A0A087YES7_POEFO Loading...

Endoplasmic reticulum-Golgi intermediate compartment protein

Plays a role in transport between endoplasmic reticulum and Golgi.

AlphaFold DB , UniProt , Accession A0A087YES7, Species POEFO (Poecilia formosa, Amazon molly), Gene ERGIC2, Length 391 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
1M40.9Very low62.1Low247 Ų247156.6 Ų156.6100%1.21771%0.71SS**  01060-76.4177.7-103.600109.4
2R49.1Very low63.1Low246 Ų246151.4 Ų151.493%0.92869%0.691SS**  trans-83.5120.5-177.7-87176.1166.5170.4-4.2109.6L4R2-L4 PolarHBondContact O-N 2.91Å
3R53.6Low63.9Low249 Ų249147.5 Ų147.594%0.9469%0.685SS**  trans-60.698.6166.7-81.3179.4172.1-179.7-2.6108.7S5R3-S5 PolarHBondContact O-N 3.48Å
4L57.2Low64.1Low130 Ų130147.9 Ų147.968%0.68168%0.684SS**  trans-60.7120166.8-91.2149.8000107.9R2 R6 K8R2-L4 PolarHBondContact O-N 2.91Å; L4-R6 PolarHBondContact O-N 3.11Å; L4-K8 HydrophobicContact CD2-CB 4.46Å
5S67.7Low64.7Low61 Ų61148.5 Ų148.543%0.42769%0.687SS.*  trans-64.7134.8177.175.90000108.8R3 R7 K8 A9R3-S5 PolarHBondContact O-N 3.48Å; S5-R7 PolarHBondContact O-N 3.06Å; S5-K8 PolarHBondContact O-N 3.49Å; S5-A9 PolarHBondContact O-N 3.11Å
6R62.8Low65.4Low219 Ų219148 Ų14883%0.82669%0.69SS**Hα-helixtrans-44.7-34.2179.5-122.8178.7-179.8-172.6-0.4113.1L4 L10L4-R6 PolarHBondContact O-N 3.11Å; R6-L10 WeakPolarHBondContact O-CB 3.47Å; R6-L10 WeakPolarHBondContact O-CD1 3.45Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 3.21Å
7R67.3Low65.2Low215 Ų215143.8 Ų143.881%0.81167%0.674SS**Hα-helixtrans-68.4-38.5178.8-66.8-174.8-179.9179.4-0.4113.7S5 L10 S11S5-R7 PolarHBondContact O-N 3.06Å; R7-L10 PolarHBondContact O-N 3.19Å; R7-S11 PolarHBondContact O-N 3.26Å
8K70.5Confident65.6Low138 Ų138140.8 Ų140.860%0.668%0.678SS**Hα-helixtrans-72.8-33176.7-77.5-173.4174.8-1730112.5L4 S5 S11 L12L4-K8 HydrophobicContact CD2-CB 4.46Å; S5-K8 PolarHBondContact O-N 3.49Å; K8-S11 PolarHBondContact O-OG 2.85Å; K8-L12 PolarHBondContact O-N 3.3Å; K8-L12 VanDerWaalsContact O-N 3.17Å
9A70.9Confident65.4Low45 Ų45142.1 Ų142.137%0.37268%0.68SS.*Hα-helixtrans-67.7-41.8172.200000111.2S5 S11 L12 V13S5-A9 PolarHBondContact O-N 3.11Å; A9-S11 PolarHBondContact O-N 2.94Å; A9-L12 PolarHBondContact O-N 3.34Å; A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.45Å; A9-V13 PolarHBondContact O-N 3.43Å
10L69.4Low65.6Low117 Ų117141 Ų14161%0.61369%0.685SS**Hα-helixtrans-63.8-37176.1-80.5162.4000113.1R6 R7 K14R6-L10 WeakPolarHBondContact O-CB 3.47Å; R6-L10 WeakPolarHBondContact O-CD1 3.45Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 3.21Å; R7-L10 PolarHBondContact O-N 3.19Å; L10-K14 VanDerWaalsContact O-CB 3.29Å; L10-K14 WeakPolarHBondContact O-CB 3.47Å; L10-K14 PolarHBondContact O-N 2.92Å
11S73.5Confident65.6Low56 Ų56142.1 Ų142.139%0.39269%0.687SS.*Hα-helixtrans-69.2-41.1175.765.10000112.1R7 K8 A9 K14 E15R7-S11 PolarHBondContact O-N 3.26Å; K8-S11 PolarHBondContact O-OG 2.85Å; A9-S11 PolarHBondContact O-N 2.94Å; S11-K14 PolarHBondContact O-N 3.1Å; S11-E15 PolarHBondContact O-N 3.22Å
12L74.3Confident67Low94 Ų94135.2 Ų135.249%0.49266%0.658SS.*Hα-helixtrans-63.3-41.2175.6-97.8164.8000112.8K8 A9 K14 E15 L16K8-L12 PolarHBondContact O-N 3.3Å; K8-L12 VanDerWaalsContact O-N 3.17Å; A9-L12 PolarHBondContact O-N 3.34Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.49Å; L12-E15 PolarHBondContact O-N 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 2.86Å; L12-L16 VanDerWaalsContact O-N 3.13Å
13V73.3Confident68.2Low101 Ų101126.2 Ų126.261%0.61264%0.636SS**Hα-helixtrans-66.2-34175.2173.50000111A9 L16 D17A9-V13 VanDerWaalsContact O-CG2 3.26Å; A9-V13 WeakPolarHBondContact O-CG2 3.45Å; A9-V13 PolarHBondContact O-N 3.43Å; V13-L16 PolarHBondContact O-N 3.14Å; V13-D17 PolarHBondContact O-N 2.84Å
14K67.4Low68.5Low152 Ų152121.5 Ų121.566%0.66163%0.629SS**Hα-helixtrans-74.3-27.3177.4-162.8177.4-177.9-174.20113L10 S11 L12L10-K14 VanDerWaalsContact O-CB 3.29Å; L10-K14 WeakPolarHBondContact O-CB 3.47Å; L10-K14 PolarHBondContact O-N 2.92Å; S11-K14 PolarHBondContact O-N 3.1Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 3.49Å
15E72.1Confident68.8Low157 Ų157120.1 Ų120.173%0.73463%0.631SS**Hα-helixtrans-80.2-22.8173.6-78.8176.7163.900113.2S11 L12 D17S11-E15 PolarHBondContact O-N 3.22Å; L12-E15 PolarHBondContact O-N 3.36Å; E15-D17 VanDerWaalsContact C-N 3.33Å
16L75.9Confident68.1Low141 Ų141126.1 Ų126.174%0.73865%0.645SS**SBendtrans-85.6-3.9174-74.6164.2000113.5L12 V13 A18L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 2.86Å; L12-L16 VanDerWaalsContact O-N 3.13Å; V13-L16 PolarHBondContact O-N 3.14Å; L16-A18 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact O-N 3.12Å
17D63.2Low67.7Low77 Ų77119.2 Ų119.241%0.41263%0.627SS.*  trans-79.690.4178.4-163.71.7000109.5V13 E15 F19V13-D17 PolarHBondContact O-N 2.84Å; E15-D17 VanDerWaalsContact C-N 3.33Å; D17-F19 PolarHBondContact O-N 2.94Å
18A71.4Confident67.3Low90 Ų90116.7 Ų116.774%0.74463%0.625SS**  trans-74.83.3-174.600000114.5L16L16-A18 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact O-N 3.12Å
19F62.3Low66.7Low164 Ų164116.3 Ų116.372%0.71963%0.634SS**SBendtrans-114.1131.7-174.8-65.5-78.1000111.7D17 K21D17-F19 PolarHBondContact O-N 2.94Å; F19-K21 PolarHBondContact O-N 3.49Å
20P69.9Low66.6Low121 Ų121117.1 Ų117.179%0.78664%0.637SS**PPolyproline II helixtrans-63125.2175.825.2-31.7000109.7V22P20-V22 PolarHBondContact O-N 3.31Å
21K65.9Low66.4Low165 Ų165116 Ų11672%0.71765%0.645SS**PPolyproline II helixtrans-65.7123.6176.4-77.1-173.3176.5-172.30109.9F19F19-K21 PolarHBondContact O-N 3.49Å
22V70.4Confident66.4Low102 Ų102116.8 Ų116.862%0.61865%0.65SS**PPolyproline II helixtrans-62.7140.8174.2-135.30000109P20P20-V22 PolarHBondContact O-N 3.31Å
23A72.9Confident66.4Low56 Ų56113.1 Ų113.146%0.46364%0.635SS.*PPolyproline II helixtrans-60140.7178.700000110.7S25 Y26A23-S25 PolarHBondContact O-N 3.04Å; A23-Y26 HydrophobicContact CB-CD2 4.15Å; A23-Y26 PolarHBondContact O-N 3.06Å
24D61.3Low66.8Low150 Ų150110.1 Ų110.180%0.80262%0.624SS**G310 helixtrans-57.1-20.3-172.7-65-41.2000113.4Y26 V27D24-Y26 VanDerWaalsContact C-N 3.26Å; D24-Y26 PolarHBondContact O-N 3.19Å; D24-V27 PolarHBondContact O-N 3.23Å
25S62.5Low67.5Low101 Ų101106.8 Ų106.871%0.70662%0.617SS**G310 helixtrans-67.8-19.1174.459.50000114.6A23A23-S25 PolarHBondContact O-N 3.04Å
26Y53.8Low68Low188 Ų188101.9 Ų101.974%0.73760%0.598SS**G310 helixtrans-102.25.7178.7-63.2-81.3000112.8A23 D24A23-Y26 HydrophobicContact CB-CD2 4.15Å; A23-Y26 PolarHBondContact O-N 3.06Å; D24-Y26 VanDerWaalsContact C-N 3.26Å; D24-Y26 PolarHBondContact O-N 3.19Å
27V54.2Low68.5Low73 Ų7397.9 Ų97.944%0.44258%0.581SS.*  trans-109.892.4-176.7-1740000109.4D24 T29D24-V27 PolarHBondContact O-N 3.23Å; V27-T29 HydrophobicContact CG1-CG2 4.02Å; V27-T29 PolarHBondContact O-N 3.16Å
28E58.3Low69.7Low162 Ų162100 Ų10076%0.75759%0.591SS**  trans-74.8107.9169-73.6-154.817600109.6R354E28-R354 IonicContact OE1-NH2 3.16Å; E28-R354 PolarHBondContact OE1-NH2 3.3Å; E28-R354 VanDerWaalsContact OE1-NH2 3.16Å; E28-R354 IonicContact OE2-NH2 3.04Å; E28-R354 PolarHBondContact OE2-NH2 3.17Å
29T57.8Low70.6Confident131 Ų131100.6 Ų100.680%0.80458%0.581SS**  trans-88.3113.517553.30000109.9V27V27-T29 HydrophobicContact CG1-CG2 4.02Å; V27-T29 PolarHBondContact O-N 3.16Å
30S68.4Low71.9Confident62 Ų6293.2 Ų93.243%0.43455%0.55SS.*  trans-106.3133.5172.379.50000110.7S32 G33 G34S30-S32 PolarHBondContact O-N 2.96Å; S30-S32 PolarHBondContact OG-OG 3.4Å; S30-G33 PolarHBondContact O-N 3.41Å; S30-G33 PolarHBondContact OG-N 3.19Å; S30-G34 PolarHBondContact O-N 2.87Å
31A66.2Low73Confident94 Ų9493.8 Ų93.878%0.77754%0.541SS*.Hα-helixtrans-62.5-30.5178.800000112.5T35A31-T35 PolarHBondContact O-N 3.41Å; A31-T35 PolarHBondContact O-OG1 3.17Å; A31-T35 VanDerWaalsContact O-OG1 3.1Å
32S73.2Confident74.3Confident72 Ų7288.9 Ų88.950%0.50353%0.527SS..Hα-helixtrans-70.6-42.3174.751.60000112.3S30 G34 T35 V36S30-S32 PolarHBondContact O-N 2.96Å; S30-S32 PolarHBondContact OG-OG 3.4Å; S32-G34 PolarHBondContact O-N 3.07Å; S32-T35 PolarHBondContact O-N 3.31Å; S32-V36 WeakPolarHBondContact O-CG2 3.31Å; S32-V36 PolarHBondContact O-N 3.47Å; S32-V36 VanDerWaalsContact O-N 3.17Å
33G74.6Confident75.4Confident17 Ų1785.9 Ų85.918%0.17551%0.513CS..Hα-helixtrans-66-36179.100000113.4S30 S37S30-G33 PolarHBondContact O-N 3.41Å; S30-G33 PolarHBondContact OG-N 3.19Å; G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 2.89Å; G33-S37 PolarHBondContact O-OG 3.42Å
34G80.3Confident76.4Confident37 Ų3784 Ų8438%0.38150%0.495SS..Hα-helixtrans-62.4-42.6173.800000113S30 S32 S37 I38S30-G34 PolarHBondContact O-N 2.87Å; S32-G34 PolarHBondContact O-N 3.07Å; G34-S37 PolarHBondContact O-N 3.28Å; G34-I38 WeakPolarHBondContact O-CG1 3.3Å; G34-I38 PolarHBondContact O-N 3.43Å
35T82.4Confident78Confident83 Ų8379.2 Ų79.251%0.50948%0.476SS..Hα-helixtrans-66.7-43.9179.4-53.40000111.7A31 S32 S37 I38 I39A31-T35 PolarHBondContact O-N 3.41Å; A31-T35 PolarHBondContact O-OG1 3.17Å; A31-T35 VanDerWaalsContact O-OG1 3.1Å; S32-T35 PolarHBondContact O-N 3.31Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 3.05Å; T35-I38 PolarHBondContact O-N 3.38Å; T35-I39 HydrophobicContact CG2-CD1 4.23Å; T35-I39 WeakPolarHBondContact O-CG1 3.16Å; T35-I39 PolarHBondContact O-N 2.9Å
36V83.9Confident79.6Confident54 Ų5478.3 Ų78.333%0.32747%0.466SS..Hα-helixtrans-62.2-40.4176.8173.80000111.1S32 I39 A40 T328S32-V36 WeakPolarHBondContact O-CG2 3.31Å; S32-V36 PolarHBondContact O-N 3.47Å; S32-V36 VanDerWaalsContact O-N 3.17Å; V36-I39 PolarHBondContact O-N 3.31Å; V36-A40 WeakPolarHBondContact O-CB 3.21Å; V36-A40 PolarHBondContact O-N 3.45Å; V36-T328 HydrophobicContact CG1-CG2 3.59Å
37S85.4Confident81.6Confident56 Ų5673 Ų7339%0.39245%0.45SS..Hα-helixtrans-63.2-43.9176.8-58.80000111.7G33 G34 T35 I39 A40 F41G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 2.89Å; G33-S37 PolarHBondContact O-OG 3.42Å; G34-S37 PolarHBondContact O-N 3.28Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 3.05Å; S37-I39 VanDerWaalsContact C-N 3.34Å; S37-I39 PolarHBondContact O-N 2.95Å; S37-A40 PolarHBondContact O-N 2.8Å; S37-F41 WeakPolarHBondContact O-CD2 3.26Å; S37-F41 PolarHBondContact O-N 3.03Å
38I89.4Confident83.6Confident121 Ų12170.9 Ų70.962%0.62144%0.44SS*.Hα-helixtrans-60.4-44.6176.7-68.9165.4000111G34 T35 F41 S42G34-I38 WeakPolarHBondContact O-CG1 3.3Å; G34-I38 PolarHBondContact O-N 3.43Å; T35-I38 PolarHBondContact O-N 3.38Å; I38-F41 PolarHBondContact O-N 3.46Å; I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 2.99Å; I38-S42 PolarHBondContact O-OG 2.86Å
39I89.9Confident85.4Confident103 Ų10367.7 Ų67.753%0.52843%0.427SS..Hα-helixtrans-61.6-47.5177.1-66.2167.9000110.1T35 V36 S37 F41 S42 A43T35-I39 HydrophobicContact CG2-CD1 4.23Å; T35-I39 WeakPolarHBondContact O-CG1 3.16Å; T35-I39 PolarHBondContact O-N 2.9Å; V36-I39 PolarHBondContact O-N 3.31Å; S37-I39 VanDerWaalsContact C-N 3.34Å; S37-I39 PolarHBondContact O-N 2.95Å; I39-F41 PolarHBondContact O-N 2.94Å; I39-S42 PolarHBondContact O-N 3.36Å; I39-S42 PolarHBondContact O-OG 3.05Å; I39-A43 WeakPolarHBondContact O-CB 3.39Å; I39-A43 PolarHBondContact O-N 3.05Å
40A89.9Confident87.1Confident9 Ų966 Ų667%0.07441%0.413CS..Hα-helixtrans-60.9-4517900000112.6V36 S37 A43 M44 I324 T328V36-A40 WeakPolarHBondContact O-CB 3.21Å; V36-A40 PolarHBondContact O-N 3.45Å; S37-A40 PolarHBondContact O-N 2.8Å; A40-A43 PolarHBondContact O-N 3.46Å; A40-M44 WeakPolarHBondContact O-CG 3.34Å; A40-M44 PolarHBondContact O-N 2.92Å; A40-I324 HydrophobicContact CB-CG2 4.11Å; A40-T328 HydrophobicContact CB-CG2 3.98Å
41F91.4Very high88.4Confident134 Ų13463.8 Ų63.859%0.58840%0.396SS*.Hα-helixtrans-64-39.6175.3-79.9-68.1000112.7S37 I38 I39 M44 A45S37-F41 WeakPolarHBondContact O-CD2 3.26Å; S37-F41 PolarHBondContact O-N 3.03Å; I38-F41 PolarHBondContact O-N 3.46Å; I39-F41 PolarHBondContact O-N 2.94Å; F41-M44 HydrophobicContact CB-CE 4.49Å; F41-M44 HydrophobicContact CD1-CE 3.51Å; F41-M44 HydrophobicContact CE1-CE 3.78Å; F41-M44 HydrophobicContact CG-CE 3.99Å; F41-M44 HydrophobicContact CZ-CE 4.47Å; F41-M44 PolarHBondContact O-N 3.39Å; F41-A45 WeakPolarHBondContact O-CB 3.25Å; F41-A45 PolarHBondContact O-N 3.19Å
42S93.8Very high89.8Confident62 Ų6263.5 Ų63.543%0.43438%0.377SS..Hα-helixtrans-63.8-42.417575.10000111.7I38 I39 A45 V46I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 2.99Å; I38-S42 PolarHBondContact O-OG 2.86Å; I39-S42 PolarHBondContact O-N 3.36Å; I39-S42 PolarHBondContact O-OG 3.05Å; S42-A45 PolarHBondContact O-N 2.87Å; S42-V46 WeakPolarHBondContact O-CG2 3.41Å; S42-V46 PolarHBondContact O-N 3.34Å
43A93.4Very high90.8Very high38 Ų3866.1 Ų66.131%0.31438%0.38SS..Hα-helixtrans-64.2-43.7176.400000111.8I39 A40 A45 V46 L47I39-A43 WeakPolarHBondContact O-CB 3.39Å; I39-A43 PolarHBondContact O-N 3.05Å; A40-A43 PolarHBondContact O-N 3.46Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 3.35Å; A43-V46 PolarHBondContact O-N 2.92Å; A43-L47 WeakPolarHBondContact O-CG 3.43Å; A43-L47 PolarHBondContact O-N 3.28Å
44M94.8Very high91.6Very high17 Ų1769 Ų698%0.08439%0.394CS..Hα-helixtrans-57.9-45.1173.7-76.8-173.2-81.200111.7A40 F41 A48 V321 I324A40-M44 WeakPolarHBondContact O-CG 3.34Å; A40-M44 PolarHBondContact O-N 2.92Å; F41-M44 HydrophobicContact CB-CE 4.49Å; F41-M44 HydrophobicContact CD1-CE 3.51Å; F41-M44 HydrophobicContact CE1-CE 3.78Å; F41-M44 HydrophobicContact CG-CE 3.99Å; F41-M44 HydrophobicContact CZ-CE 4.47Å; F41-M44 PolarHBondContact O-N 3.39Å; M44-A48 VanDerWaalsContact O-CB 3.25Å; M44-A48 WeakPolarHBondContact O-CB 3.43Å; M44-A48 PolarHBondContact O-N 3.27Å; M44-V321 HydrophobicContact SD-CB 4.48Å; M44-V321 HydrophobicContact SD-CG1 4.06Å; M44-I324 HydrophobicContact CB-CD1 4.28Å; M44-I324 HydrophobicContact CE-CG2 4.31Å; M44-I324 HydrophobicContact CG-CB 3.67Å; M44-I324 HydrophobicContact CG-CD1 3.49Å; M44-I324 VanDerWaalsContact CG-CD1 3.49Å; M44-I324 HydrophobicContact CG-CG1 4.15Å; M44-I324 HydrophobicContact CG-CG2 3.65Å; M44-I324 HydrophobicContact SD-CB 4.12Å; M44-I324 HydrophobicContact SD-CG2 4.13Å
45A94.4Very high92.2Very high50 Ų5070.2 Ų70.241%0.41339%0.387SS..Hα-helixtrans-63.9-45.1178.400000112.1F41 S42 A43 A48 I49F41-A45 WeakPolarHBondContact O-CB 3.25Å; F41-A45 PolarHBondContact O-N 3.19Å; S42-A45 PolarHBondContact O-N 2.87Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 3.35Å; A45-A48 PolarHBondContact O-N 3.45Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.35Å; A45-I49 PolarHBondContact O-N 3.39Å
46V96.4Very high92.5Very high82 Ų8274.8 Ų74.850%0.49740%0.395SS..Hα-helixtrans-61.7-48.2177.9171.60000110.9S42 A43 A48 I49 L50S42-V46 WeakPolarHBondContact O-CG2 3.41Å; S42-V46 PolarHBondContact O-N 3.34Å; A43-V46 PolarHBondContact O-N 2.92Å; V46-A48 PolarHBondContact O-N 3.46Å; V46-I49 PolarHBondContact O-N 2.89Å; V46-L50 HydrophobicContact CG1-CD1 4.04Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CG 3.41Å; V46-L50 PolarHBondContact O-N 3.27Å
47L96.1Very high92.7Very high76 Ų7676.5 Ų76.540%0.39840%0.403SS..Hα-helixtrans-65.1-38.5179.1-68.6-173.6000112.4A43 I49 L50 E51 I320 I324A43-L47 WeakPolarHBondContact O-CG 3.43Å; A43-L47 PolarHBondContact O-N 3.28Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.38Å; L47-L50 HydrophobicContact CD2-CD1 4.34Å; L47-L50 PolarHBondContact O-N 2.86Å; L47-E51 VanDerWaalsContact O-CB 3.26Å; L47-E51 WeakPolarHBondContact O-CB 3.43Å; L47-E51 PolarHBondContact O-N 3.24Å; L47-I320 HydrophobicContact CB-CG2 3.76Å; L47-I320 HydrophobicContact CD1-CG2 4Å; L47-I324 HydrophobicContact CD1-CD1 3.71Å
48A95.6Very high92.7Very high28 Ų2875.2 Ų75.223%0.23139%0.392CS..Hα-helixtrans-62.7-39.817500000112.1M44 A45 V46 E51 F52 L317M44-A48 VanDerWaalsContact O-CB 3.25Å; M44-A48 WeakPolarHBondContact O-CB 3.43Å; M44-A48 PolarHBondContact O-N 3.27Å; A45-A48 PolarHBondContact O-N 3.45Å; V46-A48 PolarHBondContact O-N 3.46Å; A48-E51 PolarHBondContact O-N 3.3Å; A48-F52 WeakPolarHBondContact O-CB 3.12Å; A48-F52 PolarHBondContact O-N 2.92Å; A48-L317 HydrophobicContact CB-CD1 3.7Å
49I95.6Very high92.5Very high95 Ų9574.1 Ų74.149%0.48738%0.381SS..Hα-helixtrans-65.3-45.5175.2-70.3165.2000110.7A45 V46 L47 E51 F52 F53A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.35Å; A45-I49 PolarHBondContact O-N 3.39Å; V46-I49 PolarHBondContact O-N 2.89Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.38Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 2.99Å; I49-F52 WeakPolarHBondContact O-CB 3.45Å; I49-F52 PolarHBondContact O-N 3.48Å; I49-F53 HydrophobicContact CG2-CD2 3.82Å; I49-F53 HydrophobicContact CG2-CE2 3.39Å; I49-F53 HydrophobicContact CG2-CZ 4.38Å; I49-F53 WeakPolarHBondContact O-CD2 3.38Å; I49-F53 PolarHBondContact O-N 3.49Å
50L95Very high92.2Very high95 Ų9570 Ų7050%0.49736%0.359SS..Hα-helixtrans-61.6-43.8176.7-70174.5000111.5V46 L47 F52 F53 V54V46-L50 HydrophobicContact CG1-CD1 4.04Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CG 3.41Å; V46-L50 PolarHBondContact O-N 3.27Å; L47-L50 HydrophobicContact CD2-CD1 4.34Å; L47-L50 PolarHBondContact O-N 2.86Å; L50-F52 VanDerWaalsContact C-N 3.28Å; L50-F52 PolarHBondContact O-N 2.96Å; L50-F53 WeakPolarHBondContact O-CB 3.43Å; L50-F53 PolarHBondContact O-N 3.17Å; L50-F53 VanDerWaalsContact O-N 3.12Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 2.97Å
51E95.6Very high92.1Very high16 Ų1673.4 Ų73.48%0.07537%0.372CS..Hα-helixtrans-63.3-35.3176.7-172.460-150.700111.8L47 A48 I49 V54 Y55 F313 R316 I320L47-E51 VanDerWaalsContact O-CB 3.26Å; L47-E51 WeakPolarHBondContact O-CB 3.43Å; L47-E51 PolarHBondContact O-N 3.24Å; A48-E51 PolarHBondContact O-N 3.3Å; I49-E51 VanDerWaalsContact C-N 3.34Å; I49-E51 PolarHBondContact O-N 2.99Å; E51-V54 PolarHBondContact O-N 2.97Å; E51-Y55 WeakPolarHBondContact O-CB 3.38Å; E51-Y55 PolarHBondContact O-N 3.26Å; E51-F313 HydrophobicContact CG-CD2 4.14Å; E51-F313 HydrophobicContact CG-CE2 3.95Å; E51-R316 IonicContact OE1-CZ 3.36Å; E51-R316 IonicContact OE1-NE 3.75Å; E51-R316 PolarHBondContact OE1-NE 3.45Å; E51-R316 IonicContact OE1-NH2 3.21Å; E51-R316 PolarHBondContact OE1-NH2 2.99Å; E51-R316 IonicContact OE2-CZ 3.65Å; E51-R316 IonicContact OE2-NE 3.49Å; E51-R316 IonicContact OE2-NH2 2.79Å; E51-R316 PolarHBondContact OE2-NH2 3.45Å; E51-I320 HydrophobicContact CB-CD1 4Å; E51-I320 HydrophobicContact CG-CD1 3.99Å
52F94.6Very high92Very high89 Ų8970.2 Ų70.239%0.3936%0.357SS..Hα-helixtrans-65.6-39.5172.5178.8-102.2000112.4A48 I49 L50 Y55 R56 F313A48-F52 WeakPolarHBondContact O-CB 3.12Å; A48-F52 PolarHBondContact O-N 2.92Å; I49-F52 WeakPolarHBondContact O-CB 3.45Å; I49-F52 PolarHBondContact O-N 3.48Å; L50-F52 VanDerWaalsContact C-N 3.28Å; L50-F52 PolarHBondContact O-N 2.96Å; F52-Y55 HydrophobicContact CD2-CD1 4.42Å; F52-Y55 PolarHBondContact O-N 3.32Å; F52-R56 HydrophobicContact CE1-CG 4.12Å; F52-R56 HydrophobicContact CE2-CG 4.37Å; F52-R56 HydrophobicContact CZ-CG 4.05Å; F52-R56 WeakPolarHBondContact O-CG 3.42Å; F52-R56 PolarHBondContact O-N 2.87Å; F52-F313 HydrophobicContact CD2-CZ 4.37Å
53F93.6Very high91.9Very high127 Ų12770.5 Ų70.556%0.55735%0.351SS*.Hα-helixtrans-64.3-40.9173.3-73.6-61.6000111.9I49 L50 R56 D57I49-F53 HydrophobicContact CG2-CD2 3.82Å; I49-F53 HydrophobicContact CG2-CE2 3.39Å; I49-F53 HydrophobicContact CG2-CZ 4.38Å; I49-F53 WeakPolarHBondContact O-CD2 3.38Å; I49-F53 PolarHBondContact O-N 3.49Å; L50-F53 WeakPolarHBondContact O-CB 3.43Å; L50-F53 PolarHBondContact O-N 3.17Å; L50-F53 VanDerWaalsContact O-N 3.12Å; F53-R56 PolarHBondContact O-N 3.36Å; F53-D57 PolarHBondContact O-N 3.06Å; F53-D57 VanDerWaalsContact O-N 3.12Å
54V91.6Very high91.9Very high78 Ų7876.7 Ų76.747%0.47337%0.368SS..Hα-helixtrans-62.4-42.7173.9173.10000111.4L50 E51 R56 D57L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 2.97Å; E51-V54 PolarHBondContact O-N 2.97Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.47Å; V54-D57 PolarHBondContact O-N 2.94Å
55Y92.9Very high91.8Very high62 Ų6280.1 Ų80.124%0.24338%0.384CS..Hα-helixtrans-61.2-35176.2170-108.9000113E51 F52 D57 M308 F313E51-Y55 WeakPolarHBondContact O-CB 3.38Å; E51-Y55 PolarHBondContact O-N 3.26Å; F52-Y55 HydrophobicContact CD2-CD1 4.42Å; F52-Y55 PolarHBondContact O-N 3.32Å; Y55-D57 VanDerWaalsContact C-N 3.34Å; Y55-M308 HydrophobicContact CD2-CB 4.01Å; Y55-M308 HydrophobicContact CD2-CE 3.83Å; Y55-M308 HydrophobicContact CD2-CG 4.18Å; Y55-M308 VanDerWaalsContact CE2-O 3.27Å; Y55-M308 WeakPolarHBondContact CE2-O 3.26Å; Y55-M308 HydrophobicContact CG-CE 4.25Å; Y55-F313 HydrophobicContact CD2-CB 3.68Å; Y55-F313 HydrophobicContact CD2-CD1 4.49Å; Y55-F313 HydrophobicContact CD2-CD2 4.15Å; Y55-F313 AromaticContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CE2-CB 4.06Å; Y55-F313 HydrophobicContact CE2-CG 4.38Å; Y55-F313 HydrophobicContact CG-CB 4.27Å; Y55-F313 HydrophobicContact CG-CD1 4.44Å; Y55-F313 AromaticContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CE2 4.33Å; Y55-F313 AromaticContact CG-CG 3.92Å; Y55-F313 HydrophobicContact CG-CG 3.92Å
56R89.6Confident91.8Very high178 Ų17882.1 Ų82.167%0.67239%0.39SS*.Hα-helixtrans-77.4-19.7177.5-76.1-167.565.2159.73113.8F52 F53 V54F52-R56 HydrophobicContact CE1-CG 4.12Å; F52-R56 HydrophobicContact CE2-CG 4.37Å; F52-R56 HydrophobicContact CZ-CG 4.05Å; F52-R56 WeakPolarHBondContact O-CG 3.42Å; F52-R56 PolarHBondContact O-N 2.87Å; F53-R56 PolarHBondContact O-N 3.36Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.47Å
57D87.8Confident91.5Very high91 Ų9178.6 Ų78.649%0.48737%0.369SS..  trans-81.4146.9176.4-161.926000110.5F53 V54 Y55 K145F53-D57 PolarHBondContact O-N 3.06Å; F53-D57 VanDerWaalsContact O-N 3.12Å; V54-D57 PolarHBondContact O-N 2.94Å; Y55-D57 VanDerWaalsContact C-N 3.34Å; D57-K145 IonicContact OD1-NZ 2.9Å; D57-K145 PolarHBondContact OD1-NZ 2.99Å; D57-K145 IonicContact OD2-NZ 2.66Å
58T85.3Confident91.2Very high29 Ų2983.6 Ų83.618%0.17839%0.387CS..EExtended strand (participates in β ladder)trans-104.6155176.555.60000109.9K145 E305 Q306 H307T58-K145 WeakPolarHBondContact O-CE 3.26Å; T58-K145 PolarHBondContact O-NZ 2.9Å; T58-E305 VanDerWaalsContact CB-OE1 3.3Å; T58-E305 WeakPolarHBondContact CB-OE1 3.49Å; T58-E305 HydrophobicContact CG2-CG 4.17Å; T58-E305 WeakPolarHBondContact CG2-OE1 3.42Å; T58-E305 PolarHBondContact OG1-OE1 2.93Å; T58-Q306 WeakPolarHBondContact CA-O 3.01Å; T58-H307 HydrophobicContact CG2-CB 4.4Å
59W85.1Confident90.7Very high98 Ų9885.2 Ų85.237%0.37139%0.392SS..EExtended strand (participates in β ladder)trans-124.4151171.861.584.7000110.4Q306 M308W59-Q306 HydrophobicContact CZ2-CB 4.22Å; W59-Q306 PolarHBondContact N-O 2.79Å; W59-Q306 PolarHBondContact O-N 3.36Å; W59-M308 HydrophobicContact CH2-CB 3.84Å; W59-M308 HydrophobicContact CZ3-CB 3.91Å
60M84.2Confident89.9Confident16 Ų1687.7 Ų87.78%0.07940%0.4CS..EExtended strand (participates in β ladder)trans-85.4128.5175.1-57.4-52.4-62.600108.6Y62 E141 T259 V303 E305M60-Y62 HydrophobicContact CB-CE2 3.93Å; M60-E141 HydrophobicContact CB-CG 4.47Å; M60-T259 HydrophobicContact CE-CG2 4.05Å; M60-V303 HydrophobicContact CE-CG1 3.37Å; M60-E305 HydrophobicContact CE-CB 4.43Å; M60-E305 HydrophobicContact SD-CB 4.17Å; M60-E305 HydrophobicContact SD-CG 4.29Å
61K88.1Confident89.2Confident80 Ų8088.4 Ų88.435%0.34841%0.412SS..EExtended strand (participates in β ladder)trans-108.8124.7174-169.9-175.2-177.4-164.70109.4E63 S304 Q306K61-E63 HydrophobicContact CD-CG 4.32Å; K61-E63 WeakPolarHBondContact CE-OE1 3.29Å; K61-E63 HydrophobicContact CG-CG 4.35Å; K61-E63 IonicContact NZ-OE1 3.69Å; K61-E63 PolarHBondContact NZ-OE1 3.45Å; K61-S304 PolarHBondContact N-O 3.19Å; K61-S304 PolarHBondContact O-N 3.48Å; K61-Q306 HydrophobicContact CB-CG 4.13Å
62Y88.6Confident88.8Confident68 Ų6889.5 Ų89.527%0.26742%0.422SS..EExtended strand (participates in β ladder)trans-100118.6177.3-59.4-94000109.4M60 E141 V301 V303M60-Y62 HydrophobicContact CB-CE2 3.93Å; Y62-E141 HydrophobicContact CE2-CG 4.05Å; Y62-E141 WeakPolarHBondContact CE2-OE1 3.04Å; Y62-V301 HydrophobicContact CD1-CG1 4.11Å; Y62-V303 HydrophobicContact CD1-CG1 4.43Å; Y62-V303 HydrophobicContact CD1-CG2 3.66Å; Y62-V303 HydrophobicContact CE1-CG1 4.03Å; Y62-V303 HydrophobicContact CE1-CG2 3.71Å
63E91.9Very high88.6Confident67 Ų6791 Ų9131%0.31343%0.428SS..EExtended strand (participates in β ladder)trans-116.3135.2175-66.6-177.9166.800109.3K61 V301 T302K61-E63 HydrophobicContact CD-CG 4.32Å; K61-E63 WeakPolarHBondContact CE-OE1 3.29Å; K61-E63 HydrophobicContact CG-CG 4.35Å; K61-E63 IonicContact NZ-OE1 3.69Å; K61-E63 PolarHBondContact NZ-OE1 3.45Å; E63-V301 CarbonylContact O-C 3.59Å; E63-V301 WeakPolarHBondContact O-CA 3.35Å; E63-T302 PolarHBondContact N-O 3.11Å; E63-T302 PolarHBondContact O-N 2.87Å
64Y92.4Very high88.4Confident169 Ų16985 Ų8566%0.66340%0.402SS*.EExtended strand (participates in β ladder)trans-102.4123.4179.8-61.4-88.7000109M300 V301Y64-M300 WeakPolarHBondContact CA-O 3.41Å; Y64-V301 HydrophobicContact CD1-CG2 3.76Å; Y64-V301 HydrophobicContact CE1-CG2 3.68Å
65E93.4Very high88.4Confident89 Ų8984.4 Ų84.442%0.41639%0.391SS..EExtended strand (participates in β ladder)trans-128.3166.9-179.5-64.1-172.3171.400110.3M300E65-M300 HydrophobicContact CB-CE 3.89Å; E65-M300 PolarHBondContact N-O 2.83Å; E65-M300 PolarHBondContact O-N 2.9Å; E65-M300 WeakPolarHBondContact OE2-CE 3.43Å
66V94Very high88.4Confident91 Ų9181.6 Ų81.655%0.55238%0.38SS*.EExtended strand (participates in β ladder)trans-85.2131.2170.3-179.70000108.1K68V66-K68 PolarHBondContact O-N 3.49Å
67D90.6Very high88.6Confident8 Ų873.2 Ų73.24%0.04335%0.349CS..  trans-66125.3173.3-1716000110.5D69 F70 K179 P254 S298 M300D67-D69 PolarHBondContact OD1-N 2.88Å; D67-F70 WeakPolarHBondContact O-CZ 3.45Å; D67-K179 IonicContact OD1-NZ 2.69Å; D67-K179 PolarHBondContact OD1-NZ 3.05Å; D67-K179 WeakPolarHBondContact OD2-CE 3.33Å; D67-K179 IonicContact OD2-NZ 3.79Å; D67-K179 PolarHBondContact OD2-NZ 2.97Å; D67-P254 WeakPolarHBondContact OD2-CG 3.15Å; D67-S298 PolarHBondContact N-O 3.2Å; D67-M300 HydrophobicContact CB-CB 4.13Å
68K89.3Confident88.9Confident181 Ų18169.1 Ų69.179%0.78733%0.327SS*.  trans-104.6-9.7-179.2-62.9176.6-173.7169.10112.2V66V66-K68 PolarHBondContact O-N 3.49Å
69D84.8Confident89.4Confident63 Ų6368.9 Ų68.934%0.33733%0.325SS..  trans-101.493.2-174.2-179.420.4000111D67 S71 S72 K179D67-D69 PolarHBondContact OD1-N 2.88Å; D69-S71 PolarHBondContact OD1-N 3.32Å; D69-S71 PolarHBondContact OD1-OG 2.71Å; D69-S72 PolarHBondContact OD1-N 3.29Å; D69-S72 PolarHBondContact OD1-OG 2.95Å; D69-S72 WeakPolarHBondContact OD2-CB 3.39Å; D69-S72 PolarHBondContact OD2-OG 3.24Å; D69-K179 WeakPolarHBondContact O-CD 3.4Å; D69-K179 PolarHBondContact O-NZ 3.49Å
70F79.1Confident89.9Confident147 Ų14764.6 Ų64.665%0.64531%0.309SS*.  trans-97-10.3178.6-57.4-79000113.3D67D67-F70 WeakPolarHBondContact O-CZ 3.45Å
71S81.8Confident90.5Very high109 Ų10963.9 Ų63.976%0.76231%0.306SS*.SBendtrans-95.5-19.9-173.362.80000113.1D69D69-S71 PolarHBondContact OD1-N 3.32Å; D69-S71 PolarHBondContact OD1-OG 2.71Å
72S86.9Confident90.9Very high40 Ų4060 Ų6028%0.2829%0.289SS..SBendtrans-64.3151.217657.50000112.7D69 K179D69-S72 PolarHBondContact OD1-N 3.29Å; D69-S72 PolarHBondContact OD1-OG 2.95Å; D69-S72 WeakPolarHBondContact OD2-CB 3.39Å; D69-S72 PolarHBondContact OD2-OG 3.24Å; S72-K179 WeakPolarHBondContact O-CB 3.08Å
73K89.1Confident91.2Very high120 Ų12057.5 Ų57.552%0.52228%0.282SS..EExtended strand (participates in β ladder)trans-84.6137.2173.4-61.9-67.6-178.4170.50109.1Y176 V177 N178K73-Y176 HydrophobicContact CB-CD1 4.22Å; K73-V177 CarbonylContact C-O 3.59Å; K73-V177 VanDerWaalsContact CA-O 3.29Å; K73-V177 WeakPolarHBondContact CA-O 3.33Å; K73-N178 PolarHBondContact NZ-OD1 2.98Å
74L90.3Very high91.3Very high2 Ų254.5 Ų54.51%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-85.1123.6172.1179.663.2000108.8V177 K179 F221 T296L74-V177 HydrophobicContact CB-CG2 3.89Å; L74-V177 HydrophobicContact CD2-CG2 4.33Å; L74-V177 HydrophobicContact CG-CG2 4.31Å; L74-V177 PolarHBondContact N-O 3.43Å; L74-V177 WeakPolarHBondContact O-CG2 3.32Å; L74-V177 PolarHBondContact O-N 3.47Å; L74-K179 HydrophobicContact CB-CB 4.45Å; L74-F221 HydrophobicContact CD1-CB 4.25Å; L74-F221 HydrophobicContact CD2-CD1 3.94Å; L74-F221 HydrophobicContact CG-CD1 4.32Å; L74-T296 HydrophobicContact CD2-CG2 4.18Å
75R91.9Very high91.3Very high65 Ų6552.4 Ų52.425%0.24526%0.262CS..EExtended strand (participates in β ladder)trans-83.1129.9170.4-178.9175.6168-174.4-9.9108.8N77 H174 A175 Y176 F221 G222R75-N77 VanDerWaalsContact CZ-OD1 3.27Å; R75-N77 PolarHBondContact NE-OD1 3Å; R75-N77 PolarHBondContact NH2-OD1 2.95Å; R75-H174 HydrophobicContact CG-CB 4.32Å; R75-A175 CarbonylContact C-O 3.55Å; R75-A175 WeakPolarHBondContact CA-O 3.46Å; R75-Y176 HydrophobicContact CB-CD1 4.08Å; R75-Y176 HydrophobicContact CB-CE1 3.87Å; R75-Y176 HydrophobicContact CG-CE1 4.2Å; R75-F221 CarbonylContact O-C 3.14Å; R75-F221 WeakPolarHBondContact O-CA 3.25Å; R75-G222 PolarHBondContact O-N 2.68Å
76I93Very high91.2Very high2 Ų249.3 Ų49.31%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-112.2123171.1-51.5-179000107.1V78 H174 A175 V177 L219 F221 Y294I76-V78 HydrophobicContact CG2-CG2 3.75Å; I76-H174 CarbonylContact O-C 3.58Å; I76-H174 WeakPolarHBondContact O-CA 3.27Å; I76-A175 PolarHBondContact N-O 3.18Å; I76-A175 PolarHBondContact O-N 2.93Å; I76-V177 HydrophobicContact CD1-CG1 4Å; I76-V177 HydrophobicContact CD1-CG2 3.68Å; I76-V177 HydrophobicContact CG1-CG2 3.95Å; I76-L219 HydrophobicContact CG2-CD1 4.3Å; I76-F221 HydrophobicContact CB-CD1 4.48Å; I76-F221 HydrophobicContact CD1-CD1 4.41Å; I76-F221 HydrophobicContact CD1-CE1 3.96Å; I76-F221 HydrophobicContact CG1-CD1 3.86Å; I76-F221 HydrophobicContact CG1-CE1 3.88Å; I76-F221 HydrophobicContact CG2-CD1 4.3Å; I76-F221 HydrophobicContact CG2-CE1 4.02Å; I76-Y294 HydrophobicContact CD1-CD1 4.28Å; I76-Y294 HydrophobicContact CD1-CE1 3.69Å; I76-Y294 HydrophobicContact CD1-CE2 4.28Å
77N93.6Very high90.9Very high3 Ų352.5 Ų52.52%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-101.9125.3172.4-47.2-64.4000108.2R75 H174 L219 S220 G222 E224R75-N77 VanDerWaalsContact CZ-OD1 3.27Å; R75-N77 PolarHBondContact NE-OD1 3Å; R75-N77 PolarHBondContact NH2-OD1 2.95Å; N77-H174 WeakPolarHBondContact OD1-CB 3.45Å; N77-L219 WeakPolarHBondContact O-CA 3.47Å; N77-S220 WeakPolarHBondContact CB-OG 3.44Å; N77-S220 PolarHBondContact N-O 2.9Å; N77-S220 PolarHBondContact ND2-OG 2.72Å; N77-S220 PolarHBondContact O-N 2.79Å; N77-G222 PolarHBondContact ND2-O 3.44Å; N77-G222 VanDerWaalsContact ND2-O 3.12Å; N77-E224 WeakPolarHBondContact CB-OE1 3.44Å; N77-E224 WeakPolarHBondContact ND2-CG 3.27Å; N77-E224 PolarHBondContact ND2-OE1 2.94Å; N77-E224 PolarHBondContact OD1-OE1 3.3Å
78V94.2Very high90.9Very high5 Ų554.6 Ų54.63%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-125.1132.5-174.5-176.40000107.6I76 V80 L106 H172 G173 L184 L219I76-V78 HydrophobicContact CG2-CG2 3.75Å; V78-V80 HydrophobicContact CG1-CB 4.36Å; V78-V80 HydrophobicContact CG1-CG2 3.7Å; V78-L106 HydrophobicContact CB-CD2 4.22Å; V78-H172 CarbonylContact O-C 3.59Å; V78-H172 WeakPolarHBondContact O-CA 3.48Å; V78-G173 PolarHBondContact N-O 3.39Å; V78-G173 PolarHBondContact O-N 3.44Å; V78-L184 HydrophobicContact CG1-CD2 4.34Å; V78-L184 HydrophobicContact CG2-CD2 3.84Å; V78-L219 HydrophobicContact CG2-CD1 4Å
79D95.1Very high90.9Very high23 Ų2346 Ų4612%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-140.998.6164.8-166.6-8.6000107.7R170 I171 H172 D217 H218D79-R170 WeakPolarHBondContact OD1-CG 3.37Å; D79-R170 IonicContact OD1-CZ 3.57Å; D79-R170 IonicContact OD1-NE 3.28Å; D79-R170 PolarHBondContact OD1-NE 2.91Å; D79-R170 IonicContact OD1-NH2 2.69Å; D79-R170 IonicContact OD2-CZ 3.31Å; D79-R170 IonicContact OD2-NE 3.25Å; D79-R170 PolarHBondContact OD2-NE 3.48Å; D79-R170 IonicContact OD2-NH2 3.58Å; D79-R170 PolarHBondContact OD2-NH2 3.43Å; D79-I171 WeakPolarHBondContact CA-O 3.38Å; D79-H172 HydrophobicContact CB-CB 4.23Å; D79-D217 HydrophobicContact CB-CB 4.24Å; D79-D217 PolarHBondContact O-N 3.13Å; D79-H218 HydrophobicContact CB-CB 3.95Å; D79-H218 PolarHBondContact N-O 3.45Å; D79-H218 PolarHBondContact O-N 2.83Å
80V95.9Very high91.1Very high8 Ų843 Ų435%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-130.4127.7-174.4178.60000109.5V78 V82 I171 I186 R215 I216V78-V80 HydrophobicContact CG1-CB 4.36Å; V78-V80 HydrophobicContact CG1-CG2 3.7Å; V80-V82 HydrophobicContact CG1-CG2 4.14Å; V80-I171 PolarHBondContact N-O 3.12Å; V80-I171 PolarHBondContact O-N 2.94Å; V80-I186 HydrophobicContact CB-CD1 4.4Å; V80-I186 HydrophobicContact CG1-CD1 4.09Å; V80-R215 CarbonylContact C-O 3.57Å; V80-R215 WeakPolarHBondContact CA-O 3.39Å; V80-I216 HydrophobicContact CG2-CB 4.48Å; V80-I216 HydrophobicContact CG2-CG1 4.22Å; V80-I216 HydrophobicContact CG2-CG2 4.22Å
81T96.1Very high91.7Very high1 Ų136 Ų361%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-102.4121.1175-60.10000110V111 F113 A168 C169 H214 R215 D217T81-V111 HydrophobicContact CG2-CG2 3.67Å; T81-F113 HydrophobicContact CG2-CD2 4.21Å; T81-A168 HydrophobicContact CG2-CB 3.9Å; T81-C169 CarbonylContact C-O 3.53Å; T81-C169 WeakPolarHBondContact CA-O 3.46Å; T81-H214 CarbonylContact O-C 3.46Å; T81-H214 WeakPolarHBondContact O-CA 3.47Å; T81-H214 WeakPolarHBondContact O-CB 3.41Å; T81-R215 PolarHBondContact N-O 2.93Å; T81-R215 PolarHBondContact O-N 2.72Å; T81-R215 PolarHBondContact OG1-NH2 3.03Å; T81-D217 PolarHBondContact OG1-OD2 2.95Å
82V96.7Very high91.9Very high0 Ų030.8 Ų30.80%015%0.148CC..EExtended strand (participates in β ladder)trans-110.1137.8178.2-175.20000109.9V80 M84 A168 C169 I171 I186 H214 I290V80-V82 HydrophobicContact CG1-CG2 4.14Å; V82-M84 HydrophobicContact CG1-CB 4.37Å; V82-M84 HydrophobicContact CG1-CG 4.33Å; V82-M84 PolarHBondContact O-N 3.47Å; V82-A168 CarbonylContact O-C 3.56Å; V82-A168 WeakPolarHBondContact O-CA 3.38Å; V82-A168 WeakPolarHBondContact O-CB 3.33Å; V82-C169 PolarHBondContact N-O 3.25Å; V82-C169 PolarHBondContact O-N 3.34Å; V82-I171 HydrophobicContact CG2-CD1 4.48Å; V82-I186 HydrophobicContact CG2-CG2 4.17Å; V82-H214 HydrophobicContact CG2-CB 4.23Å; V82-I290 HydrophobicContact CG1-CD1 4.32Å; V82-I290 HydrophobicContact CG2-CD1 3.87Å
83A95.5Very high92.1Very high14 Ų1428.9 Ų28.912%0.11614%0.135CC..SBendtrans-73.243.7-179.200000113.9F113 N167 N211 S213A83-F113 HydrophobicContact CB-CD1 4.47Å; A83-F113 HydrophobicContact CB-CD2 3.65Å; A83-F113 HydrophobicContact CB-CE2 3.9Å; A83-F113 HydrophobicContact CB-CG 3.96Å; A83-F113 HydrophobicContact CB-CZ 4.42Å; A83-N167 CarbonylContact C-O 3.58Å; A83-N211 HydrophobicContact CB-CB 4.48Å; A83-N211 WeakPolarHBondContact O-CB 3.23Å; A83-S213 WeakPolarHBondContact CB-O 3.47Å; A83-S213 PolarHBondContact N-O 3.19Å
84M93.1Very high92Very high5 Ų524.2 Ų24.23%0.02512%0.116CC..SBendtrans-136.9152.5176.9-681786200109.9V82 H88 N167 A168 C169 V188 N211 F212V82-M84 HydrophobicContact CG1-CB 4.37Å; V82-M84 HydrophobicContact CG1-CG 4.33Å; V82-M84 PolarHBondContact O-N 3.47Å; M84-H88 HydrophobicContact CE-CB 3.92Å; M84-N167 CarbonylContact C-O 3.56Å; M84-N167 PolarHBondContact N-O 3.09Å; M84-A168 CarbonylContact O-C 3.53Å; M84-A168 WeakPolarHBondContact O-CA 3.49Å; M84-C169 VanDerWaalsContact O-CB 3.3Å; M84-C169 WeakPolarHBondContact O-CB 3.5Å; M84-C169 PolarHBondContact O-N 3.36Å; M84-V188 HydrophobicContact CE-CG1 4.33Å; M84-V188 HydrophobicContact CE-CG2 3.98Å; M84-N211 HydrophobicContact CG-CB 4.23Å; M84-N211 VanDerWaalsContact CG-O 3.27Å; M84-N211 WeakPolarHBondContact CG-O 3.49Å; M84-N211 PolarHBondContact SD-N 3.28Å; M84-F212 HydrophobicContact SD-CE1 4.4Å
85K92.5Very high91.7Very high124 Ų12424.6 Ų24.654%0.53912%0.118SC..  trans-63143173.6-66-176.5178179.30110.9Q87 H88K85-Q87 PolarHBondContact O-N 2.99Å; K85-H88 PolarHBondContact O-N 3.44Å
86C91.6Very high91.2Very high24 Ų2428 Ų2816%0.16214%0.14CC..THydrogen-bonded Turntrans-57.9-20180-66.90000115.3H88 E109 C169C86-H88 VanDerWaalsContact C-N 3.31Å; C86-E109 VanDerWaalsContact SG-C 3.52Å; C86-E109 PolarHBondContact SG-O 3.04Å; C86-C169 WeakPolarHBondContact CA-SG 3.5Å; C86-C169 HydrophobicContact CB-CB 3.91Å; C86-C169 WeakPolarHBondContact CB-SG 3.23Å; C86-C169 WeakPolarHBondContact SG-CA 3.48Å; C86-C169 WeakPolarHBondContact SG-CB 3.36Å; C86-C169 CovalentContact SG-SG 2.04Å; C86-C169 PolarHBondContact SG-SG 3.4Å
87Q88.5Confident90.3Very high159 Ų15931.2 Ų31.274%0.74317%0.167SC*.THydrogen-bonded Turntrans-74.5-23.4175.8-65.1175.8-6.500112.8K85K85-Q87 PolarHBondContact O-N 2.99Å
88H89Confident89.2Confident51 Ų5137.8 Ų37.824%0.23620%0.197CC..THydrogen-bonded Turntrans-103.8-3.5-173.9-57.9160.1000113.4M84 K85 C86 V188 G189 V205M84-H88 HydrophobicContact CE-CB 3.92Å; K85-H88 PolarHBondContact O-N 3.44Å; C86-H88 VanDerWaalsContact C-N 3.31Å; H88-V188 CarbonylContact O-C 3.5Å; H88-V188 VanDerWaalsContact O-CA 3.27Å; H88-V188 WeakPolarHBondContact O-CA 3.25Å; H88-V188 WeakPolarHBondContact O-CG1 3.41Å; H88-G189 PolarHBondContact O-N 2.92Å; H88-V205 HydrophobicContact CB-CG1 4.16Å; H88-V205 HydrophobicContact CB-CG2 4.3Å
89V90.3Very high88.1Confident0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-122.4140.5-17766.50000110.3C169 I171 I186V89-C169 HydrophobicContact CG1-CB 3.74Å; V89-I171 HydrophobicContact CG1-CD1 4.43Å; V89-I171 HydrophobicContact CG2-CD1 4.15Å; V89-I186 HydrophobicContact CG2-CG2 3.35Å
90G89.3Confident86.7Confident0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-136.9138.1174.600000110.5I186 T187 G189G90-I186 WeakPolarHBondContact O-CA 3.45Å; G90-T187 PolarHBondContact N-O 3.39Å; G90-T187 PolarHBondContact O-N 3.03Å; G90-G189 WeakPolarHBondContact CA-O 3.42Å; G90-G189 PolarHBondContact N-O 2.89Å
91A90.6Very high85.4Confident0 Ų042.8 Ų42.80%023%0.225CC..EExtended strand (participates in β ladder)trans-105.3136.717100000109.9L106 Y108 I171 L184 H185 I186A91-L106 HydrophobicContact CB-CD1 4Å; A91-Y108 PolarHBondContact N-OH 3.19Å; A91-Y108 PolarHBondContact O-OH 3.12Å; A91-I171 HydrophobicContact CB-CD1 4.25Å; A91-I171 HydrophobicContact CB-CG2 4.03Å; A91-L184 HydrophobicContact CB-CD1 4.37Å; A91-H185 WeakPolarHBondContact CA-O 3.27Å; A91-I186 HydrophobicContact CB-CG1 4.01Å
92D87.6Confident83.8Confident0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-142.4152.1176.3-171.626.4000111.3M100 L184 H185 P191D92-M100 WeakPolarHBondContact OD1-CG 3.26Å; D92-M100 VanDerWaalsContact OD2-CE 3.28Å; D92-M100 WeakPolarHBondContact OD2-CE 3.46Å; D92-M100 WeakPolarHBondContact OD2-CG 3.26Å; D92-L184 CarbonylContact O-C 3.47Å; D92-L184 WeakPolarHBondContact O-CA 3.46Å; D92-H185 PolarHBondContact N-O 3.49Å; D92-H185 PolarHBondContact O-N 3.48Å; D92-H185 PolarHBondContact O-ND1 3.02Å; D92-H185 IonicContact OD2-CE1 3.3Å; D92-P191 HydrophobicContact CB-CB 4.02Å; D92-P191 HydrophobicContact CB-CG 4.18Å
93I89.4Confident82.3Confident1 Ų147.8 Ų47.81%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-124.8120.7-177.1-53.8169.2000109.2I101 A175 V177 L184 Y294I93-I101 PolarHBondContact O-N 2.94Å; I93-A175 HydrophobicContact CD1-CB 3.59Å; I93-V177 HydrophobicContact CD1-CG1 4.31Å; I93-V177 HydrophobicContact CG2-CG1 3.82Å; I93-L184 HydrophobicContact CD1-CD1 4.28Å; I93-L184 HydrophobicContact CG1-CB 4.15Å; I93-L184 HydrophobicContact CG1-CD1 3.6Å; I93-L184 HydrophobicContact CG1-CG 4.44Å; I93-Y294 HydrophobicContact CG2-CE1 4.44Å
94L87.4Confident80.9Confident21 Ų2154 Ų5411%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-115132.8177-60.7169000109.1M100 G182 N183 H185 H198L94-M100 HydrophobicContact CD2-CB 4.1Å; L94-M100 HydrophobicContact CD2-CG 4.3Å; L94-G182 CarbonylContact O-C 3.24Å; L94-G182 WeakPolarHBondContact O-CA 3.44Å; L94-N183 PolarHBondContact N-O 2.95Å; L94-N183 VanDerWaalsContact N-O 3.11Å; L94-N183 PolarHBondContact O-N 2.88Å; L94-H185 VanDerWaalsContact CD1-CE1 3.43Å; L94-H185 WeakPolarHBondContact CD1-CE1 3.34Å; L94-H198 WeakPolarHBondContact CD1-CD2 3.41Å; L94-H198 VanDerWaalsContact CD2-NE2 3.34Å; L94-H198 WeakPolarHBondContact CD2-NE2 3.37Å
95D85.4Confident80.4Confident10 Ų1055.1 Ų55.15%0.05330%0.301CS..EExtended strand (participates in β ladder)trans-86175.5168.866.64.2000111.5A97 E98 T99 N178 V180D95-A97 PolarHBondContact O-N 3.49Å; D95-A97 VanDerWaalsContact O-N 3.11Å; D95-A97 WeakPolarHBondContact OD1-CB 3.43Å; D95-A97 PolarHBondContact OD1-N 3.02Å; D95-E98 WeakPolarHBondContact O-CA 3.15Å; D95-E98 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact OD1-N 3.23Å; D95-T99 PolarHBondContact OD1-N 2.84Å; D95-T99 PolarHBondContact OD1-OG1 3.33Å; D95-T99 PolarHBondContact OD2-OG1 3.48Å; D95-N178 PolarHBondContact OD2-ND2 3.48Å; D95-V180 HydrophobicContact CB-CG2 3.9Å
96L80.4Confident80.3Confident137 Ų13749.9 Ų49.972%0.71728%0.279SS*.THydrogen-bonded Turntrans-58-21.5177.1-169.4120.8000113.3E98 A181L96-E98 PolarHBondContact O-N 3.49Å; L96-A181 WeakPolarHBondContact CB-O 3.25Å; L96-A181 HydrophobicContact CD1-CB 4.03Å; L96-A181 PolarHBondContact N-O 2.84Å
97A75.2Confident80.4Confident69 Ų6954.7 Ų54.757%0.5730%0.299SS*.THydrogen-bonded Turntrans-84.65.1174.500000112.9D95 T99D95-A97 PolarHBondContact O-N 3.49Å; D95-A97 VanDerWaalsContact O-N 3.11Å; D95-A97 WeakPolarHBondContact OD1-CB 3.43Å; D95-A97 PolarHBondContact OD1-N 3.02Å; A97-T99 HydrophobicContact CB-CG2 4.04Å; A97-T99 PolarHBondContact O-N 3.49Å
98E70.4Confident80.6Confident141 Ų14150.4 Ų50.466%0.65928%0.276SS*.  trans53.524.9-174.7-59-177.6170.200112.4D95 L96 H198D95-E98 WeakPolarHBondContact O-CA 3.15Å; D95-E98 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact OD1-N 3.23Å; L96-E98 PolarHBondContact O-N 3.49Å; E98-H198 PolarHBondContact O-CE1 2.84Å
99T70.7Confident80.8Confident70 Ų7051.7 Ų51.743%0.42928%0.283SS..  trans-85.2120.8175.564.70000108.3D95 A97 I101D95-T99 PolarHBondContact OD1-N 2.84Å; D95-T99 PolarHBondContact OD1-OG1 3.33Å; D95-T99 PolarHBondContact OD2-OG1 3.48Å; A97-T99 HydrophobicContact CB-CG2 4.04Å; A97-T99 PolarHBondContact O-N 3.49Å; T99-I101 PolarHBondContact O-N 2.88Å
100M65.8Low81Confident37 Ų3755.1 Ų55.118%0.18231%0.305CS..BIsolated β-bridgetrans-70118.9176.9-164.8-165.5-69.800109D92 L94 P191 H193 H198D92-M100 WeakPolarHBondContact OD1-CG 3.26Å; D92-M100 VanDerWaalsContact OD2-CE 3.28Å; D92-M100 WeakPolarHBondContact OD2-CE 3.46Å; D92-M100 WeakPolarHBondContact OD2-CG 3.26Å; L94-M100 HydrophobicContact CD2-CB 4.1Å; L94-M100 HydrophobicContact CD2-CG 4.3Å; M100-P191 HydrophobicContact CE-CB 4.14Å; M100-H193 PolarHBondContact SD-CE1 2.81Å; M100-H193 PolarHBondContact SD-ND1 2.94Å; M100-H198 HydrophobicContact CE-CB 4.19Å
101I68.2Low81.2Confident35 Ų3556.4 Ų56.418%0.17931%0.313CS..  trans-89.9115.1172.6-57.5174.7000106.6I93 T99 S103 Y176 V177I93-I101 PolarHBondContact O-N 2.94Å; T99-I101 PolarHBondContact O-N 2.88Å; I101-S103 PolarHBondContact O-N 3.5Å; I101-S103 VanDerWaalsContact O-N 3.08Å; I101-Y176 WeakPolarHBondContact CG2-O 3.37Å; I101-V177 HydrophobicContact CD1-CB 3.83Å; I101-V177 HydrophobicContact CD1-CG1 4.04Å
102T62.9Low81.3Confident80 Ų8057 Ų5749%0.49132%0.315SS..  trans-48.8119.4-175.749.90000111.2N104T102-N104 PolarHBondContact O-N 3.25Å
103S64Low81.6Confident25 Ų2558 Ų5818%0.17532%0.32CS..  trans-73.629.5179.7540000113.6I101 G105 L106I101-S103 PolarHBondContact O-N 3.5Å; I101-S103 VanDerWaalsContact O-N 3.08Å; S103-G105 PolarHBondContact O-N 3.09Å; S103-L106 PolarHBondContact O-N 3.41Å
104N67.3Low81.7Confident145 Ų14562.8 Ų62.878%0.77534%0.343SS*.THydrogen-bonded Turntrans-59.2-17.8-174.8-69.7-9.7000113.7T102T102-N104 PolarHBondContact O-N 3.25Å
105G82.4Confident81.9Confident29 Ų2962.5 Ų62.530%0.29934%0.341SS..THydrogen-bonded Turntrans-91.3-4.8176.600000115.6S103 G173 H174S103-G105 PolarHBondContact O-N 3.09Å; G105-G173 WeakPolarHBondContact O-CA 3.42Å; G105-H174 CarbonylContact C-O 3.5Å; G105-H174 WeakPolarHBondContact CA-O 3.5Å; G105-H174 PolarHBondContact O-N 2.96Å
106L89.8Confident82.1Confident13 Ų1362.3 Ų62.37%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-94.8126.5178.2-64.5179.2000111.2V78 A91 S103 I171V78-L106 HydrophobicContact CB-CD2 4.22Å; A91-L106 HydrophobicContact CB-CD1 4Å; S103-L106 PolarHBondContact O-N 3.41Å; L106-I171 HydrophobicContact CB-CG2 4.47Å; L106-I171 HydrophobicContact CD1-CG2 4.46Å
107Q93.1Very high82.7Confident126 Ų12660.8 Ų60.859%0.58934%0.339SS*.EExtended strand (participates in β ladder)trans-106147178.6-58.8-175.926.300110.6I171 H172Q107-I171 WeakPolarHBondContact O-CA 3.44Å; Q107-H172 PolarHBondContact N-O 3.27Å; Q107-H172 PolarHBondContact O-N 2.96Å
108Y93.5Very high83.3Confident68 Ų6862 Ų6227%0.26733%0.332SS..EExtended strand (participates in β ladder)trans-117.1111.3-178.2-64.3-101.2000108.9A91 R170 I171A91-Y108 PolarHBondContact N-OH 3.19Å; A91-Y108 PolarHBondContact O-OH 3.12Å; Y108-R170 WeakPolarHBondContact CA-O 3.2Å; Y108-I171 HydrophobicContact CD1-CD1 4.31Å; Y108-I171 HydrophobicContact CD1-CG1 3.85Å; Y108-I171 HydrophobicContact CE1-CD1 3.9Å; Y108-I171 HydrophobicContact CE1-CG1 3.88Å; Y108-I171 HydrophobicContact CE1-CG2 4.3Å
109E93.9Very high84.3Confident79 Ų7955.9 Ų55.937%0.36930%0.304SS..EExtended strand (participates in β ladder)trans-113.1124.9-178.8-175.5-176.7-169.500110C86 V111 R170 H172C86-E109 VanDerWaalsContact SG-C 3.52Å; C86-E109 PolarHBondContact SG-O 3.04Å; E109-V111 HydrophobicContact CB-CG1 4.49Å; E109-V111 HydrophobicContact CG-CG1 4.04Å; E109-V111 PolarHBondContact O-N 2.96Å; E109-R170 HydrophobicContact CB-CB 4.31Å; E109-R170 PolarHBondContact N-O 3.38Å; E109-R170 PolarHBondContact O-N 3.36Å; E109-R170 IonicContact OE2-NH1 2.57Å; E109-R170 PolarHBondContact OE2-NH1 3.36Å; E109-H172 IonicContact OE2-CE1 3.48Å
110P94.8Very high85.3Confident72 Ų7257.6 Ų57.647%0.46830%0.303SS..EExtended strand (participates in β ladder)trans-72.9122.4176.530.5-33.3000110L166P110-L166 HydrophobicContact CB-CB 4.24Å; P110-L166 HydrophobicContact CB-CD1 3.9Å; P110-L166 HydrophobicContact CG-CD1 4.1Å
111V93.1Very high86.5Confident26 Ų2661.1 Ų61.116%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-134.1171.1-174.9-61.20000111.6T81 E109 N167 A168 R170T81-V111 HydrophobicContact CG2-CG2 3.67Å; E109-V111 HydrophobicContact CB-CG1 4.49Å; E109-V111 HydrophobicContact CG-CG1 4.04Å; E109-V111 PolarHBondContact O-N 2.96Å; V111-N167 PolarHBondContact O-N 2.91Å; V111-A168 HydrophobicContact CG2-CB 3.96Å; V111-A168 PolarHBondContact N-O 3.39Å; V111-A168 CarbonylContact O-C 3.49Å; V111-A168 WeakPolarHBondContact O-CA 3.44Å; V111-A168 WeakPolarHBondContact O-CB 3.4Å; V111-A168 PolarHBondContact O-N 2.86Å; V111-R170 HydrophobicContact CG1-CB 3.85Å; V111-R170 HydrophobicContact CG2-CB 3.84Å
112I93Very high87.5Confident12 Ų1261.7 Ų61.76%0.06232%0.322CS..  trans-87.8132.7168.3-60.2172.8000108.1E114 P162 E164 L166I112-E114 HydrophobicContact CG2-CB 4.29Å; I112-P162 HydrophobicContact CD1-CB 3.64Å; I112-E164 HydrophobicContact CD1-CB 4.27Å; I112-L166 HydrophobicContact CG1-CD2 4.01Å
113F92.5Very high88.8Confident22 Ų2258.2 Ų58.210%0.09630%0.3CS..SBendtrans-63.1-44.3179.5-170.8-107.1000112.1T81 A83 N167 A168 R215 I238T81-F113 HydrophobicContact CG2-CD2 4.21Å; A83-F113 HydrophobicContact CB-CD1 4.47Å; A83-F113 HydrophobicContact CB-CD2 3.65Å; A83-F113 HydrophobicContact CB-CE2 3.9Å; A83-F113 HydrophobicContact CB-CG 3.96Å; A83-F113 HydrophobicContact CB-CZ 4.42Å; F113-N167 PolarHBondContact N-OD1 2.89Å; F113-A168 HydrophobicContact CB-CB 3.81Å; F113-A168 HydrophobicContact CD2-CB 4.15Å; F113-A168 HydrophobicContact CG-CB 4.49Å; F113-R215 PolarHBondContact O-NH1 3.43Å; F113-I238 HydrophobicContact CE1-CD1 3.48Å; F113-I238 VanDerWaalsContact CE1-CD1 3.48Å; F113-I238 HydrophobicContact CZ-CD1 3.76Å
114E91.6Very high90Very high102 Ų10265.1 Ų65.148%0.47732%0.322SS..SBendtrans-68.9130.4-178.2-61.2-157.7170.600112.8I112 R158I112-E114 HydrophobicContact CG2-CB 4.29Å; E114-R158 PolarHBondContact O-NH1 3.18Å
115L91.4Very high91Very high14 Ų1461.6 Ų61.67%0.07331%0.306CS..PPolyproline II helixtrans-74.3144.4175.8-70.1178000112.2Q119 R120 Q123 L155 R215L115-Q119 HydrophobicContact CB-CB 3.98Å; L115-Q119 HydrophobicContact CD2-CB 3.88Å; L115-Q119 HydrophobicContact CG-CB 4.34Å; L115-R120 HydrophobicContact CB-CG 3.62Å; L115-R120 HydrophobicContact CD1-CG 4.32Å; L115-Q123 HydrophobicContact CD1-CB 4.27Å; L115-Q123 HydrophobicContact CD1-CG 4.47Å; L115-L155 HydrophobicContact CD2-CD1 4.36Å; L115-L155 HydrophobicContact CD2-CD2 4.42Å; L115-R215 VanDerWaalsContact CD2-NH1 3.26Å
116S91.3Very high91.2Very high7 Ų760.7 Ų60.75%0.04929%0.294CS..PPolyproline II helixtrans-61.9160.2168.363.10000111.6Q118 Q119 R120 D160S116-Q118 VanDerWaalsContact C-N 3.25Å; S116-Q118 PolarHBondContact O-N 3.3Å; S116-Q119 VanDerWaalsContact N-OE1 3.09Å; S116-Q119 PolarHBondContact O-N 3.11Å; S116-Q119 VanDerWaalsContact O-N 3.13Å; S116-Q119 WeakPolarHBondContact OG-CB 3.29Å; S116-Q119 VanDerWaalsContact OG-CD 3.28Å; S116-Q119 WeakPolarHBondContact OG-CG 3.46Å; S116-Q119 PolarHBondContact OG-N 3.32Å; S116-Q119 PolarHBondContact OG-OE1 3.12Å; S116-R120 PolarHBondContact O-N 2.79Å; S116-D160 WeakPolarHBondContact CB-OD2 3.49Å
117P91.3Very high91Very high105 Ų10564.4 Ų64.468%0.68231%0.307SS*.Hα-helixtrans-54.1-39.6178-27.335.6000113.7R120 L121P117-R120 PolarHBondContact O-N 3.21Å; P117-L121 PolarHBondContact O-N 2.66Å
118Q89.6Confident90.7Very high93 Ų9363.4 Ų63.444%0.43531%0.306SS..Hα-helixtrans-67.8-44.5177-177.8-179.7-5.200112S116 R120 L121 W122S116-Q118 VanDerWaalsContact C-N 3.25Å; S116-Q118 PolarHBondContact O-N 3.3Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.49Å; Q118-L121 WeakPolarHBondContact O-CB 3.27Å; Q118-L121 PolarHBondContact O-N 2.93Å; Q118-W122 PolarHBondContact O-N 3.44Å
119Q90.6Very high90.2Very high13 Ų1363.8 Ų63.86%0.06131%0.312CS..Hα-helixtrans-64.9-37.7176.5-73.2170-39.600111.9L115 S116 L121 W122 Q123 L155 P156L115-Q119 HydrophobicContact CB-CB 3.98Å; L115-Q119 HydrophobicContact CD2-CB 3.88Å; L115-Q119 HydrophobicContact CG-CB 4.34Å; S116-Q119 VanDerWaalsContact N-OE1 3.09Å; S116-Q119 PolarHBondContact O-N 3.11Å; S116-Q119 VanDerWaalsContact O-N 3.13Å; S116-Q119 WeakPolarHBondContact OG-CB 3.29Å; S116-Q119 VanDerWaalsContact OG-CD 3.28Å; S116-Q119 WeakPolarHBondContact OG-CG 3.46Å; S116-Q119 PolarHBondContact OG-N 3.32Å; S116-Q119 PolarHBondContact OG-OE1 3.12Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-W122 PolarHBondContact O-N 2.9Å; Q119-Q123 WeakPolarHBondContact O-CB 3.49Å; Q119-Q123 PolarHBondContact O-N 3.04Å; Q119-L155 HydrophobicContact CB-CD1 4.04Å; Q119-L155 HydrophobicContact CG-CD1 4Å; Q119-L155 HydrophobicContact CG-CG 4.35Å; Q119-P156 HydrophobicContact CG-CG 4.12Å; Q119-P156 PolarHBondContact NE2-O 2.77Å
120R91.7Very high89.5Confident106 Ų10662 Ų6240%0.430%0.303SS..Hα-helixtrans-63.2-39.8172.7-79.9-160.7172.21633.6112.2L115 S116 P117 Q118 Q123 R124L115-R120 HydrophobicContact CB-CG 3.62Å; L115-R120 HydrophobicContact CD1-CG 4.32Å; S116-R120 PolarHBondContact O-N 2.79Å; P117-R120 PolarHBondContact O-N 3.21Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.49Å; R120-Q123 PolarHBondContact O-N 3.17Å; R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.36Å
121L91.1Very high89Confident112 Ų11261.2 Ų61.259%0.58630%0.3SS*.Hα-helixtrans-62.9-47.8175.5-178.166.2000110.7P117 Q118 Q119 Q123 R124 T125P117-L121 PolarHBondContact O-N 2.66Å; Q118-L121 WeakPolarHBondContact O-CB 3.27Å; Q118-L121 PolarHBondContact O-N 2.93Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.39Å; L121-R124 PolarHBondContact O-N 3.25Å; L121-T125 PolarHBondContact O-N 2.75Å; L121-T125 PolarHBondContact O-OG1 2.84Å; L121-T125 VanDerWaalsContact O-OG1 3.04Å
122W88Confident88.5Confident46 Ų4666.6 Ų66.617%0.17432%0.317CS..Hα-helixtrans-56.4-48175.8175.190.7000111.9Q118 Q119 R124 T125 L126 T153 A154 L155 P156Q118-W122 PolarHBondContact O-N 3.44Å; Q119-W122 PolarHBondContact O-N 2.9Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 2.68Å; W122-T125 WeakPolarHBondContact O-CB 3.4Å; W122-T125 PolarHBondContact O-N 3Å; W122-T125 VanDerWaalsContact O-N 3.17Å; W122-L126 HydrophobicContact CH2-CD2 3.59Å; W122-L126 HydrophobicContact CZ2-CD2 3.94Å; W122-L126 HydrophobicContact CZ3-CD2 4.11Å; W122-L126 PolarHBondContact O-N 3.38Å; W122-T153 VanDerWaalsContact CZ2-O 3.27Å; W122-T153 WeakPolarHBondContact CZ2-O 3.41Å; W122-A154 VanDerWaalsContact CZ2-C 3.44Å; W122-A154 WeakPolarHBondContact CZ2-O 3.36Å; W122-A154 PolarHBondContact NE1-O 3.21Å; W122-L155 HydrophobicContact CD2-CD1 4.23Å; W122-L155 HydrophobicContact CE3-CB 4.46Å; W122-L155 HydrophobicContact CE3-CD1 3.38Å; W122-L155 HydrophobicContact CE3-CG 4.49Å; W122-L155 HydrophobicContact CH2-CB 4.03Å; W122-L155 HydrophobicContact CH2-CD1 4.31Å; W122-L155 HydrophobicContact CZ3-CB 3.99Å; W122-L155 HydrophobicContact CZ3-CD1 3.43Å; W122-L155 VanDerWaalsContact CZ3-CD1 3.43Å; W122-L155 HydrophobicContact CZ3-CG 4.33Å; W122-P156 HydrophobicContact CB-CG 4.18Å; W122-P156 HydrophobicContact CG-CG 4.18Å
123Q90.3Very high87.6Confident7 Ų766.9 Ų66.93%0.03332%0.319CS..Hα-helixtrans-62.1-40.3180-170.5-173.335.500112.1L115 Q119 R120 L121 L126 R127 G234L115-Q123 HydrophobicContact CD1-CB 4.27Å; L115-Q123 HydrophobicContact CD1-CG 4.47Å; Q119-Q123 WeakPolarHBondContact O-CB 3.49Å; Q119-Q123 PolarHBondContact O-N 3.04Å; R120-Q123 PolarHBondContact O-N 3.17Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.39Å; Q123-L126 PolarHBondContact O-N 3.42Å; Q123-R127 WeakPolarHBondContact O-CG 3.35Å; Q123-R127 PolarHBondContact O-N 3.42Å; Q123-G234 WeakPolarHBondContact CG-O 3.42Å; Q123-G234 PolarHBondContact NE2-O 3.24Å
124R90.8Very high86.6Confident170 Ų17075.5 Ų75.564%0.64235%0.35SS*.Hα-helixtrans-63.2-43.4175.1-75.8176-177.5172.20.9111.7R120 L121 W122 R127 L128R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.36Å; L121-R124 PolarHBondContact O-N 3.25Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 2.68Å; R124-R127 PolarHBondContact O-N 3.08Å; R124-L128 PolarHBondContact O-N 3.13Å
125T87.9Confident85.8Confident72 Ų7276.8 Ų76.844%0.44236%0.356SS..Hα-helixtrans-63-44.5177.2-56.80000111.1L121 W122 R127 L128 L129L121-T125 PolarHBondContact O-N 2.75Å; L121-T125 PolarHBondContact O-OG1 2.84Å; L121-T125 VanDerWaalsContact O-OG1 3.04Å; W122-T125 WeakPolarHBondContact O-CB 3.4Å; W122-T125 PolarHBondContact O-N 3Å; W122-T125 VanDerWaalsContact O-N 3.17Å; T125-R127 PolarHBondContact O-N 2.98Å; T125-L128 PolarHBondContact O-N 3.3Å; T125-L129 HydrophobicContact CG2-CD1 4.39Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.23Å
126L85.7Confident84.6Confident10 Ų1081.4 Ų81.45%0.05238%0.378CS..Hα-helixtrans-60.7-46178.3-17071.3000111.6W122 Q123 L128 L129 Q130 I229 D233W122-L126 HydrophobicContact CH2-CD2 3.59Å; W122-L126 HydrophobicContact CZ2-CD2 3.94Å; W122-L126 HydrophobicContact CZ3-CD2 4.11Å; W122-L126 PolarHBondContact O-N 3.38Å; Q123-L126 PolarHBondContact O-N 3.42Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.21Å; L126-L129 PolarHBondContact O-N 3.02Å; L126-Q130 WeakPolarHBondContact O-CB 3.37Å; L126-Q130 PolarHBondContact O-N 3.18Å; L126-I229 HydrophobicContact CD1-CD1 4.08Å; L126-I229 HydrophobicContact CD1-CG1 4.38Å; L126-I229 HydrophobicContact CD1-CG2 4.01Å; L126-D233 HydrophobicContact CD2-CB 4.02Å
127R85.8Confident83.1Confident90 Ų9088.5 Ų88.534%0.3441%0.41SS..Hα-helixtrans-61.4-39.3176.5-73.7-178.7-175162.42.5112.9Q123 R124 T125 Q130 S131 G234 E236Q123-R127 WeakPolarHBondContact O-CG 3.35Å; Q123-R127 PolarHBondContact O-N 3.42Å; R124-R127 PolarHBondContact O-N 3.08Å; T125-R127 PolarHBondContact O-N 2.98Å; R127-Q130 PolarHBondContact O-N 3.5Å; R127-S131 PolarHBondContact O-N 3.17Å; R127-S131 PolarHBondContact O-OG 3.36Å; R127-G234 PolarHBondContact NE-O 3.2Å; R127-G234 PolarHBondContact NH2-O 3.33Å; R127-E236 IonicContact NH2-OE2 3.41Å
128L86.5Confident81.4Confident106 Ų10686.7 Ų86.756%0.55540%0.404SS*.Hα-helixtrans-64.2-44.3176.5179.867.1000111.4R124 T125 L126 Q130 S131 R132R124-L128 PolarHBondContact O-N 3.13Å; T125-L128 PolarHBondContact O-N 3.3Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.21Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-S131 PolarHBondContact O-N 3.48Å; L128-S131 PolarHBondContact O-OG 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.38Å; L128-R132 PolarHBondContact O-N 2.95Å
129L82.7Confident79.9Confident75 Ų7585.4 Ų85.439%0.39340%0.399SS..Hα-helixtrans-60.4-46.3175.1-71.6172.4000110.6T125 L126 S131 R132 L133T125-L129 HydrophobicContact CG2-CD1 4.39Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.23Å; L126-L129 PolarHBondContact O-N 3.02Å; L129-S131 PolarHBondContact O-N 3.02Å; L129-R132 PolarHBondContact O-N 2.89Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.76Å
130Q80.9Confident78.4Confident42 Ų4287.9 Ų87.920%0.19641%0.411CS..Hα-helixtrans-62.2-41.7179.5-166.5-171.6-20.400112.7L126 R127 L128 R132 L133 R134 P231L126-Q130 WeakPolarHBondContact O-CB 3.37Å; L126-Q130 PolarHBondContact O-N 3.18Å; R127-Q130 PolarHBondContact O-N 3.5Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-R132 VanDerWaalsContact C-N 3.28Å; Q130-R132 PolarHBondContact O-N 3.17Å; Q130-L133 PolarHBondContact O-N 2.85Å; Q130-R134 PolarHBondContact O-N 3.02Å; Q130-R134 VanDerWaalsContact O-N 3.09Å; Q130-P231 VanDerWaalsContact NE2-C 3.29Å; Q130-P231 PolarHBondContact NE2-O 3.05Å
131S82.8Confident77Confident56 Ų5686.9 Ų86.939%0.39241%0.411SS..Hα-helixtrans-62.4-37.8176.461.30000112R127 L128 L129 R134 E135R127-S131 PolarHBondContact O-N 3.17Å; R127-S131 PolarHBondContact O-OG 3.36Å; L128-S131 PolarHBondContact O-N 3.48Å; L128-S131 PolarHBondContact O-OG 3.44Å; L129-S131 PolarHBondContact O-N 3.02Å; S131-R134 PolarHBondContact O-N 3.47Å; S131-E135 PolarHBondContact O-N 2.88Å
132R82.1Confident75.4Confident139 Ų13985.6 Ų85.653%0.52541%0.408SS..Hα-helixtrans-71.4-40.5177.3-68.2-56.9-168.5-177.65.5112.7L128 L129 Q130 R134 E135 E136L128-R132 WeakPolarHBondContact O-CG 3.38Å; L128-R132 PolarHBondContact O-N 2.95Å; L129-R132 PolarHBondContact O-N 2.89Å; Q130-R132 VanDerWaalsContact C-N 3.28Å; Q130-R132 PolarHBondContact O-N 3.17Å; R132-R134 PolarHBondContact O-N 3.39Å; R132-E135 IonicContact CZ-OE2 3.95Å; R132-E135 IonicContact NH1-OE2 3.65Å; R132-E135 PolarHBondContact NH1-OE2 3.29Å; R132-E135 PolarHBondContact O-N 3.02Å; R132-E136 PolarHBondContact O-N 3.14Å
133L75.3Confident73.9Confident17 Ų1785.2 Ų85.29%0.08941%0.409CS..Hα-helixtrans-60.7-34175.4-73.8164.7000112.5L129 Q130 E136 L139 L143 I229L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.76Å; Q130-L133 PolarHBondContact O-N 2.85Å; L133-E136 CarbonylContact O-C 3.53Å; L133-L139 HydrophobicContact CD2-CB 3.9Å; L133-L143 HydrophobicContact CD1-CD2 3.57Å; L133-L143 HydrophobicContact CD2-CB 4.46Å; L133-L143 HydrophobicContact CD2-CD1 4.15Å; L133-L143 HydrophobicContact CD2-CD2 3.84Å; L133-L143 HydrophobicContact CD2-CG 4.37Å; L133-L143 HydrophobicContact CG-CD2 4.29Å; L133-I229 HydrophobicContact CD1-CD1 4.22Å
134R71.3Confident72.5Confident203 Ų20385.5 Ų85.577%0.76641%0.41SS*.Hα-helixtrans-72.1-32.5177.3-168175.7-175.8163.33.1113.1Q130 S131 R132Q130-R134 PolarHBondContact O-N 3.02Å; Q130-R134 VanDerWaalsContact O-N 3.09Å; S131-R134 PolarHBondContact O-N 3.47Å; R132-R134 PolarHBondContact O-N 3.39Å
135E74.4Confident71.1Confident129 Ų12980.7 Ų80.760%0.60339%0.393SS*.Hα-helixtrans-75.7-41176-72.1178.8163.400111.4S131 R132S131-E135 PolarHBondContact O-N 2.88Å; R132-E135 IonicContact CZ-OE2 3.95Å; R132-E135 IonicContact NH1-OE2 3.65Å; R132-E135 PolarHBondContact NH1-OE2 3.29Å; R132-E135 PolarHBondContact O-N 3.02Å
136E66.9Low69.7Low111 Ų11181.4 Ų81.452%0.51940%0.398SS..  trans-118.585.3-171.3-69.5-87.5167.800110.1R132 L133 A138 L139R132-E136 PolarHBondContact O-N 3.14Å; L133-E136 CarbonylContact O-C 3.53Å; E136-A138 PolarHBondContact O-N 3.35Å; E136-L139 HydrophobicContact CB-CB 4.39Å; E136-L139 HydrophobicContact CB-CD1 3.57Å; E136-L139 HydrophobicContact CB-CG 3.67Å; E136-L139 HydrophobicContact CG-CD1 4.21Å; E136-L139 WeakPolarHBondContact O-CB 3.38Å; E136-L139 PolarHBondContact O-N 3.4Å
137H59.6Low68.2Low157 Ų15782 Ų8273%0.72740%0.401SS*.THydrogen-bonded Turntrans-56.5-24.2177.6-74-94.6000113.4L139 Q140H137-L139 VanDerWaalsContact C-N 3.25Å; H137-L139 PolarHBondContact O-N 3.09Å; H137-Q140 PolarHBondContact O-N 3.44Å
138A56.6Low66.8Low67 Ų6780.4 Ų80.455%0.55440%0.399SS*.THydrogen-bonded Turntrans-68.7-19.2175.500000113.6E136 Q140E136-A138 PolarHBondContact O-N 3.35Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.33Å
139L56.8Low65.3Low65 Ų6584 Ų8434%0.3441%0.41SS..Hα-helixtrans-73.6-20179.4-71177.5000113.1L133 E136 H137 E141 V142 L143L133-L139 HydrophobicContact CD2-CB 3.9Å; E136-L139 HydrophobicContact CB-CB 4.39Å; E136-L139 HydrophobicContact CB-CD1 3.57Å; E136-L139 HydrophobicContact CB-CG 3.67Å; E136-L139 HydrophobicContact CG-CD1 4.21Å; E136-L139 WeakPolarHBondContact O-CB 3.38Å; E136-L139 PolarHBondContact O-N 3.4Å; H137-L139 VanDerWaalsContact C-N 3.25Å; H137-L139 PolarHBondContact O-N 3.09Å; L139-E141 PolarHBondContact O-N 3.48Å; L139-V142 PolarHBondContact O-N 2.68Å; L139-V142 VanDerWaalsContact O-N 3.16Å; L139-L143 WeakPolarHBondContact O-CB 3.26Å; L139-L143 PolarHBondContact O-N 3.05Å
140Q59.7Low63.8Low66 Ų6683.4 Ų83.431%0.30842%0.422SS..Hα-helixtrans-57.5-38.4178.3-159.7117-3100110.9H137 A138 L143 Y144H137-Q140 PolarHBondContact O-N 3.44Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.33Å; Q140-L143 PolarHBondContact O-N 3.4Å; Q140-Y144 HydrophobicContact CG-CD2 4.17Å; Q140-Y144 HydrophobicContact CG-CE2 4.07Å; Q140-Y144 WeakPolarHBondContact O-CD2 3.47Å; Q140-Y144 PolarHBondContact O-N 3.04Å
141E60.9Low62.7Low84 Ų8484 Ų8439%0.39343%0.434SS..Hα-helixtrans-64.9-41.8178-65.5-175.8-179.900112.8M60 Y62 L139 L143 K145M60-E141 HydrophobicContact CB-CG 4.47Å; Y62-E141 HydrophobicContact CE2-CG 4.05Å; Y62-E141 WeakPolarHBondContact CE2-OE1 3.04Å; L139-E141 PolarHBondContact O-N 3.48Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-K145 PolarHBondContact O-N 3.43Å
142V57.7Low61.6Low86 Ų8686.5 Ų86.552%0.52145%0.449SS..Hα-helixtrans-69.1-36.2177.1-1790000110.6L139 K145 T146L139-V142 PolarHBondContact O-N 2.68Å; L139-V142 VanDerWaalsContact O-N 3.16Å; V142-K145 PolarHBondContact O-N 3.25Å; V142-T146 WeakPolarHBondContact O-CB 3.47Å; V142-T146 PolarHBondContact O-N 2.92Å; V142-T146 VanDerWaalsContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 2.97Å
143L58Low61.1Low37 Ų3781.3 Ų81.319%0.19443%0.432CS..Hα-helixtrans-68.7-44.2179.9-134.882.7000111.7L133 L139 Q140 E141 K145 T146 L147 I229L133-L143 HydrophobicContact CD1-CD2 3.57Å; L133-L143 HydrophobicContact CD2-CB 4.46Å; L133-L143 HydrophobicContact CD2-CD1 4.15Å; L133-L143 HydrophobicContact CD2-CD2 3.84Å; L133-L143 HydrophobicContact CD2-CG 4.37Å; L133-L143 HydrophobicContact CG-CD2 4.29Å; L139-L143 WeakPolarHBondContact O-CB 3.26Å; L139-L143 PolarHBondContact O-N 3.05Å; Q140-L143 PolarHBondContact O-N 3.4Å; E141-L143 VanDerWaalsContact C-N 3.32Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.25Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 VanDerWaalsContact O-N 3.14Å; L143-L147 HydrophobicContact CB-CD1 4.26Å; L143-L147 HydrophobicContact CD1-CD1 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.22Å; L143-L147 HydrophobicContact CD2-CG 4.32Å; L143-L147 HydrophobicContact CG-CD1 3.34Å; L143-L147 HydrophobicContact CG-CG 3.95Å; L143-L147 VanDerWaalsContact O-CB 3.26Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 PolarHBondContact O-N 3.16Å; L143-I229 HydrophobicContact CD2-CD1 3.9Å; L143-I229 HydrophobicContact CD2-CG1 4.4Å
144Y61Low61.2Low13 Ų1383.6 Ų83.65%0.05145%0.454CS..Hα-helixtrans-55.7-46.1174.8-95.9-81.6000111.1Q140 T146 L148 I228 L257Q140-Y144 HydrophobicContact CG-CD2 4.17Å; Q140-Y144 HydrophobicContact CG-CE2 4.07Å; Q140-Y144 WeakPolarHBondContact O-CD2 3.47Å; Q140-Y144 PolarHBondContact O-N 3.04Å; Y144-T146 VanDerWaalsContact C-N 3.34Å; Y144-T146 PolarHBondContact O-N 3.32Å; Y144-L148 VanDerWaalsContact O-CB 3.26Å; Y144-L148 WeakPolarHBondContact O-CB 3.37Å; Y144-L148 VanDerWaalsContact O-CD1 3.22Å; Y144-L148 WeakPolarHBondContact O-CD1 3.14Å; Y144-L148 WeakPolarHBondContact O-CG 3.22Å; Y144-L148 PolarHBondContact O-N 3.48Å; Y144-I228 HydrophobicContact CE1-CD1 4.46Å; Y144-I228 HydrophobicContact CE1-CG1 4.18Å; Y144-I228 WeakPolarHBondContact OH-CD1 3.18Å; Y144-L257 HydrophobicContact CD1-CD1 4.4Å; Y144-L257 HydrophobicContact CE1-CD1 3.93Å; Y144-L257 HydrophobicContact CE1-CD2 4.39Å
145K60.2Low61.8Low69 Ų6975.8 Ų75.830%0.343%0.427SS..Hα-helixtrans-67.9-28.6178.6-78.9-175.8174.5179.90114.5D57 T58 E141 V142 L143D57-K145 IonicContact OD1-NZ 2.9Å; D57-K145 PolarHBondContact OD1-NZ 2.99Å; D57-K145 IonicContact OD2-NZ 2.66Å; T58-K145 WeakPolarHBondContact O-CE 3.26Å; T58-K145 PolarHBondContact O-NZ 2.9Å; E141-K145 PolarHBondContact O-N 3.43Å; V142-K145 PolarHBondContact O-N 3.25Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.25Å
146T58.3Low62.3Low87 Ų8770.8 Ų70.853%0.53441%0.406SS..Hα-helixtrans-96.4-39.8-173.6-50.60000112.3V142 L143 Y144 K149V142-T146 WeakPolarHBondContact O-CB 3.47Å; V142-T146 PolarHBondContact O-N 2.92Å; V142-T146 VanDerWaalsContact O-N 3.09Å; V142-T146 PolarHBondContact O-OG1 2.97Å; L143-T146 PolarHBondContact O-N 3.46Å; L143-T146 VanDerWaalsContact O-N 3.14Å; Y144-T146 VanDerWaalsContact C-N 3.34Å; Y144-T146 PolarHBondContact O-N 3.32Å; T146-K149 WeakPolarHBondContact O-CB 3.44Å; T146-K149 PolarHBondContact O-N 2.98Å
147L55.7Low63.2Low23 Ų2370.7 Ų70.712%0.1242%0.415CS..Hα-helixtrans-75.8-29.5179.5-76.6172000113L143 K149 G150 A151 T153 G227 I229L143-L147 HydrophobicContact CB-CD1 4.26Å; L143-L147 HydrophobicContact CD1-CD1 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.22Å; L143-L147 HydrophobicContact CD2-CG 4.32Å; L143-L147 HydrophobicContact CG-CD1 3.34Å; L143-L147 HydrophobicContact CG-CG 3.95Å; L143-L147 VanDerWaalsContact O-CB 3.26Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 PolarHBondContact O-N 3.16Å; L147-K149 PolarHBondContact O-N 2.89Å; L147-G150 PolarHBondContact O-N 3.38Å; L147-A151 HydrophobicContact CD2-CB 3.92Å; L147-T153 HydrophobicContact CD2-CG2 4.41Å; L147-G227 WeakPolarHBondContact CD1-O 3.39Å; L147-I229 HydrophobicContact CD1-CD1 4.07Å; L147-I229 HydrophobicContact CD1-CG1 4.16Å
148L55.6Low64.3Low56 Ų5667.7 Ų67.729%0.29340%0.397SS..THydrogen-bonded Turntrans-60.9-12.5168.1-75.2171.7000112.7Y144 V225 P226 I262Y144-L148 VanDerWaalsContact O-CB 3.26Å; Y144-L148 WeakPolarHBondContact O-CB 3.37Å; Y144-L148 VanDerWaalsContact O-CD1 3.22Å; Y144-L148 WeakPolarHBondContact O-CD1 3.14Å; Y144-L148 WeakPolarHBondContact O-CG 3.22Å; Y144-L148 PolarHBondContact O-N 3.48Å; L148-V225 HydrophobicContact CD2-CG1 4.34Å; L148-P226 HydrophobicContact CD2-CG 4.34Å; L148-P226 WeakPolarHBondContact CD2-O 3.32Å; L148-I262 HydrophobicContact CD2-CD1 3.73Å
149K56Low65.4Low183 Ų18371.7 Ų71.780%0.79641%0.405SS*.THydrogen-bonded Turntrans-91.810.8174-63.4179.1-179.9173.40114.4T146 L147T146-K149 WeakPolarHBondContact O-CB 3.44Å; T146-K149 PolarHBondContact O-N 2.98Å; L147-K149 PolarHBondContact O-N 2.89Å
150G49.8Very low66.4Low62 Ų6272.7 Ų72.764%0.63941%0.41SS*.THydrogen-bonded Turntrans109.530.9154.900000118L147 P152L147-G150 PolarHBondContact O-N 3.38Å; G150-P152 WeakPolarHBondContact O-CD 3.41Å
151A57.5Low67.1Low55 Ų5572.9 Ų72.946%0.45542%0.423SS..  trans-85.3120.8164.800000109.7L147 T153L147-A151 HydrophobicContact CD2-CB 3.92Å; A151-T153 PolarHBondContact O-N 3.15Å
152P60.9Low67.8Low107 Ų10773.1 Ų73.170%0.69543%0.432SS*.  trans-67.5120.217725.3-30.6000110G150 A154G150-P152 WeakPolarHBondContact O-CD 3.41Å; P152-A154 PolarHBondContact O-N 3.03Å
153T70Confident68.7Low30 Ų3076.7 Ų76.718%0.18445%0.448CS..  trans-80.51.6169.850.70000112.4W122 L147 A151 I229W122-T153 VanDerWaalsContact CZ2-O 3.27Å; W122-T153 WeakPolarHBondContact CZ2-O 3.41Å; L147-T153 HydrophobicContact CD2-CG2 4.41Å; A151-T153 PolarHBondContact O-N 3.15Å; T153-I229 HydrophobicContact CG2-CG1 3.88Å
154A78.5Confident69.8Low66 Ų6679.4 Ų79.455%0.54546%0.46SS..SBendtrans-84.5147.7175.800000111.3W122 P152W122-A154 VanDerWaalsContact CZ2-C 3.44Å; W122-A154 WeakPolarHBondContact CZ2-O 3.36Å; W122-A154 PolarHBondContact NE1-O 3.21Å; P152-A154 PolarHBondContact O-N 3.03Å
155L83.6Confident71Confident38 Ų3884 Ų8420%0.19949%0.491CS..PPolyproline II helixtrans-58.6127.5172.2-178.475.7000109.5L115 Q119 W122L115-L155 HydrophobicContact CD2-CD1 4.36Å; L115-L155 HydrophobicContact CD2-CD2 4.42Å; Q119-L155 HydrophobicContact CB-CD1 4.04Å; Q119-L155 HydrophobicContact CG-CD1 4Å; Q119-L155 HydrophobicContact CG-CG 4.35Å; W122-L155 HydrophobicContact CD2-CD1 4.23Å; W122-L155 HydrophobicContact CE3-CB 4.46Å; W122-L155 HydrophobicContact CE3-CD1 3.38Å; W122-L155 HydrophobicContact CE3-CG 4.49Å; W122-L155 HydrophobicContact CH2-CB 4.03Å; W122-L155 HydrophobicContact CH2-CD1 4.31Å; W122-L155 HydrophobicContact CZ3-CB 3.99Å; W122-L155 HydrophobicContact CZ3-CD1 3.43Å; W122-L155 VanDerWaalsContact CZ3-CD1 3.43Å; W122-L155 HydrophobicContact CZ3-CG 4.33Å
156P84.6Confident72.5Confident25 Ų2584.5 Ų84.516%0.16250%0.497CS..PPolyproline II helixtrans-62.8146.2176.623.8-33000111.3Q119 W122Q119-P156 HydrophobicContact CG-CG 4.12Å; Q119-P156 PolarHBondContact NE2-O 2.77Å; W122-P156 HydrophobicContact CB-CG 4.18Å; W122-P156 HydrophobicContact CG-CG 4.18Å
157P85.4Confident74Confident109 Ų10983.5 Ų83.571%0.70849%0.488SS*.PPolyproline II helixtrans-60.9149.717727.8-34.4000110.3E159P157-E159 PolarHBondContact O-N 3.4Å
158R83.5Confident75.9Confident94 Ų9482.5 Ų82.536%0.35548%0.483SS..PPolyproline II helixtrans-75.3125.2176.8-171.8179.1-173.4125.61.4109.3E114 D160E114-R158 PolarHBondContact O-NH1 3.18Å; R158-D160 HydrophobicContact CG-CB 4.47Å
159E78.8Confident77.7Confident151 Ų15179.8 Ų79.871%0.70647%0.469SS*.  trans-88-26.3177-62.3-177.6-179.700112.3P157P157-E159 PolarHBondContact O-N 3.4Å
160D78.8Confident79.6Confident86 Ų8674.5 Ų74.546%0.4644%0.444SS..SBendtrans-79.3136.3-175.8-57.7-42.7000112.8S116 R158S116-D160 WeakPolarHBondContact CB-OD2 3.49Å; R158-D160 HydrophobicContact CG-CB 4.47Å
161A75.1Confident81.8Confident70 Ų7071.6 Ų71.658%0.57941%0.414SS*.  trans-63.5146169.600000111.3N163A161-N163 PolarHBondContact O-N 3.19Å
162P75.8Confident83.6Confident88 Ų8871 Ų7157%0.57140%0.401SS*.  trans-69101.5178.626.4-31.9000110.5I112 E164I112-P162 HydrophobicContact CD1-CB 3.64Å; P162-E164 VanDerWaalsContact C-N 3.27Å
163N76.4Confident85.1Confident161 Ų16166.9 Ų66.986%0.86138%0.379SS*.  trans-78.8-14.7170.4-75.2-15000112.5A161A161-N163 PolarHBondContact O-N 3.19Å
164E80.3Confident86.2Confident95 Ų9569.1 Ų69.144%0.44439%0.387SS..SBendtrans-118.3154-175.8-69.5-176.6178.600111.1I112 P162I112-E164 HydrophobicContact CD1-CB 4.27Å; P162-E164 VanDerWaalsContact C-N 3.27Å
165P86.1Confident86.8Confident109 Ų10966.4 Ų66.471%0.70836%0.364SS*.  trans-63.2140.8175.327.4-34.8000111.2N167P165-N167 PolarHBondContact O-N 3.45Å
166L90.8Very high87.2Confident80 Ų8070.7 Ų70.742%0.41938%0.379SS..  trans-62.2102.2174.9-54.9171.7000109.4P110 I112P110-L166 HydrophobicContact CB-CB 4.24Å; P110-L166 HydrophobicContact CB-CD1 3.9Å; P110-L166 HydrophobicContact CG-CD1 4.1Å; I112-L166 HydrophobicContact CG1-CD2 4.01Å
167N91.1Very high87.4Confident66 Ų6669.5 Ų69.535%0.35337%0.371SS..  trans-108-1.3-172.862.9-7.5000113.4A83 M84 V111 F113 P165A83-N167 CarbonylContact C-O 3.58Å; M84-N167 CarbonylContact C-O 3.56Å; M84-N167 PolarHBondContact N-O 3.09Å; V111-N167 PolarHBondContact O-N 2.91Å; F113-N167 PolarHBondContact N-OD1 2.89Å; P165-N167 PolarHBondContact O-N 3.45Å
168A94.4Very high87.6Confident1 Ų166.7 Ų66.71%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-128.9167.7-179.900000112.4T81 V82 M84 V111 F113T81-A168 HydrophobicContact CG2-CB 3.9Å; V82-A168 CarbonylContact O-C 3.56Å; V82-A168 WeakPolarHBondContact O-CA 3.38Å; V82-A168 WeakPolarHBondContact O-CB 3.33Å; M84-A168 CarbonylContact O-C 3.53Å; M84-A168 WeakPolarHBondContact O-CA 3.49Å; V111-A168 HydrophobicContact CG2-CB 3.96Å; V111-A168 PolarHBondContact N-O 3.39Å; V111-A168 CarbonylContact O-C 3.49Å; V111-A168 WeakPolarHBondContact O-CA 3.44Å; V111-A168 WeakPolarHBondContact O-CB 3.4Å; V111-A168 PolarHBondContact O-N 2.86Å; F113-A168 HydrophobicContact CB-CB 3.81Å; F113-A168 HydrophobicContact CD2-CB 4.15Å; F113-A168 HydrophobicContact CG-CB 4.49Å
169C95.2Very high87.9Confident0 Ų063.3 Ų63.30%034%0.338CS..EExtended strand (participates in β ladder)trans-127.1123.5174.4-166.10000109.9T81 V82 M84 C86 V89T81-C169 CarbonylContact C-O 3.53Å; T81-C169 WeakPolarHBondContact CA-O 3.46Å; V82-C169 PolarHBondContact N-O 3.25Å; V82-C169 PolarHBondContact O-N 3.34Å; M84-C169 VanDerWaalsContact O-CB 3.3Å; M84-C169 WeakPolarHBondContact O-CB 3.5Å; M84-C169 PolarHBondContact O-N 3.36Å; C86-C169 WeakPolarHBondContact CA-SG 3.5Å; C86-C169 HydrophobicContact CB-CB 3.91Å; C86-C169 WeakPolarHBondContact CB-SG 3.23Å; C86-C169 WeakPolarHBondContact SG-CA 3.48Å; C86-C169 WeakPolarHBondContact SG-CB 3.36Å; C86-C169 CovalentContact SG-SG 2.04Å; C86-C169 PolarHBondContact SG-SG 3.4Å; V89-C169 HydrophobicContact CG1-CB 3.74Å
170R95.9Very high88.5Confident72 Ų7258.9 Ų58.927%0.27232%0.321SS..EExtended strand (participates in β ladder)trans-90.6115.9170.9-178.2-175.6-179.5-161.85.2109D79 Y108 E109 V111 H172D79-R170 WeakPolarHBondContact OD1-CG 3.37Å; D79-R170 IonicContact OD1-CZ 3.57Å; D79-R170 IonicContact OD1-NE 3.28Å; D79-R170 PolarHBondContact OD1-NE 2.91Å; D79-R170 IonicContact OD1-NH2 2.69Å; D79-R170 IonicContact OD2-CZ 3.31Å; D79-R170 IonicContact OD2-NE 3.25Å; D79-R170 PolarHBondContact OD2-NE 3.48Å; D79-R170 IonicContact OD2-NH2 3.58Å; D79-R170 PolarHBondContact OD2-NH2 3.43Å; Y108-R170 WeakPolarHBondContact CA-O 3.2Å; E109-R170 HydrophobicContact CB-CB 4.31Å; E109-R170 PolarHBondContact N-O 3.38Å; E109-R170 PolarHBondContact O-N 3.36Å; E109-R170 IonicContact OE2-NH1 2.57Å; E109-R170 PolarHBondContact OE2-NH1 3.36Å; V111-R170 HydrophobicContact CG1-CB 3.85Å; V111-R170 HydrophobicContact CG2-CB 3.84Å; R170-H172 HydrophobicContact CG-CB 4.39Å
171I95.4Very high89.1Confident1 Ų156 Ų561%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-101.1105.7177-53.3175.8000106.3D79 V80 V82 V89 A91 L106 Q107 Y108 I186D79-I171 WeakPolarHBondContact CA-O 3.38Å; V80-I171 PolarHBondContact N-O 3.12Å; V80-I171 PolarHBondContact O-N 2.94Å; V82-I171 HydrophobicContact CG2-CD1 4.48Å; V89-I171 HydrophobicContact CG1-CD1 4.43Å; V89-I171 HydrophobicContact CG2-CD1 4.15Å; A91-I171 HydrophobicContact CB-CD1 4.25Å; A91-I171 HydrophobicContact CB-CG2 4.03Å; L106-I171 HydrophobicContact CB-CG2 4.47Å; L106-I171 HydrophobicContact CD1-CG2 4.46Å; Q107-I171 WeakPolarHBondContact O-CA 3.44Å; Y108-I171 HydrophobicContact CD1-CD1 4.31Å; Y108-I171 HydrophobicContact CD1-CG1 3.85Å; Y108-I171 HydrophobicContact CE1-CD1 3.9Å; Y108-I171 HydrophobicContact CE1-CG1 3.88Å; Y108-I171 HydrophobicContact CE1-CG2 4.3Å; I171-I186 HydrophobicContact CD1-CD1 4.36Å; I171-I186 HydrophobicContact CD1-CG2 3.77Å
172H94.8Very high90Very high42 Ų4253.2 Ų53.219%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-134151.5-175.970.7-79.6000112.8V78 D79 Q107 E109 R170V78-H172 CarbonylContact O-C 3.59Å; V78-H172 WeakPolarHBondContact O-CA 3.48Å; D79-H172 HydrophobicContact CB-CB 4.23Å; Q107-H172 PolarHBondContact N-O 3.27Å; Q107-H172 PolarHBondContact O-N 2.96Å; E109-H172 IonicContact OE2-CE1 3.48Å; R170-H172 HydrophobicContact CG-CB 4.39Å
173G93.4Very high90.7Very high21 Ų2150.8 Ų50.822%0.21627%0.269CS..EExtended strand (participates in β ladder)trans142.3-159.2177.800000112.2V78 G105V78-G173 PolarHBondContact N-O 3.39Å; V78-G173 PolarHBondContact O-N 3.44Å; G105-G173 WeakPolarHBondContact O-CA 3.42Å
174H92.7Very high91.5Very high77 Ų7743.3 Ų43.336%0.35623%0.229SC..EExtended strand (participates in β ladder)trans-138.1149.5179.161.6-84.8000111.5R75 I76 N77 G105 Y176R75-H174 HydrophobicContact CG-CB 4.32Å; I76-H174 CarbonylContact O-C 3.58Å; I76-H174 WeakPolarHBondContact O-CA 3.27Å; N77-H174 WeakPolarHBondContact OD1-CB 3.45Å; G105-H174 CarbonylContact C-O 3.5Å; G105-H174 WeakPolarHBondContact CA-O 3.5Å; G105-H174 PolarHBondContact O-N 2.96Å; H174-Y176 AromaticContact CD2-CE2 3.82Å
175A91.2Very high92.1Very high9 Ų939.3 Ų39.37%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-133.1141.2175.700000110.2R75 I76 I93R75-A175 CarbonylContact C-O 3.55Å; R75-A175 WeakPolarHBondContact CA-O 3.46Å; I76-A175 PolarHBondContact N-O 3.18Å; I76-A175 PolarHBondContact O-N 2.93Å; I93-A175 HydrophobicContact CD1-CB 3.59Å
176Y90.9Very high92.4Very high128 Ų12834.3 Ų34.350%0.50218%0.177SC..EExtended strand (participates in β ladder)trans-96.7119.7173.3-71.6-84.7000109.3K73 R75 I101 H174K73-Y176 HydrophobicContact CB-CD1 4.22Å; R75-Y176 HydrophobicContact CB-CD1 4.08Å; R75-Y176 HydrophobicContact CB-CE1 3.87Å; R75-Y176 HydrophobicContact CG-CE1 4.2Å; I101-Y176 WeakPolarHBondContact CG2-O 3.37Å; H174-Y176 AromaticContact CD2-CE2 3.82Å
177V90.3Very high92.4Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-119163.7-178.2-550000111.2K73 L74 I76 I93 I101 Y294K73-V177 CarbonylContact C-O 3.59Å; K73-V177 VanDerWaalsContact CA-O 3.29Å; K73-V177 WeakPolarHBondContact CA-O 3.33Å; L74-V177 HydrophobicContact CB-CG2 3.89Å; L74-V177 HydrophobicContact CD2-CG2 4.33Å; L74-V177 HydrophobicContact CG-CG2 4.31Å; L74-V177 PolarHBondContact N-O 3.43Å; L74-V177 WeakPolarHBondContact O-CG2 3.32Å; L74-V177 PolarHBondContact O-N 3.47Å; I76-V177 HydrophobicContact CD1-CG1 4Å; I76-V177 HydrophobicContact CD1-CG2 3.68Å; I76-V177 HydrophobicContact CG1-CG2 3.95Å; I93-V177 HydrophobicContact CD1-CG1 4.31Å; I93-V177 HydrophobicContact CG2-CG1 3.82Å; I101-V177 HydrophobicContact CD1-CB 3.83Å; I101-V177 HydrophobicContact CD1-CG1 4.04Å; V177-Y294 HydrophobicContact CG2-CE2 4.34Å
178N89.3Confident92.3Very high50 Ų5027.9 Ų27.927%0.26714%0.144SC..EExtended strand (participates in β ladder)trans-63.2142.5167.6-68.8-38.7000109.7K73 D95 V180K73-N178 PolarHBondContact NZ-OD1 2.98Å; D95-N178 PolarHBondContact OD2-ND2 3.48Å; N178-V180 HydrophobicContact CB-CG2 3.74Å; N178-V180 PolarHBondContact O-N 3.34Å
179K89.9Confident91.8Very high23 Ų2328 Ų2810%0.115%0.145CC..SBendtrans-77.464.8176-168.9178.8179.1177.70110.9D67 D69 S72 L74 T296D67-K179 IonicContact OD1-NZ 2.69Å; D67-K179 PolarHBondContact OD1-NZ 3.05Å; D67-K179 WeakPolarHBondContact OD2-CE 3.33Å; D67-K179 IonicContact OD2-NZ 3.79Å; D67-K179 PolarHBondContact OD2-NZ 2.97Å; D69-K179 WeakPolarHBondContact O-CD 3.4Å; D69-K179 PolarHBondContact O-NZ 3.49Å; S72-K179 WeakPolarHBondContact O-CB 3.08Å; L74-K179 HydrophobicContact CB-CB 4.45Å; K179-T296 HydrophobicContact CG-CG2 3.97Å
180V90.2Very high90.9Very high58 Ų5834.3 Ų34.335%0.35217%0.173SC..SBendtrans-140.3168.2179.6-62.90000108.6D95 N178 G182 Y294D95-V180 HydrophobicContact CB-CG2 3.9Å; N178-V180 HydrophobicContact CB-CG2 3.74Å; N178-V180 PolarHBondContact O-N 3.34Å; V180-G182 PolarHBondContact O-N 2.8Å; V180-Y294 WeakPolarHBondContact O-CE2 3.43Å
181A92.7Very high89.8Confident26 Ų2632.2 Ų32.222%0.21517%0.168CC..  trans-55.6139.1171.700000111.1L96 Y294 D295L96-A181 WeakPolarHBondContact CB-O 3.25Å; L96-A181 HydrophobicContact CD1-CB 4.03Å; L96-A181 PolarHBondContact N-O 2.84Å; A181-Y294 CarbonylContact C-O 3.47Å; A181-Y294 VanDerWaalsContact CA-O 3.28Å; A181-Y294 WeakPolarHBondContact CA-O 3.42Å; A181-D295 HydrophobicContact CB-CB 4.45Å
182G92.6Very high88.4Confident10 Ų1035.8 Ų35.810%0.10319%0.187CC..EExtended strand (participates in β ladder)trans-155.6176.6-178.800000113.1L94 V180 K293 Y294L94-G182 CarbonylContact O-C 3.24Å; L94-G182 WeakPolarHBondContact O-CA 3.44Å; V180-G182 PolarHBondContact O-N 2.8Å; G182-K293 WeakPolarHBondContact O-CA 3.31Å; G182-Y294 PolarHBondContact N-O 2.87Å; G182-Y294 PolarHBondContact O-N 3.48Å
183N92.1Very high86.7Confident37 Ų3739.9 Ų39.920%0.19821%0.206CC..EExtended strand (participates in β ladder)trans-141.6102.4-173.6-17728.9000110L94 H185 V292 K293L94-N183 PolarHBondContact N-O 2.95Å; L94-N183 VanDerWaalsContact N-O 3.11Å; L94-N183 PolarHBondContact O-N 2.88Å; N183-H185 PolarHBondContact O-ND1 3.43Å; N183-V292 WeakPolarHBondContact CA-O 3.46Å; N183-K293 HydrophobicContact CB-CG 4.46Å
184L92.9Very high84.9Confident4 Ų444.2 Ų44.22%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-79.3119.3164.9163.467.5000107.5V78 A91 D92 I93 V292V78-L184 HydrophobicContact CG1-CD2 4.34Å; V78-L184 HydrophobicContact CG2-CD2 3.84Å; A91-L184 HydrophobicContact CB-CD1 4.37Å; D92-L184 CarbonylContact O-C 3.47Å; D92-L184 WeakPolarHBondContact O-CA 3.46Å; I93-L184 HydrophobicContact CD1-CD1 4.28Å; I93-L184 HydrophobicContact CG1-CB 4.15Å; I93-L184 HydrophobicContact CG1-CD1 3.6Å; I93-L184 HydrophobicContact CG1-CG 4.44Å; L184-V292 HydrophobicContact CB-CB 4.11Å; L184-V292 HydrophobicContact CD2-CB 4.29Å; L184-V292 HydrophobicContact CD2-CG2 4.4Å; L184-V292 HydrophobicContact CG-CB 4.37Å; L184-V292 PolarHBondContact N-O 3.48Å; L184-V292 PolarHBondContact O-N 3.24Å
185H91.3Very high82.9Confident12 Ų1246.6 Ų46.66%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-127137179.560.7-79.5000111A91 D92 L94 N183 H200 I290 F291A91-H185 WeakPolarHBondContact CA-O 3.27Å; D92-H185 PolarHBondContact N-O 3.49Å; D92-H185 PolarHBondContact O-N 3.48Å; D92-H185 PolarHBondContact O-ND1 3.02Å; D92-H185 IonicContact OD2-CE1 3.3Å; L94-H185 VanDerWaalsContact CD1-CE1 3.43Å; L94-H185 WeakPolarHBondContact CD1-CE1 3.34Å; N183-H185 PolarHBondContact O-ND1 3.43Å; H185-H200 AromaticContact CD2-CE1 3.86Å; H185-H200 AromaticContact CD2-NE2 3.33Å; H185-H200 PolarHBondContact CD2-NE2 2.98Å; H185-H200 VanDerWaalsContact CD2-NE2 3.33Å; H185-H200 AromaticContact NE2-CE1 3.68Å; H185-H200 AromaticContact NE2-NE2 3.1Å; H185-H200 PolarHBondContact NE2-NE2 3Å; H185-I290 CarbonylContact C-O 3.59Å; H185-I290 WeakPolarHBondContact CA-O 3.41Å; H185-F291 HydrophobicContact CB-CD1 3.4Å; H185-F291 VanDerWaalsContact CB-CD1 3.4Å; H185-F291 HydrophobicContact CB-CE1 3.63Å; H185-F291 HydrophobicContact CB-CG 4.34Å
186I93.4Very high81.2Confident3 Ų354.9 Ų54.92%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-117.3112.3178.9-51170.9000106.8V80 V82 V89 G90 A91 I171 G289 I290V80-I186 HydrophobicContact CB-CD1 4.4Å; V80-I186 HydrophobicContact CG1-CD1 4.09Å; V82-I186 HydrophobicContact CG2-CG2 4.17Å; V89-I186 HydrophobicContact CG2-CG2 3.35Å; G90-I186 WeakPolarHBondContact O-CA 3.45Å; A91-I186 HydrophobicContact CB-CG1 4.01Å; I171-I186 HydrophobicContact CD1-CD1 4.36Å; I171-I186 HydrophobicContact CD1-CG2 3.77Å; I186-G289 WeakPolarHBondContact O-CA 3.43Å; I186-I290 HydrophobicContact CB-CB 4.22Å; I186-I290 PolarHBondContact N-O 2.87Å; I186-I290 PolarHBondContact O-N 3.43Å
187T90.8Very high79.5Confident5 Ų550.2 Ų50.23%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-136.5178.1-173.363.60000110.2G90 H200 V287 F291G90-T187 PolarHBondContact N-O 3.39Å; G90-T187 PolarHBondContact O-N 3.03Å; T187-H200 PolarHBondContact OG1-CD2 3.38Å; T187-H200 VanDerWaalsContact OG1-CD2 3.24Å; T187-H200 PolarHBondContact OG1-CE1 2.86Å; T187-H200 PolarHBondContact OG1-ND1 3.23Å; T187-H200 PolarHBondContact OG1-NE2 3.05Å; T187-V287 HydrophobicContact CG2-CG1 4.44Å; T187-F291 HydrophobicContact CG2-CE1 4.24Å; T187-F291 HydrophobicContact CG2-CZ 3.96Å
188V89.2Confident78Confident7 Ų753.3 Ų53.34%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-74.9127.5179.7-172.70000110.3M84 H88 H200 V205 Y210 F212M84-V188 HydrophobicContact CE-CG1 4.33Å; M84-V188 HydrophobicContact CE-CG2 3.98Å; H88-V188 CarbonylContact O-C 3.5Å; H88-V188 VanDerWaalsContact O-CA 3.27Å; H88-V188 WeakPolarHBondContact O-CA 3.25Å; H88-V188 WeakPolarHBondContact O-CG1 3.41Å; V188-H200 WeakPolarHBondContact O-CB 3.48Å; V188-V205 HydrophobicContact CG1-CB 3.83Å; V188-V205 HydrophobicContact CG1-CG1 3.82Å; V188-V205 HydrophobicContact CG1-CG2 3.95Å; V188-Y210 HydrophobicContact CB-CE1 4.17Å; V188-Y210 HydrophobicContact CG1-CD1 4.28Å; V188-Y210 HydrophobicContact CG1-CE1 3.67Å; V188-Y210 HydrophobicContact CG2-CD1 3.86Å; V188-Y210 HydrophobicContact CG2-CD2 4.02Å; V188-Y210 HydrophobicContact CG2-CE1 3.76Å; V188-Y210 HydrophobicContact CG2-CE2 3.89Å; V188-Y210 HydrophobicContact CG2-CG 3.99Å; V188-F212 HydrophobicContact CG2-CE1 4.19Å; V188-F212 HydrophobicContact CG2-CZ 3.62Å
189G83.1Confident76.5Confident3 Ų353.6 Ų53.63%0.03129%0.294CS..SBendtrans92.2151.2177.400000113.2H88 G90 H200H88-G189 PolarHBondContact O-N 2.92Å; G90-G189 WeakPolarHBondContact CA-O 3.42Å; G90-G189 PolarHBondContact N-O 2.89Å; G189-H200 PolarHBondContact O-ND1 2.97Å; G189-H200 VanDerWaalsContact O-ND1 3.14Å
190K76.2Confident75.2Confident132 Ų13254.8 Ų54.857%0.57430%0.3SS*.  trans-68.2143.1174.6-67.7-169.1176.6-1740110.2I192K190-I192 PolarHBondContact O-N 3.33Å
191P72.9Confident73.9Confident28 Ų2855.6 Ų55.618%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-63.8134.7176.726.9-33.6000110D92 M100D92-P191 HydrophobicContact CB-CB 4.02Å; D92-P191 HydrophobicContact CB-CG 4.18Å; M100-P191 HydrophobicContact CE-CB 4.14Å
192I66.8Low72.3Confident77 Ų7756.1 Ų56.140%0.39531%0.306SS..EExtended strand (participates in β ladder)trans-111.4133.2168.2-70.4-161000109.7K190 H194 A199 I201K190-I192 PolarHBondContact O-N 3.33Å; I192-H194 PolarHBondContact O-N 2.68Å; I192-A199 PolarHBondContact N-O 3.07Å; I192-I201 HydrophobicContact CD1-CD1 3.07Å; I192-I201 HydrophobicContact CD1-CG1 3.46Å; I192-I201 VanDerWaalsContact CD1-CG1 3.46Å; I192-I201 HydrophobicContact CG1-CD1 3.88Å; I192-I201 HydrophobicContact CG1-CG1 3.98Å
193H59.2Low70.5Confident127 Ų12759.9 Ų59.959%0.58834%0.336SS*.EExtended strand (participates in β ladder)trans-73.7119.9172.2-53.8-83.2000110.4M100M100-H193 PolarHBondContact SD-CE1 2.81Å; M100-H193 PolarHBondContact SD-ND1 2.94Å
194H55.2Low68.9Low112 Ų11267.1 Ų67.152%0.51937%0.366SS..EExtended strand (participates in β ladder)trans-125.3139.3167.3-166.573.2000109.7I192 Q196 G197I192-H194 PolarHBondContact O-N 2.68Å; H194-Q196 PolarHBondContact O-N 2.62Å; H194-Q196 VanDerWaalsContact O-N 3.08Å; H194-G197 CarbonylContact C-O 3.46Å; H194-G197 WeakPolarHBondContact CA-O 3.39Å; H194-G197 WeakPolarHBondContact CB-O 3.32Å; H194-G197 PolarHBondContact N-O 3.14Å; H194-G197 PolarHBondContact O-N 3.04Å
195P51.6Low67.8Low128 Ų12867.8 Ų67.883%0.83137%0.37SS*.THydrogen-bonded Turntrans-65.8-9.5-176.620.5-31.2000115.5
196Q54.4Low66.9Low183 Ų18370.6 Ų70.686%0.85539%0.391SS*.THydrogen-bonded Turntrans-113.312.2175.9-69.4-179.9-4.200113.6H194H194-Q196 PolarHBondContact O-N 2.62Å; H194-Q196 VanDerWaalsContact O-N 3.08Å
197G56.2Low66Low29 Ų2976.4 Ų76.430%0.29942%0.418SS..EExtended strand (participates in β ladder)trans150.3-173.8178.400000113.3H194H194-G197 CarbonylContact C-O 3.46Å; H194-G197 WeakPolarHBondContact CA-O 3.39Å; H194-G197 WeakPolarHBondContact CB-O 3.32Å; H194-G197 PolarHBondContact N-O 3.14Å; H194-G197 PolarHBondContact O-N 3.04Å
198H59.2Low65.2Low65 Ų6584.6 Ų84.630%0.30146%0.456SS..EExtended strand (participates in β ladder)trans-114.8131.6179.5-17.5-64.3000108.6L94 E98 M100L94-H198 WeakPolarHBondContact CD1-CD2 3.41Å; L94-H198 VanDerWaalsContact CD2-NE2 3.34Å; L94-H198 WeakPolarHBondContact CD2-NE2 3.37Å; E98-H198 PolarHBondContact O-CE1 2.84Å; M100-H198 HydrophobicContact CE-CB 4.19Å
199A57.8Low64.7Low57 Ų5785.8 Ų85.847%0.47147%0.467SS..EExtended strand (participates in β ladder)trans-124.9138.7176.200000108.9I192I192-A199 PolarHBondContact N-O 3.07Å
200H61.1Low64.9Low47 Ų4786.4 Ų86.422%0.21847%0.468CS..EExtended strand (participates in β ladder)trans-94.1133.2166.3-62-95000108.7H185 T187 V188 G189 A202H185-H200 AromaticContact CD2-CE1 3.86Å; H185-H200 AromaticContact CD2-NE2 3.33Å; H185-H200 PolarHBondContact CD2-NE2 2.98Å; H185-H200 VanDerWaalsContact CD2-NE2 3.33Å; H185-H200 AromaticContact NE2-CE1 3.68Å; H185-H200 AromaticContact NE2-NE2 3.1Å; H185-H200 PolarHBondContact NE2-NE2 3Å; T187-H200 PolarHBondContact OG1-CD2 3.38Å; T187-H200 VanDerWaalsContact OG1-CD2 3.24Å; T187-H200 PolarHBondContact OG1-CE1 2.86Å; T187-H200 PolarHBondContact OG1-ND1 3.23Å; T187-H200 PolarHBondContact OG1-NE2 3.05Å; V188-H200 WeakPolarHBondContact O-CB 3.48Å; G189-H200 PolarHBondContact O-ND1 2.97Å; G189-H200 VanDerWaalsContact O-ND1 3.14Å; H200-A202 VanDerWaalsContact C-N 3.31Å; H200-A202 PolarHBondContact O-N 3.31Å
201I62.7Low65.8Low76 Ų7682.8 Ų82.839%0.3946%0.455SS..  trans-74.692.3171.8-53166.1000108.5I192 A203 F204I192-I201 HydrophobicContact CD1-CD1 3.07Å; I192-I201 HydrophobicContact CD1-CG1 3.46Å; I192-I201 VanDerWaalsContact CD1-CG1 3.46Å; I192-I201 HydrophobicContact CG1-CD1 3.88Å; I192-I201 HydrophobicContact CG1-CG1 3.98Å; I201-A203 VanDerWaalsContact C-N 3.34Å; I201-A203 HydrophobicContact CG2-CB 4.07Å; I201-F204 HydrophobicContact CG2-CD2 3.8Å; I201-F204 HydrophobicContact CG2-CE2 4.1Å
202A59.6Low66.8Low37 Ų3781.5 Ų81.531%0.30645%0.447SS..  trans-85.7-10.2165.900000112.5H200 F204 V205H200-A202 VanDerWaalsContact C-N 3.31Å; H200-A202 PolarHBondContact O-N 3.31Å; A202-F204 PolarHBondContact O-N 2.98Å; A202-V205 PolarHBondContact O-N 3.25Å
203A54.5Low68.2Low88 Ų8878 Ų7873%0.72743%0.429SS*.THydrogen-bonded Turntrans-61.2-19.4-166.300000115.7I201I201-A203 VanDerWaalsContact C-N 3.34Å; I201-A203 HydrophobicContact CG2-CB 4.07Å
204F59.7Low70Confident189 Ų18972.1 Ų72.183%0.82940%0.402SS*.THydrogen-bonded Turntrans-111.53.5-179.4-58.1-70.7000113.7I201 A202I201-F204 HydrophobicContact CG2-CD2 3.8Å; I201-F204 HydrophobicContact CG2-CE2 4.1Å; A202-F204 PolarHBondContact O-N 2.98Å
205V68.3Low71.9Confident19 Ų1967.2 Ų67.212%0.11538%0.379CS..SBendtrans-107.6118.9-178.9-173.60000108.8H88 V188 A202 A209 Y210H88-V205 HydrophobicContact CB-CG1 4.16Å; H88-V205 HydrophobicContact CB-CG2 4.3Å; V188-V205 HydrophobicContact CG1-CB 3.83Å; V188-V205 HydrophobicContact CG1-CG1 3.82Å; V188-V205 HydrophobicContact CG1-CG2 3.95Å; A202-V205 PolarHBondContact O-N 3.25Å; V205-A209 HydrophobicContact CG1-CB 3.94Å; V205-Y210 HydrophobicContact CB-CE1 4.26Å; V205-Y210 HydrophobicContact CG1-CD1 4.23Å; V205-Y210 HydrophobicContact CG1-CE1 3.88Å
206S73.5Confident74Confident70 Ų7061.3 Ų61.349%0.4934%0.34SS..  trans-60.7139.1175.458.20000110.7E208 A209S206-E208 PolarHBondContact O-N 2.69Å; S206-A209 WeakPolarHBondContact O-CB 3.36Å; S206-A209 PolarHBondContact O-N 3.05Å
207H73.6Confident75.8Confident126 Ų12652.9 Ų52.958%0.58330%0.301SS*.G310 helixtrans-56-21.2174.3-71.2-73.6000113.8A209 Y210 N242H207-A209 VanDerWaalsContact C-N 3.25Å; H207-A209 PolarHBondContact O-N 3.25Å; H207-Y210 AromaticContact ND1-CE2 3.59Å; H207-Y210 AromaticContact ND1-CZ 3.75Å; H207-Y210 PolarHBondContact O-N 3.28Å; H207-N242 PolarHBondContact O-ND2 3.15Å
208E74.2Confident77.6Confident176 Ų17653.2 Ų53.282%0.82229%0.294SS*.G310 helixtrans-68.9-21.2173.8-63.9-177.1-18000113.5S206 Y210S206-E208 PolarHBondContact O-N 2.69Å; E208-Y210 VanDerWaalsContact C-N 3.31Å
209A78.6Confident79.2Confident33 Ų3350.1 Ų50.127%0.27328%0.28SS..G310 helixtrans-87.1-1.4179.700000113.1V205 S206 H207 N211V205-A209 HydrophobicContact CG1-CB 3.94Å; S206-A209 WeakPolarHBondContact O-CB 3.36Å; S206-A209 PolarHBondContact O-N 3.05Å; H207-A209 VanDerWaalsContact C-N 3.25Å; H207-A209 PolarHBondContact O-N 3.25Å; A209-N211 PolarHBondContact O-N 2.73Å
210Y88.6Confident80.9Confident15 Ų1547.9 Ų47.96%0.05926%0.261CS..  trans-81.9114.5-176.3-70.421.1000109V188 V205 H207 E208 F212 N242V188-Y210 HydrophobicContact CB-CE1 4.17Å; V188-Y210 HydrophobicContact CG1-CD1 4.28Å; V188-Y210 HydrophobicContact CG1-CE1 3.67Å; V188-Y210 HydrophobicContact CG2-CD1 3.86Å; V188-Y210 HydrophobicContact CG2-CD2 4.02Å; V188-Y210 HydrophobicContact CG2-CE1 3.76Å; V188-Y210 HydrophobicContact CG2-CE2 3.89Å; V188-Y210 HydrophobicContact CG2-CG 3.99Å; V205-Y210 HydrophobicContact CB-CE1 4.26Å; V205-Y210 HydrophobicContact CG1-CD1 4.23Å; V205-Y210 HydrophobicContact CG1-CE1 3.88Å; H207-Y210 AromaticContact ND1-CE2 3.59Å; H207-Y210 AromaticContact ND1-CZ 3.75Å; H207-Y210 PolarHBondContact O-N 3.28Å; E208-Y210 VanDerWaalsContact C-N 3.31Å; Y210-F212 HydrophobicContact CD2-CE2 4.31Å; Y210-N242 WeakPolarHBondContact CB-O 3.35Å; Y210-N242 WeakPolarHBondContact O-CA 3.19Å; Y210-N242 VanDerWaalsContact O-CG 3.29Å; Y210-N242 PolarHBondContact O-OD1 3.34Å
211N93.3Very high82.5Confident57 Ų5745.8 Ų45.831%0.30525%0.251SS..  trans-142.393.6175.2-176.1-8000109.9A83 M84 A209 S213A83-N211 HydrophobicContact CB-CB 4.48Å; A83-N211 WeakPolarHBondContact O-CB 3.23Å; M84-N211 HydrophobicContact CG-CB 4.23Å; M84-N211 VanDerWaalsContact CG-O 3.27Å; M84-N211 WeakPolarHBondContact CG-O 3.49Å; M84-N211 PolarHBondContact SD-N 3.28Å; A209-N211 PolarHBondContact O-N 2.73Å; N211-S213 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact O-N 3.15Å; N211-S213 WeakPolarHBondContact OD1-CB 3.34Å; N211-S213 PolarHBondContact OD1-N 2.88Å; N211-S213 PolarHBondContact OD1-OG 2.82Å
212F94.6Very high83.8Confident1 Ų142.5 Ų42.50%0.00424%0.236CC..  trans-80.117.9179.5-63-71.4000113.6M84 V188 Y210 H214 T239 N242 Q244 Y246 S288 G289 I290M84-F212 HydrophobicContact SD-CE1 4.4Å; V188-F212 HydrophobicContact CG2-CE1 4.19Å; V188-F212 HydrophobicContact CG2-CZ 3.62Å; Y210-F212 HydrophobicContact CD2-CE2 4.31Å; F212-H214 PolarHBondContact O-N 3.35Å; F212-H214 PolarHBondContact O-ND1 2.84Å; F212-T239 HydrophobicContact CB-CG2 4.41Å; F212-N242 WeakPolarHBondContact CE2-O 3.41Å; F212-Q244 WeakPolarHBondContact CD2-O 3.37Å; F212-Y246 HydrophobicContact CB-CD2 4.31Å; F212-Y246 HydrophobicContact CB-CE2 4.23Å; F212-Y246 WeakPolarHBondContact O-CE2 3.12Å; F212-S288 VanDerWaalsContact CE2-CB 3.46Å; F212-S288 WeakPolarHBondContact CE2-OG 3.43Å; F212-S288 WeakPolarHBondContact CZ-O 3.5Å; F212-G289 VanDerWaalsContact CE1-CA 3.49Å; F212-I290 HydrophobicContact CB-CG1 4.5Å; F212-I290 HydrophobicContact CD1-CG1 4.44Å
213S96.4Very high85.2Confident4 Ų446 Ų463%0.02825%0.246CC..  trans-60.9129.4167.1-57.70000108.1A83 N211 K237 T239A83-S213 WeakPolarHBondContact CB-O 3.47Å; A83-S213 PolarHBondContact N-O 3.19Å; N211-S213 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact O-N 3.15Å; N211-S213 WeakPolarHBondContact OD1-CB 3.34Å; N211-S213 PolarHBondContact OD1-N 2.88Å; N211-S213 PolarHBondContact OD1-OG 2.82Å; S213-K237 CarbonylContact C-O 3.57Å; S213-K237 VanDerWaalsContact CA-O 3.23Å; S213-K237 WeakPolarHBondContact CA-O 3.45Å; S213-T239 PolarHBondContact OG-N 2.98Å; S213-T239 PolarHBondContact OG-O 3.41Å
214H96.7Very high86.5Confident2 Ų246.6 Ų46.61%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-148.8157.8-17364-77.4000111.8T81 V82 F212 E236 K237 Y246 Y248 I290T81-H214 CarbonylContact O-C 3.46Å; T81-H214 WeakPolarHBondContact O-CA 3.47Å; T81-H214 WeakPolarHBondContact O-CB 3.41Å; V82-H214 HydrophobicContact CG2-CB 4.23Å; F212-H214 PolarHBondContact O-N 3.35Å; F212-H214 PolarHBondContact O-ND1 2.84Å; H214-E236 WeakPolarHBondContact O-CA 3.16Å; H214-K237 PolarHBondContact N-O 3.39Å; H214-K237 PolarHBondContact O-N 2.81Å; H214-Y246 AromaticContact CE1-CD2 3.45Å; H214-Y246 VanDerWaalsContact CE1-CD2 3.45Å; H214-Y246 WeakPolarHBondContact CE1-CD2 3.16Å; H214-Y246 AromaticContact CE1-CE2 3.83Å; H214-Y246 AromaticContact CE1-CG 3.54Å; H214-Y246 AromaticContact ND1-CD2 3.8Å; H214-Y246 AromaticContact ND1-CE2 3.93Å; H214-Y248 PolarHBondContact CE1-OH 3.48Å; H214-Y248 AromaticContact NE2-CE2 3.51Å; H214-Y248 AromaticContact NE2-CZ 3.5Å; H214-Y248 PolarHBondContact NE2-OH 2.89Å; H214-I290 HydrophobicContact CB-CD1 3.58Å; H214-I290 VanDerWaalsContact CG-CD1 3.47Å
215R95.9Very high87.5Confident10 Ų1038.3 Ų38.34%0.03820%0.198CC..EExtended strand (participates in β ladder)trans-128.1130.5173.1-174.8179.367.1-118.4-4.3108.4V80 T81 F113 L115 D217 T235 E236V80-R215 CarbonylContact C-O 3.57Å; V80-R215 WeakPolarHBondContact CA-O 3.39Å; T81-R215 PolarHBondContact N-O 2.93Å; T81-R215 PolarHBondContact O-N 2.72Å; T81-R215 PolarHBondContact OG1-NH2 3.03Å; F113-R215 PolarHBondContact O-NH1 3.43Å; L115-R215 VanDerWaalsContact CD2-NH1 3.26Å; R215-D217 WeakPolarHBondContact CD-OD1 3.41Å; R215-D217 IonicContact CZ-OD1 2.75Å; R215-D217 IonicContact CZ-OD2 2.88Å; R215-D217 IonicContact NE-OD1 3.89Å; R215-D217 PolarHBondContact NE-OD1 3.03Å; R215-D217 IonicContact NE-OD2 3.96Å; R215-D217 PolarHBondContact NE-OD2 3.16Å; R215-D217 IonicContact NH2-OD1 3.38Å; R215-D217 IonicContact NH2-OD2 3.96Å; R215-D217 PolarHBondContact NH2-OD2 3.4Å; R215-T235 CarbonylContact C-O 3.52Å; R215-T235 VanDerWaalsContact CA-O 3.25Å; R215-T235 WeakPolarHBondContact CA-O 3.4Å; R215-T235 WeakPolarHBondContact CG-O 3.38Å; R215-E236 HydrophobicContact CG-CB 4.37Å
216I95.6Very high87.8Confident3 Ų341.3 Ų41.32%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-95.1104.6172.6-55.3177.2000105.5V80 L219 L232 G234 T235 Y248V80-I216 HydrophobicContact CG2-CB 4.48Å; V80-I216 HydrophobicContact CG2-CG1 4.22Å; V80-I216 HydrophobicContact CG2-CG2 4.22Å; I216-L219 HydrophobicContact CG2-CB 3.87Å; I216-L232 WeakPolarHBondContact CB-O 3.48Å; I216-L232 HydrophobicContact CD1-CB 4.18Å; I216-L232 HydrophobicContact CD1-CD1 4.02Å; I216-L232 HydrophobicContact CD1-CD2 4.32Å; I216-L232 HydrophobicContact CD1-CG 4.42Å; I216-L232 HydrophobicContact CG2-CB 4.1Å; I216-G234 WeakPolarHBondContact O-CA 3.33Å; I216-G234 PolarHBondContact O-N 2.78Å; I216-T235 WeakPolarHBondContact CB-OG1 3.42Å; I216-T235 PolarHBondContact N-O 3.43Å; I216-T235 PolarHBondContact O-N 2.84Å; I216-Y248 HydrophobicContact CD1-CE1 4.36Å; I216-Y248 HydrophobicContact CD1-CE2 4.11Å
217D92.8Very high87.8Confident6 Ų638.2 Ų38.23%0.03220%0.197CC..EExtended strand (participates in β ladder)trans-77.1-44.4-179.8-73.7-48.1000109.7D79 T81 R215D79-D217 HydrophobicContact CB-CB 4.24Å; D79-D217 PolarHBondContact O-N 3.13Å; T81-D217 PolarHBondContact OG1-OD2 2.95Å; R215-D217 WeakPolarHBondContact CD-OD1 3.41Å; R215-D217 IonicContact CZ-OD1 2.75Å; R215-D217 IonicContact CZ-OD2 2.88Å; R215-D217 IonicContact NE-OD1 3.89Å; R215-D217 PolarHBondContact NE-OD1 3.03Å; R215-D217 IonicContact NE-OD2 3.96Å; R215-D217 PolarHBondContact NE-OD2 3.16Å; R215-D217 IonicContact NH2-OD1 3.38Å; R215-D217 IonicContact NH2-OD2 3.96Å; R215-D217 PolarHBondContact NH2-OD2 3.4Å
218H92.9Very high88Confident36 Ų3633.4 Ų33.417%0.16718%0.176CC..EExtended strand (participates in β ladder)trans-149.4135.5172.3-171.459.7000111.6D79 S220 E224 N230 D233D79-H218 HydrophobicContact CB-CB 3.95Å; D79-H218 PolarHBondContact N-O 3.45Å; D79-H218 PolarHBondContact O-N 2.83Å; H218-S220 WeakPolarHBondContact NE2-CB 3.14Å; H218-S220 PolarHBondContact NE2-OG 2.94Å; H218-E224 IonicContact NE2-OE1 3.76Å; H218-N230 PolarHBondContact CE1-ND2 3.08Å; H218-N230 VanDerWaalsContact CE1-ND2 3.28Å; H218-D233 WeakPolarHBondContact CA-OD1 3.32Å; H218-D233 IonicContact CE1-OD2 3.6Å; H218-D233 IonicContact CG-OD1 3.74Å; H218-D233 IonicContact ND1-OD1 2.62Å; H218-D233 PolarHBondContact ND1-OD1 3.28Å; H218-D233 IonicContact ND1-OD2 3.81Å; H218-D233 PolarHBondContact ND1-OD2 2.96Å
219L93.8Very high88.4Confident1 Ų126.3 Ų26.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-139.1118.4167.1-176.275.7000109.9I76 N77 V78 I216 F221 N230 L232 D233 I250 F269 V292I76-L219 HydrophobicContact CG2-CD1 4.3Å; N77-L219 WeakPolarHBondContact O-CA 3.47Å; V78-L219 HydrophobicContact CG2-CD1 4Å; I216-L219 HydrophobicContact CG2-CB 3.87Å; L219-F221 HydrophobicContact CD2-CE2 4.32Å; L219-F221 HydrophobicContact CG-CE2 4.37Å; L219-N230 WeakPolarHBondContact O-CB 3.42Å; L219-N230 VanDerWaalsContact O-CG 3.29Å; L219-N230 PolarHBondContact O-ND2 2.72Å; L219-L232 HydrophobicContact CD2-CD1 3.68Å; L219-D233 PolarHBondContact N-OD1 2.8Å; L219-I250 HydrophobicContact CD2-CD1 3.5Å; L219-F269 HydrophobicContact CD2-CZ 4.41Å; L219-F269 WeakPolarHBondContact O-CE1 3.44Å; L219-V292 HydrophobicContact CD2-CG1 4.25Å
220S93.3Very high88.9Confident9 Ų925.1 Ų25.16%0.06313%0.132CC..EExtended strand (participates in β ladder)trans-140.9162178.967.10000112.8N77 H218N77-S220 WeakPolarHBondContact CB-OG 3.44Å; N77-S220 PolarHBondContact N-O 2.9Å; N77-S220 PolarHBondContact ND2-OG 2.72Å; N77-S220 PolarHBondContact O-N 2.79Å; H218-S220 WeakPolarHBondContact NE2-CB 3.14Å; H218-S220 PolarHBondContact NE2-OG 2.94Å
221F93.4Very high88.9Confident4 Ų426.2 Ų26.22%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-126.4131-178-66-91.6000109.3L74 R75 I76 L219 I250 V252 H267 F269 Y294L74-F221 HydrophobicContact CD1-CB 4.25Å; L74-F221 HydrophobicContact CD2-CD1 3.94Å; L74-F221 HydrophobicContact CG-CD1 4.32Å; R75-F221 CarbonylContact O-C 3.14Å; R75-F221 WeakPolarHBondContact O-CA 3.25Å; I76-F221 HydrophobicContact CB-CD1 4.48Å; I76-F221 HydrophobicContact CD1-CD1 4.41Å; I76-F221 HydrophobicContact CD1-CE1 3.96Å; I76-F221 HydrophobicContact CG1-CD1 3.86Å; I76-F221 HydrophobicContact CG1-CE1 3.88Å; I76-F221 HydrophobicContact CG2-CD1 4.3Å; I76-F221 HydrophobicContact CG2-CE1 4.02Å; L219-F221 HydrophobicContact CD2-CE2 4.32Å; L219-F221 HydrophobicContact CG-CE2 4.37Å; F221-I250 HydrophobicContact CE2-CD1 4.11Å; F221-I250 HydrophobicContact CE2-CG2 3.84Å; F221-I250 HydrophobicContact CZ-CD1 4.16Å; F221-I250 HydrophobicContact CZ-CG2 4.06Å; F221-V252 HydrophobicContact CB-CG1 3.97Å; F221-V252 HydrophobicContact CD1-CG1 4.41Å; F221-V252 HydrophobicContact CD1-CG2 3.91Å; F221-V252 HydrophobicContact CD2-CG2 4.08Å; F221-V252 HydrophobicContact CE1-CG2 3.89Å; F221-V252 HydrophobicContact CE2-CG2 4.07Å; F221-V252 HydrophobicContact CG-CG1 4.1Å; F221-V252 HydrophobicContact CG-CG2 4Å; F221-V252 HydrophobicContact CZ-CG2 3.97Å; F221-H267 HydrophobicContact CB-CB 3.71Å; F221-H267 WeakPolarHBondContact O-CB 3.15Å; F221-H267 PolarHBondContact O-N 2.78Å; F221-H267 VanDerWaalsContact O-N 3.13Å; F221-H267 PolarHBondContact O-ND1 2.69Å; F221-F269 AromaticContact CD2-CD1 3.65Å; F221-F269 HydrophobicContact CD2-CD1 3.65Å; F221-F269 AromaticContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CG 4.25Å; F221-F269 AromaticContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CE1 4.12Å; F221-F269 HydrophobicContact CE2-CG 4.23Å; F221-Y294 HydrophobicContact CE1-CD1 4.46Å; F221-Y294 HydrophobicContact CE1-CD2 4.48Å; F221-Y294 HydrophobicContact CE1-CG 4.11Å; F221-Y294 HydrophobicContact CZ-CG 4.46Å
222G90.9Very high88.9Confident6 Ų623.5 Ų23.56%0.06213%0.127CC..EExtended strand (participates in β ladder)trans86.5-154.2-175.400000114R75 N77 H267R75-G222 PolarHBondContact O-N 2.68Å; N77-G222 PolarHBondContact ND2-O 3.44Å; N77-G222 VanDerWaalsContact ND2-O 3.12Å; G222-H267 WeakPolarHBondContact CA-ND1 3.45Å
223E87.8Confident88.7Confident111 Ų11123.5 Ų23.552%0.51913%0.127SC..SBendtrans-75135.3177.4-168.8164-16000111V225 D265E223-V225 PolarHBondContact O-N 2.94Å; E223-D265 PolarHBondContact N-O 3.3Å
224E82.9Confident88.3Confident101 Ų10123.3 Ų23.347%0.47213%0.125SC..  trans-78118.1178.7-71.3175.5-166.600109.8N77 H218N77-E224 WeakPolarHBondContact CB-OE1 3.44Å; N77-E224 WeakPolarHBondContact ND2-CG 3.27Å; N77-E224 PolarHBondContact ND2-OE1 2.94Å; N77-E224 PolarHBondContact OD1-OE1 3.3Å; H218-E224 IonicContact NE2-OE1 3.76Å
225V80.1Confident88.1Confident14 Ų1424.2 Ų24.29%0.08513%0.131CC..  trans-108.9130.9173.4177.60000108.5L148 E223 G227 I228 L257 A264 T266L148-V225 HydrophobicContact CD2-CG1 4.34Å; E223-V225 PolarHBondContact O-N 2.94Å; V225-G227 PolarHBondContact O-N 2.98Å; V225-I228 HydrophobicContact CB-CD1 3.97Å; V225-I228 HydrophobicContact CB-CG1 4.45Å; V225-I228 PolarHBondContact O-N 3.39Å; V225-L257 HydrophobicContact CG1-CD2 4.09Å; V225-A264 HydrophobicContact CG2-CB 3.6Å; V225-T266 HydrophobicContact CB-CG2 4.14Å; V225-T266 HydrophobicContact CG2-CG2 3.35Å
226P75.7Confident88.1Confident82 Ų8226.5 Ų26.553%0.53214%0.142SC..THydrogen-bonded Turntrans-60.5135.2179.224.5-33.5000110.5L148L148-P226 HydrophobicContact CD2-CG 4.34Å; L148-P226 WeakPolarHBondContact CD2-O 3.32Å
227G72.3Confident88.1Confident5 Ų528.7 Ų28.75%0.05215%0.152CC..THydrogen-bonded Turntrans92.16.2175.900000116.4L147 V225L147-G227 WeakPolarHBondContact CD1-O 3.39Å; V225-G227 PolarHBondContact O-N 2.98Å
228I77.4Confident88.2Confident25 Ų2532.4 Ų32.413%0.12817%0.17CC..  trans-86.4126.7163.6-59.2-179.4000108.1Y144 V225 T266Y144-I228 HydrophobicContact CE1-CD1 4.46Å; Y144-I228 HydrophobicContact CE1-CG1 4.18Å; Y144-I228 WeakPolarHBondContact OH-CD1 3.18Å; V225-I228 HydrophobicContact CB-CD1 3.97Å; V225-I228 HydrophobicContact CB-CG1 4.45Å; V225-I228 PolarHBondContact O-N 3.39Å; I228-T266 HydrophobicContact CD1-CG2 4.11Å
229I82.8Confident88.3Confident28 Ų2831.3 Ų31.314%0.14417%0.166CC..  trans-104.9118.6171.9-59.6178.3000107.3L126 L133 L143 L147 T153L126-I229 HydrophobicContact CD1-CD1 4.08Å; L126-I229 HydrophobicContact CD1-CG1 4.38Å; L126-I229 HydrophobicContact CD1-CG2 4.01Å; L133-I229 HydrophobicContact CD1-CD1 4.22Å; L143-I229 HydrophobicContact CD2-CD1 3.9Å; L143-I229 HydrophobicContact CD2-CG1 4.4Å; L147-I229 HydrophobicContact CD1-CD1 4.07Å; L147-I229 HydrophobicContact CD1-CG1 4.16Å; T153-I229 HydrophobicContact CG2-CG1 3.88Å
230N88.8Confident88.2Confident8 Ų841.2 Ų41.24%0.04321%0.205CC..  trans-87.7153.6-178.6-56.6-73.3000111.8H218 L219 L232 D233 F269H218-N230 PolarHBondContact CE1-ND2 3.08Å; H218-N230 VanDerWaalsContact CE1-ND2 3.28Å; L219-N230 WeakPolarHBondContact O-CB 3.42Å; L219-N230 VanDerWaalsContact O-CG 3.29Å; L219-N230 PolarHBondContact O-ND2 2.72Å; N230-L232 PolarHBondContact O-N 3.41Å; N230-L232 VanDerWaalsContact O-N 3.08Å; N230-D233 WeakPolarHBondContact CB-OD2 3.5Å; N230-D233 PolarHBondContact N-OD2 2.86Å; N230-D233 PolarHBondContact ND2-OD2 2.82Å; N230-D233 PolarHBondContact O-N 3.41Å; N230-D233 VanDerWaalsContact O-N 3.16Å; N230-F269 HydrophobicContact CB-CE1 3.64Å; N230-F269 HydrophobicContact CB-CZ 3.74Å
231P89.9Confident88.1Confident38 Ų3844.8 Ų44.825%0.24722%0.224CC..THydrogen-bonded Turntrans-61.1-17.8-178.2-26.233.7000116.7Q130 F269 V271Q130-P231 VanDerWaalsContact NE2-C 3.29Å; Q130-P231 PolarHBondContact NE2-O 3.05Å; P231-F269 HydrophobicContact CB-CE2 4.18Å; P231-F269 HydrophobicContact CG-CD2 4.23Å; P231-F269 HydrophobicContact CG-CE2 4.07Å; P231-F269 WeakPolarHBondContact CG-O 3.48Å; P231-V271 HydrophobicContact CB-CG1 4Å
232L92Very high88Confident0 Ų047.6 Ų47.60%024%0.239CC..THydrogen-bonded Turntrans-105.5-3.5179.6-72.3179000113.5I216 L219 N230 G234 T235 Y248 I250 F269 V271I216-L232 WeakPolarHBondContact CB-O 3.48Å; I216-L232 HydrophobicContact CD1-CB 4.18Å; I216-L232 HydrophobicContact CD1-CD1 4.02Å; I216-L232 HydrophobicContact CD1-CD2 4.32Å; I216-L232 HydrophobicContact CD1-CG 4.42Å; I216-L232 HydrophobicContact CG2-CB 4.1Å; L219-L232 HydrophobicContact CD2-CD1 3.68Å; N230-L232 PolarHBondContact O-N 3.41Å; N230-L232 VanDerWaalsContact O-N 3.08Å; L232-G234 PolarHBondContact O-N 2.89Å; L232-T235 HydrophobicContact CD2-CG2 4.25Å; L232-T235 WeakPolarHBondContact O-CB 3.37Å; L232-T235 WeakPolarHBondContact O-CG2 3.45Å; L232-T235 PolarHBondContact O-N 2.8Å; L232-T235 PolarHBondContact O-OG1 2.88Å; L232-Y248 HydrophobicContact CD1-CD1 4.09Å; L232-Y248 HydrophobicContact CD1-CG 4.34Å; L232-Y248 HydrophobicContact CD2-CD1 3.87Å; L232-Y248 HydrophobicContact CD2-CE1 3.93Å; L232-I250 HydrophobicContact CD1-CD1 3.9Å; L232-F269 HydrophobicContact CD1-CE2 4.32Å; L232-F269 HydrophobicContact CG-CE2 4.24Å; L232-V271 HydrophobicContact CD1-CG2 3.98Å; L232-V271 HydrophobicContact CD2-CB 4.47Å; L232-V271 HydrophobicContact CD2-CG1 4.02Å; L232-V271 HydrophobicContact CD2-CG2 4.02Å; L232-V271 HydrophobicContact CG-CB 4.38Å; L232-V271 HydrophobicContact CG-CG1 4.24Å; L232-V271 HydrophobicContact CG-CG2 4.13Å
233D90.9Very high87.9Confident1 Ų150.2 Ų50.21%0.00525%0.252CS..THydrogen-bonded Turntrans-66.4128.6-176.6-67.8-11.2000110.9L126 H218 L219 N230 T235L126-D233 HydrophobicContact CD2-CB 4.02Å; H218-D233 WeakPolarHBondContact CA-OD1 3.32Å; H218-D233 IonicContact CE1-OD2 3.6Å; H218-D233 IonicContact CG-OD1 3.74Å; H218-D233 IonicContact ND1-OD1 2.62Å; H218-D233 PolarHBondContact ND1-OD1 3.28Å; H218-D233 IonicContact ND1-OD2 3.81Å; H218-D233 PolarHBondContact ND1-OD2 2.96Å; L219-D233 PolarHBondContact N-OD1 2.8Å; N230-D233 WeakPolarHBondContact CB-OD2 3.5Å; N230-D233 PolarHBondContact N-OD2 2.86Å; N230-D233 PolarHBondContact ND2-OD2 2.82Å; N230-D233 PolarHBondContact O-N 3.41Å; N230-D233 VanDerWaalsContact O-N 3.16Å; D233-T235 VanDerWaalsContact C-N 3.25Å; D233-T235 PolarHBondContact O-N 2.85Å
234G89.3Confident88.2Confident0 Ų045.6 Ų45.60%023%0.23CC..THydrogen-bonded Turntrans71.210.7-177.300000115.2Q123 R127 I216 L232Q123-G234 WeakPolarHBondContact CG-O 3.42Å; Q123-G234 PolarHBondContact NE2-O 3.24Å; R127-G234 PolarHBondContact NE-O 3.2Å; R127-G234 PolarHBondContact NH2-O 3.33Å; I216-G234 WeakPolarHBondContact O-CA 3.33Å; I216-G234 PolarHBondContact O-N 2.78Å; L232-G234 PolarHBondContact O-N 2.89Å
235T92.1Very high88.8Confident20 Ų2041.1 Ų41.112%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-72.3143.7175.459.30000111.3R215 I216 L232 D233R215-T235 CarbonylContact C-O 3.52Å; R215-T235 VanDerWaalsContact CA-O 3.25Å; R215-T235 WeakPolarHBondContact CA-O 3.4Å; R215-T235 WeakPolarHBondContact CG-O 3.38Å; I216-T235 WeakPolarHBondContact CB-OG1 3.42Å; I216-T235 PolarHBondContact N-O 3.43Å; I216-T235 PolarHBondContact O-N 2.84Å; L232-T235 HydrophobicContact CD2-CG2 4.25Å; L232-T235 WeakPolarHBondContact O-CB 3.37Å; L232-T235 WeakPolarHBondContact O-CG2 3.45Å; L232-T235 PolarHBondContact O-N 2.8Å; L232-T235 PolarHBondContact O-OG1 2.88Å; D233-T235 VanDerWaalsContact C-N 3.25Å; D233-T235 PolarHBondContact O-N 2.85Å
236E94.6Very high89.6Confident58 Ų5840.8 Ų40.827%0.27121%0.206SC..EExtended strand (participates in β ladder)trans-138135.1-179-177.6-178.2-13400109.3R127 H214 R215 I238R127-E236 IonicContact NH2-OE2 3.41Å; H214-E236 WeakPolarHBondContact O-CA 3.16Å; R215-E236 HydrophobicContact CG-CB 4.37Å; E236-I238 HydrophobicContact CG-CD1 3.98Å; E236-I238 HydrophobicContact CG-CG1 4.45Å
237K95.6Very high90.5Very high50 Ų5037.5 Ų37.522%0.21718%0.184CC..EExtended strand (participates in β ladder)trans-128.6127.4176.4-62.8-67.1-176167.60109S213 H214 Y246 Y248 E273S213-K237 CarbonylContact C-O 3.57Å; S213-K237 VanDerWaalsContact CA-O 3.23Å; S213-K237 WeakPolarHBondContact CA-O 3.45Å; H214-K237 PolarHBondContact N-O 3.39Å; H214-K237 PolarHBondContact O-N 2.81Å; K237-Y246 HydrophobicContact CB-CD1 4.49Å; K237-Y246 HydrophobicContact CB-CE1 3.85Å; K237-Y246 HydrophobicContact CD-CE1 4.39Å; K237-Y246 HydrophobicContact CG-CD1 4.43Å; K237-Y246 HydrophobicContact CG-CE1 4.11Å; K237-Y248 WeakPolarHBondContact CG-OH 3.33Å; K237-E273 WeakPolarHBondContact CE-OE2 3.41Å; K237-E273 IonicContact NZ-OE2 3Å; K237-E273 PolarHBondContact NZ-OE2 3.38Å
238I95.6Very high91.7Very high83 Ų8337.3 Ų37.343%0.42618%0.182SC..  trans-111.4134.8177.6-52.6-58.7000108.5F113 E236F113-I238 HydrophobicContact CE1-CD1 3.48Å; F113-I238 VanDerWaalsContact CE1-CD1 3.48Å; F113-I238 HydrophobicContact CZ-CD1 3.76Å; E236-I238 HydrophobicContact CG-CD1 3.98Å; E236-I238 HydrophobicContact CG-CG1 4.45Å
239T94.4Very high92.7Very high14 Ų1439.8 Ų39.89%0.08619%0.192CC..  trans-128.1144.5173.41780000110.6F212 S213 N241 Q244 Y246F212-T239 HydrophobicContact CB-CG2 4.41Å; S213-T239 PolarHBondContact OG-N 2.98Å; S213-T239 PolarHBondContact OG-O 3.41Å; T239-N241 PolarHBondContact OG1-N 3.04Å; T239-N241 PolarHBondContact OG1-O 2.74Å; T239-Q244 HydrophobicContact CG2-CB 4.01Å; T239-Q244 HydrophobicContact CG2-CG 4.29Å; T239-Y246 WeakPolarHBondContact CB-OH 3.42Å; T239-Y246 HydrophobicContact CG2-CE2 4.29Å
240Y91.8Very high93.3Very high208 Ų20838.6 Ų38.682%0.81619%0.185SC*.SBendtrans-101.7-7.8169.6-53.7-76.7000112
241N91.8Very high93.7Very high85 Ų8541.2 Ų41.246%0.45520%0.202SC..  trans-97129.1177.1-67.3-60000110.3T239 N243 V277T239-N241 PolarHBondContact OG1-N 3.04Å; T239-N241 PolarHBondContact OG1-O 2.74Å; N241-N243 VanDerWaalsContact C-N 3.29Å; N241-N243 PolarHBondContact O-N 3.05Å; N241-V277 HydrophobicContact CB-CG1 4.4Å; N241-V277 HydrophobicContact CB-CG2 4.34Å
242N90.4Very high93.9Very high62 Ų6239.4 Ų39.433%0.33219%0.19SC..THydrogen-bonded Turntrans-69-27.1-179.8-69.613.6000112.9H207 Y210 F212H207-N242 PolarHBondContact O-ND2 3.15Å; Y210-N242 WeakPolarHBondContact CB-O 3.35Å; Y210-N242 WeakPolarHBondContact O-CA 3.19Å; Y210-N242 VanDerWaalsContact O-CG 3.29Å; Y210-N242 PolarHBondContact O-OD1 3.34Å; F212-N242 WeakPolarHBondContact CE2-O 3.41Å
243N90.5Very high93.9Very high62 Ų6241 Ų4133%0.33220%0.2SC..THydrogen-bonded Turntrans-101.938.6-178.5-64.5-28.6000112.4N241 I278N241-N243 VanDerWaalsContact C-N 3.29Å; N241-N243 PolarHBondContact O-N 3.05Å; N243-I278 HydrophobicContact CB-CB 4.27Å; N243-I278 WeakPolarHBondContact CB-O 3.43Å; N243-I278 WeakPolarHBondContact O-CB 3.3Å; N243-I278 PolarHBondContact O-N 2.9Å
244Q93.7Very high94.1Very high14 Ų1441.3 Ų41.37%0.06520%0.202CC..EExtended strand (participates in β ladder)trans-78.6141.1178.1-169.467.120.400111.4F212 T239 Y246 S288 G289F212-Q244 WeakPolarHBondContact CD2-O 3.37Å; T239-Q244 HydrophobicContact CG2-CB 4.01Å; T239-Q244 HydrophobicContact CG2-CG 4.29Å; Q244-Y246 HydrophobicContact CB-CE2 4.23Å; Q244-Y246 HydrophobicContact CG-CD2 3.98Å; Q244-Y246 HydrophobicContact CG-CE1 4.23Å; Q244-Y246 HydrophobicContact CG-CE2 3.41Å; Q244-Y246 VanDerWaalsContact CG-CE2 3.41Å; Q244-S288 WeakPolarHBondContact O-CA 3.18Å; Q244-S288 WeakPolarHBondContact O-CB 3.48Å; Q244-G289 PolarHBondContact O-N 3.12Å; Q244-G289 VanDerWaalsContact O-N 3.11Å
245M94.4Very high94.1Very high6 Ų641.4 Ų41.43%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-121.1122.7172.4-171.4-168.270.600109.9Q247 E275 R276 I278 V287 G289 F291M245-Q247 HydrophobicContact CE-CG 3.69Å; M245-Q247 HydrophobicContact CG-CG 4.27Å; M245-Q247 HydrophobicContact SD-CG 4.24Å; M245-E275 WeakPolarHBondContact O-CA 3.45Å; M245-R276 HydrophobicContact CB-CG 4.4Å; M245-R276 HydrophobicContact CE-CG 3.47Å; M245-R276 VanDerWaalsContact CE-CG 3.47Å; M245-R276 PolarHBondContact N-O 2.81Å; M245-R276 PolarHBondContact O-N 3.05Å; M245-I278 HydrophobicContact CB-CD1 3.98Å; M245-I278 HydrophobicContact CB-CG1 4.05Å; M245-I278 HydrophobicContact SD-CD1 4.2Å; M245-V287 WeakPolarHBondContact CG-O 3.47Å; M245-G289 WeakPolarHBondContact CA-O 3.39Å; M245-F291 HydrophobicContact CG-CD2 3.8Å; M245-F291 HydrophobicContact CG-CE2 3.69Å; M245-F291 HydrophobicContact SD-CD2 4.41Å; M245-F291 HydrophobicContact SD-CE2 4.26Å
246Y96.9Very high94Very high7 Ų744.6 Ų44.63%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-108.3133.5173.9-66.6-77.4000110.1F212 H214 K237 T239 Q244 E275 G289 I290 F291F212-Y246 HydrophobicContact CB-CD2 4.31Å; F212-Y246 HydrophobicContact CB-CE2 4.23Å; F212-Y246 WeakPolarHBondContact O-CE2 3.12Å; H214-Y246 AromaticContact CE1-CD2 3.45Å; H214-Y246 VanDerWaalsContact CE1-CD2 3.45Å; H214-Y246 WeakPolarHBondContact CE1-CD2 3.16Å; H214-Y246 AromaticContact CE1-CE2 3.83Å; H214-Y246 AromaticContact CE1-CG 3.54Å; H214-Y246 AromaticContact ND1-CD2 3.8Å; H214-Y246 AromaticContact ND1-CE2 3.93Å; K237-Y246 HydrophobicContact CB-CD1 4.49Å; K237-Y246 HydrophobicContact CB-CE1 3.85Å; K237-Y246 HydrophobicContact CD-CE1 4.39Å; K237-Y246 HydrophobicContact CG-CD1 4.43Å; K237-Y246 HydrophobicContact CG-CE1 4.11Å; T239-Y246 WeakPolarHBondContact CB-OH 3.42Å; T239-Y246 HydrophobicContact CG2-CE2 4.29Å; Q244-Y246 HydrophobicContact CB-CE2 4.23Å; Q244-Y246 HydrophobicContact CG-CD2 3.98Å; Q244-Y246 HydrophobicContact CG-CE1 4.23Å; Q244-Y246 HydrophobicContact CG-CE2 3.41Å; Q244-Y246 VanDerWaalsContact CG-CE2 3.41Å; Y246-E275 HydrophobicContact CD1-CB 3.93Å; Y246-E275 HydrophobicContact CE1-CB 4.05Å; Y246-G289 PolarHBondContact N-O 3.26Å; Y246-I290 HydrophobicContact CD2-CG1 4.33Å; Y246-F291 PolarHBondContact O-N 3.44Å
247Q96.2Very high93.7Very high13 Ų1342 Ų426%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-130.5123.9178.1-58.2-174.1-68.300110.2M245 F249 E273 R274 F291M245-Q247 HydrophobicContact CE-CG 3.69Å; M245-Q247 HydrophobicContact CG-CG 4.27Å; M245-Q247 HydrophobicContact SD-CG 4.24Å; Q247-F249 HydrophobicContact CB-CE2 3.9Å; Q247-F249 HydrophobicContact CB-CZ 4.25Å; Q247-E273 CarbonylContact O-C 3.5Å; Q247-E273 WeakPolarHBondContact O-CA 3.46Å; Q247-R274 HydrophobicContact CB-CB 4.34Å; Q247-R274 PolarHBondContact N-O 3.13Å; Q247-R274 PolarHBondContact O-N 3.32Å; Q247-F291 CarbonylContact C-O 3.56Å; Q247-F291 VanDerWaalsContact CA-O 3.31Å; Q247-F291 WeakPolarHBondContact CA-O 2.98Å; Q247-F291 HydrophobicContact CG-CB 4.21Å; Q247-F291 HydrophobicContact CG-CD2 4.39Å
248Y97.4Very high93.3Very high2 Ų244 Ų441%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-108115.1173.2-59.7-80.3000107.5H214 I216 L232 K237 V271 E273 I290 F291 V292 K293H214-Y248 PolarHBondContact CE1-OH 3.48Å; H214-Y248 AromaticContact NE2-CE2 3.51Å; H214-Y248 AromaticContact NE2-CZ 3.5Å; H214-Y248 PolarHBondContact NE2-OH 2.89Å; I216-Y248 HydrophobicContact CD1-CE1 4.36Å; I216-Y248 HydrophobicContact CD1-CE2 4.11Å; L232-Y248 HydrophobicContact CD1-CD1 4.09Å; L232-Y248 HydrophobicContact CD1-CG 4.34Å; L232-Y248 HydrophobicContact CD2-CD1 3.87Å; L232-Y248 HydrophobicContact CD2-CE1 3.93Å; K237-Y248 WeakPolarHBondContact CG-OH 3.33Å; Y248-V271 HydrophobicContact CD1-CG2 4.14Å; Y248-E273 HydrophobicContact CD1-CG 3.78Å; Y248-E273 HydrophobicContact CE1-CG 3.79Å; Y248-I290 HydrophobicContact CD2-CG2 4.27Å; Y248-I290 HydrophobicContact CE2-CG2 3.9Å; Y248-F291 PolarHBondContact N-O 2.92Å; Y248-V292 HydrophobicContact CD2-CG2 4.05Å; Y248-K293 PolarHBondContact O-N 3.41Å
249F97.2Very high92.7Very high77 Ų7741 Ų4134%0.33820%0.201SC..EExtended strand (participates in β ladder)trans-96.5110.6172.9-60.9-88.4000107.8Q247 V271 T272 R274 K293Q247-F249 HydrophobicContact CB-CE2 3.9Å; Q247-F249 HydrophobicContact CB-CZ 4.25Å; F249-V271 CarbonylContact O-C 3.58Å; F249-V271 WeakPolarHBondContact O-CA 3.42Å; F249-T272 PolarHBondContact N-O 2.93Å; F249-T272 PolarHBondContact O-N 3.23Å; F249-R274 HydrophobicContact CE2-CB 4.01Å; F249-K293 CarbonylContact C-O 3.52Å; F249-K293 WeakPolarHBondContact CA-O 3.48Å; F249-K293 HydrophobicContact CD1-CB 4.23Å; F249-K293 HydrophobicContact CD1-CD 4.17Å; F249-K293 HydrophobicContact CE1-CD 3.75Å
250I96.4Very high92Very high3 Ų347 Ų472%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-110130.3-174.5-63.1-175.9000109.3L219 F221 L232 V252 F269 S270 V271 V292 K293 Y294 D295L219-I250 HydrophobicContact CD2-CD1 3.5Å; F221-I250 HydrophobicContact CE2-CD1 4.11Å; F221-I250 HydrophobicContact CE2-CG2 3.84Å; F221-I250 HydrophobicContact CZ-CD1 4.16Å; F221-I250 HydrophobicContact CZ-CG2 4.06Å; L232-I250 HydrophobicContact CD1-CD1 3.9Å; I250-V252 HydrophobicContact CG2-CG2 3.84Å; I250-F269 HydrophobicContact CD1-CD2 4.34Å; I250-F269 HydrophobicContact CD1-CE2 4.18Å; I250-F269 HydrophobicContact CG1-CD2 4.4Å; I250-F269 HydrophobicContact CG2-CB 3.61Å; I250-F269 HydrophobicContact CG2-CD2 3.58Å; I250-F269 HydrophobicContact CG2-CE2 4.4Å; I250-F269 HydrophobicContact CG2-CG 3.76Å; I250-S270 VanDerWaalsContact CA-O 3.3Å; I250-S270 WeakPolarHBondContact CA-O 3.49Å; I250-V271 HydrophobicContact CG1-CB 4.47Å; I250-V271 HydrophobicContact CG1-CG2 3.98Å; I250-V292 HydrophobicContact CD1-CG1 3.48Å; I250-V292 VanDerWaalsContact CD1-CG1 3.48Å; I250-V292 HydrophobicContact CG1-CG1 4.31Å; I250-K293 PolarHBondContact N-O 2.88Å; I250-Y294 CarbonylContact O-C 3.52Å; I250-Y294 VanDerWaalsContact O-CA 3.28Å; I250-Y294 WeakPolarHBondContact O-CA 3.28Å; I250-D295 PolarHBondContact O-N 2.83Å
251T95.6Very high91.3Very high62 Ų6244.4 Ų44.438%0.3823%0.227SC..EExtended strand (participates in β ladder)trans-109.2111.6168.5-56.20000108.7F269 S270 D295T251-F269 WeakPolarHBondContact O-CA 3.46Å; T251-F269 WeakPolarHBondContact O-CB 3.38Å; T251-S270 PolarHBondContact N-O 2.85Å; T251-S270 PolarHBondContact O-N 2.77Å; T251-S270 VanDerWaalsContact O-N 3.1Å; T251-D295 CarbonylContact C-O 3.54Å; T251-D295 WeakPolarHBondContact CA-O 3.35Å
252V94.5Very high90.7Very high0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-89.1127.9-176.6-173.70000109.5F221 I250 H267 D295 S297F221-V252 HydrophobicContact CB-CG1 3.97Å; F221-V252 HydrophobicContact CD1-CG1 4.41Å; F221-V252 HydrophobicContact CD1-CG2 3.91Å; F221-V252 HydrophobicContact CD2-CG2 4.08Å; F221-V252 HydrophobicContact CE1-CG2 3.89Å; F221-V252 HydrophobicContact CE2-CG2 4.07Å; F221-V252 HydrophobicContact CG-CG1 4.1Å; F221-V252 HydrophobicContact CG-CG2 4Å; F221-V252 HydrophobicContact CZ-CG2 3.97Å; I250-V252 HydrophobicContact CG2-CG2 3.84Å; V252-H267 HydrophobicContact CG1-CB 3.59Å; V252-D295 PolarHBondContact N-O 2.76Å; V252-S297 WeakPolarHBondContact O-CB 3.31Å; V252-S297 PolarHBondContact O-N 2.86Å
253V93.6Very high90.5Very high34 Ų3444.1 Ų44.121%0.20623%0.233CC..EExtended strand (participates in β ladder)trans-117.9110.6-179.3-178.50000108.7T255 H267 Q268 V301V253-T255 PolarHBondContact O-N 2.68Å; V253-T255 PolarHBondContact O-OG1 3.41Å; V253-H267 WeakPolarHBondContact O-CA 3.45Å; V253-Q268 PolarHBondContact N-O 2.79Å; V253-Q268 PolarHBondContact O-N 2.81Å; V253-V301 HydrophobicContact CG1-CG2 3.91Å
254P93.5Very high90.3Very high8 Ų841.4 Ų41.45%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-54.5130.7174.5-24.333.5000111.5D67 M300 V301D67-P254 WeakPolarHBondContact OD2-CG 3.15Å; P254-M300 HydrophobicContact CB-CB 4.37Å; P254-M300 HydrophobicContact CB-CG 4.12Å; P254-M300 CarbonylContact O-C 3.39Å; P254-M300 WeakPolarHBondContact O-CA 3.3Å; P254-V301 PolarHBondContact O-N 2.74Å
255T90.3Very high90.1Very high1 Ų145.1 Ų45.11%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-132.2112.3-177.3-57.80000110.9V253 T266 Q268 V301 V303V253-T255 PolarHBondContact O-N 2.68Å; V253-T255 PolarHBondContact O-OG1 3.41Å; T255-T266 CarbonylContact C-O 3.59Å; T255-T266 WeakPolarHBondContact CA-O 3.45Å; T255-T266 PolarHBondContact N-O 3.4Å; T255-T266 CarbonylContact O-C 3.45Å; T255-T266 WeakPolarHBondContact O-CA 3.37Å; T255-T266 PolarHBondContact O-N 2.99Å; T255-T266 PolarHBondContact O-OG1 3.01Å; T255-Q268 VanDerWaalsContact CG2-NE2 3.31Å; T255-Q268 PolarHBondContact OG1-NE2 2.79Å; T255-V301 CarbonylContact C-O 3.52Å; T255-V301 WeakPolarHBondContact CA-O 3.38Å; T255-V301 HydrophobicContact CG2-CB 4.42Å; T255-V303 HydrophobicContact CG2-CG2 3.74Å
256K90.1Very high89.8Confident88 Ų8845 Ų4538%0.38324%0.239SC..EExtended strand (participates in β ladder)trans-87.9114.3175.1-65.4-164167.9178.80109.8D265 M300 V301 T302 V303K256-D265 WeakPolarHBondContact CG-OD1 3.37Å; K256-M300 HydrophobicContact CD-CE 4.2Å; K256-M300 HydrophobicContact CD-SD 3.7Å; K256-M300 VanDerWaalsContact CE-SD 3.55Å; K256-M300 HydrophobicContact CG-CG 4.46Å; K256-M300 HydrophobicContact CG-SD 3.78Å; K256-V301 PolarHBondContact N-O 2.94Å; K256-T302 HydrophobicContact CB-CG2 4.48Å; K256-V303 PolarHBondContact O-N 2.84Å
257L87.6Confident89.6Confident2 Ų245.8 Ų45.81%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-93.6120.2175.6-172.374.7000108.8Y144 V225 T259 I262 S263 A264 V303Y144-L257 HydrophobicContact CD1-CD1 4.4Å; Y144-L257 HydrophobicContact CE1-CD1 3.93Å; Y144-L257 HydrophobicContact CE1-CD2 4.39Å; V225-L257 HydrophobicContact CG1-CD2 4.09Å; L257-T259 HydrophobicContact CD1-CG2 4Å; L257-T259 HydrophobicContact CD2-CG2 4.46Å; L257-T259 HydrophobicContact CG-CG2 4.03Å; L257-I262 HydrophobicContact CD2-CG2 4.36Å; L257-S263 VanDerWaalsContact O-CA 3.25Å; L257-S263 WeakPolarHBondContact O-CA 3.4Å; L257-A264 PolarHBondContact N-O 2.79Å; L257-A264 PolarHBondContact O-N 2.88Å; L257-V303 HydrophobicContact CD1-CB 4.11Å; L257-V303 HydrophobicContact CD1-CG1 3.94Å
258N87.9Confident89.3Confident93 Ų9347.6 Ų47.650%0.49725%0.251SS..EExtended strand (participates in β ladder)trans-126.294.2174.4-172.114.3000109.8V303 S304 E305N258-V303 PolarHBondContact N-O 2.82Å; N258-S304 WeakPolarHBondContact O-CA 3.45Å; N258-E305 PolarHBondContact O-N 2.8Å; N258-E305 VanDerWaalsContact O-N 3.07Å
259T83.1Confident89.1Confident19 Ų1948.4 Ų48.412%0.11726%0.255CS..  trans-115.5167.1177.363.10000110.3M60 L257 L261 I262 E305M60-T259 HydrophobicContact CE-CG2 4.05Å; L257-T259 HydrophobicContact CD1-CG2 4Å; L257-T259 HydrophobicContact CD2-CG2 4.46Å; L257-T259 HydrophobicContact CG-CG2 4.03Å; T259-L261 PolarHBondContact O-N 3.23Å; T259-L261 VanDerWaalsContact O-N 3.14Å; T259-I262 PolarHBondContact N-O 2.76Å; T259-I262 PolarHBondContact OG1-N 3.35Å; T259-I262 PolarHBondContact OG1-O 2.84Å; T259-E305 HydrophobicContact CG2-CB 4.4Å
260H78.5Confident88.9Confident142 Ų14248 Ų4866%0.65726%0.261SS*.SBendtrans-60.8-23.5177.9-78.1-66.5000114.1E305H260-E305 IonicContact CD2-OE2 2.72Å; H260-E305 PolarHBondContact CD2-OE2 2.88Å; H260-E305 IonicContact CG-OE2 3.73Å; H260-E305 PolarHBondContact N-OE2 2.77Å
261L77.5Confident88.8Confident152 Ų15249.2 Ų49.280%0.79627%0.269SS*.SBendtrans-103.3-39-176.1-162.780.3000112.8T259T259-L261 PolarHBondContact O-N 3.23Å; T259-L261 VanDerWaalsContact O-N 3.14Å
262I79.7Confident88.8Confident44 Ų4450.8 Ų50.823%0.22628%0.279CS..  trans-133.6130.2-169.7-60.3171000109.4L148 L257 T259 A264L148-I262 HydrophobicContact CD2-CD1 3.73Å; L257-I262 HydrophobicContact CD2-CG2 4.36Å; T259-I262 PolarHBondContact N-O 2.76Å; T259-I262 PolarHBondContact OG1-N 3.35Å; T259-I262 PolarHBondContact OG1-O 2.84Å; I262-A264 HydrophobicContact CG2-CB 4.06Å
263S86.7Confident88.8Confident97 Ų9754.7 Ų54.768%0.67830%0.297SS*.EExtended strand (participates in β ladder)trans-117.5117165.3-177.20000108L257L257-S263 VanDerWaalsContact O-CA 3.25Å; L257-S263 WeakPolarHBondContact O-CA 3.4Å
264A86.4Confident88.9Confident6 Ų659.1 Ų59.15%0.0531%0.31CS..EExtended strand (participates in β ladder)trans-148144.5-175.400000111.9V225 L257 I262 T266V225-A264 HydrophobicContact CG2-CB 3.6Å; L257-A264 PolarHBondContact N-O 2.79Å; L257-A264 PolarHBondContact O-N 2.88Å; I262-A264 HydrophobicContact CG2-CB 4.06Å; A264-T266 HydrophobicContact CB-CG2 4.19Å; A264-T266 PolarHBondContact O-N 3Å
265D87.9Confident89Confident91 Ų9164.3 Ų64.349%0.48733%0.333SS..EExtended strand (participates in β ladder)trans-92.798.5173.7-71-29.4000109.1E223 K256E223-D265 PolarHBondContact N-O 3.3Å; K256-D265 WeakPolarHBondContact CG-OD1 3.37Å
266T89.5Confident89.2Confident3 Ų367.9 Ų67.92%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-106.4170.8-178.666.10000110.3V225 I228 T255 A264V225-T266 HydrophobicContact CB-CG2 4.14Å; V225-T266 HydrophobicContact CG2-CG2 3.35Å; I228-T266 HydrophobicContact CD1-CG2 4.11Å; T255-T266 CarbonylContact C-O 3.59Å; T255-T266 WeakPolarHBondContact CA-O 3.45Å; T255-T266 PolarHBondContact N-O 3.4Å; T255-T266 CarbonylContact O-C 3.45Å; T255-T266 WeakPolarHBondContact O-CA 3.37Å; T255-T266 PolarHBondContact O-N 2.99Å; T255-T266 PolarHBondContact O-OG1 3.01Å; A264-T266 HydrophobicContact CB-CG2 4.19Å; A264-T266 PolarHBondContact O-N 3Å
267H91.6Very high89.3Confident25 Ų2566.5 Ų66.512%0.11635%0.346CS..EExtended strand (participates in β ladder)trans-132.5135.4169.8-57.166.7000109.4F221 G222 V252 V253F221-H267 HydrophobicContact CB-CB 3.71Å; F221-H267 WeakPolarHBondContact O-CB 3.15Å; F221-H267 PolarHBondContact O-N 2.78Å; F221-H267 VanDerWaalsContact O-N 3.13Å; F221-H267 PolarHBondContact O-ND1 2.69Å; G222-H267 WeakPolarHBondContact CA-ND1 3.45Å; V252-H267 HydrophobicContact CG1-CB 3.59Å; V253-H267 WeakPolarHBondContact O-CA 3.45Å
268Q90.7Very high89.5Confident51 Ų5166.7 Ų66.724%0.23835%0.347CS..EExtended strand (participates in β ladder)trans-93.7157.8167.3-68.6176.683.400108.2V253 T255V253-Q268 PolarHBondContact N-O 2.79Å; V253-Q268 PolarHBondContact O-N 2.81Å; T255-Q268 VanDerWaalsContact CG2-NE2 3.31Å; T255-Q268 PolarHBondContact OG1-NE2 2.79Å
269F92.9Very high89.5Confident18 Ų1866 Ų668%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-146.5157.6173.267.2-91.7000112.5L219 F221 N230 P231 L232 I250 T251L219-F269 HydrophobicContact CD2-CZ 4.41Å; L219-F269 WeakPolarHBondContact O-CE1 3.44Å; F221-F269 AromaticContact CD2-CD1 3.65Å; F221-F269 HydrophobicContact CD2-CD1 3.65Å; F221-F269 AromaticContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CE1 3.97Å; F221-F269 HydrophobicContact CD2-CG 4.25Å; F221-F269 AromaticContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CD1 3.95Å; F221-F269 HydrophobicContact CE2-CE1 4.12Å; F221-F269 HydrophobicContact CE2-CG 4.23Å; N230-F269 HydrophobicContact CB-CE1 3.64Å; N230-F269 HydrophobicContact CB-CZ 3.74Å; P231-F269 HydrophobicContact CB-CE2 4.18Å; P231-F269 HydrophobicContact CG-CD2 4.23Å; P231-F269 HydrophobicContact CG-CE2 4.07Å; P231-F269 WeakPolarHBondContact CG-O 3.48Å; L232-F269 HydrophobicContact CD1-CE2 4.32Å; L232-F269 HydrophobicContact CG-CE2 4.24Å; I250-F269 HydrophobicContact CD1-CD2 4.34Å; I250-F269 HydrophobicContact CD1-CE2 4.18Å; I250-F269 HydrophobicContact CG1-CD2 4.4Å; I250-F269 HydrophobicContact CG2-CB 3.61Å; I250-F269 HydrophobicContact CG2-CD2 3.58Å; I250-F269 HydrophobicContact CG2-CE2 4.4Å; I250-F269 HydrophobicContact CG2-CG 3.76Å; T251-F269 WeakPolarHBondContact O-CA 3.46Å; T251-F269 WeakPolarHBondContact O-CB 3.38Å
270S92.7Very high89.6Confident68 Ų6870.4 Ų70.448%0.47636%0.362SS..EExtended strand (participates in β ladder)trans-109.1154.1166.465.70000109.4I250 T251I250-S270 VanDerWaalsContact CA-O 3.3Å; I250-S270 WeakPolarHBondContact CA-O 3.49Å; T251-S270 PolarHBondContact N-O 2.85Å; T251-S270 PolarHBondContact O-N 2.77Å; T251-S270 VanDerWaalsContact O-N 3.1Å
271V94.7Very high89.9Confident30 Ų3068.3 Ų68.318%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-130.2139.7-179.271.90000111.7P231 L232 Y248 F249 I250 E273P231-V271 HydrophobicContact CB-CG1 4Å; L232-V271 HydrophobicContact CD1-CG2 3.98Å; L232-V271 HydrophobicContact CD2-CB 4.47Å; L232-V271 HydrophobicContact CD2-CG1 4.02Å; L232-V271 HydrophobicContact CD2-CG2 4.02Å; L232-V271 HydrophobicContact CG-CB 4.38Å; L232-V271 HydrophobicContact CG-CG1 4.24Å; L232-V271 HydrophobicContact CG-CG2 4.13Å; Y248-V271 HydrophobicContact CD1-CG2 4.14Å; F249-V271 CarbonylContact O-C 3.58Å; F249-V271 WeakPolarHBondContact O-CA 3.42Å; I250-V271 HydrophobicContact CG1-CB 4.47Å; I250-V271 HydrophobicContact CG1-CG2 3.98Å; V271-E273 HydrophobicContact CG2-CG 4.48Å
272T95.6Very high90.4Very high94 Ų9464.7 Ų64.758%0.57736%0.362SS*.EExtended strand (participates in β ladder)trans-122131.5166-57.50000109F249F249-T272 PolarHBondContact N-O 2.93Å; F249-T272 PolarHBondContact O-N 3.23Å
273E95.4Very high90.5Very high83 Ų8365 Ų6539%0.38838%0.376SS..EExtended strand (participates in β ladder)trans-105.8140-175.6-55.6-179.3-170.500110.9K237 Q247 Y248 V271K237-E273 WeakPolarHBondContact CE-OE2 3.41Å; K237-E273 IonicContact NZ-OE2 3Å; K237-E273 PolarHBondContact NZ-OE2 3.38Å; Q247-E273 CarbonylContact O-C 3.5Å; Q247-E273 WeakPolarHBondContact O-CA 3.46Å; Y248-E273 HydrophobicContact CD1-CG 3.78Å; Y248-E273 HydrophobicContact CE1-CG 3.79Å; V271-E273 HydrophobicContact CG2-CG 4.48Å
274R95.6Very high90.4Very high127 Ų12761.8 Ų61.848%0.47935%0.353SS..EExtended strand (participates in β ladder)trans-136.4128.6171-172.617484163.16.1110.2Q247 F249Q247-R274 HydrophobicContact CB-CB 4.34Å; Q247-R274 PolarHBondContact N-O 3.13Å; Q247-R274 PolarHBondContact O-N 3.32Å; F249-R274 HydrophobicContact CE2-CB 4.01Å
275E94.8Very high90.4Very high116 Ų11667.3 Ų67.354%0.54238%0.378SS..EExtended strand (participates in β ladder)trans-121.2140.2176.164.1-174.1-169.500110.5M245 Y246M245-E275 WeakPolarHBondContact O-CA 3.45Å; Y246-E275 HydrophobicContact CD1-CB 3.93Å; Y246-E275 HydrophobicContact CE1-CB 4.05Å
276R93.6Very high90.2Very high76 Ų7664.4 Ų64.429%0.28737%0.37SS..EExtended strand (participates in β ladder)trans-154.1153.4169.961.4167.5-173.71283.1111.6M245 I278 S284 H285M245-R276 HydrophobicContact CB-CG 4.4Å; M245-R276 HydrophobicContact CE-CG 3.47Å; M245-R276 VanDerWaalsContact CE-CG 3.47Å; M245-R276 PolarHBondContact N-O 2.81Å; M245-R276 PolarHBondContact O-N 3.05Å; R276-I278 HydrophobicContact CG-CD1 4.42Å; R276-S284 PolarHBondContact NH1-OG 2.95Å; R276-S284 VanDerWaalsContact NH1-OG 3.09Å; R276-H285 PolarHBondContact NH1-O 3.05Å; R276-H285 PolarHBondContact NH2-O 3.1Å
277V92.9Very high90.2Very high60 Ų6068.8 Ų68.836%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-86.4133.9170.4-175.80000109.3N241 S284N241-V277 HydrophobicContact CB-CG1 4.4Å; N241-V277 HydrophobicContact CB-CG2 4.34Å; V277-S284 PolarHBondContact O-OG 2.77Å
278I90.9Very high90.1Very high5 Ų568.4 Ų68.43%0.02640%0.396CS..  trans-86124.8173.6-54.8-54.1000108.9N243 M245 R276 S284 G286N243-I278 HydrophobicContact CB-CB 4.27Å; N243-I278 WeakPolarHBondContact CB-O 3.43Å; N243-I278 WeakPolarHBondContact O-CB 3.3Å; N243-I278 PolarHBondContact O-N 2.9Å; M245-I278 HydrophobicContact CB-CD1 3.98Å; M245-I278 HydrophobicContact CB-CG1 4.05Å; M245-I278 HydrophobicContact SD-CD1 4.2Å; R276-I278 HydrophobicContact CG-CD1 4.42Å; I278-S284 WeakPolarHBondContact CG2-O 3.41Å; I278-G286 WeakPolarHBondContact CG2-O 3.36Å
279N88.4Confident90.3Very high78 Ų7866 Ų6642%0.41739%0.385SS..BIsolated β-bridgetrans-144.698.2177.2-175.5-12.8000109.2A281 A282 G283 S284N279-A281 PolarHBondContact O-N 3.47Å; N279-A281 WeakPolarHBondContact OD1-CB 3.35Å; N279-A281 PolarHBondContact OD1-N 2.88Å; N279-A282 HydrophobicContact CB-CB 4.1Å; N279-A282 PolarHBondContact O-N 3.02Å; N279-A282 VanDerWaalsContact O-N 3.15Å; N279-A282 PolarHBondContact OD1-N 2.96Å; N279-G283 PolarHBondContact O-N 2.82Å; N279-S284 CarbonylContact C-O 3.43Å; N279-S284 VanDerWaalsContact C-O 3.24Å; N279-S284 PolarHBondContact N-O 2.85Å; N279-S284 CarbonylContact O-C 3.57Å; N279-S284 WeakPolarHBondContact O-CA 3.44Å; N279-S284 WeakPolarHBondContact O-CB 3.43Å; N279-S284 PolarHBondContact O-N 2.04Å
280H85.9Confident90.4Very high112 Ų11265.2 Ų65.252%0.51938%0.381SS..G310 helixtrans-61.7-29.8-178.9-67.180.8000112.7G283 H285H280-G283 PolarHBondContact O-N 2.8Å; H280-H285 AromaticContact CD2-ND1 3.43Å; H280-H285 PolarHBondContact CD2-ND1 3Å
281A85.6Confident90.6Very high99 Ų9963 Ų6382%0.81836%0.363SS*.G310 helixtrans-74.6-28178.300000112.7N279N279-A281 PolarHBondContact O-N 3.47Å; N279-A281 WeakPolarHBondContact OD1-CB 3.35Å; N279-A281 PolarHBondContact OD1-N 2.88Å
282A86.3Confident90.6Very high76 Ų7662 Ų6263%0.62836%0.357SS*.G310 helixtrans-9412.9176.800000113.2N279 S284N279-A282 HydrophobicContact CB-CB 4.1Å; N279-A282 PolarHBondContact O-N 3.02Å; N279-A282 VanDerWaalsContact O-N 3.15Å; N279-A282 PolarHBondContact OD1-N 2.96Å; A282-S284 VanDerWaalsContact C-N 3.28Å; A282-S284 PolarHBondContact O-N 2.9Å
283G82.9Confident90.6Very high51 Ų5161.3 Ų61.353%0.52635%0.346SS..THydrogen-bonded Turntrans775-178.100000115.2N279 H280 H285N279-G283 PolarHBondContact O-N 2.82Å; H280-G283 PolarHBondContact O-N 2.8Å; G283-H285 PolarHBondContact O-CD2 2.96Å; G283-H285 PolarHBondContact O-N 2.74Å; G283-H285 VanDerWaalsContact O-N 3.17Å
284S84.9Confident90.6Very high29 Ų2957.6 Ų57.620%0.20333%0.329CS..BIsolated β-bridgetrans-86.681.8174.2-177.60000109.6R276 V277 I278 N279 A282R276-S284 PolarHBondContact NH1-OG 2.95Å; R276-S284 VanDerWaalsContact NH1-OG 3.09Å; V277-S284 PolarHBondContact O-OG 2.77Å; I278-S284 WeakPolarHBondContact CG2-O 3.41Å; N279-S284 CarbonylContact C-O 3.43Å; N279-S284 VanDerWaalsContact C-O 3.24Å; N279-S284 PolarHBondContact N-O 2.85Å; N279-S284 CarbonylContact O-C 3.57Å; N279-S284 WeakPolarHBondContact O-CA 3.44Å; N279-S284 WeakPolarHBondContact O-CB 3.43Å; N279-S284 PolarHBondContact O-N 2.04Å; A282-S284 VanDerWaalsContact C-N 3.28Å; A282-S284 PolarHBondContact O-N 2.9Å
285H85.4Confident90.6Very high121 Ų12155.6 Ų55.656%0.5633%0.328SS*.  trans-78.1146.8174.6-60-70.2000111.5R276 H280 G283R276-H285 PolarHBondContact NH1-O 3.05Å; R276-H285 PolarHBondContact NH2-O 3.1Å; H280-H285 AromaticContact CD2-ND1 3.43Å; H280-H285 PolarHBondContact CD2-ND1 3Å; G283-H285 PolarHBondContact O-CD2 2.96Å; G283-H285 PolarHBondContact O-N 2.74Å; G283-H285 VanDerWaalsContact O-N 3.17Å
286G84.9Confident90.5Very high31 Ų3151.6 Ų51.632%0.3231%0.311SS..SBendtrans155.8179176.300000112.6I278I278-G286 WeakPolarHBondContact CG2-O 3.36Å
287V87.6Confident90.4Very high94 Ų9449.4 Ų49.457%0.5731%0.307SS*.  trans-104.7129.6176-177.50000108.3T187 M245 F291T187-V287 HydrophobicContact CG2-CG1 4.44Å; M245-V287 WeakPolarHBondContact CG-O 3.47Å; V287-F291 HydrophobicContact CB-CZ 4.21Å; V287-F291 HydrophobicContact CG1-CZ 4.26Å; V287-F291 WeakPolarHBondContact O-CE2 3.4Å
288S91.4Very high90.4Very high17 Ų1750.1 Ų50.112%0.11932%0.315CS..  trans-74.1140.4172.5560000110.1F212 Q244F212-S288 VanDerWaalsContact CE2-CB 3.46Å; F212-S288 WeakPolarHBondContact CE2-OG 3.43Å; F212-S288 WeakPolarHBondContact CZ-O 3.5Å; Q244-S288 WeakPolarHBondContact O-CA 3.18Å; Q244-S288 WeakPolarHBondContact O-CB 3.48Å
289G93.7Very high90.4Very high0 Ų054.3 Ų54.30%034%0.337CS..EExtended strand (participates in β ladder)trans158.4178.8-169.900000113.3I186 F212 Q244 M245 Y246I186-G289 WeakPolarHBondContact O-CA 3.43Å; F212-G289 VanDerWaalsContact CE1-CA 3.49Å; Q244-G289 PolarHBondContact O-N 3.12Å; Q244-G289 VanDerWaalsContact O-N 3.11Å; M245-G289 WeakPolarHBondContact CA-O 3.39Å; Y246-G289 PolarHBondContact N-O 3.26Å
290I96Very high90.6Very high2 Ų251 Ų511%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-110.7121.3174.1-56157.3000106.9V82 H185 I186 F212 H214 Y246 Y248V82-I290 HydrophobicContact CG1-CD1 4.32Å; V82-I290 HydrophobicContact CG2-CD1 3.87Å; H185-I290 CarbonylContact C-O 3.59Å; H185-I290 WeakPolarHBondContact CA-O 3.41Å; I186-I290 HydrophobicContact CB-CB 4.22Å; I186-I290 PolarHBondContact N-O 2.87Å; I186-I290 PolarHBondContact O-N 3.43Å; F212-I290 HydrophobicContact CB-CG1 4.5Å; F212-I290 HydrophobicContact CD1-CG1 4.44Å; H214-I290 HydrophobicContact CB-CD1 3.58Å; H214-I290 VanDerWaalsContact CG-CD1 3.47Å; Y246-I290 HydrophobicContact CD2-CG1 4.33Å; Y248-I290 HydrophobicContact CD2-CG2 4.27Å; Y248-I290 HydrophobicContact CE2-CG2 3.9Å
291F95.6Very high90.9Very high22 Ų2246.2 Ų46.210%0.09630%0.298CS..EExtended strand (participates in β ladder)trans-122121.3-175.6-60.4-91000109.4H185 T187 M245 Y246 Q247 Y248 V287H185-F291 HydrophobicContact CB-CD1 3.4Å; H185-F291 VanDerWaalsContact CB-CD1 3.4Å; H185-F291 HydrophobicContact CB-CE1 3.63Å; H185-F291 HydrophobicContact CB-CG 4.34Å; T187-F291 HydrophobicContact CG2-CE1 4.24Å; T187-F291 HydrophobicContact CG2-CZ 3.96Å; M245-F291 HydrophobicContact CG-CD2 3.8Å; M245-F291 HydrophobicContact CG-CE2 3.69Å; M245-F291 HydrophobicContact SD-CD2 4.41Å; M245-F291 HydrophobicContact SD-CE2 4.26Å; Y246-F291 PolarHBondContact O-N 3.44Å; Q247-F291 CarbonylContact C-O 3.56Å; Q247-F291 VanDerWaalsContact CA-O 3.31Å; Q247-F291 WeakPolarHBondContact CA-O 2.98Å; Q247-F291 HydrophobicContact CG-CB 4.21Å; Q247-F291 HydrophobicContact CG-CD2 4.39Å; Y248-F291 PolarHBondContact N-O 2.92Å; V287-F291 HydrophobicContact CB-CZ 4.21Å; V287-F291 HydrophobicContact CG1-CZ 4.26Å; V287-F291 WeakPolarHBondContact O-CE2 3.4Å
292V96.1Very high91.2Very high9 Ų942.6 Ų42.66%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-109.495.3175.2-178.30000107.3N183 L184 L219 Y248 I250N183-V292 WeakPolarHBondContact CA-O 3.46Å; L184-V292 HydrophobicContact CB-CB 4.11Å; L184-V292 HydrophobicContact CD2-CB 4.29Å; L184-V292 HydrophobicContact CD2-CG2 4.4Å; L184-V292 HydrophobicContact CG-CB 4.37Å; L184-V292 PolarHBondContact N-O 3.48Å; L184-V292 PolarHBondContact O-N 3.24Å; L219-V292 HydrophobicContact CD2-CG1 4.25Å; Y248-V292 HydrophobicContact CD2-CG2 4.05Å; I250-V292 HydrophobicContact CD1-CG1 3.48Å; I250-V292 VanDerWaalsContact CD1-CG1 3.48Å; I250-V292 HydrophobicContact CG1-CG1 4.31Å
293K95.7Very high91.3Very high79 Ų7939 Ų3934%0.34324%0.236SC..EExtended strand (participates in β ladder)trans-90.4116.7176.9-65.3-174.6174.8-162.20108.2G182 N183 Y248 F249 I250G182-K293 WeakPolarHBondContact O-CA 3.31Å; N183-K293 HydrophobicContact CB-CG 4.46Å; Y248-K293 PolarHBondContact O-N 3.41Å; F249-K293 CarbonylContact C-O 3.52Å; F249-K293 WeakPolarHBondContact CA-O 3.48Å; F249-K293 HydrophobicContact CD1-CB 4.23Å; F249-K293 HydrophobicContact CD1-CD 4.17Å; F249-K293 HydrophobicContact CE1-CD 3.75Å; I250-K293 PolarHBondContact N-O 2.88Å
294Y95.4Very high91.6Very high5 Ų537.3 Ų37.32%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-116.4144.2-179.660-91.4000110.5I76 I93 V177 V180 A181 G182 F221 I250I76-Y294 HydrophobicContact CD1-CD1 4.28Å; I76-Y294 HydrophobicContact CD1-CE1 3.69Å; I76-Y294 HydrophobicContact CD1-CE2 4.28Å; I93-Y294 HydrophobicContact CG2-CE1 4.44Å; V177-Y294 HydrophobicContact CG2-CE2 4.34Å; V180-Y294 WeakPolarHBondContact O-CE2 3.43Å; A181-Y294 CarbonylContact C-O 3.47Å; A181-Y294 VanDerWaalsContact CA-O 3.28Å; A181-Y294 WeakPolarHBondContact CA-O 3.42Å; G182-Y294 PolarHBondContact N-O 2.87Å; G182-Y294 PolarHBondContact O-N 3.48Å; F221-Y294 HydrophobicContact CE1-CD1 4.46Å; F221-Y294 HydrophobicContact CE1-CD2 4.48Å; F221-Y294 HydrophobicContact CE1-CG 4.11Å; F221-Y294 HydrophobicContact CZ-CG 4.46Å; I250-Y294 CarbonylContact O-C 3.52Å; I250-Y294 VanDerWaalsContact O-CA 3.28Å; I250-Y294 WeakPolarHBondContact O-CA 3.28Å
295D94.8Very high91.7Very high86 Ų8638.3 Ų38.346%0.4622%0.218SC..EExtended strand (participates in β ladder)trans-132.2142.2174.1-168.19.8000109.7A181 I250 T251 V252A181-D295 HydrophobicContact CB-CB 4.45Å; I250-D295 PolarHBondContact O-N 2.83Å; T251-D295 CarbonylContact C-O 3.54Å; T251-D295 WeakPolarHBondContact CA-O 3.35Å; V252-D295 PolarHBondContact N-O 2.76Å
296T92.4Very high91.8Very high32 Ų3235.6 Ų35.620%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-96.4124.6-176.354.30000110.3L74 K179L74-T296 HydrophobicContact CD2-CG2 4.18Å; K179-T296 HydrophobicContact CG-CG2 3.97Å
297S92.5Very high92Very high29 Ų2939.5 Ų39.520%0.20322%0.215CC..  trans-71.4146.8175.1-167.50000111.7V252 L299V252-S297 WeakPolarHBondContact O-CB 3.31Å; V252-S297 PolarHBondContact O-N 2.86Å; S297-L299 VanDerWaalsContact C-N 3.25Å; S297-L299 PolarHBondContact OG-N 2.79Å
298S91.2Very high92.1Very high76 Ų7635.4 Ų35.453%0.53119%0.189SC..SBendtrans-79.5-8.3170.256.20000113.4D67D67-S298 PolarHBondContact N-O 3.2Å
299L92.3Very high92.2Very high93 Ų9337 Ų3749%0.48720%0.204SC..EExtended strand (participates in β ladder)trans-90.8132.9174.7-63.3169.2000109.4S297S297-L299 VanDerWaalsContact C-N 3.25Å; S297-L299 PolarHBondContact OG-N 2.79Å
300M92.4Very high92.2Very high9 Ų942 Ų424%0.04423%0.23CC..EExtended strand (participates in β ladder)trans-113.3142.8173.8179.3-179.371.200109.4Y64 E65 D67 P254 K256Y64-M300 WeakPolarHBondContact CA-O 3.41Å; E65-M300 HydrophobicContact CB-CE 3.89Å; E65-M300 PolarHBondContact N-O 2.83Å; E65-M300 PolarHBondContact O-N 2.9Å; E65-M300 WeakPolarHBondContact OE2-CE 3.43Å; D67-M300 HydrophobicContact CB-CB 4.13Å; P254-M300 HydrophobicContact CB-CB 4.37Å; P254-M300 HydrophobicContact CB-CG 4.12Å; P254-M300 CarbonylContact O-C 3.39Å; P254-M300 WeakPolarHBondContact O-CA 3.3Å; K256-M300 HydrophobicContact CD-CE 4.2Å; K256-M300 HydrophobicContact CD-SD 3.7Å; K256-M300 VanDerWaalsContact CE-SD 3.55Å; K256-M300 HydrophobicContact CG-CG 4.46Å; K256-M300 HydrophobicContact CG-SD 3.78Å
301V91.4Very high92.1Very high10 Ų1044 Ų446%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-109.4120175.1-1750000109.5Y62 E63 Y64 V253 P254 T255 K256 V303Y62-V301 HydrophobicContact CD1-CG1 4.11Å; E63-V301 CarbonylContact O-C 3.59Å; E63-V301 WeakPolarHBondContact O-CA 3.35Å; Y64-V301 HydrophobicContact CD1-CG2 3.76Å; Y64-V301 HydrophobicContact CE1-CG2 3.68Å; V253-V301 HydrophobicContact CG1-CG2 3.91Å; P254-V301 PolarHBondContact O-N 2.74Å; T255-V301 CarbonylContact C-O 3.52Å; T255-V301 WeakPolarHBondContact CA-O 3.38Å; T255-V301 HydrophobicContact CG2-CB 4.42Å; K256-V301 PolarHBondContact N-O 2.94Å; V301-V303 HydrophobicContact CG1-CG2 3.97Å
302T91.4Very high92.1Very high23 Ų2350.5 Ų50.514%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-96.6117.8170.9-58.90000108.7E63 K256E63-T302 PolarHBondContact N-O 3.11Å; E63-T302 PolarHBondContact O-N 2.87Å; K256-T302 HydrophobicContact CB-CG2 4.48Å
303V88.8Confident92Very high1 Ų151.1 Ų51.11%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-104.9107.8179.3-177.70000108M60 Y62 T255 K256 L257 N258 V301M60-V303 HydrophobicContact CE-CG1 3.37Å; Y62-V303 HydrophobicContact CD1-CG1 4.43Å; Y62-V303 HydrophobicContact CD1-CG2 3.66Å; Y62-V303 HydrophobicContact CE1-CG1 4.03Å; Y62-V303 HydrophobicContact CE1-CG2 3.71Å; T255-V303 HydrophobicContact CG2-CG2 3.74Å; K256-V303 PolarHBondContact O-N 2.84Å; L257-V303 HydrophobicContact CD1-CB 4.11Å; L257-V303 HydrophobicContact CD1-CG1 3.94Å; N258-V303 PolarHBondContact N-O 2.82Å; V301-V303 HydrophobicContact CG1-CG2 3.97Å
304S89.1Confident92Very high16 Ų1651.4 Ų51.411%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-115136.6-179.460.30000111.9K61 N258K61-S304 PolarHBondContact N-O 3.19Å; K61-S304 PolarHBondContact O-N 3.48Å; N258-S304 WeakPolarHBondContact O-CA 3.45Å
305E87.3Confident92.1Very high50 Ų5056.3 Ų56.323%0.23431%0.313CS..EExtended strand (participates in β ladder)trans-80.1124.3170.4-172.4175.5-16700109.8T58 M60 N258 T259 H260T58-E305 VanDerWaalsContact CB-OE1 3.3Å; T58-E305 WeakPolarHBondContact CB-OE1 3.49Å; T58-E305 HydrophobicContact CG2-CG 4.17Å; T58-E305 WeakPolarHBondContact CG2-OE1 3.42Å; T58-E305 PolarHBondContact OG1-OE1 2.93Å; M60-E305 HydrophobicContact CE-CB 4.43Å; M60-E305 HydrophobicContact SD-CB 4.17Å; M60-E305 HydrophobicContact SD-CG 4.29Å; N258-E305 PolarHBondContact O-N 2.8Å; N258-E305 VanDerWaalsContact O-N 3.07Å; T259-E305 HydrophobicContact CG2-CB 4.4Å; H260-E305 IonicContact CD2-OE2 2.72Å; H260-E305 PolarHBondContact CD2-OE2 2.88Å; H260-E305 IonicContact CG-OE2 3.73Å; H260-E305 PolarHBondContact N-OE2 2.77Å
306Q87.1Confident92.1Very high64 Ų6458 Ų5830%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-119.5144.2179.6-64.7-161.2-11.600111.7T58 W59 K61T58-Q306 WeakPolarHBondContact CA-O 3.01Å; W59-Q306 HydrophobicContact CZ2-CB 4.22Å; W59-Q306 PolarHBondContact N-O 2.79Å; W59-Q306 PolarHBondContact O-N 3.36Å; K61-Q306 HydrophobicContact CB-CG 4.13Å
307H89.4Confident92.3Very high112 Ų11258.7 Ų58.752%0.51932%0.315SS..EExtended strand (participates in β ladder)trans-111.7156.4171.470.277.5000110.5T58 A309T58-H307 HydrophobicContact CG2-CB 4.4Å; H307-A309 PolarHBondContact O-N 2.96Å
308M90.5Very high92.4Very high8 Ų861.6 Ų61.64%0.03933%0.334CS..  trans-66.1130.9169.8175.9158.366.200110.1Y55 W59 R312 F313Y55-M308 HydrophobicContact CD2-CB 4.01Å; Y55-M308 HydrophobicContact CD2-CE 3.83Å; Y55-M308 HydrophobicContact CD2-CG 4.18Å; Y55-M308 VanDerWaalsContact CE2-O 3.27Å; Y55-M308 WeakPolarHBondContact CE2-O 3.26Å; Y55-M308 HydrophobicContact CG-CE 4.25Å; W59-M308 HydrophobicContact CH2-CB 3.84Å; W59-M308 HydrophobicContact CZ3-CB 3.91Å; M308-R312 HydrophobicContact CG-CB 4.05Å; M308-R312 HydrophobicContact CG-CG 4.32Å; M308-R312 HydrophobicContact SD-CB 4.15Å; M308-R312 HydrophobicContact SD-CG 3.92Å; M308-F313 HydrophobicContact CE-CB 3.68Å; M308-F313 HydrophobicContact CE-CD2 3.76Å; M308-F313 HydrophobicContact CE-CG 4.18Å; M308-F313 HydrophobicContact CG-CB 4.47Å; M308-F313 HydrophobicContact SD-CB 4.35Å
309A93.3Very high92.6Very high52 Ų5260.2 Ų60.243%0.4333%0.332SS..  trans-66142172.400000110.8H307 G311 R312 F313H307-A309 PolarHBondContact O-N 2.96Å; A309-G311 VanDerWaalsContact C-N 3.27Å; A309-G311 PolarHBondContact O-N 3.37Å; A309-R312 WeakPolarHBondContact O-CB 3.49Å; A309-R312 PolarHBondContact O-N 3.03Å; A309-F313 PolarHBondContact O-N 3.01Å; A309-F313 VanDerWaalsContact O-N 3.15Å
310L93Very high92.8Very high104 Ų10457.4 Ų57.455%0.54532%0.317SS..Hα-helixtrans-54.5-40.8-178.3-172.296000112.6R312 F313 L314L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 3.29Å; L310-F313 WeakPolarHBondContact O-CB 3.38Å; L310-F313 PolarHBondContact O-N 3.28Å; L310-L314 HydrophobicContact CD2-CD1 4.2Å; L310-L314 HydrophobicContact CG-CD1 4.36Å; L310-L314 WeakPolarHBondContact O-CG 3.19Å; L310-L314 PolarHBondContact O-N 3.39Å
311G95.1Very high92.8Very high45 Ų4560.2 Ų60.246%0.46434%0.335SS..Hα-helixtrans-61.3-40.3178.600000112.8A309 L314 V315A309-G311 VanDerWaalsContact C-N 3.27Å; A309-G311 PolarHBondContact O-N 3.37Å; G311-L314 PolarHBondContact O-N 2.88Å; G311-V315 WeakPolarHBondContact O-CG2 3.36Å; G311-V315 PolarHBondContact O-N 2.85Å; G311-V315 VanDerWaalsContact O-N 3.08Å
312R94.6Very high92.9Very high157 Ų15761.8 Ų61.859%0.59235%0.352SS*.Hα-helixtrans-67.1-39177.5-171.9179-69.1167.6-0.8111.3M308 A309 L310 R316M308-R312 HydrophobicContact CG-CB 4.05Å; M308-R312 HydrophobicContact CG-CG 4.32Å; M308-R312 HydrophobicContact SD-CB 4.15Å; M308-R312 HydrophobicContact SD-CG 3.92Å; A309-R312 WeakPolarHBondContact O-CB 3.49Å; A309-R312 PolarHBondContact O-N 3.03Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 3.29Å; R312-R316 VanDerWaalsContact O-CG 3.29Å; R312-R316 WeakPolarHBondContact O-CG 3.27Å; R312-R316 PolarHBondContact O-N 3.43Å; R312-R316 VanDerWaalsContact O-N 3.11Å
313F95.1Very high93.1Very high23 Ų2362.3 Ų62.310%0.10136%0.363CS..Hα-helixtrans-58.5-50.6172.8173.2-116.8000111.9E51 F52 Y55 M308 A309 L310 V315 R316 L317E51-F313 HydrophobicContact CG-CD2 4.14Å; E51-F313 HydrophobicContact CG-CE2 3.95Å; F52-F313 HydrophobicContact CD2-CZ 4.37Å; Y55-F313 HydrophobicContact CD2-CB 3.68Å; Y55-F313 HydrophobicContact CD2-CD1 4.49Å; Y55-F313 HydrophobicContact CD2-CD2 4.15Å; Y55-F313 AromaticContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CD2-CG 3.85Å; Y55-F313 HydrophobicContact CE2-CB 4.06Å; Y55-F313 HydrophobicContact CE2-CG 4.38Å; Y55-F313 HydrophobicContact CG-CB 4.27Å; Y55-F313 HydrophobicContact CG-CD1 4.44Å; Y55-F313 AromaticContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CD2 3.87Å; Y55-F313 HydrophobicContact CG-CE2 4.33Å; Y55-F313 AromaticContact CG-CG 3.92Å; Y55-F313 HydrophobicContact CG-CG 3.92Å; M308-F313 HydrophobicContact CE-CB 3.68Å; M308-F313 HydrophobicContact CE-CD2 3.76Å; M308-F313 HydrophobicContact CE-CG 4.18Å; M308-F313 HydrophobicContact CG-CB 4.47Å; M308-F313 HydrophobicContact SD-CB 4.35Å; A309-F313 PolarHBondContact O-N 3.01Å; A309-F313 VanDerWaalsContact O-N 3.15Å; L310-F313 WeakPolarHBondContact O-CB 3.38Å; L310-F313 PolarHBondContact O-N 3.28Å; F313-V315 PolarHBondContact O-N 3.15Å; F313-R316 PolarHBondContact O-N 3.05Å; F313-L317 HydrophobicContact CE1-CD2 4.5Å; F313-L317 HydrophobicContact CZ-CD2 4.35Å; F313-L317 PolarHBondContact O-N 3.29Å
314L95.6Very high93.3Very high85 Ų8563.6 Ų63.645%0.44537%0.369SS..Hα-helixtrans-62.3-42.5-178.3-68.2175.4000112.1L310 G311 R316 L317 C318L310-L314 HydrophobicContact CD2-CD1 4.2Å; L310-L314 HydrophobicContact CG-CD1 4.36Å; L310-L314 WeakPolarHBondContact O-CG 3.19Å; L310-L314 PolarHBondContact O-N 3.39Å; G311-L314 PolarHBondContact O-N 2.88Å; L314-R316 VanDerWaalsContact C-N 3.32Å; L314-R316 PolarHBondContact O-N 2.9Å; L314-L317 PolarHBondContact O-N 2.9Å; L314-C318 WeakPolarHBondContact O-CB 3.41Å; L314-C318 PolarHBondContact O-N 2.95Å; L314-C318 PolarHBondContact O-SG 3.09Å; L314-C318 VanDerWaalsContact O-SG 3.32Å
315V96.3Very high93.3Very high108 Ų10870.1 Ų70.166%0.65540%0.396SS*.Hα-helixtrans-60.3-43.3175.7171.60000111G311 F313 C318 G319G311-V315 WeakPolarHBondContact O-CG2 3.36Å; G311-V315 PolarHBondContact O-N 2.85Å; G311-V315 VanDerWaalsContact O-N 3.08Å; F313-V315 PolarHBondContact O-N 3.15Å; V315-C318 PolarHBondContact O-N 2.94Å; V315-G319 PolarHBondContact O-N 3.01Å
316R95.6Very high93.5Very high120 Ų12071.8 Ų71.845%0.45341%0.413SS..Hα-helixtrans-64.6-42.8177.3-72.3170.959.892.95.1111.8E51 R312 F313 L314 G319 I320E51-R316 IonicContact OE1-CZ 3.36Å; E51-R316 IonicContact OE1-NE 3.75Å; E51-R316 PolarHBondContact OE1-NE 3.45Å; E51-R316 IonicContact OE1-NH2 3.21Å; E51-R316 PolarHBondContact OE1-NH2 2.99Å; E51-R316 IonicContact OE2-CZ 3.65Å; E51-R316 IonicContact OE2-NE 3.49Å; E51-R316 IonicContact OE2-NH2 2.79Å; E51-R316 PolarHBondContact OE2-NH2 3.45Å; R312-R316 VanDerWaalsContact O-CG 3.29Å; R312-R316 WeakPolarHBondContact O-CG 3.27Å; R312-R316 PolarHBondContact O-N 3.43Å; R312-R316 VanDerWaalsContact O-N 3.11Å; F313-R316 PolarHBondContact O-N 3.05Å; L314-R316 VanDerWaalsContact C-N 3.32Å; L314-R316 PolarHBondContact O-N 2.9Å; R316-G319 PolarHBondContact O-N 2.82Å; R316-I320 WeakPolarHBondContact O-CG1 3.38Å; R316-I320 PolarHBondContact O-N 3.38Å
317L95.8Very high93.6Very high47 Ų4771.7 Ų71.725%0.24642%0.417CS..Hα-helixtrans-61.7-46.8177.1-169.866.2000112A48 F313 L314 G319 I320 V321A48-L317 HydrophobicContact CB-CD1 3.7Å; F313-L317 HydrophobicContact CE1-CD2 4.5Å; F313-L317 HydrophobicContact CZ-CD2 4.35Å; F313-L317 PolarHBondContact O-N 3.29Å; L314-L317 PolarHBondContact O-N 2.9Å; L317-G319 VanDerWaalsContact C-N 3.29Å; L317-G319 PolarHBondContact O-N 3.03Å; L317-I320 PolarHBondContact O-N 3.05Å; L317-V321 WeakPolarHBondContact O-CG2 3.47Å; L317-V321 PolarHBondContact O-N 2.82Å; L317-V321 VanDerWaalsContact O-N 3.09Å
318C95.9Very high93.5Very high90 Ų9067.8 Ų67.861%0.60840%0.401SS*.Hα-helixtrans-60.3-39.8174.3-69.80000111.7L314 V315 V321 G322L314-C318 WeakPolarHBondContact O-CB 3.41Å; L314-C318 PolarHBondContact O-N 2.95Å; L314-C318 PolarHBondContact O-SG 3.09Å; L314-C318 VanDerWaalsContact O-SG 3.32Å; V315-C318 PolarHBondContact O-N 2.94Å; C318-V321 PolarHBondContact O-N 3.01Å; C318-G322 PolarHBondContact O-N 3.04Å
319G95.9Very high93.1Very high47 Ų4769.2 Ų69.249%0.48542%0.418SS..Hα-helixtrans-61.7-41.4175.300000113.3V315 R316 L317 G323V315-G319 PolarHBondContact O-N 3.01Å; R316-G319 PolarHBondContact O-N 2.82Å; L317-G319 VanDerWaalsContact C-N 3.29Å; L317-G319 PolarHBondContact O-N 3.03Å; G319-G323 WeakPolarHBondContact O-CA 3.08Å; G319-G323 PolarHBondContact O-N 2.93Å
320I94.8Very high92.7Very high35 Ų3573 Ų7318%0.17943%0.428CS..Hα-helixtrans-64.4-50.4177.1-68.6164.5000110.7L47 E51 R316 L317 G323 I324L47-I320 HydrophobicContact CB-CG2 3.76Å; L47-I320 HydrophobicContact CD1-CG2 4Å; E51-I320 HydrophobicContact CB-CD1 4Å; E51-I320 HydrophobicContact CG-CD1 3.99Å; R316-I320 WeakPolarHBondContact O-CG1 3.38Å; R316-I320 PolarHBondContact O-N 3.38Å; L317-I320 PolarHBondContact O-N 3.05Å; I320-G323 PolarHBondContact O-N 2.98Å; I320-I324 HydrophobicContact CG2-CD1 4.09Å; I320-I324 WeakPolarHBondContact O-CG1 3.38Å; I320-I324 PolarHBondContact O-N 2.81Å
321V94.1Very high92.4Very high68 Ų6873.1 Ų73.141%0.41243%0.429SS..Hα-helixtrans-64.5-49.4-178.3175.80000110.7M44 L317 C318 G323 F325M44-V321 HydrophobicContact SD-CB 4.48Å; M44-V321 HydrophobicContact SD-CG1 4.06Å; L317-V321 WeakPolarHBondContact O-CG2 3.47Å; L317-V321 PolarHBondContact O-N 2.82Å; L317-V321 VanDerWaalsContact O-N 3.09Å; C318-V321 PolarHBondContact O-N 3.01Å; V321-G323 PolarHBondContact O-N 3.24Å; V321-F325 VanDerWaalsContact O-CB 3.27Å; V321-F325 WeakPolarHBondContact O-CB 3.43Å; V321-F325 PolarHBondContact O-N 2.73Å
322G93.3Very high91.8Very high42 Ų4274.7 Ų74.743%0.43342%0.424SS..Hα-helixtrans-64.3-39.7178.600000113C318 S326C318-G322 PolarHBondContact O-N 3.04Å; G322-S326 WeakPolarHBondContact O-CB 3.39Å; G322-S326 PolarHBondContact O-N 2.91Å
323G94Very high91.2Very high35 Ų3572.7 Ų72.736%0.36143%0.425SS..Hα-helixtrans-64.2-48178.400000112.7G319 I320 V321 T327G319-G323 WeakPolarHBondContact O-CA 3.08Å; G319-G323 PolarHBondContact O-N 2.93Å; I320-G323 PolarHBondContact O-N 2.98Å; V321-G323 PolarHBondContact O-N 3.24Å; G323-T327 WeakPolarHBondContact O-CB 3.43Å; G323-T327 VanDerWaalsContact O-CG2 3.26Å; G323-T327 WeakPolarHBondContact O-CG2 3.38Å; G323-T327 PolarHBondContact O-N 3.11Å; G323-T327 PolarHBondContact O-OG1 2.77Å
324I93.1Very high90.6Very high28 Ų2876.5 Ų76.514%0.14445%0.446CS..Hα-helixtrans-66.1-43177.6-67.8170.6000110.8A40 M44 L47 I320 S326 T327 T328A40-I324 HydrophobicContact CB-CG2 4.11Å; M44-I324 HydrophobicContact CB-CD1 4.28Å; M44-I324 HydrophobicContact CE-CG2 4.31Å; M44-I324 HydrophobicContact CG-CB 3.67Å; M44-I324 HydrophobicContact CG-CD1 3.49Å; M44-I324 VanDerWaalsContact CG-CD1 3.49Å; M44-I324 HydrophobicContact CG-CG1 4.15Å; M44-I324 HydrophobicContact CG-CG2 3.65Å; M44-I324 HydrophobicContact SD-CB 4.12Å; M44-I324 HydrophobicContact SD-CG2 4.13Å; L47-I324 HydrophobicContact CD1-CD1 3.71Å; I320-I324 HydrophobicContact CG2-CD1 4.09Å; I320-I324 WeakPolarHBondContact O-CG1 3.38Å; I320-I324 PolarHBondContact O-N 2.81Å; I324-S326 PolarHBondContact O-N 2.87Å; I324-T327 WeakPolarHBondContact CA-OG1 3.45Å; I324-T327 PolarHBondContact O-N 3.35Å; I324-T327 PolarHBondContact O-OG1 3.48Å; I324-T328 WeakPolarHBondContact O-CB 3.02Å; I324-T328 PolarHBondContact O-N 2.57Å; I324-T328 PolarHBondContact O-OG1 3.26Å
325F90.1Very high90Very high152 Ų15276.5 Ų76.567%0.66745%0.449SS*.Hα-helixtrans-59.8-46.6179.6-175.7-98.3000112.1V321V321-F325 VanDerWaalsContact O-CB 3.27Å; V321-F325 WeakPolarHBondContact O-CB 3.43Å; V321-F325 PolarHBondContact O-N 2.73Å
326S90.3Very high89.3Confident85 Ų8572.8 Ų72.859%0.59443%0.432SS*.Hα-helixtrans-66.9-45.1178.5-179.50000112.6G322 I324 M330G322-S326 WeakPolarHBondContact O-CB 3.39Å; G322-S326 PolarHBondContact O-N 2.91Å; I324-S326 PolarHBondContact O-N 2.87Å; S326-M330 PolarHBondContact O-N 3.45Å
327T89.7Confident88.7Confident63 Ų6373.4 Ų73.439%0.38744%0.439SS..Hα-helixtrans-69.3-35.6-17751.50000112.7G323 I324 G329 M330 L331G323-T327 WeakPolarHBondContact O-CB 3.43Å; G323-T327 VanDerWaalsContact O-CG2 3.26Å; G323-T327 WeakPolarHBondContact O-CG2 3.38Å; G323-T327 PolarHBondContact O-N 3.11Å; G323-T327 PolarHBondContact O-OG1 2.77Å; I324-T327 WeakPolarHBondContact CA-OG1 3.45Å; I324-T327 PolarHBondContact O-N 3.35Å; I324-T327 PolarHBondContact O-OG1 3.48Å; T327-G329 VanDerWaalsContact C-N 3.33Å; T327-G329 PolarHBondContact O-N 3.47Å; T327-M330 PolarHBondContact O-N 3.42Å; T327-L331 WeakPolarHBondContact O-CB 3.28Å; T327-L331 PolarHBondContact O-N 2.93Å
328T88Confident88Confident30 Ų3074 Ų7418%0.18445%0.446CS..Hα-helixtrans-58.7-43.7179.3-59.20000111.7V36 A40 I324 L331 H332V36-T328 HydrophobicContact CG1-CG2 3.59Å; A40-T328 HydrophobicContact CB-CG2 3.98Å; I324-T328 WeakPolarHBondContact O-CB 3.02Å; I324-T328 PolarHBondContact O-N 2.57Å; I324-T328 PolarHBondContact O-OG1 3.26Å; T328-L331 PolarHBondContact O-N 2.61Å; T328-H332 WeakPolarHBondContact O-CB 3.19Å; T328-H332 PolarHBondContact O-N 3.38Å
329G81.6Confident87.3Confident38 Ų3876.4 Ų76.439%0.39245%0.447SS..Hα-helixtrans-65.3-43177.800000112.7T327 H332 N333T327-G329 VanDerWaalsContact C-N 3.33Å; T327-G329 PolarHBondContact O-N 3.47Å; G329-H332 PolarHBondContact O-N 2.78Å; G329-N333 PolarHBondContact O-N 3.45Å; G329-N333 PolarHBondContact O-ND2 3.47Å
330M85.6Confident86.5Confident130 Ų13077.2 Ų77.264%0.6444%0.44SS*.Hα-helixtrans-65.5-41.9177.2-172.1169.66500112S326 T327 N333 L334S326-M330 PolarHBondContact O-N 3.45Å; T327-M330 PolarHBondContact O-N 3.42Å; M330-N333 PolarHBondContact O-N 3.02Å; M330-L334 WeakPolarHBondContact O-CB 3.45Å; M330-L334 PolarHBondContact O-N 3.5Å
331L85.8Confident85.9Confident107 Ų10779.6 Ų79.656%0.5645%0.452SS*.Hα-helixtrans-64.3-43.1177.8-115.4138.3000111.9T327 T328 N333 L334 V335T327-L331 WeakPolarHBondContact O-CB 3.28Å; T327-L331 PolarHBondContact O-N 2.93Å; T328-L331 PolarHBondContact O-N 2.61Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 3.43Å; L331-L334 PolarHBondContact O-N 3.17Å; L331-V335 HydrophobicContact CD2-CG2 4.31Å; L331-V335 WeakPolarHBondContact O-CB 3.38Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.38Å; L331-V335 PolarHBondContact O-N 3.39Å
332H82.4Confident85.3Confident79 Ų7980 Ų8037%0.36646%0.455SS..Hα-helixtrans-59.7-45.1177-176.6-88000111.5T328 G329 G336T328-H332 WeakPolarHBondContact O-CB 3.19Å; T328-H332 PolarHBondContact O-N 3.38Å; G329-H332 PolarHBondContact O-N 2.78Å; H332-G336 PolarHBondContact O-N 2.88Å
333N81.6Confident84.4Confident114 Ų11479.5 Ų79.561%0.6144%0.444SS*.Hα-helixtrans-66.1-39.9178-68.2-21.5000112.4G329 M330 L331 G336 F337G329-N333 PolarHBondContact O-N 3.45Å; G329-N333 PolarHBondContact O-ND2 3.47Å; M330-N333 PolarHBondContact O-N 3.02Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 3.43Å; N333-G336 PolarHBondContact O-N 3.07Å; N333-F337 WeakPolarHBondContact O-CB 3.2Å; N333-F337 PolarHBondContact O-N 2.97Å
334L84.1Confident83.2Confident103 Ų10382.1 Ų82.154%0.53946%0.456SS..Hα-helixtrans-68.7-42.1178.6-171.3127.1000112M330 L331 G336 F337 C338M330-L334 WeakPolarHBondContact O-CB 3.45Å; M330-L334 PolarHBondContact O-N 3.5Å; L331-L334 PolarHBondContact O-N 3.17Å; L334-G336 VanDerWaalsContact C-N 3.34Å; L334-F337 PolarHBondContact O-N 3.48Å; L334-C338 WeakPolarHBondContact O-CB 3.42Å; L334-C338 PolarHBondContact O-N 3.14Å; L334-C338 PolarHBondContact O-SG 3.1Å; L334-C338 VanDerWaalsContact O-SG 3.36Å
335V83.3Confident82Confident86 Ų8691 Ų9152%0.52149%0.488SS..Hα-helixtrans-63-42.4174.6171.50000110.7L331 C338 F339L331-V335 HydrophobicContact CD2-CG2 4.31Å; L331-V335 WeakPolarHBondContact O-CB 3.38Å; L331-V335 VanDerWaalsContact O-CG2 3.25Å; L331-V335 WeakPolarHBondContact O-CG2 3.38Å; L331-V335 PolarHBondContact O-N 3.39Å; V335-C338 PolarHBondContact O-N 2.96Å; V335-F339 VanDerWaalsContact O-CB 3.31Å; V335-F339 WeakPolarHBondContact O-CB 3.29Å; V335-F339 PolarHBondContact O-N 3.08Å
336G81Confident81Confident29 Ų2991 Ų9130%0.29949%0.488SS..Hα-helixtrans-57.9-50.3173.200000112.1H332 N333 L334 C338 F339 D340H332-G336 PolarHBondContact O-N 2.88Å; N333-G336 PolarHBondContact O-N 3.07Å; L334-G336 VanDerWaalsContact C-N 3.34Å; G336-C338 PolarHBondContact O-N 3.01Å; G336-F339 WeakPolarHBondContact O-CB 3.19Å; G336-F339 PolarHBondContact O-N 3.33Å; G336-D340 PolarHBondContact O-N 2.85Å
337F82.1Confident79.5Confident133 Ų13398 Ų9858%0.58350%0.501SS*.Hα-helixtrans-60.3-43177.6-180-104.9000113.1N333 L334 D340 I341N333-F337 WeakPolarHBondContact O-CB 3.2Å; N333-F337 PolarHBondContact O-N 2.97Å; L334-F337 PolarHBondContact O-N 3.48Å; F337-D340 PolarHBondContact O-N 2.91Å; F337-I341 HydrophobicContact CD1-CD1 3.81Å; F337-I341 HydrophobicContact CE1-CD1 3.23Å; F337-I341 HydrophobicContact CE1-CG1 4.33Å; F337-I341 HydrophobicContact CE2-CD1 4.07Å; F337-I341 HydrophobicContact CG-CD1 4.45Å; F337-I341 HydrophobicContact CZ-CD1 3.4Å; F337-I341 VanDerWaalsContact CZ-CD1 3.4Å; F337-I341 HydrophobicContact CZ-CG1 4.29Å; F337-I341 WeakPolarHBondContact O-CG1 3.09Å; F337-I341 PolarHBondContact O-N 3.11Å
338C81.3Confident77.9Confident61 Ų61100.3 Ų100.341%0.41252%0.515SS..Hα-helixtrans-64.6-41.5175.3-73.90000111.8L334 V335 G336 D340 I341 V342L334-C338 WeakPolarHBondContact O-CB 3.42Å; L334-C338 PolarHBondContact O-N 3.14Å; L334-C338 PolarHBondContact O-SG 3.1Å; L334-C338 VanDerWaalsContact O-SG 3.36Å; V335-C338 PolarHBondContact O-N 2.96Å; G336-C338 PolarHBondContact O-N 3.01Å; C338-D340 VanDerWaalsContact C-N 3.34Å; C338-I341 PolarHBondContact O-N 2.92Å; C338-V342 WeakPolarHBondContact O-CB 3.42Å; C338-V342 VanDerWaalsContact O-CG2 3.26Å; C338-V342 WeakPolarHBondContact O-CG2 3.49Å; C338-V342 PolarHBondContact O-N 3Å
339F81.7Confident76Confident139 Ų139102.7 Ų102.761%0.6155%0.546SS*.Hα-helixtrans-61.7-43.7175.9-173.9-96.1000111.3V335 G336 V342 C343V335-F339 VanDerWaalsContact O-CB 3.31Å; V335-F339 WeakPolarHBondContact O-CB 3.29Å; V335-F339 PolarHBondContact O-N 3.08Å; G336-F339 WeakPolarHBondContact O-CB 3.19Å; G336-F339 PolarHBondContact O-N 3.33Å; F339-V342 PolarHBondContact O-N 3.01Å; F339-C343 WeakPolarHBondContact CE1-SG 3.43Å; F339-C343 WeakPolarHBondContact CZ-SG 3.34Å; F339-C343 VanDerWaalsContact O-CB 3.3Å; F339-C343 WeakPolarHBondContact O-CB 3.48Å; F339-C343 PolarHBondContact O-N 3.31Å; F339-C343 PolarHBondContact O-SG 3.46Å
340D78.9Confident74.4Confident65 Ų65105.4 Ų105.435%0.34856%0.564SS.*Hα-helixtrans-64-43177.4-71.8-21.7000111.9G336 F337 C338 C344G336-D340 PolarHBondContact O-N 2.85Å; F337-D340 PolarHBondContact O-N 2.91Å; C338-D340 VanDerWaalsContact C-N 3.34Å; D340-C344 WeakPolarHBondContact O-CB 3.28Å; D340-C344 PolarHBondContact O-N 3.14Å; D340-C344 PolarHBondContact O-SG 2.85Å
341I82.9Confident72.3Confident84 Ų84106.7 Ų106.743%0.43156%0.563SS.*Hα-helixtrans-61.6-46.8174.6-75.4178.1000111.1F337 C338 C344 R345F337-I341 HydrophobicContact CD1-CD1 3.81Å; F337-I341 HydrophobicContact CE1-CD1 3.23Å; F337-I341 HydrophobicContact CE1-CG1 4.33Å; F337-I341 HydrophobicContact CE2-CD1 4.07Å; F337-I341 HydrophobicContact CG-CD1 4.45Å; F337-I341 HydrophobicContact CZ-CD1 3.4Å; F337-I341 VanDerWaalsContact CZ-CD1 3.4Å; F337-I341 HydrophobicContact CZ-CG1 4.29Å; F337-I341 WeakPolarHBondContact O-CG1 3.09Å; F337-I341 PolarHBondContact O-N 3.11Å; C338-I341 PolarHBondContact O-N 2.92Å; I341-C344 PolarHBondContact O-N 2.82Å; I341-R345 WeakPolarHBondContact O-CB 3.34Å; I341-R345 PolarHBondContact O-N 3.01Å
342V79.9Confident70.3Confident78 Ų78112.9 Ų112.947%0.47358%0.579SS.*Hα-helixtrans-66.8-43.7-178.1171.40000110.5C338 F339 R345 F346C338-V342 WeakPolarHBondContact O-CB 3.42Å; C338-V342 VanDerWaalsContact O-CG2 3.26Å; C338-V342 WeakPolarHBondContact O-CG2 3.49Å; C338-V342 PolarHBondContact O-N 3Å; F339-V342 PolarHBondContact O-N 3.01Å; V342-R345 PolarHBondContact O-N 3.23Å; V342-F346 HydrophobicContact CG1-CD2 3.94Å; V342-F346 HydrophobicContact CG1-CE2 4.43Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 WeakPolarHBondContact O-CD2 3.28Å; V342-F346 PolarHBondContact O-N 3.23Å
343C74Confident68.5Low31 Ų31114 Ų11421%0.20959%0.593CS.*Hα-helixtrans-64.8-40.3176.4-70.90000112.1F339 R347F339-C343 WeakPolarHBondContact CE1-SG 3.43Å; F339-C343 WeakPolarHBondContact CZ-SG 3.34Å; F339-C343 VanDerWaalsContact O-CB 3.3Å; F339-C343 WeakPolarHBondContact O-CB 3.48Å; F339-C343 PolarHBondContact O-N 3.31Å; F339-C343 PolarHBondContact O-SG 3.46Å; C343-R347 PolarHBondContact O-N 2.63Å
344C69.8Low66.7Low90 Ų90118 Ų11861%0.60860%0.6SS**Hα-helixtrans-67.2-37.1174.9-73.30000112.2D340 I341D340-C344 WeakPolarHBondContact O-CB 3.28Å; D340-C344 PolarHBondContact O-N 3.14Å; D340-C344 PolarHBondContact O-SG 2.85Å; I341-C344 PolarHBondContact O-N 2.82Å
345R68.8Low64.3Low214 Ų214121.9 Ų121.981%0.80862%0.615SS**Hα-helixtrans-79.6-33.3-176.9-152.8-174.3-178.9177.71.9113.5I341 V342I341-R345 WeakPolarHBondContact O-CB 3.34Å; I341-R345 PolarHBondContact O-N 3.01Å; V342-R345 PolarHBondContact O-N 3.23Å
346F67.4Low62.3Low152 Ų152124 Ų12467%0.66763%0.627SS**Hα-helixtrans-94.40.2179.1-77-83000114.4V342 V348V342-F346 HydrophobicContact CG1-CD2 3.94Å; V342-F346 HydrophobicContact CG1-CE2 4.43Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 WeakPolarHBondContact O-CD2 3.28Å; V342-F346 PolarHBondContact O-N 3.23Å; F346-V348 HydrophobicContact CB-CG2 4.18Å; F346-V348 PolarHBondContact O-N 2.85Å
347R58.8Low59.9Low232 Ų232127.1 Ų127.188%0.87565%0.645SS**THydrogen-bonded Turntrans50.336.5173.1-135.5-178.7-165.2179.94.4113.2C343 G349C343-R347 PolarHBondContact O-N 2.63Å; R347-G349 PolarHBondContact O-N 3.06Å; R347-G349 VanDerWaalsContact O-N 3.11Å
348V56.7Low57.8Low111 Ų111126.8 Ų126.867%0.67366%0.656SS**  trans-74.8103.9174.9-1780000106.8F346 A350F346-V348 HydrophobicContact CB-CG2 4.18Å; F346-V348 PolarHBondContact O-N 2.85Å; V348-A350 PolarHBondContact O-N 2.92Å
349G49.3Very low55.9Low81 Ų81129.3 Ų129.384%0.83567%0.67SS**SBendtrans-64.793.9-17200000113.1R347R347-G349 PolarHBondContact O-N 3.06Å; R347-G349 VanDerWaalsContact O-N 3.11Å
350A46.9Very low53.7Low94 Ų94130 Ų13078%0.77768%0.68SS**  trans-161.539.3156.600000111.7V348 R352V348-A350 PolarHBondContact O-N 2.92Å; A350-R352 PolarHBondContact O-N 3.35Å
351Y42.4Very low51.7Low157 Ų157132.3 Ų132.362%0.61670%0.701SS**  trans-92.297172.1-146.2-95.1000108.8
352R43.7Very low49.4Very low238 Ų238134.5 Ų134.590%0.89872%0.718SS**  trans-79.7118.6161.2-104.8-172.6179-176.50.1106.9A350 R354A350-R352 PolarHBondContact O-N 3.35Å; R352-R354 PolarHBondContact O-N 3.48Å
353P44Very low47.1Very low102 Ų102138.1 Ų138.166%0.66273%0.734SS**  trans-61.6139.8174.7-10.624000109.5Q355P353-Q355 PolarHBondContact O-N 3.23Å; P353-Q355 VanDerWaalsContact O-N 3.11Å
354R44.3Very low44.9Very low199 Ų199143.8 Ų143.875%0.75176%0.762SS**  trans-57.4110.6170.8-158174.9-172.2162.65.1107.9E28 R352 V356E28-R354 IonicContact OE1-NH2 3.16Å; E28-R354 PolarHBondContact OE1-NH2 3.3Å; E28-R354 VanDerWaalsContact OE1-NH2 3.16Å; E28-R354 IonicContact OE2-NH2 3.04Å; E28-R354 PolarHBondContact OE2-NH2 3.17Å; R352-R354 PolarHBondContact O-N 3.48Å; R354-V356 PolarHBondContact O-N 3.08Å
355Q33.5Very low43.1Very low184 Ų184147.5 Ų147.586%0.8677%0.773SS**  trans-70.9110.8173.2-83.7-174.9-21.100108.5P353P353-Q355 PolarHBondContact O-N 3.23Å; P353-Q355 VanDerWaalsContact O-N 3.11Å
356V41.5Very low41.3Very low129 Ų129144.2 Ų144.278%0.78277%0.771SS**  trans-79.3113.2159.6178.70000106R354 P358R354-V356 PolarHBondContact O-N 3.08Å; V356-P358 WeakPolarHBondContact O-CD 3.49Å
357S30Very low39.5Very low96 Ų96143.1 Ų143.167%0.67178%0.777SS**  trans-69.5125.8172.5-640000109.8
358P38.9Very low38.4Very low126 Ų126137.7 Ų137.782%0.81877%0.772SS**  trans-95.292.8173.933.6-24.4000109.3V356V356-P358 WeakPolarHBondContact O-CD 3.49Å
359V40.5Very low37.3Very low114 Ų114140.9 Ų140.969%0.69178%0.781SS**  trans-148.599.9168.3-1770000102.1
360D35.6Very low36.3Very low153 Ų153144.9 Ų144.982%0.81878%0.784SS**  -151.5120.355-68.6-59.9000110.9
361S36Very low35.4Very low114 Ų114148.2 Ų148.280%0.79778%0.783SS**  trans-150.812814646.20000108.2
362V35.1Very low34.9Very low130 Ų130147.5 Ų147.579%0.78879%0.789SS**  trans118.8117.7167.1-178.60000114
363L32.4Very low34.2Very low153 Ų153144 Ų14480%0.80178%0.783SS**  trans90.9116172.3-60.1147.3000114
364D27.3Very low33.5Very low151 Ų151146 Ų14681%0.80779%0.788SS**  cis-142.1143.840.6-87.1-40.3000115.3
365M33.2Very low32.7Very low168 Ų168142 Ų14283%0.82878%0.781SS**  trans-94.4146.7160.8-144.9-161.5-165.100107.8
366N30.8Very low32.5Very low144 Ų144142.1 Ų142.177%0.7778%0.781SS**  trans96.9119-179.2-54.6-23.5000112.4
367T29Very low31.9Very low129 Ų129141.4 Ų141.479%0.79177%0.772SS**  cis179.6-179.128.125.90000106.8
368P34.8Very low31.8Very low119 Ų119142 Ų14277%0.77377%0.768SS**  -121.4-177-52.937-19.5000112.5
369M33.5Very low31.4Very low177 Ų177144.3 Ų144.387%0.87277%0.768SS**  trans-35.9133.4169.8-85.1-87.8133.700115.6
370D28.7Very low30.8Very low165 Ų165145.8 Ų145.888%0.88277%0.766SS**  trans-145.9137.6134.9-127.8-9.9000111.8
371E29.1Very low30.5Very low165 Ų165146.6 Ų146.677%0.77177%0.766SS**  trans-88.2133.1-172.1-177.4-178.9-165.200108.9
372L30.5Very low30.3Very low142 Ų142145.3 Ų145.374%0.74376%0.762SS**  trans-176.8120.6139-121.881.9000113.6
373Q30.4Very low30.2Very low163 Ų163145.3 Ų145.376%0.76277%0.765SS**  trans62.5105.3139.8-71.5178.2-17.800119.6
374L28.3Very low30.1Very low146 Ų146145.7 Ų145.776%0.76477%0.766SS**  75.4117.166.5-156.893.1000113.4
375N27Very low30.3Very low114 Ų114145.9 Ų145.961%0.6177%0.767SS**  trans74114.2157.2-64.5-17.1000119.3
376H29.9Very low30.3Very low186 Ų186144.4 Ų144.486%0.86177%0.767SS**  -157137.386.2-134.8-77000112.7
377L29.3Very low30.5Very low114 Ų114140.5 Ų140.560%0.59776%0.76SS**  trans-74.8157.3-174.7-85.3106000114.8
378N27.9Very low30.6Very low110 Ų110142.6 Ų142.659%0.58877%0.767SS**  trans65.4122.6137.6-66.1-9.2000120.4
379H29.8Very low30.7Very low174 Ų174141.2 Ų141.281%0.80677%0.765SS**  -165.1134.482.5-117.9-61.9000113.5
380H27.8Very low31.4Very low144 Ų144138.4 Ų138.467%0.66776%0.76SS**  trans-48.7165.8158.5-67.6-88.4000112.4
381Q30.2Very low31.8Very low171 Ų171142.2 Ų142.280%0.79978%0.779SS**  cis-174.7148.831.8-143.4146.3-2700109.5
382A30.9Very low31.9Very low87 Ų87141.1 Ų141.172%0.71978%0.78SS**  trans-80.1164.3159.200000111.1
383P34Very low32Very low130 Ų130141.1 Ų141.184%0.84478%0.782SS**  trans-128.1139.6144.927.7-11000113.4
384L29.4Very low32.1Very low160 Ų160139.8 Ų139.884%0.83878%0.783SS**  trans-110.7168.7167.7-96.7165.8000109.3
385L32.2Very low32.3Very low156 Ų156139.5 Ų139.582%0.81778%0.784SS**  trans100.4107.7166.4-54174.3000114
386V33.4Very low32.6Very low137 Ų137141.1 Ų141.183%0.8380%0.795SS**  71.2108.561.3-176.90000114.1
387G34Very low32.8Very low61 Ų61138.1 Ų138.163%0.62979%0.79SS**  trans55.9116.1133.900000121.5
388N31.7Very low33.1Very low174 Ų174139.8 Ų139.893%0.9380%0.804SS**  172.4136.8106.8-93-13.2000112.5
389A36.2Very low33.5Very low89 Ų89142.1 Ų142.174%0.73682%0.821SS**  trans-71.2166.5156.800000109.3
390P47.8Very low33.8Very low119 Ų119139.4 Ų139.477%0.77382%0.822SS**  cis-147.9165.446.638.3-17000117.1
391L37.8Very low34.3Very low245 Ų245139 Ų139100%1.28384%0.836SS**  -175.70128.6-102163.9000110

Retrieved 391 of 391 residues in 1158.4 ms (Link to these results)