-29.100111.9A481 I483 L488 A489 Q508A481-Q485 WeakPolarHBondContact O-CB 3.49Å; A481-Q485 PolarHBondContact O-N 2.66Å; I483-Q485 PolarHBondContact O-N 3.41Å; Q485-L488 PolarHBondContact O-N 3.22Å; Q485-A489 WeakPolarHBondContact O-CB 3.3Å; Q485-A489 PolarHBondContact O-N 3.04Å; Q485-Q508 PolarHBondContact NE2-O 2.85Å
486S92.7Very high85.9Confident8 Ų839.4 Ų39.46%0.05620%0.198CC..Hα-helixtrans-69.4-35.918049.80000112.6H437 E482 I483 L490H437-S486 PolarHBondContact NE2-OG 3.37Å; E482-S486 WeakPolarHBondContact O-CB 3.34Å; E482-S486 PolarHBondContact O-N 2.87Å; E482-S486 PolarHBondContact O-OG 3.27Å; I483-S486 PolarHBondContact O-N 2.84Å; I483-S486 PolarHBondContact O-OG 2.72Å; I483-S486 VanDerWaalsContact O-OG 3.05Å; S486-L490 PolarHBondContact O-N 3.11Å
487L89.3Confident86.1Confident6 Ų640.5 Ų40.53%0.03120%0.202CC..Hα-helixtrans-68.2-40.9170-68.2177.6000112.1Y320 L460 I483 L490 K491Y320-L487 HydrophobicContact CD2-CD2 4.2Å; Y320-L487 HydrophobicContact CE2-CD1 4.26Å; Y320-L487 HydrophobicContact CE2-CD2 4.03Å; L460-L487 HydrophobicContact CD1-CD2 4.11Å; I483-L487 HydrophobicContact CG2-CD1 4Å; I483-L487 WeakPolarHBondContact O-CB 3.47Å; I483-L487 VanDerWaalsContact O-CG 3.32Å; I483-L487 WeakPolarHBondContact O-CG 3.48Å; I483-L487 PolarHBondContact O-N 2.75Å; L487-L490 WeakPolarHBondContact O-CB 3.17Å; L487-L490 PolarHBondContact O-N 3.27Å; L487-K491 WeakPolarHBondContact O-CG 3.39Å; L487-K491 PolarHBondContact O-N 2.89Å; L487-K491 VanDerWaalsContact O-N 3.1Å
488L88.7Confident85.9Confident103 Ų10335.9 Ų35.954%0.53919%0.189SC..Hα-helixtrans-62.6-46.6176.8178.560.3000112N484 Q485 L490 K491 E492N484-L488 WeakPolarHBondContact O-CB 3.39Å; N484-L488 PolarHBondContact O-N 3.47Å; Q485-L488 PolarHBondContact O-N 3.22Å; L488-L490 PolarHBondContact O-N 2.79Å; L488-K491 WeakPolarHBondContact O-CB 3.46Å; L488-K491 PolarHBondContact O-N 3.21Å; L488-E492 PolarHBondContact O-N 3.31Å
489A90.9Very high85.8Confident2 Ų235.9 Ų35.92%0.01719%0.186CC..Hα-helixtrans-57.8-37.1174.900000111.7Q485 E492 C493 Q508 T512Q485-A489 WeakPolarHBondContact O-CB 3.3Å; Q485-A489 PolarHBondContact O-N 3.04Å; A489-E492 PolarHBondContact O-N 3.09Å; A489-C493 PolarHBondContact O-N 2.93Å; A489-C493 PolarHBondContact O-SG 3.24Å; A489-Q508 HydrophobicContact CB-CB 3.73Å; A489-T512 VanDerWaalsContact C-CG2 3.5Å; A489-T512 HydrophobicContact CB-CG2 3.94Å
490L89.6Confident85.6Confident5 Ų544 Ų443%0.02622%0.224CC..Hα-helixtrans-63.4-43.6174.5-171.865.2000111.3L460 S486 L487 L488 E492 C493 I494 L511 T512 L515 F519L460-L490 HydrophobicContact CD1-CD2 4.37Å; S486-L490 PolarHBondContact O-N 3.11Å; L487-L490 WeakPolarHBondContact O-CB 3.17Å; L487-L490 PolarHBondContact O-N 3.27Å; L488-L490 PolarHBondContact O-N 2.79Å; L490-E492 PolarHBondContact O-N 3.14Å; L490-C493 PolarHBondContact O-N 2.73Å; L490-I494 HydrophobicContact CD1-CD1 4.42Å; L490-I494 HydrophobicContact CG-CD1 4.13Å; L490-I494 WeakPolarHBondContact O-CB 3.46Å; L490-I494 WeakPolarHBondContact O-CG1 3.4Å; L490-I494 PolarHBondContact O-N 2.98Å; L490-I494 VanDerWaalsContact O-N 3.08Å; L490-L511 HydrophobicContact CD2-CD2 4.4Å; L490-T512 HydrophobicContact CB-CG2 4.16Å; L490-T512 HydrophobicContact CD1-CG2 4.22Å; L490-L515 HydrophobicContact CD1-CD1 4.5Å; L490-F519 HydrophobicContact CD1-CE2 3.71Å; L490-F519 HydrophobicContact CD1-CZ 3.77Å
491K83.8Confident85.5Confident62 Ų6246.6 Ų46.627%0.2723%0.233SC..Hα-helixtrans-60.4-44.2174.9-41.4-153.8169.2-168.90111.6Y320 L487 L488 I494 R495 Y547Y320-K491 PolarHBondContact OH-NZ 3.29Å; L487-K491 WeakPolarHBondContact O-CG 3.39Å; L487-K491 PolarHBondContact O-N 2.89Å; L487-K491 VanDerWaalsContact O-N 3.1Å; L488-K491 WeakPolarHBondContact O-CB 3.46Å; L488-K491 PolarHBondContact O-N 3.21Å; K491-I494 WeakPolarHBondContact O-CB 3.48Å; K491-I494 PolarHBondContact O-N 2.98Å; K491-R495 VanDerWaalsContact O-CB 3.25Å; K491-R495 WeakPolarHBondContact O-CB 3.18Å; K491-R495 PolarHBondContact O-N 3.2Å; K491-Y547 HydrophobicContact CB-CE2 3.79Å; K491-Y547 HydrophobicContact CD-CD2 3.45Å; K491-Y547 VanDerWaalsContact CD-CD2 3.45Å; K491-Y547 HydrophobicContact CD-CE2 3.39Å; K491-Y547 HydrophobicContact CD-CG 4.26Å; K491-Y547 VanDerWaalsContact CE-CD2 3.48Å; K491-Y547 HydrophobicContact CG-CD2 3.98Å; K491-Y547 HydrophobicContact CG-CE2 3.33Å
492E86Confident85.2Confident39 Ų3950.3 Ų50.318%0.18226%0.255CS..Hα-helixtrans-70.6-34.2-179.4-77-59.1111.400113.1L488 A489 L490 R495 S496 P505L488-E492 PolarHBondContact O-N 3.31Å; A489-E492 PolarHBondContact O-N 3.09Å; L490-E492 PolarHBondContact O-N 3.14Å; E492-R495 VanDerWaalsContact CD-NE 3.25Å; E492-R495 WeakPolarHBondContact OE1-CD 3.43Å; E492-R495 IonicContact OE1-NE 3.42Å; E492-R495 PolarHBondContact OE1-NE 2.69Å; E492-R495 IonicContact OE2-CZ 2.71Å; E492-R495 VanDerWaalsContact OE2-CZ 3.23Å; E492-R495 IonicContact OE2-NE 3.36Å; E492-R495 PolarHBondContact OE2-NE 2.86Å; E492-R495 IonicContact OE2-NH2 3.49Å; E492-R495 PolarHBondContact OE2-NH2 2.82Å; E492-S496 WeakPolarHBondContact O-CB 3.33Å; E492-S496 PolarHBondContact O-N 3.15Å; E492-P505 HydrophobicContact CB-CG 4.22Å
493C88.1Confident85Confident0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-63-47.6171.1-65.90000111.1A489 L490 S496 L497 T504 F506 T512A489-C493 PolarHBondContact O-N 2.93Å; A489-C493 PolarHBondContact O-SG 3.24Å; L490-C493 PolarHBondContact O-N 2.73Å; C493-S496 PolarHBondContact O-N 3.3Å; C493-L497 WeakPolarHBondContact O-CD1 3.42Å; C493-L497 VanDerWaalsContact O-CG 3.3Å; C493-L497 WeakPolarHBondContact O-CG 3.19Å; C493-L497 PolarHBondContact O-N 3.34Å; C493-T504 HydrophobicContact CB-CG2 4.04Å; C493-F506 HydrophobicContact CB-CD1 4.2Å; C493-F506 HydrophobicContact CB-CE1 4.09Å; C493-T512 HydrophobicContact CB-CG2 4.42Å
494I81.5Confident85Confident7 Ų754.5 Ų54.54%0.03628%0.276CS..Hα-helixtrans-55.7-51.7175.1-82.5167.5000111.1L490 K491 S496 L497 D498 F519 Y547 V551 L554L490-I494 HydrophobicContact CD1-CD1 4.42Å; L490-I494 HydrophobicContact CG-CD1 4.13Å; L490-I494 WeakPolarHBondContact O-CB 3.46Å; L490-I494 WeakPolarHBondContact O-CG1 3.4Å; L490-I494 PolarHBondContact O-N 2.98Å; L490-I494 VanDerWaalsContact O-N 3.08Å; K491-I494 WeakPolarHBondContact O-CB 3.48Å; K491-I494 PolarHBondContact O-N 2.98Å; I494-S496 VanDerWaalsContact C-N 3.27Å; I494-S496 PolarHBondContact O-N 3.3Å; I494-L497 PolarHBondContact O-N 3.08Å; I494-D498 PolarHBondContact O-N 3.31Å; I494-D498 VanDerWaalsContact O-N 3.15Å; I494-F519 HydrophobicContact CD1-CE1 4.22Å; I494-F519 HydrophobicContact CD1-CZ 4.3Å; I494-F519 HydrophobicContact CG1-CE1 4.1Å; I494-F519 HydrophobicContact CG1-CZ 4.44Å; I494-Y547 WeakPolarHBondContact CD1-OH 3.5Å; I494-V551 HydrophobicContact CD1-CG1 4.48Å; I494-V551 HydrophobicContact CD1-CG2 4.06Å; I494-V551 HydrophobicContact CG2-CG2 3.93Å; I494-L554 HydrophobicContact CB-CD1 4.1Å; I494-L554 HydrophobicContact CG1-CD1 4.25Å; I494-L554 HydrophobicContact CG2-CD1 3.53Å; I494-L554 HydrophobicContact CG2-CD2 4.35Å; I494-L554 HydrophobicContact CG2-CG 4.2Å
495R80.4Confident85.2Confident41 Ų4152.5 Ų52.516%0.15527%0.266CS..Hα-helixtrans-68.7-19.1178.7-168.6-146.154.761-6.8114.2K491 E492 D498 E501K491-R495 VanDerWaalsContact O-CB 3.25Å; K491-R495 WeakPolarHBondContact O-CB 3.18Å; K491-R495 PolarHBondContact O-N 3.2Å; E492-R495 VanDerWaalsContact CD-NE 3.25Å; E492-R495 WeakPolarHBondContact OE1-CD 3.43Å; E492-R495 IonicContact OE1-NE 3.42Å; E492-R495 PolarHBondContact OE1-NE 2.69Å; E492-R495 IonicContact OE2-CZ 2.71Å; E492-R495 VanDerWaalsContact OE2-CZ 3.23Å; E492-R495 IonicContact OE2-NE 3.36Å; E492-R495 PolarHBondContact OE2-NE 2.86Å; E492-R495 IonicContact OE2-NH2 3.49Å; E492-R495 PolarHBondContact OE2-NH2 2.82Å; R495-D498 WeakPolarHBondContact O-CB 2.87Å; R495-E501 IonicContact CZ-OE1 3.25Å; R495-E501 IonicContact NH1-OE1 2.64Å; R495-E501 PolarHBondContact NH1-OE1 2.78Å; R495-E501 IonicContact NH1-OE2 3.51Å; R495-E501 IonicContact NH2-OE1 3.44Å; R495-E501 PolarHBondContact NH2-OE1 2.97Å; R495-E501 IonicContact NH2-OE2 2.72Å; R495-E501 PolarHBondContact NH2-OE2 3.27Å
496S84.3Confident85.2Confident0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-87.4-37.9179.5-176.90000111E492 C493 I494 K499 E500 E501 T504E492-S496 WeakPolarHBondContact O-CB 3.33Å; E492-S496 PolarHBondContact O-N 3.15Å; C493-S496 PolarHBondContact O-N 3.3Å; I494-S496 VanDerWaalsContact C-N 3.27Å; I494-S496 PolarHBondContact O-N 3.3Å; S496-K499 PolarHBondContact O-N 2.89Å; S496-E500 PolarHBondContact O-N 2.92Å; S496-E501 WeakPolarHBondContact CA-OE2 3.41Å; S496-E501 WeakPolarHBondContact CB-OE2 3.48Å; S496-E501 WeakPolarHBondContact O-CB 3.47Å; S496-E501 PolarHBondContact O-N 2.95Å; S496-E501 VanDerWaalsContact O-N 3.07Å; S496-E501 WeakPolarHBondContact OG-CB 3.32Å; S496-E501 PolarHBondContact OG-OE2 3.06Å; S496-T504 WeakPolarHBondContact OG-CA 3.4Å
497L81.9Confident85.1Confident38 Ų3857.2 Ų57.220%0.19928%0.279CS..Hα-helixtrans-63.3-42.2170-66.4161.4000111.9C493 I494 K499 E500 T504 F506 F519 V520C493-L497 WeakPolarHBondContact O-CD1 3.42Å; C493-L497 VanDerWaalsContact O-CG 3.3Å; C493-L497 WeakPolarHBondContact O-CG 3.19Å; C493-L497 PolarHBondContact O-N 3.34Å; I494-L497 PolarHBondContact O-N 3.08Å; L497-K499 PolarHBondContact O-N 3Å; L497-E500 PolarHBondContact O-N 3.28Å; L497-E500 VanDerWaalsContact O-N 3.09Å; L497-T504 HydrophobicContact CD1-CG2 4.4Å; L497-T504 HydrophobicContact CD2-CG2 4.12Å; L497-T504 HydrophobicContact CG-CG2 3.85Å; L497-F506 HydrophobicContact CD1-CZ 4.21Å; L497-F506 HydrophobicContact CD2-CZ 4.43Å; L497-F519 HydrophobicContact CD1-CB 3.72Å; L497-F519 HydrophobicContact CD1-CG 4.34Å; L497-V520 HydrophobicContact CD2-CG2 4.45Å
498D77.1Confident85.2Confident48 Ų4861.8 Ų61.826%0.25730%0.3SS..THydrogen-bonded Turntrans-47.7-39.7173.8-167.733.9000114.4I494 R495 R550 L554I494-D498 PolarHBondContact O-N 3.31Å; I494-D498 VanDerWaalsContact O-N 3.15Å; R495-D498 WeakPolarHBondContact O-CB 2.87Å; D498-R550 IonicContact OD2-CZ 3.47Å; D498-R550 IonicContact OD2-NE 3.53Å; D498-R550 IonicContact OD2-NH2 2.74Å; D498-R550 PolarHBondContact OD2-NH2 2.99Å; D498-L554 HydrophobicContact CB-CD2 3.33Å; D498-L554 VanDerWaalsContact OD1-CD2 3.27Å; D498-L554 WeakPolarHBondContact OD1-CD2 2.76Å
499K80.6Confident85.5Confident83 Ų8357.4 Ų57.436%0.36128%0.279SS..THydrogen-bonded Turntrans-99.66.9-174.5-66.6-172.2-175.5178.70113.2S496 L497 E501S496-K499 PolarHBondContact O-N 2.89Å; L497-K499 PolarHBondContact O-N 3Å; K499-E501 HydrophobicContact CB-CG 4Å; K499-E501 PolarHBondContact O-N 3Å; K499-E501 VanDerWaalsContact O-N 3.16Å
500E78.2Confident85.6Confident172 Ų17261.3 Ų61.380%0.80430%0.295SS*.THydrogen-bonded Turntrans49.936-172.6-54.5-167.8144.400112.8S496 L497 S502S496-E500 PolarHBondContact O-N 2.92Å; L497-E500 PolarHBondContact O-N 3.28Å; L497-E500 VanDerWaalsContact O-N 3.09Å; E500-S502 PolarHBondContact O-N 3.35Å
501E81.2Confident85.8Confident69 Ų6961 Ų6132%0.32229%0.294SS..  trans-61.8131.3-179.8-76.8169.9-169.900110.5R495 S496 K499 H503R495-E501 IonicContact CZ-OE1 3.25Å; R495-E501 IonicContact NH1-OE1 2.64Å; R495-E501 PolarHBondContact NH1-OE1 2.78Å; R495-E501 IonicContact NH1-OE2 3.51Å; R495-E501 IonicContact NH2-OE1 3.44Å; R495-E501 PolarHBondContact NH2-OE1 2.97Å; R495-E501 IonicContact NH2-OE2 2.72Å; R495-E501 PolarHBondContact NH2-OE2 3.27Å; S496-E501 WeakPolarHBondContact CA-OE2 3.41Å; S496-E501 WeakPolarHBondContact CB-OE2 3.48Å; S496-E501 WeakPolarHBondContact O-CB 3.47Å; S496-E501 PolarHBondContact O-N 2.95Å; S496-E501 VanDerWaalsContact O-N 3.07Å; S496-E501 WeakPolarHBondContact OG-CB 3.32Å; S496-E501 PolarHBondContact OG-OE2 3.06Å; K499-E501 HydrophobicContact CB-CG 4Å; K499-E501 PolarHBondContact O-N 3Å; K499-E501 VanDerWaalsContact O-N 3.16Å; E501-H503 PolarHBondContact O-N 3Å
502S80Confident86.3Confident135 Ų13558.1 Ų58.194%0.94428%0.281SS*.SBendtrans-61.8-9.9-174.560.70000115.4E500E500-S502 PolarHBondContact O-N 3.35Å
503H85.5Confident86.6Confident138 Ų13857.1 Ų57.164%0.63928%0.277SS*.SBendtrans-141.9100173.8171.9-80.9000111.2E501E501-H503 PolarHBondContact O-N 3Å
504T87.1Confident86.9Confident29 Ų2957.4 Ų57.418%0.17828%0.278CS..  trans-74.8127.5170.8-43.30000111.3C493 S496 L497 F506C493-T504 HydrophobicContact CB-CG2 4.04Å; S496-T504 WeakPolarHBondContact OG-CA 3.4Å; L497-T504 HydrophobicContact CD1-CG2 4.4Å; L497-T504 HydrophobicContact CD2-CG2 4.12Å; L497-T504 HydrophobicContact CG-CG2 3.85Å; T504-F506 VanDerWaalsContact CB-CE2 3.43Å; T504-F506 HydrophobicContact CG2-CD2 3.76Å; T504-F506 HydrophobicContact CG2-CE1 4.15Å; T504-F506 HydrophobicContact CG2-CE2 3.35Å; T504-F506 HydrophobicContact CG2-CG 4.33Å; T504-F506 HydrophobicContact CG2-CZ 3.57Å; T504-F506 PolarHBondContact O-N 3.19Å
505P90.9Very high87.3Confident17 Ų1757.1 Ų57.111%0.1128%0.277CS..  trans-8039.4-166.533.5-38.7000115.8E492 R507 Q508E492-P505 HydrophobicContact CB-CG 4.22Å; P505-R507 PolarHBondContact O-N 3.32Å; P505-Q508 HydrophobicContact CB-CG 4.04Å; P505-Q508 WeakPolarHBondContact O-CB 3.29Å; P505-Q508 PolarHBondContact O-N 3.11Å
506F91.5Very high87.8Confident18 Ų1856.7 Ų56.78%0.07928%0.276CS..G310 helixtrans-51.7-21.9-174.8-69.7-69.9000115.8C493 L497 T504 T512 Q513 K516 F519 V520C493-F506 HydrophobicContact CB-CD1 4.2Å; C493-F506 HydrophobicContact CB-CE1 4.09Å; L497-F506 HydrophobicContact CD1-CZ 4.21Å; L497-F506 HydrophobicContact CD2-CZ 4.43Å; T504-F506 VanDerWaalsContact CB-CE2 3.43Å; T504-F506 HydrophobicContact CG2-CD2 3.76Å; T504-F506 HydrophobicContact CG2-CE1 4.15Å; T504-F506 HydrophobicContact CG2-CE2 3.35Å; T504-F506 HydrophobicContact CG2-CG 4.33Å; T504-F506 HydrophobicContact CG2-CZ 3.57Å; T504-F506 PolarHBondContact O-N 3.19Å; F506-T512 CarbonylContact O-C 3.57Å; F506-T512 VanDerWaalsContact O-C 3.26Å; F506-T512 WeakPolarHBondContact O-CB 3.49Å; F506-T512 PolarHBondContact O-OG1 2.91Å; F506-Q513 WeakPolarHBondContact O-CA 3.18Å; F506-Q513 PolarHBondContact O-N 3.1Å; F506-K516 HydrophobicContact CB-CG 4.38Å; F506-K516 HydrophobicContact CD1-CB 4.11Å; F506-K516 HydrophobicContact CD1-CG 4.18Å; F506-K516 HydrophobicContact CD2-CG 3.87Å; F506-K516 HydrophobicContact CE1-CB 4.47Å; F506-K516 HydrophobicContact CE1-CG 4.41Å; F506-K516 HydrophobicContact CE2-CG 4.1Å; F506-K516 HydrophobicContact CG-CB 4.21Å; F506-K516 HydrophobicContact CG-CG 3.9Å; F506-K516 HydrophobicContact CZ-CG 4.37Å; F506-F519 HydrophobicContact CE1-CB 4.19Å; F506-F519 HydrophobicContact CE1-CD2 4.21Å; F506-F519 HydrophobicContact CZ-CB 4.19Å; F506-V520 HydrophobicContact CE2-CG2 3.7Å; F506-V520 HydrophobicContact CZ-CG2 3.54Å
507R91.4Very high87.8Confident189 Ų18957.5 Ų57.571%0.71328%0.28SS*.G310 helixtrans-81.7-5.8179.7-66.7-178.4171.3-165-1.2115E389 P505 S509E389-R507 IonicContact OE2-CZ 3.72Å; E389-R507 IonicContact OE2-NE 3.34Å; E389-R507 PolarHBondContact OE2-NE 2.67Å; E389-R507 IonicContact OE2-NH2 3.28Å; E389-R507 PolarHBondContact OE2-NH2 3.09Å; P505-R507 PolarHBondContact O-N 3.32Å; R507-S509 VanDerWaalsContact C-N 3.28Å; R507-S509 PolarHBondContact O-N 3.15Å
508Q91.2Very high87.9Confident102 Ų10255.8 Ų55.848%0.47727%0.272SS..G310 helixtrans-66.3-22.8180-78.2-180-10.900114.8Q485 A489 P505Q485-Q508 PolarHBondContact NE2-O 2.85Å; A489-Q508 HydrophobicContact CB-CB 3.73Å; P505-Q508 HydrophobicContact CB-CG 4.04Å; P505-Q508 WeakPolarHBondContact O-CB 3.29Å; P505-Q508 PolarHBondContact O-N 3.11Å
509S94.3Very high88.2Confident12 Ų1254.6 Ų54.68%0.08426%0.264CS..SBendtrans-145161.6174.280.20000111.8R507 L511 T512 Q513R507-S509 VanDerWaalsContact C-N 3.28Å; R507-S509 PolarHBondContact O-N 3.15Å; S509-L511 VanDerWaalsContact C-N 3.31Å; S509-L511 PolarHBondContact OG-N 3.3Å; S509-T512 PolarHBondContact N-OG1 3.02Å; S509-T512 PolarHBondContact O-OG1 3.22Å; S509-T512 PolarHBondContact OG-N 3.38Å; S509-T512 PolarHBondContact OG-OG1 2.87Å; S509-Q513 WeakPolarHBondContact O-CB 3.46Å; S509-Q513 PolarHBondContact O-N 3.12Å
510K93.8Very high88.2Confident83 Ų8354 Ų5436%0.36127%0.267SS..Hα-helixtrans-70-28.9172.5-68.3-44.8-170.2-167.40113.5I369 G372 L374 Q513 V514I369-K510 HydrophobicContact CD1-CB 4.42Å; I369-K510 HydrophobicContact CG2-CB 4.24Å; G372-K510 WeakPolarHBondContact O-CG 3.34Å; L374-K510 HydrophobicContact CD1-CB 3.75Å; L374-K510 HydrophobicContact CD1-CD 4.32Å; L374-K510 HydrophobicContact CD1-CG 3.81Å; K510-Q513 VanDerWaalsContact CD-OE1 3.24Å; K510-Q513 PolarHBondContact O-N 2.71Å; K510-V514 WeakPolarHBondContact O-CG2 3.41Å; K510-V514 PolarHBondContact O-N 2.79Å
511L93.8Very high88.3Confident0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-61.5-54.3174.5-177.864.8000110.3I369 H437 V458 L460 L490 S509 Q513 V514 L515I369-L511 HydrophobicContact CD1-CB 4.14Å; I369-L511 HydrophobicContact CD1-CD1 4.16Å; H437-L511 HydrophobicContact CB-CD1 4.32Å; V458-L511 HydrophobicContact CG1-CD1 4.49Å; L460-L511 HydrophobicContact CD2-CD1 3.95Å; L460-L511 HydrophobicContact CD2-CD2 3.76Å; L460-L511 HydrophobicContact CD2-CG 4.47Å; L490-L511 HydrophobicContact CD2-CD2 4.4Å; S509-L511 VanDerWaalsContact C-N 3.31Å; S509-L511 PolarHBondContact OG-N 3.3Å; L511-Q513 VanDerWaalsContact C-N 3.33Å; L511-Q513 PolarHBondContact O-N 3.23Å; L511-V514 PolarHBondContact O-N 3.17Å; L511-L515 HydrophobicContact CD1-CD1 3.55Å; L511-L515 HydrophobicContact CD1-CG 4.5Å; L511-L515 HydrophobicContact CG-CD1 3.8Å; L511-L515 WeakPolarHBondContact O-CB 3.44Å; L511-L515 WeakPolarHBondContact O-CD1 3.32Å; L511-L515 VanDerWaalsContact O-CG 3.27Å; L511-L515 WeakPolarHBondContact O-CG 3.03Å; L511-L515 PolarHBondContact O-N 3.35Å
512T93.3Very high88.3Confident0 Ų051.5 Ų51.50%028%0.277CS..Hα-helixtrans-66.2-31.8176.652.60000113.3A489 L490 C493 F506 S509 K516A489-T512 VanDerWaalsContact C-CG2 3.5Å; A489-T512 HydrophobicContact CB-CG2 3.94Å; L490-T512 HydrophobicContact CB-CG2 4.16Å; L490-T512 HydrophobicContact CD1-CG2 4.22Å; C493-T512 HydrophobicContact CB-CG2 4.42Å; F506-T512 CarbonylContact O-C 3.57Å; F506-T512 VanDerWaalsContact O-C 3.26Å; F506-T512 WeakPolarHBondContact O-CB 3.49Å; F506-T512 PolarHBondContact O-OG1 2.91Å; S509-T512 PolarHBondContact N-OG1 3.02Å; S509-T512 PolarHBondContact O-OG1 3.22Å; S509-T512 PolarHBondContact OG-N 3.38Å; S509-T512 PolarHBondContact OG-OG1 2.87Å; T512-K516 PolarHBondContact O-N 3.39Å
513Q93.6Very high88.7Confident19 Ų1945.6 Ų45.69%0.08924%0.236CC..Hα-helixtrans-65-44.6176-167.3-165.6-14.900110.9A387 V395 F506 S509 K510 L511A387-Q513 HydrophobicContact CB-CG 4.5Å; A387-Q513 PolarHBondContact O-NE2 2.61Å; V395-Q513 HydrophobicContact CG1-CG 4.41Å; V395-Q513 WeakPolarHBondContact CG2-O 3.42Å; F506-Q513 WeakPolarHBondContact O-CA 3.18Å; F506-Q513 PolarHBondContact O-N 3.1Å; S509-Q513 WeakPolarHBondContact O-CB 3.46Å; S509-Q513 PolarHBondContact O-N 3.12Å; K510-Q513 VanDerWaalsContact CD-OE1 3.24Å; K510-Q513 PolarHBondContact O-N 2.71Å; L511-Q513 VanDerWaalsContact C-N 3.33Å; L511-Q513 PolarHBondContact O-N 3.23Å
514V92.6Very high89Confident6 Ų643.9 Ų43.94%0.03623%0.227CC..Hα-helixtrans-68.5-41.8178.51670000111.8F367 L374 A387 I397 L439 W456 K510 L511 K516F367-V514 HydrophobicContact CZ-CG1 4.09Å; L374-V514 HydrophobicContact CD2-CG2 4.1Å; A387-V514 HydrophobicContact CB-CG2 4.02Å; I397-V514 HydrophobicContact CD1-CG1 4.06Å; I397-V514 HydrophobicContact CD1-CG2 3.99Å; I397-V514 HydrophobicContact CG1-CG2 4.37Å; L439-V514 HydrophobicContact CD2-CG1 3.87Å; W456-V514 HydrophobicContact CH2-CG1 4.42Å; W456-V514 HydrophobicContact CZ2-CG1 4.45Å; K510-V514 WeakPolarHBondContact O-CG2 3.41Å; K510-V514 PolarHBondContact O-N 2.79Å; L511-V514 PolarHBondContact O-N 3.17Å; V514-K516 VanDerWaalsContact C-N 3.27Å; V514-K516 PolarHBondContact O-N 3.47Å
515L90.8Very high89.3Confident0 Ų042.8 Ų42.80%022%0.22CC..THydrogen-bonded Turntrans-84.45.8-175-62.3166.1000114.1T316 F318 L439 V458 L490 L511 D517 S518 F519T316-L515 HydrophobicContact CG2-CD2 4.3Å; F318-L515 HydrophobicContact CE1-CD1 3.54Å; F318-L515 HydrophobicContact CE1-CD2 4.11Å; F318-L515 HydrophobicContact CE1-CG 4.43Å; F318-L515 HydrophobicContact CZ-CD1 3.87Å; F318-L515 HydrophobicContact CZ-CD2 4.14Å; F318-L515 HydrophobicContact CZ-CG 4.49Å; L439-L515 HydrophobicContact CD2-CD2 4.15Å; V458-L515 HydrophobicContact CG2-CD2 3.95Å; L490-L515 HydrophobicContact CD1-CD1 4.5Å; L511-L515 HydrophobicContact CD1-CD1 3.55Å; L511-L515 HydrophobicContact CD1-CG 4.5Å; L511-L515 HydrophobicContact CG-CD1 3.8Å; L511-L515 WeakPolarHBondContact O-CB 3.44Å; L511-L515 WeakPolarHBondContact O-CD1 3.32Å; L511-L515 VanDerWaalsContact O-CG 3.27Å; L511-L515 WeakPolarHBondContact O-CG 3.03Å; L511-L515 PolarHBondContact O-N 3.35Å; L515-D517 PolarHBondContact O-N 2.88Å; L515-S518 WeakPolarHBondContact O-CB 3.44Å; L515-S518 PolarHBondContact O-N 3.28Å; L515-F519 HydrophobicContact CB-CD2 4.35Å; L515-F519 HydrophobicContact CB-CE2 3.98Å; L515-F519 VanDerWaalsContact O-CD2 3.24Å; L515-F519 WeakPolarHBondContact O-CD2 3.38Å
516K90.3Very high89.5Confident33 Ų3342.1 Ų42.114%0.14322%0.216CC..Hα-helixtrans-50.1-45.1176.9-175.5-168.6177.5-160.40112.1E389 K393 V395 F506 T512 V514 S518 F519 V520E389-K516 IonicContact OE1-NZ 2.76Å; E389-K516 PolarHBondContact OE1-NZ 3.26Å; K393-K516 PolarHBondContact O-NZ 3.13Å; V395-K516 HydrophobicContact CG2-CB 4.46Å; V395-K516 HydrophobicContact CG2-CD 4.03Å; F506-K516 HydrophobicContact CB-CG 4.38Å; F506-K516 HydrophobicContact CD1-CB 4.11Å; F506-K516 HydrophobicContact CD1-CG 4.18Å; F506-K516 HydrophobicContact CD2-CG 3.87Å; F506-K516 HydrophobicContact CE1-CB 4.47Å; F506-K516 HydrophobicContact CE1-CG 4.41Å; F506-K516 HydrophobicContact CE2-CG 4.1Å; F506-K516 HydrophobicContact CG-CB 4.21Å; F506-K516 HydrophobicContact CG-CG 3.9Å; F506-K516 HydrophobicContact CZ-CG 4.37Å; T512-K516 PolarHBondContact O-N 3.39Å; V514-K516 VanDerWaalsContact C-N 3.27Å; V514-K516 PolarHBondContact O-N 3.47Å; K516-S518 PolarHBondContact O-N 3.35Å; K516-F519 PolarHBondContact O-N 3.41Å; K516-V520 PolarHBondContact O-N 3.49Å
517D85.3Confident89.6Confident17 Ų1741.7 Ų41.79%0.09121%0.214CC..Hα-helixtrans-66.6-14.5177.8-89.761.3000114.4K314 L515K314-D517 IonicContact NZ-OD2 3.45Å; K314-D517 PolarHBondContact NZ-OD2 3.29Å; L515-D517 PolarHBondContact O-N 2.88Å
518S84.4Confident89.9Confident2 Ų232.7 Ų32.71%0.01418%0.18CC..Hα-helixtrans-84.7-22.4178-55.40000113.4T316 L515 K516 S523 T525T316-S518 VanDerWaalsContact OG1-CB 3.23Å; T316-S518 WeakPolarHBondContact OG1-CB 3.19Å; T316-S518 PolarHBondContact OG1-OG 2.88Å; L515-S518 WeakPolarHBondContact O-CB 3.44Å; L515-S518 PolarHBondContact O-N 3.28Å; K516-S518 PolarHBondContact O-N 3.35Å; S518-S523 PolarHBondContact O-OG 3.45Å; S518-T525 PolarHBondContact O-OG1 3.06Å; S518-T525 VanDerWaalsContact O-OG1 3.08Å
519F81.9Confident90.2Very high23 Ų2327.8 Ų27.810%0.10116%0.158CC..Hα-helixtrans-113.6-3-173.6-63.5-71.1000113.6I231 F318 L490 I494 L497 F506 L515 K516 T525I231-F519 HydrophobicContact CD1-CD1 4.23Å; I231-F519 HydrophobicContact CD1-CE1 4.29Å; F318-F519 HydrophobicContact CE2-CE1 4.19Å; F318-F519 HydrophobicContact CE2-CE2 4.47Å; F318-F519 AromaticContact CE2-CZ 3.66Å; F318-F519 HydrophobicContact CE2-CZ 3.66Å; F318-F519 HydrophobicContact CZ-CE2 4.03Å; F318-F519 AromaticContact CZ-CZ 3.62Å; F318-F519 HydrophobicContact CZ-CZ 3.62Å; L490-F519 HydrophobicContact CD1-CE2 3.71Å; L490-F519 HydrophobicContact CD1-CZ 3.77Å; I494-F519 HydrophobicContact CD1-CE1 4.22Å; I494-F519 HydrophobicContact CD1-CZ 4.3Å; I494-F519 HydrophobicContact CG1-CE1 4.1Å; I494-F519 HydrophobicContact CG1-CZ 4.44Å; L497-F519 HydrophobicContact CD1-CB 3.72Å; L497-F519 HydrophobicContact CD1-CG 4.34Å; F506-F519 HydrophobicContact CE1-CB 4.19Å; F506-F519 HydrophobicContact CE1-CD2 4.21Å; F506-F519 HydrophobicContact CZ-CB 4.19Å; L515-F519 HydrophobicContact CB-CD2 4.35Å; L515-F519 HydrophobicContact CB-CE2 3.98Å; L515-F519 VanDerWaalsContact O-CD2 3.24Å; L515-F519 WeakPolarHBondContact O-CD2 3.38Å; K516-F519 PolarHBondContact O-N 3.41Å; F519-T525 HydrophobicContact CE1-CG2 4.46Å
520V81.9Confident90.4Very high71 Ų7127.3 Ų27.343%0.4315%0.154SC..SBendtrans-135.7128.6-174.2-175.70000111L497 F506 K516L497-V520 HydrophobicContact CD2-CG2 4.45Å; F506-V520 HydrophobicContact CE2-CG2 3.7Å; F506-V520 HydrophobicContact CZ-CG2 3.54Å; K516-V520 PolarHBondContact O-N 3.49Å
521G79.7Confident90.5Very high67 Ų6723.3 Ų23.369%0.69114%0.137SC*.SBendtrans89.5-161.9-175.700000112.4S523G521-S523 PolarHBondContact O-N 3.49Å; G521-S523 VanDerWaalsContact O-N 3.11Å
522D82.2Confident90.6Very high120 Ų12023.4 Ų23.464%0.64214%0.137SC*.SBendtrans-73.798.5172.2-177.230.5000109.8H308H308-D522 IonicContact CE1-OD1 2.86Å; H308-D522 IonicContact CE1-OD2 3.51Å; H308-D522 IonicContact NE2-OD1 2.77Å
523S88.4Confident90.7Very high12 Ų1223.4 Ų23.48%0.08414%0.137CC..EExtended strand (participates in β ladder)trans-153.4131.1174.7178.10000110.2K314 S518 G521K314-S523 CarbonylContact O-C 3.44Å; K314-S523 WeakPolarHBondContact O-CA 3.46Å; K314-S523 PolarHBondContact O-OG 3Å; S518-S523 PolarHBondContact O-OG 3.45Å; G521-S523 PolarHBondContact O-N 3.49Å; G521-S523 VanDerWaalsContact O-N 3.11Å
524K91.8Very high90.8Very high101 Ų10122.5 Ų22.544%0.43913%0.133SC..EExtended strand (participates in β ladder)trans-96.7130174.6-65-169.1-178-167.90111.3L305 H308 K314 A315 T316L305-K524 HydrophobicContact CD2-CB 3.65Å; L305-K524 WeakPolarHBondContact CD2-O 2.94Å; H308-K524 HydrophobicContact CB-CD 4.13Å; K314-K524 PolarHBondContact O-N 3.46Å; A315-K524 CarbonylContact C-O 3.56Å; A315-K524 VanDerWaalsContact CA-O 3.25Å; A315-K524 WeakPolarHBondContact CA-O 3.24Å; T316-K524 PolarHBondContact N-O 3.28Å
525T92.7Very high90.8Very high6 Ų626.5 Ų26.54%0.03715%0.151CC..EExtended strand (participates in β ladder)trans-118.3138.9-179.9-750000111.5R230 I231 S232 T316 F318 S518 F519R230-T525 PolarHBondContact O-N 3.48Å; I231-T525 WeakPolarHBondContact CA-O 3.4Å; I231-T525 HydrophobicContact CG1-CG2 4.2Å; I231-T525 HydrophobicContact CG2-CG2 4.15Å; S232-T525 PolarHBondContact N-O 3.31Å; T316-T525 CarbonylContact O-C 3.45Å; T316-T525 VanDerWaalsContact O-CA 3.31Å; T316-T525 WeakPolarHBondContact O-CA 3.29Å; F318-T525 HydrophobicContact CD2-CG2 3.81Å; F318-T525 HydrophobicContact CE2-CG2 3.61Å; S518-T525 PolarHBondContact O-OG1 3.06Å; S518-T525 VanDerWaalsContact O-OG1 3.08Å; F519-T525 HydrophobicContact CE1-CG2 4.46Å
526C94.7Very high90.8Very high4 Ų430.2 Ų30.23%0.02718%0.177CC..EExtended strand (participates in β ladder)trans-121.2136.5167-173.10000110.2S232 L305 T316 C317 F318S232-C526 CarbonylContact O-C 3.56Å; S232-C526 WeakPolarHBondContact O-CA 3.39Å; L305-C526 HydrophobicContact CD1-CB 3.72Å; L305-C526 HydrophobicContact CG-CB 4.39Å; T316-C526 PolarHBondContact O-N 3.03Å; C317-C526 CarbonylContact C-O 3.56Å; C317-C526 WeakPolarHBondContact CA-O 3.37Å; F318-C526 PolarHBondContact N-O 3.29Å
527M94.8Very high90.9Very high8 Ų828.9 Ų28.94%0.03917%0.172CC..EExtended strand (participates in β ladder)trans-114.5121173.2177177.9165.300110.3S232 V233 C234 F318 Y320 A529 Y547 A548 V551S232-M527 PolarHBondContact O-N 3.01Å; V233-M527 HydrophobicContact CG2-CB 4.47Å; C234-M527 PolarHBondContact N-O 3.02Å; F318-M527 HydrophobicContact CB-CG 4.47Å; Y320-M527 HydrophobicContact CD1-CE 3.62Å; Y320-M527 HydrophobicContact CE1-CE 4.43Å; Y320-M527 HydrophobicContact CG-CE 3.85Å; M527-A529 HydrophobicContact CE-CB 4.38Å; M527-Y547 HydrophobicContact CE-CD1 3.64Å; M527-Y547 HydrophobicContact CE-CE1 3.68Å; M527-Y547 HydrophobicContact SD-CE1 4.35Å; M527-A548 HydrophobicContact CE-CB 3.99Å; M527-V551 HydrophobicContact SD-CB 3.97Å; M527-V551 HydrophobicContact SD-CG1 3.83Å; M527-V551 HydrophobicContact SD-CG2 3.91Å
528I97.4Very high91.3Very high0 Ų028.6 Ų28.60%017%0.171CC..EExtended strand (participates in β ladder)trans-101.1108173-51.3178.3000108.1C234 R236 V297 T301 F318 A319 Y320 T330 L341 N530C234-I528 CarbonylContact O-C 3.58Å; C234-I528 WeakPolarHBondContact O-CA 3.27Å; R236-I528 HydrophobicContact CB-CG2 4.28Å; V297-I528 HydrophobicContact CG1-CD1 4.07Å; T301-I528 HydrophobicContact CG2-CD1 4.08Å; T301-I528 HydrophobicContact CG2-CG1 4.09Å; F318-I528 WeakPolarHBondContact O-CB 3.41Å; F318-I528 PolarHBondContact O-N 3.41Å; A319-I528 WeakPolarHBondContact CA-O 3.04Å; Y320-I528 PolarHBondContact N-O 3Å; T330-I528 HydrophobicContact CG2-CD1 4.21Å; L341-I528 HydrophobicContact CD2-CD1 3.6Å; I528-N530 PolarHBondContact O-N 3.27Å
529A97.1Very high91.7Very high0 Ų032.6 Ų32.60%019%0.19CC..EExtended strand (participates in β ladder)trans-88.999.317500000109.9C234 V235 R236 M527 T544 A548C234-A529 PolarHBondContact O-N 3.4Å; V235-A529 WeakPolarHBondContact CA-O 3.39Å; V235-A529 HydrophobicContact CG2-CB 3.97Å; R236-A529 PolarHBondContact N-O 3.24Å; M527-A529 HydrophobicContact CE-CB 4.38Å; A529-T544 HydrophobicContact CB-CG2 4.21Å; A529-A548 HydrophobicContact CB-CB 3.75Å
530N97.3Very high92.2Very high1 Ų133.4 Ų33.41%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-77.7129.9175.3-70.5103.7000110.5R236 Y320 A325 K327 T330 I528R236-N530 WeakPolarHBondContact O-CA 3.02Å; Y320-N530 PolarHBondContact O-N 2.9Å; A325-N530 HydrophobicContact CB-CB 3.85Å; A325-N530 WeakPolarHBondContact CB-O 3.29Å; K327-N530 WeakPolarHBondContact CA-OD1 3.46Å; K327-N530 HydrophobicContact CG-CB 4.04Å; T330-N530 PolarHBondContact OG1-ND2 3.29Å; T330-N530 VanDerWaalsContact OG1-ND2 3.09Å; I528-N530 PolarHBondContact O-N 3.27Å
531I97.2Very high92.8Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-126.1146.6-179.661.6176.6000112.6V235 R236 K237 R238 V253 T541 T544 L545V235-I531 HydrophobicContact CG1-CD1 3.66Å; V235-I531 HydrophobicContact CG1-CG1 4.11Å; R236-I531 PolarHBondContact O-N 3.41Å; K237-I531 HydrophobicContact CB-CD1 4.47Å; K237-I531 HydrophobicContact CB-CG1 4.3Å; R238-I531 PolarHBondContact N-O 2.83Å; V253-I531 HydrophobicContact CG1-CD1 3.74Å; I531-T541 HydrophobicContact CB-CG2 3.96Å; I531-T541 HydrophobicContact CD1-CG2 4.22Å; I531-T541 HydrophobicContact CG2-CG2 4.13Å; I531-T544 HydrophobicContact CG2-CG2 3.79Å; I531-L545 HydrophobicContact CD1-CD1 4.48Å; I531-L545 HydrophobicContact CD1-CD2 4.26Å; I531-L545 HydrophobicContact CG2-CD2 3.93Å; I531-L545 HydrophobicContact CG2-CG 4.19Å
532S95.6Very high93.5Very high1 Ų126.9 Ų26.91%0.00714%0.141CC..  trans-88.8138173-70.90000110.2R238 Q322 T541R238-S532 PolarHBondContact NH2-OG 3.37Å; R238-S532 VanDerWaalsContact NH2-OG 3.07Å; Q322-S532 PolarHBondContact OE1-OG 2.92Å; S532-T541 PolarHBondContact N-OG1 3.19Å; S532-T541 PolarHBondContact O-OG1 3.22Å
533P96.1Very high93.9Very high0 Ų023.2 Ų23.20%012%0.121CC..  trans-81.4-26.5-179.132.2-37.8000114.6K237 R238 L240 D251 V252K237-P533 HydrophobicContact CG-CB 4.49Å; R238-P533 WeakPolarHBondContact O-CD 3.32Å; R238-P533 VanDerWaalsContact O-CG 3.29Å; R238-P533 WeakPolarHBondContact O-CG 3.44Å; L240-P533 HydrophobicContact CD2-CB 4.43Å; L240-P533 HydrophobicContact CD2-CG 3.79Å; L240-P533 HydrophobicContact CG-CB 4.37Å; L240-P533 HydrophobicContact CG-CG 3.82Å; D251-P533 WeakPolarHBondContact OD2-CB 3.34Å; V252-P533 WeakPolarHBondContact CG2-O 3.41Å; V252-P533 PolarHBondContact N-O 3.33Å
534G94.9Very high94.2Very high0 Ų022.7 Ų22.70%012%0.117CC..BIsolated β-bridgetrans-69.6145.1-169.500000114.1V250 S536 A537V250-G534 CarbonylContact O-C 3.57Å; V250-G534 WeakPolarHBondContact O-CA 3.39Å; G534-S536 VanDerWaalsContact C-N 3.28Å; G534-S536 PolarHBondContact O-N 3.01Å; G534-A537 WeakPolarHBondContact O-CA 3.35Å; G534-A537 WeakPolarHBondContact O-CB 3.49Å; G534-A537 PolarHBondContact O-N 3.46Å
535H93Very high94.3Very high90 Ų9017.9 Ų17.942%0.41710%0.096SC..G310 helixtrans-52.3-40-179.7178.655000113.8V250 V252 A537 T538V250-H535 PolarHBondContact O-N 2.87Å; V252-H535 HydrophobicContact CG1-CB 3.84Å; H535-A537 PolarHBondContact O-N 3.18Å; H535-A537 VanDerWaalsContact O-N 3.08Å; H535-T538 WeakPolarHBondContact O-CB 3.36Å; H535-T538 PolarHBondContact O-N 3.28Å; H535-T538 VanDerWaalsContact O-N 3.08Å; H535-T538 PolarHBondContact O-OG1 3.33Å
536S91.2Very high94.2Very high78 Ų7821.4 Ų21.455%0.54511%0.109SC..G310 helixtrans-61.7-17.2176.562.10000114.4E249 G534E249-S536 WeakPolarHBondContact OE1-CB 3.48Å; E249-S536 PolarHBondContact OE1-OG 3.08Å; E249-S536 WeakPolarHBondContact OE2-CB 2.96Å; E249-S536 PolarHBondContact OE2-N 3.26Å; E249-S536 VanDerWaalsContact OE2-N 3.13Å; E249-S536 PolarHBondContact OE2-OG 2.86Å; G534-S536 VanDerWaalsContact C-N 3.28Å; G534-S536 PolarHBondContact O-N 3.01Å
537A91.8Very high93.9Very high5 Ų522.1 Ų22.14%0.04111%0.111CC..G310 helixtrans-94.90.8177.400000114.6G534 H535 E539 H540 T541G534-A537 WeakPolarHBondContact O-CA 3.35Å; G534-A537 WeakPolarHBondContact O-CB 3.49Å; G534-A537 PolarHBondContact O-N 3.46Å; H535-A537 PolarHBondContact O-N 3.18Å; H535-A537 VanDerWaalsContact O-N 3.08Å; A537-E539 VanDerWaalsContact C-N 3.34Å; A537-E539 PolarHBondContact O-N 2.85Å; A537-E539 VanDerWaalsContact O-N 3.17Å; A537-H540 PolarHBondContact O-N 3.3Å; A537-T541 PolarHBondContact O-N 3.48Å
538T94.3Very high93.7Very high12 Ų1221.8 Ų21.87%0.07411%0.109CC..Hα-helixtrans-50.3-47.2-170.2-54.50000113.3V264 E266 H535 H540 T541 L542V264-T538 HydrophobicContact CG1-CG2 4.13Å; E266-T538 HydrophobicContact CB-CG2 4.05Å; E266-T538 HydrophobicContact CG-CG2 3.93Å; H535-T538 WeakPolarHBondContact O-CB 3.36Å; H535-T538 PolarHBondContact O-N 3.28Å; H535-T538 VanDerWaalsContact O-N 3.08Å; H535-T538 PolarHBondContact O-OG1 3.33Å; T538-H540 PolarHBondContact O-N 2.78Å; T538-T541 PolarHBondContact O-N 3.03Å; T538-L542 HydrophobicContact CG2-CD1 4Å; T538-L542 HydrophobicContact CG2-CG 4.48Å; T538-L542 WeakPolarHBondContact O-CB 3.29Å; T538-L542 WeakPolarHBondContact O-CG 3.34Å; T538-L542 PolarHBondContact O-N 3.16Å
539E92.1Very high93.3Very high86 Ų8624.2 Ų24.240%0.40212%0.122SC..Hα-helixtrans-65.8-41.2-179.4-153.2-148.4137.600112.1R465 A537 L542 N543R465-E539 IonicContact CZ-OE1 3.54Å; R465-E539 IonicContact NH1-OE1 2.69Å; R465-E539 PolarHBondContact NH1-OE1 2.97Å; R465-E539 IonicContact NH1-OE2 3.3Å; R465-E539 PolarHBondContact NH1-OE2 2.87Å; R465-E539 IonicContact NH2-OE1 3.65Å; R465-E539 PolarHBondContact NH2-OE1 3.34Å; A537-E539 VanDerWaalsContact C-N 3.34Å; A537-E539 PolarHBondContact O-N 2.85Å; A537-E539 VanDerWaalsContact O-N 3.17Å; E539-L542 PolarHBondContact O-N 3.28Å; E539-N543 VanDerWaalsContact O-CB 3.29Å; E539-N543 WeakPolarHBondContact O-CB 3.34Å; E539-N543 PolarHBondContact O-N 3.22Å; E539-N543 PolarHBondContact O-ND2 2.97Å; E539-N543 PolarHBondContact OE1-ND2 3.1Å
540H91.5Very high92.6Very high39 Ų3929.1 Ų29.118%0.18114%0.141CC..Hα-helixtrans-67.6-39.7178.8-57.3-49.1000111.9Q322 D468 A537 T538 N543 T544Q322-H540 HydrophobicContact CB-CB 4.17Å; Q322-H540 HydrophobicContact CG-CB 4.37Å; Q322-H540 VanDerWaalsContact OE1-CB 3.3Å; D468-H540 IonicContact OD2-CE1 2.69Å; D468-H540 PolarHBondContact OD2-CE1 3.46Å; A537-H540 PolarHBondContact O-N 3.3Å; T538-H540 PolarHBondContact O-N 2.78Å; H540-N543 PolarHBondContact O-N 2.88Å; H540-T544 VanDerWaalsContact O-CB 3.29Å; H540-T544 WeakPolarHBondContact O-CB 3.34Å; H540-T544 PolarHBondContact O-N 3.15Å; H540-T544 PolarHBondContact O-OG1 2.78Å
541T94.9Very high91.9Very high1 Ų129.2 Ų29.21%0.00614%0.142CC..Hα-helixtrans-64.8-45.8174.3-75.70000110.8V253 V264 I531 S532 A537 T538 N543 T544 L545V253-T541 HydrophobicContact CG2-CG2 4.07Å; V264-T541 HydrophobicContact CG2-CG2 3.94Å; I531-T541 HydrophobicContact CB-CG2 3.96Å; I531-T541 HydrophobicContact CD1-CG2 4.22Å; I531-T541 HydrophobicContact CG2-CG2 4.13Å; S532-T541 PolarHBondContact N-OG1 3.19Å; S532-T541 PolarHBondContact O-OG1 3.22Å; A537-T541 PolarHBondContact O-N 3.48Å; T538-T541 PolarHBondContact O-N 3.03Å; T541-N543 PolarHBondContact O-N 3.23Å; T541-T544 WeakPolarHBondContact O-CB 3.28Å; T541-T544 PolarHBondContact O-N 2.92Å; T541-T544 VanDerWaalsContact O-N 3.13Å; T541-L545 HydrophobicContact CG2-CD1 4.14Å; T541-L545 HydrophobicContact CG2-CG 4.45Å; T541-L545 WeakPolarHBondContact O-CG 3.45Å; T541-L545 PolarHBondContact O-N 3.1Å
542L94.7Very high91.3Very high1 Ų131.9 Ų31.91%0.00515%0.153CC..Hα-helixtrans-60.6-44.7174.1-72.5171.5000112.5V264 E266 H280 Y282 T538 E539 T544 L545 R546V264-L542 HydrophobicContact CB-CD2 3.9Å; V264-L542 HydrophobicContact CG1-CD2 3.93Å; V264-L542 HydrophobicContact CG1-CG 4.12Å; V264-L542 HydrophobicContact CG2-CD2 4.17Å; E266-L542 HydrophobicContact CB-CD1 4.32Å; E266-L542 HydrophobicContact CG-CD1 4.24Å; H280-L542 HydrophobicContact CB-CD2 3.8Å; Y282-L542 HydrophobicContact CE2-CD2 4.16Å; Y282-L542 WeakPolarHBondContact OH-CD2 3.45Å; T538-L542 HydrophobicContact CG2-CD1 4Å; T538-L542 HydrophobicContact CG2-CG 4.48Å; T538-L542 WeakPolarHBondContact O-CB 3.29Å; T538-L542 WeakPolarHBondContact O-CG 3.34Å; T538-L542 PolarHBondContact O-N 3.16Å; E539-L542 PolarHBondContact O-N 3.28Å; L542-T544 PolarHBondContact O-N 3.01Å; L542-L545 PolarHBondContact O-N 2.97Å; L542-R546 WeakPolarHBondContact O-CB 3.43Å; L542-R546 WeakPolarHBondContact O-CD 3.45Å; L542-R546 WeakPolarHBondContact O-CG 3.33Å; L542-R546 PolarHBondContact O-N 3.15Å
543N91.6Very high90.2Very high42 Ų4237 Ų3723%0.22518%0.177CC..Hα-helixtrans-65.7-26.3176-71.8-33.4000112.8R465 E539 H540 T541R465-N543 PolarHBondContact NH2-ND2 3.16Å; E539-N543 VanDerWaalsContact O-CB 3.29Å; E539-N543 WeakPolarHBondContact O-CB 3.34Å; E539-N543 PolarHBondContact O-N 3.22Å; E539-N543 PolarHBondContact O-ND2 2.97Å; E539-N543 PolarHBondContact OE1-ND2 3.1Å; H540-N543 PolarHBondContact O-N 2.88Å; T541-N543 PolarHBondContact O-N 3.23Å
544T93.6Very high88.8Confident1 Ų137.5 Ų37.51%0.00618%0.18CC..Hα-helixtrans-76.2-48.5175.2-61.60000111.1Y320 A529 I531 H540 T541 L542 Y547 A548Y320-T544 HydrophobicContact CD1-CG2 3.94Å; Y320-T544 HydrophobicContact CE1-CG2 3.89Å; A529-T544 HydrophobicContact CB-CG2 4.21Å; I531-T544 HydrophobicContact CG2-CG2 3.79Å; H540-T544 VanDerWaalsContact O-CB 3.29Å; H540-T544 WeakPolarHBondContact O-CB 3.34Å; H540-T544 PolarHBondContact O-N 3.15Å; H540-T544 PolarHBondContact O-OG1 2.78Å; T541-T544 WeakPolarHBondContact O-CB 3.28Å; T541-T544 PolarHBondContact O-N 2.92Å; T541-T544 VanDerWaalsContact O-N 3.13Å; L542-T544 PolarHBondContact O-N 3.01Å; T544-Y547 PolarHBondContact O-N 3.44Å; T544-A548 PolarHBondContact O-N 3.48Å
545L94.6Very high86.9Confident0 Ų047 Ų470%022%0.216CC..Hα-helixtrans-65.2-46.4179.7-67.2-179.2000112.3V235 A262 V264 Y282 F284 I531 T541 L542 Y547 A548 D549V235-L545 HydrophobicContact CB-CD2 4.43Å; V235-L545 HydrophobicContact CG1-CD2 3.98Å; V235-L545 HydrophobicContact CG2-CD2 3.51Å; A262-L545 HydrophobicContact CB-CD1 4.44Å; V264-L545 HydrophobicContact CG2-CD1 3.47Å; V264-L545 VanDerWaalsContact CG2-CD1 3.47Å; Y282-L545 HydrophobicContact CD1-CB 4.19Å; Y282-L545 HydrophobicContact CD2-CB 3.99Å; Y282-L545 HydrophobicContact CD2-CD1 3.64Å; Y282-L545 HydrophobicContact CD2-CG 4.42Å; Y282-L545 HydrophobicContact CE1-CB 4.14Å; Y282-L545 HydrophobicContact CE2-CB 3.94Å; Y282-L545 HydrophobicContact CE2-CD1 3.81Å; Y282-L545 HydrophobicContact CG-CB 4.12Å; Y282-L545 HydrophobicContact CG-CD1 4.38Å; F284-L545 HydrophobicContact CE2-CD2 3.81Å; F284-L545 HydrophobicContact CZ-CB 4.48Å; F284-L545 HydrophobicContact CZ-CD2 3.98Å; I531-L545 HydrophobicContact CD1-CD1 4.48Å; I531-L545 HydrophobicContact CD1-CD2 4.26Å; I531-L545 HydrophobicContact CG2-CD2 3.93Å; I531-L545 HydrophobicContact CG2-CG 4.19Å; T541-L545 HydrophobicContact CG2-CD1 4.14Å; T541-L545 HydrophobicContact CG2-CG 4.45Å; T541-L545 WeakPolarHBondContact O-CG 3.45Å; T541-L545 PolarHBondContact O-N 3.1Å; L542-L545 PolarHBondContact O-N 2.97Å; L545-Y547 PolarHBondContact O-N 3.5Å; L545-A548 PolarHBondContact O-N 3.01Å; L545-A548 VanDerWaalsContact O-N 3.13Å; L545-D549 VanDerWaalsContact O-CB 3.31Å; L545-D549 WeakPolarHBondContact O-CB 3.38Å; L545-D549 PolarHBondContact O-N 3.08Å
546R90.7Very high86.6Confident81 Ų8144.9 Ų44.931%0.30621%0.205SC..Hα-helixtrans-57.6-33.3175.8-69.7167.5-173.3162.31.8113.1H280 Y282 L542 R550H280-R546 PolarHBondContact CE1-NH2 3.03Å; Y282-R546 HydrophobicContact CE1-CG 3.93Å; Y282-R546 WeakPolarHBondContact OH-CG 3.28Å; Y282-R546 PolarHBondContact OH-NE 3.33Å; L542-R546 WeakPolarHBondContact O-CB 3.43Å; L542-R546 WeakPolarHBondContact O-CD 3.45Å; L542-R546 WeakPolarHBondContact O-CG 3.33Å; L542-R546 PolarHBondContact O-N 3.15Å; R546-R550 PolarHBondContact O-N 3.41Å
547Y87.1Confident86.3Confident19 Ų1943.2 Ų43.28%0.07519%0.188CC..Hα-helixtrans-73.8-47.3175.1177.6-118.4000111.8Y320 K491 I494 M527 T544 L545 D549 R550 V551Y320-Y547 AromaticContact CD1-CD1 3.82Å; Y320-Y547 HydrophobicContact CD1-CD1 3.82Å; Y320-Y547 HydrophobicContact CD1-CE1 4.3Å; Y320-Y547 HydrophobicContact CD2-CD1 4.33Å; Y320-Y547 HydrophobicContact CD2-CE1 4.14Å; Y320-Y547 AromaticContact CE1-CD1 3.38Å; Y320-Y547 HydrophobicContact CE1-CD1 3.38Å; Y320-Y547 HydrophobicContact CE1-CE1 4.15Å; Y320-Y547 HydrophobicContact CE1-CG 4.25Å; Y320-Y547 AromaticContact CE2-CD1 3.91Å; Y320-Y547 HydrophobicContact CE2-CD1 3.91Å; Y320-Y547 AromaticContact CE2-CE1 3.94Å; Y320-Y547 HydrophobicContact CE2-CE1 3.94Å; Y320-Y547 HydrophobicContact CG-CD1 4.28Å; Y320-Y547 HydrophobicContact CG-CE1 4.31Å; Y320-Y547 AromaticContact CZ-CD1 3.42Å; Y320-Y547 VanDerWaalsContact CZ-CD1 3.42Å; Y320-Y547 AromaticContact CZ-CE1 3.95Å; K491-Y547 HydrophobicContact CB-CE2 3.79Å; K491-Y547 HydrophobicContact CD-CD2 3.45Å; K491-Y547 VanDerWaalsContact CD-CD2 3.45Å; K491-Y547 HydrophobicContact CD-CE2 3.39Å; K491-Y547 HydrophobicContact CD-CG 4.26Å; K491-Y547 VanDerWaalsContact CE-CD2 3.48Å; K491-Y547 HydrophobicContact CG-CD2 3.98Å; K491-Y547 HydrophobicContact CG-CE2 3.33Å; I494-Y547 WeakPolarHBondContact CD1-OH 3.5Å; M527-Y547 HydrophobicContact CE-CD1 3.64Å; M527-Y547 HydrophobicContact CE-CE1 3.68Å; M527-Y547 HydrophobicContact SD-CE1 4.35Å; T544-Y547 PolarHBondContact O-N 3.44Å; L545-Y547 PolarHBondContact O-N 3.5Å; Y547-D549 VanDerWaalsContact C-N 3.27Å; Y547-D549 PolarHBondContact O-N 3.47Å; Y547-R550 PolarHBondContact O-N 3.24Å; Y547-V551 HydrophobicContact CD2-CG2 4.24Å; Y547-V551 HydrophobicContact CE1-CG2 4.12Å; Y547-V551 HydrophobicContact CE2-CG2 3.77Å; Y547-V551 WeakPolarHBondContact O-CG2 3.44Å; Y547-V551 PolarHBondContact O-N 2.75Å
548A91.1Very high86Confident0 Ų045.3 Ų45.30%020%0.196CC..Hα-helixtrans-57.6-42175.900000111.7V233 F284 M527 A529 T544 L545 R550 V551 K552V233-A548 HydrophobicContact CG1-CB 3.81Å; F284-A548 HydrophobicContact CD1-CB 4.44Å; F284-A548 HydrophobicContact CE1-CB 3.59Å; F284-A548 HydrophobicContact CZ-CB 4.1Å; M527-A548 HydrophobicContact CE-CB 3.99Å; A529-A548 HydrophobicContact CB-CB 3.75Å; T544-A548 PolarHBondContact O-N 3.48Å; L545-A548 PolarHBondContact O-N 3.01Å; L545-A548 VanDerWaalsContact O-N 3.13Å; A548-R550 PolarHBondContact O-N 3.2Å; A548-V551 PolarHBondContact O-N 2.89Å; A548-V551 VanDerWaalsContact O-N 3.1Å; A548-K552 PolarHBondContact O-N 3.08Å
549D88.9Confident85.5Confident52 Ų5247.2 Ų47.228%0.27820%0.203SC..Hα-helixtrans-60.8-45.7178.6-160.145.8000110.7Y282 F284 L545 Y547 V551 K552 E553Y282-D549 HydrophobicContact CD1-CB 4.2Å; F284-D549 HydrophobicContact CE1-CB 4.31Å; F284-D549 HydrophobicContact CZ-CB 4.31Å; L545-D549 VanDerWaalsContact O-CB 3.31Å; L545-D549 WeakPolarHBondContact O-CB 3.38Å; L545-D549 PolarHBondContact O-N 3.08Å; Y547-D549 VanDerWaalsContact C-N 3.27Å; Y547-D549 PolarHBondContact O-N 3.47Å; D549-V551 VanDerWaalsContact C-N 3.31Å; D549-V551 PolarHBondContact O-N 3.05Å; D549-K552 WeakPolarHBondContact O-CA 3.42Å; D549-K552 WeakPolarHBondContact O-CB 3.26Å; D549-K552 PolarHBondContact O-N 3.33Å; D549-E553 PolarHBondContact O-N 2.94Å; D549-E553 VanDerWaalsContact O-N 3.1Å
550R82.5Confident85.1Confident103 Ų10344.8 Ų44.839%0.38919%0.19SC..Hα-helixtrans-66.8-28173.8-173.454.7-175.1-165.89.4114D498 R546 Y547 A548 K552 E553D498-R550 IonicContact OD2-CZ 3.47Å; D498-R550 IonicContact OD2-NE 3.53Å; D498-R550 IonicContact OD2-NH2 2.74Å; D498-R550 PolarHBondContact OD2-NH2 2.99Å; R546-R550 PolarHBondContact O-N 3.41Å; Y547-R550 PolarHBondContact O-N 3.24Å; A548-R550 PolarHBondContact O-N 3.2Å; R550-K552 VanDerWaalsContact C-N 3.31Å; R550-E553 WeakPolarHBondContact CD-OE2 3.28Å; R550-E553 IonicContact CZ-OE2 2.69Å; R550-E553 IonicContact NE-OE2 3.61Å; R550-E553 IonicContact NH1-OE1 3.52Å; R550-E553 IonicContact NH1-OE2 2.9Å; R550-E553 PolarHBondContact NH1-OE2 3.21Å
551V83.5Confident84.7Confident3 Ų345.2 Ų45.22%0.01819%0.191CC..Hα-helixtrans-72.1-28171.9178.50000111.2I231 V233 I494 M527 Y547 A548 D549 L554I231-V551 HydrophobicContact CG2-CG1 3.86Å; V233-V551 HydrophobicContact CG2-CB 4.14Å; V233-V551 HydrophobicContact CG2-CG1 3.79Å; I494-V551 HydrophobicContact CD1-CG1 4.48Å; I494-V551 HydrophobicContact CD1-CG2 4.06Å; I494-V551 HydrophobicContact CG2-CG2 3.93Å; M527-V551 HydrophobicContact SD-CB 3.97Å; M527-V551 HydrophobicContact SD-CG1 3.83Å; M527-V551 HydrophobicContact SD-CG2 3.91Å; Y547-V551 HydrophobicContact CD2-CG2 4.24Å; Y547-V551 HydrophobicContact CE1-CG2 4.12Å; Y547-V551 HydrophobicContact CE2-CG2 3.77Å; Y547-V551 WeakPolarHBondContact O-CG2 3.44Å; Y547-V551 PolarHBondContact O-N 2.75Å; A548-V551 PolarHBondContact O-N 2.89Å; A548-V551 VanDerWaalsContact O-N 3.1Å; D549-V551 VanDerWaalsContact C-N 3.31Å; D549-V551 PolarHBondContact O-N 3.05Å; V551-L554 WeakPolarHBondContact O-CB 3.48Å; V551-L554 WeakPolarHBondContact O-CG 3.32Å
552K83.4Confident84Confident56 Ų5648.4 Ų48.424%0.24320%0.204CC..Hα-helixtrans-77.7-25.2175.9177168.3169.2158.20113.5V233 H283 F284 D285 A548 D549 R550 L554V233-K552 HydrophobicContact CB-CB 4.01Å; V233-K552 HydrophobicContact CG2-CB 3.88Å; H283-K552 WeakPolarHBondContact O-CD 3.48Å; H283-K552 VanDerWaalsContact O-CE 3.3Å; H283-K552 WeakPolarHBondContact O-CE 3.27Å; H283-K552 PolarHBondContact O-NZ 3.46Å; F284-K552 HydrophobicContact CD1-CD 4.5Å; F284-K552 PolarHBondContact O-NZ 3.41Å; D285-K552 WeakPolarHBondContact OD1-CD 3.15Å; D285-K552 WeakPolarHBondContact OD1-CE 3.48Å; D285-K552 IonicContact OD1-NZ 2.57Å; D285-K552 PolarHBondContact OD1-NZ 2.73Å; A548-K552 PolarHBondContact O-N 3.08Å; D549-K552 WeakPolarHBondContact O-CA 3.42Å; D549-K552 WeakPolarHBondContact O-CB 3.26Å; D549-K552 PolarHBondContact O-N 3.33Å; R550-K552 VanDerWaalsContact C-N 3.31Å; K552-L554 PolarHBondContact O-N 3.39Å
553E73.4Confident83.1Confident109 Ų10952 Ų5251%0.50922%0.22SC..SBendtrans-65.2-20.3173.1-68.7-173.6118.100112.7D549 R550D549-E553 PolarHBondContact O-N 2.94Å; D549-E553 VanDerWaalsContact O-N 3.1Å; R550-E553 WeakPolarHBondContact CD-OE2 3.28Å; R550-E553 IonicContact CZ-OE2 2.69Å; R550-E553 IonicContact NE-OE2 3.61Å; R550-E553 IonicContact NH1-OE1 3.52Å; R550-E553 IonicContact NH1-OE2 2.9Å; R550-E553 PolarHBondContact NH1-OE2 3.21Å
554L67Low82.4Confident10 Ų1052.8 Ų52.85%0.05222%0.219CC..  trans-62.9141.1173.7-57.7-164.5000112.2I231 I494 D498 V551 K552I231-L554 HydrophobicContact CD1-CB 4.47Å; I231-L554 HydrophobicContact CD1-CD1 3.57Å; I494-L554 HydrophobicContact CB-CD1 4.1Å; I494-L554 HydrophobicContact CG1-CD1 4.25Å; I494-L554 HydrophobicContact CG2-CD1 3.53Å; I494-L554 HydrophobicContact CG2-CD2 4.35Å; I494-L554 HydrophobicContact CG2-CG 4.2Å; D498-L554 HydrophobicContact CB-CD2 3.33Å; D498-L554 VanDerWaalsContact OD1-CD2 3.27Å; D498-L554 WeakPolarHBondContact OD1-CD2 2.76Å; V551-L554 WeakPolarHBondContact O-CB 3.48Å; V551-L554 WeakPolarHBondContact O-CG 3.32Å; K552-L554 PolarHBondContact O-N 3.39Å
555R53.2Low81.4Confident200 Ų20057.5 Ų57.576%0.75524%0.239SC*.  trans-130.70172.4-69.6-177.8160.8-150.2-16.1110R230R230-R555 WeakPolarHBondContact CG-OXT 3.5Å; R230-R555 PolarHBondContact NE-OXT 3.05Å; R230-R555 PolarHBondContact NH2-O 2.68Å; R230-R555 PolarHBondContact NH2-OXT 2.95Å

Retrieved 555 of 555 residues in 175.4 ms (Link to these results)

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