A0A087X4E6_POEFO Loading...

Serine/threonine-protein kinase PLK4

AlphaFold DB , UniProt , Accession A0A087X4E6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 882 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
1M28.5Very low74.6Confident241 Ų24185.3 Ų85.3100%1.18746%0.464SS*.  0113.50-67.6-176.5-76.300108.6
2S41.6Very low76.4Confident123 Ų12379 Ų7986%0.8643%0.429SS*.  trans-81.1135.6167.4380000109.4
3V54.3Low77.9Confident110 Ų11083.8 Ų83.867%0.66744%0.443SS*.  trans-78.4124.5168.6-179.30000107.1I5 T34V3-I5 PolarHBondContact O-N 3.07Å; V3-T34 HydrophobicContact CG1-CG2 3.67Å
4S67.3Low79.1Confident66 Ų6682 Ų8246%0.46244%0.437SS..  trans-67.5107.6176.948.70000109.8G6S4-G6 PolarHBondContact O-N 2.99Å
5I82.1Confident80.2Confident26 Ų2681.5 Ų81.513%0.13343%0.433CS..  trans-67.4-26-174.1-102.1165.5000112.1V3 F12 S31 L36 Y76 V88V3-I5 PolarHBondContact O-N 3.07Å; I5-F12 HydrophobicContact CG2-CE1 3.81Å; I5-F12 HydrophobicContact CG2-CZ 3.83Å; I5-S31 WeakPolarHBondContact O-CB 3.26Å; I5-S31 PolarHBondContact O-OG 3.29Å; I5-L36 HydrophobicContact CD1-CD2 3.59Å; I5-L36 HydrophobicContact CG1-CD2 4.18Å; I5-Y76 HydrophobicContact CD1-CD1 4.22Å; I5-Y76 HydrophobicContact CD1-CD2 3.92Å; I5-Y76 HydrophobicContact CD1-CG 3.75Å; I5-V88 HydrophobicContact CG2-CG1 3.86Å
6G84.4Confident81.1Confident0 Ų081.5 Ų81.50%044%0.438CS..  trans151.3138.4175.500000109.5S4 D11 N77S4-G6 PolarHBondContact O-N 2.99Å; G6-D11 VanDerWaalsContact CA-OD2 3.29Å; G6-D11 WeakPolarHBondContact CA-OD2 3.05Å; G6-N77 PolarHBondContact O-ND2 3.4Å
7D88.8Confident81.9Confident84 Ų8481.9 Ų81.945%0.44944%0.439SS..SBendtrans-114.1-0.6-166.4-51.3-61.9000112.5D11 K33 N77D7-D11 PolarHBondContact N-OD2 2.91Å; D7-K33 IonicContact OD2-NZ 3.86Å; D7-N77 PolarHBondContact OD1-ND2 2.93Å
8K92.6Very high82.4Confident106 Ų10681.8 Ų81.846%0.46144%0.438SS..SBendtrans-159.9163.5-177.260.1-179.1-165.7158.10109.5E10 D11 F12 F79K8-E10 VanDerWaalsContact C-N 3.3Å; K8-E10 WeakPolarHBondContact CB-OE2 3.42Å; K8-E10 WeakPolarHBondContact CD-OE2 3.15Å; K8-E10 WeakPolarHBondContact CG-OE2 3.49Å; K8-E10 IonicContact NZ-OE2 2.69Å; K8-E10 PolarHBondContact O-N 2.95Å; K8-D11 WeakPolarHBondContact CE-OD1 3.21Å; K8-D11 WeakPolarHBondContact O-CB 3.38Å; K8-D11 PolarHBondContact O-N 3.12Å; K8-F12 WeakPolarHBondContact O-CD2 3.22Å; K8-F12 WeakPolarHBondContact O-CE2 3.16Å; K8-F79 VanDerWaalsContact C-CE2 3.47Å
9I93.3Very high82.7Confident34 Ų3478.9 Ų78.917%0.17443%0.43CS..G310 helixtrans-67.2-28.4-171.5-168.655.7000113.4D11 F12 V14 I40 F79 Y86I9-D11 PolarHBondContact O-N 3.42Å; I9-F12 PolarHBondContact O-N 3.5Å; I9-F12 VanDerWaalsContact O-N 3.1Å; I9-V14 HydrophobicContact CD1-CG2 3.87Å; I9-V14 HydrophobicContact CG1-CG2 4.48Å; I9-I40 HydrophobicContact CD1-CD1 4.1Å; I9-F79 HydrophobicContact CB-CE2 4.06Å; I9-F79 HydrophobicContact CB-CZ 4.36Å; I9-F79 VanDerWaalsContact N-CE2 3.28Å; I9-Y86 HydrophobicContact CB-CD1 4.47Å; I9-Y86 HydrophobicContact CB-CE1 3.92Å; I9-Y86 HydrophobicContact CD1-CD1 3.81Å; I9-Y86 HydrophobicContact CD1-CE1 3.62Å; I9-Y86 HydrophobicContact CG1-CD1 4.32Å; I9-Y86 HydrophobicContact CG1-CE1 3.68Å
10E93.4Very high82.9Confident127 Ų12782.9 Ų82.959%0.59344%0.442SS*.G310 helixtrans-71.9-14.3179.6-49.477.3-16800113.3K8 F12K8-E10 VanDerWaalsContact C-N 3.3Å; K8-E10 WeakPolarHBondContact CB-OE2 3.42Å; K8-E10 WeakPolarHBondContact CD-OE2 3.15Å; K8-E10 WeakPolarHBondContact CG-OE2 3.49Å; K8-E10 IonicContact NZ-OE2 2.69Å; K8-E10 PolarHBondContact O-N 2.95Å; E10-F12 PolarHBondContact O-N 2.74Å
11D94Very high82.7Confident21 Ų2181.1 Ų81.111%0.11244%0.444CS..G310 helixtrans-73-5.2171.1-70.3-20.2000112.3G6 D7 K8 I9 V32 K33G6-D11 VanDerWaalsContact CA-OD2 3.29Å; G6-D11 WeakPolarHBondContact CA-OD2 3.05Å; D7-D11 PolarHBondContact N-OD2 2.91Å; K8-D11 WeakPolarHBondContact CE-OD1 3.21Å; K8-D11 WeakPolarHBondContact O-CB 3.38Å; K8-D11 PolarHBondContact O-N 3.12Å; I9-D11 PolarHBondContact O-N 3.42Å; D11-V32 WeakPolarHBondContact O-CB 3.47Å; D11-V32 WeakPolarHBondContact O-CG2 3.49Å; D11-V32 PolarHBondContact O-N 2.85Å; D11-K33 VanDerWaalsContact CG-NZ 3.26Å; D11-K33 WeakPolarHBondContact OD1-CE 3.35Å; D11-K33 IonicContact OD1-NZ 2.65Å; D11-K33 PolarHBondContact OD1-NZ 3.31Å; D11-K33 WeakPolarHBondContact OD2-CE 3.39Å; D11-K33 IonicContact OD2-NZ 2.72Å; D11-K33 PolarHBondContact OD2-NZ 3.28Å
12F96.3Very high84.9Confident10 Ų1075.2 Ų75.24%0.04443%0.427CS..EExtended strand (participates in β ladder)trans-125.2128.9-175.5-58.4-90.3000112.4I5 K8 I9 E10 V14 A29 V38 I40 F79 V88I5-F12 HydrophobicContact CG2-CE1 3.81Å; I5-F12 HydrophobicContact CG2-CZ 3.83Å; K8-F12 WeakPolarHBondContact O-CD2 3.22Å; K8-F12 WeakPolarHBondContact O-CE2 3.16Å; I9-F12 PolarHBondContact O-N 3.5Å; I9-F12 VanDerWaalsContact O-N 3.1Å; E10-F12 PolarHBondContact O-N 2.74Å; F12-V14 PolarHBondContact O-N 3.08Å; F12-V14 VanDerWaalsContact O-N 3.14Å; F12-A29 HydrophobicContact CB-CB 4.33Å; F12-V38 HydrophobicContact CD1-CG2 3.9Å; F12-V38 HydrophobicContact CE1-CG2 4.02Å; F12-I40 HydrophobicContact CB-CD1 3.79Å; F12-I40 HydrophobicContact CD1-CD1 3.94Å; F12-I40 HydrophobicContact CD2-CD1 4.13Å; F12-I40 HydrophobicContact CG-CD1 3.69Å; F12-F79 HydrophobicContact CD2-CE1 4.46Å; F12-F79 HydrophobicContact CD2-CZ 4.32Å; F12-F79 AromaticContact CE2-CE1 3.72Å; F12-F79 HydrophobicContact CE2-CE1 3.72Å; F12-F79 HydrophobicContact CE2-CZ 4.02Å; F12-F79 HydrophobicContact CZ-CE1 4.46Å; F12-V88 HydrophobicContact CE1-CG1 3.84Å; F12-V88 HydrophobicContact CE1-CG2 4.45Å; F12-V88 HydrophobicContact CE2-CG2 4.23Å; F12-V88 HydrophobicContact CZ-CG1 3.94Å; F12-V88 HydrophobicContact CZ-CG2 3.84Å
13K96.4Very high87Confident142 Ų14271 Ų7162%0.61739%0.393SS*.EExtended strand (participates in β ladder)trans-77.298.1163.8-173.5174.5-177.7172.30108.5L15 A29 K30 V32K13-L15 HydrophobicContact CD-CD2 4.21Å; K13-L15 HydrophobicContact CG-CD2 3.97Å; K13-A29 CarbonylContact O-C 3.46Å; K13-A29 VanDerWaalsContact O-CA 3.27Å; K13-A29 WeakPolarHBondContact O-CA 3.49Å; K13-K30 PolarHBondContact N-O 2.63Å; K13-K30 PolarHBondContact O-N 2.77Å; K13-V32 HydrophobicContact CB-CG2 4.43Å
14V95.1Very high88.7Confident58 Ų5866.3 Ų66.335%0.35237%0.366SS..EExtended strand (participates in β ladder)trans-65.8138.3171.9-174.80000109.7I9 F12 Y27I9-V14 HydrophobicContact CD1-CG2 3.87Å; I9-V14 HydrophobicContact CG1-CG2 4.48Å; F12-V14 PolarHBondContact O-N 3.08Å; F12-V14 VanDerWaalsContact O-N 3.14Å; V14-Y27 HydrophobicContact CG1-CD1 3.97Å; V14-Y27 HydrophobicContact CG1-CG 3.94Å
15L94.4Very high89.9Confident74 Ų7464.4 Ų64.439%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-122.8-125.6-175.6-55.6174.5000110K13 R28K13-L15 HydrophobicContact CD-CD2 4.21Å; K13-L15 HydrophobicContact CG-CD2 3.97Å; L15-R28 WeakPolarHBondContact CA-O 3.23Å; L15-R28 HydrophobicContact CB-CB 4.41Å; L15-R28 WeakPolarHBondContact CB-O 3.31Å; L15-R28 HydrophobicContact CD1-CG 4.32Å; L15-R28 PolarHBondContact N-O 2.73Å
16T94.8Very high90.5Very high82 Ų8265.1 Ų65.150%0.50336%0.358SS..EExtended strand (participates in β ladder)trans-78.6138.8-175.151.90000112.6L18 R28T16-L18 PolarHBondContact O-N 3.43Å; T16-R28 PolarHBondContact O-N 2.76Å
17L94.9Very high91.1Very high89 Ų8968.2 Ų68.247%0.46637%0.37SS..EExtended strand (participates in β ladder)trans-59.8128.4163.4-175.574.7000109.5G19 C25 Y27L17-G19 WeakPolarHBondContact CD1-O 3.16Å; L17-C25 HydrophobicContact CD1-CB 3.88Å; L17-Y27 HydrophobicContact CB-CD1 4.06Å; L17-Y27 HydrophobicContact CB-CE1 3.97Å; L17-Y27 HydrophobicContact CD1-CD1 3.97Å; L17-Y27 HydrophobicContact CD1-CD2 4.38Å; L17-Y27 HydrophobicContact CD1-CE1 3.61Å; L17-Y27 HydrophobicContact CD1-CE2 4.06Å; L17-Y27 HydrophobicContact CD1-CG 4.34Å; L17-Y27 HydrophobicContact CG-CE1 4.4Å
18L91.1Very high91.5Very high80 Ų8068.1 Ų68.142%0.41936%0.363SS..EExtended strand (participates in β ladder)trans-96.8-40.1176.6-65173.3000111.7T16 V26 R28 A39 M91T16-L18 PolarHBondContact O-N 3.43Å; L18-V26 HydrophobicContact CB-CG1 4.47Å; L18-V26 HydrophobicContact CD1-CG1 4.42Å; L18-V26 PolarHBondContact N-O 2.78Å; L18-R28 HydrophobicContact CD1-CB 4.01Å; L18-R28 HydrophobicContact CD2-CB 4.14Å; L18-R28 HydrophobicContact CG-CB 4.05Å; L18-A39 HydrophobicContact CD1-CB 4.29Å; L18-M91 HydrophobicContact CD1-CE 3.91Å; L18-M91 HydrophobicContact CD1-SD 3.99Å; L18-M91 HydrophobicContact CD2-CE 4.23Å
19G87.9Confident91.7Very high27 Ų2763 Ų6328%0.27834%0.341SS..EExtended strand (participates in β ladder)trans-161.6159.9-178.300000112.9L17 V26L17-G19 WeakPolarHBondContact CD1-O 3.16Å; G19-V26 PolarHBondContact N-O 2.84Å; G19-V26 PolarHBondContact O-N 3.11Å
20K87.4Confident91.8Very high157 Ų15766 Ų6668%0.68335%0.353SS*.EExtended strand (participates in β ladder)trans-137.1115.8-179.8178.2169.4-178.4178.70110.6
21G78.3Confident91.9Very high47 Ų4760 Ų6049%0.48533%0.325SS..  trans-91-167170.500000112.4A24G21-A24 PolarHBondContact N-O 3.04Å
22S75.1Confident91.9Very high116 Ų11664 Ų6481%0.81135%0.35SS*.SBendtrans-71-40.1-176.849.60000114.1
23F84.6Confident91.6Very high34 Ų3468.7 Ų68.715%0.14937%0.37CS..SBendtrans-126.89179.157.4-101.1000113.3I43 D44 A47 M53 V57F23-I43 HydrophobicContact CD2-CG2 4.01Å; F23-I43 HydrophobicContact CE2-CG2 4.34Å; F23-D44 PolarHBondContact O-N 3.22Å; F23-A47 HydrophobicContact CB-CB 3.92Å; F23-M53 HydrophobicContact CD1-CB 4.49Å; F23-M53 HydrophobicContact CD1-CG 4.17Å; F23-M53 HydrophobicContact CE1-CB 4.07Å; F23-M53 HydrophobicContact CE1-CG 3.74Å; F23-M53 HydrophobicContact CE1-SD 4.48Å; F23-M53 HydrophobicContact CZ-CB 4.26Å; F23-M53 HydrophobicContact CZ-CG 4.36Å; F23-V57 HydrophobicContact CE2-CG2 3.8Å; F23-V57 HydrophobicContact CZ-CG2 4.17Å
24A89.9Confident91.4Very high12 Ų1264.8 Ų64.810%0.09936%0.358CS..EExtended strand (participates in β ladder)trans-140.7148.4-174.200000112.9G21 K41 M42 I43G21-A24 PolarHBondContact N-O 3.04Å; A24-K41 HydrophobicContact CB-CG 4.39Å; A24-M42 CarbonylContact C-O 3.54Å; A24-M42 WeakPolarHBondContact CA-O 3.38Å; A24-M42 WeakPolarHBondContact CB-O 3.29Å; A24-I43 HydrophobicContact CB-CG1 3.88Å
25C93.6Very high91.3Very high27 Ų2763.8 Ų63.818%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-125.1135.2171.8-67.90000109.4L17 Y27 M42L17-C25 HydrophobicContact CD1-CB 3.88Å; C25-Y27 HydrophobicContact CB-CD2 4.31Å; C25-Y27 HydrophobicContact CB-CE2 3.51Å; C25-M42 PolarHBondContact N-O 2.83Å; C25-M42 PolarHBondContact O-N 3.46Å
26V95.1Very high91.3Very high41 Ų4163.5 Ų63.525%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-107.6123.4179.2-172.80000108.9L18 G19 A39 I40 K41L18-V26 HydrophobicContact CB-CG1 4.47Å; L18-V26 HydrophobicContact CD1-CG1 4.42Å; L18-V26 PolarHBondContact N-O 2.78Å; G19-V26 PolarHBondContact N-O 2.84Å; G19-V26 PolarHBondContact O-N 3.11Å; V26-A39 HydrophobicContact CG1-CB 4.15Å; V26-I40 WeakPolarHBondContact CA-O 3.35Å; V26-K41 HydrophobicContact CG2-CB 4.1Å; V26-K41 HydrophobicContact CG2-CG 4.15Å
27Y96.3Very high91.4Very high65 Ų6561.9 Ų61.926%0.25535%0.345SS..EExtended strand (participates in β ladder)trans-116.1143179.7-63.1-94.3000111.1V14 L17 C25 A39 I40 M42V14-Y27 HydrophobicContact CG1-CD1 3.97Å; V14-Y27 HydrophobicContact CG1-CG 3.94Å; L17-Y27 HydrophobicContact CB-CD1 4.06Å; L17-Y27 HydrophobicContact CB-CE1 3.97Å; L17-Y27 HydrophobicContact CD1-CD1 3.97Å; L17-Y27 HydrophobicContact CD1-CD2 4.38Å; L17-Y27 HydrophobicContact CD1-CE1 3.61Å; L17-Y27 HydrophobicContact CD1-CE2 4.06Å; L17-Y27 HydrophobicContact CD1-CG 4.34Å; L17-Y27 HydrophobicContact CG-CE1 4.4Å; C25-Y27 HydrophobicContact CB-CD2 4.31Å; C25-Y27 HydrophobicContact CB-CE2 3.51Å; Y27-A39 CarbonylContact O-C 3.55Å; Y27-A39 WeakPolarHBondContact O-CA 3.35Å; Y27-I40 PolarHBondContact N-O 2.92Å; Y27-I40 PolarHBondContact O-N 2.79Å; Y27-M42 HydrophobicContact CD2-CG 4.22Å; Y27-M42 HydrophobicContact CD2-SD 3.72Å; Y27-M42 HydrophobicContact CE2-CG 4.36Å; Y27-M42 HydrophobicContact CE2-SD 3.61Å
28R96.7Very high91.4Very high81 Ų8157.7 Ų57.731%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-67.5135.8159.5-172.6-177.9-176.4159.34.8107.3L15 T16 L18 E37 M91L15-R28 WeakPolarHBondContact CA-O 3.23Å; L15-R28 HydrophobicContact CB-CB 4.41Å; L15-R28 WeakPolarHBondContact CB-O 3.31Å; L15-R28 HydrophobicContact CD1-CG 4.32Å; L15-R28 PolarHBondContact N-O 2.73Å; T16-R28 PolarHBondContact O-N 2.76Å; L18-R28 HydrophobicContact CD1-CB 4.01Å; L18-R28 HydrophobicContact CD2-CB 4.14Å; L18-R28 HydrophobicContact CG-CB 4.05Å; R28-E37 IonicContact CZ-OE1 3.45Å; R28-E37 IonicContact CZ-OE2 2.64Å; R28-E37 IonicContact NE-OE1 2.84Å; R28-E37 PolarHBondContact NE-OE1 3.38Å; R28-E37 IonicContact NE-OE2 3.96Å; R28-E37 IonicContact NH2-OE1 3.47Å; R28-E37 PolarHBondContact NH2-OE1 2.68Å; R28-E37 IonicContact NH2-OE2 3.47Å; R28-E37 PolarHBondContact NH2-OE2 3.41Å; R28-M91 HydrophobicContact CG-CE 4.25Å; R28-M91 HydrophobicContact CG-SD 4.16Å
29A96.8Very high91.7Very high0 Ų054.3 Ų54.30%031%0.306CS..EExtended strand (participates in β ladder)trans-142.3167.6172.500000110.4F12 K13 E37 V38 I40F12-A29 HydrophobicContact CB-CB 4.33Å; K13-A29 CarbonylContact O-C 3.46Å; K13-A29 VanDerWaalsContact O-CA 3.27Å; K13-A29 WeakPolarHBondContact O-CA 3.49Å; A29-E37 WeakPolarHBondContact O-CA 3.34Å; A29-V38 HydrophobicContact CB-CG2 4.02Å; A29-V38 PolarHBondContact N-O 2.83Å; A29-V38 PolarHBondContact O-N 3.33Å; A29-I40 HydrophobicContact CB-CD1 3.52Å; A29-I40 HydrophobicContact CB-CG1 3.89Å
30K96.4Very high92.1Very high96 Ų9653 Ų5342%0.41729%0.293SS..EExtended strand (participates in β ladder)trans-128.6125.8174.6-164.1174.8-171.7177.70109.2K13 V32 G35 L36K13-K30 PolarHBondContact N-O 2.63Å; K13-K30 PolarHBondContact O-N 2.77Å; K30-V32 PolarHBondContact O-N 3.39Å; K30-G35 WeakPolarHBondContact CE-O 3.42Å; K30-L36 CarbonylContact C-O 3.56Å; K30-L36 WeakPolarHBondContact CA-O 3.44Å
31S95.2Very high92.5Very high2 Ų246.7 Ų46.71%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-60.3128.3173.4173.80000109.4I5 K33 T34 G35 L36I5-S31 WeakPolarHBondContact O-CB 3.26Å; I5-S31 PolarHBondContact O-OG 3.29Å; S31-K33 VanDerWaalsContact C-N 3.29Å; S31-K33 PolarHBondContact OG-N 3.14Å; S31-T34 VanDerWaalsContact CB-OG1 3.3Å; S31-T34 WeakPolarHBondContact CB-OG1 3.46Å; S31-T34 PolarHBondContact OG-N 3.21Å; S31-T34 PolarHBondContact OG-OG1 2.8Å; S31-G35 VanDerWaalsContact O-CA 3.27Å; S31-G35 WeakPolarHBondContact O-CA 3.5Å; S31-G35 PolarHBondContact O-N 2.92Å; S31-L36 PolarHBondContact N-O 2.85Å
32V94.2Very high93.3Very high103 Ų10346 Ų4662%0.62425%0.25SS*.THydrogen-bonded Turntrans-70.1-32.3177.1-179.20000110.3D11 K13 K30D11-V32 WeakPolarHBondContact O-CB 3.47Å; D11-V32 WeakPolarHBondContact O-CG2 3.49Å; D11-V32 PolarHBondContact O-N 2.85Å; K13-V32 HydrophobicContact CB-CG2 4.43Å; K30-V32 PolarHBondContact O-N 3.39Å
33K89.9Confident94.2Very high110 Ų11040.5 Ų40.548%0.47821%0.211SC..THydrogen-bonded Turntrans-73.4-43.3-179.2-69168.8173.2169.80113D7 D11 S31D7-K33 IonicContact OD2-NZ 3.86Å; D11-K33 VanDerWaalsContact CG-NZ 3.26Å; D11-K33 WeakPolarHBondContact OD1-CE 3.35Å; D11-K33 IonicContact OD1-NZ 2.65Å; D11-K33 PolarHBondContact OD1-NZ 3.31Å; D11-K33 WeakPolarHBondContact OD2-CE 3.39Å; D11-K33 IonicContact OD2-NZ 2.72Å; D11-K33 PolarHBondContact OD2-NZ 3.28Å; S31-K33 VanDerWaalsContact C-N 3.29Å; S31-K33 PolarHBondContact OG-N 3.14Å
34T92.2Very high94.6Very high60 Ų6041.1 Ų41.137%0.36822%0.217SC..THydrogen-bonded Turntrans-112.1-14.2-171.366.80000114.5V3 S31 L36V3-T34 HydrophobicContact CG1-CG2 3.67Å; S31-T34 VanDerWaalsContact CB-OG1 3.3Å; S31-T34 WeakPolarHBondContact CB-OG1 3.46Å; S31-T34 PolarHBondContact OG-N 3.21Å; S31-T34 PolarHBondContact OG-OG1 2.8Å; T34-L36 PolarHBondContact O-N 3.1Å; T34-L36 WeakPolarHBondContact OG1-CB 3.34Å; T34-L36 PolarHBondContact OG1-N 3.28Å
35G92.6Very high94.7Very high36 Ų3642.3 Ų42.337%0.37122%0.219SC..  trans69.45.2-170.800000114.6K30 S31K30-G35 WeakPolarHBondContact CE-O 3.42Å; S31-G35 VanDerWaalsContact O-CA 3.27Å; S31-G35 WeakPolarHBondContact O-CA 3.5Å; S31-G35 PolarHBondContact O-N 2.92Å
36L94.2Very high94.6Very high69 Ų6947.7 Ų47.736%0.36124%0.24SC..  trans-69.6136.4177.4-176.364.6000111I5 K30 S31 T34 V38 Y76I5-L36 HydrophobicContact CD1-CD2 3.59Å; I5-L36 HydrophobicContact CG1-CD2 4.18Å; K30-L36 CarbonylContact C-O 3.56Å; K30-L36 WeakPolarHBondContact CA-O 3.44Å; S31-L36 PolarHBondContact N-O 2.85Å; T34-L36 PolarHBondContact O-N 3.1Å; T34-L36 WeakPolarHBondContact OG1-CB 3.34Å; T34-L36 PolarHBondContact OG1-N 3.28Å; L36-V38 HydrophobicContact CD2-CG1 4.26Å; L36-V38 HydrophobicContact CG-CG1 4.25Å; L36-Y76 HydrophobicContact CD2-CE2 4.02Å
37E95.9Very high94.3Very high48 Ų4847.4 Ų47.422%0.22424%0.241CC..EExtended strand (participates in β ladder)trans-80.9135.7168.6-63.7-153114.400111.4R28 A29 M91 H93R28-E37 IonicContact CZ-OE1 3.45Å; R28-E37 IonicContact CZ-OE2 2.64Å; R28-E37 IonicContact NE-OE1 2.84Å; R28-E37 PolarHBondContact NE-OE1 3.38Å; R28-E37 IonicContact NE-OE2 3.96Å; R28-E37 IonicContact NH2-OE1 3.47Å; R28-E37 PolarHBondContact NH2-OE1 2.68Å; R28-E37 IonicContact NH2-OE2 3.47Å; R28-E37 PolarHBondContact NH2-OE2 3.41Å; A29-E37 WeakPolarHBondContact O-CA 3.34Å; E37-M91 HydrophobicContact CB-CB 4.34Å; E37-M91 HydrophobicContact CB-CG 4.36Å; E37-H93 IonicContact OE2-CD2 2.69Å; E37-H93 IonicContact OE2-NE2 3.51Å; E37-H93 PolarHBondContact OE2-NE2 2.91Å
38V96.6Very high93.9Very high0 Ų044.8 Ų44.80%023%0.232CC..EExtended strand (participates in β ladder)trans-138.7159.2-176.6-61.10000110.3F12 A29 L36 I40 Y76 V88 L89F12-V38 HydrophobicContact CD1-CG2 3.9Å; F12-V38 HydrophobicContact CE1-CG2 4.02Å; A29-V38 HydrophobicContact CB-CG2 4.02Å; A29-V38 PolarHBondContact N-O 2.83Å; A29-V38 PolarHBondContact O-N 3.33Å; L36-V38 HydrophobicContact CD2-CG1 4.26Å; L36-V38 HydrophobicContact CG-CG1 4.25Å; V38-I40 HydrophobicContact CG2-CD1 4.39Å; V38-I40 HydrophobicContact CG2-CG1 4.03Å; V38-Y76 HydrophobicContact CG1-CD2 3.9Å; V38-Y76 HydrophobicContact CG1-CE2 3.97Å; V38-V88 HydrophobicContact CB-CG1 3.95Å; V38-V88 HydrophobicContact CG1-CG1 4.02Å; V38-V88 HydrophobicContact CG2-CG1 3.99Å; V38-L89 WeakPolarHBondContact CA-O 3.43Å; V38-L89 WeakPolarHBondContact CB-O 3.44Å
39A97.4Very high93.4Very high9 Ų947 Ų477%0.07425%0.245CC..EExtended strand (participates in β ladder)trans-101.5125.2165.500000109.3L18 V26 Y27 L89 M91L18-A39 HydrophobicContact CD1-CB 4.29Å; V26-A39 HydrophobicContact CG1-CB 4.15Å; Y27-A39 CarbonylContact O-C 3.55Å; Y27-A39 WeakPolarHBondContact O-CA 3.35Å; A39-L89 HydrophobicContact CB-CB 4.29Å; A39-L89 PolarHBondContact N-O 3.34Å; A39-L89 WeakPolarHBondContact O-CA 3.46Å; A39-L89 WeakPolarHBondContact O-CB 3.37Å; A39-L89 PolarHBondContact O-N 3.16Å; A39-M91 HydrophobicContact CB-SD 4.31Å
40I96.6Very high92.7Very high1 Ų156.4 Ų56.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-105.2110.8177.3-57.8-177.8000108.8I9 F12 V26 Y27 A29 V38 M42 Y86 L87I9-I40 HydrophobicContact CD1-CD1 4.1Å; F12-I40 HydrophobicContact CB-CD1 3.79Å; F12-I40 HydrophobicContact CD1-CD1 3.94Å; F12-I40 HydrophobicContact CD2-CD1 4.13Å; F12-I40 HydrophobicContact CG-CD1 3.69Å; V26-I40 WeakPolarHBondContact CA-O 3.35Å; Y27-I40 PolarHBondContact N-O 2.92Å; Y27-I40 PolarHBondContact O-N 2.79Å; A29-I40 HydrophobicContact CB-CD1 3.52Å; A29-I40 HydrophobicContact CB-CG1 3.89Å; V38-I40 HydrophobicContact CG2-CD1 4.39Å; V38-I40 HydrophobicContact CG2-CG1 4.03Å; I40-M42 HydrophobicContact CG2-CG 3.99Å; I40-M42 PolarHBondContact O-N 2.77Å; I40-Y86 HydrophobicContact CG2-CD1 3.95Å; I40-L87 WeakPolarHBondContact CA-O 3.44Å
41K95Very high91.7Very high24 Ų2454.4 Ų54.410%0.10429%0.287CS..EExtended strand (participates in β ladder)trans-85.7100.7171.1177.1173.7171.2-176.20108A24 V26 I43 E60 L87 L89A24-K41 HydrophobicContact CB-CG 4.39Å; V26-K41 HydrophobicContact CG2-CB 4.1Å; V26-K41 HydrophobicContact CG2-CG 4.15Å; K41-I43 HydrophobicContact CG-CG1 4.3Å; K41-E60 VanDerWaalsContact NZ-CD 3.35Å; K41-E60 IonicContact NZ-OE1 3.69Å; K41-E60 PolarHBondContact NZ-OE1 2.91Å; K41-E60 IonicContact NZ-OE2 3.41Å; K41-E60 PolarHBondContact NZ-OE2 3.25Å; K41-L87 HydrophobicContact CB-CB 4.26Å; K41-L87 HydrophobicContact CD-CD1 4.3Å; K41-L87 PolarHBondContact N-O 2.82Å; K41-L87 PolarHBondContact O-N 3.37Å; K41-L89 HydrophobicContact CB-CD1 3.92Å
42M95Very high91Very high32 Ų3257 Ų5716%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-86.1122.6174.4-64.6179.658.200109.6A24 C25 Y27 I40 Y84 Y86A24-M42 CarbonylContact C-O 3.54Å; A24-M42 WeakPolarHBondContact CA-O 3.38Å; A24-M42 WeakPolarHBondContact CB-O 3.29Å; C25-M42 PolarHBondContact N-O 2.83Å; C25-M42 PolarHBondContact O-N 3.46Å; Y27-M42 HydrophobicContact CD2-CG 4.22Å; Y27-M42 HydrophobicContact CD2-SD 3.72Å; Y27-M42 HydrophobicContact CE2-CG 4.36Å; Y27-M42 HydrophobicContact CE2-SD 3.61Å; I40-M42 HydrophobicContact CG2-CG 3.99Å; I40-M42 PolarHBondContact O-N 2.77Å; M42-Y84 HydrophobicContact CE-CD1 4.3Å; M42-Y84 HydrophobicContact CE-CD2 4.28Å; M42-Y84 HydrophobicContact CE-CE2 4.49Å; M42-Y84 HydrophobicContact CE-CG 4.2Å; M42-Y86 HydrophobicContact CE-CE1 3.68Å; M42-Y86 HydrophobicContact CG-CD1 3.69Å; M42-Y86 HydrophobicContact CG-CE1 3.75Å; M42-Y86 HydrophobicContact SD-CD1 4.45Å; M42-Y86 HydrophobicContact SD-CE1 3.99Å
43I93.3Very high90.4Very high0 Ų055 Ų550%030%0.299CS..EExtended strand (participates in β ladder)trans-111.9120-178.9-69.5166.8000108.4F23 A24 K41 K45 M48 V57 Y84 V85 L87F23-I43 HydrophobicContact CD2-CG2 4.01Å; F23-I43 HydrophobicContact CE2-CG2 4.34Å; A24-I43 HydrophobicContact CB-CG1 3.88Å; K41-I43 HydrophobicContact CG-CG1 4.3Å; I43-K45 PolarHBondContact O-N 2.8Å; I43-M48 HydrophobicContact CG2-CB 4.27Å; I43-M48 HydrophobicContact CG2-SD 3.9Å; I43-V57 HydrophobicContact CD1-CG1 3.72Å; I43-V57 HydrophobicContact CD1-CG2 4.37Å; I43-Y84 CarbonylContact O-C 3.57Å; I43-Y84 VanDerWaalsContact O-CA 3.23Å; I43-Y84 WeakPolarHBondContact O-CA 3.44Å; I43-V85 HydrophobicContact CB-CB 4.23Å; I43-V85 PolarHBondContact N-O 2.85Å; I43-V85 PolarHBondContact O-N 2.76Å; I43-L87 HydrophobicContact CD1-CD1 4.19Å; I43-L87 HydrophobicContact CD1-CG 4.39Å
44D93.6Very high90.2Very high48 Ų4851.8 Ų51.826%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-74.8118.8177.7179.4-45.1000110F23 K46 A47 M48 Y84F23-D44 PolarHBondContact O-N 3.22Å; D44-K46 PolarHBondContact O-N 2.81Å; D44-K46 WeakPolarHBondContact OD1-CA 3.46Å; D44-K46 WeakPolarHBondContact OD1-CB 3.41Å; D44-K46 PolarHBondContact OD1-N 3.2Å; D44-A47 HydrophobicContact CB-CB 3.89Å; D44-A47 PolarHBondContact O-N 2.83Å; D44-A47 PolarHBondContact OD1-N 2.85Å; D44-M48 WeakPolarHBondContact O-CB 3.27Å; D44-M48 PolarHBondContact O-N 2.93Å; D44-Y84 HydrophobicContact CB-CD1 4.16Å; D44-Y84 HydrophobicContact CB-CE1 3.88Å
45K92.8Very high89.6Confident37 Ų3755.8 Ų55.816%0.16130%0.303CS..Hα-helixtrans-63.1-39.8-178.4-71.3-179.1167.1-174.20112I43 M48 H49 E80 D81 N83 V85I43-K45 PolarHBondContact O-N 2.8Å; K45-M48 HydrophobicContact CG-CE 4.41Å; K45-M48 PolarHBondContact O-N 3.26Å; K45-H49 WeakPolarHBondContact O-CB 3.43Å; K45-H49 PolarHBondContact O-CD2 2.95Å; K45-H49 PolarHBondContact O-N 2.85Å; K45-E80 WeakPolarHBondContact CE-OE2 3.38Å; K45-E80 IonicContact NZ-OE1 2.68Å; K45-E80 PolarHBondContact NZ-OE1 3.08Å; K45-E80 IonicContact NZ-OE2 2.72Å; K45-E80 PolarHBondContact NZ-OE2 2.83Å; K45-D81 WeakPolarHBondContact CE-O 3.45Å; K45-D81 PolarHBondContact NZ-O 3.18Å; K45-N83 VanDerWaalsContact CB-O 3.31Å; K45-N83 WeakPolarHBondContact CB-O 3.38Å; K45-N83 WeakPolarHBondContact CG-O 3.32Å; K45-N83 PolarHBondContact N-O 3.41Å; K45-V85 HydrophobicContact CD-CG2 4.43Å; K45-V85 HydrophobicContact CG-CG2 4.04Å
46K91.6Very high89Confident140 Ų14058 Ų5861%0.60930%0.301SS*.Hα-helixtrans-69-41.6-178.8-67.1161.5177.8160.40110.6D44 K50 N83D44-K46 PolarHBondContact O-N 2.81Å; D44-K46 WeakPolarHBondContact OD1-CA 3.46Å; D44-K46 WeakPolarHBondContact OD1-CB 3.41Å; D44-K46 PolarHBondContact OD1-N 3.2Å; K46-K50 VanDerWaalsContact O-CB 3.3Å; K46-K50 WeakPolarHBondContact O-CB 3.27Å; K46-K50 PolarHBondContact O-N 2.92Å; K46-N83 PolarHBondContact NZ-OD1 2.6Å
47A88.2Confident88.6Confident34 Ų3455 Ų5528%0.28129%0.285SS..Hα-helixtrans-65.2-45.4172.600000112F23 D44 H49 K50 A51F23-A47 HydrophobicContact CB-CB 3.92Å; D44-A47 HydrophobicContact CB-CB 3.89Å; D44-A47 PolarHBondContact O-N 2.83Å; D44-A47 PolarHBondContact OD1-N 2.85Å; A47-H49 PolarHBondContact O-N 3Å; A47-K50 PolarHBondContact O-N 3.39Å; A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 3.29Å
48M88.3Confident88.1Confident11 Ų1156.2 Ų56.25%0.05430%0.296CS..Hα-helixtrans-59.2-45.5177.2178.7-176.970.500112.2I43 D44 K45 A51 G52 M53 V54 V57I43-M48 HydrophobicContact CG2-CB 4.27Å; I43-M48 HydrophobicContact CG2-SD 3.9Å; D44-M48 WeakPolarHBondContact O-CB 3.27Å; D44-M48 PolarHBondContact O-N 2.93Å; K45-M48 HydrophobicContact CG-CE 4.41Å; K45-M48 PolarHBondContact O-N 3.26Å; M48-A51 PolarHBondContact O-N 3Å; M48-G52 PolarHBondContact O-N 3.02Å; M48-M53 HydrophobicContact CG-CB 4.14Å; M48-M53 PolarHBondContact O-N 3.28Å; M48-V54 HydrophobicContact CE-CB 4.48Å; M48-V54 HydrophobicContact CE-CG1 4.23Å; M48-V54 HydrophobicContact CE-CG2 4.24Å; M48-V54 HydrophobicContact CG-CG2 4.24Å; M48-V57 HydrophobicContact CG-CG2 4.2Å; M48-V57 HydrophobicContact SD-CB 3.66Å; M48-V57 HydrophobicContact SD-CG1 3.9Å; M48-V57 HydrophobicContact SD-CG2 3.68Å
49H85.9Confident87.5Confident126 Ų12658.5 Ų58.558%0.58331%0.308SS*.Hα-helixtrans-63.3-47.8174.1-88-83.8000111.7K45 A47 A51 G52 V54K45-H49 WeakPolarHBondContact O-CB 3.43Å; K45-H49 PolarHBondContact O-CD2 2.95Å; K45-H49 PolarHBondContact O-N 2.85Å; A47-H49 PolarHBondContact O-N 3Å; H49-A51 PolarHBondContact O-N 2.84Å; H49-G52 PolarHBondContact O-N 3.49Å; H49-V54 HydrophobicContact CB-CG2 4.48Å
50K82.6Confident87Confident198 Ų19858.3 Ų58.386%0.86131%0.306SS*.Hα-helixtrans-61.2-31.1178.5-174.3177.8178.7-177.70113K46 A47K46-K50 VanDerWaalsContact O-CB 3.3Å; K46-K50 WeakPolarHBondContact O-CB 3.27Å; K46-K50 PolarHBondContact O-N 2.92Å; A47-K50 PolarHBondContact O-N 3.39Å
51A75.7Confident86.6Confident54 Ų5459 Ų5945%0.44631%0.31SS..THydrogen-bonded Turntrans-86.3-2.4176.100000114.1A47 M48 H49 M53A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 3.29Å; M48-A51 PolarHBondContact O-N 3Å; H49-A51 PolarHBondContact O-N 2.84Å; A51-M53 HydrophobicContact CB-CB 4.44Å; A51-M53 HydrophobicContact CB-CG 3.78Å; A51-M53 WeakPolarHBondContact O-CE 3.42Å; A51-M53 PolarHBondContact O-N 2.87Å
52G80.6Confident86.3Confident57 Ų5762.1 Ų62.159%0.58833%0.325SS*.THydrogen-bonded Turntrans67.315.4-175.100000114.6M48 H49 V54M48-G52 PolarHBondContact O-N 3.02Å; H49-G52 PolarHBondContact O-N 3.49Å; G52-V54 PolarHBondContact O-N 3.34Å
53M81.1Confident86.1Confident60 Ų6060.9 Ų60.930%0.29632%0.319SS..  trans-87.11.8-169.6-68.5-65.7101.900114.5F23 M48 A51 Q55 R56 V57F23-M53 HydrophobicContact CD1-CB 4.49Å; F23-M53 HydrophobicContact CD1-CG 4.17Å; F23-M53 HydrophobicContact CE1-CB 4.07Å; F23-M53 HydrophobicContact CE1-CG 3.74Å; F23-M53 HydrophobicContact CE1-SD 4.48Å; F23-M53 HydrophobicContact CZ-CB 4.26Å; F23-M53 HydrophobicContact CZ-CG 4.36Å; M48-M53 HydrophobicContact CG-CB 4.14Å; M48-M53 PolarHBondContact O-N 3.28Å; A51-M53 HydrophobicContact CB-CB 4.44Å; A51-M53 HydrophobicContact CB-CG 3.78Å; A51-M53 WeakPolarHBondContact O-CE 3.42Å; A51-M53 PolarHBondContact O-N 2.87Å; M53-Q55 PolarHBondContact O-N 2.85Å; M53-R56 WeakPolarHBondContact O-CB 3.34Å; M53-R56 PolarHBondContact O-N 3.49Å; M53-R56 VanDerWaalsContact O-N 3.08Å; M53-R56 HydrophobicContact SD-CB 4.43Å; M53-R56 VanDerWaalsContact SD-CD 3.54Å; M53-V57 PolarHBondContact O-N 3.06Å
54V84.9Confident86Confident44 Ų4461.1 Ų61.127%0.26732%0.32SS..Hα-helixtrans-51-57.4-175.9-171.50000111.8M48 H49 G52 R56 V57 T58M48-V54 HydrophobicContact CE-CB 4.48Å; M48-V54 HydrophobicContact CE-CG1 4.23Å; M48-V54 HydrophobicContact CE-CG2 4.24Å; M48-V54 HydrophobicContact CG-CG2 4.24Å; H49-V54 HydrophobicContact CB-CG2 4.48Å; G52-V54 PolarHBondContact O-N 3.34Å; V54-R56 PolarHBondContact O-N 2.83Å; V54-V57 PolarHBondContact O-N 3.27Å; V54-V57 VanDerWaalsContact O-N 3.15Å; V54-T58 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-OG1 3.46Å; V54-T58 VanDerWaalsContact O-OG1 3.08Å
55Q80.1Confident85.9Confident144 Ų14462.1 Ų62.167%0.67333%0.33SS*.Hα-helixtrans-62-30.1-178.2-171.562.352.100113.1M53 N59M53-Q55 PolarHBondContact O-N 2.85Å; Q55-N59 VanDerWaalsContact O-CB 3.28Å; Q55-N59 WeakPolarHBondContact O-CB 2.82Å; Q55-N59 PolarHBondContact O-N 3.42Å
56R80.4Confident85.7Confident82 Ų8266.5 Ų66.531%0.30935%0.345SS..Hα-helixtrans-69-46.5176.5-179-168.6168.7103.6-2.7110.6M53 V54 N59 E60 G156M53-R56 WeakPolarHBondContact O-CB 3.34Å; M53-R56 PolarHBondContact O-N 3.49Å; M53-R56 VanDerWaalsContact O-N 3.08Å; M53-R56 HydrophobicContact SD-CB 4.43Å; M53-R56 VanDerWaalsContact SD-CD 3.54Å; V54-R56 PolarHBondContact O-N 2.83Å; R56-N59 PolarHBondContact O-N 3.44Å; R56-E60 WeakPolarHBondContact O-CB 3.37Å; R56-E60 PolarHBondContact O-N 3.2Å; R56-G156 WeakPolarHBondContact CG-O 3.26Å; R56-G156 PolarHBondContact NE-O 2.88Å; R56-G156 VanDerWaalsContact NE-O 3.09Å; R56-G156 PolarHBondContact NH1-O 3.09Å; R56-G156 VanDerWaalsContact NH2-C 3.34Å; R56-G156 PolarHBondContact NH2-O 3Å
57V84.5Confident85.8Confident6 Ų660.3 Ų60.34%0.03632%0.319CS..Hα-helixtrans-67.3-39.9177.4174.20000111.2F23 I43 M48 M53 V54 N59 E60 V61F23-V57 HydrophobicContact CE2-CG2 3.8Å; F23-V57 HydrophobicContact CZ-CG2 4.17Å; I43-V57 HydrophobicContact CD1-CG1 3.72Å; I43-V57 HydrophobicContact CD1-CG2 4.37Å; M48-V57 HydrophobicContact CG-CG2 4.2Å; M48-V57 HydrophobicContact SD-CB 3.66Å; M48-V57 HydrophobicContact SD-CG1 3.9Å; M48-V57 HydrophobicContact SD-CG2 3.68Å; M53-V57 PolarHBondContact O-N 3.06Å; V54-V57 PolarHBondContact O-N 3.27Å; V54-V57 VanDerWaalsContact O-N 3.15Å; V57-N59 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.41Å; V57-E60 WeakPolarHBondContact O-CB 3.25Å; V57-E60 PolarHBondContact O-N 2.9Å; V57-V61 WeakPolarHBondContact O-CG2 3.36Å; V57-V61 PolarHBondContact O-N 2.85Å
58T85.6Confident86.1Confident73 Ų7365.1 Ų65.145%0.44833%0.334SS..Hα-helixtrans-59.2-44172.9-52.80000111.7V54 V61 E62V54-T58 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-OG1 3.46Å; V54-T58 VanDerWaalsContact O-OG1 3.08Å; T58-V61 PolarHBondContact O-N 2.85Å; T58-E62 WeakPolarHBondContact O-CB 3.32Å; T58-E62 PolarHBondContact O-N 2.82Å
59N83.9Confident86.5Confident49 Ų4966.7 Ų66.726%0.26234%0.341SS..Hα-helixtrans-67.9-38.2176.3177.796000112.7Q55 R56 V57 E62 I63 A158Q55-N59 VanDerWaalsContact O-CB 3.28Å; Q55-N59 WeakPolarHBondContact O-CB 2.82Å; Q55-N59 PolarHBondContact O-N 3.42Å; R56-N59 PolarHBondContact O-N 3.44Å; V57-N59 VanDerWaalsContact C-N 3.33Å; V57-N59 PolarHBondContact O-N 3.41Å; N59-E62 PolarHBondContact O-N 2.86Å; N59-I63 WeakPolarHBondContact ND2-CD1 3.41Å; N59-I63 WeakPolarHBondContact O-CB 3.41Å; N59-I63 WeakPolarHBondContact O-CG1 3.42Å; N59-I63 PolarHBondContact O-N 2.81Å; N59-A158 PolarHBondContact ND2-O 2.8Å; N59-A158 VanDerWaalsContact ND2-O 3.14Å
60E87.9Confident87Confident5 Ų565.5 Ų65.52%0.02334%0.344CS..Hα-helixtrans-56.1-51.7172.7-173.8-173.9151.800110.2K41 R56 V57 H64 F155K41-E60 VanDerWaalsContact NZ-CD 3.35Å; K41-E60 IonicContact NZ-OE1 3.69Å; K41-E60 PolarHBondContact NZ-OE1 2.91Å; K41-E60 IonicContact NZ-OE2 3.41Å; K41-E60 PolarHBondContact NZ-OE2 3.25Å; R56-E60 WeakPolarHBondContact O-CB 3.37Å; R56-E60 PolarHBondContact O-N 3.2Å; V57-E60 WeakPolarHBondContact O-CB 3.25Å; V57-E60 PolarHBondContact O-N 2.9Å; E60-H64 WeakPolarHBondContact O-CB 3.46Å; E60-H64 PolarHBondContact O-N 2.85Å; E60-F155 HydrophobicContact CG-CB 4.25Å
61V87.9Confident87.7Confident16 Ų1656.5 Ų56.510%0.09731%0.306CS..Hα-helixtrans-65.1-43.8178.4177.60000111.7V57 T58 I63 H64 C65 Y78 L87V57-V61 WeakPolarHBondContact O-CG2 3.36Å; V57-V61 PolarHBondContact O-N 2.85Å; T58-V61 PolarHBondContact O-N 2.85Å; V61-I63 PolarHBondContact O-N 2.77Å; V61-H64 PolarHBondContact O-N 2.82Å; V61-C65 WeakPolarHBondContact O-CB 3.45Å; V61-C65 PolarHBondContact O-N 3.44Å; V61-C65 PolarHBondContact O-SG 3Å; V61-Y78 HydrophobicContact CG1-CD1 3.97Å; V61-Y78 HydrophobicContact CG1-CD2 4.07Å; V61-Y78 HydrophobicContact CG1-CE1 4.16Å; V61-Y78 HydrophobicContact CG1-CE2 4.25Å; V61-Y78 HydrophobicContact CG1-CG 3.94Å; V61-L87 HydrophobicContact CG2-CD1 4.2Å; V61-L87 HydrophobicContact CG2-CD2 3.55Å
62E89.4Confident88.7Confident89 Ų8954 Ų5442%0.41629%0.285SS..Hα-helixtrans-61.3-42.2-179.3-171-173.1162.200112.1T58 N59 C65 R66T58-E62 WeakPolarHBondContact O-CB 3.32Å; T58-E62 PolarHBondContact O-N 2.82Å; N59-E62 PolarHBondContact O-N 2.86Å; E62-C65 PolarHBondContact O-SG 2.95Å; E62-C65 VanDerWaalsContact O-SG 3.41Å; E62-R66 WeakPolarHBondContact O-CD 3.41Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-NE 2.93Å; E62-R66 IonicContact OE1-CZ 3.94Å; E62-R66 VanDerWaalsContact OE1-CZ 3.23Å; E62-R66 IonicContact OE1-NH1 2.97Å; E62-R66 PolarHBondContact OE1-NH1 2.8Å; E62-R66 IonicContact OE1-NH2 3.91Å; E62-R66 PolarHBondContact OE1-NH2 3.34Å
63I89.6Confident89.5Confident5 Ų551.7 Ų51.73%0.02626%0.259CS..Hα-helixtrans-70.2-53.9175.5-68.1176.4000109.6N59 V61 C65 R66 L67 I132 F155 A158N59-I63 WeakPolarHBondContact ND2-CD1 3.41Å; N59-I63 WeakPolarHBondContact O-CB 3.41Å; N59-I63 WeakPolarHBondContact O-CG1 3.42Å; N59-I63 PolarHBondContact O-N 2.81Å; V61-I63 PolarHBondContact O-N 2.77Å; I63-C65 PolarHBondContact O-N 2.78Å; I63-R66 WeakPolarHBondContact O-CB 3.32Å; I63-R66 PolarHBondContact O-N 2.8Å; I63-R66 VanDerWaalsContact O-N 3.13Å; I63-L67 HydrophobicContact CG2-CD1 4.27Å; I63-L67 WeakPolarHBondContact O-CG 3.2Å; I63-I132 HydrophobicContact CG2-CD1 3.95Å; I63-I132 HydrophobicContact CG2-CG1 4.45Å; I63-I132 HydrophobicContact CG2-CG2 4.22Å; I63-F155 HydrophobicContact CG2-CD1 4.35Å; I63-A158 HydrophobicContact CD1-CB 3.98Å; I63-A158 HydrophobicContact CG2-CB 4.47Å
64H92.1Very high90.2Very high5 Ų551.2 Ų51.22%0.02326%0.256CS..Hα-helixtrans-65.6-36.5-168.4-164.2178.5000113.1E60 V61 R66 L67 L73 L75 F155E60-H64 WeakPolarHBondContact O-CB 3.46Å; E60-H64 PolarHBondContact O-N 2.85Å; V61-H64 PolarHBondContact O-N 2.82Å; H64-R66 PolarHBondContact O-N 2.9Å; H64-L67 PolarHBondContact O-N 2.89Å; H64-L67 VanDerWaalsContact O-N 3.08Å; H64-L73 PolarHBondContact NE2-O 2.86Å; H64-L75 HydrophobicContact CB-CD2 4.22Å; H64-F155 HydrophobicContact CB-CD2 4.08Å; H64-F155 AromaticContact CD2-CD2 3.72Å; H64-F155 AromaticContact CD2-CE2 3.78Å; H64-F155 AromaticContact CE1-CD2 3.99Å; H64-F155 AromaticContact CG-CD2 3.65Å; H64-F155 AromaticContact ND1-CD2 3.83Å; H64-F155 AromaticContact NE2-CD2 3.95Å; H64-F155 AromaticContact NE2-CE2 3.81Å
65C90.3Very high90.7Very high69 Ų6950 Ų5047%0.46625%0.248SC..THydrogen-bonded Turntrans-66.4-9.2177.769.50000114.6V61 E62 I63 L75V61-C65 WeakPolarHBondContact O-CB 3.45Å; V61-C65 PolarHBondContact O-N 3.44Å; V61-C65 PolarHBondContact O-SG 3Å; E62-C65 PolarHBondContact O-SG 2.95Å; E62-C65 VanDerWaalsContact O-SG 3.41Å; I63-C65 PolarHBondContact O-N 2.78Å; C65-L75 HydrophobicContact CB-CD2 4.03Å
66R89.4Confident91.3Very high129 Ų12946.3 Ų46.349%0.48723%0.229SC..THydrogen-bonded Turntrans-96.1-7.5176.2-60.7173.1179.6153.88.1113.1E62 I63 H64E62-R66 WeakPolarHBondContact O-CD 3.41Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-NE 2.93Å; E62-R66 IonicContact OE1-CZ 3.94Å; E62-R66 VanDerWaalsContact OE1-CZ 3.23Å; E62-R66 IonicContact OE1-NH1 2.97Å; E62-R66 PolarHBondContact OE1-NH1 2.8Å; E62-R66 IonicContact OE1-NH2 3.91Å; E62-R66 PolarHBondContact OE1-NH2 3.34Å; I63-R66 WeakPolarHBondContact O-CB 3.32Å; I63-R66 PolarHBondContact O-N 2.8Å; I63-R66 VanDerWaalsContact O-N 3.13Å; H64-R66 PolarHBondContact O-N 2.9Å
67L93.1Very high91.8Very high11 Ų1144.5 Ų44.56%0.05823%0.225CC..  trans-97.1128.1-171-48.8-177.8000112.1I63 H64 I72 Y126 L127 I132 F155I63-L67 HydrophobicContact CG2-CD1 4.27Å; I63-L67 WeakPolarHBondContact O-CG 3.2Å; H64-L67 PolarHBondContact O-N 2.89Å; H64-L67 VanDerWaalsContact O-N 3.08Å; L67-I72 HydrophobicContact CB-CG2 4.21Å; L67-I72 HydrophobicContact CD1-CG2 4.28Å; L67-Y126 HydrophobicContact CB-CE1 4.25Å; L67-Y126 HydrophobicContact CD2-CE1 4.05Å; L67-L127 HydrophobicContact CD1-CD2 3.82Å; L67-L127 HydrophobicContact CD2-CD2 4.26Å; L67-I132 HydrophobicContact CD2-CD1 3.54Å; L67-F155 HydrophobicContact CD1-CD1 3.95Å; L67-F155 HydrophobicContact CD1-CD2 4.13Å; L67-F155 HydrophobicContact CD1-CE1 3.53Å; L67-F155 HydrophobicContact CD1-CE2 3.72Å; L67-F155 HydrophobicContact CD1-CG 4.26Å; L67-F155 HydrophobicContact CD1-CZ 3.41Å; L67-F155 VanDerWaalsContact CD1-CZ 3.41Å
68K94.2Very high92.2Very high135 Ų13550.1 Ų50.159%0.58725%0.247SC*.  trans-14690.8178.3-174.767.6171.8-178.70109.8E74 Y126K68-E74 IonicContact NZ-OE1 3.15Å; K68-E74 PolarHBondContact NZ-OE1 3.23Å; K68-E74 IonicContact NZ-OE2 3.72Å; K68-E74 PolarHBondContact NZ-OE2 3.25Å; K68-Y126 PolarHBondContact N-OH 3.38Å
69H96.6Very high92.6Very high44 Ų4447.7 Ų47.720%0.20423%0.23CC..  trans-146.5141.8-179.5-179.7-98.8000110.3S71 I72 K122 Y126H69-S71 PolarHBondContact ND1-N 3.3Å; H69-S71 VanDerWaalsContact ND1-N 3.18Å; H69-S71 PolarHBondContact O-N 2.68Å; H69-S71 VanDerWaalsContact O-N 3.12Å; H69-I72 HydrophobicContact CB-CB 4.27Å; H69-I72 HydrophobicContact CB-CD1 3.95Å; H69-I72 HydrophobicContact CB-CG1 4.13Å; H69-I72 PolarHBondContact O-N 2.81Å; H69-K122 PolarHBondContact CE1-O 3.15Å; H69-Y126 HydrophobicContact CB-CD1 3.84Å; H69-Y126 HydrophobicContact CB-CD2 3.8Å; H69-Y126 HydrophobicContact CB-CE1 4.07Å; H69-Y126 HydrophobicContact CB-CE2 4.04Å; H69-Y126 HydrophobicContact CB-CG 3.69Å; H69-Y126 AromaticContact CD2-CD2 3.83Å; H69-Y126 AromaticContact CD2-CG 3.96Å; H69-Y126 AromaticContact CG-CG 3.82Å
70P96.8Very high93Very high100 Ų10051.2 Ų51.265%0.64925%0.245SC*.THydrogen-bonded Turntrans-53.6-36.5-176.2-30.337.1000114.9K151P70-K151 WeakPolarHBondContact O-CD 3.37Å; P70-K151 WeakPolarHBondContact O-CE 3.23Å; P70-K151 PolarHBondContact O-NZ 2.98Å
71S97.8Very high93.3Very high9 Ų953.6 Ų53.66%0.06326%0.258CS..THydrogen-bonded Turntrans-9111.1-178.4-440000114.8H69 Q119 I150 I152H69-S71 PolarHBondContact ND1-N 3.3Å; H69-S71 VanDerWaalsContact ND1-N 3.18Å; H69-S71 PolarHBondContact O-N 2.68Å; H69-S71 VanDerWaalsContact O-N 3.12Å; S71-Q119 WeakPolarHBondContact CB-O 3.12Å; S71-Q119 PolarHBondContact OG-O 3.3Å; S71-I150 WeakPolarHBondContact CA-O 3.32Å; S71-I152 PolarHBondContact O-N 2.84Å
72I97.6Very high93.6Very high3 Ų357.8 Ų57.82%0.01529%0.288CS..BIsolated β-bridgetrans-117.1140.5176-65.5178.6000108.2L67 H69 E74 Y126 L127 K151 I152 F155L67-I72 HydrophobicContact CB-CG2 4.21Å; L67-I72 HydrophobicContact CD1-CG2 4.28Å; H69-I72 HydrophobicContact CB-CB 4.27Å; H69-I72 HydrophobicContact CB-CD1 3.95Å; H69-I72 HydrophobicContact CB-CG1 4.13Å; H69-I72 PolarHBondContact O-N 2.81Å; I72-E74 PolarHBondContact O-N 2.92Å; I72-Y126 HydrophobicContact CD1-CD1 3.37Å; I72-Y126 HydrophobicContact CD1-CE1 3.89Å; I72-Y126 HydrophobicContact CD1-CG 4.26Å; I72-L127 HydrophobicContact CD1-CD2 3.74Å; I72-L127 HydrophobicContact CD1-CG 3.86Å; I72-K151 WeakPolarHBondContact O-CD 3.46Å; I72-I152 HydrophobicContact CG1-CB 4.45Å; I72-F155 HydrophobicContact CG2-CE2 3.96Å; I72-F155 HydrophobicContact CG2-CZ 3.75Å
73L97.1Very high93.8Very high8 Ų856.1 Ų56.14%0.04228%0.282CS..  trans-61.3123.1174.9-173.571.1000109.9H64 L89 E90 C92 L143 K151 I152 A153H64-L73 PolarHBondContact NE2-O 2.86Å; L73-L89 HydrophobicContact CD2-CB 4.33Å; L73-L89 HydrophobicContact CD2-CD1 4.2Å; L73-L89 HydrophobicContact CD2-CD2 4.11Å; L73-L89 HydrophobicContact CD2-CG 4.46Å; L73-E90 HydrophobicContact CD1-CB 3.98Å; L73-E90 WeakPolarHBondContact CD1-O 3.36Å; L73-C92 VanDerWaalsContact CD1-SG 3.57Å; L73-L143 HydrophobicContact CD1-CD1 4.18Å; L73-L143 HydrophobicContact CD2-CD1 4.08Å; L73-K151 HydrophobicContact CB-CB 4.14Å; L73-K151 HydrophobicContact CD1-CB 4.19Å; L73-I152 WeakPolarHBondContact CB-O 3.13Å; L73-I152 PolarHBondContact N-O 2.98Å; L73-A153 HydrophobicContact CB-CB 4.14Å; L73-A153 HydrophobicContact CD2-CB 3.83Å
74E95.4Very high94Very high49 Ų4959.7 Ų59.723%0.22930%0.295CS..  trans-79.5137.4179.4-171.2169166.400112.8K68 I72 Y76 L89 E90K68-E74 IonicContact NZ-OE1 3.15Å; K68-E74 PolarHBondContact NZ-OE1 3.23Å; K68-E74 IonicContact NZ-OE2 3.72Å; K68-E74 PolarHBondContact NZ-OE2 3.25Å; I72-E74 PolarHBondContact O-N 2.92Å; E74-Y76 HydrophobicContact CB-CD1 4.29Å; E74-Y76 HydrophobicContact CB-CE1 3.97Å; E74-Y76 VanDerWaalsContact CD-CE1 3.45Å; E74-Y76 HydrophobicContact CG-CD1 3.7Å; E74-Y76 HydrophobicContact CG-CE1 3.77Å; E74-L89 CarbonylContact O-C 3.57Å; E74-L89 WeakPolarHBondContact O-CA 3.47Å; E74-E90 HydrophobicContact CB-CB 4.13Å; E74-E90 PolarHBondContact N-OE2 2.81Å; E74-E90 VanDerWaalsContact N-OE2 3.12Å; E74-E90 PolarHBondContact O-N 2.97Å
75L94.6Very high94Very high19 Ų1960.1 Ų60.110%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-96.9103.6165.5178.464.7000108.7H64 C65 N77 L87 L89H64-L75 HydrophobicContact CB-CD2 4.22Å; C65-L75 HydrophobicContact CB-CD2 4.03Å; L75-N77 WeakPolarHBondContact CD1-O 3.34Å; L75-L87 HydrophobicContact CD1-CB 3.81Å; L75-L89 HydrophobicContact CB-CD2 4.19Å; L75-L89 HydrophobicContact CD1-CD2 3.73Å; L75-L89 HydrophobicContact CD1-CG 4.46Å
76Y92.7Very high94.2Very high67 Ų6757.3 Ų57.326%0.26328%0.278SS..EExtended strand (participates in β ladder)trans-74.8-38.3-177.9-61.4-43.1000113.2I5 L36 V38 E74 V88 E90I5-Y76 HydrophobicContact CD1-CD1 4.22Å; I5-Y76 HydrophobicContact CD1-CD2 3.92Å; I5-Y76 HydrophobicContact CD1-CG 3.75Å; L36-Y76 HydrophobicContact CD2-CE2 4.02Å; V38-Y76 HydrophobicContact CG1-CD2 3.9Å; V38-Y76 HydrophobicContact CG1-CE2 3.97Å; E74-Y76 HydrophobicContact CB-CD1 4.29Å; E74-Y76 HydrophobicContact CB-CE1 3.97Å; E74-Y76 VanDerWaalsContact CD-CE1 3.45Å; E74-Y76 HydrophobicContact CG-CD1 3.7Å; E74-Y76 HydrophobicContact CG-CE1 3.77Å; Y76-V88 HydrophobicContact CD2-CG1 4.49Å; Y76-V88 PolarHBondContact N-O 3.48Å; Y76-E90 HydrophobicContact CE2-CB 4.18Å
77N92.1Very high94.5Very high44 Ų4451.2 Ų51.224%0.23526%0.255CS..EExtended strand (participates in β ladder)trans-159.2163.6176-156.910.6000110.9G6 D7 L75 V88G6-N77 PolarHBondContact O-ND2 3.4Å; D7-N77 PolarHBondContact OD1-ND2 2.93Å; L75-N77 WeakPolarHBondContact CD1-O 3.34Å; N77-V88 HydrophobicContact CB-CB 4.34Å; N77-V88 HydrophobicContact CB-CG2 4.41Å; N77-V88 PolarHBondContact N-O 2.54Å; N77-V88 WeakPolarHBondContact O-CB 3.36Å; N77-V88 PolarHBondContact O-N 3.05Å
78Y92.7Very high94.6Very high124 Ų12450.7 Ų50.749%0.48625%0.252SS..EExtended strand (participates in β ladder)trans-137.4148.1163.678.5-81000110.6V61 Y86V61-Y78 HydrophobicContact CG1-CD1 3.97Å; V61-Y78 HydrophobicContact CG1-CD2 4.07Å; V61-Y78 HydrophobicContact CG1-CE1 4.16Å; V61-Y78 HydrophobicContact CG1-CE2 4.25Å; V61-Y78 HydrophobicContact CG1-CG 3.94Å; Y78-Y86 VanDerWaalsContact CA-O 3.26Å; Y78-Y86 WeakPolarHBondContact CA-O 3.29Å
79F93.5Very high94.7Very high21 Ų2144.9 Ų44.99%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-152.7173.5174.656.8-95.7000110K8 I9 F12 Y86 V88K8-F79 VanDerWaalsContact C-CE2 3.47Å; I9-F79 HydrophobicContact CB-CE2 4.06Å; I9-F79 HydrophobicContact CB-CZ 4.36Å; I9-F79 VanDerWaalsContact N-CE2 3.28Å; F12-F79 HydrophobicContact CD2-CE1 4.46Å; F12-F79 HydrophobicContact CD2-CZ 4.32Å; F12-F79 AromaticContact CE2-CE1 3.72Å; F12-F79 HydrophobicContact CE2-CE1 3.72Å; F12-F79 HydrophobicContact CE2-CZ 4.02Å; F12-F79 HydrophobicContact CZ-CE1 4.46Å; F79-Y86 AromaticContact CD2-CD2 3.54Å; F79-Y86 HydrophobicContact CD2-CD2 3.54Å; F79-Y86 HydrophobicContact CD2-CE2 4.32Å; F79-Y86 AromaticContact CD2-CG 3.82Å; F79-Y86 HydrophobicContact CD2-CG 3.82Å; F79-Y86 VanDerWaalsContact CE2-CB 3.43Å; F79-Y86 AromaticContact CE2-CD1 3.88Å; F79-Y86 HydrophobicContact CE2-CD1 3.88Å; F79-Y86 AromaticContact CE2-CD2 3.35Å; F79-Y86 HydrophobicContact CE2-CD2 3.35Å; F79-Y86 HydrophobicContact CE2-CE1 4.46Å; F79-Y86 HydrophobicContact CE2-CE2 4.01Å; F79-Y86 AromaticContact CE2-CG 3.28Å; F79-Y86 HydrophobicContact CE2-CG 3.28Å; F79-Y86 HydrophobicContact CZ-CD1 4.22Å; F79-Y86 HydrophobicContact CZ-CD2 4.36Å; F79-Y86 AromaticContact CZ-CG 3.85Å; F79-Y86 HydrophobicContact CZ-CG 3.85Å; F79-Y86 PolarHBondContact N-O 3.27Å; F79-Y86 PolarHBondContact O-N 3Å; F79-V88 HydrophobicContact CD1-CG2 4.34Å; F79-V88 HydrophobicContact CE1-CG2 3.65Å; F79-V88 HydrophobicContact CZ-CG2 4.47Å
80E93.4Very high94.6Very high124 Ų12444.2 Ų44.258%0.57922%0.224SC*.EExtended strand (participates in β ladder)trans-148.2157179.954.2158.9-121.500113.1K45 Y84 V85K45-E80 WeakPolarHBondContact CE-OE2 3.38Å; K45-E80 IonicContact NZ-OE1 2.68Å; K45-E80 PolarHBondContact NZ-OE1 3.08Å; K45-E80 IonicContact NZ-OE2 2.72Å; K45-E80 PolarHBondContact NZ-OE2 2.83Å; E80-Y84 WeakPolarHBondContact CA-O 3.48Å; E80-Y84 WeakPolarHBondContact CB-O 3.43Å; E80-V85 HydrophobicContact CB-CB 4.46Å; E80-V85 HydrophobicContact CB-CG2 4.13Å
81D93.7Very high94.6Very high55 Ų5540.2 Ų40.229%0.29420%0.197SC..  trans-122.3-163.9171.671.532.7000111.1K45 N83 Y84 Y86K45-D81 WeakPolarHBondContact CE-O 3.45Å; K45-D81 PolarHBondContact NZ-O 3.18Å; D81-N83 VanDerWaalsContact C-N 3.28Å; D81-N83 PolarHBondContact O-N 2.78Å; D81-N83 WeakPolarHBondContact OD1-CA 3.3Å; D81-N83 PolarHBondContact OD1-N 3.13Å; D81-Y84 PolarHBondContact N-O 2.59Å; D81-Y84 PolarHBondContact OD1-N 2.78Å; D81-Y86 HydrophobicContact CB-CE2 4.33Å; D81-Y86 VanDerWaalsContact OD2-CE2 3.26Å; D81-Y86 WeakPolarHBondContact OD2-CE2 3.46Å; D81-Y86 PolarHBondContact OD2-OH 2.61Å
82S93.8Very high94.6Very high104 Ų10440.4 Ų40.473%0.72720%0.198SC*.SBendtrans-70.1-15.8-179.855.10000115.2
83N93.2Very high94.5Very high54 Ų5444.1 Ų44.129%0.28922%0.216SC..SBendtrans-124.9-27.7-176.3-64.3-81.5000113.6K45 K46 D81K45-N83 VanDerWaalsContact CB-O 3.31Å; K45-N83 WeakPolarHBondContact CB-O 3.38Å; K45-N83 WeakPolarHBondContact CG-O 3.32Å; K45-N83 PolarHBondContact N-O 3.41Å; K46-N83 PolarHBondContact NZ-OD1 2.6Å; D81-N83 VanDerWaalsContact C-N 3.28Å; D81-N83 PolarHBondContact O-N 2.78Å; D81-N83 WeakPolarHBondContact OD1-CA 3.3Å; D81-N83 PolarHBondContact OD1-N 3.13Å
84Y94.4Very high94.3Very high80 Ų8046.7 Ų46.731%0.31423%0.229SC..EExtended strand (participates in β ladder)trans-131.4152.4-170.4-60.9-75.7000113.7M42 I43 D44 E80 D81M42-Y84 HydrophobicContact CE-CD1 4.3Å; M42-Y84 HydrophobicContact CE-CD2 4.28Å; M42-Y84 HydrophobicContact CE-CE2 4.49Å; M42-Y84 HydrophobicContact CE-CG 4.2Å; I43-Y84 CarbonylContact O-C 3.57Å; I43-Y84 VanDerWaalsContact O-CA 3.23Å; I43-Y84 WeakPolarHBondContact O-CA 3.44Å; D44-Y84 HydrophobicContact CB-CD1 4.16Å; D44-Y84 HydrophobicContact CB-CE1 3.88Å; E80-Y84 WeakPolarHBondContact CA-O 3.48Å; E80-Y84 WeakPolarHBondContact CB-O 3.43Å; D81-Y84 PolarHBondContact N-O 2.59Å; D81-Y84 PolarHBondContact OD1-N 2.78Å
85V92.8Very high94.3Very high13 Ų1345.8 Ų45.88%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-107137.6160.1-177.30000107.9I43 K45 E80 L87I43-V85 HydrophobicContact CB-CB 4.23Å; I43-V85 PolarHBondContact N-O 2.85Å; I43-V85 PolarHBondContact O-N 2.76Å; K45-V85 HydrophobicContact CD-CG2 4.43Å; K45-V85 HydrophobicContact CG-CG2 4.04Å; E80-V85 HydrophobicContact CB-CB 4.46Å; E80-V85 HydrophobicContact CB-CG2 4.13Å; V85-L87 HydrophobicContact CG1-CD2 4.21Å
86Y94.6Very high94.3Very high10 Ų1048.6 Ų48.64%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-119.7121.2-175.5-60-99000109.8I9 I40 M42 Y78 F79 D81I9-Y86 HydrophobicContact CB-CD1 4.47Å; I9-Y86 HydrophobicContact CB-CE1 3.92Å; I9-Y86 HydrophobicContact CD1-CD1 3.81Å; I9-Y86 HydrophobicContact CD1-CE1 3.62Å; I9-Y86 HydrophobicContact CG1-CD1 4.32Å; I9-Y86 HydrophobicContact CG1-CE1 3.68Å; I40-Y86 HydrophobicContact CG2-CD1 3.95Å; M42-Y86 HydrophobicContact CE-CE1 3.68Å; M42-Y86 HydrophobicContact CG-CD1 3.69Å; M42-Y86 HydrophobicContact CG-CE1 3.75Å; M42-Y86 HydrophobicContact SD-CD1 4.45Å; M42-Y86 HydrophobicContact SD-CE1 3.99Å; Y78-Y86 VanDerWaalsContact CA-O 3.26Å; Y78-Y86 WeakPolarHBondContact CA-O 3.29Å; F79-Y86 AromaticContact CD2-CD2 3.54Å; F79-Y86 HydrophobicContact CD2-CD2 3.54Å; F79-Y86 HydrophobicContact CD2-CE2 4.32Å; F79-Y86 AromaticContact CD2-CG 3.82Å; F79-Y86 HydrophobicContact CD2-CG 3.82Å; F79-Y86 VanDerWaalsContact CE2-CB 3.43Å; F79-Y86 AromaticContact CE2-CD1 3.88Å; F79-Y86 HydrophobicContact CE2-CD1 3.88Å; F79-Y86 AromaticContact CE2-CD2 3.35Å; F79-Y86 HydrophobicContact CE2-CD2 3.35Å; F79-Y86 HydrophobicContact CE2-CE1 4.46Å; F79-Y86 HydrophobicContact CE2-CE2 4.01Å; F79-Y86 AromaticContact CE2-CG 3.28Å; F79-Y86 HydrophobicContact CE2-CG 3.28Å; F79-Y86 HydrophobicContact CZ-CD1 4.22Å; F79-Y86 HydrophobicContact CZ-CD2 4.36Å; F79-Y86 AromaticContact CZ-CG 3.85Å; F79-Y86 HydrophobicContact CZ-CG 3.85Å; F79-Y86 PolarHBondContact N-O 3.27Å; F79-Y86 PolarHBondContact O-N 3Å; D81-Y86 HydrophobicContact CB-CE2 4.33Å; D81-Y86 VanDerWaalsContact OD2-CE2 3.26Å; D81-Y86 WeakPolarHBondContact OD2-CE2 3.46Å; D81-Y86 PolarHBondContact OD2-OH 2.61Å
87L94.4Very high94.4Very high1 Ų145.4 Ų45.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-106.2120170.8-46.8-174.2000108.7I40 K41 I43 V61 L75 V85 L89I40-L87 WeakPolarHBondContact CA-O 3.44Å; K41-L87 HydrophobicContact CB-CB 4.26Å; K41-L87 HydrophobicContact CD-CD1 4.3Å; K41-L87 PolarHBondContact N-O 2.82Å; K41-L87 PolarHBondContact O-N 3.37Å; I43-L87 HydrophobicContact CD1-CD1 4.19Å; I43-L87 HydrophobicContact CD1-CG 4.39Å; V61-L87 HydrophobicContact CG2-CD1 4.2Å; V61-L87 HydrophobicContact CG2-CD2 3.55Å; L75-L87 HydrophobicContact CD1-CB 3.81Å; V85-L87 HydrophobicContact CG1-CD2 4.21Å; L87-L89 HydrophobicContact CB-CG 4.4Å
88V95.6Very high94.5Very high0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-95.6105.3-179.7-172.90000108.7I5 F12 V38 Y76 N77 F79I5-V88 HydrophobicContact CG2-CG1 3.86Å; F12-V88 HydrophobicContact CE1-CG1 3.84Å; F12-V88 HydrophobicContact CE1-CG2 4.45Å; F12-V88 HydrophobicContact CE2-CG2 4.23Å; F12-V88 HydrophobicContact CZ-CG1 3.94Å; F12-V88 HydrophobicContact CZ-CG2 3.84Å; V38-V88 HydrophobicContact CB-CG1 3.95Å; V38-V88 HydrophobicContact CG1-CG1 4.02Å; V38-V88 HydrophobicContact CG2-CG1 3.99Å; Y76-V88 HydrophobicContact CD2-CG1 4.49Å; Y76-V88 PolarHBondContact N-O 3.48Å; N77-V88 HydrophobicContact CB-CB 4.34Å; N77-V88 HydrophobicContact CB-CG2 4.41Å; N77-V88 PolarHBondContact N-O 2.54Å; N77-V88 WeakPolarHBondContact O-CB 3.36Å; N77-V88 PolarHBondContact O-N 3.05Å; F79-V88 HydrophobicContact CD1-CG2 4.34Å; F79-V88 HydrophobicContact CE1-CG2 3.65Å; F79-V88 HydrophobicContact CZ-CG2 4.47Å
89L96Very high94.5Very high13 Ų1345.8 Ų45.87%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-109.7157.3-169.3-59.8164.3000111.8V38 A39 K41 L73 E74 L75 L87V38-L89 WeakPolarHBondContact CA-O 3.43Å; V38-L89 WeakPolarHBondContact CB-O 3.44Å; A39-L89 HydrophobicContact CB-CB 4.29Å; A39-L89 PolarHBondContact N-O 3.34Å; A39-L89 WeakPolarHBondContact O-CA 3.46Å; A39-L89 WeakPolarHBondContact O-CB 3.37Å; A39-L89 PolarHBondContact O-N 3.16Å; K41-L89 HydrophobicContact CB-CD1 3.92Å; L73-L89 HydrophobicContact CD2-CB 4.33Å; L73-L89 HydrophobicContact CD2-CD1 4.2Å; L73-L89 HydrophobicContact CD2-CD2 4.11Å; L73-L89 HydrophobicContact CD2-CG 4.46Å; E74-L89 CarbonylContact O-C 3.57Å; E74-L89 WeakPolarHBondContact O-CA 3.47Å; L75-L89 HydrophobicContact CB-CD2 4.19Å; L75-L89 HydrophobicContact CD1-CD2 3.73Å; L75-L89 HydrophobicContact CD1-CG 4.46Å; L87-L89 HydrophobicContact CB-CG 4.4Å
90E95.8Very high94.6Very high31 Ų3148.1 Ų48.115%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-56.1136.1168.3175.3174.6-153.900112.5L73 E74 Y76 C92 K151L73-E90 HydrophobicContact CD1-CB 3.98Å; L73-E90 WeakPolarHBondContact CD1-O 3.36Å; E74-E90 HydrophobicContact CB-CB 4.13Å; E74-E90 PolarHBondContact N-OE2 2.81Å; E74-E90 VanDerWaalsContact N-OE2 3.12Å; E74-E90 PolarHBondContact O-N 2.97Å; Y76-E90 HydrophobicContact CE2-CB 4.18Å; E90-C92 PolarHBondContact O-N 2.96Å; E90-K151 WeakPolarHBondContact OE1-CE 3.41Å; E90-K151 IonicContact OE1-NZ 2.71Å; E90-K151 PolarHBondContact OE1-NZ 2.85Å; E90-K151 WeakPolarHBondContact OE2-CD 3.49Å; E90-K151 WeakPolarHBondContact OE2-CE 3.37Å; E90-K151 IonicContact OE2-NZ 2.65Å; E90-K151 PolarHBondContact OE2-NZ 3.01Å
91M96.1Very high94.6Very high16 Ų1642.7 Ų42.78%0.07922%0.219CC..  trans-80.6116.9-179-175.862.8-158.700111.5L18 R28 E37 A39L18-M91 HydrophobicContact CD1-CE 3.91Å; L18-M91 HydrophobicContact CD1-SD 3.99Å; L18-M91 HydrophobicContact CD2-CE 4.23Å; R28-M91 HydrophobicContact CG-CE 4.25Å; R28-M91 HydrophobicContact CG-SD 4.16Å; E37-M91 HydrophobicContact CB-CB 4.34Å; E37-M91 HydrophobicContact CB-CG 4.36Å; A39-M91 HydrophobicContact CB-SD 4.31Å
92C96.9Very high94.4Very high13 Ų1348.4 Ų48.49%0.08824%0.241CC..  trans-100.689173.8-68.20000110.6L73 E90 N94 G95 L143 L144L73-C92 VanDerWaalsContact CD1-SG 3.57Å; E90-C92 PolarHBondContact O-N 2.96Å; C92-N94 VanDerWaalsContact C-N 3.25Å; C92-N94 PolarHBondContact O-N 2.82Å; C92-G95 PolarHBondContact O-N 2.96Å; C92-G95 VanDerWaalsContact O-N 3.09Å; C92-L143 HydrophobicContact CB-CB 3.69Å; C92-L143 HydrophobicContact CB-CD1 4.26Å; C92-L144 CarbonylContact C-O 3.55Å; C92-L144 WeakPolarHBondContact CA-O 3.21Å; C92-L144 WeakPolarHBondContact CB-O 3.46Å
93H95Very high94.4Very high81 Ų8149 Ų4938%0.37523%0.233SC..THydrogen-bonded Turntrans-58.5-28.7-172-62.881.9000115.5E37 L144E37-H93 IonicContact OE2-CD2 2.69Å; E37-H93 IonicContact OE2-NE2 3.51Å; E37-H93 PolarHBondContact OE2-NE2 2.91Å; H93-L144 PolarHBondContact N-O 3.43Å
94N94.9Very high94.3Very high62 Ų6250.5 Ų50.533%0.33223%0.234SC..THydrogen-bonded Turntrans-94.24.8-179-69.9-39.4000113.1C92 L144 T145 S146C92-N94 VanDerWaalsContact C-N 3.25Å; C92-N94 PolarHBondContact O-N 2.82Å; N94-L144 HydrophobicContact CB-CB 3.62Å; N94-L144 PolarHBondContact N-O 3.23Å; N94-T145 PolarHBondContact ND2-O 2.85Å; N94-S146 PolarHBondContact ND2-O 2.63Å
95G94.1Very high94.1Very high29 Ų2955.4 Ų55.430%0.29926%0.257SS..EExtended strand (participates in β ladder)trans72.1-153.3169.500000115C92 L143 L144C92-G95 PolarHBondContact O-N 2.96Å; C92-G95 VanDerWaalsContact O-N 3.09Å; G95-L143 CarbonylContact O-C 3.56Å; G95-L143 VanDerWaalsContact O-CA 3.3Å; G95-L143 WeakPolarHBondContact O-CA 3.28Å; G95-L144 PolarHBondContact O-N 3.48Å
96E95Very high94Very high78 Ų7860.8 Ų60.836%0.36428%0.283SS..EExtended strand (participates in β ladder)trans-74.1135.9178.5-64.2170.6-126.700111.8S98 R99 Y100 S140 L143E96-S98 VanDerWaalsContact C-N 3.31Å; E96-S98 PolarHBondContact O-N 2.89Å; E96-S98 PolarHBondContact OE2-OG 2.86Å; E96-R99 HydrophobicContact CB-CB 4.13Å; E96-R99 WeakPolarHBondContact O-CB 3.45Å; E96-R99 PolarHBondContact O-N 2.81Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E96-Y100 PolarHBondContact O-N 2.87Å; E96-S140 VanDerWaalsContact OE2-CB 3.23Å; E96-S140 WeakPolarHBondContact OE2-CB 3.48Å; E96-S140 PolarHBondContact OE2-OG 2.93Å; E96-L143 HydrophobicContact CB-CD2 4.34Å; E96-L143 HydrophobicContact CG-CD2 3.77Å
97M95.6Very high93.9Very high0 Ų062.5 Ų62.50%030%0.296CS..Hα-helixtrans-60.9-37.4177.3172.360.289.800112.5R99 Y100 L101 F108 F116 L139 L142 L144 I150 F204M97-R99 VanDerWaalsContact C-N 3.3Å; M97-R99 PolarHBondContact O-N 2.81Å; M97-Y100 PolarHBondContact O-N 2.87Å; M97-L101 WeakPolarHBondContact O-CB 3.42Å; M97-L101 PolarHBondContact O-N 2.94Å; M97-F108 HydrophobicContact CE-CE2 4.16Å; M97-F108 HydrophobicContact CE-CZ 4.1Å; M97-F108 HydrophobicContact SD-CE2 3.5Å; M97-F108 VanDerWaalsContact SD-CE2 3.5Å; M97-F108 HydrophobicContact SD-CZ 3.53Å; M97-F108 VanDerWaalsContact SD-CZ 3.53Å; M97-F116 HydrophobicContact CE-CD1 3.94Å; M97-F116 HydrophobicContact CE-CD2 3.8Å; M97-F116 HydrophobicContact CE-CE1 4.02Å; M97-F116 HydrophobicContact CE-CE2 3.89Å; M97-F116 HydrophobicContact CE-CG 3.84Å; M97-F116 HydrophobicContact CE-CZ 4.01Å; M97-L139 CarbonylContact C-O 3.55Å; M97-L139 WeakPolarHBondContact CB-O 3.41Å; M97-L139 HydrophobicContact CG-CD2 4.11Å; M97-L139 PolarHBondContact N-O 2.79Å; M97-L142 HydrophobicContact CB-CB 3.96Å; M97-L142 WeakPolarHBondContact CB-O 3.35Å; M97-L142 PolarHBondContact N-O 2.8Å; M97-L144 HydrophobicContact CE-CD1 3.95Å; M97-L144 HydrophobicContact CE-CD2 3.91Å; M97-L144 HydrophobicContact CE-CG 4.18Å; M97-L144 HydrophobicContact SD-CD1 4.04Å; M97-I150 HydrophobicContact CE-CD1 3.59Å; M97-F204 HydrophobicContact CE-CE1 4.01Å; M97-F204 HydrophobicContact CE-CZ 4.41Å; M97-F204 HydrophobicContact CG-CE1 3.73Å; M97-F204 HydrophobicContact CG-CZ 4.45Å; M97-F204 HydrophobicContact SD-CE1 3.96Å
98S93.9Very high94Very high35 Ų3562.9 Ų62.925%0.24530%0.297CS..Hα-helixtrans-58.8-40.9174.259.50000112.2E96 K102 L139 S140E96-S98 VanDerWaalsContact C-N 3.31Å; E96-S98 PolarHBondContact O-N 2.89Å; E96-S98 PolarHBondContact OE2-OG 2.86Å; S98-K102 VanDerWaalsContact O-CB 3.31Å; S98-K102 WeakPolarHBondContact O-CB 3.25Å; S98-K102 PolarHBondContact O-N 3.24Å; S98-L139 PolarHBondContact N-O 2.92Å; S98-S140 WeakPolarHBondContact OG-CA 3.41Å; S98-S140 PolarHBondContact OG-OG 3.33Å
99R93Very high94Very high142 Ų14265.2 Ų65.254%0.53631%0.314SS..Hα-helixtrans-71.7-46.2176.6-178.8176.9173.7-169.1-10.2110.9E96 M97 L101 K102 E103E96-R99 HydrophobicContact CB-CB 4.13Å; E96-R99 WeakPolarHBondContact O-CB 3.45Å; E96-R99 PolarHBondContact O-N 2.81Å; E96-R99 VanDerWaalsContact O-N 3.12Å; M97-R99 VanDerWaalsContact C-N 3.3Å; M97-R99 PolarHBondContact O-N 2.81Å; R99-L101 PolarHBondContact O-N 2.78Å; R99-K102 PolarHBondContact O-N 2.8Å; R99-E103 HydrophobicContact CG-CG 4.29Å; R99-E103 IonicContact CZ-OE1 2.74Å; R99-E103 VanDerWaalsContact CZ-OE1 3.22Å; R99-E103 IonicContact NE-OE1 3.79Å; R99-E103 PolarHBondContact NE-OE1 2.71Å; R99-E103 IonicContact NE-OE2 3.5Å; R99-E103 IonicContact NH2-OE1 3.5Å; R99-E103 PolarHBondContact NH2-OE1 3.33Å; R99-E103 IonicContact NH2-OE2 3.41Å; R99-E103 WeakPolarHBondContact O-CB 3.4Å; R99-E103 WeakPolarHBondContact O-CG 3.36Å; R99-E103 PolarHBondContact O-N 2.59Å
100Y94.4Very high94Very high69 Ų6966.7 Ų66.727%0.27132%0.32SS..Hα-helixtrans-57.2-50.3178.8-176.6-83.4000111.9E96 M97 K102 E103 R104 F108 L144 M148E96-Y100 PolarHBondContact O-N 2.87Å; M97-Y100 PolarHBondContact O-N 2.87Å; Y100-K102 VanDerWaalsContact C-N 3.31Å; Y100-K102 PolarHBondContact O-N 3Å; Y100-E103 PolarHBondContact O-N 3.21Å; Y100-R104 WeakPolarHBondContact O-CB 3.27Å; Y100-R104 PolarHBondContact O-N 2.78Å; Y100-F108 HydrophobicContact CD1-CE1 4.29Å; Y100-F108 AromaticContact CD1-CZ 3.9Å; Y100-F108 HydrophobicContact CD1-CZ 3.9Å; Y100-F108 AromaticContact CE1-CE1 3.94Å; Y100-F108 HydrophobicContact CE1-CE1 3.94Å; Y100-F108 HydrophobicContact CE1-CZ 4.03Å; Y100-L144 HydrophobicContact CD1-CD1 4.1Å; Y100-L144 HydrophobicContact CD2-CD1 3.97Å; Y100-L144 HydrophobicContact CG-CD1 3.71Å; Y100-M148 HydrophobicContact CD1-CE 4.42Å; Y100-M148 HydrophobicContact CE1-CE 3.76Å; Y100-M148 HydrophobicContact CE2-CE 3.88Å; Y100-M148 HydrophobicContact CE2-SD 3.99Å; Y100-M148 VanDerWaalsContact CZ-CE 3.44Å; Y100-M148 WeakPolarHBondContact OH-CE 3.19Å
101L93Very high93.9Very high11 Ų1169.5 Ų69.56%0.05834%0.336CS..Hα-helixtrans-59.1-41.2176.9179.158000111.9M97 R99 K105 F108 L139M97-L101 WeakPolarHBondContact O-CB 3.42Å; M97-L101 PolarHBondContact O-N 2.94Å; R99-L101 PolarHBondContact O-N 2.78Å; L101-K105 PolarHBondContact O-N 2.85Å; L101-F108 HydrophobicContact CB-CE2 4.29Å; L101-F108 HydrophobicContact CD1-CD2 3.97Å; L101-F108 HydrophobicContact CD1-CE2 3.82Å; L101-F108 HydrophobicContact CD1-CZ 4.37Å; L101-F108 HydrophobicContact CD2-CE2 4.47Å; L101-F108 HydrophobicContact CG-CE2 4.42Å; L101-L139 HydrophobicContact CD2-CD1 3.89Å
102K91.2Very high93.9Very high174 Ų17471.6 Ų71.676%0.75735%0.346SS*.Hα-helixtrans-69.2-38.5177.5-175.6173.5-177.4171.70113.5S98 R99 Y100 K105S98-K102 VanDerWaalsContact O-CB 3.31Å; S98-K102 WeakPolarHBondContact O-CB 3.25Å; S98-K102 PolarHBondContact O-N 3.24Å; R99-K102 PolarHBondContact O-N 2.8Å; Y100-K102 VanDerWaalsContact C-N 3.31Å; Y100-K102 PolarHBondContact O-N 3Å; K102-K105 PolarHBondContact O-N 3.45Å
103E92.9Very high93.9Very high117 Ų11771 Ų7155%0.54734%0.341SS..Hα-helixtrans-72.4-32.8177.6-74179.8165.700111.9R99 Y100 K105R99-E103 HydrophobicContact CG-CG 4.29Å; R99-E103 IonicContact CZ-OE1 2.74Å; R99-E103 VanDerWaalsContact CZ-OE1 3.22Å; R99-E103 IonicContact NE-OE1 3.79Å; R99-E103 PolarHBondContact NE-OE1 2.71Å; R99-E103 IonicContact NE-OE2 3.5Å; R99-E103 IonicContact NH2-OE1 3.5Å; R99-E103 PolarHBondContact NH2-OE1 3.33Å; R99-E103 IonicContact NH2-OE2 3.41Å; R99-E103 WeakPolarHBondContact O-CB 3.4Å; R99-E103 WeakPolarHBondContact O-CG 3.36Å; R99-E103 PolarHBondContact O-N 2.59Å; Y100-E103 PolarHBondContact O-N 3.21Å; E103-K105 VanDerWaalsContact C-N 3.31Å; E103-K105 PolarHBondContact O-N 2.89Å
104R91.6Very high94Very high85 Ų8568.1 Ų68.132%0.32133%0.327SS..Hα-helixtrans-65.8-27.5171176.3176.2162138.1-9.6113.7Y100 M106 P107 E112Y100-R104 WeakPolarHBondContact O-CB 3.27Å; Y100-R104 PolarHBondContact O-N 2.78Å; R104-M106 HydrophobicContact CG-CB 4.39Å; R104-M106 PolarHBondContact NE-O 2.78Å; R104-M106 PolarHBondContact O-N 3.28Å; R104-P107 PolarHBondContact NE-O 3.44Å; R104-P107 PolarHBondContact NH2-O 2.8Å; R104-E112 IonicContact CZ-OE1 3.64Å; R104-E112 IonicContact CZ-OE2 2.8Å; R104-E112 IonicContact NH1-OE1 3.2Å; R104-E112 PolarHBondContact NH1-OE1 2.91Å; R104-E112 IonicContact NH1-OE2 3.73Å; R104-E112 PolarHBondContact NH1-OE2 3.45Å; R104-E112 IonicContact NH2-OE1 2.92Å; R104-E112 PolarHBondContact NH2-OE1 3.07Å; R104-E112 IonicContact NH2-OE2 2.81Å; R104-E112 PolarHBondContact NH2-OE2 2.87Å
105K88.9Confident94Very high183 Ų18369.8 Ų69.880%0.79633%0.333SS*.  trans61.7-5.3-178.8-52.6173.3-172.9170.50116.6L101 K102 E103L101-K105 PolarHBondContact O-N 2.85Å; K102-K105 PolarHBondContact O-N 3.45Å; E103-K105 VanDerWaalsContact C-N 3.31Å; E103-K105 PolarHBondContact O-N 2.89Å
106M91.1Very high94.2Very high127 Ų12768.8 Ų68.863%0.62632%0.321SS*.SBendtrans-121143.8178.4-66.3-60.2-64.500109.4R104R104-M106 HydrophobicContact CG-CB 4.39Å; R104-M106 PolarHBondContact NE-O 2.78Å; R104-M106 PolarHBondContact O-N 3.28Å
107P93.3Very high94.3Very high46 Ų4665.1 Ų65.130%0.29930%0.303SS..PPolyproline II helixtrans-55.9170.1169-23.834.3000113.6R104 F204 L205R104-P107 PolarHBondContact NE-O 3.44Å; R104-P107 PolarHBondContact NH2-O 2.8Å; P107-F204 WeakPolarHBondContact CB-O 3.39Å; P107-L205 WeakPolarHBondContact CB-O 3.33Å
108F95.1Very high94.4Very high8 Ų868.8 Ų68.84%0.03532%0.32CS..PPolyproline II helixtrans-80.9148.5169.6-69.6-61.2000110.9M97 Y100 L101 E112 A113 F116 F204M97-F108 HydrophobicContact CE-CE2 4.16Å; M97-F108 HydrophobicContact CE-CZ 4.1Å; M97-F108 HydrophobicContact SD-CE2 3.5Å; M97-F108 VanDerWaalsContact SD-CE2 3.5Å; M97-F108 HydrophobicContact SD-CZ 3.53Å; M97-F108 VanDerWaalsContact SD-CZ 3.53Å; Y100-F108 HydrophobicContact CD1-CE1 4.29Å; Y100-F108 AromaticContact CD1-CZ 3.9Å; Y100-F108 HydrophobicContact CD1-CZ 3.9Å; Y100-F108 AromaticContact CE1-CE1 3.94Å; Y100-F108 HydrophobicContact CE1-CE1 3.94Å; Y100-F108 HydrophobicContact CE1-CZ 4.03Å; L101-F108 HydrophobicContact CB-CE2 4.29Å; L101-F108 HydrophobicContact CD1-CD2 3.97Å; L101-F108 HydrophobicContact CD1-CE2 3.82Å; L101-F108 HydrophobicContact CD1-CZ 4.37Å; L101-F108 HydrophobicContact CD2-CE2 4.47Å; L101-F108 HydrophobicContact CG-CE2 4.42Å; F108-E112 HydrophobicContact CB-CB 3.91Å; F108-E112 HydrophobicContact CD1-CB 3.93Å; F108-E112 HydrophobicContact CD1-CG 4.5Å; F108-E112 HydrophobicContact CG-CB 4.24Å; F108-A113 HydrophobicContact CB-CB 4.41Å; F108-F116 AromaticContact CD1-CE2 3.71Å; F108-F116 HydrophobicContact CD1-CE2 3.71Å; F108-F116 HydrophobicContact CD2-CD2 4.37Å; F108-F116 HydrophobicContact CD2-CE2 4.19Å; F108-F116 AromaticContact CE1-CE2 3.53Å; F108-F116 HydrophobicContact CE1-CE2 3.53Å; F108-F116 HydrophobicContact CE1-CZ 4.1Å; F108-F116 HydrophobicContact CE2-CD2 4.34Å; F108-F116 HydrophobicContact CE2-CE2 4.02Å; F108-F116 HydrophobicContact CG-CD2 4.46Å; F108-F116 HydrophobicContact CG-CE2 4.03Å; F108-F116 HydrophobicContact CZ-CD2 4.43Å; F108-F116 AromaticContact CZ-CE2 3.68Å; F108-F116 HydrophobicContact CZ-CE2 3.68Å; F108-F116 HydrophobicContact CZ-CZ 4.32Å; F108-F204 HydrophobicContact CB-CB 4.46Å; F108-F204 HydrophobicContact CD2-CB 3.92Å; F108-F204 AromaticContact CD2-CD1 3.61Å; F108-F204 HydrophobicContact CD2-CD1 3.61Å; F108-F204 HydrophobicContact CD2-CE1 4.45Å; F108-F204 HydrophobicContact CD2-CG 4.05Å; F108-F204 AromaticContact CE2-CD1 3.72Å; F108-F204 HydrophobicContact CE2-CD1 3.72Å; F108-F204 HydrophobicContact CE2-CE1 4.19Å; F108-F204 PolarHBondContact N-O 3.45Å
109S95.4Very high94.6Very high50 Ų5067.9 Ų67.935%0.3531%0.312SS..PPolyproline II helixtrans-66.1163164.676.50000110.3D111 E112 A113S109-D111 PolarHBondContact O-N 2.76Å; S109-D111 PolarHBondContact OG-N 3.09Å; S109-E112 PolarHBondContact N-OE2 2.68Å; S109-E112 PolarHBondContact O-N 3.24Å; S109-E112 PolarHBondContact OG-N 2.68Å; S109-A113 WeakPolarHBondContact O-CB 3.5Å; S109-A113 PolarHBondContact O-N 3.09Å
110E96.1Very high94.8Very high44 Ų4461.1 Ų61.121%0.20629%0.287CS..Hα-helixtrans-60.6-29.5173.6-73.4-177.7-148.500112.5R114 L205 V234 S235 F264E110-R114 WeakPolarHBondContact O-CB 3.26Å; E110-R114 PolarHBondContact O-N 3.19Å; E110-R114 PolarHBondContact O-NH1 3.43Å; E110-L205 HydrophobicContact CG-CD2 3.82Å; E110-V234 WeakPolarHBondContact OE1-CA 3.45Å; E110-V234 WeakPolarHBondContact OE1-CB 3.23Å; E110-S235 PolarHBondContact OE1-N 2.93Å; E110-S235 PolarHBondContact OE1-OG 3.43Å; E110-S235 VanDerWaalsContact OE2-CB 3.23Å; E110-S235 WeakPolarHBondContact OE2-CB 3.33Å; E110-S235 PolarHBondContact OE2-OG 2.97Å; E110-F264 HydrophobicContact CB-CE2 3.92Å; E110-F264 HydrophobicContact CB-CZ 4.19Å; E110-F264 HydrophobicContact CG-CE2 4.02Å; E110-F264 HydrophobicContact CG-CZ 4.49Å; E110-F264 WeakPolarHBondContact OE2-CE2 3.38Å
111D95.1Very high95Very high89 Ų8957.9 Ų57.948%0.47627%0.274SS..Hα-helixtrans-68.8-43.8174.1-61.3-52.7000113S109 R114 H115 N268S109-D111 PolarHBondContact O-N 2.76Å; S109-D111 PolarHBondContact OG-N 3.09Å; D111-R114 IonicContact OD1-CZ 2.94Å; D111-R114 IonicContact OD1-NH1 3.85Å; D111-R114 PolarHBondContact OD1-NH1 3.03Å; D111-H115 WeakPolarHBondContact O-CB 3.46Å; D111-H115 PolarHBondContact O-N 3.45Å; D111-N268 PolarHBondContact OD1-ND2 3.03Å
112E95.5Very high95.2Very high60 Ų6061.5 Ų61.528%0.2829%0.289SS..Hα-helixtrans-65.8-47.5174.6-68.8174121.700110.9R104 F108 S109 R114 H115 F116R104-E112 IonicContact CZ-OE1 3.64Å; R104-E112 IonicContact CZ-OE2 2.8Å; R104-E112 IonicContact NH1-OE1 3.2Å; R104-E112 PolarHBondContact NH1-OE1 2.91Å; R104-E112 IonicContact NH1-OE2 3.73Å; R104-E112 PolarHBondContact NH1-OE2 3.45Å; R104-E112 IonicContact NH2-OE1 2.92Å; R104-E112 PolarHBondContact NH2-OE1 3.07Å; R104-E112 IonicContact NH2-OE2 2.81Å; R104-E112 PolarHBondContact NH2-OE2 2.87Å; F108-E112 HydrophobicContact CB-CB 3.91Å; F108-E112 HydrophobicContact CD1-CB 3.93Å; F108-E112 HydrophobicContact CD1-CG 4.5Å; F108-E112 HydrophobicContact CG-CB 4.24Å; S109-E112 PolarHBondContact N-OE2 2.68Å; S109-E112 PolarHBondContact O-N 3.24Å; S109-E112 PolarHBondContact OG-N 2.68Å; E112-R114 PolarHBondContact O-N 3.45Å; E112-H115 WeakPolarHBondContact O-CB 3.33Å; E112-H115 PolarHBondContact O-N 3.26Å; E112-F116 HydrophobicContact CB-CE2 4.12Å; E112-F116 WeakPolarHBondContact O-CD2 3.47Å; E112-F116 WeakPolarHBondContact O-CG 3.45Å; E112-F116 PolarHBondContact O-N 3.17Å
113A96.7Very high95.5Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-60-46.6177.800000111.4F108 S109 H115 F116 M117 F201 F204 L205F108-A113 HydrophobicContact CB-CB 4.41Å; S109-A113 WeakPolarHBondContact O-CB 3.5Å; S109-A113 PolarHBondContact O-N 3.09Å; A113-H115 VanDerWaalsContact C-N 3.32Å; A113-H115 PolarHBondContact O-N 2.95Å; A113-F116 PolarHBondContact O-N 3.24Å; A113-M117 VanDerWaalsContact O-CB 3.26Å; A113-M117 WeakPolarHBondContact O-CB 3.46Å; A113-M117 WeakPolarHBondContact O-CG 3.35Å; A113-M117 PolarHBondContact O-N 3.46Å; A113-F201 HydrophobicContact CB-CD2 4.48Å; A113-F201 HydrophobicContact CB-CE2 4.17Å; A113-F204 HydrophobicContact CB-CB 4.01Å; A113-L205 HydrophobicContact CB-CD2 3.71Å; A113-L205 HydrophobicContact CB-CG 4.39Å
114R96.4Very high95.8Very high21 Ų2147.7 Ų47.78%0.07923%0.227CC..Hα-helixtrans-58.1-42.2174.1-175.2-171.5-63.3109.5-9.9111.9E110 D111 E112 M117 H118 F264 M265 N268E110-R114 WeakPolarHBondContact O-CB 3.26Å; E110-R114 PolarHBondContact O-N 3.19Å; E110-R114 PolarHBondContact O-NH1 3.43Å; D111-R114 IonicContact OD1-CZ 2.94Å; D111-R114 IonicContact OD1-NH1 3.85Å; D111-R114 PolarHBondContact OD1-NH1 3.03Å; E112-R114 PolarHBondContact O-N 3.45Å; R114-M117 PolarHBondContact O-N 2.85Å; R114-H118 WeakPolarHBondContact O-CB 3.46Å; R114-H118 PolarHBondContact O-N 3.41Å; R114-F264 HydrophobicContact CB-CE1 3.79Å; R114-F264 HydrophobicContact CB-CZ 3.96Å; R114-F264 HydrophobicContact CG-CE1 4.14Å; R114-F264 PolarHBondContact NE-O 2.83Å; R114-F264 PolarHBondContact NH2-O 3.28Å; R114-M265 HydrophobicContact CG-CE 4.5Å; R114-M265 HydrophobicContact CG-SD 3.98Å; R114-N268 PolarHBondContact NH1-ND2 2.95Å
115H95.8Very high96Very high98 Ų9846.2 Ų46.245%0.45423%0.226SC..Hα-helixtrans-62.1-48.5177.6-173.884.3000111.8D111 E112 A113 Q119D111-H115 WeakPolarHBondContact O-CB 3.46Å; D111-H115 PolarHBondContact O-N 3.45Å; E112-H115 WeakPolarHBondContact O-CB 3.33Å; E112-H115 PolarHBondContact O-N 3.26Å; A113-H115 VanDerWaalsContact C-N 3.32Å; A113-H115 PolarHBondContact O-N 2.95Å; H115-Q119 PolarHBondContact NE2-NE2 3.02Å; H115-Q119 PolarHBondContact O-N 2.89Å
116F97.6Very high96.3Very high8 Ų839.5 Ų39.54%0.03520%0.196CC..Hα-helixtrans-65.2-45.7176.6-58.4-48.6000111.9M97 F108 E112 A113 H118 Q119 I120 L144 M148 I150 F204M97-F116 HydrophobicContact CE-CD1 3.94Å; M97-F116 HydrophobicContact CE-CD2 3.8Å; M97-F116 HydrophobicContact CE-CE1 4.02Å; M97-F116 HydrophobicContact CE-CE2 3.89Å; M97-F116 HydrophobicContact CE-CG 3.84Å; M97-F116 HydrophobicContact CE-CZ 4.01Å; F108-F116 AromaticContact CD1-CE2 3.71Å; F108-F116 HydrophobicContact CD1-CE2 3.71Å; F108-F116 HydrophobicContact CD2-CD2 4.37Å; F108-F116 HydrophobicContact CD2-CE2 4.19Å; F108-F116 AromaticContact CE1-CE2 3.53Å; F108-F116 HydrophobicContact CE1-CE2 3.53Å; F108-F116 HydrophobicContact CE1-CZ 4.1Å; F108-F116 HydrophobicContact CE2-CD2 4.34Å; F108-F116 HydrophobicContact CE2-CE2 4.02Å; F108-F116 HydrophobicContact CG-CD2 4.46Å; F108-F116 HydrophobicContact CG-CE2 4.03Å; F108-F116 HydrophobicContact CZ-CD2 4.43Å; F108-F116 AromaticContact CZ-CE2 3.68Å; F108-F116 HydrophobicContact CZ-CE2 3.68Å; F108-F116 HydrophobicContact CZ-CZ 4.32Å; E112-F116 HydrophobicContact CB-CE2 4.12Å; E112-F116 WeakPolarHBondContact O-CD2 3.47Å; E112-F116 WeakPolarHBondContact O-CG 3.45Å; E112-F116 PolarHBondContact O-N 3.17Å; A113-F116 PolarHBondContact O-N 3.24Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 3.2Å; F116-Q119 PolarHBondContact O-N 3.38Å; F116-I120 HydrophobicContact CB-CD1 4.32Å; F116-I120 WeakPolarHBondContact O-CD1 3.37Å; F116-I120 VanDerWaalsContact O-CG1 3.25Å; F116-I120 WeakPolarHBondContact O-CG1 3.11Å; F116-I120 PolarHBondContact O-N 2.93Å; F116-L144 HydrophobicContact CE1-CD2 4.14Å; F116-M148 HydrophobicContact CE1-CE 4.28Å; F116-M148 WeakPolarHBondContact CE1-O 3.36Å; F116-M148 HydrophobicContact CZ-CE 3.94Å; F116-I150 HydrophobicContact CB-CD1 4.14Å; F116-I150 HydrophobicContact CB-CG1 4.17Å; F116-I150 HydrophobicContact CD1-CD1 3.74Å; F116-I150 HydrophobicContact CD1-CG1 3.85Å; F116-I150 HydrophobicContact CG-CD1 4.15Å; F116-I150 HydrophobicContact CG-CG1 4.41Å; F116-F204 HydrophobicContact CB-CE2 4.13Å; F116-F204 HydrophobicContact CB-CZ 4.22Å
117M97.9Very high96.5Very high0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-53.9-44.9176.9-76.2-69.4-74.200112.1A113 R114 Q119 I120 V121 L197 F201 F204 L245 M265A113-M117 VanDerWaalsContact O-CB 3.26Å; A113-M117 WeakPolarHBondContact O-CB 3.46Å; A113-M117 WeakPolarHBondContact O-CG 3.35Å; A113-M117 PolarHBondContact O-N 3.46Å; R114-M117 PolarHBondContact O-N 2.85Å; M117-Q119 VanDerWaalsContact C-N 3.3Å; M117-Q119 PolarHBondContact O-N 3.23Å; M117-I120 PolarHBondContact O-N 2.95Å; M117-V121 WeakPolarHBondContact O-CB 3.44Å; M117-V121 VanDerWaalsContact O-CG2 3.23Å; M117-V121 WeakPolarHBondContact O-CG2 3.29Å; M117-V121 PolarHBondContact O-N 3.48Å; M117-L197 HydrophobicContact CE-CD1 3.66Å; M117-L197 HydrophobicContact CE-CD2 4.3Å; M117-L197 HydrophobicContact CE-CG 3.87Å; M117-L197 HydrophobicContact SD-CD1 3.53Å; M117-L197 VanDerWaalsContact SD-CD1 3.53Å; M117-L197 HydrophobicContact SD-CG 4.32Å; M117-F201 HydrophobicContact CE-CB 3.66Å; M117-F201 HydrophobicContact CE-CD1 4.24Å; M117-F201 HydrophobicContact CE-CD2 4.02Å; M117-F201 HydrophobicContact CE-CG 3.71Å; M117-F201 HydrophobicContact CG-CD2 3.62Å; M117-F201 HydrophobicContact CG-CE2 4.2Å; M117-F201 HydrophobicContact CG-CG 4.26Å; M117-F201 HydrophobicContact SD-CB 3.62Å; M117-F201 HydrophobicContact SD-CD2 3.88Å; M117-F201 HydrophobicContact SD-CG 3.93Å; M117-F204 HydrophobicContact CG-CD2 4.42Å; M117-F204 HydrophobicContact CG-CE2 4.44Å; M117-F204 HydrophobicContact SD-CE2 4.32Å; M117-L245 HydrophobicContact CE-CD1 4.11Å; M117-M265 HydrophobicContact CB-CE 3.81Å; M117-M265 HydrophobicContact CB-SD 4.05Å
118H97.3Very high96.5Very high77 Ų7732.5 Ų32.536%0.35616%0.158SC..Hα-helixtrans-62.9-35.1178.7166.8-98000112.4R114 F116 K122 M265R114-H118 WeakPolarHBondContact O-CB 3.46Å; R114-H118 PolarHBondContact O-N 3.41Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 3.2Å; H118-K122 PolarHBondContact CE1-NZ 2.99Å; H118-K122 WeakPolarHBondContact NE2-CE 3.48Å; H118-K122 PolarHBondContact NE2-NZ 2.89Å; H118-K122 WeakPolarHBondContact O-CG 3.27Å; H118-K122 PolarHBondContact O-N 2.81Å; H118-M265 HydrophobicContact CB-CE 3.71Å
119Q98Very high96.3Very high17 Ų1737.1 Ų37.18%0.07919%0.186CC..Hα-helixtrans-72.6-45.2173.3-59.6-162.529.200112.1S71 H115 F116 M117 K122 G123 N149 I150S71-Q119 WeakPolarHBondContact CB-O 3.12Å; S71-Q119 PolarHBondContact OG-O 3.3Å; H115-Q119 PolarHBondContact NE2-NE2 3.02Å; H115-Q119 PolarHBondContact O-N 2.89Å; F116-Q119 PolarHBondContact O-N 3.38Å; M117-Q119 VanDerWaalsContact C-N 3.3Å; M117-Q119 PolarHBondContact O-N 3.23Å; Q119-K122 PolarHBondContact O-N 2.82Å; Q119-G123 PolarHBondContact O-N 3.36Å; Q119-N149 PolarHBondContact NE2-OD1 3.32Å; Q119-I150 HydrophobicContact CB-CB 4.01Å; Q119-I150 HydrophobicContact CB-CG1 4.14Å
120I98.4Very high96Very high0 Ų038.6 Ų38.60%019%0.187CC..Hα-helixtrans-60.4-50.1179.9-62.9157.5000110.1F116 M117 K122 G123 M124 L142 I150 L197 M200 F204F116-I120 HydrophobicContact CB-CD1 4.32Å; F116-I120 WeakPolarHBondContact O-CD1 3.37Å; F116-I120 VanDerWaalsContact O-CG1 3.25Å; F116-I120 WeakPolarHBondContact O-CG1 3.11Å; F116-I120 PolarHBondContact O-N 2.93Å; M117-I120 PolarHBondContact O-N 2.95Å; I120-K122 VanDerWaalsContact C-N 3.32Å; I120-K122 PolarHBondContact O-N 3.09Å; I120-G123 CarbonylContact O-C 3.48Å; I120-G123 WeakPolarHBondContact O-CA 3.17Å; I120-G123 PolarHBondContact O-N 2.7Å; I120-M124 HydrophobicContact CG2-CG 4.25Å; I120-M124 HydrophobicContact CG2-SD 3.76Å; I120-M124 WeakPolarHBondContact O-CG 3.42Å; I120-M124 PolarHBondContact O-N 2.79Å; I120-L142 HydrophobicContact CD1-CD1 3.55Å; I120-L142 HydrophobicContact CG1-CD1 3.91Å; I120-L142 HydrophobicContact CG1-CD2 4.29Å; I120-I150 HydrophobicContact CG1-CG1 4.31Å; I120-I150 HydrophobicContact CG1-CG2 3.87Å; I120-L197 HydrophobicContact CB-CD1 4.34Å; I120-L197 HydrophobicContact CG2-CD1 3.72Å; I120-M200 HydrophobicContact CG2-CE 4.12Å; I120-F204 HydrophobicContact CD1-CE2 3.66Å; I120-F204 HydrophobicContact CD1-CZ 3.71Å
121V98.1Very high95.6Very high0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-61.4-38.8-179.3174.20000111.6M117 M124 L125 L197 L256 V259 L260M117-V121 WeakPolarHBondContact O-CB 3.44Å; M117-V121 VanDerWaalsContact O-CG2 3.23Å; M117-V121 WeakPolarHBondContact O-CG2 3.29Å; M117-V121 PolarHBondContact O-N 3.48Å; V121-M124 PolarHBondContact O-N 3.21Å; V121-L125 VanDerWaalsContact O-CB 3.3Å; V121-L125 WeakPolarHBondContact O-CB 3.23Å; V121-L125 PolarHBondContact O-N 3.08Å; V121-L197 HydrophobicContact CG2-CD1 4.05Å; V121-L197 HydrophobicContact CG2-CD2 3.61Å; V121-L197 HydrophobicContact CG2-CG 4.47Å; V121-L256 HydrophobicContact CG1-CB 4.14Å; V121-L256 HydrophobicContact CG1-CD2 4.23Å; V121-L256 VanDerWaalsContact CG1-O 3.28Å; V121-L256 WeakPolarHBondContact CG1-O 3.49Å; V121-V259 HydrophobicContact CG1-CG1 4.38Å; V121-V259 HydrophobicContact CG2-CG1 3.79Å; V121-L260 HydrophobicContact CB-CD2 3.91Å; V121-L260 HydrophobicContact CB-CG 4.48Å; V121-L260 HydrophobicContact CG1-CD1 4.21Å; V121-L260 HydrophobicContact CG1-CD2 3.59Å; V121-L260 HydrophobicContact CG1-CG 3.61Å
122K97.6Very high95.4Very high88 Ų8833.3 Ų33.338%0.38317%0.165SC..Hα-helixtrans-66.3-39173.2-78.6179.4168172.90112.6H69 H118 Q119 I120 L125 Y126 L260H69-K122 PolarHBondContact CE1-O 3.15Å; H118-K122 PolarHBondContact CE1-NZ 2.99Å; H118-K122 WeakPolarHBondContact NE2-CE 3.48Å; H118-K122 PolarHBondContact NE2-NZ 2.89Å; H118-K122 WeakPolarHBondContact O-CG 3.27Å; H118-K122 PolarHBondContact O-N 2.81Å; Q119-K122 PolarHBondContact O-N 2.82Å; I120-K122 VanDerWaalsContact C-N 3.32Å; I120-K122 PolarHBondContact O-N 3.09Å; K122-L125 PolarHBondContact O-N 3.05Å; K122-Y126 PolarHBondContact O-N 3.38Å; K122-Y126 VanDerWaalsContact O-N 3.09Å; K122-L260 HydrophobicContact CG-CD1 4.27Å
123G97.7Very high95.2Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-62.4-44.6171.600000113.2Q119 I120 Y126 L127Q119-G123 PolarHBondContact O-N 3.36Å; I120-G123 CarbonylContact O-C 3.48Å; I120-G123 WeakPolarHBondContact O-CA 3.17Å; I120-G123 PolarHBondContact O-N 2.7Å; G123-Y126 PolarHBondContact O-N 2.93Å; G123-L127 WeakPolarHBondContact O-CG 3.35Å; G123-L127 PolarHBondContact O-N 3.09Å; G123-L127 VanDerWaalsContact O-N 3.08Å
124M97.5Very high95Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-64.5-42175.8-66.4168.571.600111.9I120 V121 Y126 L127 H128 L137 I152 D193 L197 L256I120-M124 HydrophobicContact CG2-CG 4.25Å; I120-M124 HydrophobicContact CG2-SD 3.76Å; I120-M124 WeakPolarHBondContact O-CG 3.42Å; I120-M124 PolarHBondContact O-N 2.79Å; V121-M124 PolarHBondContact O-N 3.21Å; M124-Y126 VanDerWaalsContact C-N 3.29Å; M124-Y126 PolarHBondContact O-N 2.93Å; M124-L127 WeakPolarHBondContact O-CB 3.37Å; M124-L127 PolarHBondContact O-N 3.35Å; M124-L127 VanDerWaalsContact O-N 3.09Å; M124-H128 WeakPolarHBondContact O-CB 3.44Å; M124-H128 PolarHBondContact O-CD2 3.44Å; M124-H128 PolarHBondContact O-N 3.21Å; M124-L137 HydrophobicContact CE-CD1 3.71Å; M124-L137 HydrophobicContact CG-CD1 3.93Å; M124-L137 HydrophobicContact SD-CD1 3.95Å; M124-I152 HydrophobicContact CG-CD1 4.26Å; M124-D193 HydrophobicContact CE-CB 3.93Å; M124-D193 VanDerWaalsContact CE-O 3.23Å; M124-D193 WeakPolarHBondContact CE-O 3.37Å; M124-L197 HydrophobicContact CE-CB 3.85Å; M124-L197 HydrophobicContact CE-CD2 4.2Å; M124-L197 HydrophobicContact SD-CB 3.95Å; M124-L197 HydrophobicContact SD-CD1 3.94Å; M124-L197 HydrophobicContact SD-CD2 4.01Å; M124-L197 HydrophobicContact SD-CG 4.19Å; M124-L256 HydrophobicContact CB-CD1 3.56Å; M124-L256 HydrophobicContact CB-CD2 4.33Å; M124-L256 HydrophobicContact CE-CD2 3.81Å; M124-L256 HydrophobicContact SD-CD2 4.27Å
125L95.9Very high94.6Very high55 Ų5531.5 Ų31.529%0.28816%0.155SC..Hα-helixtrans-61.8-38.5177.6-176.965000111.3V121 K122 T129 L256V121-L125 VanDerWaalsContact O-CB 3.3Å; V121-L125 WeakPolarHBondContact O-CB 3.23Å; V121-L125 PolarHBondContact O-N 3.08Å; K122-L125 PolarHBondContact O-N 3.05Å; L125-T129 HydrophobicContact CD1-CG2 4.38Å; L125-T129 WeakPolarHBondContact O-CB 3.42Å; L125-T129 VanDerWaalsContact O-CG2 3.31Å; L125-T129 WeakPolarHBondContact O-CG2 3.4Å; L125-T129 PolarHBondContact O-N 2.84Å; L125-T129 PolarHBondContact O-OG1 3.34Å; L125-L256 HydrophobicContact CB-CD1 4.37Å; L125-L256 HydrophobicContact CD1-CB 4.28Å
126Y96.6Very high94.4Very high41 Ų4128.1 Ų28.116%0.16114%0.14CC..Hα-helixtrans-62.4-46.2170.9177.7-85.4000112L67 K68 H69 I72 K122 G123 M124 T129 H130L67-Y126 HydrophobicContact CB-CE1 4.25Å; L67-Y126 HydrophobicContact CD2-CE1 4.05Å; K68-Y126 PolarHBondContact N-OH 3.38Å; H69-Y126 HydrophobicContact CB-CD1 3.84Å; H69-Y126 HydrophobicContact CB-CD2 3.8Å; H69-Y126 HydrophobicContact CB-CE1 4.07Å; H69-Y126 HydrophobicContact CB-CE2 4.04Å; H69-Y126 HydrophobicContact CB-CG 3.69Å; H69-Y126 AromaticContact CD2-CD2 3.83Å; H69-Y126 AromaticContact CD2-CG 3.96Å; H69-Y126 AromaticContact CG-CG 3.82Å; I72-Y126 HydrophobicContact CD1-CD1 3.37Å; I72-Y126 HydrophobicContact CD1-CE1 3.89Å; I72-Y126 HydrophobicContact CD1-CG 4.26Å; K122-Y126 PolarHBondContact O-N 3.38Å; K122-Y126 VanDerWaalsContact O-N 3.09Å; G123-Y126 PolarHBondContact O-N 2.93Å; M124-Y126 VanDerWaalsContact C-N 3.29Å; M124-Y126 PolarHBondContact O-N 2.93Å; Y126-T129 WeakPolarHBondContact CA-OG1 3.3Å; Y126-T129 PolarHBondContact O-OG1 3.15Å; Y126-H130 AromaticContact CD2-CE1 3.71Å; Y126-H130 AromaticContact CE1-CE1 4Å; Y126-H130 AromaticContact CE2-CE1 3.31Å; Y126-H130 WeakPolarHBondContact CE2-CE1 3.42Å; Y126-H130 AromaticContact CE2-NE2 3.94Å; Y126-H130 AromaticContact CZ-CE1 3.47Å; Y126-H130 VanDerWaalsContact CZ-CE1 3.47Å; Y126-H130 AromaticContact CZ-ND1 3.98Å; Y126-H130 AromaticContact CZ-NE2 3.8Å; Y126-H130 PolarHBondContact O-N 3.08Å; Y126-H130 PolarHBondContact O-ND1 3.02Å
127L94.6Very high94.3Very high1 Ų127.8 Ų27.81%0.00514%0.139CC..Hα-helixtrans-61-48.5176.9-68.5174.5000112L67 I72 G123 M124 T129 H130 G131 I132 I152 F155L67-L127 HydrophobicContact CD1-CD2 3.82Å; L67-L127 HydrophobicContact CD2-CD2 4.26Å; I72-L127 HydrophobicContact CD1-CD2 3.74Å; I72-L127 HydrophobicContact CD1-CG 3.86Å; G123-L127 WeakPolarHBondContact O-CG 3.35Å; G123-L127 PolarHBondContact O-N 3.09Å; G123-L127 VanDerWaalsContact O-N 3.08Å; M124-L127 WeakPolarHBondContact O-CB 3.37Å; M124-L127 PolarHBondContact O-N 3.35Å; M124-L127 VanDerWaalsContact O-N 3.09Å; L127-T129 PolarHBondContact O-N 3.28Å; L127-H130 CarbonylContact O-C 3.56Å; L127-H130 WeakPolarHBondContact O-CA 3.31Å; L127-H130 PolarHBondContact O-N 2.99Å; L127-G131 PolarHBondContact O-N 3.46Å; L127-I132 CarbonylContact C-O 3.48Å; L127-I132 HydrophobicContact CB-CB 4.33Å; L127-I132 HydrophobicContact CD2-CB 4.37Å; L127-I132 HydrophobicContact CD2-CD1 4.39Å; L127-I132 HydrophobicContact CD2-CG2 4.18Å; L127-I132 PolarHBondContact O-N 3.29Å; L127-I152 HydrophobicContact CD1-CG2 4.38Å; L127-F155 HydrophobicContact CD1-CE1 4.02Å; L127-F155 HydrophobicContact CD2-CE1 3.64Å; L127-F155 HydrophobicContact CD2-CZ 4.18Å; L127-F155 HydrophobicContact CG-CE1 4.5Å
128H92.2Very high94.1Very high26 Ų2628 Ų2812%0.1214%0.141CC..Hα-helixtrans-66.3-36.6-176-70.7-162.9000111.9M124 H130 G131 I132 L190 D193 L256M124-H128 WeakPolarHBondContact O-CB 3.44Å; M124-H128 PolarHBondContact O-CD2 3.44Å; M124-H128 PolarHBondContact O-N 3.21Å; H128-H130 VanDerWaalsContact C-N 3.28Å; H128-H130 PolarHBondContact O-N 2.9Å; H128-G131 WeakPolarHBondContact O-CA 3.33Å; H128-G131 PolarHBondContact O-N 2.87Å; H128-I132 PolarHBondContact CD2-O 2.62Å; H128-L190 HydrophobicContact CB-CD1 4.37Å; H128-L190 HydrophobicContact CB-CD2 4.12Å; H128-L190 PolarHBondContact CE1-O 3.33Å; H128-L190 VanDerWaalsContact CE1-O 3.28Å; H128-D193 IonicContact CD2-OD2 3.7Å; H128-D193 IonicContact CE1-OD2 2.77Å; H128-D193 IonicContact NE2-OD2 3.34Å; H128-D193 PolarHBondContact NE2-OD2 3.41Å; H128-L256 HydrophobicContact CB-CD1 4.48Å; H128-L256 WeakPolarHBondContact ND1-CD1 3.45Å
129T91Very high94Very high104 Ų10424.7 Ų24.764%0.63813%0.125SC*.Hα-helixtrans-69.3-20.9172.749.20000113.9L125 Y126 L127 G131L125-T129 HydrophobicContact CD1-CG2 4.38Å; L125-T129 WeakPolarHBondContact O-CB 3.42Å; L125-T129 VanDerWaalsContact O-CG2 3.31Å; L125-T129 WeakPolarHBondContact O-CG2 3.4Å; L125-T129 PolarHBondContact O-N 2.84Å; L125-T129 PolarHBondContact O-OG1 3.34Å; Y126-T129 WeakPolarHBondContact CA-OG1 3.3Å; Y126-T129 PolarHBondContact O-OG1 3.15Å; L127-T129 PolarHBondContact O-N 3.28Å; T129-G131 VanDerWaalsContact C-N 3.3Å
130H89.5Confident93.7Very high81 Ų8126 Ų2638%0.37514%0.137SC..THydrogen-bonded Turntrans-89.96.1169.2-68.271.1000112.8Y126 L127 H128 I132 Q160Y126-H130 AromaticContact CD2-CE1 3.71Å; Y126-H130 AromaticContact CE1-CE1 4Å; Y126-H130 AromaticContact CE2-CE1 3.31Å; Y126-H130 WeakPolarHBondContact CE2-CE1 3.42Å; Y126-H130 AromaticContact CE2-NE2 3.94Å; Y126-H130 AromaticContact CZ-CE1 3.47Å; Y126-H130 VanDerWaalsContact CZ-CE1 3.47Å; Y126-H130 AromaticContact CZ-ND1 3.98Å; Y126-H130 AromaticContact CZ-NE2 3.8Å; Y126-H130 PolarHBondContact O-N 3.08Å; Y126-H130 PolarHBondContact O-ND1 3.02Å; L127-H130 CarbonylContact O-C 3.56Å; L127-H130 WeakPolarHBondContact O-CA 3.31Å; L127-H130 PolarHBondContact O-N 2.99Å; H128-H130 VanDerWaalsContact C-N 3.28Å; H128-H130 PolarHBondContact O-N 2.9Å; H130-I132 HydrophobicContact CB-CD1 3.91Å; H130-I132 HydrophobicContact CB-CG1 4.35Å; H130-Q160 PolarHBondContact O-NE2 3.2Å
131G88.7Confident93.6Very high17 Ų1727.1 Ų27.118%0.17514%0.142CC..THydrogen-bonded Turntrans73.621.3-178.900000114.2L127 H128 T129 Q160 L161L127-G131 PolarHBondContact O-N 3.46Å; H128-G131 WeakPolarHBondContact O-CA 3.33Å; H128-G131 PolarHBondContact O-N 2.87Å; T129-G131 VanDerWaalsContact C-N 3.3Å; G131-Q160 WeakPolarHBondContact O-CA 3.34Å; G131-L161 WeakPolarHBondContact O-CB 3.37Å; G131-L161 WeakPolarHBondContact O-CG 3.4Å; G131-L161 PolarHBondContact O-N 2.69Å
132I90.8Very high93.5Very high5 Ų527.1 Ų27.13%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-101.8122.1-173.9-61.4161000110.5I63 L67 L127 H128 H130 A158 T159 Q160I63-I132 HydrophobicContact CG2-CD1 3.95Å; I63-I132 HydrophobicContact CG2-CG1 4.45Å; I63-I132 HydrophobicContact CG2-CG2 4.22Å; L67-I132 HydrophobicContact CD2-CD1 3.54Å; L127-I132 CarbonylContact C-O 3.48Å; L127-I132 HydrophobicContact CB-CB 4.33Å; L127-I132 HydrophobicContact CD2-CB 4.37Å; L127-I132 HydrophobicContact CD2-CD1 4.39Å; L127-I132 HydrophobicContact CD2-CG2 4.18Å; L127-I132 PolarHBondContact O-N 3.29Å; H128-I132 PolarHBondContact CD2-O 2.62Å; H130-I132 HydrophobicContact CB-CD1 3.91Å; H130-I132 HydrophobicContact CB-CG1 4.35Å; I132-A158 HydrophobicContact CG2-CB 4.18Å; I132-T159 WeakPolarHBondContact CA-O 3.36Å; I132-Q160 HydrophobicContact CG1-CB 4.41Å; I132-Q160 HydrophobicContact CG1-CG 4.33Å
133L90.2Very high93.5Very high1 Ų124.5 Ų24.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-86.8140.4162.4-73.770.2000108.7R135 A158 T159 L161 G189 L190 D193L133-R135 HydrophobicContact CB-CG 3.76Å; L133-R135 HydrophobicContact CD2-CG 4.12Å; L133-A158 VanDerWaalsContact O-CA 3.22Å; L133-A158 WeakPolarHBondContact O-CA 3.3Å; L133-A158 WeakPolarHBondContact O-CB 3.47Å; L133-T159 HydrophobicContact CB-CG2 4.02Å; L133-T159 PolarHBondContact N-O 2.7Å; L133-T159 PolarHBondContact O-N 2.77Å; L133-L161 HydrophobicContact CD1-CD1 3.66Å; L133-L161 HydrophobicContact CD1-CD2 3.65Å; L133-L161 HydrophobicContact CD1-CG 3.5Å; L133-L161 VanDerWaalsContact CD1-CG 3.5Å; L133-G189 WeakPolarHBondContact CD2-O 3.47Å; L133-L190 HydrophobicContact CD1-CD2 3.59Å; L133-L190 HydrophobicContact CD1-CG 4.33Å; L133-L190 HydrophobicContact CG-CD2 3.99Å; L133-D193 WeakPolarHBondContact CA-OD2 3.45Å
134H92.5Very high93.5Very high0 Ų024.5 Ų24.50%013%0.133CC..  trans-85.9-42.6173.7-157.9-77.4000112.1D136 L137 I152 A153 D154 F155 L157 D193H134-D136 PolarHBondContact ND1-O 2.61Å; H134-D136 PolarHBondContact O-N 3.08Å; H134-D136 VanDerWaalsContact O-N 3.08Å; H134-L137 HydrophobicContact CB-CD1 4.34Å; H134-L137 HydrophobicContact CB-CD2 3.96Å; H134-L137 HydrophobicContact CB-CG 3.81Å; H134-I152 WeakPolarHBondContact NE2-CG2 3.25Å; H134-A153 PolarHBondContact CE1-O 2.72Å; H134-A153 PolarHBondContact NE2-O 2.65Å; H134-D154 PolarHBondContact CE1-O 2.97Å; H134-D154 VanDerWaalsContact CE1-O 3.27Å; H134-F155 AromaticContact CD2-CD1 3.96Å; H134-F155 AromaticContact CD2-CE1 3.61Å; H134-F155 AromaticContact NE2-CE1 3.79Å; H134-L157 CarbonylContact O-C 3.56Å; H134-D193 PolarHBondContact N-OD1 3.4Å; H134-D193 PolarHBondContact N-OD2 3.43Å
135R88.6Confident93.4Very high43 Ų4325.3 Ų25.316%0.16214%0.137CC..SBendtrans62.23.1178.3-51.2-172.3-64.2-167.3-3.2117.1L133 L157 T159 G173 D193L133-R135 HydrophobicContact CB-CG 3.76Å; L133-R135 HydrophobicContact CD2-CG 4.12Å; R135-L157 VanDerWaalsContact CZ-O 3.22Å; R135-L157 PolarHBondContact NE-O 3.05Å; R135-L157 PolarHBondContact NH2-O 3.27Å; R135-T159 VanDerWaalsContact CZ-CG2 3.45Å; R135-G173 WeakPolarHBondContact O-CA 3.36Å; R135-D193 PolarHBondContact N-OD1 2.98Å
136D91.4Very high93.4Very high26 Ų2625.8 Ų25.814%0.13915%0.146CC..  trans-152.152.7173.6-163.234.3000110.4H134 T138 N141 L157 G173 T174H134-D136 PolarHBondContact ND1-O 2.61Å; H134-D136 PolarHBondContact O-N 3.08Å; H134-D136 VanDerWaalsContact O-N 3.08Å; D136-T138 PolarHBondContact O-N 2.73Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.27Å; D136-N141 PolarHBondContact O-ND2 3.48Å; D136-N141 PolarHBondContact OD2-ND2 3.49Å; D136-N141 VanDerWaalsContact OD2-ND2 3.14Å; D136-L157 HydrophobicContact CB-CB 4.12Å; D136-L157 HydrophobicContact CB-CD1 3.67Å; D136-G173 WeakPolarHBondContact OD1-CA 3.33Å; D136-T174 WeakPolarHBondContact OD1-CB 3.5Å; D136-T174 PolarHBondContact OD1-N 3.33Å; D136-T174 PolarHBondContact OD1-OG1 2.98Å
137L94.8Very high93.3Very high1 Ų129.6 Ų29.61%0.00517%0.169CC..  trans-74.5114.4170.7-70.9171.6000108.9M124 H134 I152 D193 M200M124-L137 HydrophobicContact CE-CD1 3.71Å; M124-L137 HydrophobicContact CG-CD1 3.93Å; M124-L137 HydrophobicContact SD-CD1 3.95Å; H134-L137 HydrophobicContact CB-CD1 4.34Å; H134-L137 HydrophobicContact CB-CD2 3.96Å; H134-L137 HydrophobicContact CB-CG 3.81Å; L137-I152 HydrophobicContact CD2-CG2 3.84Å; L137-D193 HydrophobicContact CD1-CB 3.79Å; L137-M200 HydrophobicContact CB-CE 3.83Å; L137-M200 HydrophobicContact CB-SD 4.4Å
138T94.6Very high93.3Very high6 Ų631.9 Ų31.94%0.03718%0.18CC..  trans-143.2164-178.875.10000110D136 S140 N141 L142 T174 Y177D136-T138 PolarHBondContact O-N 2.73Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.27Å; T138-S140 PolarHBondContact O-N 3.37Å; T138-S140 PolarHBondContact OG1-N 3.37Å; T138-N141 CarbonylContact O-C 3.5Å; T138-N141 PolarHBondContact O-N 3.4Å; T138-N141 PolarHBondContact OG1-N 3.26Å; T138-N141 PolarHBondContact OG1-ND2 2.82Å; T138-L142 PolarHBondContact O-N 3.12Å; T138-T174 HydrophobicContact CG2-CG2 4.35Å; T138-Y177 HydrophobicContact CG2-CD2 3.75Å; T138-Y177 HydrophobicContact CG2-CE2 4.31Å; T138-Y177 HydrophobicContact CG2-CG 4.07Å
139L94.4Very high93.5Very high6 Ų633.5 Ų33.53%0.03119%0.19CC..THydrogen-bonded Turntrans-63.9-18.9175.7-61-173.2000114.3M97 S98 L101 L142 Y177 M200 A203 F204M97-L139 CarbonylContact C-O 3.55Å; M97-L139 WeakPolarHBondContact CB-O 3.41Å; M97-L139 HydrophobicContact CG-CD2 4.11Å; M97-L139 PolarHBondContact N-O 2.79Å; S98-L139 PolarHBondContact N-O 2.92Å; L101-L139 HydrophobicContact CD2-CD1 3.89Å; L139-L142 HydrophobicContact CD2-CD1 4.3Å; L139-Y177 HydrophobicContact CG-CE1 4.44Å; L139-M200 HydrophobicContact CD2-CB 3.91Å; L139-M200 HydrophobicContact CD2-CG 3.81Å; L139-M200 HydrophobicContact CD2-SD 4.18Å; L139-M200 HydrophobicContact CG-CG 4.33Å; L139-A203 HydrophobicContact CD1-CB 3.8Å; L139-F204 HydrophobicContact CD2-CD1 4.09Å; L139-F204 HydrophobicContact CD2-CE1 3.41Å; L139-F204 VanDerWaalsContact CD2-CE1 3.41Å; L139-F204 HydrophobicContact CD2-CZ 3.8Å
140S92.8Very high93.8Very high46 Ų4628.6 Ų28.632%0.32216%0.159SC..THydrogen-bonded Turntrans-81.2-25.3170.7-88.10000112.6E96 S98 T138 L142E96-S140 VanDerWaalsContact OE2-CB 3.23Å; E96-S140 WeakPolarHBondContact OE2-CB 3.48Å; E96-S140 PolarHBondContact OE2-OG 2.93Å; S98-S140 WeakPolarHBondContact OG-CA 3.41Å; S98-S140 PolarHBondContact OG-OG 3.33Å; T138-S140 PolarHBondContact O-N 3.37Å; T138-S140 PolarHBondContact OG1-N 3.37Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 2.87Å
141N95.3Very high94.2Very high22 Ų2225.5 Ų25.512%0.11815%0.145CC..SBendtrans-91.19.2178.7-62.2-13.3000112.3D136 T138 A153D136-N141 PolarHBondContact O-ND2 3.48Å; D136-N141 PolarHBondContact OD2-ND2 3.49Å; D136-N141 VanDerWaalsContact OD2-ND2 3.14Å; T138-N141 CarbonylContact O-C 3.5Å; T138-N141 PolarHBondContact O-N 3.4Å; T138-N141 PolarHBondContact OG1-N 3.26Å; T138-N141 PolarHBondContact OG1-ND2 2.82Å; N141-A153 WeakPolarHBondContact CB-O 3.36Å; N141-A153 PolarHBondContact O-N 2.69Å
142L97.4Very high94.6Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-109.1119.3164.6-61.4-176.8000109M97 I120 T138 L139 S140 I150 I152 M200 F204M97-L142 HydrophobicContact CB-CB 3.96Å; M97-L142 WeakPolarHBondContact CB-O 3.35Å; M97-L142 PolarHBondContact N-O 2.8Å; I120-L142 HydrophobicContact CD1-CD1 3.55Å; I120-L142 HydrophobicContact CG1-CD1 3.91Å; I120-L142 HydrophobicContact CG1-CD2 4.29Å; T138-L142 PolarHBondContact O-N 3.12Å; L139-L142 HydrophobicContact CD2-CD1 4.3Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 PolarHBondContact O-N 2.87Å; L142-I150 HydrophobicContact CD2-CG2 3.99Å; L142-I152 HydrophobicContact CD2-CB 4.45Å; L142-I152 HydrophobicContact CD2-CG1 3.75Å; L142-M200 HydrophobicContact CD1-CE 4.42Å; L142-M200 HydrophobicContact CD1-SD 3.68Å; L142-M200 HydrophobicContact CG-SD 4.12Å; L142-F204 HydrophobicContact CD1-CZ 4.19Å
143L97.4Very high94.8Very high34 Ų3424.8 Ų24.818%0.17814%0.138CC..EExtended strand (participates in β ladder)trans-103.3154.8175.9-53.8-177.5000111.4L73 C92 G95 E96 I150 K151 A153L73-L143 HydrophobicContact CD1-CD1 4.18Å; L73-L143 HydrophobicContact CD2-CD1 4.08Å; C92-L143 HydrophobicContact CB-CB 3.69Å; C92-L143 HydrophobicContact CB-CD1 4.26Å; G95-L143 CarbonylContact O-C 3.56Å; G95-L143 VanDerWaalsContact O-CA 3.3Å; G95-L143 WeakPolarHBondContact O-CA 3.28Å; E96-L143 HydrophobicContact CB-CD2 4.34Å; E96-L143 HydrophobicContact CG-CD2 3.77Å; L143-I150 CarbonylContact O-C 3.58Å; L143-I150 WeakPolarHBondContact O-CA 3.37Å; L143-K151 HydrophobicContact CB-CB 4.29Å; L143-K151 PolarHBondContact N-O 3.12Å; L143-K151 PolarHBondContact O-N 3.39Å; L143-A153 HydrophobicContact CD1-CB 3.98Å; L143-A153 HydrophobicContact CG-CB 4.01Å
144L97.1Very high94.7Very high0 Ų027.6 Ų27.60%015%0.153CC..EExtended strand (participates in β ladder)trans-113.9122.9-179.8-74165.6000111.9C92 H93 N94 G95 M97 Y100 F116 M148 I150C92-L144 CarbonylContact C-O 3.55Å; C92-L144 WeakPolarHBondContact CA-O 3.21Å; C92-L144 WeakPolarHBondContact CB-O 3.46Å; H93-L144 PolarHBondContact N-O 3.43Å; N94-L144 HydrophobicContact CB-CB 3.62Å; N94-L144 PolarHBondContact N-O 3.23Å; G95-L144 PolarHBondContact O-N 3.48Å; M97-L144 HydrophobicContact CE-CD1 3.95Å; M97-L144 HydrophobicContact CE-CD2 3.91Å; M97-L144 HydrophobicContact CE-CG 4.18Å; M97-L144 HydrophobicContact SD-CD1 4.04Å; Y100-L144 HydrophobicContact CD1-CD1 4.1Å; Y100-L144 HydrophobicContact CD2-CD1 3.97Å; Y100-L144 HydrophobicContact CG-CD1 3.71Å; F116-L144 HydrophobicContact CE1-CD2 4.14Å; L144-M148 HydrophobicContact CD1-CE 3.87Å; L144-M148 HydrophobicContact CD1-SD 4.45Å; L144-M148 HydrophobicContact CD2-CE 4.05Å; L144-I150 HydrophobicContact CD2-CD1 3.88Å
145T96Very high94.6Very high16 Ų1627.6 Ų27.610%0.09815%0.153CC..  trans-67.3165.6167.459.20000111.5N94 N147 M148 N149 K151N94-T145 PolarHBondContact ND2-O 2.85Å; T145-N147 PolarHBondContact O-N 3.38Å; T145-N147 VanDerWaalsContact O-N 3.09Å; T145-M148 PolarHBondContact O-N 3.21Å; T145-N149 PolarHBondContact N-O 3.27Å; T145-N149 WeakPolarHBondContact OG1-CA 3.43Å; T145-N149 WeakPolarHBondContact OG1-CB 3.46Å; T145-N149 PolarHBondContact OG1-N 2.92Å; T145-N149 PolarHBondContact OG1-O 2.91Å; T145-K151 HydrophobicContact CG2-CD 4.4Å; T145-K151 HydrophobicContact CG2-CG 3.84Å
146S94.5Very high94.3Very high66 Ų6625.7 Ų25.746%0.46215%0.147SC..THydrogen-bonded Turntrans-49.4-34.2173.155.10000113.5N94 M148N94-S146 PolarHBondContact ND2-O 2.63Å; S146-M148 VanDerWaalsContact C-N 3.31Å; S146-M148 PolarHBondContact O-N 3.49Å
147N94.9Very high93.8Very high121 Ų12125.8 Ų25.865%0.64715%0.147SC*.THydrogen-bonded Turntrans-95.121.8-175.2-57.815.4000112.1T145 N149T145-N147 PolarHBondContact O-N 3.38Å; T145-N147 VanDerWaalsContact O-N 3.09Å; N147-N149 PolarHBondContact O-N 2.94Å; N147-N149 VanDerWaalsContact O-N 3.09Å
148M94.7Very high93.5Very high48 Ų4825.8 Ų25.824%0.23615%0.147CC..SBendtrans58.715.2-178.9-63.7-60.3-65.400116.1Y100 F116 L144 T145 S146Y100-M148 HydrophobicContact CD1-CE 4.42Å; Y100-M148 HydrophobicContact CE1-CE 3.76Å; Y100-M148 HydrophobicContact CE2-CE 3.88Å; Y100-M148 HydrophobicContact CE2-SD 3.99Å; Y100-M148 VanDerWaalsContact CZ-CE 3.44Å; Y100-M148 WeakPolarHBondContact OH-CE 3.19Å; F116-M148 HydrophobicContact CE1-CE 4.28Å; F116-M148 WeakPolarHBondContact CE1-O 3.36Å; F116-M148 HydrophobicContact CZ-CE 3.94Å; L144-M148 HydrophobicContact CD1-CE 3.87Å; L144-M148 HydrophobicContact CD1-SD 4.45Å; L144-M148 HydrophobicContact CD2-CE 4.05Å; T145-M148 PolarHBondContact O-N 3.21Å; S146-M148 VanDerWaalsContact C-N 3.31Å; S146-M148 PolarHBondContact O-N 3.49Å
149N96.4Very high93Very high61 Ų6126.6 Ų26.633%0.32615%0.152SC..  trans-78142.3171.1-59.6-63.8000111.4Q119 T145 N147Q119-N149 PolarHBondContact NE2-OD1 3.32Å; T145-N149 PolarHBondContact N-O 3.27Å; T145-N149 WeakPolarHBondContact OG1-CA 3.43Å; T145-N149 WeakPolarHBondContact OG1-CB 3.46Å; T145-N149 PolarHBondContact OG1-N 2.92Å; T145-N149 PolarHBondContact OG1-O 2.91Å; N147-N149 PolarHBondContact O-N 2.94Å; N147-N149 VanDerWaalsContact O-N 3.09Å
150I97.8Very high92.5Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-77.2143.5-178.2-64-70.1000111.1S71 M97 F116 Q119 I120 L142 L143 L144S71-I150 WeakPolarHBondContact CA-O 3.32Å; M97-I150 HydrophobicContact CE-CD1 3.59Å; F116-I150 HydrophobicContact CB-CD1 4.14Å; F116-I150 HydrophobicContact CB-CG1 4.17Å; F116-I150 HydrophobicContact CD1-CD1 3.74Å; F116-I150 HydrophobicContact CD1-CG1 3.85Å; F116-I150 HydrophobicContact CG-CD1 4.15Å; F116-I150 HydrophobicContact CG-CG1 4.41Å; Q119-I150 HydrophobicContact CB-CB 4.01Å; Q119-I150 HydrophobicContact CB-CG1 4.14Å; I120-I150 HydrophobicContact CG1-CG1 4.31Å; I120-I150 HydrophobicContact CG1-CG2 3.87Å; L142-I150 HydrophobicContact CD2-CG2 3.99Å; L143-I150 CarbonylContact O-C 3.58Å; L143-I150 WeakPolarHBondContact O-CA 3.37Å; L144-I150 HydrophobicContact CD2-CD1 3.88Å
151K98Very high91.8Very high17 Ų1728.8 Ų28.87%0.07416%0.158CC..EExtended strand (participates in β ladder)trans-131.3110.6168.8-62.4-66.3-177.7155.90110.1P70 I72 L73 E90 L143 T145P70-K151 WeakPolarHBondContact O-CD 3.37Å; P70-K151 WeakPolarHBondContact O-CE 3.23Å; P70-K151 PolarHBondContact O-NZ 2.98Å; I72-K151 WeakPolarHBondContact O-CD 3.46Å; L73-K151 HydrophobicContact CB-CB 4.14Å; L73-K151 HydrophobicContact CD1-CB 4.19Å; E90-K151 WeakPolarHBondContact OE1-CE 3.41Å; E90-K151 IonicContact OE1-NZ 2.71Å; E90-K151 PolarHBondContact OE1-NZ 2.85Å; E90-K151 WeakPolarHBondContact OE2-CD 3.49Å; E90-K151 WeakPolarHBondContact OE2-CE 3.37Å; E90-K151 IonicContact OE2-NZ 2.65Å; E90-K151 PolarHBondContact OE2-NZ 3.01Å; L143-K151 HydrophobicContact CB-CB 4.29Å; L143-K151 PolarHBondContact N-O 3.12Å; L143-K151 PolarHBondContact O-N 3.39Å; T145-K151 HydrophobicContact CG2-CD 4.4Å; T145-K151 HydrophobicContact CG2-CG 3.84Å
152I98Very high90.7Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-66.6131.9170.3-59.6172.1000108.8S71 I72 L73 M124 L127 H134 L137 L142 F155S71-I152 PolarHBondContact O-N 2.84Å; I72-I152 HydrophobicContact CG1-CB 4.45Å; L73-I152 WeakPolarHBondContact CB-O 3.13Å; L73-I152 PolarHBondContact N-O 2.98Å; M124-I152 HydrophobicContact CG-CD1 4.26Å; L127-I152 HydrophobicContact CD1-CG2 4.38Å; H134-I152 WeakPolarHBondContact NE2-CG2 3.25Å; L137-I152 HydrophobicContact CD2-CG2 3.84Å; L142-I152 HydrophobicContact CD2-CB 4.45Å; L142-I152 HydrophobicContact CD2-CG1 3.75Å; I152-F155 HydrophobicContact CG2-CZ 4.4Å
153A94.8Very high89.1Confident6 Ų641.6 Ų41.65%0.0522%0.217CC..  trans-142.6170.6-170.600000113.1L73 H134 N141 L143L73-A153 HydrophobicContact CB-CB 4.14Å; L73-A153 HydrophobicContact CD2-CB 3.83Å; H134-A153 PolarHBondContact CE1-O 2.72Å; H134-A153 PolarHBondContact NE2-O 2.65Å; N141-A153 WeakPolarHBondContact CB-O 3.36Å; N141-A153 PolarHBondContact O-N 2.69Å; L143-A153 HydrophobicContact CD1-CB 3.98Å; L143-A153 HydrophobicContact CG-CB 4.01Å
154D88.3Confident86.9Confident60 Ų6045.5 Ų45.532%0.32125%0.245SC..  trans5876.3-173.2-153.4-35.6000115.1H134 G156H134-D154 PolarHBondContact CE1-O 2.97Å; H134-D154 VanDerWaalsContact CE1-O 3.27Å; D154-G156 PolarHBondContact O-N 3.03Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-G156 WeakPolarHBondContact OD1-CA 3.48Å; D154-G156 PolarHBondContact OD1-N 2.84Å
155F89.3Confident85.1Confident0 Ų052.5 Ų52.50%028%0.282CS..G310 helixtrans-74.111.7170.2-63.7-76.7000113.6E60 I63 H64 L67 I72 L127 H134 I152 L157 A158E60-F155 HydrophobicContact CG-CB 4.25Å; I63-F155 HydrophobicContact CG2-CD1 4.35Å; H64-F155 HydrophobicContact CB-CD2 4.08Å; H64-F155 AromaticContact CD2-CD2 3.72Å; H64-F155 AromaticContact CD2-CE2 3.78Å; H64-F155 AromaticContact CE1-CD2 3.99Å; H64-F155 AromaticContact CG-CD2 3.65Å; H64-F155 AromaticContact ND1-CD2 3.83Å; H64-F155 AromaticContact NE2-CD2 3.95Å; H64-F155 AromaticContact NE2-CE2 3.81Å; L67-F155 HydrophobicContact CD1-CD1 3.95Å; L67-F155 HydrophobicContact CD1-CD2 4.13Å; L67-F155 HydrophobicContact CD1-CE1 3.53Å; L67-F155 HydrophobicContact CD1-CE2 3.72Å; L67-F155 HydrophobicContact CD1-CG 4.26Å; L67-F155 HydrophobicContact CD1-CZ 3.41Å; L67-F155 VanDerWaalsContact CD1-CZ 3.41Å; I72-F155 HydrophobicContact CG2-CE2 3.96Å; I72-F155 HydrophobicContact CG2-CZ 3.75Å; L127-F155 HydrophobicContact CD1-CE1 4.02Å; L127-F155 HydrophobicContact CD2-CE1 3.64Å; L127-F155 HydrophobicContact CD2-CZ 4.18Å; L127-F155 HydrophobicContact CG-CE1 4.5Å; H134-F155 AromaticContact CD2-CD1 3.96Å; H134-F155 AromaticContact CD2-CE1 3.61Å; H134-F155 AromaticContact NE2-CE1 3.79Å; I152-F155 HydrophobicContact CG2-CZ 4.4Å; F155-L157 PolarHBondContact O-N 3.32Å; F155-A158 HydrophobicContact CB-CB 3.92Å; F155-A158 HydrophobicContact CD1-CB 3.85Å; F155-A158 HydrophobicContact CG-CB 4.41Å; F155-A158 VanDerWaalsContact O-CB 3.27Å; F155-A158 WeakPolarHBondContact O-CB 3.31Å; F155-A158 PolarHBondContact O-N 2.93Å
156G82.5Confident83.4Confident4 Ų454.6 Ų54.64%0.04129%0.291CS..G310 helixtrans-65.4-22.5-179.600000113.9R56 D154R56-G156 WeakPolarHBondContact CG-O 3.26Å; R56-G156 PolarHBondContact NE-O 2.88Å; R56-G156 VanDerWaalsContact NE-O 3.09Å; R56-G156 PolarHBondContact NH1-O 3.09Å; R56-G156 VanDerWaalsContact NH2-C 3.34Å; R56-G156 PolarHBondContact NH2-O 3Å; D154-G156 PolarHBondContact O-N 3.03Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-G156 WeakPolarHBondContact OD1-CA 3.48Å; D154-G156 PolarHBondContact OD1-N 2.84Å
157L81Confident81.9Confident28 Ų2856.5 Ų56.515%0.14729%0.291CS..G310 helixtrans-100.4-0.8168.2-87.8175.6000114.2H134 R135 D136 F155 C172H134-L157 CarbonylContact O-C 3.56Å; R135-L157 VanDerWaalsContact CZ-O 3.22Å; R135-L157 PolarHBondContact NE-O 3.05Å; R135-L157 PolarHBondContact NH2-O 3.27Å; D136-L157 HydrophobicContact CB-CB 4.12Å; D136-L157 HydrophobicContact CB-CD1 3.67Å; F155-L157 PolarHBondContact O-N 3.32Å; L157-C172 HydrophobicContact CD1-CB 4.13Å; L157-C172 HydrophobicContact CD2-CB 3.66Å
158A87.9Confident80.2Confident1 Ų152 Ų521%0.00827%0.266CS..  trans-68.5156.7-177.200000112.9N59 I63 I132 L133 F155N59-A158 PolarHBondContact ND2-O 2.8Å; N59-A158 VanDerWaalsContact ND2-O 3.14Å; I63-A158 HydrophobicContact CD1-CB 3.98Å; I63-A158 HydrophobicContact CG2-CB 4.47Å; I132-A158 HydrophobicContact CG2-CB 4.18Å; L133-A158 VanDerWaalsContact O-CA 3.22Å; L133-A158 WeakPolarHBondContact O-CA 3.3Å; L133-A158 WeakPolarHBondContact O-CB 3.47Å; F155-A158 HydrophobicContact CB-CB 3.92Å; F155-A158 HydrophobicContact CD1-CB 3.85Å; F155-A158 HydrophobicContact CG-CB 4.41Å; F155-A158 VanDerWaalsContact O-CB 3.27Å; F155-A158 WeakPolarHBondContact O-CB 3.31Å; F155-A158 PolarHBondContact O-N 2.93Å
159T85.3Confident78.4Confident22 Ų2256.1 Ų56.114%0.13528%0.283CS..EExtended strand (participates in β ladder)trans-149.6143.8176.3-170.30000110.7I132 L133 R135 H168I132-T159 WeakPolarHBondContact CA-O 3.36Å; L133-T159 HydrophobicContact CB-CG2 4.02Å; L133-T159 PolarHBondContact N-O 2.7Å; L133-T159 PolarHBondContact O-N 2.77Å; R135-T159 VanDerWaalsContact CZ-CG2 3.45Å; T159-H168 WeakPolarHBondContact CG2-NE2 3.42Å; T159-H168 PolarHBondContact OG1-NE2 2.89Å
160Q84.1Confident76.9Confident76 Ų7657.4 Ų57.436%0.35529%0.293SS..EExtended strand (participates in β ladder)trans-99.8121.8176.8-170.3167.436.100110.6H130 G131 I132H130-Q160 PolarHBondContact O-NE2 3.2Å; G131-Q160 WeakPolarHBondContact O-CA 3.34Å; I132-Q160 HydrophobicContact CG1-CB 4.41Å; I132-Q160 HydrophobicContact CG1-CG 4.33Å
161L77.4Confident75.4Confident23 Ų2360.6 Ų60.612%0.1231%0.309CS..  trans-60.4131.9169-63.6170000110.1G131 L133 E166 L190G131-L161 WeakPolarHBondContact O-CB 3.37Å; G131-L161 WeakPolarHBondContact O-CG 3.4Å; G131-L161 PolarHBondContact O-N 2.69Å; L133-L161 HydrophobicContact CD1-CD1 3.66Å; L133-L161 HydrophobicContact CD1-CD2 3.65Å; L133-L161 HydrophobicContact CD1-CG 3.5Å; L133-L161 VanDerWaalsContact CD1-CG 3.5Å; L161-E166 HydrophobicContact CD2-CB 3.83Å; L161-E166 HydrophobicContact CD2-CG 4.44Å; L161-E166 WeakPolarHBondContact CD2-O 3.43Å; L161-L190 HydrophobicContact CD1-CD1 4.35Å; L161-L190 HydrophobicContact CD1-CD2 3.96Å; L161-L190 HydrophobicContact CD1-CG 4.13Å
162K71.6Confident74Confident174 Ų17460.8 Ų60.876%0.75731%0.312SS*.SBendtrans-94.8-18.9170.8-63.2155.1-170.6155.20111.6E166K162-E166 WeakPolarHBondContact CB-OE2 3.08Å; K162-E166 PolarHBondContact N-OE2 3.24Å
163L65.1Low72.8Confident116 Ų11661.9 Ų61.961%0.60732%0.323SS*.SBendtrans-135142.5173.3-59.6170.1000109.3N165 E166L163-N165 PolarHBondContact O-N 2.73Å; L163-E166 HydrophobicContact CB-CB 4.21Å; L163-E166 VanDerWaalsContact O-CB 3.31Å; L163-E166 WeakPolarHBondContact O-CB 3.15Å; L163-E166 PolarHBondContact O-N 3.37Å
164P50.9Low72.2Confident117 Ų11764.1 Ų64.176%0.7634%0.337SS*.THydrogen-bonded Turntrans-55.3-29.1-178.7-28.335.7000114.9
165N58.6Low71.6Confident147 Ų14763.4 Ų63.479%0.78634%0.335SS*.THydrogen-bonded Turntrans-104.217.1-178.4-59.9-3000112.8L163 K167L163-N165 PolarHBondContact O-N 2.73Å; N165-K167 PolarHBondContact O-N 3.36Å; N165-K167 VanDerWaalsContact O-N 3.09Å
166E60.4Low71.5Confident60 Ų6064.8 Ų64.828%0.2834%0.343SS..  trans-71.8100.5-179.5-178.4172.1-160.600111.4L161 K162 L163L161-E166 HydrophobicContact CD2-CB 3.83Å; L161-E166 HydrophobicContact CD2-CG 4.44Å; L161-E166 WeakPolarHBondContact CD2-O 3.43Å; K162-E166 WeakPolarHBondContact CB-OE2 3.08Å; K162-E166 PolarHBondContact N-OE2 3.24Å; L163-E166 HydrophobicContact CB-CB 4.21Å; L163-E166 VanDerWaalsContact O-CB 3.31Å; L163-E166 WeakPolarHBondContact O-CB 3.15Å; L163-E166 PolarHBondContact O-N 3.37Å
167K63.4Low72Confident106 Ų10665.7 Ų65.746%0.46135%0.345SS..  trans-87.3132.6178.3-60.4-164175.5-161.30112N165 F169 A187 H188N165-K167 PolarHBondContact O-N 3.36Å; N165-K167 VanDerWaalsContact O-N 3.09Å; K167-F169 WeakPolarHBondContact O-CE2 3.49Å; K167-A187 HydrophobicContact CB-CB 3.7Å; K167-A187 HydrophobicContact CD-CB 3.82Å; K167-A187 HydrophobicContact CG-CB 4.39Å; K167-H188 CarbonylContact C-O 3.54Å; K167-H188 VanDerWaalsContact CA-O 3.31Å; K167-H188 WeakPolarHBondContact CA-O 3.49Å
168H58.3Low72.4Confident27 Ų2765 Ų6513%0.12534%0.341CS..BIsolated β-bridgetrans-90.1159.5178.9-73.481.1000111.6T159 A187 H188T159-H168 WeakPolarHBondContact CG2-NE2 3.42Å; T159-H168 PolarHBondContact OG1-NE2 2.89Å; H168-A187 CarbonylContact O-C 3.19Å; H168-A187 WeakPolarHBondContact O-CA 3.48Å; H168-H188 VanDerWaalsContact C-CE1 3.49Å; H168-H188 VanDerWaalsContact CB-NE2 3.34Å; H168-H188 WeakPolarHBondContact CB-NE2 3.43Å; H168-H188 PolarHBondContact N-O 3.38Å; H168-H188 PolarHBondContact O-CE1 3.14Å; H168-H188 PolarHBondContact O-N 3.1Å; H168-H188 PolarHBondContact O-ND1 2.86Å
169F56.6Low72.6Confident133 Ų13365.1 Ų65.158%0.58334%0.342SS*.  trans-128-5.2-178.7-64.1-92.1000113.4K167 M171 A187K167-F169 WeakPolarHBondContact O-CE2 3.49Å; F169-M171 PolarHBondContact O-N 3.43Å; F169-A187 HydrophobicContact CD1-CB 4.35Å; F169-A187 HydrophobicContact CE1-CB 3.59Å; F169-A187 HydrophobicContact CE2-CB 4.46Å; F169-A187 HydrophobicContact CZ-CB 3.65Å
170T64.9Low72.9Confident88 Ų8864.4 Ų64.454%0.5434%0.338SS..  trans-76.1107.1-177.9-51.10000110.6C172 H188T170-C172 PolarHBondContact O-N 3.21Å; T170-C172 VanDerWaalsContact O-N 3.11Å; T170-C172 PolarHBondContact O-SG 3.16Å; T170-H188 PolarHBondContact O-CE1 3Å
171M67.2Low73.2Confident67 Ų6761.3 Ų61.333%0.3332%0.323SS..  trans-58.9113.5168173.2-178.2-88.500109.6F169 I178 A183 R185F169-M171 PolarHBondContact O-N 3.43Å; M171-I178 HydrophobicContact CG-CD1 4.38Å; M171-A183 WeakPolarHBondContact CE-O 3.3Å; M171-R185 HydrophobicContact CB-CG 4.35Å; M171-R185 HydrophobicContact CE-CG 3.73Å
172C68.4Low73.6Confident22 Ų2260.7 Ų60.715%0.14932%0.32CS..  trans-154.4172.8178.256.50000110L157 T170L157-C172 HydrophobicContact CD1-CB 4.13Å; L157-C172 HydrophobicContact CD2-CB 3.66Å; T170-C172 PolarHBondContact O-N 3.21Å; T170-C172 VanDerWaalsContact O-N 3.11Å; T170-C172 PolarHBondContact O-SG 3.16Å
173G73.1Confident74.1Confident23 Ų2353.1 Ų53.124%0.23729%0.29CS..SBendtrans92.9166.8-174.400000113.9R135 D136R135-G173 WeakPolarHBondContact O-CA 3.36Å; D136-G173 WeakPolarHBondContact OD1-CA 3.33Å
174T82Confident74.7Confident53 Ų5351 Ų5133%0.32528%0.282SS..  trans-77.1131.6-174.2-62.10000112.5D136 T138 N176 Y177 I178D136-T174 WeakPolarHBondContact OD1-CB 3.5Å; D136-T174 PolarHBondContact OD1-N 3.33Å; D136-T174 PolarHBondContact OD1-OG1 2.98Å; T138-T174 HydrophobicContact CG2-CG2 4.35Å; T174-N176 VanDerWaalsContact C-N 3.28Å; T174-N176 PolarHBondContact O-N 3.31Å; T174-Y177 HydrophobicContact CG2-CD2 4.02Å; T174-Y177 HydrophobicContact CG2-CE2 4.49Å; T174-Y177 PolarHBondContact O-N 2.91Å; T174-I178 PolarHBondContact O-N 3.14Å
175P75.1Confident75.7Confident45 Ų4553.9 Ų53.929%0.29228%0.278SS..THydrogen-bonded Turntrans-56.9-26-170.6-30.136000117.8Y177 I178 V216 T219P175-Y177 VanDerWaalsContact C-N 3.33Å; P175-I178 WeakPolarHBondContact O-CG2 3.09Å; P175-V216 HydrophobicContact CB-CG1 3.99Å; P175-V216 HydrophobicContact CG-CG1 3.85Å; P175-V216 HydrophobicContact CG-CG2 4.35Å; P175-T219 HydrophobicContact CB-CG2 4.25Å; P175-T219 VanDerWaalsContact O-CG2 3.23Å; P175-T219 WeakPolarHBondContact O-CG2 3.49Å
176N86.9Confident76.3Confident29 Ų2949.3 Ų49.316%0.15526%0.258CS..THydrogen-bonded Turntrans-82.4-7.3178-82.8-15.2000114.2T174 P209 D212 T219T174-N176 VanDerWaalsContact C-N 3.28Å; T174-N176 PolarHBondContact O-N 3.31Å; N176-P209 HydrophobicContact CB-CB 3.88Å; N176-P209 HydrophobicContact CB-CG 3.99Å; N176-D212 PolarHBondContact ND2-OD1 3.1Å; N176-T219 WeakPolarHBondContact OD1-CG2 3.37Å
177Y93.2Very high76.7Confident23 Ų2348 Ų489%0.0926%0.257CS..THydrogen-bonded Turntrans-126-11.7-178.1-58.2-91.5000112.6T138 L139 T174 P175 W195 S196 C199 M200T138-Y177 HydrophobicContact CG2-CD2 3.75Å; T138-Y177 HydrophobicContact CG2-CE2 4.31Å; T138-Y177 HydrophobicContact CG2-CG 4.07Å; L139-Y177 HydrophobicContact CG-CE1 4.44Å; T174-Y177 HydrophobicContact CG2-CD2 4.02Å; T174-Y177 HydrophobicContact CG2-CE2 4.49Å; T174-Y177 PolarHBondContact O-N 2.91Å; P175-Y177 VanDerWaalsContact C-N 3.33Å; Y177-W195 VanDerWaalsContact O-CD1 3.3Å; Y177-S196 PolarHBondContact O-OG 3.28Å; Y177-C199 HydrophobicContact CD1-CB 3.57Å; Y177-C199 HydrophobicContact CE1-CB 4.17Å; Y177-C199 HydrophobicContact CG-CB 4.35Å; Y177-M200 HydrophobicContact CD1-CG 3.88Å; Y177-M200 HydrophobicContact CE1-CG 3.69Å
178I89.9Confident77.2Confident14 Ų1443.2 Ų43.27%0.07224%0.236CC..  trans-60.6141.2177.1-159.3170.1000111.2M171 T174 P175 V182 W195 L220 V223M171-I178 HydrophobicContact CG-CD1 4.38Å; T174-I178 PolarHBondContact O-N 3.14Å; P175-I178 WeakPolarHBondContact O-CG2 3.09Å; I178-V182 HydrophobicContact CD1-CB 4.37Å; I178-V182 HydrophobicContact CD1-CG1 3.82Å; I178-V182 HydrophobicContact CG1-CB 3.82Å; I178-V182 HydrophobicContact CG1-CG1 3.7Å; I178-W195 PolarHBondContact O-NE1 3.32Å; I178-L220 HydrophobicContact CG2-CD2 3.61Å; I178-V223 HydrophobicContact CG2-CG1 4.39Å; I178-V223 WeakPolarHBondContact O-CG1 3.46Å
179S92.8Very high78.4Confident2 Ų242.2 Ų42.21%0.01423%0.233CC..  trans-88.3160.7-178.467.60000113.2E181 V182 A183 S192 W195S179-E181 VanDerWaalsContact C-N 3.3Å; S179-E181 WeakPolarHBondContact CB-OE1 3.48Å; S179-E181 PolarHBondContact O-N 3.5Å; S179-E181 PolarHBondContact OG-OE1 2.85Å; S179-E181 PolarHBondContact OG-OE2 3.23Å; S179-V182 PolarHBondContact O-N 3.33Å; S179-V182 VanDerWaalsContact O-N 3.14Å; S179-V182 VanDerWaalsContact OG-CG2 3.31Å; S179-V182 WeakPolarHBondContact OG-CG2 3.45Å; S179-A183 WeakPolarHBondContact O-CB 3.37Å; S179-A183 PolarHBondContact O-N 2.9Å; S179-S192 WeakPolarHBondContact OG-CB 3.27Å; S179-S192 PolarHBondContact OG-OG 2.91Å; S179-W195 VanDerWaalsContact CA-CD1 3.44Å
180P91.4Very high79.9Confident8 Ų838.1 Ų38.15%0.05222%0.217CC..Hα-helixtrans-58.9-40.7-176.6-24.435.8000112.4A183 T184 W195 V223 R248P180-A183 PolarHBondContact O-N 2.99Å; P180-T184 WeakPolarHBondContact O-CG2 3.39Å; P180-T184 PolarHBondContact O-N 3.06Å; P180-T184 PolarHBondContact O-OG1 3.24Å; P180-T184 VanDerWaalsContact O-OG1 3.05Å; P180-W195 HydrophobicContact CG-CD2 4.45Å; P180-W195 HydrophobicContact CG-CE3 4.12Å; P180-W195 HydrophobicContact CG-CH2 3.44Å; P180-W195 VanDerWaalsContact CG-CH2 3.44Å; P180-W195 HydrophobicContact CG-CZ2 3.81Å; P180-W195 HydrophobicContact CG-CZ3 3.61Å; P180-V223 HydrophobicContact CG-CG1 4.23Å; P180-V223 WeakPolarHBondContact CG-O 3.48Å; P180-R248 HydrophobicContact CG-CG 4.45Å
181E90Very high81.2Confident11 Ų1137 Ų375%0.05121%0.206CC..Hα-helixtrans-66.5-36.2177.867.6-76.4173.900112.9S179 T184 R185 S186 H188 S192 P250 R253S179-E181 VanDerWaalsContact C-N 3.3Å; S179-E181 WeakPolarHBondContact CB-OE1 3.48Å; S179-E181 PolarHBondContact O-N 3.5Å; S179-E181 PolarHBondContact OG-OE1 2.85Å; S179-E181 PolarHBondContact OG-OE2 3.23Å; E181-T184 PolarHBondContact O-OG1 3.14Å; E181-R185 PolarHBondContact O-N 2.97Å; E181-S186 WeakPolarHBondContact O-CA 3.38Å; E181-S186 VanDerWaalsContact O-CB 3.27Å; E181-S186 WeakPolarHBondContact O-CB 3.49Å; E181-S186 PolarHBondContact O-N 2.9Å; E181-H188 HydrophobicContact CG-CB 3.8Å; E181-S192 WeakPolarHBondContact OE1-CA 3.34Å; E181-S192 WeakPolarHBondContact OE1-CB 3.34Å; E181-S192 PolarHBondContact OE1-OG 3.39Å; E181-P250 HydrophobicContact CG-CG 4.44Å; E181-R253 IonicContact OE1-CZ 2.84Å; E181-R253 IonicContact OE1-NH1 3.85Å; E181-R253 PolarHBondContact OE1-NH1 3.2Å; E181-R253 IonicContact OE1-NH2 3.98Å; E181-R253 IonicContact OE2-CZ 2.64Å; E181-R253 IonicContact OE2-NH1 3.64Å; E181-R253 PolarHBondContact OE2-NH1 2.91Å; E181-R253 IonicContact OE2-NH2 2.66Å; E181-R253 PolarHBondContact OE2-NH2 3.02Å
182V85.6Confident82.4Confident9 Ų934.2 Ų34.26%0.05519%0.193CC..Hα-helixtrans-72.8-40.1174.3-176.20000110.3I178 S179 T184 R185 H188I178-V182 HydrophobicContact CD1-CB 4.37Å; I178-V182 HydrophobicContact CD1-CG1 3.82Å; I178-V182 HydrophobicContact CG1-CB 3.82Å; I178-V182 HydrophobicContact CG1-CG1 3.7Å; S179-V182 PolarHBondContact O-N 3.33Å; S179-V182 VanDerWaalsContact O-N 3.14Å; S179-V182 VanDerWaalsContact OG-CG2 3.31Å; S179-V182 WeakPolarHBondContact OG-CG2 3.45Å; V182-T184 VanDerWaalsContact C-N 3.33Å; V182-T184 PolarHBondContact O-N 2.97Å; V182-R185 PolarHBondContact O-N 3.41Å; V182-H188 HydrophobicContact CG2-CB 3.81Å
183A83.1Confident83.6Confident16 Ų1633.3 Ų33.313%0.13219%0.187CC..Hα-helixtrans-62.7-34.917700000112.8M171 S179 P180 R185 L220 V223 V224M171-A183 WeakPolarHBondContact CE-O 3.3Å; S179-A183 WeakPolarHBondContact O-CB 3.37Å; S179-A183 PolarHBondContact O-N 2.9Å; P180-A183 PolarHBondContact O-N 2.99Å; A183-R185 VanDerWaalsContact C-N 3.32Å; A183-L220 HydrophobicContact CB-CD2 4.08Å; A183-V223 HydrophobicContact CB-CG1 4.15Å; A183-V224 HydrophobicContact CB-CG2 3.74Å
184T77.7Confident84.8Confident72 Ų7232.6 Ų32.644%0.44218%0.178SC..THydrogen-bonded Turntrans-84.41.6173.658.50000114.3P180 E181 V182 S186 V224P180-T184 WeakPolarHBondContact O-CG2 3.39Å; P180-T184 PolarHBondContact O-N 3.06Å; P180-T184 PolarHBondContact O-OG1 3.24Å; P180-T184 VanDerWaalsContact O-OG1 3.05Å; E181-T184 PolarHBondContact O-OG1 3.14Å; V182-T184 VanDerWaalsContact C-N 3.33Å; V182-T184 PolarHBondContact O-N 2.97Å; T184-S186 PolarHBondContact O-N 3.25Å; T184-S186 PolarHBondContact OG1-OG 2.72Å; T184-V224 HydrophobicContact CG2-CG1 3.97Å; T184-V224 HydrophobicContact CG2-CG2 3.91Å
185R71.9Confident85.5Confident176 Ų17630 Ų3066%0.66416%0.162SC*.THydrogen-bonded Turntrans60.827.4-173.5-51.4-178175.9-143.7-6113.7M171 E181 V182 A183M171-R185 HydrophobicContact CB-CG 4.35Å; M171-R185 HydrophobicContact CE-CG 3.73Å; E181-R185 PolarHBondContact O-N 2.97Å; V182-R185 PolarHBondContact O-N 3.41Å; A183-R185 VanDerWaalsContact C-N 3.32Å
186S70.5Confident86.6Confident52 Ų5228.3 Ų28.336%0.36415%0.151SC..  trans-76.5166.7174.1-61.50000111.7E181 T184 H188E181-S186 WeakPolarHBondContact O-CA 3.38Å; E181-S186 VanDerWaalsContact O-CB 3.27Å; E181-S186 WeakPolarHBondContact O-CB 3.49Å; E181-S186 PolarHBondContact O-N 2.9Å; T184-S186 PolarHBondContact O-N 3.25Å; T184-S186 PolarHBondContact OG1-OG 2.72Å; S186-H188 PolarHBondContact O-N 2.75Å; S186-H188 PolarHBondContact O-ND1 2.84Å
187A69.1Low87.1Confident33 Ų3326.9 Ų26.927%0.27314%0.144SC..  trans-68.3112.5177.200000110.6K167 H168 F169K167-A187 HydrophobicContact CB-CB 3.7Å; K167-A187 HydrophobicContact CD-CB 3.82Å; K167-A187 HydrophobicContact CG-CB 4.39Å; H168-A187 CarbonylContact O-C 3.19Å; H168-A187 WeakPolarHBondContact O-CA 3.48Å; F169-A187 HydrophobicContact CD1-CB 4.35Å; F169-A187 HydrophobicContact CE1-CB 3.59Å; F169-A187 HydrophobicContact CE2-CB 4.46Å; F169-A187 HydrophobicContact CZ-CB 3.65Å
188H73.7Confident87.3Confident4 Ų425.8 Ų25.82%0.01914%0.139CC..BIsolated β-bridgetrans-118.6152.4-171.959.8-96.8000113.8K167 H168 T170 E181 V182 S186 S192K167-H188 CarbonylContact C-O 3.54Å; K167-H188 VanDerWaalsContact CA-O 3.31Å; K167-H188 WeakPolarHBondContact CA-O 3.49Å; H168-H188 VanDerWaalsContact C-CE1 3.49Å; H168-H188 VanDerWaalsContact CB-NE2 3.34Å; H168-H188 WeakPolarHBondContact CB-NE2 3.43Å; H168-H188 PolarHBondContact N-O 3.38Å; H168-H188 PolarHBondContact O-CE1 3.14Å; H168-H188 PolarHBondContact O-N 3.1Å; H168-H188 PolarHBondContact O-ND1 2.86Å; T170-H188 PolarHBondContact O-CE1 3Å; E181-H188 HydrophobicContact CG-CB 3.8Å; V182-H188 HydrophobicContact CG2-CB 3.81Å; S186-H188 PolarHBondContact O-N 2.75Å; S186-H188 PolarHBondContact O-ND1 2.84Å; H188-S192 WeakPolarHBondContact CB-OG 3.45Å
189G83.1Confident87.7Confident6 Ų625.1 Ų25.16%0.06214%0.136CC..  trans-135.8-150.6-175.100000112.8L133 E191 S192L133-G189 WeakPolarHBondContact CD2-O 3.47Å; G189-E191 WeakPolarHBondContact CA-OE2 3.37Å; G189-E191 PolarHBondContact N-OE2 2.77Å; G189-E191 PolarHBondContact O-N 3.49Å; G189-S192 PolarHBondContact O-N 3.27Å
190L88.4Confident88Confident47 Ų4725 Ų2525%0.24614%0.135CC..THydrogen-bonded Turntrans-62.3-24.9-179.8-61.7171.2000112.3H128 L133 L161 S192 D193H128-L190 HydrophobicContact CB-CD1 4.37Å; H128-L190 HydrophobicContact CB-CD2 4.12Å; H128-L190 PolarHBondContact CE1-O 3.33Å; H128-L190 VanDerWaalsContact CE1-O 3.28Å; L133-L190 HydrophobicContact CD1-CD2 3.59Å; L133-L190 HydrophobicContact CD1-CG 4.33Å; L133-L190 HydrophobicContact CG-CD2 3.99Å; L161-L190 HydrophobicContact CD1-CD1 4.35Å; L161-L190 HydrophobicContact CD1-CD2 3.96Å; L161-L190 HydrophobicContact CD1-CG 4.13Å; L190-S192 PolarHBondContact O-N 2.87Å; L190-D193 PolarHBondContact O-N 3.43Å
191E92.1Very high88.3Confident66 Ų6624.7 Ų24.731%0.30813%0.133SC..Hα-helixtrans-66.8-19.5-176.8-46.683.5174.700112.9G189 V194 W195 P250 R253G189-E191 WeakPolarHBondContact CA-OE2 3.37Å; G189-E191 PolarHBondContact N-OE2 2.77Å; G189-E191 PolarHBondContact O-N 3.49Å; E191-V194 WeakPolarHBondContact O-CB 3.47Å; E191-V194 PolarHBondContact O-N 2.96Å; E191-W195 PolarHBondContact O-N 3.14Å; E191-P250 HydrophobicContact CB-CB 3.59Å; E191-P250 HydrophobicContact CG-CB 4.08Å; E191-R253 WeakPolarHBondContact O-CD 3.18Å; E191-R253 PolarHBondContact O-NH1 3.47Å
192S92.5Very high88.7Confident8 Ų824.1 Ų24.16%0.05613%0.13CC..Hα-helixtrans-76.7-31.3177.2-51.30000112.7S179 E181 H188 G189 L190 V194 W195 S196S179-S192 WeakPolarHBondContact OG-CB 3.27Å; S179-S192 PolarHBondContact OG-OG 2.91Å; E181-S192 WeakPolarHBondContact OE1-CA 3.34Å; E181-S192 WeakPolarHBondContact OE1-CB 3.34Å; E181-S192 PolarHBondContact OE1-OG 3.39Å; H188-S192 WeakPolarHBondContact CB-OG 3.45Å; G189-S192 PolarHBondContact O-N 3.27Å; L190-S192 PolarHBondContact O-N 2.87Å; S192-V194 VanDerWaalsContact C-N 3.27Å; S192-W195 PolarHBondContact O-N 3.13Å; S192-S196 PolarHBondContact O-N 3.37Å; S192-S196 VanDerWaalsContact O-N 3.14Å; S192-S196 PolarHBondContact O-OG 2.98Å
193D94.6Very high89.2Confident2 Ų223.8 Ų23.81%0.01113%0.128CC..Hα-helixtrans-66.9-32.2169-73.8-20.3000110.3M124 H128 L133 H134 R135 L137 L190 S196 L197M124-D193 HydrophobicContact CE-CB 3.93Å; M124-D193 VanDerWaalsContact CE-O 3.23Å; M124-D193 WeakPolarHBondContact CE-O 3.37Å; H128-D193 IonicContact CD2-OD2 3.7Å; H128-D193 IonicContact CE1-OD2 2.77Å; H128-D193 IonicContact NE2-OD2 3.34Å; H128-D193 PolarHBondContact NE2-OD2 3.41Å; L133-D193 WeakPolarHBondContact CA-OD2 3.45Å; H134-D193 PolarHBondContact N-OD1 3.4Å; H134-D193 PolarHBondContact N-OD2 3.43Å; R135-D193 PolarHBondContact N-OD1 2.98Å; L137-D193 HydrophobicContact CD1-CB 3.79Å; L190-D193 PolarHBondContact O-N 3.43Å; D193-S196 WeakPolarHBondContact O-CB 3.27Å; D193-S196 PolarHBondContact O-N 3.47Å; D193-L197 PolarHBondContact O-N 3.23Å
194V97.1Very high89.8Confident8 Ų823 Ų235%0.04812%0.122CC..Hα-helixtrans-68.3-38.9176.3-176.10000112.3E191 S192 S196 L197 G198 L245 R253 L256E191-V194 WeakPolarHBondContact O-CB 3.47Å; E191-V194 PolarHBondContact O-N 2.96Å; S192-V194 VanDerWaalsContact C-N 3.27Å; V194-S196 VanDerWaalsContact C-N 3.33Å; V194-L197 WeakPolarHBondContact O-CB 3.46Å; V194-L197 PolarHBondContact O-N 3.19Å; V194-G198 PolarHBondContact O-N 2.76Å; V194-G198 VanDerWaalsContact O-N 3.1Å; V194-L245 HydrophobicContact CG1-CD2 3.51Å; V194-R253 HydrophobicContact CG1-CB 4.17Å; V194-L256 HydrophobicContact CG2-CD2 4.08Å; V194-L256 HydrophobicContact CG2-CG 4.39Å
195W97.4Very high90.7Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-62.7-41169.6172.2-80.8000111.9Y177 I178 S179 P180 E191 S192 L197 G198 C199 F211 V223 L246 Q247Y177-W195 VanDerWaalsContact O-CD1 3.3Å; I178-W195 PolarHBondContact O-NE1 3.32Å; S179-W195 VanDerWaalsContact CA-CD1 3.44Å; P180-W195 HydrophobicContact CG-CD2 4.45Å; P180-W195 HydrophobicContact CG-CE3 4.12Å; P180-W195 HydrophobicContact CG-CH2 3.44Å; P180-W195 VanDerWaalsContact CG-CH2 3.44Å; P180-W195 HydrophobicContact CG-CZ2 3.81Å; P180-W195 HydrophobicContact CG-CZ3 3.61Å; E191-W195 PolarHBondContact O-N 3.14Å; S192-W195 PolarHBondContact O-N 3.13Å; W195-L197 VanDerWaalsContact C-N 3.3Å; W195-L197 PolarHBondContact O-N 2.89Å; W195-G198 WeakPolarHBondContact O-CA 3.44Å; W195-G198 PolarHBondContact O-N 3.08Å; W195-G198 VanDerWaalsContact O-N 3.09Å; W195-C199 PolarHBondContact NE1-SG 3.2Å; W195-C199 VanDerWaalsContact NE1-SG 3.41Å; W195-C199 PolarHBondContact O-N 2.85Å; W195-C199 PolarHBondContact O-SG 2.82Å; W195-C199 VanDerWaalsContact O-SG 3.4Å; W195-F211 AromaticContact CE2-CE2 3.9Å; W195-F211 AromaticContact CH2-CE2 4Å; W195-F211 HydrophobicContact CH2-CE2 4Å; W195-F211 AromaticContact CH2-CZ 3.64Å; W195-F211 HydrophobicContact CH2-CZ 3.64Å; W195-F211 HydrophobicContact CZ2-CD2 4.22Å; W195-F211 HydrophobicContact CZ2-CE1 4.43Å; W195-F211 AromaticContact CZ2-CE2 3.26Å; W195-F211 HydrophobicContact CZ2-CE2 3.26Å; W195-F211 AromaticContact CZ2-CZ 3.39Å; W195-F211 HydrophobicContact CZ2-CZ 3.39Å; W195-V223 HydrophobicContact CZ2-CG1 4.09Å; W195-L246 HydrophobicContact CD2-CD2 3.92Å; W195-L246 HydrophobicContact CE3-CB 4.43Å; W195-L246 HydrophobicContact CE3-CD2 4.09Å; W195-L246 HydrophobicContact CG-CD2 4.38Å; W195-L246 HydrophobicContact CZ2-CD2 4.44Å; W195-L246 HydrophobicContact CZ3-CB 4.22Å; W195-L246 HydrophobicContact CZ3-CD2 4.44Å; W195-L246 VanDerWaalsContact CZ3-O 3.24Å; W195-L246 WeakPolarHBondContact CZ3-O 3.29Å; W195-Q247 WeakPolarHBondContact CZ3-O 3.43Å
196S97.2Very high91.8Very high8 Ų813.5 Ų13.56%0.0568%0.08CC..Hα-helixtrans-62.8-39.1178.9-53.60000111.1Y177 S192 D193 V194 C199 M200Y177-S196 PolarHBondContact O-OG 3.28Å; S192-S196 PolarHBondContact O-N 3.37Å; S192-S196 VanDerWaalsContact O-N 3.14Å; S192-S196 PolarHBondContact O-OG 2.98Å; D193-S196 WeakPolarHBondContact O-CB 3.27Å; D193-S196 PolarHBondContact O-N 3.47Å; V194-S196 VanDerWaalsContact C-N 3.33Å; S196-C199 WeakPolarHBondContact O-CB 3.48Å; S196-C199 PolarHBondContact O-N 2.93Å; S196-M200 WeakPolarHBondContact O-CG 3.08Å; S196-M200 PolarHBondContact O-N 3.3Å
197L98.1Very high92.8Very high0 Ų013.1 Ų13.10%09%0.085CC..Hα-helixtrans-58.6-45.1169.4172.972.1000112.5M117 I120 V121 M124 D193 V194 W195 C199 M200 F201 L245 L256 V259M117-L197 HydrophobicContact CE-CD1 3.66Å; M117-L197 HydrophobicContact CE-CD2 4.3Å; M117-L197 HydrophobicContact CE-CG 3.87Å; M117-L197 HydrophobicContact SD-CD1 3.53Å; M117-L197 VanDerWaalsContact SD-CD1 3.53Å; M117-L197 HydrophobicContact SD-CG 4.32Å; I120-L197 HydrophobicContact CB-CD1 4.34Å; I120-L197 HydrophobicContact CG2-CD1 3.72Å; V121-L197 HydrophobicContact CG2-CD1 4.05Å; V121-L197 HydrophobicContact CG2-CD2 3.61Å; V121-L197 HydrophobicContact CG2-CG 4.47Å; M124-L197 HydrophobicContact CE-CB 3.85Å; M124-L197 HydrophobicContact CE-CD2 4.2Å; M124-L197 HydrophobicContact SD-CB 3.95Å; M124-L197 HydrophobicContact SD-CD1 3.94Å; M124-L197 HydrophobicContact SD-CD2 4.01Å; M124-L197 HydrophobicContact SD-CG 4.19Å; D193-L197 PolarHBondContact O-N 3.23Å; V194-L197 WeakPolarHBondContact O-CB 3.46Å; V194-L197 PolarHBondContact O-N 3.19Å; W195-L197 VanDerWaalsContact C-N 3.3Å; W195-L197 PolarHBondContact O-N 2.89Å; L197-C199 VanDerWaalsContact C-N 3.32Å; L197-C199 PolarHBondContact O-N 2.94Å; L197-M200 HydrophobicContact CD1-CE 4.5Å; L197-M200 PolarHBondContact O-N 3Å; L197-F201 PolarHBondContact O-N 2.64Å; L197-L245 HydrophobicContact CD2-CD2 4.08Å; L197-L245 HydrophobicContact CG-CD1 4.42Å; L197-L256 HydrophobicContact CD2-CD2 4.1Å; L197-V259 HydrophobicContact CD2-CG1 4.42Å
198G98Very high93.9Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-58.4-42173.900000113.1V194 W195 F201 Y202V194-G198 PolarHBondContact O-N 2.76Å; V194-G198 VanDerWaalsContact O-N 3.1Å; W195-G198 WeakPolarHBondContact O-CA 3.44Å; W195-G198 PolarHBondContact O-N 3.08Å; W195-G198 VanDerWaalsContact O-N 3.09Å; G198-F201 PolarHBondContact O-N 3.06Å; G198-Y202 PolarHBondContact O-N 2.92Å
199C98.1Very high94.9Very high0 Ų016.4 Ų16.40%09%0.092CC..Hα-helixtrans-64.9-38.1175.9-65.30000112.4Y177 W195 S196 L197 A203 P210Y177-C199 HydrophobicContact CD1-CB 3.57Å; Y177-C199 HydrophobicContact CE1-CB 4.17Å; Y177-C199 HydrophobicContact CG-CB 4.35Å; W195-C199 PolarHBondContact NE1-SG 3.2Å; W195-C199 VanDerWaalsContact NE1-SG 3.41Å; W195-C199 PolarHBondContact O-N 2.85Å; W195-C199 PolarHBondContact O-SG 2.82Å; W195-C199 VanDerWaalsContact O-SG 3.4Å; S196-C199 WeakPolarHBondContact O-CB 3.48Å; S196-C199 PolarHBondContact O-N 2.93Å; L197-C199 VanDerWaalsContact C-N 3.32Å; L197-C199 PolarHBondContact O-N 2.94Å; C199-A203 WeakPolarHBondContact O-CB 3.49Å; C199-A203 PolarHBondContact O-N 3.45Å; C199-A203 VanDerWaalsContact O-N 3.1Å; C199-P210 HydrophobicContact CB-CG 4.27Å
200M97.7Very high95.4Very high0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-69.1-40173.8-68.9-173-61.800112.4I120 L137 L139 L142 Y177 S196 L197 A203 F204I120-M200 HydrophobicContact CG2-CE 4.12Å; L137-M200 HydrophobicContact CB-CE 3.83Å; L137-M200 HydrophobicContact CB-SD 4.4Å; L139-M200 HydrophobicContact CD2-CB 3.91Å; L139-M200 HydrophobicContact CD2-CG 3.81Å; L139-M200 HydrophobicContact CD2-SD 4.18Å; L139-M200 HydrophobicContact CG-CG 4.33Å; L142-M200 HydrophobicContact CD1-CE 4.42Å; L142-M200 HydrophobicContact CD1-SD 3.68Å; L142-M200 HydrophobicContact CG-SD 4.12Å; Y177-M200 HydrophobicContact CD1-CG 3.88Å; Y177-M200 HydrophobicContact CE1-CG 3.69Å; S196-M200 WeakPolarHBondContact O-CG 3.08Å; S196-M200 PolarHBondContact O-N 3.3Å; L197-M200 HydrophobicContact CD1-CE 4.5Å; L197-M200 PolarHBondContact O-N 3Å; M200-A203 PolarHBondContact O-N 3.47Å; M200-F204 WeakPolarHBondContact O-CD2 3.49Å; M200-F204 WeakPolarHBondContact O-CG 3.39Å; M200-F204 PolarHBondContact O-N 2.82Å
201F98.1Very high95.8Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-62.5-48.1177.8-176.1-138.8000111.9A113 M117 L197 G198 A203 F204 L205 A238 L241 I242 L245 F264A113-F201 HydrophobicContact CB-CD2 4.48Å; A113-F201 HydrophobicContact CB-CE2 4.17Å; M117-F201 HydrophobicContact CE-CB 3.66Å; M117-F201 HydrophobicContact CE-CD1 4.24Å; M117-F201 HydrophobicContact CE-CD2 4.02Å; M117-F201 HydrophobicContact CE-CG 3.71Å; M117-F201 HydrophobicContact CG-CD2 3.62Å; M117-F201 HydrophobicContact CG-CE2 4.2Å; M117-F201 HydrophobicContact CG-CG 4.26Å; M117-F201 HydrophobicContact SD-CB 3.62Å; M117-F201 HydrophobicContact SD-CD2 3.88Å; M117-F201 HydrophobicContact SD-CG 3.93Å; L197-F201 PolarHBondContact O-N 2.64Å; G198-F201 PolarHBondContact O-N 3.06Å; F201-A203 VanDerWaalsContact C-N 3.3Å; F201-A203 PolarHBondContact O-N 2.7Å; F201-F204 WeakPolarHBondContact O-CB 3.39Å; F201-F204 PolarHBondContact O-N 3.03Å; F201-L205 HydrophobicContact CD2-CD1 4.47Å; F201-L205 HydrophobicContact CE1-CD1 4.45Å; F201-L205 HydrophobicContact CE2-CD1 3.84Å; F201-L205 HydrophobicContact CE2-CG 4.27Å; F201-L205 HydrophobicContact CZ-CD1 3.83Å; F201-L205 PolarHBondContact O-N 2.87Å; F201-A238 HydrophobicContact CZ-CB 4.15Å; F201-L241 HydrophobicContact CD1-CD2 4.28Å; F201-L241 HydrophobicContact CD1-CG 4.24Å; F201-L241 HydrophobicContact CE1-CB 3.98Å; F201-L241 HydrophobicContact CE1-CD2 3.82Å; F201-L241 HydrophobicContact CE1-CG 3.94Å; F201-L241 HydrophobicContact CZ-CD2 4.25Å; F201-I242 HydrophobicContact CD1-CD1 4.39Å; F201-I242 HydrophobicContact CD1-CG1 3.53Å; F201-I242 HydrophobicContact CE1-CD1 4.33Å; F201-I242 HydrophobicContact CE1-CG1 3.69Å; F201-L245 HydrophobicContact CD1-CD1 4.45Å; F201-F264 HydrophobicContact CE1-CE1 4.47Å; F201-F264 HydrophobicContact CE2-CD1 4.37Å; F201-F264 AromaticContact CE2-CE1 3.54Å; F201-F264 HydrophobicContact CE2-CE1 3.54Å; F201-F264 AromaticContact CE2-CZ 3.64Å; F201-F264 HydrophobicContact CE2-CZ 3.64Å; F201-F264 AromaticContact CZ-CD1 3.83Å; F201-F264 HydrophobicContact CZ-CD1 3.83Å; F201-F264 HydrophobicContact CZ-CD2 4.4Å; F201-F264 AromaticContact CZ-CE1 3.39Å; F201-F264 HydrophobicContact CZ-CE1 3.39Å; F201-F264 HydrophobicContact CZ-CE2 4.01Å; F201-F264 HydrophobicContact CZ-CG 4.33Å; F201-F264 AromaticContact CZ-CZ 3.51Å; F201-F264 HydrophobicContact CZ-CZ 3.51Å
202Y97.9Very high95.7Very high0 Ų014.7 Ų14.70%08%0.084CC..Hα-helixtrans-54.9-47.5171.8-174.7-78.2000111G198 F204 L205 M206 R208 P210 Y228 E229 I242G198-Y202 PolarHBondContact O-N 2.92Å; Y202-F204 VanDerWaalsContact C-N 3.3Å; Y202-F204 PolarHBondContact O-N 3.37Å; Y202-L205 PolarHBondContact O-N 3.31Å; Y202-M206 HydrophobicContact CD1-CB 3.94Å; Y202-M206 HydrophobicContact CD1-CG 3.84Å; Y202-M206 HydrophobicContact CE1-CB 3.71Å; Y202-M206 HydrophobicContact CE1-CG 3.53Å; Y202-M206 HydrophobicContact CE2-CG 4.28Å; Y202-M206 HydrophobicContact CG-CG 4.34Å; Y202-M206 VanDerWaalsContact O-CB 3.27Å; Y202-M206 WeakPolarHBondContact O-CB 3.34Å; Y202-M206 WeakPolarHBondContact O-CG 3.33Å; Y202-M206 PolarHBondContact O-N 2.69Å; Y202-R208 WeakPolarHBondContact CD1-O 3.49Å; Y202-P210 HydrophobicContact CD1-CB 3.71Å; Y202-P210 HydrophobicContact CD1-CG 4.08Å; Y202-P210 HydrophobicContact CD2-CB 3.94Å; Y202-P210 VanDerWaalsContact CE1-CA 3.44Å; Y202-P210 HydrophobicContact CE1-CB 3.85Å; Y202-P210 HydrophobicContact CE2-CB 4.06Å; Y202-P210 HydrophobicContact CG-CB 3.76Å; Y202-P210 HydrophobicContact CG-CG 4.04Å; Y202-Y228 HydrophobicContact CD2-CD2 4.29Å; Y202-Y228 AromaticContact CE2-CD2 3.85Å; Y202-Y228 HydrophobicContact CE2-CD2 3.85Å; Y202-Y228 HydrophobicContact CE2-CE2 4.37Å; Y202-E229 VanDerWaalsContact CE2-O 3.23Å; Y202-E229 WeakPolarHBondContact CE2-O 3.4Å; Y202-E229 PolarHBondContact OH-O 3.38Å; Y202-I242 HydrophobicContact CD2-CD1 4.25Å; Y202-I242 HydrophobicContact CD2-CG2 4.07Å
203A96.4Very high95.5Very high1 Ų116.2 Ų16.21%0.0089%0.093CC..Hα-helixtrans-65.5-28.1-179.300000113.9L139 C199 M200 F201 G207 R208L139-A203 HydrophobicContact CD1-CB 3.8Å; C199-A203 WeakPolarHBondContact O-CB 3.49Å; C199-A203 PolarHBondContact O-N 3.45Å; C199-A203 VanDerWaalsContact O-N 3.1Å; M200-A203 PolarHBondContact O-N 3.47Å; F201-A203 VanDerWaalsContact C-N 3.3Å; F201-A203 PolarHBondContact O-N 2.7Å; A203-G207 VanDerWaalsContact O-CA 3.29Å; A203-G207 WeakPolarHBondContact O-CA 3.43Å; A203-G207 PolarHBondContact O-N 3.09Å; A203-R208 WeakPolarHBondContact CA-O 3.42Å
204F96.9Very high95Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-64.9-44.5171.9-68.3-37.1000112.5M97 P107 F108 A113 F116 M117 I120 L139 L142 M200 F201 Y202M97-F204 HydrophobicContact CE-CE1 4.01Å; M97-F204 HydrophobicContact CE-CZ 4.41Å; M97-F204 HydrophobicContact CG-CE1 3.73Å; M97-F204 HydrophobicContact CG-CZ 4.45Å; M97-F204 HydrophobicContact SD-CE1 3.96Å; P107-F204 WeakPolarHBondContact CB-O 3.39Å; F108-F204 HydrophobicContact CB-CB 4.46Å; F108-F204 HydrophobicContact CD2-CB 3.92Å; F108-F204 AromaticContact CD2-CD1 3.61Å; F108-F204 HydrophobicContact CD2-CD1 3.61Å; F108-F204 HydrophobicContact CD2-CE1 4.45Å; F108-F204 HydrophobicContact CD2-CG 4.05Å; F108-F204 AromaticContact CE2-CD1 3.72Å; F108-F204 HydrophobicContact CE2-CD1 3.72Å; F108-F204 HydrophobicContact CE2-CE1 4.19Å; F108-F204 PolarHBondContact N-O 3.45Å; A113-F204 HydrophobicContact CB-CB 4.01Å; F116-F204 HydrophobicContact CB-CE2 4.13Å; F116-F204 HydrophobicContact CB-CZ 4.22Å; M117-F204 HydrophobicContact CG-CD2 4.42Å; M117-F204 HydrophobicContact CG-CE2 4.44Å; M117-F204 HydrophobicContact SD-CE2 4.32Å; I120-F204 HydrophobicContact CD1-CE2 3.66Å; I120-F204 HydrophobicContact CD1-CZ 3.71Å; L139-F204 HydrophobicContact CD2-CD1 4.09Å; L139-F204 HydrophobicContact CD2-CE1 3.41Å; L139-F204 VanDerWaalsContact CD2-CE1 3.41Å; L139-F204 HydrophobicContact CD2-CZ 3.8Å; L142-F204 HydrophobicContact CD1-CZ 4.19Å; M200-F204 WeakPolarHBondContact O-CD2 3.49Å; M200-F204 WeakPolarHBondContact O-CG 3.39Å; M200-F204 PolarHBondContact O-N 2.82Å; F201-F204 WeakPolarHBondContact O-CB 3.39Å; F201-F204 PolarHBondContact O-N 3.03Å; Y202-F204 VanDerWaalsContact C-N 3.3Å; Y202-F204 PolarHBondContact O-N 3.37Å
205L96.6Very high94.4Very high8 Ų826.6 Ų26.64%0.04215%0.151CC..Hα-helixtrans-80.1-27.1-178-59.9178.1000112.7P107 E110 A113 F201 Y202 V234 A238 I242P107-L205 WeakPolarHBondContact CB-O 3.33Å; E110-L205 HydrophobicContact CG-CD2 3.82Å; A113-L205 HydrophobicContact CB-CD2 3.71Å; A113-L205 HydrophobicContact CB-CG 4.39Å; F201-L205 HydrophobicContact CD2-CD1 4.47Å; F201-L205 HydrophobicContact CE1-CD1 4.45Å; F201-L205 HydrophobicContact CE2-CD1 3.84Å; F201-L205 HydrophobicContact CE2-CG 4.27Å; F201-L205 HydrophobicContact CZ-CD1 3.83Å; F201-L205 PolarHBondContact O-N 2.87Å; Y202-L205 PolarHBondContact O-N 3.31Å; L205-V234 HydrophobicContact CB-CG1 4.2Å; L205-V234 HydrophobicContact CD1-CB 4.39Å; L205-V234 HydrophobicContact CD1-CG1 4.16Å; L205-A238 HydrophobicContact CD1-CB 4.07Å; L205-I242 HydrophobicContact CD1-CD1 4.36Å
206M94.7Very high93.6Very high40 Ų4030.7 Ų30.720%0.19718%0.176CC..Hα-helixtrans-106.5-12.7-173.9-66.5-62.8-75.900115.1Y202 R208 P231 H233Y202-M206 HydrophobicContact CD1-CB 3.94Å; Y202-M206 HydrophobicContact CD1-CG 3.84Å; Y202-M206 HydrophobicContact CE1-CB 3.71Å; Y202-M206 HydrophobicContact CE1-CG 3.53Å; Y202-M206 HydrophobicContact CE2-CG 4.28Å; Y202-M206 HydrophobicContact CG-CG 4.34Å; Y202-M206 VanDerWaalsContact O-CB 3.27Å; Y202-M206 WeakPolarHBondContact O-CB 3.34Å; Y202-M206 WeakPolarHBondContact O-CG 3.33Å; Y202-M206 PolarHBondContact O-N 2.69Å; M206-R208 HydrophobicContact CB-CG 4.26Å; M206-R208 PolarHBondContact O-N 3.43Å; M206-P231 HydrophobicContact CE-CB 4.07Å; M206-P231 HydrophobicContact CG-CG 4.2Å; M206-P231 HydrophobicContact SD-CB 3.46Å; M206-P231 WeakPolarHBondContact SD-CB 3.34Å; M206-P231 HydrophobicContact SD-CG 3.78Å; M206-H233 PolarHBondContact SD-CE1 3.02Å
207G91.9Very high92.6Very high45 Ų4537.9 Ų37.946%0.46421%0.206SC..SBendtrans68.3-6.9-171.800000115A203A203-G207 VanDerWaalsContact O-CA 3.29Å; A203-G207 WeakPolarHBondContact O-CA 3.43Å; A203-G207 PolarHBondContact O-N 3.09Å
208R91.4Very high92Very high90 Ų9041.7 Ų41.734%0.3423%0.227SC..SBendtrans-134.8150.2178.965.4172.5176.5100.5-12.7111.7Y202 A203 M206 E229Y202-R208 WeakPolarHBondContact CD1-O 3.49Å; A203-R208 WeakPolarHBondContact CA-O 3.42Å; M206-R208 HydrophobicContact CB-CG 4.26Å; M206-R208 PolarHBondContact O-N 3.43Å; R208-E229 IonicContact CZ-OE2 3.72Å; R208-E229 IonicContact NH1-OE2 2.63Å; R208-E229 IonicContact NH2-OE2 2.78Å; R208-E229 PolarHBondContact NH2-OE2 3.24Å
209P93.8Very high91.5Very high15 Ų1541.9 Ų41.910%0.09723%0.227CC..  trans-64155.6172.6-19.832.7000113.1N176 F211 D212N176-P209 HydrophobicContact CB-CB 3.88Å; N176-P209 HydrophobicContact CB-CG 3.99Å; P209-F211 VanDerWaalsContact C-N 3.35Å; P209-F211 PolarHBondContact O-N 3.07Å; P209-D212 HydrophobicContact CB-CB 4.21Å; P209-D212 HydrophobicContact CG-CB 4.36Å
210P95.4Very high90.9Very high4 Ų444 Ų443%0.02624%0.239CC..THydrogen-bonded Turntrans-67.6-30.1-177.921.2-28.6000114.3C199 Y202 Y228 L246C199-P210 HydrophobicContact CB-CG 4.27Å; Y202-P210 HydrophobicContact CD1-CB 3.71Å; Y202-P210 HydrophobicContact CD1-CG 4.08Å; Y202-P210 HydrophobicContact CD2-CB 3.94Å; Y202-P210 VanDerWaalsContact CE1-CA 3.44Å; Y202-P210 HydrophobicContact CE1-CB 3.85Å; Y202-P210 HydrophobicContact CE2-CB 4.06Å; Y202-P210 HydrophobicContact CG-CB 3.76Å; Y202-P210 HydrophobicContact CG-CG 4.04Å; P210-Y228 HydrophobicContact CB-CD2 4.35Å; P210-Y228 HydrophobicContact CB-CG 4.15Å; P210-L246 HydrophobicContact CB-CD1 4.37Å; P210-L246 HydrophobicContact CG-CD1 4.18Å
211F95Very high90.3Very high0 Ų046.5 Ų46.50%026%0.256CS..THydrogen-bonded Turntrans-110.217.7-174.8-49.6-70.1000113.7W195 P209 T219 K222 V223 Y228 L246W195-F211 AromaticContact CE2-CE2 3.9Å; W195-F211 AromaticContact CH2-CE2 4Å; W195-F211 HydrophobicContact CH2-CE2 4Å; W195-F211 AromaticContact CH2-CZ 3.64Å; W195-F211 HydrophobicContact CH2-CZ 3.64Å; W195-F211 HydrophobicContact CZ2-CD2 4.22Å; W195-F211 HydrophobicContact CZ2-CE1 4.43Å; W195-F211 AromaticContact CZ2-CE2 3.26Å; W195-F211 HydrophobicContact CZ2-CE2 3.26Å; W195-F211 AromaticContact CZ2-CZ 3.39Å; W195-F211 HydrophobicContact CZ2-CZ 3.39Å; P209-F211 VanDerWaalsContact C-N 3.35Å; P209-F211 PolarHBondContact O-N 3.07Å; F211-T219 HydrophobicContact CB-CG2 4.4Å; F211-T219 WeakPolarHBondContact O-CA 3.45Å; F211-T219 WeakPolarHBondContact O-CB 3.24Å; F211-T219 WeakPolarHBondContact O-CG2 3.32Å; F211-T219 PolarHBondContact O-OG1 3.32Å; F211-K222 HydrophobicContact CB-CB 4.32Å; F211-K222 HydrophobicContact CD1-CB 4.02Å; F211-V223 HydrophobicContact CB-CG2 3.76Å; F211-V223 HydrophobicContact CD1-CG2 4.3Å; F211-V223 HydrophobicContact CD2-CG2 3.65Å; F211-V223 HydrophobicContact CE2-CG2 4.35Å; F211-V223 HydrophobicContact CG-CG2 3.63Å; F211-Y228 AromaticContact CE1-CD1 3.79Å; F211-Y228 HydrophobicContact CE1-CD1 3.79Å; F211-Y228 HydrophobicContact CE1-CG 4.17Å; F211-Y228 AromaticContact CZ-CD1 3.85Å; F211-Y228 HydrophobicContact CZ-CD1 3.85Å; F211-Y228 HydrophobicContact CZ-CG 4.37Å; F211-L246 HydrophobicContact CE2-CD2 4.43Å; F211-L246 HydrophobicContact CZ-CD1 4.46Å
212D90.2Very high90Very high80 Ų8049 Ų4943%0.42827%0.267SS..  trans-67.9131.5-175.4-16027.8000111.9N176 P209N176-D212 PolarHBondContact ND2-OD1 3.1Å; P209-D212 HydrophobicContact CB-CB 4.21Å; P209-D212 HydrophobicContact CG-CB 4.36Å
213T90.1Very high89.8Confident40 Ų4049 Ų4925%0.24527%0.267CS..  trans-153.7165.1-179.571.30000111.6T215 N218 T219 K222T213-T215 PolarHBondContact O-N 3.1Å; T213-T215 PolarHBondContact OG1-O 3.3Å; T213-N218 HydrophobicContact CG2-CB 4.29Å; T213-N218 WeakPolarHBondContact OG1-CB 3.49Å; T213-T219 PolarHBondContact N-OG1 3.42Å; T213-T219 PolarHBondContact OG1-N 3.45Å; T213-T219 PolarHBondContact OG1-OG1 3.22Å; T213-K222 HydrophobicContact CG2-CD 3.86Å
214D84.1Confident89.3Confident164 Ų16451.1 Ų51.188%0.87728%0.279SS*.SBendtrans-56.9-18179.3-49.5-51.3000115.2
215T83.2Confident89Confident64 Ų6456.3 Ų56.339%0.39331%0.307SS..SBendtrans-142138.4-179.674.60000113T213 K217 N218 T219T213-T215 PolarHBondContact O-N 3.1Å; T213-T215 PolarHBondContact OG1-O 3.3Å; T215-K217 PolarHBondContact O-N 3.38Å; T215-N218 PolarHBondContact O-N 3.16Å; T215-N218 VanDerWaalsContact OG1-CG 3.22Å; T215-N218 PolarHBondContact OG1-N 3.01Å; T215-N218 PolarHBondContact OG1-OD1 2.74Å; T215-T219 PolarHBondContact O-N 3.46Å
216V81.6Confident88.6Confident85 Ų8557 Ų5752%0.51532%0.316SS..Hα-helixtrans-51.2-34.2174.9176.20000112.5P175 L220P175-V216 HydrophobicContact CB-CG1 3.99Å; P175-V216 HydrophobicContact CG-CG1 3.85Å; P175-V216 HydrophobicContact CG-CG2 4.35Å; V216-L220 HydrophobicContact CG1-CD1 3.86Å; V216-L220 HydrophobicContact CG1-CG 4.24Å; V216-L220 WeakPolarHBondContact O-CB 3.28Å; V216-L220 VanDerWaalsContact O-CG 3.23Å; V216-L220 WeakPolarHBondContact O-CG 3.34Å; V216-L220 PolarHBondContact O-N 3.4Å
217K76.3Confident88.5Confident159 Ų15958.7 Ų58.769%0.69133%0.326SS*.Hα-helixtrans-64.4-44.3176-171.5-168.6173.3-167.40111.9T215 S221T215-K217 PolarHBondContact O-N 3.38Å; K217-S221 WeakPolarHBondContact O-CB 3.15Å; K217-S221 PolarHBondContact O-N 3.36Å; K217-S221 PolarHBondContact O-OG 2.88Å
218N85.1Confident88.7Confident81 Ų8158.4 Ų58.443%0.43331%0.311SS..Hα-helixtrans-70.8-42.1-178.3-67.91000110.7T213 T215 S221 K222T213-N218 HydrophobicContact CG2-CB 4.29Å; T213-N218 WeakPolarHBondContact OG1-CB 3.49Å; T215-N218 PolarHBondContact O-N 3.16Å; T215-N218 VanDerWaalsContact OG1-CG 3.22Å; T215-N218 PolarHBondContact OG1-N 3.01Å; T215-N218 PolarHBondContact OG1-OD1 2.74Å; N218-S221 WeakPolarHBondContact O-CB 3.37Å; N218-S221 PolarHBondContact O-N 3.41Å; N218-S221 VanDerWaalsContact O-N 3.13Å; N218-K222 PolarHBondContact O-N 2.79Å
219T87.1Confident88.8Confident3 Ų359.7 Ų59.72%0.01832%0.321CS..Hα-helixtrans-55.3-52.4170.7-73.20000111.8P175 N176 F211 T213 T215 S221 K222 V223P175-T219 HydrophobicContact CB-CG2 4.25Å; P175-T219 VanDerWaalsContact O-CG2 3.23Å; P175-T219 WeakPolarHBondContact O-CG2 3.49Å; N176-T219 WeakPolarHBondContact OD1-CG2 3.37Å; F211-T219 HydrophobicContact CB-CG2 4.4Å; F211-T219 WeakPolarHBondContact O-CA 3.45Å; F211-T219 WeakPolarHBondContact O-CB 3.24Å; F211-T219 WeakPolarHBondContact O-CG2 3.32Å; F211-T219 PolarHBondContact O-OG1 3.32Å; T213-T219 PolarHBondContact N-OG1 3.42Å; T213-T219 PolarHBondContact OG1-N 3.45Å; T213-T219 PolarHBondContact OG1-OG1 3.22Å; T215-T219 PolarHBondContact O-N 3.46Å; T219-S221 PolarHBondContact O-N 2.74Å; T219-K222 PolarHBondContact O-N 3.19Å; T219-K222 VanDerWaalsContact O-N 3.16Å; T219-V223 WeakPolarHBondContact O-CG2 3.33Å; T219-V223 PolarHBondContact O-N 2.94Å
220L84.5Confident88.9Confident46 Ų4661.9 Ų61.924%0.24133%0.33CS..Hα-helixtrans-62.1-32.2176.9-71.3173.8000112.4I178 A183 V216 V224I178-L220 HydrophobicContact CG2-CD2 3.61Å; A183-L220 HydrophobicContact CB-CD2 4.08Å; V216-L220 HydrophobicContact CG1-CD1 3.86Å; V216-L220 HydrophobicContact CG1-CG 4.24Å; V216-L220 WeakPolarHBondContact O-CB 3.28Å; V216-L220 VanDerWaalsContact O-CG 3.23Å; V216-L220 WeakPolarHBondContact O-CG 3.34Å; V216-L220 PolarHBondContact O-N 3.4Å; L220-V224 WeakPolarHBondContact O-CB 3.3Å; L220-V224 VanDerWaalsContact O-CG2 3.27Å; L220-V224 WeakPolarHBondContact O-CG2 3.34Å; L220-V224 PolarHBondContact O-N 3.46Å
221S86.9Confident88.6Confident51 Ų5162 Ų6236%0.35733%0.331SS..Hα-helixtrans-67.6-44.8174.7-550000111.2K217 N218 T219 V224 L225K217-S221 WeakPolarHBondContact O-CB 3.15Å; K217-S221 PolarHBondContact O-N 3.36Å; K217-S221 PolarHBondContact O-OG 2.88Å; N218-S221 WeakPolarHBondContact O-CB 3.37Å; N218-S221 PolarHBondContact O-N 3.41Å; N218-S221 VanDerWaalsContact O-N 3.13Å; T219-S221 PolarHBondContact O-N 2.74Å; S221-V224 PolarHBondContact O-N 3.22Å; S221-L225 WeakPolarHBondContact O-CB 3.5Å; S221-L225 VanDerWaalsContact O-CG 3.26Å; S221-L225 WeakPolarHBondContact O-CG 3.43Å; S221-L225 PolarHBondContact O-N 3.07Å
222K91.3Very high88.4Confident52 Ų5267.4 Ų67.423%0.22637%0.369CS..Hα-helixtrans-60.5-46.6173.4-85-170.3159.1-71.90112.1F211 T213 N218 T219 V224 L225 G226 D227F211-K222 HydrophobicContact CB-CB 4.32Å; F211-K222 HydrophobicContact CD1-CB 4.02Å; T213-K222 HydrophobicContact CG2-CD 3.86Å; N218-K222 PolarHBondContact O-N 2.79Å; T219-K222 PolarHBondContact O-N 3.19Å; T219-K222 VanDerWaalsContact O-N 3.16Å; K222-V224 PolarHBondContact O-N 2.73Å; K222-L225 CarbonylContact O-C 2.99Å; K222-L225 PolarHBondContact O-N 3.47Å; K222-G226 PolarHBondContact O-N 3.44Å; K222-D227 HydrophobicContact CB-CB 4.47Å; K222-D227 WeakPolarHBondContact CD-O 3.01Å; K222-D227 HydrophobicContact CG-CB 4.24Å; K222-D227 PolarHBondContact NZ-O 2.69Å; K222-D227 IonicContact NZ-OD1 2.78Å; K222-D227 PolarHBondContact NZ-OD1 2.9Å; K222-D227 VanDerWaalsContact NZ-OD1 3.15Å; K222-D227 IonicContact NZ-OD2 3.51Å; K222-D227 PolarHBondContact NZ-OD2 3.05Å; K222-D227 PolarHBondContact O-N 3.34Å
223V92.3Very high88.5Confident0 Ų070 Ų700%038%0.378CS..Hα-helixtrans-54.6-52.3174.5166.60000110.9I178 P180 A183 W195 F211 T219 L225 G226I178-V223 HydrophobicContact CG2-CG1 4.39Å; I178-V223 WeakPolarHBondContact O-CG1 3.46Å; P180-V223 HydrophobicContact CG-CG1 4.23Å; P180-V223 WeakPolarHBondContact CG-O 3.48Å; A183-V223 HydrophobicContact CB-CG1 4.15Å; W195-V223 HydrophobicContact CZ2-CG1 4.09Å; F211-V223 HydrophobicContact CB-CG2 3.76Å; F211-V223 HydrophobicContact CD1-CG2 4.3Å; F211-V223 HydrophobicContact CD2-CG2 3.65Å; F211-V223 HydrophobicContact CE2-CG2 4.35Å; F211-V223 HydrophobicContact CG-CG2 3.63Å; T219-V223 WeakPolarHBondContact O-CG2 3.33Å; T219-V223 PolarHBondContact O-N 2.94Å; V223-L225 VanDerWaalsContact C-N 3.27Å; V223-L225 PolarHBondContact O-N 3.3Å; V223-G226 PolarHBondContact O-N 2.95Å; V223-G226 VanDerWaalsContact O-N 3.13Å
224V87.7Confident88.7Confident46 Ų4668.8 Ų68.828%0.27937%0.371SS..Hα-helixtrans-65.6-29.8-179171.20000112.5A183 T184 L220 S221 K222 R248A183-V224 HydrophobicContact CB-CG2 3.74Å; T184-V224 HydrophobicContact CG2-CG1 3.97Å; T184-V224 HydrophobicContact CG2-CG2 3.91Å; L220-V224 WeakPolarHBondContact O-CB 3.3Å; L220-V224 VanDerWaalsContact O-CG2 3.27Å; L220-V224 WeakPolarHBondContact O-CG2 3.34Å; L220-V224 PolarHBondContact O-N 3.46Å; S221-V224 PolarHBondContact O-N 3.22Å; K222-V224 PolarHBondContact O-N 2.73Å; V224-R248 PolarHBondContact O-NE 3.32Å; V224-R248 PolarHBondContact O-NH2 3.26Å; V224-R248 VanDerWaalsContact O-NH2 3.1Å
225L88.9Confident89.3Confident110 Ų11062.2 Ų62.258%0.57634%0.338SS*.Hα-helixtrans-80.5-22.1174.2-70.7172.6000113.8S221 K222 V223 D227 R248S221-L225 WeakPolarHBondContact O-CB 3.5Å; S221-L225 VanDerWaalsContact O-CG 3.26Å; S221-L225 WeakPolarHBondContact O-CG 3.43Å; S221-L225 PolarHBondContact O-N 3.07Å; K222-L225 CarbonylContact O-C 2.99Å; K222-L225 PolarHBondContact O-N 3.47Å; V223-L225 VanDerWaalsContact C-N 3.27Å; V223-L225 PolarHBondContact O-N 3.3Å; L225-D227 HydrophobicContact CB-CB 4.05Å; L225-R248 VanDerWaalsContact O-CD 3.31Å; L225-R248 WeakPolarHBondContact O-CD 3.42Å; L225-R248 PolarHBondContact O-NH1 3.44Å
226G89.8Confident90Very high22 Ų2265.5 Ų65.523%0.22735%0.352CS..THydrogen-bonded Turntrans76.122.5-168.600000113.7K222 V223 Y228K222-G226 PolarHBondContact O-N 3.44Å; V223-G226 PolarHBondContact O-N 2.95Å; V223-G226 VanDerWaalsContact O-N 3.13Å; G226-Y228 PolarHBondContact O-N 3.11Å
227D92.3Very high90.7Very high76 Ų7664.8 Ų64.841%0.40634%0.343SS..  trans-91.292.6-168170.628.4000112.6K222 L225K222-D227 HydrophobicContact CB-CB 4.47Å; K222-D227 WeakPolarHBondContact CD-O 3.01Å; K222-D227 HydrophobicContact CG-CB 4.24Å; K222-D227 PolarHBondContact NZ-O 2.69Å; K222-D227 IonicContact NZ-OD1 2.78Å; K222-D227 PolarHBondContact NZ-OD1 2.9Å; K222-D227 VanDerWaalsContact NZ-OD1 3.15Å; K222-D227 IonicContact NZ-OD2 3.51Å; K222-D227 PolarHBondContact NZ-OD2 3.05Å; K222-D227 PolarHBondContact O-N 3.34Å; L225-D227 HydrophobicContact CB-CB 4.05Å
228Y94.8Very high91.7Very high38 Ų3857.2 Ų57.215%0.14931%0.31CS..  trans-132.6158.3172.271.3-83.7000112.2Y202 P210 F211 G226 M230 I242 L246Y202-Y228 HydrophobicContact CD2-CD2 4.29Å; Y202-Y228 AromaticContact CE2-CD2 3.85Å; Y202-Y228 HydrophobicContact CE2-CD2 3.85Å; Y202-Y228 HydrophobicContact CE2-CE2 4.37Å; P210-Y228 HydrophobicContact CB-CD2 4.35Å; P210-Y228 HydrophobicContact CB-CG 4.15Å; F211-Y228 AromaticContact CE1-CD1 3.79Å; F211-Y228 HydrophobicContact CE1-CD1 3.79Å; F211-Y228 HydrophobicContact CE1-CG 4.17Å; F211-Y228 AromaticContact CZ-CD1 3.85Å; F211-Y228 HydrophobicContact CZ-CD1 3.85Å; F211-Y228 HydrophobicContact CZ-CG 4.37Å; G226-Y228 PolarHBondContact O-N 3.11Å; Y228-M230 HydrophobicContact CE2-CE 3.9Å; Y228-M230 HydrophobicContact CE2-SD 4.25Å; Y228-M230 WeakPolarHBondContact OH-CE 3.39Å; Y228-I242 HydrophobicContact CE2-CG2 3.77Å; Y228-L246 HydrophobicContact CD1-CD1 4.19Å; Y228-L246 HydrophobicContact CD2-CD1 4.41Å; Y228-L246 HydrophobicContact CE1-CB 3.91Å; Y228-L246 HydrophobicContact CE1-CD1 3.86Å; Y228-L246 HydrophobicContact CE2-CD1 4.11Å; Y228-L246 HydrophobicContact CG-CD1 4.45Å
229E94Very high92.3Very high117 Ų11755.4 Ų55.455%0.54730%0.299SS..PPolyproline II helixtrans-90.2117.4178.3-62164.5152.100109.9Y202 R208Y202-E229 VanDerWaalsContact CE2-O 3.23Å; Y202-E229 WeakPolarHBondContact CE2-O 3.4Å; Y202-E229 PolarHBondContact OH-O 3.38Å; R208-E229 IonicContact CZ-OE2 3.72Å; R208-E229 IonicContact NH1-OE2 2.63Å; R208-E229 IonicContact NH2-OE2 2.78Å; R208-E229 PolarHBondContact NH2-OE2 3.24Å
230M95.7Very high92.8Very high62 Ų6258.6 Ų58.631%0.30532%0.316SS..PPolyproline II helixtrans-73.4126.7173.2-171.765.380.300110.3Y228 S232 Q239 I242 H243Y228-M230 HydrophobicContact CE2-CE 3.9Å; Y228-M230 HydrophobicContact CE2-SD 4.25Å; Y228-M230 WeakPolarHBondContact OH-CE 3.39Å; M230-S232 PolarHBondContact O-N 2.87Å; M230-Q239 HydrophobicContact CE-CB 4.3Å; M230-Q239 WeakPolarHBondContact CE-O 3.35Å; M230-Q239 HydrophobicContact CG-CB 4.05Å; M230-Q239 HydrophobicContact CG-CG 3.84Å; M230-Q239 HydrophobicContact SD-CB 3.81Å; M230-Q239 HydrophobicContact SD-CG 3.91Å; M230-I242 HydrophobicContact CE-CB 4.13Å; M230-I242 HydrophobicContact CE-CG2 3.88Å; M230-I242 HydrophobicContact SD-CB 4.16Å; M230-I242 HydrophobicContact SD-CD1 4.33Å; M230-I242 HydrophobicContact SD-CG2 3.94Å; M230-H243 HydrophobicContact CE-CB 4Å
231P89.6Confident93.5Very high7 Ų756.4 Ų56.45%0.04531%0.305CS..PPolyproline II helixtrans-70.212517724.4-32.5000113M206 H233 V234 Q239M206-P231 HydrophobicContact CE-CB 4.07Å; M206-P231 HydrophobicContact CG-CG 4.2Å; M206-P231 HydrophobicContact SD-CB 3.46Å; M206-P231 WeakPolarHBondContact SD-CB 3.34Å; M206-P231 HydrophobicContact SD-CG 3.78Å; P231-H233 VanDerWaalsContact C-N 3.26Å; P231-H233 PolarHBondContact O-N 2.82Å; P231-V234 HydrophobicContact CB-CG1 4.29Å; P231-V234 HydrophobicContact CB-CG2 4.4Å; P231-V234 HydrophobicContact CG-CG1 4.19Å; P231-V234 HydrophobicContact CG-CG2 3.84Å; P231-Q239 PolarHBondContact O-NE2 3.13Å
232S91.7Very high94Very high113 Ų11354 Ų5479%0.7929%0.288SS*.THydrogen-bonded Turntrans-77.6-4.2176.853.40000114.9M230M230-S232 PolarHBondContact O-N 2.87Å
233H91.8Very high94.3Very high134 Ų13456.2 Ų56.262%0.6230%0.299SS*.THydrogen-bonded Turntrans-106.32.1-174.465.1-99.8000114.3M206 P231M206-H233 PolarHBondContact SD-CE1 3.02Å; P231-H233 VanDerWaalsContact C-N 3.26Å; P231-H233 PolarHBondContact O-N 2.82Å
234V94.9Very high94.5Very high14 Ų1458.6 Ų58.69%0.08531%0.31CS..SBendtrans-105.6159.4173-50.20000109.9E110 L205 P231 A238 Q239E110-V234 WeakPolarHBondContact OE1-CA 3.45Å; E110-V234 WeakPolarHBondContact OE1-CB 3.23Å; L205-V234 HydrophobicContact CB-CG1 4.2Å; L205-V234 HydrophobicContact CD1-CB 4.39Å; L205-V234 HydrophobicContact CD1-CG1 4.16Å; P231-V234 HydrophobicContact CB-CG1 4.29Å; P231-V234 HydrophobicContact CB-CG2 4.4Å; P231-V234 HydrophobicContact CG-CG1 4.19Å; P231-V234 HydrophobicContact CG-CG2 3.84Å; V234-A238 HydrophobicContact CB-CB 4.2Å; V234-A238 HydrophobicContact CG2-CB 3.92Å; V234-Q239 HydrophobicContact CG2-CG 3.65Å; V234-Q239 PolarHBondContact O-NE2 2.9Å
235S96.4Very high95Very high27 Ų2756.4 Ų56.419%0.18930%0.297CS..  trans-55153.7-178.965.60000113.1E110 E237 A238 Q239E110-S235 PolarHBondContact OE1-N 2.93Å; E110-S235 PolarHBondContact OE1-OG 3.43Å; E110-S235 VanDerWaalsContact OE2-CB 3.23Å; E110-S235 WeakPolarHBondContact OE2-CB 3.33Å; E110-S235 PolarHBondContact OE2-OG 2.97Å; S235-E237 PolarHBondContact O-N 2.77Å; S235-A238 WeakPolarHBondContact O-CB 3.35Å; S235-A238 PolarHBondContact O-N 2.84Å; S235-A238 VanDerWaalsContact O-N 3.11Å; S235-A238 VanDerWaalsContact OG-CB 3.3Å; S235-A238 WeakPolarHBondContact OG-CB 3.38Å; S235-A238 PolarHBondContact OG-N 2.95Å; S235-A238 VanDerWaalsContact OG-N 3.13Å; S235-Q239 WeakPolarHBondContact O-CG 3.18Å; S235-Q239 PolarHBondContact O-N 3.02Å
236L96.6Very high95.4Very high133 Ų13351.6 Ų51.670%0.69627%0.271SS*.Hα-helixtrans-61.8-34.5177.6-64.8177.6000110.8Q239 D240L236-Q239 PolarHBondContact O-N 3.08Å; L236-D240 VanDerWaalsContact O-CB 3.31Å; L236-D240 WeakPolarHBondContact O-CB 3.35Å; L236-D240 PolarHBondContact O-N 3.04Å
237E96.8Very high95.8Very high69 Ų6952.6 Ų52.632%0.32227%0.27SS..Hα-helixtrans-68.7-32.7175.7-58.494.4139.500112.7S235 L241 H262 P263 F264 Q267S235-E237 PolarHBondContact O-N 2.77Å; E237-L241 WeakPolarHBondContact O-CB 3.49Å; E237-L241 PolarHBondContact O-N 3.42Å; E237-L241 VanDerWaalsContact O-N 3.11Å; E237-H262 PolarHBondContact O-CE1 3.28Å; E237-P263 HydrophobicContact CG-CB 4.18Å; E237-F264 HydrophobicContact CB-CB 3.95Å; E237-Q267 PolarHBondContact OE1-NE2 2.8Å
238A97.3Very high95.8Very high0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-70.1-43170.600000111.5F201 L205 V234 S235 L241 I242 F264F201-A238 HydrophobicContact CZ-CB 4.15Å; L205-A238 HydrophobicContact CD1-CB 4.07Å; V234-A238 HydrophobicContact CB-CB 4.2Å; V234-A238 HydrophobicContact CG2-CB 3.92Å; S235-A238 WeakPolarHBondContact O-CB 3.35Å; S235-A238 PolarHBondContact O-N 2.84Å; S235-A238 VanDerWaalsContact O-N 3.11Å; S235-A238 VanDerWaalsContact OG-CB 3.3Å; S235-A238 WeakPolarHBondContact OG-CB 3.38Å; S235-A238 PolarHBondContact OG-N 2.95Å; S235-A238 VanDerWaalsContact OG-N 3.13Å; A238-L241 PolarHBondContact O-N 3.03Å; A238-I242 VanDerWaalsContact O-CG1 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.49Å; A238-I242 PolarHBondContact O-N 2.9Å; A238-F264 HydrophobicContact CB-CD2 3.8Å; A238-F264 HydrophobicContact CB-CE2 3.8Å
239Q97.9Very high95.7Very high44 Ų4457.4 Ų57.421%0.20629%0.288CS..Hα-helixtrans-61.8-43.3176-65.317850.500111.7M230 P231 V234 S235 L236 I242 H243M230-Q239 HydrophobicContact CE-CB 4.3Å; M230-Q239 WeakPolarHBondContact CE-O 3.35Å; M230-Q239 HydrophobicContact CG-CB 4.05Å; M230-Q239 HydrophobicContact CG-CG 3.84Å; M230-Q239 HydrophobicContact SD-CB 3.81Å; M230-Q239 HydrophobicContact SD-CG 3.91Å; P231-Q239 PolarHBondContact O-NE2 3.13Å; V234-Q239 HydrophobicContact CG2-CG 3.65Å; V234-Q239 PolarHBondContact O-NE2 2.9Å; S235-Q239 WeakPolarHBondContact O-CG 3.18Å; S235-Q239 PolarHBondContact O-N 3.02Å; L236-Q239 PolarHBondContact O-N 3.08Å; Q239-I242 PolarHBondContact O-N 3.22Å; Q239-H243 WeakPolarHBondContact O-CB 3.37Å; Q239-H243 PolarHBondContact O-N 2.87Å
240D97.8Very high95.6Very high69 Ų6953.1 Ų53.137%0.36927%0.271SS..Hα-helixtrans-61.5-47.8176.1-176.926.3000111.7L236 I242 H243 Q244 H262L236-D240 VanDerWaalsContact O-CB 3.31Å; L236-D240 WeakPolarHBondContact O-CB 3.35Å; L236-D240 PolarHBondContact O-N 3.04Å; D240-I242 PolarHBondContact O-N 3.1Å; D240-H243 WeakPolarHBondContact O-CB 3.36Å; D240-H243 PolarHBondContact O-N 3.4Å; D240-Q244 WeakPolarHBondContact O-CG 3.23Å; D240-Q244 PolarHBondContact O-N 2.92Å; D240-Q244 PolarHBondContact OD1-NE2 3.49Å; D240-Q244 PolarHBondContact OD2-NE2 3.03Å; D240-Q244 VanDerWaalsContact OD2-NE2 3.09Å; D240-H262 IonicContact OD2-CE1 2.71Å; D240-H262 IonicContact OD2-NE2 2.59Å; D240-H262 PolarHBondContact OD2-NE2 3.31Å
241L98.1Very high95.4Very high0 Ų054.1 Ų54.10%029%0.289CS..Hα-helixtrans-63.1-39.3177-176.856.5000112.5F201 E237 A238 H243 Q244 L245 V259 H262 F264 M265F201-L241 HydrophobicContact CD1-CD2 4.28Å; F201-L241 HydrophobicContact CD1-CG 4.24Å; F201-L241 HydrophobicContact CE1-CB 3.98Å; F201-L241 HydrophobicContact CE1-CD2 3.82Å; F201-L241 HydrophobicContact CE1-CG 3.94Å; F201-L241 HydrophobicContact CZ-CD2 4.25Å; E237-L241 WeakPolarHBondContact O-CB 3.49Å; E237-L241 PolarHBondContact O-N 3.42Å; E237-L241 VanDerWaalsContact O-N 3.11Å; A238-L241 PolarHBondContact O-N 3.03Å; L241-H243 VanDerWaalsContact C-N 3.33Å; L241-Q244 PolarHBondContact O-N 3.03Å; L241-L245 HydrophobicContact CD1-CD1 3.93Å; L241-L245 HydrophobicContact CD1-CG 4.04Å; L241-L245 HydrophobicContact CG-CD1 3.92Å; L241-L245 HydrophobicContact CG-CG 4.46Å; L241-L245 WeakPolarHBondContact O-CB 3.4Å; L241-L245 VanDerWaalsContact O-CG 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.22Å; L241-L245 PolarHBondContact O-N 3.4Å; L241-V259 HydrophobicContact CD1-CG1 4.34Å; L241-H262 HydrophobicContact CD1-CB 4.35Å; L241-F264 HydrophobicContact CD2-CB 4.19Å; L241-F264 HydrophobicContact CD2-CD1 3.64Å; L241-F264 HydrophobicContact CD2-CE1 4.47Å; L241-F264 HydrophobicContact CD2-CG 4.2Å; L241-M265 HydrophobicContact CD2-CG 4.27Å; L241-M265 HydrophobicContact CD2-SD 4.39Å
242I98.3Very high95.6Very high0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-59.9-45.4171.9-69.8166.7000110.1F201 Y202 L205 Y228 M230 A238 Q239 D240 L245 L246F201-I242 HydrophobicContact CD1-CD1 4.39Å; F201-I242 HydrophobicContact CD1-CG1 3.53Å; F201-I242 HydrophobicContact CE1-CD1 4.33Å; F201-I242 HydrophobicContact CE1-CG1 3.69Å; Y202-I242 HydrophobicContact CD2-CD1 4.25Å; Y202-I242 HydrophobicContact CD2-CG2 4.07Å; L205-I242 HydrophobicContact CD1-CD1 4.36Å; Y228-I242 HydrophobicContact CE2-CG2 3.77Å; M230-I242 HydrophobicContact CE-CB 4.13Å; M230-I242 HydrophobicContact CE-CG2 3.88Å; M230-I242 HydrophobicContact SD-CB 4.16Å; M230-I242 HydrophobicContact SD-CD1 4.33Å; M230-I242 HydrophobicContact SD-CG2 3.94Å; A238-I242 VanDerWaalsContact O-CG1 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.49Å; A238-I242 PolarHBondContact O-N 2.9Å; Q239-I242 PolarHBondContact O-N 3.22Å; D240-I242 PolarHBondContact O-N 3.1Å; I242-L245 PolarHBondContact O-N 3.35Å; I242-L246 HydrophobicContact CG2-CD1 3.84Å; I242-L246 HydrophobicContact CG2-CG 4.46Å; I242-L246 WeakPolarHBondContact O-CB 3.27Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.2Å
243H97.3Very high95.9Very high100 Ų10054.8 Ų54.846%0.46328%0.281SS..Hα-helixtrans-64.6-40.6-179.1-171.273000112.8M230 Q239 D240 L241 Q247M230-H243 HydrophobicContact CE-CB 4Å; Q239-H243 WeakPolarHBondContact O-CB 3.37Å; Q239-H243 PolarHBondContact O-N 2.87Å; D240-H243 WeakPolarHBondContact O-CB 3.36Å; D240-H243 PolarHBondContact O-N 3.4Å; L241-H243 VanDerWaalsContact C-N 3.33Å; H243-Q247 PolarHBondContact CD2-NE2 3.25Å; H243-Q247 VanDerWaalsContact CD2-NE2 3.28Å; H243-Q247 PolarHBondContact NE2-NE2 3.05Å; H243-Q247 PolarHBondContact O-NE2 2.89Å
244Q97.9Very high96.1Very high50 Ų5049.2 Ų49.223%0.23426%0.257CS..Hα-helixtrans-68.1-40.8176.4-68.4174.534.700112.3D240 L241 Q247 P254 H262D240-Q244 WeakPolarHBondContact O-CG 3.23Å; D240-Q244 PolarHBondContact O-N 2.92Å; D240-Q244 PolarHBondContact OD1-NE2 3.49Å; D240-Q244 PolarHBondContact OD2-NE2 3.03Å; D240-Q244 VanDerWaalsContact OD2-NE2 3.09Å; L241-Q244 PolarHBondContact O-N 3.03Å; Q244-Q247 WeakPolarHBondContact O-CG 3.36Å; Q244-P254 HydrophobicContact CB-CG 4.08Å; Q244-P254 WeakPolarHBondContact O-CD 3.47Å; Q244-H262 PolarHBondContact NE2-NE2 2.96Å
245L98Very high96.1Very high0 Ų051.5 Ų51.50%027%0.273CS..Hα-helixtrans-71.3-35.9178.8-69.2170.9000112.8M117 V194 L197 F201 L241 I242 Q247 P254 V259M117-L245 HydrophobicContact CE-CD1 4.11Å; V194-L245 HydrophobicContact CG1-CD2 3.51Å; L197-L245 HydrophobicContact CD2-CD2 4.08Å; L197-L245 HydrophobicContact CG-CD1 4.42Å; F201-L245 HydrophobicContact CD1-CD1 4.45Å; L241-L245 HydrophobicContact CD1-CD1 3.93Å; L241-L245 HydrophobicContact CD1-CG 4.04Å; L241-L245 HydrophobicContact CG-CD1 3.92Å; L241-L245 HydrophobicContact CG-CG 4.46Å; L241-L245 WeakPolarHBondContact O-CB 3.4Å; L241-L245 VanDerWaalsContact O-CG 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.22Å; L241-L245 PolarHBondContact O-N 3.4Å; I242-L245 PolarHBondContact O-N 3.35Å; L245-Q247 VanDerWaalsContact C-N 3.32Å; L245-Q247 PolarHBondContact O-N 2.93Å; L245-P254 HydrophobicContact CD2-CG 4.1Å; L245-V259 HydrophobicContact CD2-CG2 3.8Å
246L97.6Very high96.1Very high8 Ų850.7 Ų50.74%0.04227%0.267CS..THydrogen-bonded Turntrans-9330.9-178.9-61-177.6000113.6W195 P210 F211 Y228 I242W195-L246 HydrophobicContact CD2-CD2 3.92Å; W195-L246 HydrophobicContact CE3-CB 4.43Å; W195-L246 HydrophobicContact CE3-CD2 4.09Å; W195-L246 HydrophobicContact CG-CD2 4.38Å; W195-L246 HydrophobicContact CZ2-CD2 4.44Å; W195-L246 HydrophobicContact CZ3-CB 4.22Å; W195-L246 HydrophobicContact CZ3-CD2 4.44Å; W195-L246 VanDerWaalsContact CZ3-O 3.24Å; W195-L246 WeakPolarHBondContact CZ3-O 3.29Å; P210-L246 HydrophobicContact CB-CD1 4.37Å; P210-L246 HydrophobicContact CG-CD1 4.18Å; F211-L246 HydrophobicContact CE2-CD2 4.43Å; F211-L246 HydrophobicContact CZ-CD1 4.46Å; Y228-L246 HydrophobicContact CD1-CD1 4.19Å; Y228-L246 HydrophobicContact CD2-CD1 4.41Å; Y228-L246 HydrophobicContact CE1-CB 3.91Å; Y228-L246 HydrophobicContact CE1-CD1 3.86Å; Y228-L246 HydrophobicContact CE2-CD1 4.11Å; Y228-L246 HydrophobicContact CG-CD1 4.45Å; I242-L246 HydrophobicContact CG2-CD1 3.84Å; I242-L246 HydrophobicContact CG2-CG 4.46Å; I242-L246 WeakPolarHBondContact O-CB 3.27Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.2Å
247Q96.4Very high96Very high43 Ų4347.2 Ų47.220%0.20125%0.254CS..  trans-67.8134.5169.9-71.3-59.7-34.900111.7W195 H243 Q244 L245 L252 R253W195-Q247 WeakPolarHBondContact CZ3-O 3.43Å; H243-Q247 PolarHBondContact CD2-NE2 3.25Å; H243-Q247 VanDerWaalsContact CD2-NE2 3.28Å; H243-Q247 PolarHBondContact NE2-NE2 3.05Å; H243-Q247 PolarHBondContact O-NE2 2.89Å; Q244-Q247 WeakPolarHBondContact O-CG 3.36Å; L245-Q247 VanDerWaalsContact C-N 3.32Å; L245-Q247 PolarHBondContact O-N 2.93Å; Q247-L252 HydrophobicContact CB-CB 4.01Å; Q247-L252 HydrophobicContact CG-CB 4.09Å; Q247-R253 HydrophobicContact CB-CG 3.98Å; Q247-R253 PolarHBondContact O-NE 3.17Å; Q247-R253 PolarHBondContact O-NH2 2.99Å
248R93.4Very high95.9Very high132 Ų13247.1 Ų47.150%0.49826%0.258SS..SBendtrans-67.2-39.7-179.7-79.3-17962.5177.2-10.3113.1P180 V224 L225 P250 R253P180-R248 HydrophobicContact CG-CG 4.45Å; V224-R248 PolarHBondContact O-NE 3.32Å; V224-R248 PolarHBondContact O-NH2 3.26Å; V224-R248 VanDerWaalsContact O-NH2 3.1Å; L225-R248 VanDerWaalsContact O-CD 3.31Å; L225-R248 WeakPolarHBondContact O-CD 3.42Å; L225-R248 PolarHBondContact O-NH1 3.44Å; R248-P250 WeakPolarHBondContact O-CD 3.42Å; R248-R253 PolarHBondContact O-NH2 3.32Å
249D91.4Very high95.9Very high83 Ų8347.2 Ų47.244%0.44426%0.259SS..SBendtrans-78.3119.8171.3-171-20.9000108.8A251 L252D249-A251 PolarHBondContact O-N 2.85Å; D249-A251 WeakPolarHBondContact OD1-CB 3.25Å; D249-A251 PolarHBondContact OD1-N 3.18Å; D249-L252 HydrophobicContact CB-CB 4.39Å; D249-L252 HydrophobicContact CB-CD1 3.99Å; D249-L252 HydrophobicContact CB-CG 3.97Å; D249-L252 PolarHBondContact O-N 3.18Å; D249-L252 VanDerWaalsContact O-N 3.13Å
250P92.8Very high95.8Very high27 Ų2746.7 Ų46.718%0.17526%0.257CS..G310 helixtrans-58.1-27.5175.523.5-33.6000113.4E181 E191 R248 L252 R253E181-P250 HydrophobicContact CG-CG 4.44Å; E191-P250 HydrophobicContact CB-CB 3.59Å; E191-P250 HydrophobicContact CG-CB 4.08Å; R248-P250 WeakPolarHBondContact O-CD 3.42Å; P250-L252 PolarHBondContact O-N 3.12Å; P250-R253 PolarHBondContact O-N 2.89Å
251A91.3Very high95.7Very high83 Ų8349 Ų4969%0.68627%0.27SS*.G310 helixtrans-73.8-12.5179.200000114D249D249-A251 PolarHBondContact O-N 2.85Å; D249-A251 WeakPolarHBondContact OD1-CB 3.25Å; D249-A251 PolarHBondContact OD1-N 3.18Å
252L94.9Very high95.7Very high114 Ų11449.5 Ų49.560%0.59727%0.272SS*.G310 helixtrans-96.1-2.8175.5-62.1-179.6000113.2Q247 D249 P250Q247-L252 HydrophobicContact CB-CB 4.01Å; Q247-L252 HydrophobicContact CG-CB 4.09Å; D249-L252 HydrophobicContact CB-CB 4.39Å; D249-L252 HydrophobicContact CB-CD1 3.99Å; D249-L252 HydrophobicContact CB-CG 3.97Å; D249-L252 PolarHBondContact O-N 3.18Å; D249-L252 VanDerWaalsContact O-N 3.13Å; P250-L252 PolarHBondContact O-N 3.12Å
253R96.8Very high95.5Very high20 Ų2052.9 Ų52.98%0.07529%0.294CS..SBendtrans-78.7141177.7-62.6178.5-162.6140.514.3110.3E181 E191 V194 Q247 R248 P250E181-R253 IonicContact OE1-CZ 2.84Å; E181-R253 IonicContact OE1-NH1 3.85Å; E181-R253 PolarHBondContact OE1-NH1 3.2Å; E181-R253 IonicContact OE1-NH2 3.98Å; E181-R253 IonicContact OE2-CZ 2.64Å; E181-R253 IonicContact OE2-NH1 3.64Å; E181-R253 PolarHBondContact OE2-NH1 2.91Å; E181-R253 IonicContact OE2-NH2 2.66Å; E181-R253 PolarHBondContact OE2-NH2 3.02Å; E191-R253 WeakPolarHBondContact O-CD 3.18Å; E191-R253 PolarHBondContact O-NH1 3.47Å; V194-R253 HydrophobicContact CG1-CB 4.17Å; Q247-R253 HydrophobicContact CB-CG 3.98Å; Q247-R253 PolarHBondContact O-NE 3.17Å; Q247-R253 PolarHBondContact O-NH2 2.99Å; R248-R253 PolarHBondContact O-NH2 3.32Å; P250-R253 PolarHBondContact O-N 2.89Å
254P96Very high95.5Very high17 Ų1748.1 Ų48.111%0.1127%0.271CS..PPolyproline II helixtrans-67.1150.8179.628.2-35.3000111.7Q244 L245 T258 V259Q244-P254 HydrophobicContact CB-CG 4.08Å; Q244-P254 WeakPolarHBondContact O-CD 3.47Å; L245-P254 HydrophobicContact CD2-CG 4.1Å; P254-T258 HydrophobicContact CB-CG2 4.09Å; P254-V259 HydrophobicContact CB-CG2 4.08Å; P254-V259 HydrophobicContact CG-CG2 3.72Å
255S95.4Very high95.3Very high62 Ų6246.8 Ų46.843%0.43427%0.266SS..PPolyproline II helixtrans-66.5153.8170.383.90000110.8S257 T258 V259S255-S257 PolarHBondContact O-N 3.22Å; S255-S257 VanDerWaalsContact O-N 3.15Å; S255-T258 WeakPolarHBondContact O-CA 3.2Å; S255-T258 WeakPolarHBondContact O-CB 3.07Å; S255-T258 PolarHBondContact O-N 3.18Å; S255-T258 PolarHBondContact OG-N 3.41Å; S255-T258 VanDerWaalsContact OG-N 3.17Å; S255-T258 PolarHBondContact OG-OG1 2.94Å; S255-V259 WeakPolarHBondContact O-CG2 3.45Å; S255-V259 PolarHBondContact O-N 2.96Å
256L96Very high94.9Very high10 Ų1049.1 Ų49.15%0.05228%0.28CS..Hα-helixtrans-59.6-27.4178.2-67.8177.1000113.4V121 M124 L125 H128 V194 L197 L260V121-L256 HydrophobicContact CG1-CB 4.14Å; V121-L256 HydrophobicContact CG1-CD2 4.23Å; V121-L256 VanDerWaalsContact CG1-O 3.28Å; V121-L256 WeakPolarHBondContact CG1-O 3.49Å; M124-L256 HydrophobicContact CB-CD1 3.56Å; M124-L256 HydrophobicContact CB-CD2 4.33Å; M124-L256 HydrophobicContact CE-CD2 3.81Å; M124-L256 HydrophobicContact SD-CD2 4.27Å; L125-L256 HydrophobicContact CB-CD1 4.37Å; L125-L256 HydrophobicContact CD1-CB 4.28Å; H128-L256 HydrophobicContact CB-CD1 4.48Å; H128-L256 WeakPolarHBondContact ND1-CD1 3.45Å; V194-L256 HydrophobicContact CG2-CD2 4.08Å; V194-L256 HydrophobicContact CG2-CG 4.39Å; L197-L256 HydrophobicContact CD2-CD2 4.1Å; L256-L260 PolarHBondContact O-N 3.35Å
257S94.6Very high93.7Very high60 Ų6051.4 Ų51.442%0.4229%0.29SS..Hα-helixtrans-67.4-50.9170.4-530000110.9S255 V259 L260 D261S255-S257 PolarHBondContact O-N 3.22Å; S255-S257 VanDerWaalsContact O-N 3.15Å; S257-V259 PolarHBondContact O-N 3.47Å; S257-L260 WeakPolarHBondContact O-CA 3.44Å; S257-L260 WeakPolarHBondContact O-CB 3.39Å; S257-L260 PolarHBondContact O-N 2.65Å; S257-D261 PolarHBondContact O-N 3.43Å
258T95.8Very high91.9Very high68 Ų6852.7 Ų52.742%0.41730%0.299SS..Hα-helixtrans-56.4-34.5176.7-46.50000112.4P254 S255 D261 H262P254-T258 HydrophobicContact CB-CG2 4.09Å; S255-T258 WeakPolarHBondContact O-CA 3.2Å; S255-T258 WeakPolarHBondContact O-CB 3.07Å; S255-T258 PolarHBondContact O-N 3.18Å; S255-T258 PolarHBondContact OG-N 3.41Å; S255-T258 VanDerWaalsContact OG-N 3.17Å; S255-T258 PolarHBondContact OG-OG1 2.94Å; T258-D261 PolarHBondContact O-N 2.9Å; T258-H262 PolarHBondContact O-N 2.96Å
259V97.3Very high90Very high1 Ų152.4 Ų52.41%0.00631%0.306CS..Hα-helixtrans-63.5-40.1173.7172.70000111.8V121 L197 L241 L245 P254 S255 S257 D261 H262 M265V121-V259 HydrophobicContact CG1-CG1 4.38Å; V121-V259 HydrophobicContact CG2-CG1 3.79Å; L197-V259 HydrophobicContact CD2-CG1 4.42Å; L241-V259 HydrophobicContact CD1-CG1 4.34Å; L245-V259 HydrophobicContact CD2-CG2 3.8Å; P254-V259 HydrophobicContact CB-CG2 4.08Å; P254-V259 HydrophobicContact CG-CG2 3.72Å; S255-V259 WeakPolarHBondContact O-CG2 3.45Å; S255-V259 PolarHBondContact O-N 2.96Å; S257-V259 PolarHBondContact O-N 3.47Å; V259-D261 VanDerWaalsContact C-N 3.33Å; V259-H262 VanDerWaalsContact O-CB 3.31Å; V259-H262 WeakPolarHBondContact O-CB 3.45Å; V259-H262 PolarHBondContact O-N 2.73Å; V259-M265 WeakPolarHBondContact O-CG 3.3Å
260L95.2Very high88.2Confident34 Ų3454.7 Ų54.718%0.17832%0.318CS..Hα-helixtrans-68.2-32.9176.7-66.7175.8000112.6V121 K122 L256 S257 H262 M265V121-L260 HydrophobicContact CB-CD2 3.91Å; V121-L260 HydrophobicContact CB-CG 4.48Å; V121-L260 HydrophobicContact CG1-CD1 4.21Å; V121-L260 HydrophobicContact CG1-CD2 3.59Å; V121-L260 HydrophobicContact CG1-CG 3.61Å; K122-L260 HydrophobicContact CG-CD1 4.27Å; L256-L260 PolarHBondContact O-N 3.35Å; S257-L260 WeakPolarHBondContact O-CA 3.44Å; S257-L260 WeakPolarHBondContact O-CB 3.39Å; S257-L260 PolarHBondContact O-N 2.65Å; L260-H262 VanDerWaalsContact C-N 3.31Å; L260-M265 WeakPolarHBondContact O-CB 3.35Å
261D95.6Very high86.2Confident118 Ų11857.2 Ų57.263%0.63133%0.333SS*.Hα-helixtrans-79.8-11.4-180-59.7-39.3000113.2S257 T258 V259S257-D261 PolarHBondContact O-N 3.43Å; T258-D261 PolarHBondContact O-N 2.9Å; V259-D261 VanDerWaalsContact C-N 3.33Å
262H97.1Very high84.1Confident10 Ų1061.8 Ų61.85%0.04633%0.332CS..SBendtrans-56.2143.1-175.6-163.9-94.9000112.7E237 D240 L241 Q244 T258 V259 L260 F264 M265 T266E237-H262 PolarHBondContact O-CE1 3.28Å; D240-H262 IonicContact OD2-CE1 2.71Å; D240-H262 IonicContact OD2-NE2 2.59Å; D240-H262 PolarHBondContact OD2-NE2 3.31Å; L241-H262 HydrophobicContact CD1-CB 4.35Å; Q244-H262 PolarHBondContact NE2-NE2 2.96Å; T258-H262 PolarHBondContact O-N 2.96Å; V259-H262 VanDerWaalsContact O-CB 3.31Å; V259-H262 WeakPolarHBondContact O-CB 3.45Å; V259-H262 PolarHBondContact O-N 2.73Å; L260-H262 VanDerWaalsContact C-N 3.31Å; H262-F264 VanDerWaalsContact C-N 3.28Å; H262-F264 WeakPolarHBondContact ND1-CB 3.23Å; H262-F264 PolarHBondContact ND1-N 3.39Å; H262-F264 PolarHBondContact O-N 2.93Å; H262-M265 HydrophobicContact CB-CG 4.36Å; H262-M265 WeakPolarHBondContact O-CA 3.2Å; H262-M265 PolarHBondContact O-N 2.94Å; H262-T266 PolarHBondContact O-N 2.65Å; H262-T266 VanDerWaalsContact O-N 3.13Å; H262-T266 PolarHBondContact O-OG1 3.32Å; H262-T266 VanDerWaalsContact O-OG1 3.14Å
263P95.6Very high81.9Confident70 Ų7059.9 Ų59.946%0.45533%0.326SS..Hα-helixtrans-50.3-45179-31.537.1000113.8E237 M265 T266 Q267E237-P263 HydrophobicContact CG-CB 4.18Å; P263-M265 VanDerWaalsContact C-N 3.27Å; P263-M265 PolarHBondContact O-N 3.24Å; P263-T266 WeakPolarHBondContact CA-OG1 3.45Å; P263-T266 PolarHBondContact O-N 3.13Å; P263-T266 VanDerWaalsContact O-N 3.16Å; P263-T266 PolarHBondContact O-OG1 3Å; P263-Q267 WeakPolarHBondContact O-CG 3.38Å; P263-Q267 PolarHBondContact O-N 2.89Å
264F95.9Very high79.3Confident0 Ų066.3 Ų66.30%035%0.354CS..Hα-helixtrans-50.8-45.8173.1177.7-99.1000112.1E110 R114 F201 E237 A238 L241 H262E110-F264 HydrophobicContact CB-CE2 3.92Å; E110-F264 HydrophobicContact CB-CZ 4.19Å; E110-F264 HydrophobicContact CG-CE2 4.02Å; E110-F264 HydrophobicContact CG-CZ 4.49Å; E110-F264 WeakPolarHBondContact OE2-CE2 3.38Å; R114-F264 HydrophobicContact CB-CE1 3.79Å; R114-F264 HydrophobicContact CB-CZ 3.96Å; R114-F264 HydrophobicContact CG-CE1 4.14Å; R114-F264 PolarHBondContact NE-O 2.83Å; R114-F264 PolarHBondContact NH2-O 3.28Å; F201-F264 HydrophobicContact CE1-CE1 4.47Å; F201-F264 HydrophobicContact CE2-CD1 4.37Å; F201-F264 AromaticContact CE2-CE1 3.54Å; F201-F264 HydrophobicContact CE2-CE1 3.54Å; F201-F264 AromaticContact CE2-CZ 3.64Å; F201-F264 HydrophobicContact CE2-CZ 3.64Å; F201-F264 AromaticContact CZ-CD1 3.83Å; F201-F264 HydrophobicContact CZ-CD1 3.83Å; F201-F264 HydrophobicContact CZ-CD2 4.4Å; F201-F264 AromaticContact CZ-CE1 3.39Å; F201-F264 HydrophobicContact CZ-CE1 3.39Å; F201-F264 HydrophobicContact CZ-CE2 4.01Å; F201-F264 HydrophobicContact CZ-CG 4.33Å; F201-F264 AromaticContact CZ-CZ 3.51Å; F201-F264 HydrophobicContact CZ-CZ 3.51Å; E237-F264 HydrophobicContact CB-CB 3.95Å; A238-F264 HydrophobicContact CB-CD2 3.8Å; A238-F264 HydrophobicContact CB-CE2 3.8Å; L241-F264 HydrophobicContact CD2-CB 4.19Å; L241-F264 HydrophobicContact CD2-CD1 3.64Å; L241-F264 HydrophobicContact CD2-CE1 4.47Å; L241-F264 HydrophobicContact CD2-CG 4.2Å; H262-F264 VanDerWaalsContact C-N 3.28Å; H262-F264 WeakPolarHBondContact ND1-CB 3.23Å; H262-F264 PolarHBondContact ND1-N 3.39Å; H262-F264 PolarHBondContact O-N 2.93Å
265M95.2Very high76.9Confident22 Ų2271.7 Ų71.711%0.10838%0.378CS..Hα-helixtrans-75.2-26.4-176.1-64.4-60.4-76.200113.3R114 M117 H118 L241 V259 L260 H262 P263R114-M265 HydrophobicContact CG-CE 4.5Å; R114-M265 HydrophobicContact CG-SD 3.98Å; M117-M265 HydrophobicContact CB-CE 3.81Å; M117-M265 HydrophobicContact CB-SD 4.05Å; H118-M265 HydrophobicContact CB-CE 3.71Å; L241-M265 HydrophobicContact CD2-CG 4.27Å; L241-M265 HydrophobicContact CD2-SD 4.39Å; V259-M265 WeakPolarHBondContact O-CG 3.3Å; L260-M265 WeakPolarHBondContact O-CB 3.35Å; H262-M265 HydrophobicContact CB-CG 4.36Å; H262-M265 WeakPolarHBondContact O-CA 3.2Å; H262-M265 PolarHBondContact O-N 2.94Å; P263-M265 VanDerWaalsContact C-N 3.27Å; P263-M265 PolarHBondContact O-N 3.24Å
266T89.8Confident74.6Confident49 Ų4976 Ų7630%0.30140%0.395SS..Hα-helixtrans-99.3-21.7-170.653.20000115H262 P263 N268 L269H262-T266 PolarHBondContact O-N 2.65Å; H262-T266 VanDerWaalsContact O-N 3.13Å; H262-T266 PolarHBondContact O-OG1 3.32Å; H262-T266 VanDerWaalsContact O-OG1 3.14Å; P263-T266 WeakPolarHBondContact CA-OG1 3.45Å; P263-T266 PolarHBondContact O-N 3.13Å; P263-T266 VanDerWaalsContact O-N 3.16Å; P263-T266 PolarHBondContact O-OG1 3Å; T266-N268 VanDerWaalsContact C-N 3.28Å; T266-N268 PolarHBondContact O-N 3.33Å; T266-L269 PolarHBondContact O-N 3.03Å
267Q72.5Confident72.3Confident56 Ų5685.2 Ų85.226%0.26243%0.429SS..Hα-helixtrans-38.1-48.3-179.5-87.7164.4-18.100114.9E237 P263 L269 L270E237-Q267 PolarHBondContact OE1-NE2 2.8Å; P263-Q267 WeakPolarHBondContact O-CG 3.38Å; P263-Q267 PolarHBondContact O-N 2.89Å; Q267-L269 VanDerWaalsContact C-N 3.28Å; Q267-L269 PolarHBondContact O-N 2.75Å; Q267-L270 PolarHBondContact O-N 2.92Å
268N57Low70Confident70 Ų7089.2 Ų89.237%0.37445%0.445SS..Hα-helixtrans-68.3-18.8-173.9-106-63.7000114.8D111 R114 T266D111-N268 PolarHBondContact OD1-ND2 3.03Å; R114-N268 PolarHBondContact NH1-ND2 2.95Å; T266-N268 VanDerWaalsContact C-N 3.28Å; T266-N268 PolarHBondContact O-N 3.33Å
269L54.3Low67.4Low127 Ų12789.4 Ų89.467%0.66546%0.461SS*.Hα-helixtrans-72.1-32.6175.8-71.4170.6000112.1T266 Q267 T273T266-L269 PolarHBondContact O-N 3.03Å; Q267-L269 VanDerWaalsContact C-N 3.28Å; Q267-L269 PolarHBondContact O-N 2.75Å; L269-T273 WeakPolarHBondContact O-CB 3.5Å; L269-T273 PolarHBondContact O-N 3.5Å; L269-T273 PolarHBondContact O-OG1 3.34Å
270L52.3Low64.8Low130 Ų13096.7 Ų96.768%0.68150%0.5SS*.Hα-helixtrans-76.5-35.5-178.5-68.2172.3000112.5Q267 T273 K274Q267-L270 PolarHBondContact O-N 2.92Å; L270-T273 PolarHBondContact O-N 3.37Å; L270-K274 PolarHBondContact O-N 3.22Å; L270-K274 VanDerWaalsContact O-N 3.12Å
271V51.9Low62.3Low81 Ų81102.6 Ų102.649%0.49153%0.531SS..Hα-helixtrans-65.6-54.1179.9-177.90000111.1T273 K274 E275V271-T273 PolarHBondContact O-N 2.9Å; V271-K274 WeakPolarHBondContact O-CA 3.31Å; V271-K274 WeakPolarHBondContact O-CB 3.39Å; V271-K274 PolarHBondContact O-N 3.42Å; V271-E275 PolarHBondContact O-N 3.39Å
272R47.4Very low59.5Low178 Ų178102.2 Ų102.267%0.67254%0.538SS*.Hα-helixtrans-59.2-32.6176.3-82-174.1170.9-177.2-1.7113.5K274 E275 L276R272-K274 VanDerWaalsContact C-N 3.28Å; R272-K274 PolarHBondContact O-N 3.06Å; R272-E275 PolarHBondContact O-N 3.35Å; R272-L276 WeakPolarHBondContact O-CB 3.34Å; R272-L276 WeakPolarHBondContact O-CG 3.27Å; R272-L276 PolarHBondContact O-N 2.86Å
273T48.5Very low56.8Low75 Ų75106.5 Ų106.546%0.4657%0.569SS.*Hα-helixtrans-72.9-21.1176.7-54.70000112.5L269 L270 V271 R277L269-T273 WeakPolarHBondContact O-CB 3.5Å; L269-T273 PolarHBondContact O-N 3.5Å; L269-T273 PolarHBondContact O-OG1 3.34Å; L270-T273 PolarHBondContact O-N 3.37Å; V271-T273 PolarHBondContact O-N 2.9Å; T273-R277 WeakPolarHBondContact O-CD 3.48Å; T273-R277 WeakPolarHBondContact O-CG 3.23Å
274K42.9Very low54.3Low154 Ų154110.8 Ų110.867%0.6759%0.587SS**Hα-helixtrans-82.8-43.1168.4-95-174170.7-175.20112.6L270 V271 R272 L276 R277 L278L270-K274 PolarHBondContact O-N 3.22Å; L270-K274 VanDerWaalsContact O-N 3.12Å; V271-K274 WeakPolarHBondContact O-CA 3.31Å; V271-K274 WeakPolarHBondContact O-CB 3.39Å; V271-K274 PolarHBondContact O-N 3.42Å; R272-K274 VanDerWaalsContact C-N 3.28Å; R272-K274 PolarHBondContact O-N 3.06Å; K274-L276 VanDerWaalsContact C-N 3.32Å; K274-L276 PolarHBondContact O-N 2.97Å; K274-R277 CarbonylContact O-C 3.55Å; K274-R277 WeakPolarHBondContact O-CA 3.34Å; K274-R277 PolarHBondContact O-N 3.26Å; K274-L278 WeakPolarHBondContact O-CD1 3.33Å; K274-L278 PolarHBondContact O-N 3.37Å
275E43.8Very low51.4Low131 Ų131117.8 Ų117.861%0.61262%0.624SS**Hα-helixtrans-60.8-41.4177.8-68.1178.1132.900111.5V271 R272 R277 L278V271-E275 PolarHBondContact O-N 3.39Å; R272-E275 PolarHBondContact O-N 3.35Å; E275-R277 PolarHBondContact O-N 2.89Å; E275-L278 PolarHBondContact O-N 2.74Å
276L48.6Very low48.7Very low153 Ų153121.5 Ų121.580%0.80165%0.652SS**THydrogen-bonded Turntrans-71.69.1171.9-69.6169.8000114.4R272 K274R272-L276 WeakPolarHBondContact O-CB 3.34Å; R272-L276 WeakPolarHBondContact O-CG 3.27Å; R272-L276 PolarHBondContact O-N 2.86Å; K274-L276 VanDerWaalsContact C-N 3.32Å; K274-L276 PolarHBondContact O-N 2.97Å
277R46.2Very low46Very low202 Ų202122.6 Ų122.676%0.76267%0.673SS**THydrogen-bonded Turntrans-133.5-4.3177.8-72.1-174.2174.9-165.6-1.8114.6T273 K274 E275T273-R277 WeakPolarHBondContact O-CD 3.48Å; T273-R277 WeakPolarHBondContact O-CG 3.23Å; K274-R277 CarbonylContact O-C 3.55Å; K274-R277 WeakPolarHBondContact O-CA 3.34Å; K274-R277 PolarHBondContact O-N 3.26Å; E275-R277 PolarHBondContact O-N 2.89Å
278L47.2Very low44.2Very low145 Ų145128.1 Ų128.176%0.75970%0.703SS**SBendtrans-108.563.8166.3-82.779.5000108.4K274 E275K274-L278 WeakPolarHBondContact O-CD1 3.33Å; K274-L278 PolarHBondContact O-N 3.37Å; E275-L278 PolarHBondContact O-N 2.74Å
279G41.1Very low43.1Very low72 Ų72128.7 Ų128.774%0.74272%0.717SS**SBendtrans-129.99-17800000114.1
280D43.6Very low42.1Very low154 Ų154128.1 Ų128.182%0.82472%0.719SS**  trans-160.1111.4170.3-132.1-14.7000108.6
281D42.5Very low41.2Very low157 Ų157129.2 Ų129.284%0.8472%0.724SS**  trans-151.498.8164.1-174.68.2000109.7
282S37.2Very low40.3Very low111 Ų111130 Ų13078%0.77673%0.732SS**  trans-154.979.8166.266.80000111.7
283S38.4Very low39.5Very low100 Ų100127.9 Ų127.970%0.69974%0.74SS**  trans-172.694.8140.6-173.10000113.5
284I45Very low38.6Very low160 Ų160128.2 Ų128.282%0.82175%0.75SS**  trans1.3127.2142.441.8169.4000120.3
285D33.1Very low37.9Very low147 Ų147126.4 Ų126.479%0.78676%0.756SS**  105.8152.4123.1-164.853000122.6
286S39.8Very low37.2Very low100 Ų100126.3 Ų126.370%0.69976%0.764SS**  trans85.2115.3157.3-84.70000121.7
287G33.1Very low36.4Very low71 Ų71125 Ų12573%0.73277%0.767SS**  trans95.1120161.400000115.3
288I34.2Very low35.6Very low173 Ų173120.3 Ų120.389%0.88777%0.766SS**  cis59.2111.828.3-57.6-178.1000111.2
289A34.1Very low34.9Very low82 Ų82119.2 Ų119.268%0.67877%0.765SS**  cis-165-167.62.600000112.8
290T34.1Very low34.5Very low114 Ų114121 Ų12170%0.69977%0.766SS**  trans87.7104.5139.4-69.70000119.3
291I33.4Very low33.9Very low153 Ų153117.7 Ų117.779%0.78576%0.76SS**  trans59.1161.9145.779.8-177.3000120.2
292S31.6Very low33.4Very low97 Ų97115.1 Ų115.168%0.67876%0.755SS**  cis-168.7158.5-34.8-90.50000109.1
293T31.9Very low33.1Very low134 Ų134116 Ų11682%0.82276%0.761SS**  trans70.5147.3153.9-53.60000118.4
294A27.9Very low32.6Very low82 Ų82115.2 Ų115.268%0.67877%0.768SS**  trans-58.1172.217200000113
295C29.8Very low32.2Very low117 Ų117114.2 Ų114.279%0.79177%0.77SS**  -152.9158.469.5-84.40000116
296T28.5Very low32.1Very low129 Ų129118.9 Ų118.979%0.79178%0.776SS**  trans-47.8144.8166.350.90000115.6
297S31.4Very low31.6Very low124 Ų124121.1 Ų121.187%0.86778%0.779SS**  trans-149.9123.3145.8-58.50000112
298S30.5Very low31.7Very low104 Ų104124.3 Ų124.373%0.72778%0.775SS**  trans-67.3162.7149.651.10000109.6
299V32.3Very low31.6Very low122 Ų122124.8 Ų124.874%0.73977%0.766SS**  cis-158.7150.849.8-100.80000109.1
300S31.4Very low31.4Very low111 Ų111131.2 Ų131.278%0.77677%0.773SS**  49.7130.683.3-49.30000114.9
301A32Very low31.2Very low83 Ų83131.1 Ų131.169%0.68677%0.772SS**  cis-164.7166.7-5.600000113.3
302S31.2Very low31.3Very low104 Ų104132.1 Ų132.173%0.72777%0.771SS**  trans61.9124.6142.763.80000123.5
303S31.9Very low31.2Very low129 Ų129135.1 Ų135.190%0.90277%0.774SS**  trans75.8123.1133.9-59.20000121.6
304G28.3Very low31.1Very low83 Ų83132.8 Ų132.886%0.85677%0.768SS**  trans173.296.9165.800000113.8
305T35.6Very low31.1Very low139 Ų139137.1 Ų137.185%0.85378%0.778SS**  trans-87.8138.8-174.853.60000114.3
306R30.8Very low30.9Very low246 Ų246134.5 Ų134.593%0.92877%0.771SS**  trans-158.9149.6147.7-117.8172.7-167.5-148.51.5115.6
307L29.4Very low31.9Very low146 Ų146134.5 Ų134.576%0.76477%0.773SS**  trans-67.2169.2167.5-76.162.5000110.1
308Q34.9Very low31.8Very low139 Ų139133.2 Ų133.265%0.6577%0.771SS**  cis-163-168.627.1-141.7169.610000107.5
309R32Very low32.1Very low182 Ų182136.2 Ų136.269%0.68778%0.778SS**  cis-164.6121.77.8167.8177.7-75.5-170.3-1.8111.1
310R31.3Very low32.6Very low217 Ų217136.9 Ų136.982%0.81978%0.784SS**  trans64.8158.7155.6-71.3178.3171.8168.9-3.9117.2
311T30.2Very low32.5Very low112 Ų112139.4 Ų139.469%0.68779%0.789SS**  cis-151.6176.33.23.30000107.9
312K33.5Very low32.4Very low174 Ų174145.7 Ų145.776%0.75780%0.795SS**  cis-130.2-111.414-142.3-167.4-168.9-177.10114.7
313H30.8Very low32.2Very low160 Ų160148.8 Ų148.874%0.74180%0.8SS**  trans-154.5163.7-154.4-62.5-24.9000111
314A28.8Very low31.8Very low86 Ų86149.7 Ų149.771%0.71180%0.8SS**  cis-178.8-159.7-23.200000108.6
315I29Very low31.5Very low172 Ų172155 Ų15588%0.88280%0.796SS**  trans85.6125.1165.9-51175.4000117.3
316G25.5Very low31Very low63 Ų63154.8 Ų154.865%0.64979%0.794SS**  trans-141.1-151.3152.700000106.9
317P49.6Very low31.2Very low128 Ų128147.2 Ų147.283%0.83178%0.777SS**  cis-138.8-160.3-7.342.8-23.7000113.5
318A28.3Very low31.6Very low98 Ų98145.7 Ų145.781%0.8178%0.775SS**  trans81.1158.5153.100000121.4
319L37.1Very low31.1Very low167 Ų167151 Ų15187%0.87479%0.789SS**  trans-92.2162.2178.6-62.8165.8000111.1
320P42.5Very low30.8Very low135 Ų135151.3 Ų151.388%0.87780%0.799SS**  -143.8-161105.640-25.3000113.9
321N30.4Very low31.2Very low164 Ų164146.4 Ų146.488%0.87780%0.795SS**  trans-129.1169-164-161.3-5.9000112.1
322R29.6Very low30.9Very low216 Ų216146.4 Ų146.482%0.81580%0.8SS**  trans91.893.3160.7-160.9176.4-166.7-169.94.5121.1
323M25.8Very low30.5Very low169 Ų169142.3 Ų142.383%0.83379%0.793SS**  59.5120.3115.7-159.2179.7-162.400121.9
324T24.4Very low30.3Very low147 Ų147143 Ų14390%0.90280%0.795SS**  trans-141.1171.3157.8-28.20000110.9
325Y21.4Very low30.2Very low194 Ų194145.1 Ų145.176%0.76179%0.794SS**  trans-139.6150.6-160179.3-89.5000111.5P327Y325-P327 HydrophobicContact CE1-CB 4.37Å; Y325-P327 HydrophobicContact CE1-CG 3.91Å
326V26.3Very low30.2Very low135 Ų135143.5 Ų143.582%0.81879%0.787SS**  trans-173.6151.3154.7133.90000110.3
327P34.3Very low30.3Very low88 Ų88146 Ų14657%0.57179%0.789SS**  trans-120.4-125.4-151.628.1-3.1000116.1Y325Y325-P327 HydrophobicContact CE1-CB 4.37Å; Y325-P327 HydrophobicContact CE1-CG 3.91Å
328P37.8Very low29.3Very low113 Ų113147.3 Ų147.373%0.73479%0.789SS**  -123.9166.6-107.139.5-24.4000116
329R24.7Very low29.3Very low250 Ų250145.5 Ų145.594%0.94378%0.78SS**  trans-144.8132.2161.1-74.9-164.7174.8-177.7-1.7115
330Q25.6Very low28.9Very low189 Ų189142 Ų14288%0.88377%0.77SS**  trans-150.9176.9155.4-81.7-163.6-3.900105.2
331P40.3Very low28.1Very low114 Ų114147.2 Ų147.274%0.7477%0.772SS**  cis-126.8169-10.439.8-26.1000113.9
332S23.9Very low27.9Very low112 Ų112142.7 Ų142.778%0.78376%0.764SS**  trans175.3160.7150.545.30000109.9
333S24.9Very low27.7Very low89 Ų89144.5 Ų144.562%0.62277%0.771SS**  cis166.5157.1-4550.30000107.8
334F25.2Very low27.6Very low175 Ų175140.8 Ų140.877%0.76877%0.767SS**  trans74.5125.3-174.3-64-93.4000113.2
335D27.5Very low27.6Very low129 Ų129137.8 Ų137.869%0.6976%0.758SS**  88.3144.750.6-58.3-3.3000110.2
336D28.5Very low27.8Very low138 Ų138138.6 Ų138.674%0.73876%0.761SS**  cis-157.11714-144.1-11.1000113.8
337V28.3Very low27.7Very low115 Ų115141.3 Ų141.370%0.69776%0.762SS**  trans52.3144.7143.5155.60000124.2
338D28.2Very low27.2Very low156 Ų156140 Ų14083%0.83476%0.764SS**  trans68.9148162.8-101-14.3000121
339G28.1Very low26.7Very low61 Ų61143.6 Ų143.663%0.62977%0.771SS**  cis176166.7-2.800000117.7
340S28.8Very low26.7Very low94 Ų94138.2 Ų138.266%0.65777%0.766SS**  trans61.8122156.3-71.60000122.7
341R27.2Very low26.7Very low243 Ų243132.7 Ų132.792%0.91776%0.76SS**  39.6133.7124.2-56.5166.4174.6170.6-1.7119.4
342G24.7Very low26Very low69 Ų69135.1 Ų135.171%0.71176%0.762SS**  cis134.7156.90.900000113.3
343R26Very low26.5Very low254 Ų254135.8 Ų135.896%0.95876%0.763SS**  trans69.8160.7-179.4-68.5-180168.1178.6-4.6116.3
344A23.9Very low26.6Very low91 Ų91140.4 Ų140.475%0.75277%0.768SS**  cis-175179.9-29.400000110.2
345A24.7Very low26.8Very low85 Ų85138 Ų13870%0.70277%0.773SS**  trans78.4126.717000000116.9
346Y24.4Very low26.7Very low210 Ų210141.9 Ų141.982%0.82478%0.778SS**  73.5134.360-76-66.4000112.3
347F24.2Very low26.6Very low193 Ų193144.9 Ų144.985%0.84679%0.785SS**  cis-132.9179.45.8-92-91.4000109.4
348G25.2Very low26.6Very low60 Ų60145.9 Ų145.962%0.61979%0.786SS**  cis164.7162.2-2.900000111.8
349E26.4Very low26.5Very low189 Ų189147.4 Ų147.488%0.88378%0.78SS**  trans33149.5154.4-59-165.3113.400123
350T25.4Very low26.6Very low137 Ų137154.3 Ų154.384%0.8479%0.787SS**  cis-137.9178.77.650.30000109.1
351G24.2Very low26.5Very low73 Ų73153.4 Ų153.475%0.75379%0.785SS**  cis-170.4-159.412.800000114.2
352Q26.9Very low26.5Very low165 Ų165150.9 Ų150.977%0.77178%0.783SS**  trans-68.7164.5-164.4-55.5-178.6-10.200116.2
353P33.6Very low26.7Very low126 Ų126152.4 Ų152.482%0.81878%0.783SS**  -140.1166.192.740.1-28.8000116.6
354Y26.3Very low26.9Very low186 Ų186145.7 Ų145.773%0.72978%0.775SS**  trans-69.5151169.6-83.4-113000113
355S29.5Very low27.2Very low124 Ų124149 Ų14987%0.86778%0.78SS**  trans-155.8145139.6550000112
356R27.1Very low27.4Very low211 Ų211157.3 Ų157.380%0.79679%0.793SS**  trans-109.5118.3174.1-60.7177.6-172.7142.8-0.7109
357F26.3Very low27.3Very low201 Ų201153.8 Ų153.888%0.88280%0.798SS**  174.4158.7115.3-101.2-79000110.1
358L27.1Very low27.4Very low136 Ų136147.9 Ų147.971%0.71279%0.791SS**  trans-92.7150-167.9-68.1165.1000110.6
359R26.9Very low27.5Very low187 Ų187150.6 Ų150.671%0.70680%0.801SS**  53.3140.864.3-82.7-164.2-82.4-162.6-3.5110.9
360R29.5Very low27.4Very low207 Ų207146 Ų14678%0.78180%0.795SS**  cis-168.9-173.325.1-132.9174.2-178.3151.7-6107.5
361A27Very low27.5Very low75 Ų75147.5 Ų147.562%0.6279%0.793SS**  cis-159.1164.1-1.500000110
362H27.2Very low28.5Very low190 Ų190149.7 Ų149.788%0.8879%0.793SS**  trans-97.2137.8139-82-108000109.4
363S29.6Very low28.4Very low100 Ų100145 Ų14570%0.69979%0.789SS**  trans20.6134.9154.9-164.20000121.6
364S30.4Very low28.1Very low114 Ų114146.8 Ų146.880%0.79779%0.791SS**  -179.9146.2116.932.80000113.4
365D30.4Very low28Very low159 Ų159144.2 Ų144.285%0.8580%0.795SS**  trans-97147.6161.2-61.8-69.1000110.4
366R27.4Very low27.8Very low260 Ų260143.2 Ų143.298%0.98179%0.788SS**  trans-168.1161.9158-112.8172.9-169.2-1060.7111.2
367C23.4Very low27.8Very low137 Ų137137.9 Ų137.993%0.92678%0.783SS**  trans-142157.2-175.5-1710000111.9
368G26.4Very low27.9Very low68 Ų68136 Ų13670%0.70178%0.777SS**  trans95143.9177.800000115
369S26.3Very low27.8Very low118 Ų118135.9 Ų135.983%0.82577%0.773SS**  cis-170.2147.3-251.60000114.5
370A25.7Very low27.9Very low92 Ų92134 Ų13476%0.7677%0.771SS**  trans80126.9147.500000124.3
371E26.5Very low27.9Very low169 Ų169131 Ų13179%0.7977%0.77SS**  trans64.9156.6141.3-70.3-54.2103.300123.6
372P44.9Very low27.9Very low118 Ų118130.1 Ų130.177%0.76677%0.769SS**  cis-131.1168.2-11.638.2-22.4000116.8
373G24.5Very low27.9Very low66 Ų66132.6 Ų132.668%0.6877%0.771SS**  trans133.2112.9142.800000122.1
374L26.8Very low27.7Very low164 Ų164132 Ų13286%0.85977%0.766SS**  trans55.8108.3141.4-70.2158.9000120.1
375T25.6Very low27.5Very low133 Ų133134.8 Ų134.882%0.81677%0.765SS**  176.315976.934.80000112.6
376S25.9Very low27.3Very low103 Ų103132.7 Ų132.772%0.7276%0.764SS**  trans51.4109.7161-164.20000119.3
377S25.9Very low27.3Very low99 Ų99129.1 Ų129.169%0.69276%0.758SS**  63.6135.372.795.30000114.4
378Q27.6Very low27.5Very low160 Ų160131.4 Ų131.475%0.74876%0.755SS**  cis-148.7158.229.4-96.6-169.9-75.200115.1
379H25.9Very low27.7Very low135 Ų135134.2 Ų134.263%0.62576%0.759SS**  trans55.7110.6153.3-74-104.9000120.2
380E28.2Very low27.8Very low146 Ų146135.8 Ų135.868%0.68276%0.757SS**  83.5149.584.5-80-161.8131.400113.7
381L30.6Very low27.9Very low144 Ų144137.9 Ų137.975%0.75476%0.761SS**  cis-155.2166.2-3.5-107.5167.5000106.7
382G26.8Very low28Very low58 Ų58134.2 Ų134.260%0.59876%0.759SS**  cis164.8165.9-8.300000113.2
383R26.9Very low27.3Very low242 Ų242136 Ų13691%0.91377%0.767SS**  trans66.5151.1168.9-72.6-176.2172.9162.2-0.2119.1
384C25.3Very low27.3Very low88 Ų88136.5 Ų136.560%0.59577%0.773SS**  cis-176.3132.1-31.2-111.90000111.1
385H26.4Very low27.4Very low171 Ų171139.5 Ų139.579%0.79277%0.773SS**  trans57.8169.1158.7-46.4-62.3000117.6
386S26.4Very low28.2Very low116 Ų116138.3 Ų138.381%0.81177%0.767SS**  cis-143.8171.34.4-43.50000111.5
387E27.9Very low28.2Very low184 Ų184141.1 Ų141.186%0.8677%0.773SS**  trans-81.1167.3167.2-60.5175.3101.900112.9
388E27.6Very low28.3Very low185 Ų185144.9 Ų144.986%0.86478%0.777SS**  trans163.4166.2130.2-88.5-170.2158.700109.8
389T29.4Very low28.8Very low127 Ų127142.7 Ų142.778%0.77978%0.777SS**  cis-165-179.9-40.4-83.30000106.4
390L29.5Very low28.9Very low152 Ų152141.2 Ų141.280%0.79678%0.782SS**  trans-96.5163.9-161.9-68160.5000117.4
391T27.5Very low28.8Very low136 Ų136139.2 Ų139.283%0.83478%0.784SS**  trans81.8131.4153.669.30000121.7
392A27.9Very low28.7Very low91 Ų91137.7 Ų137.775%0.75279%0.786SS**  149117.4112.100000116.2
393V30.4Very low28.9Very low156 Ų156141.1 Ų141.195%0.94580%0.795SS**  trans33.3123.9142.8-170.40000121.6
394G24.8Very low29.5Very low77 Ų77135.5 Ų135.579%0.79479%0.79SS**  trans179.5127.3157.800000116.3
395R28.7Very low29.7Very low227 Ų227139.7 Ų139.786%0.85780%0.801SS**  trans-134.5161.4167.4-119.8-168.6178.8-168.20.7107
396P42.6Very low30.6Very low107 Ų107136.6 Ų136.670%0.69580%0.796SS**  -154-165.751.541.9-19.1000117.6
397L26.5Very low30.7Very low162 Ų162140.5 Ų140.585%0.84880%0.798SS**  trans89150158.1-70.1164.3000121.4
398F28.1Very low30.7Very low178 Ų178137.7 Ų137.778%0.78180%0.799SS**  trans-115166.5-177.3-69.1-93.9000110.1
399P38.3Very low30.7Very low114 Ų114135.9 Ų135.974%0.7480%0.795SS**  -122.7151.882.82.520.9000112.3
400S26.4Very low30.7Very low104 Ų104138.1 Ų138.173%0.72780%0.796SS**  50.9132.37479.10000114.9
401S26.7Very low30.5Very low104 Ų104136.3 Ų136.373%0.72780%0.797SS**  cis-168.6-168.2543.50000111.7
402S28.7Very low30.5Very low113 Ų113141.6 Ų141.679%0.7980%0.801SS**  trans72.6110.2160.947.10000121.2
403T31.5Very low30.9Very low130 Ų130144.7 Ų144.780%0.79880%0.804SS**  trans-63.4166.8141.632.10000111.3
404P39.7Very low31Very low124 Ų124143.1 Ų143.181%0.80580%0.798SS**  cis-142.3-177.535.241.7-20.9000118.8
405H29.8Very low31.1Very low176 Ų176144.5 Ų144.582%0.81580%0.795SS**  trans-70.8176.2168.5-68.4-60.2000112.5
406P44.6Very low32.2Very low106 Ų106139.5 Ų139.569%0.68879%0.792SS**  cis-146.4-177.118.346.2-26.8000119.4
407F27.2Very low32.5Very low197 Ų197139 Ų13986%0.86479%0.789SS**  trans47.3122.1154.7-75.4-66.7000122.7
408S29.7Very low32.8Very low125 Ų125137.4 Ų137.487%0.87479%0.785SS**  -178.8173.8120.435.70000112.2
409D27.1Very low32.8Very low147 Ų147138.2 Ų138.279%0.78679%0.789SS**  trans-94.1161.6-156.2-89.4-63.3000118.9
410H29.6Very low32.3Very low174 Ų174141.3 Ų141.381%0.80679%0.793SS**  trans-15.9137.2163.7-60.4-81.8000120.3
411S25.1Very low33Very low115 Ų115142.4 Ų142.480%0.80480%0.798SS**  -164.9122.312930.70000117.2
412R27.3Very low33.1Very low247 Ų247141.1 Ų141.193%0.93279%0.793SS**  trans46.9140140.6-58.2-173.9-173.1-132.8-1.3124.1
413L35.7Very low33.1Very low155 Ų155144.5 Ų144.581%0.81280%0.796SS**  trans-63.6160.1163.9-55.7157.7000114
414P32.4Very low32.9Very low124 Ų124144 Ų14481%0.80580%0.798SS**  trans-86.6164.7148.935.1-30.2000112.5
415S26.6Very low32.2Very low106 Ų106141.1 Ų141.174%0.74179%0.791SS**  trans-136.4-140.4-175.6-37.30000108.5
416P51.9Low32.1Very low122 Ų122144.4 Ų144.479%0.79280%0.798SS**  cis-113.4-113.5-13.121.56.4000108.9
417P48.9Very low31.1Very low96 Ų96147 Ų14762%0.62381%0.805SS**  cis-140138.5-27.838.5-18.5000118
418V32.8Very low31.4Very low129 Ų129143.5 Ų143.578%0.78280%0.802SS**  trans63.9155.8147.6-56.90000120.8
419K28.1Very low31.2Very low195 Ų195142.3 Ų142.385%0.84880%0.8SS**  cis-149.5161.211.1-139.4151.1-169.7178.70114.3
420Q27.6Very low31.1Very low178 Ų178143.7 Ų143.783%0.83280%0.802SS**  trans-83.2177.4172.1-86.9177.8-15.400112.3
421P41.1Very low30.9Very low127 Ų127143 Ų14383%0.82580%0.801SS**  cis-146.3-148.934.941.7-17.6000115.3
422A29.7Very low30.8Very low77 Ų77144.1 Ų144.164%0.63680%0.802SS**  -162.3176.1-71.500000112.1
423H28.3Very low30.8Very low184 Ų184142.5 Ų142.585%0.85280%0.798SS**  trans76.2123.7161-78.7-78.3000124.1
424S27.8Very low30.5Very low121 Ų121140.6 Ų140.685%0.84680%0.795SS**  trans58.1128.3130-139.50000121.3
425G24.8Very low30.4Very low63 Ų63140.3 Ų140.365%0.64979%0.793SS**  trans-110.9-176.1-176.600000115.3
426Y27.3Very low30.4Very low244 Ų244141.2 Ų141.296%0.95779%0.794SS**  trans-153.6160.9161.1-107.4-82.6000109.6
427L24Very low29.2Very low161 Ų161141.1 Ų141.184%0.84380%0.796SS**  trans-96.3176.2176.5-69.5168.2000110.9
428P33.8Very low28Very low123 Ų123144 Ų14480%0.79980%0.801SS**  cis-125.3-171.6-12.336.4-19.1000112.7
429A25.2Very low27.6Very low100 Ų100147.3 Ų147.383%0.82680%0.801SS**  trans-133.2144.1163.400000111.1
430Q25.6Very low27.5Very low176 Ų176146.1 Ų146.182%0.82280%0.799SS**  trans-147.4130.6172.5-134.3-170.32.800111.9
431M24.1Very low27.3Very low161 Ų161145.3 Ų145.379%0.79380%0.8SS**  trans49.8125.8163.1-63.7-172.417900120.6
432V23.4Very low26.6Very low138 Ų138147.8 Ų147.884%0.83681%0.805SS**  -167152.398.3147.90000109.3
433Y27.5Very low26.4Very low212 Ų212151.5 Ų151.583%0.83182%0.815SS**  trans-75.9160.4179.6-72.6-94.7000113.5
434P28.7Very low26.3Very low116 Ų116145.9 Ų145.975%0.75381%0.807SS**  -136.6-174.9118.344.5-33000110.9
435P32Very low26.3Very low118 Ų118147 Ų14777%0.76681%0.808SS**  -123.7172-128.623.52.2000118
436T26.7Very low26.4Very low125 Ų125148.5 Ų148.577%0.76781%0.809SS**  trans-16.1132.8162.8-37.10000119.5Q438T436-Q438 HydrophobicContact CG2-CG 4.42Å
437S25.8Very low26.4Very low119 Ų119144.4 Ų144.483%0.83280%0.803SS**  trans-136.3147.7133.771.70000109.9
438Q23.5Very low26.5Very low157 Ų157148.3 Ų148.373%0.73481%0.807SS**  trans-88.8160-168.6-62.2160.1-20.500111.8T436T436-Q438 HydrophobicContact CG2-CG 4.42Å
439Y25Very low26.2Very low198 Ų198150.7 Ų150.778%0.77681%0.812SS**  -172.1122110.1-114.3-85000113.8
440Q25.4Very low26.2Very low171 Ų171153.9 Ų153.980%0.79982%0.815SS**  trans46.7100.4156.1-73.4172.2-20.500120.4
441D23.6Very low26.1Very low160 Ų160151.1 Ų151.186%0.85682%0.815SS**  trans-65149.3150.5-71.6-68.7000112.2
442L26.3Very low26.2Very low179 Ų179153.3 Ų153.394%0.93782%0.823SS**  trans-127.790.7161.5-100.6170.2000108.5
443D26.7Very low26.3Very low156 Ų156150.2 Ų150.283%0.83482%0.819SS**  trans-69.2151-179.5-148.7-18.6000111.5
444G26Very low26.4Very low66 Ų66146.4 Ų146.468%0.6882%0.824SS**  trans166.416.3-176.200000121.7
445V28Very low26.2Very low143 Ų143144.5 Ų144.587%0.86783%0.825SS**  trans-139.676.2169.7-165.30000113.1
446S25.4Very low26Very low96 Ų96144.6 Ų144.667%0.67183%0.828SS**  trans-142.3128.8167.355.60000111.4
447N27.6Very low26.1Very low157 Ų157150 Ų15084%0.8484%0.835SS**  trans122.178.3172.4-66.5-15.2000113.9
448W27.3Very low26.3Very low243 Ų243150.1 Ų150.192%0.9283%0.833SS**  trans-134.1141.7161.1-78.665000107.6
449L25.7Very low26.6Very low173 Ų173148.9 Ų148.991%0.90684%0.836SS**SBendtrans7573.1-169.9-63.5154.5000115.5
450N25.1Very low26.7Very low168 Ų168147.4 Ų147.490%0.89884%0.842SS**  trans-150162.3132.6-110.1-16.3000109.2
451S25.4Very low26.7Very low117 Ų117142.4 Ų142.482%0.81884%0.836SS**  trans78.880.2-174.1-55.10000117.2
452E25.3Very low26.9Very low207 Ų207140.8 Ų140.897%0.96784%0.837SS**  -88.2136117.3-72.9-165.5123.300107.4
453G25.6Very low26.8Very low73 Ų73136.5 Ų136.575%0.75384%0.836SS**  trans167.6125.2-175.400000112.5
454S28.7Very low26.8Very low133 Ų133133 Ų13393%0.9384%0.836SS**  trans-54.5134.3179.849.20000113.8
455G24.9Very low26.8Very low75 Ų75134.6 Ų134.677%0.77384%0.837SS**  trans-148.994.217400000112.6
456S27.7Very low26.7Very low120 Ų120137.1 Ų137.184%0.83984%0.837SS**PPolyproline II helixtrans-69142.2163.139.60000110P458S456-P458 WeakPolarHBondContact O-CD 3.47Å
457R29.8Very low26.7Very low240 Ų240139.9 Ų139.991%0.90684%0.839SS**PPolyproline II helixtrans-79.4129.6174.6-76-178.9171.5177-4.1111.1
458P29.1Very low26.8Very low120 Ų120138.1 Ų138.178%0.77984%0.839SS**PPolyproline II helixtrans-83.3160.6146.835.3-31.3000110.5S456S456-P458 WeakPolarHBondContact O-CD 3.47Å
459T30.1Very low26.7Very low131 Ų131138.5 Ų138.580%0.80484%0.84SS**  trans-140.5135.7164.947.20000107.9
460D27.2Very low26.7Very low168 Ų168133.5 Ų133.590%0.89883%0.83SS**  trans-72139.9-171.4-73.4-59.1000114.7
461G25.7Very low27.3Very low65 Ų65131.6 Ų131.667%0.6783%0.827SS**  trans46.2112.7141.800000121.3
462S26.9Very low28.4Very low127 Ų127132.1 Ų132.189%0.88883%0.828SS**  -172.4120.1123.6-850000113.8
463G25Very low28.5Very low89 Ų89125.6 Ų125.692%0.91882%0.816SS**  trans73154.2152.300000119.1
464G25.4Very low28.6Very low81 Ų81128.4 Ų128.484%0.83582%0.818SS**  trans120.185.4166.700000115.7
465S26.3Very low28.5Very low100 Ų100130 Ų13070%0.69981%0.81SS**  trans-80.7143.2158.6177.30000109.7
466F25.7Very low28.5Very low197 Ų197131 Ų13186%0.86481%0.806SS**  trans-169.1161.1130.5-108.9-70.8000112.3
467H26.7Very low28.4Very low154 Ų154129.6 Ų129.671%0.71380%0.796SS**  trans-74.2161.6-174.8-51.6-75000113
468S28.7Very low28.3Very low119 Ų119129 Ų12983%0.83279%0.793SS**  -170.4165.383.6-74.20000116.5
469R26.6Very low28.2Very low252 Ų252127.8 Ų127.895%0.95179%0.788SS**  trans-57.3165.9172.8-56.8162177.8173.1-3.5112.1
470G25.3Very low28.1Very low68 Ų68129.8 Ų129.870%0.70179%0.788SS**  cis-171.2-16318.700000114.5
471P38.1Very low28.7Very low128 Ų128128 Ų12883%0.83179%0.786SS**  trans-123.6-145-150.235.7-13.7000114.8
472P48Very low29Very low128 Ų128131.3 Ų131.383%0.83179%0.793SS**  -133.7178.1-90.943.4-27.3000116.4
473G27Very low29Very low69 Ų69129.2 Ų129.271%0.71179%0.791SS**  trans159.1159.9158.700000115.2
474V27.9Very low29.1Very low132 Ų132137.3 Ų137.380%0.879%0.794SS**  cis-164.4158.1-8129.10000110.4
475H26.2Very low29.1Very low167 Ų167136.7 Ų136.777%0.77379%0.788SS**  trans76.498.9162.3-92-61.6000124.3
476S25.3Very low29.1Very low97 Ų97140.9 Ų140.968%0.67880%0.802SS**  50.1161120.162.10000125.5
477S26.1Very low29.3Very low89 Ų89139.4 Ų139.462%0.62280%0.797SS**  cis162.6163.2-33.3179.70000110.8
478W27.7Very low29.6Very low227 Ų227137.8 Ų137.886%0.8680%0.801SS**  trans77.4143.6168.4-51.389.9000117.4
479S26.4Very low29.6Very low96 Ų96141.4 Ų141.467%0.67180%0.797SS**  cis-167.6164.2-19.5-107.20000113.9
480E28.8Very low29.7Very low172 Ų172135 Ų13580%0.80479%0.788SS**  trans-80.9170.5162.1-61.6-174.5133.700113
481P39.9Very low29.6Very low130 Ų130140.1 Ų140.184%0.84479%0.794SS**  trans-136.5155.713238.1-27.3000115.3
482T30.7Very low28.9Very low136 Ų136139.9 Ų139.983%0.83480%0.795SS**  trans-101.5155.4-178.951.90000113.6
483G26.8Very low27.7Very low82 Ų82139.6 Ų139.685%0.84580%0.796SS**  trans-154.2123.4179.600000115.7
484R28.6Very low27.7Very low260 Ų260146.9 Ų146.998%0.98180%0.803SS**  trans-65157.3-172.2-54.3168.2172.9-171.2-3.9116.8
485G25.4Very low27.5Very low68 Ų68150.1 Ų150.170%0.70181%0.809SS**  134.9100.4115.900000122.6
486L25.7Very low27.5Very low188 Ų188148.7 Ų148.798%0.98481%0.805SS**  trans71168.3145-69.1162.4000121.5
487Q28.9Very low27.5Very low165 Ų165149.7 Ų149.777%0.77181%0.812SS**  trans-118.5177.5-157.3-106.4-176.8-700112.3
488P33.6Very low27.6Very low121 Ų121150 Ų15079%0.78682%0.821SS**  cis-144.7-169.932.243-21.1000118.7
489Y27.6Very low27.6Very low194 Ų194142.5 Ų142.576%0.76181%0.814SS**  trans-79.2164.3174.7-85.7-93.3000113.8
490P30.6Very low27.7Very low118 Ų118144 Ų14477%0.76682%0.819SS**  -123.6139.585.24.517.8000112.7
491E21.6Very low27.7Very low175 Ų175141.9 Ų141.982%0.81881%0.813SS**  62.3112.878.8-67.8-157140.200115.5
492S23.9Very low27.2Very low123 Ų123144.6 Ų144.686%0.8681%0.812SS**  trans-104.1120.8171.251.10000111.1
493S24.2Very low26.9Very low122 Ų122146.3 Ų146.385%0.85381%0.811SS**PPolyproline II helixtrans-96149.5173-74.30000111.7
494R26.6Very low27.4Very low223 Ų223147.9 Ų147.984%0.84281%0.806SS**PPolyproline II helixtrans-93.8152.9177.2-64.5172.2172.9156.9-4.5110.8I496R494-I496 HydrophobicContact CB-CG1 4.5Å
495E23.5Very low28Very low200 Ų200140.5 Ų140.594%0.93579%0.792SS**PPolyproline II helixtrans-103.5159.6148.5-71.5-163.5129.600110.8
496I26.3Very low28.2Very low136 Ų136146.2 Ų146.270%0.69780%0.8SS**  trans-141.4143.3-165.3-63.4174.3000110R494R494-I496 HydrophobicContact CB-CG1 4.5Å
497S24.3Very low28.4Very low118 Ų118142 Ų14283%0.82579%0.786SS**  trans-150.1114.6150.9-71.20000106.6
498A28.5Very low28.8Very low97 Ų97146.1 Ų146.180%0.80279%0.794SS**  76129.954.100000112.3
499G27.2Very low28.9Very low69 Ų69148.3 Ų148.371%0.71179%0.794SS**  cis-125.5-160-5.700000112
500T28.7Very low29.6Very low126 Ų126148 Ų14877%0.77380%0.8SS**  cis-163.9142.51.9-3.70000109.1
501D29.8Very low30Very low129 Ų129151.7 Ų151.769%0.6980%0.804SS**  trans48.7141.2143.4-62.45.9000122.2
502F27.8Very low31.2Very low186 Ų186154.3 Ų154.382%0.81681%0.806SS**  cis-145.8174.12.7-122.8-70.4000110.9
503Q25.3Very low32.6Very low173 Ų173157 Ų15781%0.80880%0.802SS**  trans-81.5179.7-174.8-101.7-177.8-24.700114.9
504P37.3Very low34.7Very low114 Ų114153.9 Ų153.974%0.7478%0.778SS**  cis-134.7-149.817.753.8-35.6000112.7
505P41.5Very low36.6Very low106 Ų106146.3 Ų146.369%0.68875%0.754SS**  trans-126.6144.3-139.337.2-15.3000117.9
506H29.6Very low38.6Very low188 Ų188141.9 Ų141.987%0.8773%0.729SS**  trans-133.8138.9166.3-85.8-79.1000115.6
507S29.3Very low40.4Very low99 Ų99140.2 Ų140.269%0.69272%0.721SS**  trans-26.8126.1168.845.30000117.1E509S507-E509 PolarHBondContact O-N 3.47Å
508R37.5Very low42.8Very low251 Ų251139.2 Ų139.295%0.94771%0.71SS**  trans-71.889.9162-86-176.1166.5177.5-3.5110.9Q510R508-Q510 PolarHBondContact O-N 3.4Å
509E35.6Very low45.3Very low167 Ų167135.1 Ų135.178%0.7868%0.675SS**  trans-68.6122.2156.9-71.9-164.8126.700109.8S507 K511S507-E509 PolarHBondContact O-N 3.47Å; E509-K511 PolarHBondContact O-N 3Å; E509-K511 VanDerWaalsContact O-N 3.07Å
510Q41.5Very low48Very low188 Ų188136.1 Ų136.188%0.87967%0.671SS**  trans-7592.7164.4-74.3-177.8-26.100108.7R508 R512R508-Q510 PolarHBondContact O-N 3.4Å; Q510-R512 PolarHBondContact O-N 2.88Å
511K39.2Very low50.8Low196 Ų196133.1 Ų133.185%0.85265%0.654SS**  trans-51.3114.6169.9-89.3-170.4172.8-176.20109.6E509 K513E509-K511 PolarHBondContact O-N 3Å; E509-K511 VanDerWaalsContact O-N 3.07Å; K511-K513 PolarHBondContact O-N 2.84Å
512R47.7Very low53.7Low230 Ų230127.1 Ų127.187%0.86862%0.622SS**PPolyproline II helixtrans-58129.7167.8-79.4177161.2174.4-5.7108.3Q510 T514Q510-R512 PolarHBondContact O-N 2.88Å; R512-T514 PolarHBondContact O-N 3.21Å
513K54.1Low56.6Low178 Ų178120.4 Ų120.477%0.77460%0.597SS**PPolyproline II helixtrans-58.3122169.3-67.6-172177.7-172.30108.9K511 D517K511-K513 PolarHBondContact O-N 2.84Å; K513-D517 HydrophobicContact CB-CB 4.41Å
514T68.2Low59.7Low57 Ų57112.1 Ų112.135%0.3556%0.559SS.*PPolyproline II helixtrans-80.3171.6175.969.90000110.2R512 R516 D517R512-T514 PolarHBondContact O-N 3.21Å; T514-R516 PolarHBondContact O-N 2.93Å; T514-R516 PolarHBondContact OG1-N 2.98Å; T514-D517 WeakPolarHBondContact CA-OD2 3.34Å; T514-D517 WeakPolarHBondContact CB-OD2 3.42Å; T514-D517 PolarHBondContact N-OD2 2.61Å; T514-D517 PolarHBondContact O-N 3.16Å; T514-D517 VanDerWaalsContact OG1-CG 3.29Å; T514-D517 PolarHBondContact OG1-OD2 3.37Å
515L64.9Low62Low64 Ų64110.7 Ų110.734%0.33554%0.542SS..SBendtrans-67.9-21.6174.3-73.9170.7000113D517 V519 W611 K612L515-D517 VanDerWaalsContact C-N 3.32Å; L515-V519 WeakPolarHBondContact O-CG2 3.26Å; L515-V519 PolarHBondContact O-N 3.32Å; L515-W611 HydrophobicContact CB-CB 3.91Å; L515-W611 HydrophobicContact CD1-CB 4.37Å; L515-K612 HydrophobicContact CD1-CG 3.52Å
516R65.5Low63.9Low107 Ų107110.3 Ų110.340%0.40453%0.527SS..THydrogen-bonded Turntrans-64.4-37.3172.2176.4175.8177.3-179.5-0111.8T514 V518 D604 W611T514-R516 PolarHBondContact O-N 2.93Å; T514-R516 PolarHBondContact OG1-N 2.98Å; R516-V518 PolarHBondContact O-N 3.28Å; R516-V518 VanDerWaalsContact O-N 3.1Å; R516-D604 IonicContact CZ-OD1 2.85Å; R516-D604 IonicContact NE-OD1 2.78Å; R516-D604 PolarHBondContact NE-OD1 3.14Å; R516-D604 PolarHBondContact NH1-O 2.91Å; R516-D604 VanDerWaalsContact NH2-CB 3.32Å; R516-D604 PolarHBondContact NH2-O 3.44Å; R516-D604 IonicContact NH2-OD1 3.83Å; R516-D604 PolarHBondContact NH2-OD1 3.44Å; R516-W611 HydrophobicContact CB-CD2 4.14Å; R516-W611 HydrophobicContact CB-CE3 4.22Å; R516-W611 HydrophobicContact CB-CH2 3.82Å; R516-W611 HydrophobicContact CB-CZ2 3.69Å; R516-W611 HydrophobicContact CB-CZ3 4.08Å; R516-W611 HydrophobicContact CG-CH2 3.65Å; R516-W611 HydrophobicContact CG-CZ2 3.64Å; R516-W611 HydrophobicContact CG-CZ3 4.3Å
517D64.7Low66.8Low101 Ų101102 Ų10254%0.5449%0.488SS..THydrogen-bonded Turntrans-754.2-176.9-51.2-52.6000114K513 T514 L515K513-D517 HydrophobicContact CB-CB 4.41Å; T514-D517 WeakPolarHBondContact CA-OD2 3.34Å; T514-D517 WeakPolarHBondContact CB-OD2 3.42Å; T514-D517 PolarHBondContact N-OD2 2.61Å; T514-D517 PolarHBondContact O-N 3.16Å; T514-D517 VanDerWaalsContact OG1-CG 3.29Å; T514-D517 PolarHBondContact OG1-OD2 3.37Å; L515-D517 VanDerWaalsContact C-N 3.32Å
518V75Confident69.6Low98 Ų98105.3 Ų105.359%0.59449%0.491SS*.THydrogen-bonded Turntrans-136-17-170-173.80000113.4R516R516-V518 PolarHBondContact O-N 3.28Å; R516-V518 VanDerWaalsContact O-N 3.1Å
519V80.9Confident72.1Confident11 Ų1197 Ų977%0.06747%0.469CS..  trans-121.884.2-168.9-175.80000110.8L515 Y603 Y614 Q615L515-V519 WeakPolarHBondContact O-CG2 3.26Å; L515-V519 PolarHBondContact O-N 3.32Å; V519-Y603 WeakPolarHBondContact O-CE2 3.4Å; V519-Y603 PolarHBondContact O-OH 3.02Å; V519-Y614 HydrophobicContact CG1-CD1 4.21Å; V519-Q615 HydrophobicContact CG1-CB 4.03Å; V519-Q615 HydrophobicContact CG1-CG 4.07Å; V519-Q615 HydrophobicContact CG2-CB 4.03Å; V519-Q615 HydrophobicContact CG2-CG 3.69Å
520S84.1Confident74.6Confident89 Ų8992.5 Ų92.562%0.62245%0.45SS*.PPolyproline II helixtrans-50153.5175.4-49.30000113L522S520-L522 PolarHBondContact O-N 2.78Å
521P87.7Confident77Confident64 Ų6487.5 Ų87.542%0.41642%0.423SS..PPolyproline II helixtrans-51.3137177.5-2734000112.7Y603 Y614P521-Y603 HydrophobicContact CB-CD2 4.24Å; P521-Y603 HydrophobicContact CB-CE2 4.29Å; P521-Y603 HydrophobicContact CG-CD1 4.1Å; P521-Y603 HydrophobicContact CG-CD2 3.89Å; P521-Y603 HydrophobicContact CG-CE1 3.98Å; P521-Y603 HydrophobicContact CG-CE2 3.74Å; P521-Y603 HydrophobicContact CG-CG 4.07Å; P521-Y614 VanDerWaalsContact CA-OH 3.3Å; P521-Y614 WeakPolarHBondContact CA-OH 3.4Å
522L89.8Confident79.5Confident2 Ų282.7 Ų82.71%0.0140%0.403CS..PPolyproline II helixtrans-69.9152.9174.570.174.3000110.3S520 V547 I567 D570 G571 Y614 A617 V621S520-L522 PolarHBondContact O-N 2.78Å; L522-V547 HydrophobicContact CD1-CB 4.37Å; L522-V547 HydrophobicContact CD1-CG2 3.78Å; L522-V547 HydrophobicContact CD2-CB 4.36Å; L522-V547 HydrophobicContact CD2-CG1 4.4Å; L522-V547 HydrophobicContact CD2-CG2 4.45Å; L522-I567 HydrophobicContact CD1-CG2 4.01Å; L522-I567 HydrophobicContact CD2-CB 4.43Å; L522-I567 HydrophobicContact CD2-CD1 3.85Å; L522-I567 HydrophobicContact CD2-CG2 3.91Å; L522-I567 HydrophobicContact CG-CG2 3.97Å; L522-D570 CarbonylContact O-C 3.55Å; L522-G571 VanDerWaalsContact O-CA 3.27Å; L522-G571 WeakPolarHBondContact O-CA 3.46Å; L522-G571 PolarHBondContact O-N 2.98Å; L522-G571 VanDerWaalsContact O-N 3.09Å; L522-Y614 PolarHBondContact N-OH 3.1Å; L522-A617 HydrophobicContact CD2-CB 3.64Å; L522-V621 HydrophobicContact CD1-CG2 4.39Å; L522-V621 HydrophobicContact CD2-CG2 4.31Å
523C89.8Confident81.5Confident45 Ų4576.3 Ų76.330%0.30438%0.382SS..  trans-140.8111.1176.31700000109.3H525 C569 V621 K625C523-H525 PolarHBondContact SG-ND1 3Å; C523-H525 VanDerWaalsContact SG-ND1 3.45Å; C523-C569 WeakPolarHBondContact CA-O 3.43Å; C523-V621 VanDerWaalsContact O-CG1 3.27Å; C523-V621 WeakPolarHBondContact O-CG1 3.44Å; C523-K625 WeakPolarHBondContact O-CE 3.4Å; C523-K625 PolarHBondContact O-NZ 3.42Å; C523-K625 VanDerWaalsContact O-NZ 3.16Å
524A90.1Very high83Confident0 Ų069.7 Ų69.70%036%0.356CS..  trans-1059.5-176.200000113.5L527 I541 G545 V547 C569 V621A524-L527 HydrophobicContact CB-CD1 4.22Å; A524-L527 WeakPolarHBondContact O-CB 3.35Å; A524-L527 WeakPolarHBondContact O-CG 3.31Å; A524-L527 PolarHBondContact O-N 2.8Å; A524-I541 HydrophobicContact CB-CG2 4.37Å; A524-G545 WeakPolarHBondContact CB-O 3.32Å; A524-V547 HydrophobicContact CB-CG2 3.56Å; A524-C569 PolarHBondContact N-O 2.82Å; A524-V621 HydrophobicContact CB-CG1 4.32Å; A524-V621 HydrophobicContact CB-CG2 4.4Å
525H85.1Confident83.9Confident84 Ų8476 Ų7639%0.38938%0.379SS..THydrogen-bonded Turntrans-49.8141.2172.9-73.877.1000112.2C523 L527 C569C523-H525 PolarHBondContact SG-ND1 3Å; C523-H525 VanDerWaalsContact SG-ND1 3.45Å; H525-L527 PolarHBondContact O-N 2.71Å; H525-C569 PolarHBondContact CE1-O 2.96Å; H525-C569 PolarHBondContact ND1-O 3.15Å
526R82.4Confident84.9Confident97 Ų9777.9 Ų77.937%0.36639%0.389SS..THydrogen-bonded Turntrans61.8-7.1-177.3-56.7-177.7-65.1-97.9-7.9116.3E644 F728R526-E644 IonicContact CZ-OE1 3.87Å; R526-E644 IonicContact CZ-OE2 2.69Å; R526-E644 IonicContact NE-OE1 2.62Å; R526-E644 PolarHBondContact NE-OE1 3.41Å; R526-E644 IonicContact NE-OE2 3.68Å; R526-E644 IonicContact NH2-OE1 2.81Å; R526-E644 PolarHBondContact NH2-OE1 3.41Å; R526-E644 IonicContact NH2-OE2 2.74Å; R526-E644 PolarHBondContact NH2-OE2 3.38Å; R526-F728 WeakPolarHBondContact CD-O 3.43Å
527L89.1Confident86.2Confident13 Ų1373.1 Ų73.17%0.06837%0.373CS..PPolyproline II helixtrans-70.5142.9175.2-57.3-175.7000110.8A524 H525 I541 V621 V624 K625 T628A524-L527 HydrophobicContact CB-CD1 4.22Å; A524-L527 WeakPolarHBondContact O-CB 3.35Å; A524-L527 WeakPolarHBondContact O-CG 3.31Å; A524-L527 PolarHBondContact O-N 2.8Å; H525-L527 PolarHBondContact O-N 2.71Å; L527-I541 HydrophobicContact CB-CD1 3.94Å; L527-I541 HydrophobicContact CD1-CD1 3.63Å; L527-I541 HydrophobicContact CG-CD1 4.45Å; L527-V621 HydrophobicContact CD1-CG1 3.98Å; L527-V624 HydrophobicContact CD1-CB 4.29Å; L527-V624 HydrophobicContact CD1-CG1 4.02Å; L527-V624 HydrophobicContact CD2-CG1 4.23Å; L527-V624 HydrophobicContact CG-CG1 4.49Å; L527-K625 HydrophobicContact CD1-CG 4Å; L527-K625 HydrophobicContact CD2-CG 3.94Å; L527-K625 HydrophobicContact CG-CG 4.46Å; L527-T628 HydrophobicContact CD2-CG2 4.09Å
528K87.9Confident87.6Confident170 Ų17068.4 Ų68.474%0.73935%0.347SS*.PPolyproline II helixtrans-79.8150.9177.4-66.8-176.3179.3-179.80110.6I530K528-I530 PolarHBondContact O-N 3.25Å
529P90.2Very high88.5Confident77 Ų7763.8 Ų63.850%0.532%0.319SS..PPolyproline II helixtrans-55.5132.2175.3-26.535.9000112I541 E543P529-I541 VanDerWaalsContact CA-O 3.27Å; P529-I541 WeakPolarHBondContact CA-O 3.31Å; P529-E543 HydrophobicContact CB-CG 4.4Å; P529-E543 HydrophobicContact CG-CB 4.42Å; P529-E543 HydrophobicContact CG-CG 3.81Å
530I89.4Confident89.1Confident71 Ų7163.3 Ų63.336%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-152.8138.9-177.3-176.7169.5000108.8K528 S540 I541 F620 V624K528-I530 PolarHBondContact O-N 3.25Å; I530-S540 CarbonylContact O-C 3.57Å; I530-S540 VanDerWaalsContact O-CA 3.25Å; I530-S540 WeakPolarHBondContact O-CA 3.49Å; I530-I541 HydrophobicContact CG2-CB 4.03Å; I530-I541 HydrophobicContact CG2-CD1 3.87Å; I530-I541 HydrophobicContact CG2-CG1 3.82Å; I530-I541 PolarHBondContact N-O 2.91Å; I530-I541 VanDerWaalsContact N-O 3.15Å; I530-I541 PolarHBondContact O-N 2.71Å; I530-F620 HydrophobicContact CG2-CZ 4.25Å; I530-V624 HydrophobicContact CG2-CG1 4.46Å; I530-V624 HydrophobicContact CG2-CG2 4.23Å
531R90.9Very high89.6Confident83 Ų8359.2 Ų59.231%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-127.9118.1178.3-174.7154.6-174.6-105.45.2110.5V538 S540 E550 L588 D589R531-V538 HydrophobicContact CG-CG1 3.58Å; R531-S540 WeakPolarHBondContact CD-OG 3.36Å; R531-S540 VanDerWaalsContact CG-OG 3.27Å; R531-S540 WeakPolarHBondContact CG-OG 3.48Å; R531-S540 PolarHBondContact NE-OG 3.25Å; R531-E550 IonicContact CZ-OE1 3.23Å; R531-E550 IonicContact CZ-OE2 2.7Å; R531-E550 VanDerWaalsContact CZ-OE2 3.27Å; R531-E550 IonicContact NE-OE2 3.62Å; R531-E550 PolarHBondContact NE-OE2 3.25Å; R531-E550 IonicContact NH2-OE1 2.9Å; R531-E550 PolarHBondContact NH2-OE1 3Å; R531-E550 IonicContact NH2-OE2 2.74Å; R531-E550 PolarHBondContact NH2-OE2 3.43Å; R531-L588 PolarHBondContact NH1-O 2.86Å; R531-L588 PolarHBondContact NH2-O 3.49Å; R531-D589 PolarHBondContact NH1-O 3.23Å
532Q91.1Very high89.8Confident96 Ų9658.2 Ų58.245%0.44928%0.279SS..EExtended strand (participates in β ladder)trans-119.8112.8-175.1-178.358.763.600110.6V538 V539 F620Q532-V538 WeakPolarHBondContact O-CA 3.5Å; Q532-V539 PolarHBondContact N-O 3Å; Q532-V539 PolarHBondContact O-N 3.02Å; Q532-F620 HydrophobicContact CB-CE2 3.54Å; Q532-F620 HydrophobicContact CB-CZ 3.84Å; Q532-F620 HydrophobicContact CG-CE2 4.02Å
533K90.1Very high89.6Confident96 Ų9666.5 Ų66.542%0.41732%0.318SS..EExtended strand (participates in β ladder)trans-78.8144.3170.8176.6171.3173.8-173.90111.1V538 E559 L587K533-V538 HydrophobicContact CB-CG1 4.45Å; K533-V538 HydrophobicContact CB-CG2 4.02Å; K533-V538 HydrophobicContact CG-CG2 4.02Å; K533-E559 WeakPolarHBondContact CE-OE1 3.37Å; K533-E559 WeakPolarHBondContact CE-OE2 3.23Å; K533-E559 IonicContact NZ-OE1 3.4Å; K533-E559 PolarHBondContact NZ-OE1 3Å; K533-E559 IonicContact NZ-OE2 3.63Å; K533-E559 PolarHBondContact NZ-OE2 2.76Å; K533-L587 HydrophobicContact CD-CD2 4.2Å
534T87.1Confident89.6Confident38 Ų3868.7 Ų68.723%0.23333%0.33CS..  trans-131.6-179.6172.378.50000109.1N536 A537T534-N536 VanDerWaalsContact C-N 3.32Å; T534-N536 PolarHBondContact O-N 3.14Å; T534-A537 WeakPolarHBondContact CA-O 3.48Å; T534-A537 WeakPolarHBondContact CB-O 3.45Å; T534-A537 PolarHBondContact N-O 3.35Å; T534-A537 PolarHBondContact OG1-N 2.97Å; T534-A537 PolarHBondContact OG1-O 2.89Å
535K85.4Confident89.4Confident189 Ų18969.3 Ų69.382%0.82234%0.336SS*.SBendtrans-60.7-37.6-177.3-167.8-174.1176.4178.70113.5
536N87.5Confident89.8Confident105 Ų10567.8 Ų67.856%0.56133%0.329SS*.SBendtrans-122.7-1.6-170.3-61.23.6000113.3T534 L552T534-N536 VanDerWaalsContact C-N 3.32Å; T534-N536 PolarHBondContact O-N 3.14Å; N536-L552 PolarHBondContact O-N 3.38Å
537A92.3Very high90.4Very high6 Ų663.1 Ų63.15%0.0531%0.312CS..EExtended strand (participates in β ladder)trans-156.3152.4-176.900000111.5T534 M549 E550 L551T534-A537 WeakPolarHBondContact CA-O 3.48Å; T534-A537 WeakPolarHBondContact CB-O 3.45Å; T534-A537 PolarHBondContact N-O 3.35Å; T534-A537 PolarHBondContact OG1-N 2.97Å; T534-A537 PolarHBondContact OG1-O 2.89Å; A537-M549 HydrophobicContact CB-CG 4.36Å; A537-E550 CarbonylContact C-O 3.56Å; A537-E550 VanDerWaalsContact CA-O 3.25Å; A537-E550 WeakPolarHBondContact CA-O 3.49Å; A537-L551 HydrophobicContact CB-CD2 4.05Å
538V92.9Very high90.7Very high2 Ų262.5 Ų62.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-109133.3158.5-170.80000108.3R531 Q532 K533 M549 E550 L552 L587R531-V538 HydrophobicContact CG-CG1 3.58Å; Q532-V538 WeakPolarHBondContact O-CA 3.5Å; K533-V538 HydrophobicContact CB-CG1 4.45Å; K533-V538 HydrophobicContact CB-CG2 4.02Å; K533-V538 HydrophobicContact CG-CG2 4.02Å; V538-M549 CarbonylContact O-C 3.59Å; V538-M549 WeakPolarHBondContact O-CA 3.5Å; V538-E550 HydrophobicContact CB-CB 4.23Å; V538-E550 PolarHBondContact N-O 2.95Å; V538-E550 PolarHBondContact O-N 3.4Å; V538-L552 HydrophobicContact CG2-CD1 4.09Å; V538-L552 HydrophobicContact CG2-CD2 4.39Å; V538-L552 HydrophobicContact CG2-CG 4.5Å; V538-L587 HydrophobicContact CG2-CD1 3.87Å; V538-L587 HydrophobicContact CG2-CD2 3.85Å
539V95Very high91Very high1 Ų154.6 Ų54.61%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-116.1129.6175.2-1650000108.8Q532 V547 C548 M549 Y616 F620Q532-V539 PolarHBondContact N-O 3Å; Q532-V539 PolarHBondContact O-N 3.02Å; V539-V547 HydrophobicContact CG1-CG1 4.06Å; V539-C548 CarbonylContact C-O 3.5Å; V539-C548 WeakPolarHBondContact CA-O 3.4Å; V539-M549 HydrophobicContact CG2-CE 3.98Å; V539-M549 HydrophobicContact CG2-CG 4.35Å; V539-Y616 HydrophobicContact CG2-CD1 4.16Å; V539-Y616 HydrophobicContact CG2-CE1 3.96Å; V539-F620 HydrophobicContact CB-CD1 3.92Å; V539-F620 HydrophobicContact CB-CE1 4.06Å; V539-F620 HydrophobicContact CB-CG 4.17Å; V539-F620 HydrophobicContact CB-CZ 4.46Å; V539-F620 HydrophobicContact CG1-CB 4.36Å; V539-F620 HydrophobicContact CG1-CD1 3.35Å; V539-F620 HydrophobicContact CG1-CE1 3.74Å; V539-F620 HydrophobicContact CG1-CG 3.92Å
540S94Very high91.3Very high2 Ų250.9 Ų50.91%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-127.7134.2-174.5-47.90000110.3I530 R531 V547 C548I530-S540 CarbonylContact O-C 3.57Å; I530-S540 VanDerWaalsContact O-CA 3.25Å; I530-S540 WeakPolarHBondContact O-CA 3.49Å; R531-S540 WeakPolarHBondContact CD-OG 3.36Å; R531-S540 VanDerWaalsContact CG-OG 3.27Å; R531-S540 WeakPolarHBondContact CG-OG 3.48Å; R531-S540 PolarHBondContact NE-OG 3.25Å; S540-V547 CarbonylContact O-C 3.5Å; S540-V547 WeakPolarHBondContact O-CA 3.23Å; S540-C548 PolarHBondContact N-O 3.42Å; S540-C548 PolarHBondContact O-N 3.1Å
541I94.3Very high91.4Very high3 Ų349 Ų492%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-94.9126.9156.8-49.8-176.6000106.5A524 L527 P529 I530 E546 V547 F620 V624A524-I541 HydrophobicContact CB-CG2 4.37Å; L527-I541 HydrophobicContact CB-CD1 3.94Å; L527-I541 HydrophobicContact CD1-CD1 3.63Å; L527-I541 HydrophobicContact CG-CD1 4.45Å; P529-I541 VanDerWaalsContact CA-O 3.27Å; P529-I541 WeakPolarHBondContact CA-O 3.31Å; I530-I541 HydrophobicContact CG2-CB 4.03Å; I530-I541 HydrophobicContact CG2-CD1 3.87Å; I530-I541 HydrophobicContact CG2-CG1 3.82Å; I530-I541 PolarHBondContact N-O 2.91Å; I530-I541 VanDerWaalsContact N-O 3.15Å; I530-I541 PolarHBondContact O-N 2.71Å; I541-E546 WeakPolarHBondContact CA-O 3.5Å; I541-V547 HydrophobicContact CG1-CG2 4.5Å; I541-F620 HydrophobicContact CG1-CE1 4.1Å; I541-V624 HydrophobicContact CD1-CB 4.42Å; I541-V624 HydrophobicContact CD1-CG1 4.17Å; I541-V624 HydrophobicContact CD1-CG2 4.38Å
542L90.8Very high91.5Very high43 Ų4346 Ų4623%0.22523%0.231CC..  trans-91.6169.9-174.5-54.9-173000112T544 G545 E546 C548 P591L542-T544 WeakPolarHBondContact CB-OG1 3.5Å; L542-T544 PolarHBondContact O-N 2.74Å; L542-G545 PolarHBondContact O-N 3.43Å; L542-E546 HydrophobicContact CD1-CB 4.3Å; L542-E546 PolarHBondContact N-O 3.29Å; L542-C548 HydrophobicContact CD1-CB 4.2Å; L542-C548 HydrophobicContact CD2-CB 4.4Å; L542-C548 HydrophobicContact CG-CB 4.36Å; L542-P591 HydrophobicContact CD2-CG 4.01Å
543E87.2Confident91.3Very high176 Ų17648.1 Ų48.182%0.82224%0.238SC*.THydrogen-bonded Turntrans-61-22.9172.7-71.5169-16000112.8P529 G545P529-E543 HydrophobicContact CB-CG 4.4Å; P529-E543 HydrophobicContact CG-CB 4.42Å; P529-E543 HydrophobicContact CG-CG 3.81Å; E543-G545 VanDerWaalsContact C-N 3.3Å
544T88.3Confident90.8Very high91 Ų9147.6 Ų47.656%0.55825%0.247SC*.THydrogen-bonded Turntrans-78.3-7.7171.451.90000114.1L542 E546L542-T544 WeakPolarHBondContact CB-OG1 3.5Å; L542-T544 PolarHBondContact O-N 2.74Å; T544-E546 VanDerWaalsContact CB-OE2 3.26Å; T544-E546 WeakPolarHBondContact CB-OE2 3.39Å; T544-E546 PolarHBondContact O-N 3.4Å; T544-E546 WeakPolarHBondContact OG1-CG 3.43Å; T544-E546 PolarHBondContact OG1-OE2 3.09Å
545G87.1Confident90.3Very high13 Ų1350 Ų5013%0.13426%0.255CS..SBendtrans77.9-1-171.200000114.6A524 L542 E543 C569A524-G545 WeakPolarHBondContact CB-O 3.32Å; L542-G545 PolarHBondContact O-N 3.43Å; E543-G545 VanDerWaalsContact C-N 3.3Å; G545-C569 WeakPolarHBondContact O-CA 3.37Å; G545-C569 VanDerWaalsContact O-CB 3.31Å; G545-C569 WeakPolarHBondContact O-CB 3.41Å
546E93.4Very high89.8Confident51 Ų5148.7 Ų48.724%0.23826%0.258CS..  trans-68.4151.5173.5-65.417093.600111.7I541 L542 T544 Q566 I567I541-E546 WeakPolarHBondContact CA-O 3.5Å; L542-E546 HydrophobicContact CD1-CB 4.3Å; L542-E546 PolarHBondContact N-O 3.29Å; T544-E546 VanDerWaalsContact CB-OE2 3.26Å; T544-E546 WeakPolarHBondContact CB-OE2 3.39Å; T544-E546 PolarHBondContact O-N 3.4Å; T544-E546 WeakPolarHBondContact OG1-CG 3.43Å; T544-E546 PolarHBondContact OG1-OE2 3.09Å; E546-Q566 PolarHBondContact OE1-NE2 2.99Å; E546-I567 CarbonylContact C-O 3.47Å; E546-I567 WeakPolarHBondContact CA-O 3.34Å; E546-I567 WeakPolarHBondContact CB-O 3.03Å
547V95.3Very high89Confident0 Ų047.1 Ų47.10%027%0.266CS..EExtended strand (participates in β ladder)trans-109.8106.1179.7-174.80000109.6L522 A524 V539 S540 I541 I567 A617 V621L522-V547 HydrophobicContact CD1-CB 4.37Å; L522-V547 HydrophobicContact CD1-CG2 3.78Å; L522-V547 HydrophobicContact CD2-CB 4.36Å; L522-V547 HydrophobicContact CD2-CG1 4.4Å; L522-V547 HydrophobicContact CD2-CG2 4.45Å; A524-V547 HydrophobicContact CB-CG2 3.56Å; V539-V547 HydrophobicContact CG1-CG1 4.06Å; S540-V547 CarbonylContact O-C 3.5Å; S540-V547 WeakPolarHBondContact O-CA 3.23Å; I541-V547 HydrophobicContact CG1-CG2 4.5Å; V547-I567 HydrophobicContact CB-CB 4.35Å; V547-I567 PolarHBondContact N-O 3.2Å; V547-I567 WeakPolarHBondContact O-CB 3.45Å; V547-I567 PolarHBondContact O-N 2.86Å; V547-A617 HydrophobicContact CG1-CB 4.27Å; V547-V621 HydrophobicContact CG1-CG2 4.13Å; V547-V621 HydrophobicContact CG2-CG2 3.74Å
548C95Very high88.3Confident0 Ų052.2 Ų52.20%029%0.289CS..EExtended strand (participates in β ladder)trans-102.6124-177.7-176.70000111.6V539 S540 L542 V564 L565 P591V539-C548 CarbonylContact C-O 3.5Å; V539-C548 WeakPolarHBondContact CA-O 3.4Å; S540-C548 PolarHBondContact N-O 3.42Å; S540-C548 PolarHBondContact O-N 3.1Å; L542-C548 HydrophobicContact CD1-CB 4.2Å; L542-C548 HydrophobicContact CD2-CB 4.4Å; L542-C548 HydrophobicContact CG-CB 4.36Å; C548-V564 WeakPolarHBondContact SG-CG1 3.12Å; C548-L565 CarbonylContact C-O 3.53Å; C548-L565 WeakPolarHBondContact CA-O 3.26Å; C548-P591 HydrophobicContact CB-CG 4.07Å; C548-P591 VanDerWaalsContact SG-CB 3.53Å
549M94.8Very high88Confident3 Ų355.5 Ų55.52%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-111.4109.6175.6-179.7177-59.300111A537 V538 V539 L551 V564 L565 K613 Y616 A617A537-M549 HydrophobicContact CB-CG 4.36Å; V538-M549 CarbonylContact O-C 3.59Å; V538-M549 WeakPolarHBondContact O-CA 3.5Å; V539-M549 HydrophobicContact CG2-CE 3.98Å; V539-M549 HydrophobicContact CG2-CG 4.35Å; M549-L551 HydrophobicContact CG-CD2 4.04Å; M549-L551 HydrophobicContact CG-CG 4.31Å; M549-L551 HydrophobicContact SD-CD2 3.88Å; M549-V564 WeakPolarHBondContact O-CA 3.46Å; M549-L565 HydrophobicContact CB-CB 4.38Å; M549-L565 PolarHBondContact N-O 3.02Å; M549-L565 PolarHBondContact O-N 3.34Å; M549-K613 VanDerWaalsContact CE-O 3.3Å; M549-K613 WeakPolarHBondContact CE-O 3.13Å; M549-K613 HydrophobicContact SD-CB 4Å; M549-Y616 HydrophobicContact CE-CD1 3.75Å; M549-Y616 HydrophobicContact CE-CG 4.4Å; M549-A617 HydrophobicContact CE-CB 3.83Å
550E94.9Very high87.7Confident0 Ų058.6 Ų58.60%032%0.316CS..EExtended strand (participates in β ladder)trans-93.2107.3178-57.9165.573.200109.3R531 A537 V538 V561 L587 P591R531-E550 IonicContact CZ-OE1 3.23Å; R531-E550 IonicContact CZ-OE2 2.7Å; R531-E550 VanDerWaalsContact CZ-OE2 3.27Å; R531-E550 IonicContact NE-OE2 3.62Å; R531-E550 PolarHBondContact NE-OE2 3.25Å; R531-E550 IonicContact NH2-OE1 2.9Å; R531-E550 PolarHBondContact NH2-OE1 3Å; R531-E550 IonicContact NH2-OE2 2.74Å; R531-E550 PolarHBondContact NH2-OE2 3.43Å; A537-E550 CarbonylContact C-O 3.56Å; A537-E550 VanDerWaalsContact CA-O 3.25Å; A537-E550 WeakPolarHBondContact CA-O 3.49Å; V538-E550 HydrophobicContact CB-CB 4.23Å; V538-E550 PolarHBondContact N-O 2.95Å; V538-E550 PolarHBondContact O-N 3.4Å; E550-V561 HydrophobicContact CB-CG1 3.88Å; E550-V561 HydrophobicContact CB-CG2 4.07Å; E550-V561 HydrophobicContact CG-CG1 4.47Å; E550-L587 WeakPolarHBondContact OE1-CD1 3.31Å; E550-P591 HydrophobicContact CG-CB 4.25Å
551L92.6Very high87.6Confident31 Ų3158.5 Ų58.516%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-85121.3-175.7-66.1168.9000111.4A537 M549 V561 K562 E563 L565 K613A537-L551 HydrophobicContact CB-CD2 4.05Å; M549-L551 HydrophobicContact CG-CD2 4.04Å; M549-L551 HydrophobicContact CG-CG 4.31Å; M549-L551 HydrophobicContact SD-CD2 3.88Å; L551-V561 WeakPolarHBondContact O-CA 3.37Å; L551-K562 PolarHBondContact O-N 3.28Å; L551-E563 HydrophobicContact CB-CB 4.42Å; L551-E563 WeakPolarHBondContact CB-O 3.35Å; L551-E563 HydrophobicContact CD1-CB 4.18Å; L551-E563 HydrophobicContact CD1-CG 4.34Å; L551-E563 VanDerWaalsContact CD1-OE2 3.25Å; L551-E563 WeakPolarHBondContact CD1-OE2 3.3Å; L551-E563 PolarHBondContact N-O 3.21Å; L551-L565 HydrophobicContact CD1-CD1 3.76Å; L551-K613 HydrophobicContact CD1-CD 3.77Å; L551-K613 HydrophobicContact CD1-CG 4.36Å
552L91.6Very high87.3Confident21 Ų2160.2 Ų60.211%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-94.4133.3-173.2-53-178.5000111.4N536 V538 R560 V561 L587N536-L552 PolarHBondContact O-N 3.38Å; V538-L552 HydrophobicContact CG2-CD1 4.09Å; V538-L552 HydrophobicContact CG2-CD2 4.39Å; V538-L552 HydrophobicContact CG2-CG 4.5Å; L552-R560 WeakPolarHBondContact CA-O 3.23Å; L552-V561 HydrophobicContact CD2-CG2 3.92Å; L552-L587 HydrophobicContact CD1-CD2 4.29Å; L552-L587 HydrophobicContact CD2-CD1 4.02Å; L552-L587 HydrophobicContact CD2-CD2 4.21Å
553K87.9Confident87.4Confident139 Ų13959.3 Ų59.360%0.60432%0.317SS*.EExtended strand (participates in β ladder)trans-124129.9163.6-166170-176.5173.80109R560 K562K553-R560 PolarHBondContact N-O 3.26Å; K553-R560 PolarHBondContact O-N 2.83Å; K553-K562 HydrophobicContact CB-CG 3.64Å; K553-K562 HydrophobicContact CD-CG 4.5Å
554S80.3Confident87.7Confident86 Ų8650.9 Ų50.960%0.60128%0.278SS*.EExtended strand (participates in β ladder)trans-71.8129.1169.4-1750000109.4Q558S554-Q558 WeakPolarHBondContact CA-O 3.43Å
555Q75.1Confident88Confident87 Ų8746.6 Ų46.641%0.40725%0.251SS..EExtended strand (participates in β ladder)trans-139.8121.3174.2-171.8169.1-3.100107.9G557 Q558Q555-G557 PolarHBondContact O-N 3.09Å; Q555-Q558 PolarHBondContact N-O 3.08Å; Q555-Q558 PolarHBondContact O-N 3.44Å
556N74.7Confident88.4Confident163 Ų16347.6 Ų47.687%0.87225%0.252SS*.THydrogen-bonded Turntrans53.537.3-176.3-55.58.9000113.5Q558N556-Q558 VanDerWaalsContact C-N 3.25Å; N556-Q558 PolarHBondContact O-N 3.06Å
557G72.7Confident88.5Confident72 Ų7245.2 Ų45.274%0.74224%0.241SC*.THydrogen-bonded Turntrans78.8-3.1-178.800000115.4Q555Q555-G557 PolarHBondContact O-N 3.09Å
558Q76.3Confident88.4Confident112 Ų11246.3 Ų46.352%0.52325%0.249SC..EExtended strand (participates in β ladder)trans-102.9134.3173-67.6-173.4-24.900111.1S554 Q555 N556S554-Q558 WeakPolarHBondContact CA-O 3.43Å; Q555-Q558 PolarHBondContact N-O 3.08Å; Q555-Q558 PolarHBondContact O-N 3.44Å; N556-Q558 VanDerWaalsContact C-N 3.25Å; N556-Q558 PolarHBondContact O-N 3.06Å
559E87.1Confident88.2Confident72 Ų7248.1 Ų48.134%0.33626%0.261SS..EExtended strand (participates in β ladder)trans-72.4130.7167.3-65.4171.8166.400110.3K533K533-E559 WeakPolarHBondContact CE-OE1 3.37Å; K533-E559 WeakPolarHBondContact CE-OE2 3.23Å; K533-E559 IonicContact NZ-OE1 3.4Å; K533-E559 PolarHBondContact NZ-OE1 3Å; K533-E559 IonicContact NZ-OE2 3.63Å; K533-E559 PolarHBondContact NZ-OE2 2.76Å
560R88.9Confident88Confident65 Ų6551.3 Ų51.325%0.24528%0.278CS..EExtended strand (participates in β ladder)trans-126.6136.1173.7-69179.6175.5-103.5-9.1111.2L552 K553 K562 G584 L585L552-R560 WeakPolarHBondContact CA-O 3.23Å; K553-R560 PolarHBondContact N-O 3.26Å; K553-R560 PolarHBondContact O-N 2.83Å; R560-K562 PolarHBondContact O-N 2.69Å; R560-G584 PolarHBondContact NH1-O 3.06Å; R560-L585 CarbonylContact C-O 3.51Å; R560-L585 WeakPolarHBondContact CA-O 3.27Å; R560-L585 WeakPolarHBondContact CB-O 3.4Å
561V90.8Very high87.9Confident0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-69.6112.4167.2-174.60000107.1E550 L551 L552 V564 P579 G584 L585 L587 P592E550-V561 HydrophobicContact CB-CG1 3.88Å; E550-V561 HydrophobicContact CB-CG2 4.07Å; E550-V561 HydrophobicContact CG-CG1 4.47Å; L551-V561 WeakPolarHBondContact O-CA 3.37Å; L552-V561 HydrophobicContact CD2-CG2 3.92Å; V561-V564 HydrophobicContact CG1-CG2 3.55Å; V561-P579 HydrophobicContact CG1-CG 4.11Å; V561-G584 CarbonylContact O-C 3.58Å; V561-G584 WeakPolarHBondContact O-CA 3.38Å; V561-L585 PolarHBondContact N-O 3.4Å; V561-L585 PolarHBondContact O-N 3.45Å; V561-L585 VanDerWaalsContact O-N 3.11Å; V561-L587 HydrophobicContact CG2-CD1 3.73Å; V561-P592 HydrophobicContact CB-CG 4.41Å; V561-P592 HydrophobicContact CG1-CG 4.14Å
562K89.4Confident87.8Confident40 Ų4051.9 Ų51.917%0.17429%0.285CS..EExtended strand (participates in β ladder)trans-97.4-31.6-178.3-75.4-69.8-174.8-179.40113.1L551 K553 R560 Q578 G582 K583L551-K562 PolarHBondContact O-N 3.28Å; K553-K562 HydrophobicContact CB-CG 3.64Å; K553-K562 HydrophobicContact CD-CG 4.5Å; R560-K562 PolarHBondContact O-N 2.69Å; K562-Q578 WeakPolarHBondContact O-CA 3.42Å; K562-G582 WeakPolarHBondContact CD-O 3.38Å; K562-G582 PolarHBondContact NZ-O 3.49Å; K562-G582 VanDerWaalsContact NZ-O 3.08Å; K562-K583 PolarHBondContact NZ-O 2.89Å
563E92.3Very high87.9Confident23 Ų2354.9 Ų54.911%0.10730%0.299CS..EExtended strand (participates in β ladder)trans-149.3144.2-175.8-173.1179.4-119.700107.6L551 L565 I576 Y577 Q578 Y610 K613L551-E563 HydrophobicContact CB-CB 4.42Å; L551-E563 WeakPolarHBondContact CB-O 3.35Å; L551-E563 HydrophobicContact CD1-CB 4.18Å; L551-E563 HydrophobicContact CD1-CG 4.34Å; L551-E563 VanDerWaalsContact CD1-OE2 3.25Å; L551-E563 WeakPolarHBondContact CD1-OE2 3.3Å; L551-E563 PolarHBondContact N-O 3.21Å; E563-L565 HydrophobicContact CG-CD1 4.34Å; E563-I576 HydrophobicContact CG-CG2 4.26Å; E563-Y577 CarbonylContact C-O 3.55Å; E563-Y577 WeakPolarHBondContact CA-O 3.44Å; E563-Q578 HydrophobicContact CB-CG 4.32Å; E563-Q578 HydrophobicContact CG-CG 4.23Å; E563-Y610 WeakPolarHBondContact OE1-CE1 3.45Å; E563-Y610 PolarHBondContact OE1-OH 3.12Å; E563-K613 IonicContact OE2-NZ 2.85Å; E563-K613 PolarHBondContact OE2-NZ 2.81Å
564V93.4Very high88.2Confident0 Ų048.2 Ų48.20%027%0.27CS..EExtended strand (participates in β ladder)trans-126.7137.1177.6-175.90000108.7C548 M549 V561 I576 Y577 P579 P592C548-V564 WeakPolarHBondContact SG-CG1 3.12Å; M549-V564 WeakPolarHBondContact O-CA 3.46Å; V561-V564 HydrophobicContact CG1-CG2 3.55Å; V564-I576 WeakPolarHBondContact O-CA 3.48Å; V564-Y577 HydrophobicContact CB-CD1 4.4Å; V564-Y577 HydrophobicContact CB-CD2 4.01Å; V564-Y577 HydrophobicContact CB-CE1 4.06Å; V564-Y577 HydrophobicContact CB-CE2 3.62Å; V564-Y577 HydrophobicContact CB-CG 4.39Å; V564-Y577 HydrophobicContact CG1-CE1 4.01Å; V564-Y577 HydrophobicContact CG1-CE2 4.04Å; V564-Y577 HydrophobicContact CG2-CD2 4.27Å; V564-Y577 HydrophobicContact CG2-CE2 3.8Å; V564-Y577 PolarHBondContact N-O 3.5Å; V564-Y577 PolarHBondContact O-N 2.98Å; V564-Y577 VanDerWaalsContact O-N 3.08Å; V564-P579 HydrophobicContact CG2-CG 4.23Å; V564-P592 HydrophobicContact CG2-CG 4.22Å
565L94.9Very high88.8Confident0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-114.2112.2166.7-73.571.5000107.8C548 M549 L551 E563 I576 Y610 K613C548-L565 CarbonylContact C-O 3.53Å; C548-L565 WeakPolarHBondContact CA-O 3.26Å; M549-L565 HydrophobicContact CB-CB 4.38Å; M549-L565 PolarHBondContact N-O 3.02Å; M549-L565 PolarHBondContact O-N 3.34Å; L551-L565 HydrophobicContact CD1-CD1 3.76Å; E563-L565 HydrophobicContact CG-CD1 4.34Å; L565-I576 HydrophobicContact CD1-CG2 4.29Å; L565-I576 HydrophobicContact CG-CD1 4.4Å; L565-I576 HydrophobicContact CG-CG1 4.21Å; L565-I576 HydrophobicContact CG-CG2 4.31Å; L565-Y610 HydrophobicContact CD1-CD1 4.17Å; L565-Y610 HydrophobicContact CD1-CE1 4.28Å; L565-Y610 HydrophobicContact CD2-CD1 4Å; L565-Y610 HydrophobicContact CG-CD1 4.34Å; L565-K613 HydrophobicContact CD1-CD 4.17Å; L565-K613 HydrophobicContact CD2-CB 3.78Å; L565-K613 HydrophobicContact CD2-CD 4.24Å
566Q94.4Very high89.7Confident34 Ų3441.7 Ų41.716%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-103110.5174.6179171.4-15.200108.2E546 T575 Y577E546-Q566 PolarHBondContact OE1-NE2 2.99Å; Q566-T575 PolarHBondContact N-O 3.39Å; Q566-T575 PolarHBondContact O-N 3.36Å; Q566-Y577 HydrophobicContact CB-CE1 4.22Å; Q566-Y577 PolarHBondContact OE1-OH 3.34Å
567I95.4Very high90.5Very high1 Ų134.1 Ų34.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-105.9137-173.2-55.3164.7000108.7L522 E546 V547 M573 V574 Y614 A617L522-I567 HydrophobicContact CD1-CG2 4.01Å; L522-I567 HydrophobicContact CD2-CB 4.43Å; L522-I567 HydrophobicContact CD2-CD1 3.85Å; L522-I567 HydrophobicContact CD2-CG2 3.91Å; L522-I567 HydrophobicContact CG-CG2 3.97Å; E546-I567 CarbonylContact C-O 3.47Å; E546-I567 WeakPolarHBondContact CA-O 3.34Å; E546-I567 WeakPolarHBondContact CB-O 3.03Å; V547-I567 HydrophobicContact CB-CB 4.35Å; V547-I567 PolarHBondContact N-O 3.2Å; V547-I567 WeakPolarHBondContact O-CB 3.45Å; V547-I567 PolarHBondContact O-N 2.86Å; I567-M573 WeakPolarHBondContact CA-O 3.43Å; I567-V574 HydrophobicContact CG1-CG1 4.04Å; I567-V574 HydrophobicContact CG1-CG2 4.22Å; I567-V574 HydrophobicContact CG2-CG2 4.33Å; I567-Y614 HydrophobicContact CD1-CD2 3.9Å; I567-Y614 HydrophobicContact CD1-CE2 4.18Å; I567-Y614 HydrophobicContact CG1-CD2 4.42Å; I567-Y614 HydrophobicContact CG1-CE2 4.47Å; I567-Y614 HydrophobicContact CG2-CE2 3.81Å; I567-A617 HydrophobicContact CD1-CB 3.57Å
568S94.4Very high91.3Very high23 Ų2335.4 Ų35.416%0.16118%0.178CC..  trans-63160.7177.759.30000113D570 G571 S572 M573S568-D570 WeakPolarHBondContact CB-OD1 3.39Å; S568-D570 PolarHBondContact O-N 3.06Å; S568-D570 PolarHBondContact OG-OD1 2.85Å; S568-G571 PolarHBondContact O-N 3.36Å; S568-G571 PolarHBondContact OG-N 2.85Å; S568-S572 PolarHBondContact OG-N 3.49Å; S568-S572 VanDerWaalsContact OG-N 3.16Å; S568-M573 PolarHBondContact N-O 2.83Å; S568-M573 PolarHBondContact OG-N 3.32Å; S568-M573 PolarHBondContact OG-O 3.4Å
569C91.3Very high91.7Very high38 Ų3830.3 Ų30.326%0.25716%0.155SC..THydrogen-bonded Turntrans-66.1-20.9-176.359.20000114.6C523 A524 H525 G545C523-C569 WeakPolarHBondContact CA-O 3.43Å; A524-C569 PolarHBondContact N-O 2.82Å; H525-C569 PolarHBondContact CE1-O 2.96Å; H525-C569 PolarHBondContact ND1-O 3.15Å; G545-C569 WeakPolarHBondContact O-CA 3.37Å; G545-C569 VanDerWaalsContact O-CB 3.31Å; G545-C569 WeakPolarHBondContact O-CB 3.41Å
570D89.8Confident91.6Very high70 Ų7031.3 Ų31.337%0.37416%0.162SC..THydrogen-bonded Turntrans-97.1-1.1171.868.1-22.6000113.4L522 S568 S572L522-D570 CarbonylContact O-C 3.55Å; S568-D570 WeakPolarHBondContact CB-OD1 3.39Å; S568-D570 PolarHBondContact O-N 3.06Å; S568-D570 PolarHBondContact OG-OD1 2.85Å; D570-S572 PolarHBondContact O-N 3.09Å; D570-S572 PolarHBondContact OD1-N 3.5Å; D570-S572 PolarHBondContact OD1-OG 3.49Å; D570-S572 VanDerWaalsContact OD1-OG 3.05Å; D570-S572 VanDerWaalsContact OD2-CB 3.23Å; D570-S572 WeakPolarHBondContact OD2-CB 3.23Å; D570-S572 PolarHBondContact OD2-OG 3.42Å
571G92.1Very high91Very high0 Ų031.5 Ų31.50%019%0.185CC..SBendtrans72.6-1.9179.400000115.9L522 S568 Y614L522-G571 VanDerWaalsContact O-CA 3.27Å; L522-G571 WeakPolarHBondContact O-CA 3.46Å; L522-G571 PolarHBondContact O-N 2.98Å; L522-G571 VanDerWaalsContact O-N 3.09Å; S568-G571 PolarHBondContact O-N 3.36Å; S568-G571 PolarHBondContact OG-N 2.85Å; G571-Y614 VanDerWaalsContact CA-OH 3.29Å; G571-Y614 WeakPolarHBondContact CA-OH 3.42Å; G571-Y614 PolarHBondContact O-OH 3.36Å
572S92.3Very high90.3Very high43 Ų4332.5 Ų32.530%0.30120%0.195SC..  trans-75.8-22.3-171.2690000114.6S568 D570 S602 Y603S568-S572 PolarHBondContact OG-N 3.49Å; S568-S572 VanDerWaalsContact OG-N 3.16Å; D570-S572 PolarHBondContact O-N 3.09Å; D570-S572 PolarHBondContact OD1-N 3.5Å; D570-S572 PolarHBondContact OD1-OG 3.49Å; D570-S572 VanDerWaalsContact OD1-OG 3.05Å; D570-S572 VanDerWaalsContact OD2-CB 3.23Å; D570-S572 WeakPolarHBondContact OD2-CB 3.23Å; D570-S572 PolarHBondContact OD2-OG 3.42Å; S572-S602 CarbonylContact O-C 3.58Å; S572-S602 WeakPolarHBondContact O-CA 3.31Å; S572-Y603 PolarHBondContact O-N 3.32Å
573M93Very high89.9Confident84 Ų8437.8 Ų37.841%0.41422%0.218SC..EExtended strand (participates in β ladder)trans-127.1140.1-177.7-63.9-65.1-75.200110.7I567 S568 I600I567-M573 WeakPolarHBondContact CA-O 3.43Å; S568-M573 PolarHBondContact N-O 2.83Å; S568-M573 PolarHBondContact OG-N 3.32Å; S568-M573 PolarHBondContact OG-O 3.4Å; M573-I600 HydrophobicContact CE-CG2 3.5Å
574V94.4Very high89.3Confident0 Ų036.7 Ų36.70%021%0.213CC..EExtended strand (participates in β ladder)trans-132.6109.2-178.1-172.50000109.6I567 I576 C601 L606 Y614I567-V574 HydrophobicContact CG1-CG1 4.04Å; I567-V574 HydrophobicContact CG1-CG2 4.22Å; I567-V574 HydrophobicContact CG2-CG2 4.33Å; V574-I576 HydrophobicContact CG1-CD1 4.02Å; V574-I576 HydrophobicContact CG1-CG1 3.77Å; V574-C601 PolarHBondContact N-O 3.41Å; V574-C601 PolarHBondContact O-N 3.47Å; V574-L606 HydrophobicContact CB-CD1 4.03Å; V574-L606 HydrophobicContact CG1-CD1 3.97Å; V574-L606 HydrophobicContact CG2-CD1 4.19Å; V574-Y614 HydrophobicContact CG2-CD2 3.87Å; V574-Y614 HydrophobicContact CG2-CE2 3.75Å
575T93.3Very high88.9Confident29 Ų2939.5 Ų39.518%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-92.8122.8174.3-57.70000109.4Q566 Y577 I598 I600Q566-T575 PolarHBondContact N-O 3.39Å; Q566-T575 PolarHBondContact O-N 3.36Å; T575-Y577 HydrophobicContact CG2-CD1 4.14Å; T575-Y577 HydrophobicContact CG2-CE1 4.37Å; T575-I598 HydrophobicContact CG2-CB 4.15Å; T575-I598 HydrophobicContact CG2-CD1 4.45Å; T575-I598 HydrophobicContact CG2-CG2 4.23Å; T575-I600 HydrophobicContact CG2-CG1 4.18Å
576I93.2Very high88.4Confident6 Ų642.5 Ų42.53%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-123.3129.2-173-46.1-176.6000109.8E563 V564 L565 V574 L599 L606 Y610E563-I576 HydrophobicContact CG-CG2 4.26Å; V564-I576 WeakPolarHBondContact O-CA 3.48Å; L565-I576 HydrophobicContact CD1-CG2 4.29Å; L565-I576 HydrophobicContact CG-CD1 4.4Å; L565-I576 HydrophobicContact CG-CG1 4.21Å; L565-I576 HydrophobicContact CG-CG2 4.31Å; V574-I576 HydrophobicContact CG1-CD1 4.02Å; V574-I576 HydrophobicContact CG1-CG1 3.77Å; I576-L599 HydrophobicContact CB-CB 4.34Å; I576-L599 PolarHBondContact N-O 2.85Å; I576-L599 PolarHBondContact O-N 3.33Å; I576-L606 HydrophobicContact CD1-CD1 3.97Å; I576-Y610 HydrophobicContact CD1-CD1 3.92Å; I576-Y610 HydrophobicContact CD1-CD2 3.45Å; I576-Y610 VanDerWaalsContact CD1-CD2 3.45Å; I576-Y610 HydrophobicContact CD1-CE1 4.04Å; I576-Y610 HydrophobicContact CD1-CE2 3.55Å; I576-Y610 HydrophobicContact CD1-CG 3.66Å; I576-Y610 HydrophobicContact CG2-CE1 3.8Å; I576-Y610 HydrophobicContact CG2-CE2 4.38Å
577Y91.8Very high87.9Confident5 Ų543.1 Ų43.12%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-149.9158.1-178.351.9-83.5000113.1E563 V564 Q566 T575 P592 P594 I598E563-Y577 CarbonylContact C-O 3.55Å; E563-Y577 WeakPolarHBondContact CA-O 3.44Å; V564-Y577 HydrophobicContact CB-CD1 4.4Å; V564-Y577 HydrophobicContact CB-CD2 4.01Å; V564-Y577 HydrophobicContact CB-CE1 4.06Å; V564-Y577 HydrophobicContact CB-CE2 3.62Å; V564-Y577 HydrophobicContact CB-CG 4.39Å; V564-Y577 HydrophobicContact CG1-CE1 4.01Å; V564-Y577 HydrophobicContact CG1-CE2 4.04Å; V564-Y577 HydrophobicContact CG2-CD2 4.27Å; V564-Y577 HydrophobicContact CG2-CE2 3.8Å; V564-Y577 PolarHBondContact N-O 3.5Å; V564-Y577 PolarHBondContact O-N 2.98Å; V564-Y577 VanDerWaalsContact O-N 3.08Å; Q566-Y577 HydrophobicContact CB-CE1 4.22Å; Q566-Y577 PolarHBondContact OE1-OH 3.34Å; T575-Y577 HydrophobicContact CG2-CD1 4.14Å; T575-Y577 HydrophobicContact CG2-CE1 4.37Å; Y577-P592 HydrophobicContact CE2-CB 4.47Å; Y577-P592 PolarHBondContact OH-O 3.36Å; Y577-P594 HydrophobicContact CD1-CB 4.16Å; Y577-P594 HydrophobicContact CE1-CB 3.98Å; Y577-P594 HydrophobicContact CE2-CB 4.44Å; Y577-P594 HydrophobicContact CG-CB 4.47Å; Y577-I598 HydrophobicContact CD1-CG2 4.44Å
578Q90.1Very high87.4Confident99 Ų9948.2 Ų48.246%0.46328%0.278SS..  trans-114.696177.3-65.8-17014.800110.2K562 E563 N580 G581 G582K562-Q578 WeakPolarHBondContact O-CA 3.42Å; E563-Q578 HydrophobicContact CB-CG 4.32Å; E563-Q578 HydrophobicContact CG-CG 4.23Å; Q578-N580 PolarHBondContact O-N 3.36Å; Q578-G581 PolarHBondContact O-N 2.86Å; Q578-G581 VanDerWaalsContact O-N 3.12Å; Q578-G582 PolarHBondContact O-N 3Å
579P84.2Confident86.7Confident4 Ų454.3 Ų54.33%0.02631%0.309CS..THydrogen-bonded Turntrans-60136.5-174.825.1-35.2000111.6V561 V564 G581 G584 L585 P592V561-P579 HydrophobicContact CG1-CG 4.11Å; V564-P579 HydrophobicContact CG2-CG 4.23Å; P579-G581 VanDerWaalsContact C-N 3.35Å; P579-G584 WeakPolarHBondContact O-CA 3.42Å; P579-G584 PolarHBondContact O-N 2.69Å; P579-L585 HydrophobicContact CB-CD1 3.87Å; P579-L585 HydrophobicContact CB-CG 4.08Å; P579-P592 HydrophobicContact CB-CB 4Å; P579-P592 HydrophobicContact CB-CG 4.28Å; P579-P592 HydrophobicContact CG-CB 4.37Å; P579-P592 HydrophobicContact CG-CG 4.18Å
580N83.8Confident86.1Confident93 Ų9361.7 Ų61.750%0.49733%0.331SS..THydrogen-bonded Turntrans5644.2-172.9-169.616.4000112.9Q578 G582 K583 L585Q578-N580 PolarHBondContact O-N 3.36Å; N580-G582 PolarHBondContact O-N 2.85Å; N580-K583 VanDerWaalsContact O-CB 3.22Å; N580-K583 WeakPolarHBondContact O-CB 3.43Å; N580-K583 PolarHBondContact O-N 3.38Å; N580-L585 HydrophobicContact CB-CD2 3.95Å; N580-L585 HydrophobicContact CB-CG 4.24Å
581G77.3Confident85.7Confident70 Ų7059.8 Ų59.872%0.72232%0.323SS*.THydrogen-bonded Turntrans55.145.4173.600000113.7Q578 P579 K583Q578-G581 PolarHBondContact O-N 2.86Å; Q578-G581 VanDerWaalsContact O-N 3.12Å; P579-G581 VanDerWaalsContact C-N 3.35Å; G581-K583 PolarHBondContact O-N 3.26Å
582G76.8Confident85.4Confident20 Ų2060.6 Ų60.621%0.20633%0.328CS..THydrogen-bonded Turntrans70.4-7.8-177.300000115.5K562 Q578 N580 G584K562-G582 WeakPolarHBondContact CD-O 3.38Å; K562-G582 PolarHBondContact NZ-O 3.49Å; K562-G582 VanDerWaalsContact NZ-O 3.08Å; Q578-G582 PolarHBondContact O-N 3Å; N580-G582 PolarHBondContact O-N 2.85Å; G582-G584 PolarHBondContact O-N 2.8Å
583K79.1Confident84.8Confident151 Ų15162.5 Ų62.566%0.65735%0.346SS*.THydrogen-bonded Turntrans-66.9-29.9170.1-59.3175.9-178.1171.10110.5K562 N580 G581K562-K583 PolarHBondContact NZ-O 2.89Å; N580-K583 VanDerWaalsContact O-CB 3.22Å; N580-K583 WeakPolarHBondContact O-CB 3.43Å; N580-K583 PolarHBondContact O-N 3.38Å; G581-K583 PolarHBondContact O-N 3.26Å
584G80.1Confident84.2Confident0 Ų061.6 Ų61.60%035%0.347CS..  trans79.3140.7168.100000114.1R560 V561 P579 G582R560-G584 PolarHBondContact NH1-O 3.06Å; V561-G584 CarbonylContact O-C 3.58Å; V561-G584 WeakPolarHBondContact O-CA 3.38Å; P579-G584 WeakPolarHBondContact O-CA 3.42Å; P579-G584 PolarHBondContact O-N 2.69Å; G582-G584 PolarHBondContact O-N 2.8Å
585L84.6Confident83.5Confident59 Ų5964.1 Ų64.131%0.30936%0.363SS..EExtended strand (participates in β ladder)trans-91.4152.5-179-66.3176.6000111.2R560 V561 P579 N580 P592R560-L585 CarbonylContact C-O 3.51Å; R560-L585 WeakPolarHBondContact CA-O 3.27Å; R560-L585 WeakPolarHBondContact CB-O 3.4Å; V561-L585 PolarHBondContact N-O 3.4Å; V561-L585 PolarHBondContact O-N 3.45Å; V561-L585 VanDerWaalsContact O-N 3.11Å; P579-L585 HydrophobicContact CB-CD1 3.87Å; P579-L585 HydrophobicContact CB-CG 4.08Å; N580-L585 HydrophobicContact CB-CD2 3.95Å; N580-L585 HydrophobicContact CB-CG 4.24Å; L585-P592 HydrophobicContact CD1-CB 4.13Å; L585-P592 HydrophobicContact CD1-CG 4.37Å
586P85Confident82.5Confident64 Ų6472.1 Ų72.142%0.41640%0.399SS..EExtended strand (participates in β ladder)trans-53.5147.5163.4-20.733.1000110.6L588P586-L588 PolarHBondContact O-N 2.92Å
587L84.8Confident81.5Confident47 Ų4778.9 Ų78.925%0.24644%0.435CS..PPolyproline II helixtrans-66.1127.2174.1-176.260000110.4K533 V538 E550 L552 V561K533-L587 HydrophobicContact CD-CD2 4.2Å; V538-L587 HydrophobicContact CG2-CD1 3.87Å; V538-L587 HydrophobicContact CG2-CD2 3.85Å; E550-L587 WeakPolarHBondContact OE1-CD1 3.31Å; L552-L587 HydrophobicContact CD1-CD2 4.29Å; L552-L587 HydrophobicContact CD2-CD1 4.02Å; L552-L587 HydrophobicContact CD2-CD2 4.21Å; V561-L587 HydrophobicContact CG2-CD1 3.73Å
588L84.4Confident81.2Confident107 Ų10782.1 Ų82.156%0.5645%0.452SS*.  trans-110.4177177.7-61.3179.6000111R531 P586 R590R531-L588 PolarHBondContact NH1-O 2.86Å; R531-L588 PolarHBondContact NH2-O 3.49Å; P586-L588 PolarHBondContact O-N 2.92Å; L588-R590 VanDerWaalsContact C-N 3.29Å; L588-R590 PolarHBondContact O-N 3.5Å
589D78.7Confident81.1Confident151 Ų15181.1 Ų81.181%0.80745%0.449SS*.SBendtrans-73.1-20.1177.1-64.7-43.4000113.8R531R531-D589 PolarHBondContact NH1-O 3.23Å
590R79.3Confident81.4Confident193 Ų19385.1 Ų85.173%0.72847%0.469SS*.SBendtrans-123153.8175.7-64.3-179174.5-160-8.6109.3L588L588-R590 VanDerWaalsContact C-N 3.29Å; L588-R590 PolarHBondContact O-N 3.5Å
591P82.4Confident81.8Confident31 Ų3181.2 Ų81.220%0.20145%0.449CS..PPolyproline II helixtrans-56.9152.1172.9-23.633.7000112.5L542 C548 E550L542-P591 HydrophobicContact CD2-CG 4.01Å; C548-P591 HydrophobicContact CB-CG 4.07Å; C548-P591 VanDerWaalsContact SG-CB 3.53Å; E550-P591 HydrophobicContact CG-CB 4.25Å
592P84.3Confident82.5Confident16 Ų1679.3 Ų79.310%0.10443%0.425CS..PPolyproline II helixtrans-55.4147.6165.2-22.934.7000111.1V561 V564 Y577 P579 L585V561-P592 HydrophobicContact CB-CG 4.41Å; V561-P592 HydrophobicContact CG1-CG 4.14Å; V564-P592 HydrophobicContact CG2-CG 4.22Å; Y577-P592 HydrophobicContact CE2-CB 4.47Å; Y577-P592 PolarHBondContact OH-O 3.36Å; P579-P592 HydrophobicContact CB-CB 4Å; P579-P592 HydrophobicContact CB-CG 4.28Å; P579-P592 HydrophobicContact CG-CB 4.37Å; P579-P592 HydrophobicContact CG-CG 4.18Å; L585-P592 HydrophobicContact CD1-CB 4.13Å; L585-P592 HydrophobicContact CD1-CG 4.37Å
593A80Confident83.1Confident83 Ų8379.7 Ų79.769%0.68642%0.42SS*.PPolyproline II helixtrans-70.3149.8166.400000110.3
594P81Confident83.5Confident65 Ų6576.3 Ų76.342%0.42241%0.409SS..PPolyproline II helixtrans-60.2138.2168.624.2-32.3000110.9Y577 I598Y577-P594 HydrophobicContact CD1-CB 4.16Å; Y577-P594 HydrophobicContact CE1-CB 3.98Å; Y577-P594 HydrophobicContact CE2-CB 4.44Å; Y577-P594 HydrophobicContact CG-CB 4.47Å; P594-I598 HydrophobicContact CB-CG2 3.77Å
595P79.9Confident84Confident54 Ų5482 Ų8235%0.35144%0.44SS..  trans-77.7-170.7168.436.9-36.5000110.5I598P595-I598 WeakPolarHBondContact O-CG2 3.31Å
596E71.9Confident84.2Confident197 Ų19779.5 Ų79.592%0.92143%0.427SS*.SBendtrans-72.6-38.4173.3-64.6174.5179.800112I598E596-I598 PolarHBondContact O-N 2.9Å; E596-I598 VanDerWaalsContact O-N 3.07Å
597D71.7Confident84.5Confident148 Ų14878.7 Ų78.779%0.79142%0.421SS*.  trans-75.889.9172.2-79.2-41.2000111.8
598I86.6Confident84.7Confident72 Ų7284.1 Ų84.137%0.36945%0.446SS..  trans-116.7134.8174.456.2-179.7000112.4T575 Y577 P594 P595 E596 I600T575-I598 HydrophobicContact CG2-CB 4.15Å; T575-I598 HydrophobicContact CG2-CD1 4.45Å; T575-I598 HydrophobicContact CG2-CG2 4.23Å; Y577-I598 HydrophobicContact CD1-CG2 4.44Å; P594-I598 HydrophobicContact CB-CG2 3.77Å; P595-I598 WeakPolarHBondContact O-CG2 3.31Å; E596-I598 PolarHBondContact O-N 2.9Å; E596-I598 VanDerWaalsContact O-N 3.07Å; I598-I600 HydrophobicContact CD1-CD1 3.82Å; I598-I600 HydrophobicContact CD1-CG1 4.05Å; I598-I600 HydrophobicContact CG1-CD1 4.43Å; I598-I600 HydrophobicContact CG1-CG1 4.26Å
599L87.7Confident85Confident78 Ų7886 Ų8641%0.40845%0.449SS..EExtended strand (participates in β ladder)trans-94.1103.9166.7173.563.2000108.6I576 Y610I576-L599 HydrophobicContact CB-CB 4.34Å; I576-L599 PolarHBondContact N-O 2.85Å; I576-L599 PolarHBondContact O-N 3.33Å; L599-Y610 HydrophobicContact CD2-CE2 4.42Å
600I91Very high85.6Confident89 Ų8979.2 Ų79.246%0.45641%0.412SS..EExtended strand (participates in β ladder)trans-92.8124.7170.5-56.7175.9000108.3M573 T575 I598M573-I600 HydrophobicContact CE-CG2 3.5Å; T575-I600 HydrophobicContact CG2-CG1 4.18Å; I598-I600 HydrophobicContact CD1-CD1 3.82Å; I598-I600 HydrophobicContact CD1-CG1 4.05Å; I598-I600 HydrophobicContact CG1-CD1 4.43Å; I598-I600 HydrophobicContact CG1-CG1 4.26Å
601C91.1Very high86.2Confident11 Ų1170.6 Ų70.67%0.07438%0.38CS..EExtended strand (participates in β ladder)trans-119.6150.1171.9-60.20000110.3V574 L606V574-C601 PolarHBondContact N-O 3.41Å; V574-C601 PolarHBondContact O-N 3.47Å; C601-L606 HydrophobicContact CB-CD1 4.42Å
602S92Very high86.6Confident30 Ų3077 Ų7721%0.2140%0.404CS..EExtended strand (participates in β ladder)trans-70165.2157.981.90000109.8S572 D604 D605 L606S572-S602 CarbonylContact O-C 3.58Å; S572-S602 WeakPolarHBondContact O-CA 3.31Å; S602-D604 PolarHBondContact O-N 3.5Å; S602-D604 PolarHBondContact OG-N 2.94Å; S602-D605 WeakPolarHBondContact CB-OD2 3.26Å; S602-D605 PolarHBondContact O-N 2.85Å; S602-D605 WeakPolarHBondContact OG-CB 3.44Å; S602-D605 VanDerWaalsContact OG-CG 3.23Å; S602-D605 PolarHBondContact OG-N 3.37Å; S602-D605 PolarHBondContact OG-OD2 2.92Å; S602-L606 PolarHBondContact O-N 2.82Å; S602-L606 VanDerWaalsContact O-N 3.13Å
603Y89.9Confident87Confident28 Ų2878.8 Ų78.811%0.1141%0.41CS..SBendtrans-55.4-40.4168.3163.5-89.6000111.7V519 P521 S572 L606 W611 Y614V519-Y603 WeakPolarHBondContact O-CE2 3.4Å; V519-Y603 PolarHBondContact O-OH 3.02Å; P521-Y603 HydrophobicContact CB-CD2 4.24Å; P521-Y603 HydrophobicContact CB-CE2 4.29Å; P521-Y603 HydrophobicContact CG-CD1 4.1Å; P521-Y603 HydrophobicContact CG-CD2 3.89Å; P521-Y603 HydrophobicContact CG-CE1 3.98Å; P521-Y603 HydrophobicContact CG-CE2 3.74Å; P521-Y603 HydrophobicContact CG-CG 4.07Å; S572-Y603 PolarHBondContact O-N 3.32Å; Y603-L606 WeakPolarHBondContact O-CB 3.31Å; Y603-W611 HydrophobicContact CD1-CH2 4.45Å; Y603-W611 AromaticContact CD2-CH2 3.91Å; Y603-W611 HydrophobicContact CD2-CH2 3.91Å; Y603-W611 HydrophobicContact CD2-CZ3 4.3Å; Y603-W611 HydrophobicContact CE1-CH2 4.1Å; Y603-W611 AromaticContact CE2-CH2 3.53Å; Y603-W611 HydrophobicContact CE2-CH2 3.53Å; Y603-W611 AromaticContact CE2-CZ3 3.64Å; Y603-W611 HydrophobicContact CE2-CZ3 3.64Å; Y603-W611 HydrophobicContact CG-CH2 4.36Å; Y603-W611 AromaticContact CZ-CH2 3.62Å; Y603-W611 AromaticContact CZ-CZ3 3.94Å; Y603-W611 WeakPolarHBondContact O-CH2 3.19Å; Y603-W611 WeakPolarHBondContact O-CZ2 3.41Å; Y603-Y614 HydrophobicContact CD2-CE1 4.03Å; Y603-Y614 HydrophobicContact CD2-CE2 4.33Å; Y603-Y614 AromaticContact CD2-CZ 3.76Å; Y603-Y614 HydrophobicContact CE2-CE1 4.02Å
604D87.8Confident87.6Confident79 Ų7974.8 Ų74.842%0.42238%0.378SS..THydrogen-bonded Turntrans-76-28.9-177.9-81.7-67.8000113.6R516 S602R516-D604 IonicContact CZ-OD1 2.85Å; R516-D604 IonicContact NE-OD1 2.78Å; R516-D604 PolarHBondContact NE-OD1 3.14Å; R516-D604 PolarHBondContact NH1-O 2.91Å; R516-D604 VanDerWaalsContact NH2-CB 3.32Å; R516-D604 PolarHBondContact NH2-O 3.44Å; R516-D604 IonicContact NH2-OD1 3.83Å; R516-D604 PolarHBondContact NH2-OD1 3.44Å; S602-D604 PolarHBondContact O-N 3.5Å; S602-D604 PolarHBondContact OG-N 2.94Å
605D89.7Confident88.2Confident120 Ų12073.9 Ų73.964%0.64237%0.368SS*.THydrogen-bonded Turntrans-95.64.5179.6-55.4-58.8000113S602 P607S602-D605 WeakPolarHBondContact CB-OD2 3.26Å; S602-D605 PolarHBondContact O-N 2.85Å; S602-D605 WeakPolarHBondContact OG-CB 3.44Å; S602-D605 VanDerWaalsContact OG-CG 3.23Å; S602-D605 PolarHBondContact OG-N 3.37Å; S602-D605 PolarHBondContact OG-OD2 2.92Å; D605-P607 VanDerWaalsContact O-CD 3.29Å; D605-P607 WeakPolarHBondContact O-CD 3.21Å
606L90.1Very high88.8Confident7 Ų776.5 Ų76.54%0.03737%0.372CS..  trans-60120.4-177.5-175.968.3000111V574 I576 C601 S602 Y603 Y610 W611 Y614V574-L606 HydrophobicContact CB-CD1 4.03Å; V574-L606 HydrophobicContact CG1-CD1 3.97Å; V574-L606 HydrophobicContact CG2-CD1 4.19Å; I576-L606 HydrophobicContact CD1-CD1 3.97Å; C601-L606 HydrophobicContact CB-CD1 4.42Å; S602-L606 PolarHBondContact O-N 2.82Å; S602-L606 VanDerWaalsContact O-N 3.13Å; Y603-L606 WeakPolarHBondContact O-CB 3.31Å; L606-Y610 HydrophobicContact CD1-CD2 4.47Å; L606-Y610 HydrophobicContact CD1-CG 4.42Å; L606-W611 HydrophobicContact CB-CZ2 3.97Å; L606-W611 HydrophobicContact CD2-CD2 4.13Å; L606-W611 HydrophobicContact CD2-CG 4.36Å; L606-W611 HydrophobicContact CD2-CZ2 4.31Å; L606-W611 PolarHBondContact O-NE1 2.62Å; L606-Y614 HydrophobicContact CD2-CD2 3.95Å; L606-Y614 HydrophobicContact CD2-CG 4.07Å
607P91.3Very high89.8Confident46 Ų4667.1 Ų67.130%0.29933%0.328SS..  trans-61.9142.3-177.5-26.234.2000113.3D605 K609 Y610D605-P607 VanDerWaalsContact O-CD 3.29Å; D605-P607 WeakPolarHBondContact O-CD 3.21Å; P607-K609 HydrophobicContact CB-CG 4.45Å; P607-K609 PolarHBondContact O-N 2.9Å; P607-Y610 HydrophobicContact CB-CD2 4.03Å; P607-Y610 HydrophobicContact CB-CE2 4.45Å; P607-Y610 HydrophobicContact CG-CD2 4.21Å; P607-Y610 HydrophobicContact CG-CE2 4.47Å; P607-Y610 PolarHBondContact O-N 2.91Å
608E88Confident90.8Very high162 Ų16260.8 Ų60.876%0.75730%0.295SS*.Hα-helixtrans-47-40-172.5-67.7-155.4145.200114.5Y610 W611E608-Y610 PolarHBondContact O-N 2.83Å; E608-W611 PolarHBondContact O-N 2.91Å
609K90.5Very high91.1Very high147 Ų14763.5 Ų63.564%0.63930%0.304SS*.Hα-helixtrans-58.9-14.2178.370.9-175.2-176.4-178.50115P607P607-K609 HydrophobicContact CB-CG 4.45Å; P607-K609 PolarHBondContact O-N 2.9Å
610Y91.8Very high91.3Very high8 Ų860.9 Ų60.93%0.03129%0.289CS..Hα-helixtrans-102.2-17.1-180-64.9-64.9000114.7E563 L565 I576 L599 L606 P607 E608 K612 K613 Y614E563-Y610 WeakPolarHBondContact OE1-CE1 3.45Å; E563-Y610 PolarHBondContact OE1-OH 3.12Å; L565-Y610 HydrophobicContact CD1-CD1 4.17Å; L565-Y610 HydrophobicContact CD1-CE1 4.28Å; L565-Y610 HydrophobicContact CD2-CD1 4Å; L565-Y610 HydrophobicContact CG-CD1 4.34Å; I576-Y610 HydrophobicContact CD1-CD1 3.92Å; I576-Y610 HydrophobicContact CD1-CD2 3.45Å; I576-Y610 VanDerWaalsContact CD1-CD2 3.45Å; I576-Y610 HydrophobicContact CD1-CE1 4.04Å; I576-Y610 HydrophobicContact CD1-CE2 3.55Å; I576-Y610 HydrophobicContact CD1-CG 3.66Å; I576-Y610 HydrophobicContact CG2-CE1 3.8Å; I576-Y610 HydrophobicContact CG2-CE2 4.38Å; L599-Y610 HydrophobicContact CD2-CE2 4.42Å; L606-Y610 HydrophobicContact CD1-CD2 4.47Å; L606-Y610 HydrophobicContact CD1-CG 4.42Å; P607-Y610 HydrophobicContact CB-CD2 4.03Å; P607-Y610 HydrophobicContact CB-CE2 4.45Å; P607-Y610 HydrophobicContact CG-CD2 4.21Å; P607-Y610 HydrophobicContact CG-CE2 4.47Å; P607-Y610 PolarHBondContact O-N 2.91Å; E608-Y610 PolarHBondContact O-N 2.83Å; Y610-K612 VanDerWaalsContact C-N 3.32Å; Y610-K612 PolarHBondContact O-N 3.05Å; Y610-K613 HydrophobicContact CD1-CD 3.75Å; Y610-K613 HydrophobicContact CE1-CD 4.4Å; Y610-K613 WeakPolarHBondContact O-CA 3.49Å; Y610-K613 WeakPolarHBondContact O-CB 3.48Å; Y610-K613 PolarHBondContact O-N 2.84Å; Y610-Y614 PolarHBondContact O-N 2.88Å
611W91.3Very high91.5Very high12 Ų1256.7 Ų56.75%0.04527%0.268CS..Hα-helixtrans-61.9-33.9-175.6-78.484.1000114.4L515 R516 Y603 L606 E608 K613 Y614 Q615L515-W611 HydrophobicContact CB-CB 3.91Å; L515-W611 HydrophobicContact CD1-CB 4.37Å; R516-W611 HydrophobicContact CB-CD2 4.14Å; R516-W611 HydrophobicContact CB-CE3 4.22Å; R516-W611 HydrophobicContact CB-CH2 3.82Å; R516-W611 HydrophobicContact CB-CZ2 3.69Å; R516-W611 HydrophobicContact CB-CZ3 4.08Å; R516-W611 HydrophobicContact CG-CH2 3.65Å; R516-W611 HydrophobicContact CG-CZ2 3.64Å; R516-W611 HydrophobicContact CG-CZ3 4.3Å; Y603-W611 HydrophobicContact CD1-CH2 4.45Å; Y603-W611 AromaticContact CD2-CH2 3.91Å; Y603-W611 HydrophobicContact CD2-CH2 3.91Å; Y603-W611 HydrophobicContact CD2-CZ3 4.3Å; Y603-W611 HydrophobicContact CE1-CH2 4.1Å; Y603-W611 AromaticContact CE2-CH2 3.53Å; Y603-W611 HydrophobicContact CE2-CH2 3.53Å; Y603-W611 AromaticContact CE2-CZ3 3.64Å; Y603-W611 HydrophobicContact CE2-CZ3 3.64Å; Y603-W611 HydrophobicContact CG-CH2 4.36Å; Y603-W611 AromaticContact CZ-CH2 3.62Å; Y603-W611 AromaticContact CZ-CZ3 3.94Å; Y603-W611 WeakPolarHBondContact O-CH2 3.19Å; Y603-W611 WeakPolarHBondContact O-CZ2 3.41Å; L606-W611 HydrophobicContact CB-CZ2 3.97Å; L606-W611 HydrophobicContact CD2-CD2 4.13Å; L606-W611 HydrophobicContact CD2-CG 4.36Å; L606-W611 HydrophobicContact CD2-CZ2 4.31Å; L606-W611 PolarHBondContact O-NE1 2.62Å; E608-W611 PolarHBondContact O-N 2.91Å; W611-K613 VanDerWaalsContact C-N 3.26Å; W611-K613 PolarHBondContact O-N 2.82Å; W611-Y614 PolarHBondContact O-N 2.79Å; W611-Q615 WeakPolarHBondContact O-CB 3.47Å; W611-Q615 PolarHBondContact O-N 3.28Å
612K90.9Very high91.5Very high165 Ų16560 Ų6072%0.71728%0.282SS*.Hα-helixtrans-63.9-31172.9-69.2-178.4179.6176.40112.6L515 Y610 Y616L515-K612 HydrophobicContact CD1-CG 3.52Å; Y610-K612 VanDerWaalsContact C-N 3.32Å; Y610-K612 PolarHBondContact O-N 3.05Å; K612-Y616 PolarHBondContact O-N 3.29Å
613K92.3Very high91.4Very high53 Ų5363.9 Ų63.923%0.2330%0.3CS..Hα-helixtrans-79.7-42.9176.9-62155.11771790110.5M549 L551 E563 L565 Y610 W611 Q615 Y616 A617M549-K613 VanDerWaalsContact CE-O 3.3Å; M549-K613 WeakPolarHBondContact CE-O 3.13Å; M549-K613 HydrophobicContact SD-CB 4Å; L551-K613 HydrophobicContact CD1-CD 3.77Å; L551-K613 HydrophobicContact CD1-CG 4.36Å; E563-K613 IonicContact OE2-NZ 2.85Å; E563-K613 PolarHBondContact OE2-NZ 2.81Å; L565-K613 HydrophobicContact CD1-CD 4.17Å; L565-K613 HydrophobicContact CD2-CB 3.78Å; L565-K613 HydrophobicContact CD2-CD 4.24Å; Y610-K613 HydrophobicContact CD1-CD 3.75Å; Y610-K613 HydrophobicContact CE1-CD 4.4Å; Y610-K613 WeakPolarHBondContact O-CA 3.49Å; Y610-K613 WeakPolarHBondContact O-CB 3.48Å; Y610-K613 PolarHBondContact O-N 2.84Å; W611-K613 VanDerWaalsContact C-N 3.26Å; W611-K613 PolarHBondContact O-N 2.82Å; K613-Q615 PolarHBondContact O-N 3.09Å; K613-Y616 WeakPolarHBondContact O-CB 3.07Å; K613-Y616 PolarHBondContact O-N 3.46Å; K613-Y616 VanDerWaalsContact O-N 3.09Å; K613-A617 PolarHBondContact O-N 3.33Å
614Y93.6Very high91.5Very high0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-60.5-43.9173.5-167.6-80.3000112V519 P521 L522 I567 G571 V574 Y603 L606 Y610 W611 Y616 A617 S618V519-Y614 HydrophobicContact CG1-CD1 4.21Å; P521-Y614 VanDerWaalsContact CA-OH 3.3Å; P521-Y614 WeakPolarHBondContact CA-OH 3.4Å; L522-Y614 PolarHBondContact N-OH 3.1Å; I567-Y614 HydrophobicContact CD1-CD2 3.9Å; I567-Y614 HydrophobicContact CD1-CE2 4.18Å; I567-Y614 HydrophobicContact CG1-CD2 4.42Å; I567-Y614 HydrophobicContact CG1-CE2 4.47Å; I567-Y614 HydrophobicContact CG2-CE2 3.81Å; G571-Y614 VanDerWaalsContact CA-OH 3.29Å; G571-Y614 WeakPolarHBondContact CA-OH 3.42Å; G571-Y614 PolarHBondContact O-OH 3.36Å; V574-Y614 HydrophobicContact CG2-CD2 3.87Å; V574-Y614 HydrophobicContact CG2-CE2 3.75Å; Y603-Y614 HydrophobicContact CD2-CE1 4.03Å; Y603-Y614 HydrophobicContact CD2-CE2 4.33Å; Y603-Y614 AromaticContact CD2-CZ 3.76Å; Y603-Y614 HydrophobicContact CE2-CE1 4.02Å; L606-Y614 HydrophobicContact CD2-CD2 3.95Å; L606-Y614 HydrophobicContact CD2-CG 4.07Å; Y610-Y614 PolarHBondContact O-N 2.88Å; W611-Y614 PolarHBondContact O-N 2.79Å; Y614-Y616 VanDerWaalsContact C-N 3.25Å; Y614-Y616 PolarHBondContact O-N 2.84Å; Y614-A617 WeakPolarHBondContact O-CB 3.24Å; Y614-A617 PolarHBondContact O-N 3.1Å; Y614-A617 VanDerWaalsContact O-N 3.14Å; Y614-S618 WeakPolarHBondContact O-CB 3.45Å; Y614-S618 PolarHBondContact O-N 2.95Å
615Q92.6Very high91.7Very high45 Ų4560.7 Ų60.721%0.2129%0.285CS..Hα-helixtrans-59.6-36.4173.4-170.5-172.390.300112.1V519 W611 K613 S618 K619V519-Q615 HydrophobicContact CG1-CB 4.03Å; V519-Q615 HydrophobicContact CG1-CG 4.07Å; V519-Q615 HydrophobicContact CG2-CB 4.03Å; V519-Q615 HydrophobicContact CG2-CG 3.69Å; W611-Q615 WeakPolarHBondContact O-CB 3.47Å; W611-Q615 PolarHBondContact O-N 3.28Å; K613-Q615 PolarHBondContact O-N 3.09Å; Q615-S618 PolarHBondContact O-N 2.98Å; Q615-K619 HydrophobicContact CG-CD 4.23Å; Q615-K619 WeakPolarHBondContact O-CB 3.35Å; Q615-K619 WeakPolarHBondContact O-CG 3.32Å; Q615-K619 PolarHBondContact O-N 3.13Å
616Y92.9Very high91.9Very high110 Ų11055.6 Ų55.643%0.43126%0.259SS..Hα-helixtrans-68.2-40.2175.5-166.1-87.1000112V539 M549 K612 K613 Y614 F620V539-Y616 HydrophobicContact CG2-CD1 4.16Å; V539-Y616 HydrophobicContact CG2-CE1 3.96Å; M549-Y616 HydrophobicContact CE-CD1 3.75Å; M549-Y616 HydrophobicContact CE-CG 4.4Å; K612-Y616 PolarHBondContact O-N 3.29Å; K613-Y616 WeakPolarHBondContact O-CB 3.07Å; K613-Y616 PolarHBondContact O-N 3.46Å; K613-Y616 VanDerWaalsContact O-N 3.09Å; Y614-Y616 VanDerWaalsContact C-N 3.25Å; Y614-Y616 PolarHBondContact O-N 2.84Å; Y616-F620 WeakPolarHBondContact O-CB 3.47Å; Y616-F620 PolarHBondContact O-N 3.33Å
617A93.6Very high91.9Very high0 Ų060.4 Ų60.40%028%0.279CS..Hα-helixtrans-60.9-47.917200000111.6L522 V547 M549 I567 K613 Y614 F620 V621L522-A617 HydrophobicContact CD2-CB 3.64Å; V547-A617 HydrophobicContact CG1-CB 4.27Å; M549-A617 HydrophobicContact CE-CB 3.83Å; I567-A617 HydrophobicContact CD1-CB 3.57Å; K613-A617 PolarHBondContact O-N 3.33Å; Y614-A617 WeakPolarHBondContact O-CB 3.24Å; Y614-A617 PolarHBondContact O-N 3.1Å; Y614-A617 VanDerWaalsContact O-N 3.14Å; A617-F620 WeakPolarHBondContact O-CB 3.48Å; A617-F620 PolarHBondContact O-N 2.77Å; A617-V621 WeakPolarHBondContact O-CG2 3.47Å; A617-V621 PolarHBondContact O-N 2.61Å
618S92.9Very high91.9Very high15 Ų1560 Ų6011%0.10528%0.276CS..Hα-helixtrans-60-46.9177.9-174.90000111.7Y614 Q615 F620 V621 Q622Y614-S618 WeakPolarHBondContact O-CB 3.45Å; Y614-S618 PolarHBondContact O-N 2.95Å; Q615-S618 PolarHBondContact O-N 2.98Å; S618-F620 VanDerWaalsContact C-N 3.34Å; S618-F620 PolarHBondContact O-N 3.34Å; S618-V621 PolarHBondContact O-N 3.41Å; S618-Q622 WeakPolarHBondContact O-CG 3.39Å; S618-Q622 PolarHBondContact O-N 3.19Å
619K91.7Very high92.2Very high129 Ų12954.6 Ų54.656%0.56126%0.255SS*.Hα-helixtrans-61.3-37.4174.5-77.1175173.5170.50113.1Q615 L623Q615-K619 HydrophobicContact CG-CD 4.23Å; Q615-K619 WeakPolarHBondContact O-CB 3.35Å; Q615-K619 WeakPolarHBondContact O-CG 3.32Å; Q615-K619 PolarHBondContact O-N 3.13Å; K619-L623 WeakPolarHBondContact O-CB 3.46Å; K619-L623 PolarHBondContact O-N 2.87Å; K619-L623 VanDerWaalsContact O-N 3.07Å
620F93.4Very high92.3Very high23 Ų2348.3 Ų48.310%0.10123%0.227CC..Hα-helixtrans-65.7-45.9173.9173.8-104.1000111.9I530 Q532 V539 I541 Y616 A617 S618 Q622 L623 V624I530-F620 HydrophobicContact CG2-CZ 4.25Å; Q532-F620 HydrophobicContact CB-CE2 3.54Å; Q532-F620 HydrophobicContact CB-CZ 3.84Å; Q532-F620 HydrophobicContact CG-CE2 4.02Å; V539-F620 HydrophobicContact CB-CD1 3.92Å; V539-F620 HydrophobicContact CB-CE1 4.06Å; V539-F620 HydrophobicContact CB-CG 4.17Å; V539-F620 HydrophobicContact CB-CZ 4.46Å; V539-F620 HydrophobicContact CG1-CB 4.36Å; V539-F620 HydrophobicContact CG1-CD1 3.35Å; V539-F620 HydrophobicContact CG1-CE1 3.74Å; V539-F620 HydrophobicContact CG1-CG 3.92Å; I541-F620 HydrophobicContact CG1-CE1 4.1Å; Y616-F620 WeakPolarHBondContact O-CB 3.47Å; Y616-F620 PolarHBondContact O-N 3.33Å; A617-F620 WeakPolarHBondContact O-CB 3.48Å; A617-F620 PolarHBondContact O-N 2.77Å; S618-F620 VanDerWaalsContact C-N 3.34Å; S618-F620 PolarHBondContact O-N 3.34Å; F620-Q622 VanDerWaalsContact C-N 3.34Å; F620-Q622 PolarHBondContact O-N 3.05Å; F620-L623 PolarHBondContact O-N 3.37Å; F620-V624 HydrophobicContact CE1-CG2 4.17Å; F620-V624 HydrophobicContact CE2-CG2 4.17Å; F620-V624 HydrophobicContact CZ-CG2 3.94Å; F620-V624 WeakPolarHBondContact O-CG2 3.38Å; F620-V624 PolarHBondContact O-N 2.78Å
621V93.3Very high92.5Very high1 Ų148 Ų481%0.00623%0.226CC..Hα-helixtrans-59.8-43.3176.2170.30000111.3L522 C523 A524 L527 V547 A617 S618 L623 V624 K625L522-V621 HydrophobicContact CD1-CG2 4.39Å; L522-V621 HydrophobicContact CD2-CG2 4.31Å; C523-V621 VanDerWaalsContact O-CG1 3.27Å; C523-V621 WeakPolarHBondContact O-CG1 3.44Å; A524-V621 HydrophobicContact CB-CG1 4.32Å; A524-V621 HydrophobicContact CB-CG2 4.4Å; L527-V621 HydrophobicContact CD1-CG1 3.98Å; V547-V621 HydrophobicContact CG1-CG2 4.13Å; V547-V621 HydrophobicContact CG2-CG2 3.74Å; A617-V621 WeakPolarHBondContact O-CG2 3.47Å; A617-V621 PolarHBondContact O-N 2.61Å; S618-V621 PolarHBondContact O-N 3.41Å; V621-L623 VanDerWaalsContact C-N 3.35Å; V621-L623 PolarHBondContact O-N 2.99Å; V621-V624 PolarHBondContact O-N 3Å; V621-K625 HydrophobicContact CG1-CD 4.41Å; V621-K625 WeakPolarHBondContact O-CG 3.42Å; V621-K625 PolarHBondContact O-N 3.38Å
622Q91.1Very high92.7Very high80 Ų8048 Ų4837%0.37423%0.228SC..Hα-helixtrans-65.1-35.6176.5-66.2-66.714.800112.9S618 F620 K625 S626S618-Q622 WeakPolarHBondContact O-CG 3.39Å; S618-Q622 PolarHBondContact O-N 3.19Å; F620-Q622 VanDerWaalsContact C-N 3.34Å; F620-Q622 PolarHBondContact O-N 3.05Å; Q622-K625 WeakPolarHBondContact O-CB 3.43Å; Q622-K625 PolarHBondContact O-N 3.37Å; Q622-S626 PolarHBondContact O-N 2.86Å; Q622-S626 PolarHBondContact O-OG 2.81Å
623L91Very high93Very high112 Ų11240.5 Ų40.559%0.58620%0.195SC*.Hα-helixtrans-67.2-34.1173.4-179.762.4000112.8K619 F620 V621 S626K619-L623 WeakPolarHBondContact O-CB 3.46Å; K619-L623 PolarHBondContact O-N 2.87Å; K619-L623 VanDerWaalsContact O-N 3.07Å; F620-L623 PolarHBondContact O-N 3.37Å; V621-L623 VanDerWaalsContact C-N 3.35Å; V621-L623 PolarHBondContact O-N 2.99Å; L623-S626 PolarHBondContact O-OG 2.84Å
624V92.4Very high93.2Very high20 Ų2041.3 Ų41.312%0.12120%0.198CC..Hα-helixtrans-70.5-41.6172.6177.30000110.4L527 I530 I541 F620 V621 K627 T628L527-V624 HydrophobicContact CD1-CB 4.29Å; L527-V624 HydrophobicContact CD1-CG1 4.02Å; L527-V624 HydrophobicContact CD2-CG1 4.23Å; L527-V624 HydrophobicContact CG-CG1 4.49Å; I530-V624 HydrophobicContact CG2-CG1 4.46Å; I530-V624 HydrophobicContact CG2-CG2 4.23Å; I541-V624 HydrophobicContact CD1-CB 4.42Å; I541-V624 HydrophobicContact CD1-CG1 4.17Å; I541-V624 HydrophobicContact CD1-CG2 4.38Å; F620-V624 HydrophobicContact CE1-CG2 4.17Å; F620-V624 HydrophobicContact CE2-CG2 4.17Å; F620-V624 HydrophobicContact CZ-CG2 3.94Å; F620-V624 WeakPolarHBondContact O-CG2 3.38Å; F620-V624 PolarHBondContact O-N 2.78Å; V621-V624 PolarHBondContact O-N 3Å; V624-K627 PolarHBondContact O-N 2.83Å; V624-T628 WeakPolarHBondContact O-CB 3.41Å; V624-T628 PolarHBondContact O-N 3.22Å; V624-T628 PolarHBondContact O-OG1 2.81Å
625K92.1Very high93.2Very high20 Ų2042.8 Ų42.89%0.08721%0.207CC..Hα-helixtrans-58.3-47.3175.4-79.9-177147.6-175.10112.8C523 L527 V621 Q622 K627 T628 E644 N645C523-K625 WeakPolarHBondContact O-CE 3.4Å; C523-K625 PolarHBondContact O-NZ 3.42Å; C523-K625 VanDerWaalsContact O-NZ 3.16Å; L527-K625 HydrophobicContact CD1-CG 4Å; L527-K625 HydrophobicContact CD2-CG 3.94Å; L527-K625 HydrophobicContact CG-CG 4.46Å; V621-K625 HydrophobicContact CG1-CD 4.41Å; V621-K625 WeakPolarHBondContact O-CG 3.42Å; V621-K625 PolarHBondContact O-N 3.38Å; Q622-K625 WeakPolarHBondContact O-CB 3.43Å; Q622-K625 PolarHBondContact O-N 3.37Å; K625-K627 PolarHBondContact O-N 3.21Å; K625-T628 PolarHBondContact O-N 3.25Å; K625-E644 HydrophobicContact CB-CB 3.98Å; K625-E644 VanDerWaalsContact CD-O 3.28Å; K625-E644 WeakPolarHBondContact CD-O 3.41Å; K625-E644 VanDerWaalsContact CE-O 3.32Å; K625-E644 WeakPolarHBondContact CE-O 3.46Å; K625-E644 HydrophobicContact CG-CB 3.88Å; K625-E644 PolarHBondContact O-N 2.98Å; K625-N645 HydrophobicContact CB-CB 3.84Å
626S92Very high93.2Very high13 Ų1346.3 Ų46.39%0.09122%0.221CC..THydrogen-bonded Turntrans-68.2-4.6-177.773.50000115Q622 L623 M643 N645 D650Q622-S626 PolarHBondContact O-N 2.86Å; Q622-S626 PolarHBondContact O-OG 2.81Å; L623-S626 PolarHBondContact O-OG 2.84Å; S626-M643 WeakPolarHBondContact O-CG 3.45Å; S626-N645 VanDerWaalsContact CA-OD1 3.3Å; S626-N645 WeakPolarHBondContact CA-OD1 3.44Å; S626-D650 WeakPolarHBondContact CB-OD2 3.35Å
627K90.6Very high93.1Very high108 Ų10844 Ų4447%0.4721%0.213SC..THydrogen-bonded Turntrans-121.915171.1-48.1-59.4140.8-140.30113.1V624 K625 D650 H662V624-K627 PolarHBondContact O-N 2.83Å; K625-K627 PolarHBondContact O-N 3.21Å; K627-D650 IonicContact NZ-OD2 2.84Å; K627-D650 PolarHBondContact NZ-OD2 2.58Å; K627-H662 PolarHBondContact NZ-CE1 3.28Å
628T91.9Very high93.2Very high37 Ų3744 Ų4423%0.22721%0.214CC..SBendtrans-114.5107.1176.7-60.70000109.7L527 V624 K625 K630 M643 E644L527-T628 HydrophobicContact CD2-CG2 4.09Å; V624-T628 WeakPolarHBondContact O-CB 3.41Å; V624-T628 PolarHBondContact O-N 3.22Å; V624-T628 PolarHBondContact O-OG1 2.81Å; K625-T628 PolarHBondContact O-N 3.25Å; T628-K630 PolarHBondContact O-N 2.76Å; T628-M643 CarbonylContact O-C 3.6Å; T628-M643 WeakPolarHBondContact O-CA 3.27Å; T628-E644 HydrophobicContact CG2-CG 3.99Å; T628-E644 PolarHBondContact O-N 3.39Å
629P94.3Very high93.4Very high48 Ų4846.2 Ų46.231%0.31222%0.221SC..EExtended strand (participates in β ladder)trans-64.8123.5179.4-23.433.9000112.7M641 L642 M643 P729P629-M641 HydrophobicContact CB-CB 4.49Å; P629-L642 CarbonylContact C-O 3.6Å; P629-M643 HydrophobicContact CB-SD 4.19Å; P629-M643 HydrophobicContact CG-CE 4.3Å; P629-M643 HydrophobicContact CG-SD 3.81Å; P629-P729 WeakPolarHBondContact O-CB 3.14Å
630K93.4Very high93.7Very high16 Ų1640 Ų407%0.0720%0.195CC..EExtended strand (participates in β ladder)trans-88.3-45.1173.5-171.4177.4-175.8179.10111.7T628 L642 E644 E711 F728 P729 I730T628-K630 PolarHBondContact O-N 2.76Å; K630-L642 PolarHBondContact N-O 3.41Å; K630-E644 HydrophobicContact CB-CG 3.93Å; K630-E644 HydrophobicContact CG-CG 4.36Å; K630-E711 IonicContact NZ-OE1 3.9Å; K630-E711 PolarHBondContact NZ-OE1 3.26Å; K630-F728 HydrophobicContact CD-CD1 4.37Å; K630-F728 HydrophobicContact CG-CB 4.2Å; K630-F728 HydrophobicContact CG-CD1 3.62Å; K630-F728 HydrophobicContact CG-CE1 4.18Å; K630-F728 HydrophobicContact CG-CG 3.97Å; K630-P729 VanDerWaalsContact O-CA 3.3Å; K630-P729 WeakPolarHBondContact O-CA 3.22Å; K630-I730 PolarHBondContact O-N 3.5Å
631V95.1Very high93.9Very high0 Ų039.7 Ų39.70%019%0.194CC..EExtended strand (participates in β ladder)trans-126.1125.3176.9-175.90000108.9M641 L642 C707 F728 I730V631-M641 WeakPolarHBondContact O-CA 3.39Å; V631-L642 HydrophobicContact CB-CB 4.22Å; V631-L642 PolarHBondContact N-O 2.9Å; V631-L642 VanDerWaalsContact N-O 3.13Å; V631-L642 PolarHBondContact O-N 3.46Å; V631-C707 HydrophobicContact CG1-CB 4.46Å; V631-F728 HydrophobicContact CG2-CD1 4.25Å; V631-F728 HydrophobicContact CG2-CE1 3.86Å; V631-I730 HydrophobicContact CB-CG2 4.34Å; V631-I730 HydrophobicContact CG1-CG2 4.07Å; V631-I730 HydrophobicContact CG2-CG2 4.11Å
632T96.5Very high94Very high13 Ų1339.7 Ų39.78%0.0819%0.193CC..EExtended strand (participates in β ladder)trans-109.2120.2166.6-69.60000109.4Y634 K639 V640 I730 T731 I732T632-Y634 HydrophobicContact CG2-CD2 4.21Å; T632-Y634 HydrophobicContact CG2-CE2 3.72Å; T632-K639 HydrophobicContact CG2-CD 4.33Å; T632-K639 HydrophobicContact CG2-CG 4.06Å; T632-V640 WeakPolarHBondContact CA-O 3.39Å; T632-I730 PolarHBondContact N-O 2.89Å; T632-T731 HydrophobicContact CG2-CG2 4.04Å; T632-T731 CarbonylContact O-C 3.54Å; T632-T731 WeakPolarHBondContact O-CA 3.36Å; T632-I732 PolarHBondContact O-N 2.99Å
633L96.3Very high94.2Very high8 Ų836.1 Ų36.14%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-118.1125.5179.1173.164.9000109.9T635 V640 M706 L710 I732L633-T635 HydrophobicContact CD2-CG2 4.12Å; L633-T635 HydrophobicContact CG-CG2 4.09Å; L633-V640 HydrophobicContact CB-CB 4.27Å; L633-V640 PolarHBondContact N-O 2.86Å; L633-V640 PolarHBondContact O-N 2.82Å; L633-M706 HydrophobicContact CD2-CB 3.57Å; L633-M706 HydrophobicContact CD2-CE 4.01Å; L633-M706 HydrophobicContact CD2-CG 4.4Å; L633-M706 HydrophobicContact CD2-SD 3.98Å; L633-L710 HydrophobicContact CD1-CD1 4.29Å; L633-L710 HydrophobicContact CD2-CD1 4.33Å; L633-I732 HydrophobicContact CD1-CB 4.17Å; L633-I732 HydrophobicContact CD1-CG2 3.86Å
634Y95.6Very high94.3Very high70 Ų7031 Ų3128%0.27515%0.15SC..EExtended strand (participates in β ladder)trans-93.7108.5170.4-72.3-92.4000109.6T632 K639 T731 I732 R735T632-Y634 HydrophobicContact CG2-CD2 4.21Å; T632-Y634 HydrophobicContact CG2-CE2 3.72Å; Y634-K639 HydrophobicContact CD1-CB 4.24Å; Y634-K639 HydrophobicContact CD1-CG 4.24Å; Y634-K639 HydrophobicContact CE1-CB 4.06Å; Y634-K639 HydrophobicContact CE1-CD 4.21Å; Y634-K639 HydrophobicContact CE1-CG 3.84Å; Y634-K639 HydrophobicContact CE2-CG 4.42Å; Y634-T731 HydrophobicContact CD2-CG2 4.21Å; Y634-T731 HydrophobicContact CE2-CG2 3.8Å; Y634-I732 PolarHBondContact N-O 2.88Å; Y634-R735 HydrophobicContact CD1-CB 4.19Å; Y634-R735 HydrophobicContact CE1-CB 4.34Å
635T94.2Very high94.2Very high31 Ų3130.8 Ų30.819%0.1915%0.148CC..  trans-90179.7172.677.60000110.7L633 F637 A638 V640 Y656L633-T635 HydrophobicContact CD2-CG2 4.12Å; L633-T635 HydrophobicContact CG-CG2 4.09Å; T635-F637 PolarHBondContact O-N 3.38Å; T635-F637 PolarHBondContact OG1-N 2.94Å; T635-A638 PolarHBondContact N-O 2.99Å; T635-A638 PolarHBondContact OG1-N 3.41Å; T635-A638 PolarHBondContact OG1-O 2.72Å; T635-V640 HydrophobicContact CG2-CG2 3.89Å; T635-Y656 VanDerWaalsContact O-CE2 3.32Å; T635-Y656 WeakPolarHBondContact O-CE2 3.38Å; T635-Y656 PolarHBondContact O-OH 2.9Å
636K92.1Very high93.8Very high118 Ų11831.6 Ų31.651%0.51316%0.156SC..SBendtrans-59-31.6173.2-176.5175.3175.7-179.10112.9Y656 E740K636-Y656 WeakPolarHBondContact O-CE2 3.36Å; K636-E740 WeakPolarHBondContact CE-OE2 3.31Å; K636-E740 IonicContact NZ-OE2 3.22Å; K636-E740 PolarHBondContact NZ-OE2 3.34Å
637F92.3Very high93.2Very high61 Ų6136.7 Ų36.727%0.26819%0.189SC..SBendtrans-113.5-23.1-170.1-52.3-67.8000114.3T635 Y656 L699 L742T635-F637 PolarHBondContact O-N 3.38Å; T635-F637 PolarHBondContact OG1-N 2.94Å; F637-Y656 VanDerWaalsContact C-CE2 3.42Å; F637-Y656 VanDerWaalsContact O-CD2 3.22Å; F637-Y656 WeakPolarHBondContact O-CD2 3.49Å; F637-Y656 PolarHBondContact O-N 3Å; F637-L699 HydrophobicContact CB-CD1 4.37Å; F637-L699 HydrophobicContact CD2-CD1 4.24Å; F637-L699 HydrophobicContact CD2-CD2 3.85Å; F637-L699 HydrophobicContact CE2-CD2 4.15Å; F637-L699 HydrophobicContact CG-CD1 4.37Å; F637-L742 HydrophobicContact CD1-CD2 3.78Å; F637-L742 HydrophobicContact CE1-CD2 3.73Å; F637-L742 HydrophobicContact CG-CD2 4.46Å; F637-L742 HydrophobicContact CZ-CD2 4.38Å
638A95.8Very high92.9Very high2 Ų236.4 Ų36.42%0.01719%0.193CC..EExtended strand (participates in β ladder)trans-150.9160.9-172.300000114.6T635 V653 C654 F655 Y656T635-A638 PolarHBondContact N-O 2.99Å; T635-A638 PolarHBondContact OG1-N 3.41Å; T635-A638 PolarHBondContact OG1-O 2.72Å; A638-V653 HydrophobicContact CB-CG1 3.43Å; A638-V653 VanDerWaalsContact CB-CG1 3.43Å; A638-C654 CarbonylContact C-O 3.48Å; A638-C654 WeakPolarHBondContact CA-O 3.41Å; A638-C654 WeakPolarHBondContact CB-O 3.23Å; A638-F655 HydrophobicContact CB-CD1 3.71Å; A638-F655 HydrophobicContact CB-CE1 3.94Å; A638-F655 HydrophobicContact CB-CG 4.05Å; A638-F655 HydrophobicContact CB-CZ 4.48Å; A638-Y656 VanDerWaalsContact C-CZ 3.49Å; A638-Y656 PolarHBondContact O-OH 2.84Å; A638-Y656 VanDerWaalsContact O-OH 3.1Å
639K97.1Very high92.7Very high60 Ų6035 Ų3526%0.26119%0.185SC..EExtended strand (participates in β ladder)trans-91.1112158.4-174.4-161.3-179.3-1610108.5T632 Y634 M641 V653 C654T632-K639 HydrophobicContact CG2-CD 4.33Å; T632-K639 HydrophobicContact CG2-CG 4.06Å; Y634-K639 HydrophobicContact CD1-CB 4.24Å; Y634-K639 HydrophobicContact CD1-CG 4.24Å; Y634-K639 HydrophobicContact CE1-CB 4.06Å; Y634-K639 HydrophobicContact CE1-CD 4.21Å; Y634-K639 HydrophobicContact CE1-CG 3.84Å; Y634-K639 HydrophobicContact CE2-CG 4.42Å; K639-M641 HydrophobicContact CD-CG 4.27Å; K639-M641 HydrophobicContact CD-SD 3.99Å; K639-M641 VanDerWaalsContact CE-SD 3.55Å; K639-M641 HydrophobicContact CG-CG 4.34Å; K639-M641 PolarHBondContact NZ-SD 3.06Å; K639-V653 WeakPolarHBondContact O-CA 3.3Å; K639-C654 PolarHBondContact N-O 3.08Å; K639-C654 PolarHBondContact O-N 3.48Å
640V97.5Very high92.7Very high0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-93.8138.7175.7179.60000109.1T632 L633 T635 L651 V653 C707T632-V640 WeakPolarHBondContact CA-O 3.39Å; L633-V640 HydrophobicContact CB-CB 4.27Å; L633-V640 PolarHBondContact N-O 2.86Å; L633-V640 PolarHBondContact O-N 2.82Å; T635-V640 HydrophobicContact CG2-CG2 3.89Å; V640-L651 HydrophobicContact CG1-CD1 3.78Å; V640-V653 HydrophobicContact CB-CG2 4.31Å; V640-V653 HydrophobicContact CG1-CG2 4.05Å; V640-V653 HydrophobicContact CG2-CG1 3.96Å; V640-V653 HydrophobicContact CG2-CG2 4.07Å; V640-C707 VanDerWaalsContact CG1-SG 3.58Å
641M97.4Very high92.8Very high16 Ų1632.7 Ų32.78%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-136.2109.5-179.9-58.4178.9-61.300110.1P629 V631 K639 M643 L651 E652P629-M641 HydrophobicContact CB-CB 4.49Å; V631-M641 WeakPolarHBondContact O-CA 3.39Å; K639-M641 HydrophobicContact CD-CG 4.27Å; K639-M641 HydrophobicContact CD-SD 3.99Å; K639-M641 VanDerWaalsContact CE-SD 3.55Å; K639-M641 HydrophobicContact CG-CG 4.34Å; K639-M641 PolarHBondContact NZ-SD 3.06Å; M641-M643 HydrophobicContact CB-CE 4.05Å; M641-L651 WeakPolarHBondContact O-CA 3.46Å; M641-E652 WeakPolarHBondContact CB-O 3.17Å; M641-E652 HydrophobicContact CE-CB 3.87Å; M641-E652 HydrophobicContact CE-CG 3.78Å; M641-E652 PolarHBondContact N-O 3.26Å; M641-E652 PolarHBondContact O-N 2.85Å
642L96.3Very high92.9Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-91.1135.4171.4-172.571.8000109.2P629 K630 V631 A649 L651 C707 L708 E711P629-L642 CarbonylContact C-O 3.6Å; K630-L642 PolarHBondContact N-O 3.41Å; V631-L642 HydrophobicContact CB-CB 4.22Å; V631-L642 PolarHBondContact N-O 2.9Å; V631-L642 VanDerWaalsContact N-O 3.13Å; V631-L642 PolarHBondContact O-N 3.46Å; L642-A649 HydrophobicContact CD1-CB 3.67Å; L642-A649 HydrophobicContact CG-CB 4.1Å; L642-L651 HydrophobicContact CB-CD1 4.24Å; L642-L651 HydrophobicContact CD1-CD1 3.91Å; L642-C707 HydrophobicContact CB-CB 3.91Å; L642-C707 HydrophobicContact CD2-CB 3.95Å; L642-C707 HydrophobicContact CG-CB 4.43Å; L642-L708 HydrophobicContact CD2-CD2 4.06Å; L642-E711 WeakPolarHBondContact CD2-OE2 3.44Å
643M95.3Very high92.9Very high5 Ų534.6 Ų34.63%0.02518%0.179CC..EExtended strand (participates in β ladder)trans-96171.1-171.7-56.5-64.8169.900113.2S626 T628 P629 M641 N645 D650 E652S626-M643 WeakPolarHBondContact O-CG 3.45Å; T628-M643 CarbonylContact O-C 3.6Å; T628-M643 WeakPolarHBondContact O-CA 3.27Å; P629-M643 HydrophobicContact CB-SD 4.19Å; P629-M643 HydrophobicContact CG-CE 4.3Å; P629-M643 HydrophobicContact CG-SD 3.81Å; M641-M643 HydrophobicContact CB-CE 4.05Å; M643-N645 VanDerWaalsContact C-N 3.28Å; M643-N645 VanDerWaalsContact CB-OD1 3.31Å; M643-N645 WeakPolarHBondContact CB-OD1 3.49Å; M643-N645 PolarHBondContact O-N 3.41Å; M643-D650 HydrophobicContact CB-CB 3.96Å; M643-D650 WeakPolarHBondContact CB-O 3.24Å; M643-D650 HydrophobicContact CG-CB 3.7Å; M643-D650 VanDerWaalsContact CG-O 3.23Å; M643-D650 WeakPolarHBondContact CG-O 3.28Å; M643-D650 PolarHBondContact N-O 3.39Å; M643-E652 HydrophobicContact CE-CB 3.81Å
644E92.9Very high92.9Very high4 Ų435.6 Ų35.62%0.01919%0.186CC..SBendtrans-77.63.3-175.9-80.7-79.3-168.300115.2R526 K625 T628 K630 S646R526-E644 IonicContact CZ-OE1 3.87Å; R526-E644 IonicContact CZ-OE2 2.69Å; R526-E644 IonicContact NE-OE1 2.62Å; R526-E644 PolarHBondContact NE-OE1 3.41Å; R526-E644 IonicContact NE-OE2 3.68Å; R526-E644 IonicContact NH2-OE1 2.81Å; R526-E644 PolarHBondContact NH2-OE1 3.41Å; R526-E644 IonicContact NH2-OE2 2.74Å; R526-E644 PolarHBondContact NH2-OE2 3.38Å; K625-E644 HydrophobicContact CB-CB 3.98Å; K625-E644 VanDerWaalsContact CD-O 3.28Å; K625-E644 WeakPolarHBondContact CD-O 3.41Å; K625-E644 VanDerWaalsContact CE-O 3.32Å; K625-E644 WeakPolarHBondContact CE-O 3.46Å; K625-E644 HydrophobicContact CG-CB 3.88Å; K625-E644 PolarHBondContact O-N 2.98Å; T628-E644 HydrophobicContact CG2-CG 3.99Å; T628-E644 PolarHBondContact O-N 3.39Å; K630-E644 HydrophobicContact CB-CG 3.93Å; K630-E644 HydrophobicContact CG-CG 4.36Å; E644-S646 VanDerWaalsContact C-N 3.31Å; E644-S646 PolarHBondContact O-N 3.5Å
645N90.3Very high92.9Very high17 Ų1732.7 Ų32.79%0.09118%0.175CC..  trans-89.331.2-176.359.7-51.6000114.9K625 S626 M643 D648 A649 D650K625-N645 HydrophobicContact CB-CB 3.84Å; S626-N645 VanDerWaalsContact CA-OD1 3.3Å; S626-N645 WeakPolarHBondContact CA-OD1 3.44Å; M643-N645 VanDerWaalsContact C-N 3.28Å; M643-N645 VanDerWaalsContact CB-OD1 3.31Å; M643-N645 WeakPolarHBondContact CB-OD1 3.49Å; M643-N645 PolarHBondContact O-N 3.41Å; N645-D648 PolarHBondContact ND2-O 2.79Å; N645-D648 CarbonylContact O-C 3.5Å; N645-D648 VanDerWaalsContact O-C 3.27Å; N645-D648 PolarHBondContact O-N 3.13Å; N645-A649 PolarHBondContact O-N 2.97Å; N645-D650 PolarHBondContact ND2-N 3.33Å; N645-D650 PolarHBondContact ND2-OD1 3.32Å; N645-D650 PolarHBondContact OD1-N 3.11Å
646S83.3Confident92.8Very high37 Ų3733 Ų3326%0.25917%0.173SC..  trans-52.3140.8171.2-29.90000111.2E644 E711E644-S646 VanDerWaalsContact C-N 3.31Å; E644-S646 PolarHBondContact O-N 3.5Å; S646-E711 PolarHBondContact OG-OE1 2.69Å
647P79.1Confident92.7Very high120 Ų12030.7 Ų30.778%0.77917%0.166SC*.SBendcis-78.2-31.48.831.6-35.6000114.4A649P647-A649 PolarHBondContact O-N 3.41Å
648D83.5Confident92.4Very high101 Ų10130.2 Ų30.254%0.5418%0.178SC..SBendtrans-79.650.5180-58.7-74.9000112.1N645 D650N645-D648 PolarHBondContact ND2-O 2.79Å; N645-D648 CarbonylContact O-C 3.5Å; N645-D648 VanDerWaalsContact O-C 3.27Å; N645-D648 PolarHBondContact O-N 3.13Å; D648-D650 PolarHBondContact O-N 3.47Å
649A89.3Confident92.3Very high8 Ų830.1 Ų30.17%0.06618%0.177CC..  trans-64.5129.2-171.700000112.5L642 N645 P647L642-A649 HydrophobicContact CD1-CB 3.67Å; L642-A649 HydrophobicContact CG-CB 4.1Å; N645-A649 PolarHBondContact O-N 2.97Å; P647-A649 PolarHBondContact O-N 3.41Å
650D93.9Very high92.2Very high16 Ų1631.6 Ų31.69%0.08618%0.184CC..  trans-66146171.4-80.833.5000109.7S626 K627 M643 N645 D648 H662S626-D650 WeakPolarHBondContact CB-OD2 3.35Å; K627-D650 IonicContact NZ-OD2 2.84Å; K627-D650 PolarHBondContact NZ-OD2 2.58Å; M643-D650 HydrophobicContact CB-CB 3.96Å; M643-D650 WeakPolarHBondContact CB-O 3.24Å; M643-D650 HydrophobicContact CG-CB 3.7Å; M643-D650 VanDerWaalsContact CG-O 3.23Å; M643-D650 WeakPolarHBondContact CG-O 3.28Å; M643-D650 PolarHBondContact N-O 3.39Å; N645-D650 PolarHBondContact ND2-N 3.33Å; N645-D650 PolarHBondContact ND2-OD1 3.32Å; N645-D650 PolarHBondContact OD1-N 3.11Å; D648-D650 PolarHBondContact O-N 3.47Å; D650-H662 IonicContact OD2-CE1 3.71Å; D650-H662 IonicContact OD2-NE2 3.36Å
651L95.6Very high92.1Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-125.6125.5175.8-170.885.2000109.9V640 M641 L642 V653 H662 K663 H704V640-L651 HydrophobicContact CG1-CD1 3.78Å; M641-L651 WeakPolarHBondContact O-CA 3.46Å; L642-L651 HydrophobicContact CB-CD1 4.24Å; L642-L651 HydrophobicContact CD1-CD1 3.91Å; L651-V653 HydrophobicContact CD2-CG2 3.92Å; L651-V653 HydrophobicContact CG-CG2 4.06Å; L651-H662 CarbonylContact O-C 3.57Å; L651-H662 WeakPolarHBondContact O-CA 3.46Å; L651-K663 HydrophobicContact CB-CB 4.28Å; L651-K663 PolarHBondContact N-O 3.25Å; L651-K663 PolarHBondContact O-N 3.37Å; L651-H704 HydrophobicContact CD1-CB 4.28Å; L651-H704 HydrophobicContact CD2-CB 3.65Å
652E97Very high92Very high53 Ų5333.2 Ų33.225%0.24819%0.191CC..EExtended strand (participates in β ladder)trans-118.4127.1169.5-175-178.6156.400110.2M641 M643 K660M641-E652 WeakPolarHBondContact CB-O 3.17Å; M641-E652 HydrophobicContact CE-CB 3.87Å; M641-E652 HydrophobicContact CE-CG 3.78Å; M641-E652 PolarHBondContact N-O 3.26Å; M641-E652 PolarHBondContact O-N 2.85Å; M643-E652 HydrophobicContact CE-CB 3.81Å; E652-K660 IonicContact OE1-NZ 2.63Å
653V97.1Very high91.7Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-121.5123.3-179.7-175.10000109.4A638 K639 V640 L651 F655 K660 T661 S700A638-V653 HydrophobicContact CB-CG1 3.43Å; A638-V653 VanDerWaalsContact CB-CG1 3.43Å; K639-V653 WeakPolarHBondContact O-CA 3.3Å; V640-V653 HydrophobicContact CB-CG2 4.31Å; V640-V653 HydrophobicContact CG1-CG2 4.05Å; V640-V653 HydrophobicContact CG2-CG1 3.96Å; V640-V653 HydrophobicContact CG2-CG2 4.07Å; L651-V653 HydrophobicContact CD2-CG2 3.92Å; L651-V653 HydrophobicContact CG-CG2 4.06Å; V653-F655 HydrophobicContact CB-CE2 4.15Å; V653-F655 HydrophobicContact CG1-CD2 4.15Å; V653-F655 HydrophobicContact CG1-CE1 4.33Å; V653-F655 HydrophobicContact CG1-CE2 3.61Å; V653-F655 HydrophobicContact CG1-CZ 3.7Å; V653-K660 CarbonylContact O-C 3.41Å; V653-K660 VanDerWaalsContact O-CA 3.24Å; V653-K660 WeakPolarHBondContact O-CA 3.18Å; V653-T661 PolarHBondContact N-O 2.76Å; V653-T661 PolarHBondContact O-N 2.68Å; V653-S700 WeakPolarHBondContact CG2-OG 3.49Å
654C95.8Very high91.5Very high28 Ų2837 Ų3719%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-109.3109.7175.2-72.20000109.5A638 K639 K660A638-C654 CarbonylContact C-O 3.48Å; A638-C654 WeakPolarHBondContact CA-O 3.41Å; A638-C654 WeakPolarHBondContact CB-O 3.23Å; K639-C654 PolarHBondContact N-O 3.08Å; K639-C654 PolarHBondContact O-N 3.48Å; C654-K660 VanDerWaalsContact SG-CE 3.54Å
655F95.2Very high91.1Very high10 Ų1041 Ų414%0.04424%0.239CC..EExtended strand (participates in β ladder)trans-76.4149.4178.5-65.9-92.5000110.8A638 V653 D657 G658 A659 T661 Y696 L699A638-F655 HydrophobicContact CB-CD1 3.71Å; A638-F655 HydrophobicContact CB-CE1 3.94Å; A638-F655 HydrophobicContact CB-CG 4.05Å; A638-F655 HydrophobicContact CB-CZ 4.48Å; V653-F655 HydrophobicContact CB-CE2 4.15Å; V653-F655 HydrophobicContact CG1-CD2 4.15Å; V653-F655 HydrophobicContact CG1-CE1 4.33Å; V653-F655 HydrophobicContact CG1-CE2 3.61Å; V653-F655 HydrophobicContact CG1-CZ 3.7Å; F655-D657 WeakPolarHBondContact CB-OD1 3.38Å; F655-D657 PolarHBondContact O-N 3.49Å; F655-G658 PolarHBondContact O-N 3.05Å; F655-A659 HydrophobicContact CB-CB 4.19Å; F655-A659 WeakPolarHBondContact CB-O 3.48Å; F655-A659 HydrophobicContact CD2-CB 4.35Å; F655-A659 PolarHBondContact N-O 3.03Å; F655-T661 HydrophobicContact CE2-CG2 4.17Å; F655-Y696 HydrophobicContact CB-CE1 4.24Å; F655-Y696 AromaticContact CD1-CD1 3.74Å; F655-Y696 HydrophobicContact CD1-CD1 3.74Å; F655-Y696 HydrophobicContact CD1-CE1 4.06Å; F655-Y696 AromaticContact CD2-CD1 3.8Å; F655-Y696 HydrophobicContact CD2-CD1 3.8Å; F655-Y696 HydrophobicContact CD2-CE1 4.32Å; F655-Y696 HydrophobicContact CD2-CG 4.44Å; F655-Y696 AromaticContact CE1-CD1 3.84Å; F655-Y696 HydrophobicContact CE1-CD1 3.84Å; F655-Y696 AromaticContact CE2-CD1 3.9Å; F655-Y696 HydrophobicContact CE2-CD1 3.9Å; F655-Y696 HydrophobicContact CE2-CG 4.31Å; F655-Y696 AromaticContact CG-CD1 3.73Å; F655-Y696 HydrophobicContact CG-CD1 3.73Å; F655-Y696 AromaticContact CG-CE1 3.93Å; F655-Y696 HydrophobicContact CG-CE1 3.93Å; F655-Y696 AromaticContact CZ-CD1 3.93Å; F655-Y696 HydrophobicContact CZ-CD1 3.93Å; F655-Y696 HydrophobicContact CZ-CG 4.5Å; F655-Y696 WeakPolarHBondContact CZ-O 3.26Å; F655-L699 HydrophobicContact CE1-CB 3.74Å; F655-L699 HydrophobicContact CE1-CD1 3.96Å; F655-L699 HydrophobicContact CZ-CB 4.07Å
656Y92.1Very high90.8Very high37 Ų3747 Ų4715%0.14527%0.266CS..THydrogen-bonded Turntrans-72.6-13.2-173.6-61.2-38.2000114.4T635 K636 F637 A638 R735 P736T635-Y656 VanDerWaalsContact O-CE2 3.32Å; T635-Y656 WeakPolarHBondContact O-CE2 3.38Å; T635-Y656 PolarHBondContact O-OH 2.9Å; K636-Y656 WeakPolarHBondContact O-CE2 3.36Å; F637-Y656 VanDerWaalsContact C-CE2 3.42Å; F637-Y656 VanDerWaalsContact O-CD2 3.22Å; F637-Y656 WeakPolarHBondContact O-CD2 3.49Å; F637-Y656 PolarHBondContact O-N 3Å; A638-Y656 VanDerWaalsContact C-CZ 3.49Å; A638-Y656 PolarHBondContact O-OH 2.84Å; A638-Y656 VanDerWaalsContact O-OH 3.1Å; Y656-R735 HydrophobicContact CD1-CG 4.05Å; Y656-R735 HydrophobicContact CE1-CB 4.35Å; Y656-R735 HydrophobicContact CE1-CG 3.74Å; Y656-R735 HydrophobicContact CE2-CG 4.41Å; Y656-R735 PolarHBondContact O-NH2 3.25Å; Y656-R735 VanDerWaalsContact O-NH2 3.14Å; Y656-P736 VanDerWaalsContact CE2-CD 3.43Å; Y656-P736 HydrophobicContact CE2-CG 4.05Å
657D89.4Confident91Very high69 Ų6947.4 Ų47.437%0.36927%0.266SS..THydrogen-bonded Turntrans-84.8-7.9173.6608.7000113.9F655 A659 Y696F655-D657 WeakPolarHBondContact CB-OD1 3.38Å; F655-D657 PolarHBondContact O-N 3.49Å; D657-A659 WeakPolarHBondContact OD1-CB 3.48Å; D657-A659 PolarHBondContact OD1-N 3.49Å; D657-Y696 WeakPolarHBondContact OD2-CE1 3.17Å; D657-Y696 PolarHBondContact OD2-OH 3.34Å
658G87.5Confident91.5Very high51 Ų5142.6 Ų42.653%0.52623%0.234SC..SBendtrans106.2-10.2179.900000115.2F655F655-G658 PolarHBondContact O-N 3.05Å
659A92.4Very high91.9Very high0 Ų043.3 Ų43.30%023%0.229CC..  trans-71.2160.9174.800000112.3F655 D657 V671 Y696F655-A659 HydrophobicContact CB-CB 4.19Å; F655-A659 WeakPolarHBondContact CB-O 3.48Å; F655-A659 HydrophobicContact CD2-CB 4.35Å; F655-A659 PolarHBondContact N-O 3.03Å; D657-A659 WeakPolarHBondContact OD1-CB 3.48Å; D657-A659 PolarHBondContact OD1-N 3.49Å; A659-V671 CarbonylContact C-O 3.54Å; A659-V671 VanDerWaalsContact CA-O 3.32Å; A659-V671 WeakPolarHBondContact CA-O 3.21Å; A659-V671 WeakPolarHBondContact CB-O 3.4Å; A659-Y696 HydrophobicContact CB-CD1 4.11Å; A659-Y696 HydrophobicContact CB-CD2 4Å; A659-Y696 HydrophobicContact CB-CE1 3.59Å; A659-Y696 HydrophobicContact CB-CE2 3.47Å; A659-Y696 VanDerWaalsContact CB-CE2 3.47Å; A659-Y696 HydrophobicContact CB-CG 4.31Å; A659-Y696 WeakPolarHBondContact CB-OH 3.42Å
660K95.5Very high92.1Very high92 Ų9243 Ų4340%0.423%0.226SC..EExtended strand (participates in β ladder)trans-142.1147.5177.8-59.9-169.2173.6-156.90112.5E652 V653 C654 V671E652-K660 IonicContact OE1-NZ 2.63Å; V653-K660 CarbonylContact O-C 3.41Å; V653-K660 VanDerWaalsContact O-CA 3.24Å; V653-K660 WeakPolarHBondContact O-CA 3.18Å; C654-K660 VanDerWaalsContact SG-CE 3.54Å; K660-V671 HydrophobicContact CB-CB 4.31Å; K660-V671 PolarHBondContact N-O 3.37Å; K660-V671 PolarHBondContact O-N 3.03Å
661T95.2Very high92Very high2 Ų243.9 Ų43.91%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-125.4148.9162.157.30000111.6V653 F655 R669 V670 Y696 S700V653-T661 PolarHBondContact N-O 2.76Å; V653-T661 PolarHBondContact O-N 2.68Å; F655-T661 HydrophobicContact CE2-CG2 4.17Å; T661-R669 CarbonylContact C-O 3.59Å; T661-R669 VanDerWaalsContact CA-O 3.28Å; T661-R669 WeakPolarHBondContact CA-O 3.45Å; T661-V670 HydrophobicContact CG2-CB 4.28Å; T661-V670 HydrophobicContact CG2-CG1 4.05Å; T661-V670 HydrophobicContact CG2-CG2 3.99Å; T661-Y696 WeakPolarHBondContact CG2-O 3.43Å; T661-S700 VanDerWaalsContact OG1-CB 3.26Å; T661-S700 WeakPolarHBondContact OG1-CB 3.34Å; T661-S700 PolarHBondContact OG1-OG 3.49Å
662H94.7Very high91.6Very high48 Ų4844.9 Ų44.922%0.22224%0.237CC..EExtended strand (participates in β ladder)trans-134111.4176.1-170.173.2000108.2K627 D650 L651 R669K627-H662 PolarHBondContact NZ-CE1 3.28Å; D650-H662 IonicContact OD2-CE1 3.71Å; D650-H662 IonicContact OD2-NE2 3.36Å; L651-H662 CarbonylContact O-C 3.57Å; L651-H662 WeakPolarHBondContact O-CA 3.46Å; H662-R669 HydrophobicContact CB-CB 4.48Å; H662-R669 PolarHBondContact N-O 3.08Å; H662-R669 PolarHBondContact O-N 3.02Å
663K91.5Very high91.1Very high50 Ų5050 Ų5022%0.21725%0.254CS..EExtended strand (participates in β ladder)trans-110.9137.3-178178.5162.7-172.4172.20109.7L651 V668 D701L651-K663 HydrophobicContact CB-CB 4.28Å; L651-K663 PolarHBondContact N-O 3.25Å; L651-K663 PolarHBondContact O-N 3.37Å; K663-V668 HydrophobicContact CB-CG2 4.29Å; K663-V668 HydrophobicContact CD-CG2 3.92Å; K663-V668 HydrophobicContact CG-CG2 3.9Å; K663-D701 VanDerWaalsContact CD-OD1 3.24Å; K663-D701 WeakPolarHBondContact CD-OD1 3.31Å; K663-D701 WeakPolarHBondContact CE-OD1 3.45Å; K663-D701 IonicContact NZ-OD1 3.58Å; K663-D701 PolarHBondContact NZ-OD1 3.04Å; K663-D701 IonicContact NZ-OD2 3.03Å; K663-D701 PolarHBondContact NZ-OD2 3.39Å
664T90.6Very high90.5Very high33 Ų3354 Ų5420%0.20228%0.282CS..  trans-131.7175.317760.20000107.7E666 L667T664-E666 VanDerWaalsContact C-N 3.26Å; T664-E666 PolarHBondContact O-N 3.24Å; T664-L667 PolarHBondContact N-O 3.31Å; T664-L667 WeakPolarHBondContact OG1-CG 3.43Å; T664-L667 PolarHBondContact OG1-N 3.01Å; T664-L667 PolarHBondContact OG1-O 3.37Å
665S84.4Confident89.7Confident89 Ų8955.5 Ų55.562%0.62230%0.302SS*.SBendtrans-63.6-27.1173.650.10000113.9
666E83.2Confident89.1Confident142 Ų14260.7 Ų60.766%0.66432%0.324SS*.SBendtrans-96.9-34-178.5-65.7-174-16700114.7T664T664-E666 VanDerWaalsContact C-N 3.26Å; T664-E666 PolarHBondContact O-N 3.24Å
667L88.7Confident88.9Confident47 Ų4761.3 Ų61.325%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-147.5155-170.364.780.5000114.4T664 R669 T679 V680 K681T664-L667 PolarHBondContact N-O 3.31Å; T664-L667 WeakPolarHBondContact OG1-CG 3.43Å; T664-L667 PolarHBondContact OG1-N 3.01Å; T664-L667 PolarHBondContact OG1-O 3.37Å; L667-R669 HydrophobicContact CD1-CB 4.45Å; L667-T679 HydrophobicContact CB-CG2 4.3Å; L667-T679 HydrophobicContact CD1-CG2 4.18Å; L667-T679 HydrophobicContact CD2-CG2 4.08Å; L667-T679 HydrophobicContact CG-CG2 4.43Å; L667-V680 VanDerWaalsContact CA-O 3.32Å; L667-V680 WeakPolarHBondContact CA-O 3.35Å; L667-V680 WeakPolarHBondContact CB-O 3.45Å; L667-K681 HydrophobicContact CB-CG 4.22Å
668V89.7Confident88.8Confident19 Ų1960.5 Ų60.512%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-115.6121.9167.6-177.20000108.2K663 V670 V680 V697K663-V668 HydrophobicContact CB-CG2 4.29Å; K663-V668 HydrophobicContact CD-CG2 3.92Å; K663-V668 HydrophobicContact CG-CG2 3.9Å; V668-V670 HydrophobicContact CG1-CG2 4.37Å; V668-V680 PolarHBondContact N-O 2.8Å; V668-V680 PolarHBondContact O-N 2.85Å; V668-V697 HydrophobicContact CG1-CG2 4.07Å
669R92.1Very high88.8Confident116 Ų11661.9 Ų61.944%0.43833%0.325SS..EExtended strand (participates in β ladder)trans-105127.7170.4-172.2179-179.3-148.2-3.3109.8T661 H662 L667 S677 Y678T661-R669 CarbonylContact C-O 3.59Å; T661-R669 VanDerWaalsContact CA-O 3.28Å; T661-R669 WeakPolarHBondContact CA-O 3.45Å; H662-R669 HydrophobicContact CB-CB 4.48Å; H662-R669 PolarHBondContact N-O 3.08Å; H662-R669 PolarHBondContact O-N 3.02Å; L667-R669 HydrophobicContact CD1-CB 4.45Å; R669-S677 PolarHBondContact NH2-OG 2.86Å; R669-Y678 CarbonylContact C-O 3.52Å; R669-Y678 WeakPolarHBondContact CA-O 3.49Å; R669-Y678 WeakPolarHBondContact CG-O 3.32Å
670V92.6Very high88.5Confident0 Ų062.5 Ų62.50%033%0.329CS..EExtended strand (participates in β ladder)trans-108.5139.3174-173.80000108.7T661 V668 S677 Y678 L689 Y696 V697T661-V670 HydrophobicContact CG2-CB 4.28Å; T661-V670 HydrophobicContact CG2-CG1 4.05Å; T661-V670 HydrophobicContact CG2-CG2 3.99Å; V668-V670 HydrophobicContact CG1-CG2 4.37Å; V670-S677 CarbonylContact O-C 3.54Å; V670-S677 WeakPolarHBondContact O-CA 3.46Å; V670-S677 WeakPolarHBondContact O-CB 3.5Å; V670-Y678 PolarHBondContact N-O 2.92Å; V670-Y678 PolarHBondContact O-N 2.86Å; V670-L689 HydrophobicContact CG2-CD1 4.38Å; V670-Y696 HydrophobicContact CG1-CD2 4.42Å; V670-V697 HydrophobicContact CG2-CG2 3.64Å
671V91.3Very high87.8Confident36 Ų3665.4 Ų65.422%0.21834%0.341CS..EExtended strand (participates in β ladder)trans-126.5110.2171.4-169.80000107.4A659 K660 K676A659-V671 CarbonylContact C-O 3.54Å; A659-V671 VanDerWaalsContact CA-O 3.32Å; A659-V671 WeakPolarHBondContact CA-O 3.21Å; A659-V671 WeakPolarHBondContact CB-O 3.4Å; K660-V671 HydrophobicContact CB-CB 4.31Å; K660-V671 PolarHBondContact N-O 3.37Å; K660-V671 PolarHBondContact O-N 3.03Å; V671-K676 WeakPolarHBondContact CA-O 3.36Å
672E88.8Confident86.4Confident20 Ų2067.8 Ų67.89%0.09337%0.366CS..  trans-67.9158175.7-74.8171.3165.400110.4S674 G675 K676 Y678 S690 S693E672-S674 WeakPolarHBondContact CB-OG 3.24Å; E672-S674 PolarHBondContact O-N 2.8Å; E672-G675 PolarHBondContact O-N 2.87Å; E672-K676 PolarHBondContact N-O 2.85Å; E672-Y678 HydrophobicContact CG-CE2 3.93Å; E672-Y678 WeakPolarHBondContact OE1-CE2 3.35Å; E672-Y678 PolarHBondContact OE1-OH 2.88Å; E672-Y678 WeakPolarHBondContact OE2-CE2 3.42Å; E672-Y678 PolarHBondContact OE2-OH 2.89Å; E672-S690 PolarHBondContact OE1-OG 3.22Å; E672-S693 WeakPolarHBondContact CG-OG 3.48Å; E672-S693 PolarHBondContact OE1-OG 3.41Å
673R85.9Confident84.6Confident161 Ų16173.9 Ų73.961%0.60839%0.394SS*.THydrogen-bonded Turntrans-55.4-16.2171.959-178.5162.41305.2114.5G675 E692R673-G675 PolarHBondContact O-N 3.19Å; R673-E692 IonicContact CZ-OE1 2.82Å; R673-E692 VanDerWaalsContact CZ-OE1 3.3Å; R673-E692 IonicContact CZ-OE2 2.82Å; R673-E692 IonicContact NE-OE1 3.29Å; R673-E692 PolarHBondContact NE-OE1 3.34Å; R673-E692 IonicContact NE-OE2 3.3Å; R673-E692 VanDerWaalsContact NH2-CD 3.3Å; R673-E692 IonicContact NH2-OE1 2.89Å; R673-E692 PolarHBondContact NH2-OE1 2.82Å; R673-E692 IonicContact NH2-OE2 2.7Å; R673-E692 PolarHBondContact NH2-OE2 3.28Å
674S83.2Confident82.9Confident85 Ų8577.8 Ų77.859%0.59442%0.422SS*.THydrogen-bonded Turntrans-74.4-7.8171.161.10000114.2E672 K676E672-S674 WeakPolarHBondContact CB-OG 3.24Å; E672-S674 PolarHBondContact O-N 2.8Å; S674-K676 PolarHBondContact O-N 3.1Å; S674-K676 WeakPolarHBondContact OG-CB 3.46Å; S674-K676 PolarHBondContact OG-N 2.83Å
675G79.6Confident81.4Confident58 Ų5877.6 Ų77.660%0.59843%0.427SS*.SBendtrans81.4-10.5-170.300000114.2E672 R673E672-G675 PolarHBondContact O-N 2.87Å; R673-G675 PolarHBondContact O-N 3.19Å
676K82.9Confident80.5Confident119 Ų11976.2 Ų76.252%0.51741%0.412SS..  trans-67.8131.2177.1-171.2177.9174.2-158.40110.1V671 E672 S674 Y678V671-K676 WeakPolarHBondContact CA-O 3.36Å; E672-K676 PolarHBondContact N-O 2.85Å; S674-K676 PolarHBondContact O-N 3.1Å; S674-K676 WeakPolarHBondContact OG-CB 3.46Å; S674-K676 PolarHBondContact OG-N 2.83Å; K676-Y678 HydrophobicContact CD-CE1 4.42Å; K676-Y678 HydrophobicContact CD-CE2 4.38Å; K676-Y678 WeakPolarHBondContact CD-OH 3.45Å; K676-Y678 VanDerWaalsContact CE-OH 3.22Å; K676-Y678 WeakPolarHBondContact CE-OH 3.22Å; K676-Y678 HydrophobicContact CG-CE2 4.24Å; K676-Y678 PolarHBondContact NZ-OH 2.92Å
677S88Confident79.6Confident51 Ų5173.7 Ų73.736%0.35741%0.41SS..EExtended strand (participates in β ladder)trans-121.6137.7-179.877.80000113.9R669 V670R669-S677 PolarHBondContact NH2-OG 2.86Å; V670-S677 CarbonylContact O-C 3.54Å; V670-S677 WeakPolarHBondContact O-CA 3.46Å; V670-S677 WeakPolarHBondContact O-CB 3.5Å
678Y86.7Confident78.6Confident51 Ų5174.6 Ų74.620%0.243%0.431CS..EExtended strand (participates in β ladder)trans-116.2147.4175.9-45.5-101.8000108.9R669 V670 E672 K676 L689R669-Y678 CarbonylContact C-O 3.52Å; R669-Y678 WeakPolarHBondContact CA-O 3.49Å; R669-Y678 WeakPolarHBondContact CG-O 3.32Å; V670-Y678 PolarHBondContact N-O 2.92Å; V670-Y678 PolarHBondContact O-N 2.86Å; E672-Y678 HydrophobicContact CG-CE2 3.93Å; E672-Y678 WeakPolarHBondContact OE1-CE2 3.35Å; E672-Y678 PolarHBondContact OE1-OH 2.88Å; E672-Y678 WeakPolarHBondContact OE2-CE2 3.42Å; E672-Y678 PolarHBondContact OE2-OH 2.89Å; K676-Y678 HydrophobicContact CD-CE1 4.42Å; K676-Y678 HydrophobicContact CD-CE2 4.38Å; K676-Y678 WeakPolarHBondContact CD-OH 3.45Å; K676-Y678 VanDerWaalsContact CE-OH 3.22Å; K676-Y678 WeakPolarHBondContact CE-OH 3.22Å; K676-Y678 HydrophobicContact CG-CE2 4.24Å; K676-Y678 PolarHBondContact NZ-OH 2.92Å; Y678-L689 HydrophobicContact CD1-CD2 4.34Å; Y678-L689 HydrophobicContact CD2-CD2 4.44Å; Y678-L689 HydrophobicContact CG-CD2 3.95Å
679T88.7Confident78.2Confident81 Ų8174.2 Ų74.250%0.49743%0.429SS..EExtended strand (participates in β ladder)trans-126.9121.4174.7-54.70000108.8L667L667-T679 HydrophobicContact CB-CG2 4.3Å; L667-T679 HydrophobicContact CD1-CG2 4.18Å; L667-T679 HydrophobicContact CD2-CG2 4.08Å; L667-T679 HydrophobicContact CG-CG2 4.43Å
680V84.5Confident77.8Confident13 Ų1370.2 Ų70.28%0.07942%0.418CS..EExtended strand (participates in β ladder)trans-109.7132.6-179.3174.80000108.6L667 V668 G682 L686 L689L667-V680 VanDerWaalsContact CA-O 3.32Å; L667-V680 WeakPolarHBondContact CA-O 3.35Å; L667-V680 WeakPolarHBondContact CB-O 3.45Å; V668-V680 PolarHBondContact N-O 2.8Å; V668-V680 PolarHBondContact O-N 2.85Å; V680-G682 VanDerWaalsContact CG1-O 3.31Å; V680-G682 WeakPolarHBondContact CG1-O 3.49Å; V680-L686 HydrophobicContact CG1-CD2 4.25Å; V680-L689 HydrophobicContact CG2-CD1 4.1Å; V680-L689 HydrophobicContact CG2-CD2 3.94Å; V680-L689 HydrophobicContact CG2-CG 4.07Å
681K80.7Confident77.4Confident153 Ų15375.4 Ų75.467%0.66545%0.452SS*.EExtended strand (participates in β ladder)trans-109.9123.7171.8-67.8-167173.8-161.50109L667L667-K681 HydrophobicContact CB-CG 4.22Å
682G66Low77.1Confident51 Ų5177 Ų7753%0.52646%0.457SS..SBendtrans65.5169.7-174.800000114.6V680 V684V680-G682 VanDerWaalsContact CG1-O 3.31Å; V680-G682 WeakPolarHBondContact CG1-O 3.49Å; G682-V684 PolarHBondContact O-N 2.91Å
683E57.8Low77.1Confident176 Ų17676 Ų7682%0.82245%0.452SS*.G310 helixtrans-68-32.2-172.1-58.1-178.415300113.4G685 L686E683-G685 PolarHBondContact O-N 3.19Å; E683-G685 VanDerWaalsContact O-N 3.16Å; E683-L686 WeakPolarHBondContact O-CG 3.36Å; E683-L686 PolarHBondContact O-N 3.05Å
684V55.9Low77.2Confident132 Ų13273.3 Ų73.380%0.844%0.442SS*.G310 helixtrans-59.8-31.1-173.8-174.10000112.9G682 L686 S687G682-V684 PolarHBondContact O-N 2.91Å; V684-L686 VanDerWaalsContact C-N 3.33Å; V684-L686 PolarHBondContact O-N 3.43Å; V684-S687 PolarHBondContact O-OG 2.83Å
685G59.8Low77.6Confident30 Ų3072.2 Ų72.231%0.30943%0.429SS..G310 helixtrans-77.7-7.6-175.500000115.8E683 S687 G688E683-G685 PolarHBondContact O-N 3.19Å; E683-G685 VanDerWaalsContact O-N 3.16Å; G685-S687 PolarHBondContact O-N 2.87Å; G685-G688 PolarHBondContact O-N 2.54Å
686L64.3Low78.2Confident60 Ų6069.7 Ų69.731%0.31440%0.402SS..G310 helixtrans-63.3-23.2177-63.7174.2000112.8V680 E683 V684 G688 L689 R694 V697V680-L686 HydrophobicContact CG1-CD2 4.25Å; E683-L686 WeakPolarHBondContact O-CG 3.36Å; E683-L686 PolarHBondContact O-N 3.05Å; V684-L686 VanDerWaalsContact C-N 3.33Å; V684-L686 PolarHBondContact O-N 3.43Å; L686-G688 PolarHBondContact O-N 3.48Å; L686-L689 HydrophobicContact CD2-CD1 3.82Å; L686-L689 PolarHBondContact O-N 3.34Å; L686-R694 PolarHBondContact O-NE 2.86Å; L686-R694 VanDerWaalsContact O-NE 3.14Å; L686-V697 HydrophobicContact CD2-CG1 4.12Å; L686-V697 HydrophobicContact CD2-CG2 4.35Å
687S63.6Low78.6Confident88 Ų8864.3 Ų64.362%0.61538%0.379SS*.G310 helixtrans-55.2-34173.254.50000113.5V684 G685 R694V684-S687 PolarHBondContact O-OG 2.83Å; G685-S687 PolarHBondContact O-N 2.87Å; S687-R694 PolarHBondContact O-NH2 2.96Å
688G68.7Low78.8Confident67 Ų6767.8 Ų67.869%0.69139%0.389SS*.G310 helixtrans-82.8-4.6-17900000116G685 L686G685-G688 PolarHBondContact O-N 2.54Å; L686-G688 PolarHBondContact O-N 3.48Å
689L80.1Confident79.1Confident11 Ų1166.5 Ų66.56%0.05839%0.386CS..SBendtrans-81.8151.4-178-66.2179.4000113V670 Y678 V680 L686 R694 V697V670-L689 HydrophobicContact CG2-CD1 4.38Å; Y678-L689 HydrophobicContact CD1-CD2 4.34Å; Y678-L689 HydrophobicContact CD2-CD2 4.44Å; Y678-L689 HydrophobicContact CG-CD2 3.95Å; V680-L689 HydrophobicContact CG2-CD1 4.1Å; V680-L689 HydrophobicContact CG2-CD2 3.94Å; V680-L689 HydrophobicContact CG2-CG 4.07Å; L686-L689 HydrophobicContact CD2-CD1 3.82Å; L686-L689 PolarHBondContact O-N 3.34Å; L689-R694 HydrophobicContact CB-CG 3.81Å; L689-R694 PolarHBondContact O-NE 3.38Å; L689-V697 HydrophobicContact CD1-CG2 4.15Å
690S84.4Confident79.4Confident32 Ų3262.7 Ų62.722%0.22436%0.363CS..  trans-61.9153.4168.168.50000110.7E672 E692 S693 R694E672-S690 PolarHBondContact OE1-OG 3.22Å; S690-E692 PolarHBondContact O-N 3.13Å; S690-S693 PolarHBondContact O-N 2.87Å; S690-S693 WeakPolarHBondContact OG-CB 3.33Å; S690-S693 PolarHBondContact OG-N 3.07Å; S690-S693 PolarHBondContact OG-OG 3.03Å; S690-S693 VanDerWaalsContact OG-OG 3.13Å; S690-R694 PolarHBondContact O-N 2.87Å
691P85.2Confident79.7Confident108 Ų10864.7 Ų64.770%0.70137%0.373SS*.Hα-helixtrans-56.8-37.5176.9-26.135.4000113R694 L695P691-R694 PolarHBondContact O-N 2.82Å; P691-L695 PolarHBondContact O-N 3.3Å; P691-L695 VanDerWaalsContact O-N 3.14Å
692E85.1Confident80.4Confident69 Ų6962.9 Ų62.932%0.32237%0.367SS..Hα-helixtrans-63.1-45.7174.1-165.5175.114400111.2R673 S690 R694 L695 Y696R673-E692 IonicContact CZ-OE1 2.82Å; R673-E692 VanDerWaalsContact CZ-OE1 3.3Å; R673-E692 IonicContact CZ-OE2 2.82Å; R673-E692 IonicContact NE-OE1 3.29Å; R673-E692 PolarHBondContact NE-OE1 3.34Å; R673-E692 IonicContact NE-OE2 3.3Å; R673-E692 VanDerWaalsContact NH2-CD 3.3Å; R673-E692 IonicContact NH2-OE1 2.89Å; R673-E692 PolarHBondContact NH2-OE1 2.82Å; R673-E692 IonicContact NH2-OE2 2.7Å; R673-E692 PolarHBondContact NH2-OE2 3.28Å; S690-E692 PolarHBondContact O-N 3.13Å; E692-R694 PolarHBondContact O-N 3.37Å; E692-L695 PolarHBondContact O-N 3.03Å; E692-Y696 HydrophobicContact CG-CE2 3.81Å; E692-Y696 WeakPolarHBondContact O-CD2 3.43Å; E692-Y696 PolarHBondContact O-N 3.3Å
693S87.9Confident81.7Confident0 Ų060.5 Ų60.50%034%0.342CS..Hα-helixtrans-64.9-32.4174.6-77.70000114E672 S690 V697E672-S693 WeakPolarHBondContact CG-OG 3.48Å; E672-S693 PolarHBondContact OE1-OG 3.41Å; S690-S693 PolarHBondContact O-N 2.87Å; S690-S693 WeakPolarHBondContact OG-CB 3.33Å; S690-S693 PolarHBondContact OG-N 3.07Å; S690-S693 PolarHBondContact OG-OG 3.03Å; S690-S693 VanDerWaalsContact OG-OG 3.13Å; S693-V697 PolarHBondContact O-N 3.07Å
694R88.9Confident83.4Confident104 Ų10453.9 Ų53.939%0.39231%0.311SS..Hα-helixtrans-68.1-44.8175.4-68.3-176-168159.27111.6L686 S687 L689 S690 P691 E692 Y696 V697 E698L686-R694 PolarHBondContact O-NE 2.86Å; L686-R694 VanDerWaalsContact O-NE 3.14Å; S687-R694 PolarHBondContact O-NH2 2.96Å; L689-R694 HydrophobicContact CB-CG 3.81Å; L689-R694 PolarHBondContact O-NE 3.38Å; S690-R694 PolarHBondContact O-N 2.87Å; P691-R694 PolarHBondContact O-N 2.82Å; E692-R694 PolarHBondContact O-N 3.37Å; R694-Y696 VanDerWaalsContact C-N 3.26Å; R694-Y696 PolarHBondContact O-N 3.5Å; R694-V697 WeakPolarHBondContact O-CA 3.35Å; R694-V697 WeakPolarHBondContact O-CB 3.44Å; R694-V697 PolarHBondContact O-N 2.91Å; R694-E698 PolarHBondContact O-N 3.19Å
695L90.4Very high85.2Confident63 Ų6351 Ų5133%0.3330%0.297SS..Hα-helixtrans-58.8-37.2176.3-17760.9000112.2P691 E692 V697 E698 L699 L742P691-L695 PolarHBondContact O-N 3.3Å; P691-L695 VanDerWaalsContact O-N 3.14Å; E692-L695 PolarHBondContact O-N 3.03Å; L695-V697 VanDerWaalsContact C-N 3.29Å; L695-V697 PolarHBondContact O-N 2.87Å; L695-E698 PolarHBondContact O-N 2.99Å; L695-L699 HydrophobicContact CD1-CD1 4.19Å; L695-L699 HydrophobicContact CD1-CG 4.2Å; L695-L699 HydrophobicContact CG-CD1 4.07Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 WeakPolarHBondContact O-CG 3.45Å; L695-L699 PolarHBondContact O-N 3.17Å; L695-L742 HydrophobicContact CD2-CD1 4.21Å; L695-L742 HydrophobicContact CD2-CD2 4.4Å
696Y93Very high86.9Confident4 Ų453.6 Ų53.62%0.01630%0.302CS..Hα-helixtrans-67.5-22.5172.6-65.9-48.2000114.3F655 D657 A659 T661 V670 E692 R694 S700 L742F655-Y696 HydrophobicContact CB-CE1 4.24Å; F655-Y696 AromaticContact CD1-CD1 3.74Å; F655-Y696 HydrophobicContact CD1-CD1 3.74Å; F655-Y696 HydrophobicContact CD1-CE1 4.06Å; F655-Y696 AromaticContact CD2-CD1 3.8Å; F655-Y696 HydrophobicContact CD2-CD1 3.8Å; F655-Y696 HydrophobicContact CD2-CE1 4.32Å; F655-Y696 HydrophobicContact CD2-CG 4.44Å; F655-Y696 AromaticContact CE1-CD1 3.84Å; F655-Y696 HydrophobicContact CE1-CD1 3.84Å; F655-Y696 AromaticContact CE2-CD1 3.9Å; F655-Y696 HydrophobicContact CE2-CD1 3.9Å; F655-Y696 HydrophobicContact CE2-CG 4.31Å; F655-Y696 AromaticContact CG-CD1 3.73Å; F655-Y696 HydrophobicContact CG-CD1 3.73Å; F655-Y696 AromaticContact CG-CE1 3.93Å; F655-Y696 HydrophobicContact CG-CE1 3.93Å; F655-Y696 AromaticContact CZ-CD1 3.93Å; F655-Y696 HydrophobicContact CZ-CD1 3.93Å; F655-Y696 HydrophobicContact CZ-CG 4.5Å; F655-Y696 WeakPolarHBondContact CZ-O 3.26Å; D657-Y696 WeakPolarHBondContact OD2-CE1 3.17Å; D657-Y696 PolarHBondContact OD2-OH 3.34Å; A659-Y696 HydrophobicContact CB-CD1 4.11Å; A659-Y696 HydrophobicContact CB-CD2 4Å; A659-Y696 HydrophobicContact CB-CE1 3.59Å; A659-Y696 HydrophobicContact CB-CE2 3.47Å; A659-Y696 VanDerWaalsContact CB-CE2 3.47Å; A659-Y696 HydrophobicContact CB-CG 4.31Å; A659-Y696 WeakPolarHBondContact CB-OH 3.42Å; T661-Y696 WeakPolarHBondContact CG2-O 3.43Å; V670-Y696 HydrophobicContact CG1-CD2 4.42Å; E692-Y696 HydrophobicContact CG-CE2 3.81Å; E692-Y696 WeakPolarHBondContact O-CD2 3.43Å; E692-Y696 PolarHBondContact O-N 3.3Å; R694-Y696 VanDerWaalsContact C-N 3.26Å; R694-Y696 PolarHBondContact O-N 3.5Å; Y696-S700 VanDerWaalsContact O-CB 3.29Å; Y696-S700 WeakPolarHBondContact O-CB 3.46Å; Y696-S700 PolarHBondContact O-N 3.26Å; Y696-L742 HydrophobicContact CE1-CD1 4.39Å
697V91.6Very high88.3Confident7 Ų750.7 Ų50.74%0.04229%0.287CS..Hα-helixtrans-80.7-46.3171.7177.30000110.2V668 V670 L686 L689 S693 R694 L695 L699 S700 D701V668-V697 HydrophobicContact CG1-CG2 4.07Å; V670-V697 HydrophobicContact CG2-CG2 3.64Å; L686-V697 HydrophobicContact CD2-CG1 4.12Å; L686-V697 HydrophobicContact CD2-CG2 4.35Å; L689-V697 HydrophobicContact CD1-CG2 4.15Å; S693-V697 PolarHBondContact O-N 3.07Å; R694-V697 WeakPolarHBondContact O-CA 3.35Å; R694-V697 WeakPolarHBondContact O-CB 3.44Å; R694-V697 PolarHBondContact O-N 2.91Å; L695-V697 VanDerWaalsContact C-N 3.29Å; L695-V697 PolarHBondContact O-N 2.87Å; V697-L699 PolarHBondContact O-N 3.06Å; V697-S700 WeakPolarHBondContact O-CA 3.4Å; V697-S700 VanDerWaalsContact O-CB 3.26Å; V697-S700 WeakPolarHBondContact O-CB 3.39Å; V697-S700 PolarHBondContact O-N 2.92Å; V697-D701 PolarHBondContact O-N 3.3Å
698E91.9Very high89.7Confident123 Ų12349.8 Ų49.858%0.57528%0.275SS*.Hα-helixtrans-56.7-48.8178.2-69.3163.1-158.200111.8R694 L695 S700 D701 E702R694-E698 PolarHBondContact O-N 3.19Å; L695-E698 PolarHBondContact O-N 2.99Å; E698-S700 VanDerWaalsContact C-N 3.26Å; E698-S700 PolarHBondContact O-N 3.15Å; E698-D701 PolarHBondContact O-N 3.42Å; E698-E702 PolarHBondContact O-N 2.93Å
699L93.3Very high90.9Very high24 Ų2450.2 Ų50.213%0.12627%0.267CS..Hα-helixtrans-68-22.9175.3-67.8173.4000113.6F637 F655 L695 V697 G703F637-L699 HydrophobicContact CB-CD1 4.37Å; F637-L699 HydrophobicContact CD2-CD1 4.24Å; F637-L699 HydrophobicContact CD2-CD2 3.85Å; F637-L699 HydrophobicContact CE2-CD2 4.15Å; F637-L699 HydrophobicContact CG-CD1 4.37Å; F655-L699 HydrophobicContact CE1-CB 3.74Å; F655-L699 HydrophobicContact CE1-CD1 3.96Å; F655-L699 HydrophobicContact CZ-CB 4.07Å; L695-L699 HydrophobicContact CD1-CD1 4.19Å; L695-L699 HydrophobicContact CD1-CG 4.2Å; L695-L699 HydrophobicContact CG-CD1 4.07Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 WeakPolarHBondContact O-CG 3.45Å; L695-L699 PolarHBondContact O-N 3.17Å; V697-L699 PolarHBondContact O-N 3.06Å; L699-G703 PolarHBondContact O-N 2.96Å
700S93.9Very high91.5Very high1 Ų152 Ų521%0.00728%0.277CS..Hα-helixtrans-74.2-41.1173.6-162.10000110.7V653 T661 Y696 V697 E698 G703 H704V653-S700 WeakPolarHBondContact CG2-OG 3.49Å; T661-S700 VanDerWaalsContact OG1-CB 3.26Å; T661-S700 WeakPolarHBondContact OG1-CB 3.34Å; T661-S700 PolarHBondContact OG1-OG 3.49Å; Y696-S700 VanDerWaalsContact O-CB 3.29Å; Y696-S700 WeakPolarHBondContact O-CB 3.46Å; Y696-S700 PolarHBondContact O-N 3.26Å; V697-S700 WeakPolarHBondContact O-CA 3.4Å; V697-S700 VanDerWaalsContact O-CB 3.26Å; V697-S700 WeakPolarHBondContact O-CB 3.39Å; V697-S700 PolarHBondContact O-N 2.92Å; E698-S700 VanDerWaalsContact C-N 3.26Å; E698-S700 PolarHBondContact O-N 3.15Å; S700-G703 CarbonylContact O-C 3.58Å; S700-G703 PolarHBondContact O-N 2.75Å; S700-H704 WeakPolarHBondContact O-CB 3.5Å; S700-H704 PolarHBondContact O-N 2.93Å
701D92.4Very high91.9Very high55 Ų5551.5 Ų51.529%0.29427%0.271SS..Hα-helixtrans-75.5-32.5-179.8-76.3-20.1000113.2K663 V697 E698 H704 S705K663-D701 VanDerWaalsContact CD-OD1 3.24Å; K663-D701 WeakPolarHBondContact CD-OD1 3.31Å; K663-D701 WeakPolarHBondContact CE-OD1 3.45Å; K663-D701 IonicContact NZ-OD1 3.58Å; K663-D701 PolarHBondContact NZ-OD1 3.04Å; K663-D701 IonicContact NZ-OD2 3.03Å; K663-D701 PolarHBondContact NZ-OD2 3.39Å; V697-D701 PolarHBondContact O-N 3.3Å; E698-D701 PolarHBondContact O-N 3.42Å; D701-H704 WeakPolarHBondContact O-CB 3.31Å; D701-H704 PolarHBondContact O-N 3.05Å; D701-S705 PolarHBondContact O-N 2.86Å
702E93.9Very high92.2Very high115 Ų11549.4 Ų49.454%0.53726%0.262SS..Hα-helixtrans-57.6-52.2163.9-176.2-173.3-160.500110.5E698 H704 S705 M706E698-E702 PolarHBondContact O-N 2.93Å; E702-H704 VanDerWaalsContact C-N 3.27Å; E702-H704 PolarHBondContact O-N 2.9Å; E702-S705 PolarHBondContact O-N 3.11Å; E702-M706 WeakPolarHBondContact O-CG 3.34Å; E702-M706 PolarHBondContact O-N 3.4Å
703G93.9Very high92.5Very high1 Ų149.1 Ų49.11%0.0127%0.272CS..Hα-helixtrans-59.9-34.8177.300000113.5L699 S700 C707L699-G703 PolarHBondContact O-N 2.96Å; S700-G703 CarbonylContact O-C 3.58Å; S700-G703 PolarHBondContact O-N 2.75Å; G703-C707 WeakPolarHBondContact O-CB 3.48Å; G703-C707 PolarHBondContact O-N 3.35Å; G703-C707 PolarHBondContact O-SG 3.18Å; G703-C707 VanDerWaalsContact O-SG 3.37Å
704H93.8Very high92.6Very high37 Ų3750.3 Ų50.317%0.17128%0.278CS..Hα-helixtrans-64.7-50.6175.4-164-176.3000111.3L651 S700 D701 E702 M706 C707 L708L651-H704 HydrophobicContact CD1-CB 4.28Å; L651-H704 HydrophobicContact CD2-CB 3.65Å; S700-H704 WeakPolarHBondContact O-CB 3.5Å; S700-H704 PolarHBondContact O-N 2.93Å; D701-H704 WeakPolarHBondContact O-CB 3.31Å; D701-H704 PolarHBondContact O-N 3.05Å; E702-H704 VanDerWaalsContact C-N 3.27Å; E702-H704 PolarHBondContact O-N 2.9Å; H704-M706 VanDerWaalsContact C-N 3.3Å; H704-M706 PolarHBondContact O-N 3.36Å; H704-C707 PolarHBondContact O-N 3.43Å; H704-C707 VanDerWaalsContact O-N 3.08Å; H704-L708 WeakPolarHBondContact O-CG 3.38Å; H704-L708 PolarHBondContact O-N 3.36Å
705S94.1Very high92.6Very high73 Ų7347.5 Ų47.551%0.5127%0.273SS..Hα-helixtrans-58.1-41.7178.4-174.90000111.8D701 E702 S709D701-S705 PolarHBondContact O-N 2.86Å; E702-S705 PolarHBondContact O-N 3.11Å; S705-S709 WeakPolarHBondContact O-CB 3.43Å; S705-S709 PolarHBondContact O-N 2.91Å; S705-S709 PolarHBondContact O-OG 3.19Å
706M94.1Very high92.5Very high83 Ų8347.5 Ų47.541%0.40928%0.281SS..Hα-helixtrans-60.9-48.8172-67.7-175.475.400112.1L633 E702 H704 L708 S709 L710L633-M706 HydrophobicContact CD2-CB 3.57Å; L633-M706 HydrophobicContact CD2-CE 4.01Å; L633-M706 HydrophobicContact CD2-CG 4.4Å; L633-M706 HydrophobicContact CD2-SD 3.98Å; E702-M706 WeakPolarHBondContact O-CG 3.34Å; E702-M706 PolarHBondContact O-N 3.4Å; H704-M706 VanDerWaalsContact C-N 3.3Å; H704-M706 PolarHBondContact O-N 3.36Å; M706-L708 PolarHBondContact O-N 3.18Å; M706-S709 PolarHBondContact O-N 2.81Å; M706-L710 WeakPolarHBondContact O-CB 3.42Å; M706-L710 WeakPolarHBondContact O-CD1 3.41Å; M706-L710 VanDerWaalsContact O-CG 3.23Å; M706-L710 WeakPolarHBondContact O-CG 3.34Å; M706-L710 PolarHBondContact O-N 3.05Å
707C95Very high92.2Very high0 Ų051.5 Ų51.50%030%0.3CS..Hα-helixtrans-63.4-40.5-179.3-77.10000113.2V631 V640 L642 G703 H704 L710 E711V631-C707 HydrophobicContact CG1-CB 4.46Å; V640-C707 VanDerWaalsContact CG1-SG 3.58Å; L642-C707 HydrophobicContact CB-CB 3.91Å; L642-C707 HydrophobicContact CD2-CB 3.95Å; L642-C707 HydrophobicContact CG-CB 4.43Å; G703-C707 WeakPolarHBondContact O-CB 3.48Å; G703-C707 PolarHBondContact O-N 3.35Å; G703-C707 PolarHBondContact O-SG 3.18Å; G703-C707 VanDerWaalsContact O-SG 3.37Å; H704-C707 PolarHBondContact O-N 3.43Å; H704-C707 VanDerWaalsContact O-N 3.08Å; C707-L710 PolarHBondContact O-N 3.29Å; C707-E711 WeakPolarHBondContact O-CB 3.41Å; C707-E711 PolarHBondContact O-N 3.14Å
708L92.8Very high91.9Very high69 Ų6952.9 Ų52.936%0.36131%0.306SS..Hα-helixtrans-66.2-40.7175.1-68.4171.5000111.8L642 H704 M706 L710 E711 A712L642-L708 HydrophobicContact CD2-CD2 4.06Å; H704-L708 WeakPolarHBondContact O-CG 3.38Å; H704-L708 PolarHBondContact O-N 3.36Å; M706-L708 PolarHBondContact O-N 3.18Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-L710 PolarHBondContact O-N 3.16Å; L708-E711 PolarHBondContact O-N 3.13Å; L708-A712 WeakPolarHBondContact O-CB 3.24Å; L708-A712 PolarHBondContact O-N 3.12Å
709S93.4Very high91.5Very high75 Ų7554.6 Ų54.652%0.52431%0.314SS..Hα-helixtrans-62.9-40.2175.8-59.40000111.8S705 M706 A713S705-S709 WeakPolarHBondContact O-CB 3.43Å; S705-S709 PolarHBondContact O-N 2.91Å; S705-S709 PolarHBondContact O-OG 3.19Å; M706-S709 PolarHBondContact O-N 2.81Å; S709-A713 WeakPolarHBondContact O-CB 3.45Å; S709-A713 PolarHBondContact O-N 3.38Å
710L92.8Very high91.1Very high49 Ų4962.7 Ų62.726%0.25734%0.343SS..Hα-helixtrans-68.8-42.5174.9-70.8163.5000111.8L633 M706 C707 L708 A712 A713 I714 I732L633-L710 HydrophobicContact CD1-CD1 4.29Å; L633-L710 HydrophobicContact CD2-CD1 4.33Å; M706-L710 WeakPolarHBondContact O-CB 3.42Å; M706-L710 WeakPolarHBondContact O-CD1 3.41Å; M706-L710 VanDerWaalsContact O-CG 3.23Å; M706-L710 WeakPolarHBondContact O-CG 3.34Å; M706-L710 PolarHBondContact O-N 3.05Å; C707-L710 PolarHBondContact O-N 3.29Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-L710 PolarHBondContact O-N 3.16Å; L710-A712 PolarHBondContact O-N 3.43Å; L710-A713 PolarHBondContact O-N 2.97Å; L710-I714 WeakPolarHBondContact O-CB 3.26Å; L710-I714 WeakPolarHBondContact O-CD1 3.26Å; L710-I714 WeakPolarHBondContact O-CG1 3.29Å; L710-I714 PolarHBondContact O-N 2.93Å; L710-I732 HydrophobicContact CB-CD1 4.45Å; L710-I732 HydrophobicContact CD1-CD1 3.79Å; L710-I732 HydrophobicContact CD2-CD1 3.98Å; L710-I732 HydrophobicContact CG-CD1 4.29Å
711E92.8Very high90.3Very high22 Ų2264.5 Ų64.510%0.10336%0.356CS..Hα-helixtrans-57.5-48.4174.2-178.8-176.8-164.300111.1K630 L642 S646 C707 L708 T715 F728K630-E711 IonicContact NZ-OE1 3.9Å; K630-E711 PolarHBondContact NZ-OE1 3.26Å; L642-E711 WeakPolarHBondContact CD2-OE2 3.44Å; S646-E711 PolarHBondContact OG-OE1 2.69Å; C707-E711 WeakPolarHBondContact O-CB 3.41Å; C707-E711 PolarHBondContact O-N 3.14Å; L708-E711 PolarHBondContact O-N 3.13Å; E711-T715 VanDerWaalsContact O-CB 3.23Å; E711-T715 WeakPolarHBondContact O-CB 3.43Å; E711-T715 PolarHBondContact O-N 3.45Å; E711-T715 PolarHBondContact O-OG1 2.92Å; E711-F728 HydrophobicContact CG-CZ 4.22Å
712A91.4Very high89.1Confident63 Ų6367.2 Ų67.252%0.52139%0.386SS..Hα-helixtrans-62.4-47.5178.900000112.3L708 L710 T715 A716L708-A712 WeakPolarHBondContact O-CB 3.24Å; L708-A712 PolarHBondContact O-N 3.12Å; L710-A712 PolarHBondContact O-N 3.43Å; A712-T715 PolarHBondContact O-N 2.98Å; A712-A716 WeakPolarHBondContact O-CB 3.39Å; A712-A716 PolarHBondContact O-N 3.42Å
713A91.6Very high87.8Confident63 Ų6369.5 Ų69.552%0.52139%0.394SS..Hα-helixtrans-63.8-43.5179.800000112.7S709 L710 A716 E717S709-A713 WeakPolarHBondContact O-CB 3.45Å; S709-A713 PolarHBondContact O-N 3.38Å; L710-A713 PolarHBondContact O-N 2.97Å; A713-A716 PolarHBondContact O-N 2.84Å; A713-E717 PolarHBondContact O-N 2.63Å
714I90.4Very high86.3Confident26 Ų2679.4 Ų79.413%0.13344%0.437CS..Hα-helixtrans-68.6-42.2178.1-66.1164.5000110.5L710 A716 E717 E718 F727 F728 I730L710-I714 WeakPolarHBondContact O-CB 3.26Å; L710-I714 WeakPolarHBondContact O-CD1 3.26Å; L710-I714 WeakPolarHBondContact O-CG1 3.29Å; L710-I714 PolarHBondContact O-N 2.93Å; I714-A716 VanDerWaalsContact C-N 3.31Å; I714-A716 PolarHBondContact O-N 3.21Å; I714-E717 PolarHBondContact O-N 2.92Å; I714-E717 VanDerWaalsContact O-N 3.16Å; I714-E718 PolarHBondContact O-N 3.3Å; I714-F727 HydrophobicContact CG2-CB 3.62Å; I714-F727 HydrophobicContact CG2-CD2 4Å; I714-F727 HydrophobicContact CG2-CG 4.22Å; I714-F728 HydrophobicContact CB-CE1 4.33Å; I714-F728 HydrophobicContact CB-CE2 4.38Å; I714-F728 HydrophobicContact CB-CZ 3.76Å; I714-F728 HydrophobicContact CD1-CE1 4.36Å; I714-F728 HydrophobicContact CG2-CD2 4.47Å; I714-F728 HydrophobicContact CG2-CE1 4.07Å; I714-F728 HydrophobicContact CG2-CE2 3.78Å; I714-F728 HydrophobicContact CG2-CZ 3.55Å; I714-I730 HydrophobicContact CD1-CD1 3.67Å; I714-I730 HydrophobicContact CD1-CG2 4.05Å
715T87.8Confident85.3Confident45 Ų4581.4 Ų81.428%0.27645%0.452SS..Hα-helixtrans-63.2-37.2177.7-54.90000111.5E711 A712 E717 E718 Q719E711-T715 VanDerWaalsContact O-CB 3.23Å; E711-T715 WeakPolarHBondContact O-CB 3.43Å; E711-T715 PolarHBondContact O-N 3.45Å; E711-T715 PolarHBondContact O-OG1 2.92Å; A712-T715 PolarHBondContact O-N 2.98Å; T715-E717 VanDerWaalsContact C-N 3.33Å; T715-E717 PolarHBondContact O-N 3.25Å; T715-E718 PolarHBondContact O-N 3.05Å; T715-Q719 WeakPolarHBondContact O-CG 3.33Å; T715-Q719 PolarHBondContact O-N 3.27Å; T715-Q719 VanDerWaalsContact O-N 3.1Å
716A88.8Confident84.6Confident62 Ų6282 Ų8251%0.51245%0.454SS..Hα-helixtrans-62.2-38.6174.500000112.4A712 A713 I714 Q719 R720A712-A716 WeakPolarHBondContact O-CB 3.39Å; A712-A716 PolarHBondContact O-N 3.42Å; A713-A716 PolarHBondContact O-N 2.84Å; I714-A716 VanDerWaalsContact C-N 3.31Å; I714-A716 PolarHBondContact O-N 3.21Å; A716-Q719 PolarHBondContact O-N 2.98Å; A716-R720 WeakPolarHBondContact O-CB 3.34Å; A716-R720 PolarHBondContact O-N 2.85Å; A716-R720 VanDerWaalsContact O-N 3.1Å
717E87.4Confident84.1Confident88 Ų8882.6 Ų82.641%0.41145%0.454SS..Hα-helixtrans-78.2-30.2176.9-162.663.1-155.500112.5A713 I714 T715 Q719 R720 S721A713-E717 PolarHBondContact O-N 2.63Å; I714-E717 PolarHBondContact O-N 2.92Å; I714-E717 VanDerWaalsContact O-N 3.16Å; T715-E717 VanDerWaalsContact C-N 3.33Å; T715-E717 PolarHBondContact O-N 3.25Å; E717-Q719 VanDerWaalsContact C-N 3.28Å; E717-Q719 PolarHBondContact O-N 2.91Å; E717-R720 PolarHBondContact O-N 3.43Å; E717-R720 VanDerWaalsContact OE2-CD 3.24Å; E717-R720 WeakPolarHBondContact OE2-CD 3.32Å; E717-R720 IonicContact OE2-NH1 3.27Å; E717-R720 PolarHBondContact OE2-NH1 3Å; E717-S721 WeakPolarHBondContact O-CB 3.28Å; E717-S721 PolarHBondContact O-N 3.46Å
718E85.1Confident83.8Confident37 Ų3783 Ų8317%0.17346%0.456CS..Hα-helixtrans-57.2-41.3167-73-167.9155.600111.3I714 T715 P726 F727 F728I714-E718 PolarHBondContact O-N 3.3Å; T715-E718 PolarHBondContact O-N 3.05Å; E718-P726 WeakPolarHBondContact OE1-CA 3.49Å; E718-F727 HydrophobicContact CG-CD2 3.58Å; E718-F727 HydrophobicContact CG-CE2 4.24Å; E718-F727 HydrophobicContact CG-CG 4.44Å; E718-F727 PolarHBondContact OE1-N 2.87Å; E718-F728 WeakPolarHBondContact OE1-CD2 3.16Å
719Q83.4Confident83.7Confident159 Ų15984 Ų8474%0.74347%0.467SS*.Hα-helixtrans-74.2-27.4177.6-64-66-19.100113.2T715 A716 E717T715-Q719 WeakPolarHBondContact O-CG 3.33Å; T715-Q719 PolarHBondContact O-N 3.27Å; T715-Q719 VanDerWaalsContact O-N 3.1Å; A716-Q719 PolarHBondContact O-N 2.98Å; E717-Q719 VanDerWaalsContact C-N 3.28Å; E717-Q719 PolarHBondContact O-N 2.91Å
720R83.4Confident83.6Confident193 Ų19382.6 Ų82.673%0.72845%0.453SS*.Hα-helixtrans-80.4-31178.3-165.6-172.6-172.9-173.21.9112.9A716 E717 A722A716-R720 WeakPolarHBondContact O-CB 3.34Å; A716-R720 PolarHBondContact O-N 2.85Å; A716-R720 VanDerWaalsContact O-N 3.1Å; E717-R720 PolarHBondContact O-N 3.43Å; E717-R720 VanDerWaalsContact OE2-CD 3.24Å; E717-R720 WeakPolarHBondContact OE2-CD 3.32Å; E717-R720 IonicContact OE2-NH1 3.27Å; E717-R720 PolarHBondContact OE2-NH1 3Å; R720-A722 PolarHBondContact O-N 3.07Å
721S78.4Confident83.7Confident40 Ų4084.7 Ų84.728%0.2847%0.468SS..  trans-69.4115.3-178.2177.10000111.8E717 K723E717-S721 WeakPolarHBondContact O-CB 3.28Å; E717-S721 PolarHBondContact O-N 3.46Å; S721-K723 WeakPolarHBondContact CB-O 3.36Å; S721-K723 CarbonylContact O-C 3.57Å; S721-K723 PolarHBondContact O-N 3.28Å; S721-K723 PolarHBondContact OG-N 3.33Å; S721-K723 PolarHBondContact OG-O 2.87Å
722A67.3Low83.7Confident111 Ų11185.9 Ų85.992%0.91747%0.474SS*.SBendtrans-59.4-15.8171.200000113.6R720R720-A722 PolarHBondContact O-N 3.07Å
723K65.4Low83.7Confident163 Ų16385.2 Ų85.271%0.70947%0.473SS*.SBendtrans-98.2114168.4-63.7179.4-179.8177.80108.8S721 V725S721-K723 WeakPolarHBondContact CB-O 3.36Å; S721-K723 CarbonylContact O-C 3.57Å; S721-K723 PolarHBondContact O-N 3.28Å; S721-K723 PolarHBondContact OG-N 3.33Å; S721-K723 PolarHBondContact OG-O 2.87Å; K723-V725 HydrophobicContact CB-CG2 4.12Å; K723-V725 PolarHBondContact O-N 2.82Å
724K63.9Low83.5Confident209 Ų20992.9 Ų92.991%0.90949%0.488SS*.  trans-68.465.5176.3-65.9-174.4176.8-175.80112.5
725V71.1Confident83.3Confident80 Ų8098.9 Ų98.949%0.48551%0.51SS..  trans-99.8120.1176.4-179.20000108.2K723K723-V725 HydrophobicContact CB-CG2 4.12Å; K723-V725 PolarHBondContact O-N 2.82Å
726P79.5Confident83.1Confident85 Ų8599.1 Ų99.155%0.55251%0.512SS*.  trans-73.4134.1174.929.8-33000110.6E718E718-P726 WeakPolarHBondContact OE1-CA 3.49Å
727F85Confident81.9Confident95 Ų95101.7 Ų101.742%0.41753%0.533SS..  trans-93.4-16.7173.2-64.8-57.2000112.7I714 E718I714-F727 HydrophobicContact CG2-CB 3.62Å; I714-F727 HydrophobicContact CG2-CD2 4Å; I714-F727 HydrophobicContact CG2-CG 4.22Å; E718-F727 HydrophobicContact CG-CD2 3.58Å; E718-F727 HydrophobicContact CG-CE2 4.24Å; E718-F727 HydrophobicContact CG-CG 4.44Å; E718-F727 PolarHBondContact OE1-N 2.87Å
728F88.8Confident80.3Confident9 Ų9101.8 Ų101.84%0.03954%0.543CS..  trans-88.6144.7175.5-58.6-73.1000112.4R526 K630 V631 E711 I714 E718 I730R526-F728 WeakPolarHBondContact CD-O 3.43Å; K630-F728 HydrophobicContact CD-CD1 4.37Å; K630-F728 HydrophobicContact CG-CB 4.2Å; K630-F728 HydrophobicContact CG-CD1 3.62Å; K630-F728 HydrophobicContact CG-CE1 4.18Å; K630-F728 HydrophobicContact CG-CG 3.97Å; V631-F728 HydrophobicContact CG2-CD1 4.25Å; V631-F728 HydrophobicContact CG2-CE1 3.86Å; E711-F728 HydrophobicContact CG-CZ 4.22Å; I714-F728 HydrophobicContact CB-CE1 4.33Å; I714-F728 HydrophobicContact CB-CE2 4.38Å; I714-F728 HydrophobicContact CB-CZ 3.76Å; I714-F728 HydrophobicContact CD1-CE1 4.36Å; I714-F728 HydrophobicContact CG2-CD2 4.47Å; I714-F728 HydrophobicContact CG2-CE1 4.07Å; I714-F728 HydrophobicContact CG2-CE2 3.78Å; I714-F728 HydrophobicContact CG2-CZ 3.55Å; E718-F728 WeakPolarHBondContact OE1-CD2 3.16Å; F728-I730 HydrophobicContact CD1-CG2 4.24Å; F728-I730 HydrophobicContact CE1-CG2 4.38Å
729P90.6Very high78.4Confident91 Ų91104.6 Ų104.659%0.59157%0.567SS**SBendcis-80.1138.90.332.6-35.5000112.9P629 K630P629-P729 WeakPolarHBondContact O-CB 3.14Å; K630-P729 VanDerWaalsContact O-CA 3.3Å; K630-P729 WeakPolarHBondContact O-CA 3.22Å
730I91.6Very high76.4Confident45 Ų45103 Ų10323%0.23156%0.56CS.*EExtended strand (participates in β ladder)trans-110.7149.4-175.2-161.6170.4000112.4K630 V631 T632 I714 F728 I732K630-I730 PolarHBondContact O-N 3.5Å; V631-I730 HydrophobicContact CB-CG2 4.34Å; V631-I730 HydrophobicContact CG1-CG2 4.07Å; V631-I730 HydrophobicContact CG2-CG2 4.11Å; T632-I730 PolarHBondContact N-O 2.89Å; I714-I730 HydrophobicContact CD1-CD1 3.67Å; I714-I730 HydrophobicContact CD1-CG2 4.05Å; F728-I730 HydrophobicContact CD1-CG2 4.24Å; F728-I730 HydrophobicContact CE1-CG2 4.38Å; I730-I732 HydrophobicContact CD1-CD1 4.28Å; I730-I732 HydrophobicContact CD1-CG1 4.26Å; I730-I732 HydrophobicContact CG1-CG1 4.21Å; I730-I732 HydrophobicContact CG2-CD1 4.24Å
731T94.1Very high74.6Confident93 Ų9398.4 Ų98.457%0.57156%0.557SS**EExtended strand (participates in β ladder)trans-125.2126.8171.3-63.60000110.4T632 Y634T632-T731 HydrophobicContact CG2-CG2 4.04Å; T632-T731 CarbonylContact O-C 3.54Å; T632-T731 WeakPolarHBondContact O-CA 3.36Å; Y634-T731 HydrophobicContact CD2-CG2 4.21Å; Y634-T731 HydrophobicContact CE2-CG2 3.8Å
732I93.3Very high73.1Confident47 Ų47100.3 Ų100.324%0.24156%0.564CS.*EExtended strand (participates in β ladder)trans-123.4130.8-172.8-64166.6000109.3T632 L633 Y634 L710 I730T632-I732 PolarHBondContact O-N 2.99Å; L633-I732 HydrophobicContact CD1-CB 4.17Å; L633-I732 HydrophobicContact CD1-CG2 3.86Å; Y634-I732 PolarHBondContact N-O 2.88Å; L710-I732 HydrophobicContact CB-CD1 4.45Å; L710-I732 HydrophobicContact CD1-CD1 3.79Å; L710-I732 HydrophobicContact CD2-CD1 3.98Å; L710-I732 HydrophobicContact CG-CD1 4.29Å; I730-I732 HydrophobicContact CD1-CD1 4.28Å; I730-I732 HydrophobicContact CD1-CG1 4.26Å; I730-I732 HydrophobicContact CG1-CG1 4.21Å; I730-I732 HydrophobicContact CG2-CD1 4.24Å
733G90.2Very high71.6Confident48 Ų48100 Ų10050%0.49556%0.555SS.*SBendtrans76.7-172.9-175.900000114.1
734R88Confident70.4Confident224 Ų22498.1 Ų98.185%0.84556%0.562SS**  trans-146.5158.3174.9-61.6-177.5-176.4167.82.3108.5
735R85.8Confident68.9Low153 Ų15391.7 Ų91.758%0.57756%0.556SS**  trans-57.7130175.8-175.8174.2-173.6170.34.6110.4Y634 Y656Y634-R735 HydrophobicContact CD1-CB 4.19Å; Y634-R735 HydrophobicContact CE1-CB 4.34Å; Y656-R735 HydrophobicContact CD1-CG 4.05Å; Y656-R735 HydrophobicContact CE1-CB 4.35Å; Y656-R735 HydrophobicContact CE1-CG 3.74Å; Y656-R735 HydrophobicContact CE2-CG 4.41Å; Y656-R735 PolarHBondContact O-NH2 3.25Å; Y656-R735 VanDerWaalsContact O-NH2 3.14Å
736P83.8Confident67Low49 Ų4993.7 Ų93.732%0.31857%0.573SS.*  trans-57.9149.2173.6-25.335.1000113Y656Y656-P736 VanDerWaalsContact CE2-CD 3.43Å; Y656-P736 HydrophobicContact CE2-CG 4.05Å
737A64.8Low64.6Low116 Ų11694 Ų9496%0.95958%0.583SS**SBendtrans-81-18.6-177.100000114.1
738S53.8Low62.3Low90 Ų9095.8 Ų95.863%0.62960%0.604SS**SBendtrans-121.6133.5177.747.10000110.2E740S738-E740 PolarHBondContact O-N 2.9Å
739S43.7Very low59.5Low97 Ų97101.1 Ų101.168%0.67864%0.643SS**  trans-95.888.8174.4-171.20000109.3S741S739-S741 PolarHBondContact O-N 2.79Å
740E42.2Very low56.7Low124 Ų124108.1 Ų108.158%0.57966%0.657SS**  trans-62.8119.6162.5-72.8178.4178.400108.4K636 S738K636-E740 WeakPolarHBondContact CE-OE2 3.31Å; K636-E740 IonicContact NZ-OE2 3.22Å; K636-E740 PolarHBondContact NZ-OE2 3.34Å; S738-E740 PolarHBondContact O-N 2.9Å
741S44.6Very low54.4Low98 Ų98111.6 Ų111.669%0.68568%0.683SS**  trans-67.1141.5174.946.40000110.3S739 S743S739-S741 PolarHBondContact O-N 2.79Å; S741-S743 VanDerWaalsContact C-N 3.35Å; S741-S743 PolarHBondContact O-N 2.97Å
742L47.3Very low51.4Low79 Ų79113.8 Ų113.841%0.41470%0.696SS.*  trans-65.892.5174-69167.9000109.7F637 L695 Y696F637-L742 HydrophobicContact CD1-CD2 3.78Å; F637-L742 HydrophobicContact CE1-CD2 3.73Å; F637-L742 HydrophobicContact CG-CD2 4.46Å; F637-L742 HydrophobicContact CZ-CD2 4.38Å; L695-L742 HydrophobicContact CD2-CD1 4.21Å; L695-L742 HydrophobicContact CD2-CD2 4.4Å; Y696-L742 HydrophobicContact CE1-CD1 4.39Å
743S37.2Very low48.8Very low105 Ų105117 Ų11773%0.73472%0.72SS**  trans-102.3150.1169.460.60000110.3S741 G745S741-S743 VanDerWaalsContact C-N 3.35Å; S741-S743 PolarHBondContact O-N 2.97Å; S743-G745 PolarHBondContact O-N 3.19Å
744S40.2Very low47.1Very low123 Ų123119.8 Ų119.886%0.8673%0.729SS**  trans-69.2111.3-167.453.10000113.2
745G30.7Very low44.3Very low75 Ų75116 Ų11677%0.77373%0.725SS**PPolyproline II helixtrans-71.9133.4162.300000111S743S743-G745 PolarHBondContact O-N 3.19Å
746S32Very low41.7Very low122 Ų122116 Ų11685%0.85374%0.736SS**PPolyproline II helixtrans-76.5161.6176.144.90000112.5
747A30Very low39.2Very low92 Ų92117.3 Ų117.376%0.7675%0.751SS**PPolyproline II helixtrans-62.9146.6-170.500000114.2
748P34.9Very low37.6Very low132 Ų132118.1 Ų118.186%0.85774%0.744SS**PPolyproline II helixtrans-72.9130.8177.530.1-34.5000111.8
749S31.6Very low37.1Very low121 Ų121119.4 Ų119.485%0.84675%0.75SS**PPolyproline II helixtrans-81.9154.517049.60000112
750R31.8Very low36.9Very low238 Ų238120.6 Ų120.690%0.89876%0.756SS**PPolyproline II helixtrans-85.7144.1-167.1-174.4178171.2-175.3-3.6112.3
751P42.6Very low36.3Very low118 Ų118123.9 Ų123.977%0.76677%0.768SS**PPolyproline II helixtrans-84.8160.6-171.733.8-37.8000115.2
752V30.7Very low36Very low139 Ų139125 Ų12584%0.84277%0.773SS**  trans-139.5148.1169.9178.50000108.1
753P38.6Very low35.6Very low115 Ų115126.9 Ų126.975%0.74779%0.79SS**  trans-108.7-147.9-157.941.2-27.9000114.6
754P55.7Low35.1Very low106 Ų106130 Ų13069%0.68879%0.793SS**  -124.1-147.1-107.542.5-22.6000114.3
755D29Very low34.4Very low143 Ų143132.1 Ų132.177%0.76579%0.793SS**  trans75140.3178.5-66.9-14.5000115.8
756L30.9Very low34.3Very low154 Ų154134.2 Ų134.281%0.80679%0.791SS**  cis-152.4165.31.8-104.6153.9000106.6
757A30.7Very low34.6Very low76 Ų76133.8 Ų133.863%0.62879%0.785SS**  cis-157.315115.700000114.5
758T30.8Very low34.3Very low134 Ų134135 Ų13582%0.82279%0.788SS**  trans37.1155.9145.344.50000127.4
759P43.3Very low33.9Very low116 Ų116136.2 Ų136.275%0.75378%0.784SS**  trans-108.3-157.2-171.547.5-36.4000112.8
760P40Very low33.6Very low123 Ų123137.9 Ų137.980%0.79978%0.782SS**  cis-143.1-171.313.641.4-17000120.5
761K29.7Very low33.2Very low193 Ų193131.3 Ų131.384%0.83977%0.772SS**  trans-70.7-176.6175.9-53.7176.1178.7175.90113
762P39.4Very low32.4Very low120 Ų120135.6 Ų135.678%0.77978%0.775SS**  cis-133.3-14812.741.8-17.7000112.4
763P37.8Very low32.2Very low120 Ų120136.3 Ų136.378%0.77977%0.774SS**  cis-131.9-101.7-238.8-15.4000117.8
764Q27.5Very low31.5Very low171 Ų171133.4 Ų133.480%0.79977%0.765SS**  trans-156.7160-160.1-62172.4-47.500112.6
765I25.6Very low30.2Very low167 Ų167133.6 Ų133.686%0.85677%0.769SS**  trans-141.5140.7146.4-63.9-173.3000110.3
766T27.8Very low30Very low119 Ų119133.7 Ų133.773%0.7377%0.769SS**  trans-138.7-176.7167.857.60000107.3
767P37.7Very low29.6Very low113 Ų113134.8 Ų134.873%0.73477%0.768SS**  cis-121.8-172.2-2.643-26.5000113.3
768S25.3Very low29.3Very low116 Ų116136.5 Ų136.581%0.81177%0.771SS**  -158.8-146.894.962.30000115.5
769M25.4Very low29Very low158 Ų158135.4 Ų135.478%0.77877%0.769SS**  -172.6175.1-122.2-92.5-80-77.200113.9
770I26.3Very low28.1Very low157 Ų157134.1 Ų134.181%0.80577%0.768SS**  trans72135.1170.4-62.8168.6000114
771S23.6Very low27.2Very low99 Ų99133.3 Ų133.369%0.69277%0.765SS**  cis-166.1-177.2-11.6-172.80000111.4
772Y25Very low27.1Very low208 Ų208131.9 Ų131.982%0.81677%0.766SS**  trans-39.9167.4171-72.3-107.4000116.4
773D27Very low26.5Very low154 Ų154130.4 Ų130.482%0.82476%0.758SS**  cis-160.8-177.420.1-147.5-18.3000113.2
774G24.1Very low26Very low55 Ų55133.6 Ų133.657%0.56776%0.76SS**  trans93100.5131.800000122.8
775S26.6Very low25.8Very low109 Ų109134.2 Ų134.276%0.76276%0.76SS**  trans44.5120.8131.7650000124.5
776D24.8Very low25.6Very low145 Ų145131.8 Ų131.878%0.77576%0.757SS**  75.3137.3123.3-73.8-17.1000127.1
777F23.1Very low25.4Very low177 Ų177131 Ų13178%0.77676%0.756SS**  trans73.1113.3146.1-92.6-103.7000124.7
778T24.9Very low25.9Very low113 Ų113130.5 Ų130.569%0.69375%0.753SS**  trans72.1115139.242.50000124.7
779S23.4Very low25.8Very low111 Ų111132 Ų13278%0.77676%0.756SS**  84.9130127.272.10000123.8
780A24.3Very low26Very low89 Ų89134.3 Ų134.374%0.73676%0.757SS**  trans78.4115.6141.900000123.6
781S22.9Very low26.1Very low105 Ų105132.5 Ų132.573%0.73475%0.745SS**  79.4126.4128.7-66.40000124.3
782L26.5Very low26Very low164 Ų164135.9 Ų135.986%0.85976%0.755SS**  trans64.8130.5143.3-61.2168.7000119
783S26.2Very low26.2Very low89 Ų89130 Ų13062%0.62274%0.744SS**  cis173160.915.257.50000112.3
784K27.1Very low26.3Very low186 Ų186129.6 Ų129.681%0.80975%0.747SS**  trans69.5130145.2-77.4169.6-179.8169.90124.1
785K23.6Very low26.8Very low184 Ų184132.4 Ų132.480%0.875%0.745SS**  trans76.1117.6144.6-74.1-174.3174.1-170.10117.6
786C23Very low26.9Very low117 Ų117132 Ų13279%0.79174%0.742SS**  88.1142.865.8-80.40000112.1
787S23.3Very low27.6Very low101 Ų101131.6 Ų131.671%0.70675%0.746SS**  cis171.9-164.7-7.753.60000107.5
788P47Very low28.7Very low104 Ų104124.1 Ų124.168%0.67572%0.718SS**  cis-123.7-173.2-48.735.5-18.4000112.4
789V24.1Very low30.4Very low146 Ų146126.9 Ų126.989%0.88572%0.721SS**  -161169123.7139.50000108.7
790R29.4Very low32.8Very low208 Ų208125.8 Ų125.879%0.78571%0.709SS**  trans-128.9170.2-155.7-72.8179160.2-161.1-5.9111.6
791Q29.2Very low35.3Very low118 Ų118126 Ų12655%0.55170%0.701SS**  cis-167.9158.7-21.9-108.6176.1-87.500107.2S793Q791-S793 PolarHBondContact NE2-OG 3.28Å
792D21Very low37.7Very low171 Ų171123.8 Ų123.891%0.91468%0.678SS**  -151.8140.2127.7-118-29.3000108.5
793S29Very low40.3Very low83 Ų83118.5 Ų118.558%0.5866%0.655SS**  trans-159.3127.9-164.4580000116.7Q791Q791-S793 PolarHBondContact NE2-OG 3.28Å
794V28.4Very low42.9Very low147 Ų147115.8 Ų115.889%0.89163%0.633SS**  trans-72.5145.4164.8177.30000110.4
795Q34.2Very low45.4Very low114 Ų114111.8 Ų111.853%0.53362%0.616SS.*  trans-72.1144.1-175-73.4166.7-60.800113.4E819Q795-E819 PolarHBondContact NE2-OE1 3.14Å
796S29.3Very low48.1Very low99 Ų99103.5 Ų103.569%0.69258%0.581SS**  trans-104.6130.3176.1174.70000110G798S796-G798 PolarHBondContact O-N 2.98Å
797T39.1Very low50.4Low138 Ų138102.3 Ų102.385%0.84757%0.571SS**  trans-69112-179.7430000111.3
798G46.8Very low52.8Low20 Ų20105.1 Ų105.121%0.20658%0.578CS.*PPolyproline II helixtrans-67.8153.7178.700000113.4S796 L815 T816S796-G798 PolarHBondContact O-N 2.98Å; G798-L815 WeakPolarHBondContact O-CD2 3.22Å; G798-T816 WeakPolarHBondContact CA-OG1 3.44Å
799K60.7Low54.4Low170 Ų170101.3 Ų101.374%0.73955%0.553SS**PPolyproline II helixtrans-74.4147.6159.9-68.8-176.5178.1-178.50108.7V801 L815 T816K799-V801 PolarHBondContact O-N 3.48Å; K799-L815 CarbonylContact O-C 3.52Å; K799-L815 WeakPolarHBondContact O-CA 3.32Å; K799-T816 HydrophobicContact CB-CG2 4.29Å; K799-T816 PolarHBondContact N-OG1 2.84Å; K799-T816 PolarHBondContact O-N 2.99Å; K799-T816 PolarHBondContact O-OG1 3.47Å
800V73.7Confident57.1Low89 Ų8994.4 Ų94.454%0.53951%0.512SS..EExtended strand (participates in β ladder)trans-67131.4171.5-179.70000109.4L815V800-L815 HydrophobicContact CG2-CD2 3.76Å
801V76Confident59.6Low93 Ų9390.7 Ų90.756%0.56450%0.498SS*.EExtended strand (participates in β ladder)trans-95.6-45.4178.1176.70000110.9K799 Q814 T816K799-V801 PolarHBondContact O-N 3.48Å; V801-Q814 PolarHBondContact N-O 3.18Å; V801-T816 HydrophobicContact CG2-CG2 3.36Å
802K75.1Confident62.3Low59 Ų5985.1 Ų85.126%0.25747%0.472SS..EExtended strand (participates in β ladder)trans-150139.3-174.1-175.5173.4176.8179.20108.7S813 Q814 L875K802-S813 CarbonylContact O-C 3.43Å; K802-S813 WeakPolarHBondContact O-CA 3.24Å; K802-Q814 PolarHBondContact N-O 3.23Å; K802-Q814 PolarHBondContact O-N 2.55Å; K802-L875 HydrophobicContact CB-CD2 4.49Å; K802-L875 HydrophobicContact CD-CD2 4.13Å; K802-L875 HydrophobicContact CG-CD2 4.08Å; K802-L875 PolarHBondContact NZ-O 3.13Å
803S81.1Confident65.3Low52 Ų5277.4 Ų77.436%0.36443%0.431SS..EExtended strand (participates in β ladder)trans-133.5142.5171.8-165.80000109.7A812 S813S803-A812 CarbonylContact C-O 3.52Å; S803-A812 WeakPolarHBondContact CA-O 3.48Å; S803-A812 PolarHBondContact OG-O 2.98Å; S803-S813 WeakPolarHBondContact CB-OG 3.45Å; S803-S813 PolarHBondContact OG-OG 3.44Å
804I80.6Confident67.9Low33 Ų3376.6 Ų76.617%0.16942%0.418CS..EExtended strand (participates in β ladder)trans-137.4146.5178.761.3172000109.8V806 W811 A812 L874 L875I804-V806 HydrophobicContact CD1-CG2 3.96Å; I804-V806 HydrophobicContact CG1-CG2 4.21Å; I804-W811 VanDerWaalsContact C-CE3 3.44Å; I804-A812 HydrophobicContact CG1-CB 4.12Å; I804-A812 PolarHBondContact N-O 2.96Å; I804-A812 PolarHBondContact O-N 3.43Å; I804-L874 HydrophobicContact CD1-CB 3.48Å; I804-L874 VanDerWaalsContact CD1-CB 3.48Å; I804-L875 HydrophobicContact CD1-CD2 3.96Å; I804-L875 HydrophobicContact CD1-CG 3.86Å; I804-L875 HydrophobicContact CG1-CD2 3.91Å; I804-L875 HydrophobicContact CG1-CG 4.28Å; I804-L875 HydrophobicContact CG2-CD2 4.34Å
805F79.4Confident70.4Confident101 Ų10171.3 Ų71.344%0.44339%0.385SS..EExtended strand (participates in β ladder)trans-94.8131.7166.1-177.1-102.4000109.4W811F805-W811 HydrophobicContact CB-CD2 4.11Å; F805-W811 HydrophobicContact CB-CE3 4.14Å; F805-W811 HydrophobicContact CB-CH2 4.15Å; F805-W811 HydrophobicContact CB-CZ2 4.11Å; F805-W811 HydrophobicContact CB-CZ3 4.16Å; F805-W811 AromaticContact CD2-CD1 3.86Å; F805-W811 HydrophobicContact CD2-CD2 4.14Å; F805-W811 AromaticContact CD2-CE2 3.97Å; F805-W811 HydrophobicContact CD2-CG 4.09Å; F805-W811 AromaticContact CD2-NE1 3.77Å
806V79.9Confident72.3Confident11 Ų1170.3 Ų70.37%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-113.5113.6178.2-179.60000108.3I804 V809 G810 I871 L874I804-V806 HydrophobicContact CD1-CG2 3.96Å; I804-V806 HydrophobicContact CG1-CG2 4.21Å; V806-V809 HydrophobicContact CB-CB 4.17Å; V806-V809 HydrophobicContact CG1-CB 4.01Å; V806-V809 HydrophobicContact CG1-CG2 3.87Å; V806-V809 PolarHBondContact O-N 2.86Å; V806-G810 PolarHBondContact N-O 2.97Å; V806-G810 PolarHBondContact O-N 2.84Å; V806-I871 HydrophobicContact CG2-CG1 4.02Å; V806-L874 HydrophobicContact CG1-CD1 4.24Å; V806-L874 HydrophobicContact CG2-CD1 3.86Å
807P71.2Confident74.3Confident91 Ų9167.2 Ų67.259%0.59137%0.365SS*.THydrogen-bonded Turntrans-51.1141.6-178.4-29.536000113.1V809P807-V809 PolarHBondContact O-N 2.8Å
808N73.4Confident75.8Confident160 Ų16062 Ų6286%0.85634%0.339SS*.THydrogen-bonded Turntrans61.3-11.7-174.3-53.7-25000116.1N825N808-N825 VanDerWaalsContact C-ND2 3.25Å; N808-N825 PolarHBondContact O-ND2 2.89Å
809V80.8Confident77.5Confident24 Ų2462.4 Ų62.415%0.14534%0.335CS..THydrogen-bonded Turntrans-100.3-62.9178.3-172.80000111.3V806 P807 F824 N825 C867 I871V806-V809 HydrophobicContact CB-CB 4.17Å; V806-V809 HydrophobicContact CG1-CB 4.01Å; V806-V809 HydrophobicContact CG1-CG2 3.87Å; V806-V809 PolarHBondContact O-N 2.86Å; P807-V809 PolarHBondContact O-N 2.8Å; V809-F824 HydrophobicContact CG1-CD1 3.68Å; V809-F824 HydrophobicContact CG1-CE1 3.54Å; V809-F824 CarbonylContact O-C 3.58Å; V809-F824 VanDerWaalsContact O-CA 3.22Å; V809-F824 WeakPolarHBondContact O-CA 3.35Å; V809-N825 VanDerWaalsContact C-ND2 3.28Å; V809-N825 PolarHBondContact N-ND2 3.37Å; V809-N825 PolarHBondContact O-N 3.43Å; V809-N825 PolarHBondContact O-ND2 3.41Å; V809-C867 HydrophobicContact CG1-CB 3.98Å; V809-C867 HydrophobicContact CG2-CB 4.29Å; V809-I871 HydrophobicContact CG1-CD1 4.09Å
810G80.1Confident78.6Confident1 Ų154.6 Ų54.61%0.0130%0.302CS..EExtended strand (participates in β ladder)trans142.3-156.2-177.200000113.7V806 Q823 N825V806-G810 PolarHBondContact N-O 2.97Å; V806-G810 PolarHBondContact O-N 2.84Å; G810-Q823 CarbonylContact C-O 3.55Å; G810-Q823 WeakPolarHBondContact CA-O 3.43Å; G810-N825 WeakPolarHBondContact CA-OD1 3.08Å; G810-N825 PolarHBondContact N-ND2 3.3Å
811W81.6Confident79.3Confident131 Ų13153.9 Ų53.950%0.49629%0.29SS..EExtended strand (participates in β ladder)trans-88.8134.7178.3-81.3100.5000111.7I804 F805 V822 Q823I804-W811 VanDerWaalsContact C-CE3 3.44Å; F805-W811 HydrophobicContact CB-CD2 4.11Å; F805-W811 HydrophobicContact CB-CE3 4.14Å; F805-W811 HydrophobicContact CB-CH2 4.15Å; F805-W811 HydrophobicContact CB-CZ2 4.11Å; F805-W811 HydrophobicContact CB-CZ3 4.16Å; F805-W811 AromaticContact CD2-CD1 3.86Å; F805-W811 HydrophobicContact CD2-CD2 4.14Å; F805-W811 AromaticContact CD2-CE2 3.97Å; F805-W811 HydrophobicContact CD2-CG 4.09Å; F805-W811 AromaticContact CD2-NE1 3.77Å; W811-V822 CarbonylContact O-C 3.45Å; W811-V822 WeakPolarHBondContact O-CA 3.42Å; W811-Q823 PolarHBondContact N-O 3.39Å; W811-Q823 PolarHBondContact O-N 3.28Å
812A86.8Confident79.9Confident0 Ų049.5 Ų49.50%026%0.263CS..EExtended strand (participates in β ladder)trans-124.3123173.100000110.8S803 I804 W821 V822 I871S803-A812 CarbonylContact C-O 3.52Å; S803-A812 WeakPolarHBondContact CA-O 3.48Å; S803-A812 PolarHBondContact OG-O 2.98Å; I804-A812 HydrophobicContact CG1-CB 4.12Å; I804-A812 PolarHBondContact N-O 2.96Å; I804-A812 PolarHBondContact O-N 3.43Å; A812-W821 WeakPolarHBondContact CA-O 3.47Å; A812-V822 HydrophobicContact CB-CG2 4.24Å; A812-I871 HydrophobicContact CB-CB 4.43Å; A812-I871 HydrophobicContact CB-CD1 4.29Å; A812-I871 HydrophobicContact CB-CG1 4.2Å; A812-I871 HydrophobicContact CB-CG2 3.42Å; A812-I871 VanDerWaalsContact CB-CG2 3.42Å
813S85Confident80.6Confident10 Ų1050.2 Ų50.27%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-122.9128.5-176.1-58.30000111.2K802 S803 V820 W821K802-S813 CarbonylContact O-C 3.43Å; K802-S813 WeakPolarHBondContact O-CA 3.24Å; S803-S813 WeakPolarHBondContact CB-OG 3.45Å; S803-S813 PolarHBondContact OG-OG 3.44Å; S813-V820 WeakPolarHBondContact O-CA 3.11Å; S813-W821 PolarHBondContact N-O 3.1Å; S813-W821 PolarHBondContact O-N 2.78Å
814Q83.6Confident80.8Confident66 Ų6648.4 Ų48.431%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-97.4131.7173.4-171176.128.400110.3V801 K802 V820 L875V801-Q814 PolarHBondContact N-O 3.18Å; K802-Q814 PolarHBondContact N-O 3.23Å; K802-Q814 PolarHBondContact O-N 2.55Å; Q814-V820 HydrophobicContact CB-CG2 4.48Å; Q814-V820 HydrophobicContact CG-CG2 4.23Å; Q814-L875 HydrophobicContact CB-CD1 4.38Å; Q814-L875 HydrophobicContact CB-CD2 4.4Å
815L80.4Confident80.9Confident35 Ų3551.4 Ų51.418%0.18327%0.269CS..EExtended strand (participates in β ladder)trans-99.8157.1-178.8-66.4155.8000111.3G798 K799 V800 S817 G818 E819G798-L815 WeakPolarHBondContact O-CD2 3.22Å; K799-L815 CarbonylContact O-C 3.52Å; K799-L815 WeakPolarHBondContact O-CA 3.32Å; V800-L815 HydrophobicContact CG2-CD2 3.76Å; L815-S817 VanDerWaalsContact CB-OG 3.26Å; L815-S817 WeakPolarHBondContact CB-OG 3.3Å; L815-S817 PolarHBondContact O-N 3.37Å; L815-S817 VanDerWaalsContact O-N 3.1Å; L815-G818 PolarHBondContact O-N 2.98Å; L815-E819 HydrophobicContact CB-CB 4.25Å; L815-E819 HydrophobicContact CD1-CB 3.76Å; L815-E819 PolarHBondContact N-O 3.25Å
816T72.6Confident80.9Confident94 Ų9450.6 Ų50.658%0.57727%0.27SS*.THydrogen-bonded Turntrans-61.8-16.9175.947.70000113.4G798 K799 V801 G818G798-T816 WeakPolarHBondContact CA-OG1 3.44Å; K799-T816 HydrophobicContact CB-CG2 4.29Å; K799-T816 PolarHBondContact N-OG1 2.84Å; K799-T816 PolarHBondContact O-N 2.99Å; K799-T816 PolarHBondContact O-OG1 3.47Å; V801-T816 HydrophobicContact CG2-CG2 3.36Å; T816-G818 VanDerWaalsContact C-N 3.27Å
817S71.5Confident80.7Confident34 Ų3451.7 Ų51.724%0.23828%0.283CS..THydrogen-bonded Turntrans-77.3-3.4173.145.80000114.2L815 E819 Q833L815-S817 VanDerWaalsContact CB-OG 3.26Å; L815-S817 WeakPolarHBondContact CB-OG 3.3Å; L815-S817 PolarHBondContact O-N 3.37Å; L815-S817 VanDerWaalsContact O-N 3.1Å; S817-E819 WeakPolarHBondContact CB-OE2 3.4Å; S817-E819 PolarHBondContact O-N 2.81Å; S817-E819 PolarHBondContact OG-OE2 3.04Å; S817-Q833 PolarHBondContact O-NE2 2.6Å
818G70.9Confident81.5Confident29 Ų2947.4 Ų47.430%0.29926%0.255SS..SBendtrans76.86.2-173.200000114L815 T816 A834L815-G818 PolarHBondContact O-N 2.98Å; T816-G818 VanDerWaalsContact C-N 3.27Å; G818-A834 PolarHBondContact O-N 3.48Å
819E82.9Confident82.2Confident27 Ų2742.5 Ų42.513%0.12623%0.227CC..EExtended strand (participates in β ladder)trans-77.6139.2172.7-65.6165.5131.300110.2Q795 L815 S817 Q833Q795-E819 PolarHBondContact NE2-OE1 3.14Å; L815-E819 HydrophobicContact CB-CB 4.25Å; L815-E819 HydrophobicContact CD1-CB 3.76Å; L815-E819 PolarHBondContact N-O 3.25Å; S817-E819 WeakPolarHBondContact CB-OE2 3.4Å; S817-E819 PolarHBondContact O-N 2.81Å; S817-E819 PolarHBondContact OG-OE2 3.04Å; E819-Q833 HydrophobicContact CG-CB 3.86Å; E819-Q833 HydrophobicContact CG-CG 3.63Å
820V84.3Confident82.6Confident7 Ų741.4 Ų41.44%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-113.4118.3170.8178.10000107.8S813 Q814 V822 V832 L868 I871 L872 L875S813-V820 WeakPolarHBondContact O-CA 3.11Å; Q814-V820 HydrophobicContact CB-CG2 4.48Å; Q814-V820 HydrophobicContact CG-CG2 4.23Å; V820-V822 HydrophobicContact CG1-CG2 4.18Å; V820-V832 PolarHBondContact N-O 3.09Å; V820-V832 PolarHBondContact O-N 3.41Å; V820-L868 HydrophobicContact CG1-CD1 4.14Å; V820-I871 HydrophobicContact CG1-CG2 4.3Å; V820-L872 HydrophobicContact CG2-CD2 3.96Å; V820-L875 HydrophobicContact CG1-CD1 3.92Å; V820-L875 HydrophobicContact CG2-CD1 4.27Å
821W88.9Confident83Confident74 Ų7443.2 Ų43.228%0.2823%0.231SC..EExtended strand (participates in β ladder)trans-105.6123.4176.4177.258.8000109.2A812 S813 Q823 Q829 L830A812-W821 WeakPolarHBondContact CA-O 3.47Å; S813-W821 PolarHBondContact N-O 3.1Å; S813-W821 PolarHBondContact O-N 2.78Å; W821-Q823 HydrophobicContact CH2-CB 4.27Å; W821-Q823 HydrophobicContact CZ2-CB 4.14Å; W821-Q829 HydrophobicContact CZ2-CG 4.37Å; W821-L830 WeakPolarHBondContact CA-O 3.31Å
822V88.3Confident83.1Confident1 Ų138.3 Ų38.31%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-114.6118.4178.4-172.90000108.1W811 A812 V820 F824 Q829 L830 L868 I871W811-V822 CarbonylContact O-C 3.45Å; W811-V822 WeakPolarHBondContact O-CA 3.42Å; A812-V822 HydrophobicContact CB-CG2 4.24Å; V820-V822 HydrophobicContact CG1-CG2 4.18Å; V822-F824 HydrophobicContact CB-CE2 4.05Å; V822-F824 HydrophobicContact CB-CZ 4.26Å; V822-F824 HydrophobicContact CG1-CD2 4.2Å; V822-F824 HydrophobicContact CG1-CE1 4.11Å; V822-F824 HydrophobicContact CG1-CE2 3.73Å; V822-F824 HydrophobicContact CG1-CZ 3.66Å; V822-Q829 CarbonylContact O-C 3.56Å; V822-Q829 VanDerWaalsContact O-CA 3.24Å; V822-Q829 WeakPolarHBondContact O-CA 3.19Å; V822-L830 HydrophobicContact CB-CB 4.5Å; V822-L830 PolarHBondContact N-O 3.36Å; V822-L830 PolarHBondContact O-N 2.88Å; V822-L868 HydrophobicContact CG2-CD1 3.93Å; V822-I871 HydrophobicContact CB-CD1 4.42Å; V822-I871 HydrophobicContact CG1-CD1 3.67Å; V822-I871 HydrophobicContact CG2-CD1 3.82Å; V822-I871 HydrophobicContact CG2-CG2 4.43Å
823Q89.5Confident82.8Confident73 Ų7340.4 Ų40.434%0.34123%0.225SC..EExtended strand (participates in β ladder)trans-101.4117.8169-179.7177.63.900108.2G810 W811 W821 Q829G810-Q823 CarbonylContact C-O 3.55Å; G810-Q823 WeakPolarHBondContact CA-O 3.43Å; W811-Q823 PolarHBondContact N-O 3.39Å; W811-Q823 PolarHBondContact O-N 3.28Å; W821-Q823 HydrophobicContact CH2-CB 4.27Å; W821-Q823 HydrophobicContact CZ2-CB 4.14Å; Q823-Q829 HydrophobicContact CG-CG 4.34Å
824F85.8Confident81.9Confident15 Ų1544 Ų447%0.06626%0.256CS..EExtended strand (participates in β ladder)trans-82.9157.5-178.1-65.1-94.6000111.3V809 V822 D826 G827 S828 L830 K864V809-F824 HydrophobicContact CG1-CD1 3.68Å; V809-F824 HydrophobicContact CG1-CE1 3.54Å; V809-F824 CarbonylContact O-C 3.58Å; V809-F824 VanDerWaalsContact O-CA 3.22Å; V809-F824 WeakPolarHBondContact O-CA 3.35Å; V822-F824 HydrophobicContact CB-CE2 4.05Å; V822-F824 HydrophobicContact CB-CZ 4.26Å; V822-F824 HydrophobicContact CG1-CD2 4.2Å; V822-F824 HydrophobicContact CG1-CE1 4.11Å; V822-F824 HydrophobicContact CG1-CE2 3.73Å; V822-F824 HydrophobicContact CG1-CZ 3.66Å; F824-D826 VanDerWaalsContact CB-OD1 3.3Å; F824-D826 WeakPolarHBondContact CB-OD1 3.42Å; F824-D826 PolarHBondContact O-N 3.16Å; F824-D826 VanDerWaalsContact O-N 3.1Å; F824-G827 PolarHBondContact O-N 2.95Å; F824-S828 PolarHBondContact N-O 3.2Å; F824-L830 HydrophobicContact CE2-CB 3.76Å; F824-L830 HydrophobicContact CZ-CB 4.46Å; F824-L830 HydrophobicContact CZ-CD2 4.49Å; F824-K864 HydrophobicContact CD1-CD 4.31Å; F824-K864 HydrophobicContact CD1-CG 4.12Å; F824-K864 HydrophobicContact CD2-CD 4.19Å; F824-K864 HydrophobicContact CE1-CB 3.82Å; F824-K864 HydrophobicContact CE1-CD 4.28Å; F824-K864 HydrophobicContact CE1-CG 3.73Å; F824-K864 HydrophobicContact CE2-CB 4.11Å; F824-K864 HydrophobicContact CE2-CD 4.18Å; F824-K864 HydrophobicContact CE2-CG 4.32Å; F824-K864 HydrophobicContact CG-CD 4.28Å; F824-K864 HydrophobicContact CZ-CB 3.52Å; F824-K864 HydrophobicContact CZ-CD 4.24Å; F824-K864 HydrophobicContact CZ-CG 3.87Å
825N81Confident80.9Confident95 Ų9545.1 Ų45.151%0.50829%0.285SS..THydrogen-bonded Turntrans-62.1-16.4179.5-65.9-41.3000114N808 V809 G810 G827N808-N825 VanDerWaalsContact C-ND2 3.25Å; N808-N825 PolarHBondContact O-ND2 2.89Å; V809-N825 VanDerWaalsContact C-ND2 3.28Å; V809-N825 PolarHBondContact N-ND2 3.37Å; V809-N825 PolarHBondContact O-N 3.43Å; V809-N825 PolarHBondContact O-ND2 3.41Å; G810-N825 WeakPolarHBondContact CA-OD1 3.08Å; G810-N825 PolarHBondContact N-ND2 3.3Å; N825-G827 VanDerWaalsContact C-N 3.3Å
826D81.1Confident80.5Confident85 Ų8546.3 Ų46.346%0.45529%0.293SS..THydrogen-bonded Turntrans-86.14.5173.870.9-6.4000113.6F824 S828 A844 K864F824-D826 VanDerWaalsContact CB-OD1 3.3Å; F824-D826 WeakPolarHBondContact CB-OD1 3.42Å; F824-D826 PolarHBondContact O-N 3.16Å; F824-D826 VanDerWaalsContact O-N 3.1Å; D826-S828 VanDerWaalsContact C-N 3.29Å; D826-S828 PolarHBondContact O-N 3Å; D826-S828 VanDerWaalsContact OD1-CB 3.23Å; D826-S828 WeakPolarHBondContact OD1-CB 3.2Å; D826-S828 PolarHBondContact OD1-N 2.64Å; D826-S828 PolarHBondContact OD1-OG 3.23Å; D826-S828 PolarHBondContact OD2-OG 3.44Å; D826-A844 WeakPolarHBondContact O-CB 3.39Å; D826-K864 IonicContact OD1-NZ 3.43Å; D826-K864 IonicContact OD2-NZ 2.76Å; D826-K864 PolarHBondContact OD2-NZ 3.03Å
827G75.1Confident80.3Confident34 Ų3445.1 Ų45.135%0.35129%0.289SS..SBendtrans85.4-11.2-178.300000114.9F824 N825F824-G827 PolarHBondContact O-N 2.95Å; N825-G827 VanDerWaalsContact C-N 3.3Å
828S87.5Confident80.6Confident0 Ų044.5 Ų44.50%028%0.284CS..  trans-70.2162.9174.171.30000112.3F824 D826 T842 K864F824-S828 PolarHBondContact N-O 3.2Å; D826-S828 VanDerWaalsContact C-N 3.29Å; D826-S828 PolarHBondContact O-N 3Å; D826-S828 VanDerWaalsContact OD1-CB 3.23Å; D826-S828 WeakPolarHBondContact OD1-CB 3.2Å; D826-S828 PolarHBondContact OD1-N 2.64Å; D826-S828 PolarHBondContact OD1-OG 3.23Å; D826-S828 PolarHBondContact OD2-OG 3.44Å; S828-T842 CarbonylContact C-O 3.58Å; S828-T842 VanDerWaalsContact CA-O 3.25Å; S828-T842 WeakPolarHBondContact CA-O 3.18Å; S828-T842 VanDerWaalsContact CB-O 3.23Å; S828-T842 WeakPolarHBondContact CB-O 3.06Å; S828-K864 PolarHBondContact OG-NZ 3.5Å
829Q89.1Confident81.4Confident57 Ų5744.2 Ų44.227%0.26628%0.276SS..EExtended strand (participates in β ladder)trans-137.4153.5-176.7-50176.814.300111.9W821 V822 Q823 Y841 T842W821-Q829 HydrophobicContact CZ2-CG 4.37Å; V822-Q829 CarbonylContact O-C 3.56Å; V822-Q829 VanDerWaalsContact O-CA 3.24Å; V822-Q829 WeakPolarHBondContact O-CA 3.19Å; Q823-Q829 HydrophobicContact CG-CG 4.34Å; Q829-Y841 CarbonylContact O-C 3.55Å; Q829-Y841 WeakPolarHBondContact O-CA 3.37Å; Q829-Y841 WeakPolarHBondContact O-CD2 3.29Å; Q829-T842 PolarHBondContact N-O 3.13Å; Q829-T842 PolarHBondContact O-N 3.45Å
830L88.6Confident81.6Confident1 Ų144.6 Ų44.61%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-139.6121.8174.7-177.669.7000109.8W821 V822 F824 V832 I839 T840 Y841 L865W821-L830 WeakPolarHBondContact CA-O 3.31Å; V822-L830 HydrophobicContact CB-CB 4.5Å; V822-L830 PolarHBondContact N-O 3.36Å; V822-L830 PolarHBondContact O-N 2.88Å; F824-L830 HydrophobicContact CE2-CB 3.76Å; F824-L830 HydrophobicContact CZ-CB 4.46Å; F824-L830 HydrophobicContact CZ-CD2 4.49Å; L830-V832 HydrophobicContact CD1-CG2 4.39Å; L830-V832 HydrophobicContact CD2-CG2 4.2Å; L830-V832 HydrophobicContact CG-CG2 3.96Å; L830-I839 HydrophobicContact CD1-CB 4.32Å; L830-I839 HydrophobicContact CD1-CD1 4.33Å; L830-T840 CarbonylContact C-O 3.27Å; L830-T840 WeakPolarHBondContact CA-O 3.35Å; L830-Y841 HydrophobicContact CD1-CD2 4.45Å; L830-L865 HydrophobicContact CD2-CD2 3.86Å; L830-L865 HydrophobicContact CD2-CG 4.14Å
831V88.8Confident81.8Confident40 Ų4045 Ų4524%0.24228%0.281CS..EExtended strand (participates in β ladder)trans-103.9127.6170.3-171.90000108.6T840V831-T840 PolarHBondContact N-O 2.93Å; V831-T840 PolarHBondContact O-N 2.9Å
832V84.6Confident81.8Confident27 Ų2742.3 Ų42.316%0.16427%0.273CS..EExtended strand (participates in β ladder)trans-131.5131.2172.4-174.80000109.3V820 L830 I839 L865 L868V820-V832 PolarHBondContact N-O 3.09Å; V820-V832 PolarHBondContact O-N 3.41Å; L830-V832 HydrophobicContact CD1-CG2 4.39Å; L830-V832 HydrophobicContact CD2-CG2 4.2Å; L830-V832 HydrophobicContact CG-CG2 3.96Å; V832-I839 HydrophobicContact CB-CG2 4.48Å; V832-I839 HydrophobicContact CG1-CG2 4.2Å; V832-I839 HydrophobicContact CG2-CB 4.29Å; V832-I839 HydrophobicContact CG2-CG2 3.78Å; V832-L865 HydrophobicContact CG2-CD2 4.38Å; V832-L868 HydrophobicContact CB-CD2 3.98Å; V832-L868 HydrophobicContact CG1-CD2 4.04Å; V832-L868 HydrophobicContact CG2-CD2 3.72Å
833Q79.8Confident81.6Confident44 Ų4443.5 Ų43.521%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-106.8129.4176-167.1168.622.200110.7S817 E819 G835 V836S817-Q833 PolarHBondContact O-NE2 2.6Å; E819-Q833 HydrophobicContact CG-CB 3.86Å; E819-Q833 HydrophobicContact CG-CG 3.63Å; Q833-G835 PolarHBondContact O-N 3.32Å; Q833-V836 HydrophobicContact CB-CB 4.16Å; Q833-V836 HydrophobicContact CB-CG2 4.01Å; Q833-V836 HydrophobicContact CG-CG2 4Å; Q833-V836 PolarHBondContact O-N 3.4Å
834A66Low81Confident87 Ų8743.2 Ų43.272%0.71929%0.291SS*.THydrogen-bonded Turntrans-61.1123.217600000110.7G818G818-A834 PolarHBondContact O-N 3.48Å
835G62.5Low80.5Confident88 Ų8849.1 Ų49.191%0.90732%0.319SS*.THydrogen-bonded Turntrans84.610.3-179.200000115.8Q833Q833-G835 PolarHBondContact O-N 3.32Å
836V72.1Confident80.1Confident60 Ų6046.9 Ų46.936%0.36432%0.319SS..  trans-121.1120.5171.5-172.40000109.3Q833 C838Q833-V836 HydrophobicContact CB-CB 4.16Å; Q833-V836 HydrophobicContact CB-CG2 4.01Å; Q833-V836 HydrophobicContact CG-CG2 4Å; Q833-V836 PolarHBondContact O-N 3.4Å; V836-C838 PolarHBondContact O-N 2.94Å
837S69.1Low79.9Confident69 Ų6950.9 Ų50.948%0.48333%0.327SS..SBendtrans-82.645.9-178610000113.7E853S837-E853 WeakPolarHBondContact CB-OE2 3.35Å; S837-E853 PolarHBondContact O-N 3.32Å; S837-E853 PolarHBondContact OG-OE2 3.17Å
838C77.5Confident80.4Confident21 Ų2154 Ų5414%0.14234%0.339CS..EExtended strand (participates in β ladder)trans-140.2148.3165.4730000110.9V836 R850 Y851V836-C838 PolarHBondContact O-N 2.94Å; C838-R850 PolarHBondContact SG-NE 3.44Å; C838-R850 PolarHBondContact SG-NH2 2.91Å; C838-Y851 CarbonylContact C-O 3.53Å; C838-Y851 WeakPolarHBondContact CA-O 3.46Å; C838-Y851 VanDerWaalsContact CB-O 3.29Å; C838-Y851 WeakPolarHBondContact CB-O 3.39Å
839I86.4Confident80.3Confident23 Ų2356.8 Ų56.812%0.11836%0.357CS..EExtended strand (participates in β ladder)trans-120.9151176.364.1177.9000109.3L830 V832 R850 Y851 L857 V861 L865L830-I839 HydrophobicContact CD1-CB 4.32Å; L830-I839 HydrophobicContact CD1-CD1 4.33Å; V832-I839 HydrophobicContact CB-CG2 4.48Å; V832-I839 HydrophobicContact CG1-CG2 4.2Å; V832-I839 HydrophobicContact CG2-CB 4.29Å; V832-I839 HydrophobicContact CG2-CG2 3.78Å; I839-R850 CarbonylContact O-C 3.52Å; I839-R850 WeakPolarHBondContact O-CA 3.4Å; I839-Y851 HydrophobicContact CD1-CD2 4.27Å; I839-Y851 HydrophobicContact CG1-CD2 4.16Å; I839-Y851 PolarHBondContact N-O 2.8Å; I839-Y851 PolarHBondContact O-N 2.85Å; I839-L857 HydrophobicContact CD1-CD1 4.27Å; I839-L857 HydrophobicContact CD1-CD2 3.89Å; I839-V861 HydrophobicContact CD1-CG1 4.05Å; I839-L865 HydrophobicContact CD1-CD1 3.65Å; I839-L865 HydrophobicContact CD1-CD2 4.03Å; I839-L865 HydrophobicContact CD1-CG 4.25Å; I839-L865 HydrophobicContact CG2-CD2 4.31Å
840T87.9Confident80.1Confident36 Ų3661 Ų6122%0.22137%0.37CS..EExtended strand (participates in β ladder)trans-118.7115.9174.2-54.90000108.8L830 V831 V848L830-T840 CarbonylContact C-O 3.27Å; L830-T840 WeakPolarHBondContact CA-O 3.35Å; V831-T840 PolarHBondContact N-O 2.93Å; V831-T840 PolarHBondContact O-N 2.9Å; T840-V848 HydrophobicContact CG2-CG1 3.42Å; T840-V848 VanDerWaalsContact CG2-CG1 3.42Å
841Y89.3Confident79.9Confident16 Ų1662.5 Ų62.56%0.06338%0.376CS..EExtended strand (participates in β ladder)trans-106.2135.3176.4176.6-110.5000109.8Q829 L830 T849 H860 V861 K864Q829-Y841 CarbonylContact O-C 3.55Å; Q829-Y841 WeakPolarHBondContact O-CA 3.37Å; Q829-Y841 WeakPolarHBondContact O-CD2 3.29Å; L830-Y841 HydrophobicContact CD1-CD2 4.45Å; Y841-T849 PolarHBondContact N-O 3.38Å; Y841-T849 PolarHBondContact O-N 3.24Å; Y841-H860 AromaticContact CE1-CD2 3.97Å; Y841-H860 AromaticContact CE1-NE2 3.82Å; Y841-V861 HydrophobicContact CD1-CG2 3.98Å; Y841-V861 HydrophobicContact CE1-CG2 4.18Å; Y841-V861 HydrophobicContact CG-CG2 4.23Å; Y841-K864 HydrophobicContact CE2-CD 3.82Å; Y841-K864 PolarHBondContact OH-NZ 3.26Å
842T88.7Confident79.6Confident16 Ų1667 Ų6710%0.09839%0.392CS..EExtended strand (participates in β ladder)trans-114.4124.8172.7-49.10000108.2S828 Q829 R847 V848S828-T842 CarbonylContact C-O 3.58Å; S828-T842 VanDerWaalsContact CA-O 3.25Å; S828-T842 WeakPolarHBondContact CA-O 3.18Å; S828-T842 VanDerWaalsContact CB-O 3.23Å; S828-T842 WeakPolarHBondContact CB-O 3.06Å; Q829-T842 PolarHBondContact N-O 3.13Å; Q829-T842 PolarHBondContact O-N 3.45Å; T842-R847 CarbonylContact C-O 3.55Å; T842-R847 VanDerWaalsContact CA-O 3.32Å; T842-R847 WeakPolarHBondContact CA-O 3.32Å; T842-V848 HydrophobicContact CG2-CG2 3.92Å
843S84.1Confident78.7Confident26 Ų2672.6 Ų72.618%0.18242%0.416CS..  trans-68.3165.1174.272.50000111.7E845 G846 R847S843-E845 PolarHBondContact O-N 3.19Å; S843-E845 PolarHBondContact OG-N 3.37Å; S843-G846 PolarHBondContact O-N 2.89Å; S843-R847 PolarHBondContact N-O 3.05Å; S843-R847 WeakPolarHBondContact OG-CB 3.32Å; S843-R847 PolarHBondContact OG-N 3.37Å
844A76Confident78Confident67 Ų6778.1 Ų78.155%0.55445%0.447SS*.THydrogen-bonded Turntrans-59.1-25.217200000113D826 G846D826-A844 WeakPolarHBondContact O-CB 3.39Å; A844-G846 PolarHBondContact O-N 2.82Å
845E76.4Confident78.6Confident139 Ų13977.8 Ų77.865%0.6543%0.431SS*.THydrogen-bonded Turntrans-77.52.6172.2-58.5170.6-155.900113.5S843 R847S843-E845 PolarHBondContact O-N 3.19Å; S843-E845 PolarHBondContact OG-N 3.37Å; E845-R847 VanDerWaalsContact C-N 3.34Å; E845-R847 HydrophobicContact CB-CG 4.39Å; E845-R847 PolarHBondContact O-N 3.2Å; E845-R847 IonicContact OE2-CZ 3.45Å; E845-R847 VanDerWaalsContact OE2-CZ 3.29Å; E845-R847 IonicContact OE2-NE 2.68Å; E845-R847 PolarHBondContact OE2-NE 2.66Å; E845-R847 IonicContact OE2-NH2 2.67Å; E845-R847 PolarHBondContact OE2-NH2 2.9Å
846G71Confident79.1Confident49 Ų4983.6 Ų83.651%0.50543%0.431SS..  trans78.96.5-178.100000115.6S843 A844 V848S843-G846 PolarHBondContact O-N 2.89Å; A844-G846 PolarHBondContact O-N 2.82Å; G846-V848 PolarHBondContact O-N 2.9Å
847R78.3Confident79.6Confident169 Ų16982.9 Ų82.964%0.63843%0.425SS*.  trans-75.9120.3177.7-54.7-171-159.4-149.14.6110.5T842 S843 E845T842-R847 CarbonylContact C-O 3.55Å; T842-R847 VanDerWaalsContact CA-O 3.32Å; T842-R847 WeakPolarHBondContact CA-O 3.32Å; S843-R847 PolarHBondContact N-O 3.05Å; S843-R847 WeakPolarHBondContact OG-CB 3.32Å; S843-R847 PolarHBondContact OG-N 3.37Å; E845-R847 VanDerWaalsContact C-N 3.34Å; E845-R847 HydrophobicContact CB-CG 4.39Å; E845-R847 PolarHBondContact O-N 3.2Å; E845-R847 IonicContact OE2-CZ 3.45Å; E845-R847 VanDerWaalsContact OE2-CZ 3.29Å; E845-R847 IonicContact OE2-NE 2.68Å; E845-R847 PolarHBondContact OE2-NE 2.66Å; E845-R847 IonicContact OE2-NH2 2.67Å; E845-R847 PolarHBondContact OE2-NH2 2.9Å
848V85.6Confident80.3Confident98 Ų9881.7 Ų81.759%0.59442%0.416SS*.EExtended strand (participates in β ladder)trans-93.5120.8179.9-173.60000110.7T840 T842 G846T840-V848 HydrophobicContact CG2-CG1 3.42Å; T840-V848 VanDerWaalsContact CG2-CG1 3.42Å; T842-V848 HydrophobicContact CG2-CG2 3.92Å; G846-V848 PolarHBondContact O-N 2.9Å
849T84.9Confident80.3Confident60 Ų6086 Ų8637%0.36843%0.434SS..EExtended strand (participates in β ladder)trans-121.2123.1174-52.90000109.7Y841 Y851Y841-T849 PolarHBondContact N-O 3.38Å; Y841-T849 PolarHBondContact O-N 3.24Å; T849-Y851 HydrophobicContact CG2-CD1 4.23Å; T849-Y851 HydrophobicContact CG2-CD2 4.31Å; T849-Y851 HydrophobicContact CG2-CE1 3.69Å; T849-Y851 HydrophobicContact CG2-CE2 3.8Å; T849-Y851 VanDerWaalsContact CG2-CZ 3.45Å
850R85.6Confident80Confident145 Ų14589.1 Ų89.155%0.54745%0.447SS..EExtended strand (participates in β ladder)trans-101.1118175.5-175.1179.4-177175.43.4109.6C838 I839C838-R850 PolarHBondContact SG-NE 3.44Å; C838-R850 PolarHBondContact SG-NH2 2.91Å; I839-R850 CarbonylContact O-C 3.52Å; I839-R850 WeakPolarHBondContact O-CA 3.4Å
851Y83.6Confident79.8Confident33 Ų3387.4 Ų87.413%0.12944%0.437CS..EExtended strand (participates in β ladder)trans-101.7143.5178.8-57.2-82.8000111.2C838 I839 T849 E855 L857 P858 V861C838-Y851 CarbonylContact C-O 3.53Å; C838-Y851 WeakPolarHBondContact CA-O 3.46Å; C838-Y851 VanDerWaalsContact CB-O 3.29Å; C838-Y851 WeakPolarHBondContact CB-O 3.39Å; I839-Y851 HydrophobicContact CD1-CD2 4.27Å; I839-Y851 HydrophobicContact CG1-CD2 4.16Å; I839-Y851 PolarHBondContact N-O 2.8Å; I839-Y851 PolarHBondContact O-N 2.85Å; T849-Y851 HydrophobicContact CG2-CD1 4.23Å; T849-Y851 HydrophobicContact CG2-CD2 4.31Å; T849-Y851 HydrophobicContact CG2-CE1 3.69Å; T849-Y851 HydrophobicContact CG2-CE2 3.8Å; T849-Y851 VanDerWaalsContact CG2-CZ 3.45Å; Y851-E855 VanDerWaalsContact CA-OE2 3.26Å; Y851-E855 WeakPolarHBondContact CA-OE2 3.23Å; Y851-L857 VanDerWaalsContact CB-CD2 3.44Å; Y851-L857 HydrophobicContact CD1-CD2 3.85Å; Y851-L857 HydrophobicContact CD2-CD2 3.89Å; Y851-L857 HydrophobicContact CG-CD2 3.46Å; Y851-L857 VanDerWaalsContact CG-CD2 3.46Å; Y851-P858 HydrophobicContact CE1-CG 4.41Å; Y851-P858 WeakPolarHBondContact OH-CG 3.25Å; Y851-V861 HydrophobicContact CD2-CG1 4.45Å; Y851-V861 HydrophobicContact CE2-CG1 4.22Å; Y851-V861 HydrophobicContact CE2-CG2 4.03Å
852K81.9Confident79.5Confident135 Ų13590.8 Ų90.859%0.58745%0.452SS*.EExtended strand (participates in β ladder)trans-103.6162.8175.2-59.3174.4-172163.90111.8N854 E855K852-N854 PolarHBondContact O-N 2.91Å; K852-E855 HydrophobicContact CB-CG 4.3Å; K852-E855 PolarHBondContact N-OE2 3.13Å; K852-E855 PolarHBondContact O-N 2.88Å
853E66.8Low79.1Confident143 Ų14396.1 Ų96.167%0.66848%0.476SS*.THydrogen-bonded Turntrans-40.8-38.9-178.6-159.6159.3-159.300116.3S837S837-E853 WeakPolarHBondContact CB-OE2 3.35Å; S837-E853 PolarHBondContact O-N 3.32Å; S837-E853 PolarHBondContact OG-OE2 3.17Å
854N64.9Low79Confident160 Ų16096.2 Ų96.286%0.85647%0.473SS*.THydrogen-bonded Turntrans-103.37.1-174.3-63.9-35.4000114.4K852K852-N854 PolarHBondContact O-N 2.91Å
855E77.6Confident79.4Confident81 Ų8194.9 Ų94.938%0.37946%0.457SS..SBendtrans-91.7139.9-177.3-70.2167.3-178.300111.6Y851 K852 L857Y851-E855 VanDerWaalsContact CA-OE2 3.26Å; Y851-E855 WeakPolarHBondContact CA-OE2 3.23Å; K852-E855 HydrophobicContact CB-CG 4.3Å; K852-E855 PolarHBondContact N-OE2 3.13Å; K852-E855 PolarHBondContact O-N 2.88Å; E855-L857 PolarHBondContact O-N 3.21Å
856K73.8Confident79.6Confident209 Ų20995.9 Ų95.991%0.90946%0.461SS*.  trans-70.495.7180-75-174177.7179.50111.1
857L82.3Confident80.1Confident46 Ų4695.4 Ų95.424%0.24145%0.449CS..  trans-58.4132.4174-59.6-179.7000111.7I839 Y851 E855 K862 L865I839-L857 HydrophobicContact CD1-CD1 4.27Å; I839-L857 HydrophobicContact CD1-CD2 3.89Å; Y851-L857 VanDerWaalsContact CB-CD2 3.44Å; Y851-L857 HydrophobicContact CD1-CD2 3.85Å; Y851-L857 HydrophobicContact CD2-CD2 3.89Å; Y851-L857 HydrophobicContact CG-CD2 3.46Å; Y851-L857 VanDerWaalsContact CG-CD2 3.46Å; E855-L857 PolarHBondContact O-N 3.21Å; L857-K862 HydrophobicContact CB-CG 3.95Å; L857-K862 WeakPolarHBondContact O-CE 3.13Å; L857-L865 HydrophobicContact CD1-CD1 3.52Å
858P84.5Confident80.2Confident43 Ų4388.2 Ų88.228%0.27942%0.424SS..  trans-62.5149.5168.1-21.533.2000112Y851 H860 V861 K862Y851-P858 HydrophobicContact CE1-CG 4.41Å; Y851-P858 WeakPolarHBondContact OH-CG 3.25Å; P858-H860 VanDerWaalsContact C-N 3.32Å; P858-H860 PolarHBondContact O-N 3.14Å; P858-V861 HydrophobicContact CB-CG2 4.24Å; P858-V861 HydrophobicContact CG-CG2 4.25Å; P858-V861 WeakPolarHBondContact O-CA 3.35Å; P858-V861 WeakPolarHBondContact O-CB 3.32Å; P858-V861 PolarHBondContact O-N 3.39Å; P858-K862 PolarHBondContact O-N 3.28Å
859E77.8Confident79.8Confident113 Ų11388.1 Ų88.153%0.52843%0.427SS..Hα-helixtrans-57.3-42.2-174.1-133.761.2-14700113.1V861 K862 E863E859-V861 PolarHBondContact O-N 3.24Å; E859-V861 VanDerWaalsContact O-N 3.13Å; E859-K862 WeakPolarHBondContact O-CA 3.19Å; E859-K862 WeakPolarHBondContact O-CB 3.23Å; E859-K862 PolarHBondContact O-N 3.14Å; E859-K862 WeakPolarHBondContact OE1-CD 3.44Å; E859-K862 IonicContact OE1-NZ 3.29Å; E859-K862 PolarHBondContact OE1-NZ 3.41Å; E859-K862 WeakPolarHBondContact OE2-CE 3.32Å; E859-K862 IonicContact OE2-NZ 2.62Å; E859-K862 PolarHBondContact OE2-NZ 2.78Å; E859-E863 WeakPolarHBondContact O-CG 3.48Å; E859-E863 PolarHBondContact O-N 3.35Å
860H79.2Confident79.6Confident87 Ų8789.5 Ų89.540%0.40344%0.435SS..Hα-helixtrans-62-20.9176.667-105.9000114Y841 P858 K864Y841-H860 AromaticContact CE1-CD2 3.97Å; Y841-H860 AromaticContact CE1-NE2 3.82Å; P858-H860 VanDerWaalsContact C-N 3.32Å; P858-H860 PolarHBondContact O-N 3.14Å; H860-K864 WeakPolarHBondContact O-CD 3.22Å; H860-K864 WeakPolarHBondContact O-CG 3.31Å
861V83.8Confident79.4Confident0 Ų082.7 Ų82.70%041%0.41CS..Hα-helixtrans-83.7-37.9172.3-172.80000110.1I839 Y841 Y851 P858 E859 K864 L865I839-V861 HydrophobicContact CD1-CG1 4.05Å; Y841-V861 HydrophobicContact CD1-CG2 3.98Å; Y841-V861 HydrophobicContact CE1-CG2 4.18Å; Y841-V861 HydrophobicContact CG-CG2 4.23Å; Y851-V861 HydrophobicContact CD2-CG1 4.45Å; Y851-V861 HydrophobicContact CE2-CG1 4.22Å; Y851-V861 HydrophobicContact CE2-CG2 4.03Å; P858-V861 HydrophobicContact CB-CG2 4.24Å; P858-V861 HydrophobicContact CG-CG2 4.25Å; P858-V861 WeakPolarHBondContact O-CA 3.35Å; P858-V861 WeakPolarHBondContact O-CB 3.32Å; P858-V861 PolarHBondContact O-N 3.39Å; E859-V861 PolarHBondContact O-N 3.24Å; E859-V861 VanDerWaalsContact O-N 3.13Å; V861-K864 PolarHBondContact O-N 2.91Å; V861-L865 HydrophobicContact CG1-CD1 4.1Å; V861-L865 WeakPolarHBondContact O-CB 3.44Å; V861-L865 WeakPolarHBondContact O-CD1 3.49Å; V861-L865 VanDerWaalsContact O-CG 3.32Å; V861-L865 WeakPolarHBondContact O-CG 3.26Å; V861-L865 PolarHBondContact O-N 2.87Å
862K81.8Confident79.3Confident88 Ų8884.9 Ų84.938%0.38342%0.424SS..Hα-helixtrans-63.9-43.1175.3-57.5-176-156.4158.50112.4L857 P858 E859 K864 L865 H866L857-K862 HydrophobicContact CB-CG 3.95Å; L857-K862 WeakPolarHBondContact O-CE 3.13Å; P858-K862 PolarHBondContact O-N 3.28Å; E859-K862 WeakPolarHBondContact O-CA 3.19Å; E859-K862 WeakPolarHBondContact O-CB 3.23Å; E859-K862 PolarHBondContact O-N 3.14Å; E859-K862 WeakPolarHBondContact OE1-CD 3.44Å; E859-K862 IonicContact OE1-NZ 3.29Å; E859-K862 PolarHBondContact OE1-NZ 3.41Å; E859-K862 WeakPolarHBondContact OE2-CE 3.32Å; E859-K862 IonicContact OE2-NZ 2.62Å; E859-K862 PolarHBondContact OE2-NZ 2.78Å; K862-K864 VanDerWaalsContact C-N 3.31Å; K862-K864 PolarHBondContact O-N 3.06Å; K862-L865 WeakPolarHBondContact O-CB 3.33Å; K862-L865 PolarHBondContact O-N 3.26Å; K862-H866 PolarHBondContact O-N 2.86Å
863E80.6Confident79Confident127 Ų12780.4 Ų80.459%0.59342%0.415SS*.Hα-helixtrans-56.6-47.3175.2-70.8170.1168.400110.8E859 H866 C867E859-E863 WeakPolarHBondContact O-CG 3.48Å; E859-E863 PolarHBondContact O-N 3.35Å; E863-H866 VanDerWaalsContact O-CB 3.31Å; E863-H866 WeakPolarHBondContact O-CB 3.47Å; E863-H866 PolarHBondContact O-N 2.89Å; E863-H866 VanDerWaalsContact O-N 3.13Å; E863-C867 PolarHBondContact O-N 3.2Å
864K83.2Confident79.5Confident28 Ų2877.1 Ų77.112%0.12240%0.402CS..Hα-helixtrans-68.2-33178.1-72.7179.4-176.6-178.70113.4F824 D826 S828 Y841 H860 V861 K862F824-K864 HydrophobicContact CD1-CD 4.31Å; F824-K864 HydrophobicContact CD1-CG 4.12Å; F824-K864 HydrophobicContact CD2-CD 4.19Å; F824-K864 HydrophobicContact CE1-CB 3.82Å; F824-K864 HydrophobicContact CE1-CD 4.28Å; F824-K864 HydrophobicContact CE1-CG 3.73Å; F824-K864 HydrophobicContact CE2-CB 4.11Å; F824-K864 HydrophobicContact CE2-CD 4.18Å; F824-K864 HydrophobicContact CE2-CG 4.32Å; F824-K864 HydrophobicContact CG-CD 4.28Å; F824-K864 HydrophobicContact CZ-CB 3.52Å; F824-K864 HydrophobicContact CZ-CD 4.24Å; F824-K864 HydrophobicContact CZ-CG 3.87Å; D826-K864 IonicContact OD1-NZ 3.43Å; D826-K864 IonicContact OD2-NZ 2.76Å; D826-K864 PolarHBondContact OD2-NZ 3.03Å; S828-K864 PolarHBondContact OG-NZ 3.5Å; Y841-K864 HydrophobicContact CE2-CD 3.82Å; Y841-K864 PolarHBondContact OH-NZ 3.26Å; H860-K864 WeakPolarHBondContact O-CD 3.22Å; H860-K864 WeakPolarHBondContact O-CG 3.31Å; V861-K864 PolarHBondContact O-N 2.91Å; K862-K864 VanDerWaalsContact C-N 3.31Å; K862-K864 PolarHBondContact O-N 3.06Å
865L83.9Confident80Confident40 Ų4070 Ų7021%0.20936%0.364CS..Hα-helixtrans-67.7-32.4169.4-77.1159.4000112.6L830 V832 I839 L857 V861 K862 C867 L868L830-L865 HydrophobicContact CD2-CD2 3.86Å; L830-L865 HydrophobicContact CD2-CG 4.14Å; V832-L865 HydrophobicContact CG2-CD2 4.38Å; I839-L865 HydrophobicContact CD1-CD1 3.65Å; I839-L865 HydrophobicContact CD1-CD2 4.03Å; I839-L865 HydrophobicContact CD1-CG 4.25Å; I839-L865 HydrophobicContact CG2-CD2 4.31Å; L857-L865 HydrophobicContact CD1-CD1 3.52Å; V861-L865 HydrophobicContact CG1-CD1 4.1Å; V861-L865 WeakPolarHBondContact O-CB 3.44Å; V861-L865 WeakPolarHBondContact O-CD1 3.49Å; V861-L865 VanDerWaalsContact O-CG 3.32Å; V861-L865 WeakPolarHBondContact O-CG 3.26Å; V861-L865 PolarHBondContact O-N 2.87Å; K862-L865 WeakPolarHBondContact O-CB 3.33Å; K862-L865 PolarHBondContact O-N 3.26Å; L865-C867 VanDerWaalsContact C-N 3.26Å; L865-C867 PolarHBondContact O-N 2.63Å; L865-L868 WeakPolarHBondContact O-CB 3.48Å; L865-L868 PolarHBondContact O-N 3.03Å
866H81.6Confident79.9Confident159 Ų15969.5 Ų69.574%0.73637%0.373SS*.Hα-helixtrans-62.8-36.6178.7-158.869.6000111.4K862 E863 L868K862-H866 PolarHBondContact O-N 2.86Å; E863-H866 VanDerWaalsContact O-CB 3.31Å; E863-H866 WeakPolarHBondContact O-CB 3.47Å; E863-H866 PolarHBondContact O-N 2.89Å; E863-H866 VanDerWaalsContact O-N 3.13Å; H866-L868 PolarHBondContact O-N 2.7Å
867C81.3Confident79.5Confident39 Ų3965.8 Ų65.826%0.26436%0.363SS..Hα-helixtrans-60.9-25171.8-57.60000113.9V809 E863 L865 S869 T870 I871V809-C867 HydrophobicContact CG1-CB 3.98Å; V809-C867 HydrophobicContact CG2-CB 4.29Å; E863-C867 PolarHBondContact O-N 3.2Å; L865-C867 VanDerWaalsContact C-N 3.26Å; L865-C867 PolarHBondContact O-N 2.63Å; C867-S869 VanDerWaalsContact C-N 3.29Å; C867-S869 PolarHBondContact O-N 2.84Å; C867-T870 PolarHBondContact O-N 2.65Å; C867-I871 HydrophobicContact CB-CD1 4.38Å; C867-I871 WeakPolarHBondContact O-CG1 3.47Å; C867-I871 PolarHBondContact O-N 2.79Å
868L80.3Confident77.9Confident19 Ų1968.2 Ų68.210%0.09938%0.382CS..Hα-helixtrans-63.8-33.7-175.7-169.268.5000112.3V820 V822 V832 L865 H866 I871 L872V820-L868 HydrophobicContact CG1-CD1 4.14Å; V822-L868 HydrophobicContact CG2-CD1 3.93Å; V832-L868 HydrophobicContact CB-CD2 3.98Å; V832-L868 HydrophobicContact CG1-CD2 4.04Å; V832-L868 HydrophobicContact CG2-CD2 3.72Å; L865-L868 WeakPolarHBondContact O-CB 3.48Å; L865-L868 PolarHBondContact O-N 3.03Å; H866-L868 PolarHBondContact O-N 2.7Å; L868-I871 HydrophobicContact CD1-CG2 4.42Å; L868-I871 PolarHBondContact O-N 3.4Å; L868-L872 HydrophobicContact CD2-CD1 4.47Å; L868-L872 HydrophobicContact CG-CD1 4.03Å; L868-L872 HydrophobicContact CG-CG 4.28Å; L868-L872 VanDerWaalsContact O-CG 3.26Å; L868-L872 WeakPolarHBondContact O-CG 3.49Å; L868-L872 PolarHBondContact O-N 2.81Å; L868-L872 WeakPolarHBondContact O-CB 3.41Å
869S77.1Confident76Confident95 Ų9570 Ų7066%0.66440%0.401SS*.Hα-helixtrans-59.6-48.2176.4-172.90000111.3C867 L872 G873C867-S869 VanDerWaalsContact C-N 3.29Å; C867-S869 PolarHBondContact O-N 2.84Å; S869-L872 PolarHBondContact O-N 2.99Å; S869-G873 PolarHBondContact O-N 2.89Å; S869-G873 VanDerWaalsContact O-N 3.07Å
870T79.6Confident74.2Confident89 Ų8970 Ų7055%0.54641%0.41SS..Hα-helixtrans-63.7-42.8175.8-490000111.8C867 L872 G873 L874C867-T870 PolarHBondContact O-N 2.65Å; T870-L872 PolarHBondContact O-N 2.99Å; T870-G873 PolarHBondContact O-N 2.98Å; T870-L874 HydrophobicContact CG2-CD1 4.3Å; T870-L874 WeakPolarHBondContact O-CG 3.38Å; T870-L874 PolarHBondContact O-N 3.19Å
871I81.8Confident72.3Confident2 Ų277.5 Ų77.51%0.0144%0.435CS..Hα-helixtrans-58.5-47.4175.9-76.1162.8000111.3V806 V809 A812 V820 V822 C867 L868 G873 L874 L875V806-I871 HydrophobicContact CG2-CG1 4.02Å; V809-I871 HydrophobicContact CG1-CD1 4.09Å; A812-I871 HydrophobicContact CB-CB 4.43Å; A812-I871 HydrophobicContact CB-CD1 4.29Å; A812-I871 HydrophobicContact CB-CG1 4.2Å; A812-I871 HydrophobicContact CB-CG2 3.42Å; A812-I871 VanDerWaalsContact CB-CG2 3.42Å; V820-I871 HydrophobicContact CG1-CG2 4.3Å; V822-I871 HydrophobicContact CB-CD1 4.42Å; V822-I871 HydrophobicContact CG1-CD1 3.67Å; V822-I871 HydrophobicContact CG2-CD1 3.82Å; V822-I871 HydrophobicContact CG2-CG2 4.43Å; C867-I871 HydrophobicContact CB-CD1 4.38Å; C867-I871 WeakPolarHBondContact O-CG1 3.47Å; C867-I871 PolarHBondContact O-N 2.79Å; L868-I871 HydrophobicContact CD1-CG2 4.42Å; L868-I871 PolarHBondContact O-N 3.4Å; I871-G873 VanDerWaalsContact C-N 3.33Å; I871-G873 PolarHBondContact O-N 2.86Å; I871-L874 PolarHBondContact O-N 2.96Å; I871-L875 HydrophobicContact CG2-CD1 3.78Å; I871-L875 HydrophobicContact CG2-CG 4.38Å; I871-L875 WeakPolarHBondContact O-CB 3.41Å; I871-L875 WeakPolarHBondContact O-CG 3.45Å; I871-L875 PolarHBondContact O-N 2.91Å
872L81.1Confident69.8Low80 Ų8089.4 Ų89.442%0.41949%0.49SS..Hα-helixtrans-63.8-38.4179.1-71.6169.3000111.6V820 L868 S869 T870 L875 A876V820-L872 HydrophobicContact CG2-CD2 3.96Å; L868-L872 HydrophobicContact CD2-CD1 4.47Å; L868-L872 HydrophobicContact CG-CD1 4.03Å; L868-L872 HydrophobicContact CG-CG 4.28Å; L868-L872 VanDerWaalsContact O-CG 3.26Å; L868-L872 WeakPolarHBondContact O-CG 3.49Å; L868-L872 PolarHBondContact O-N 2.81Å; L868-L872 WeakPolarHBondContact O-CB 3.41Å; S869-L872 PolarHBondContact O-N 2.99Å; T870-L872 PolarHBondContact O-N 2.99Å; L872-L875 PolarHBondContact O-N 2.82Å; L872-A876 WeakPolarHBondContact O-CB 3.12Å; L872-A876 PolarHBondContact O-N 3.26Å
873G75.9Confident69.2Low40 Ų4089.5 Ų89.541%0.41250%0.496SS..Hα-helixtrans-59.9-45.1172.700000113.3S869 T870 I871 A876 N877S869-G873 PolarHBondContact O-N 2.89Å; S869-G873 VanDerWaalsContact O-N 3.07Å; T870-G873 PolarHBondContact O-N 2.98Å; I871-G873 VanDerWaalsContact C-N 3.33Å; I871-G873 PolarHBondContact O-N 2.86Å; G873-A876 PolarHBondContact O-N 3.2Å; G873-N877 PolarHBondContact O-N 2.93Å
874L77.7Confident68.6Low75 Ų7587.5 Ų87.539%0.39349%0.49SS..Hα-helixtrans-71.5-32.2177.4-65.7169.8000112.8I804 V806 T870 I871I804-L874 HydrophobicContact CD1-CB 3.48Å; I804-L874 VanDerWaalsContact CD1-CB 3.48Å; V806-L874 HydrophobicContact CG1-CD1 4.24Å; V806-L874 HydrophobicContact CG2-CD1 3.86Å; T870-L874 HydrophobicContact CG2-CD1 4.3Å; T870-L874 WeakPolarHBondContact O-CG 3.38Å; T870-L874 PolarHBondContact O-N 3.19Å; I871-L874 PolarHBondContact O-N 2.96Å
875L75.9Confident67.8Low10 Ų1090.8 Ų90.85%0.05251%0.511CS..Hα-helixtrans-69.1-33.9171.6-75.9171.8000111.8K802 I804 Q814 V820 I871 L872K802-L875 HydrophobicContact CB-CD2 4.49Å; K802-L875 HydrophobicContact CD-CD2 4.13Å; K802-L875 HydrophobicContact CG-CD2 4.08Å; K802-L875 PolarHBondContact NZ-O 3.13Å; I804-L875 HydrophobicContact CD1-CD2 3.96Å; I804-L875 HydrophobicContact CD1-CG 3.86Å; I804-L875 HydrophobicContact CG1-CD2 3.91Å; I804-L875 HydrophobicContact CG1-CG 4.28Å; I804-L875 HydrophobicContact CG2-CD2 4.34Å; Q814-L875 HydrophobicContact CB-CD1 4.38Å; Q814-L875 HydrophobicContact CB-CD2 4.4Å; V820-L875 HydrophobicContact CG1-CD1 3.92Å; V820-L875 HydrophobicContact CG2-CD1 4.27Å; I871-L875 HydrophobicContact CG2-CD1 3.78Å; I871-L875 HydrophobicContact CG2-CG 4.38Å; I871-L875 WeakPolarHBondContact O-CB 3.41Å; I871-L875 WeakPolarHBondContact O-CG 3.45Å; I871-L875 PolarHBondContact O-N 2.91Å; L872-L875 PolarHBondContact O-N 2.82Å
876A74.7Confident66.8Low70 Ų7093.8 Ų93.858%0.57953%0.529SS*.Hα-helixtrans-73.2-58.3174.100000112.2L872 G873 P878L872-A876 WeakPolarHBondContact O-CB 3.12Å; L872-A876 PolarHBondContact O-N 3.26Å; G873-A876 PolarHBondContact O-N 3.2Å; A876-P878 VanDerWaalsContact O-CD 3.31Å; A876-P878 WeakPolarHBondContact O-CD 3.39Å
877N65.2Low65.9Low131 Ų13189.8 Ų89.870%0.70152%0.516SS*.  trans-112.196.9-172.7-75.9-25.6000111.8G873 A879G873-N877 PolarHBondContact O-N 2.93Å; N877-A879 PolarHBondContact O-N 2.82Å
878P49.4Very low64.9Low98 Ų9893.1 Ų93.164%0.63653%0.532SS*.PPolyproline II helixtrans-70.8116.4167.930.1-31.1000109.6A876A876-P878 VanDerWaalsContact O-CD 3.31Å; A876-P878 WeakPolarHBondContact O-CD 3.39Å
879A44.7Very low63.8Low80 Ų8098.4 Ų98.466%0.66156%0.563SS**PPolyproline II helixtrans-57.5150.5169.400000111N877 R881N877-A879 PolarHBondContact O-N 2.82Å; A879-R881 PolarHBondContact O-N 2.67Å
880P39.3Very low62.8Low112 Ų11298.7 Ų98.773%0.72756%0.556SS**PPolyproline II helixtrans-58.5134.9177.225-34.1000110.6
881R39.6Very low61.4Low245 Ų24599.5 Ų99.593%0.92556%0.556SS**PPolyproline II helixtrans-69.6137.9-177-63.5177178173.7-2.7110.8A879A879-R881 PolarHBondContact O-N 2.67Å
882H31.3Very low59.5Low251 Ų251108.4 Ų108.4100%1.16261%0.606SS**  trans-119.40169.1-77.7-47.5000110.1

Retrieved 882 of 882 residues in 574.4 ms (Link to these results)

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