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T-complex protein 1 subunit alpha

Molecular chaperone; assists the folding of proteins upon ATP hydrolysis. Known to play a role, in vitro, in the folding of actin and tubulin (By similarity).

AlphaFold DB , UniProt , Accession Q94757, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TCP-1A, Length 545 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
1M42.6Very low72.8Confident229 Ų229100.8 Ų100.8100%1.12857%0.574SS**  0120.60-81.8177.7176.600107.2T3M1-T3 PolarHBondContact O-N 3.19Å
2L53Low74.1Confident136 Ų136100.7 Ų100.771%0.71257%0.565SS**  trans-67.5101.7172.9-79.9155.6000107.5L4 R8L2-L4 PolarHBondContact O-N 3.34Å; L2-R8 VanDerWaalsContact CD1-NH1 3.27Å
3T57.9Low75.3Confident136 Ų13697.1 Ų97.183%0.83455%0.551SS**  trans-78.963.6-179.747.80000110.7M1M1-T3 PolarHBondContact O-N 3.19Å
4L60.8Low76.5Confident111 Ų11190.1 Ų90.158%0.58151%0.511SS*.  trans-88.1135.2152.6-81.7102.2000107.2L2 G6 L530L2-L4 PolarHBondContact O-N 3.34Å; L4-G6 PolarHBondContact O-N 3.22Å; L4-L530 HydrophobicContact CB-CD2 4.44Å; L4-L530 HydrophobicContact CD2-CD2 4.02Å
5G72.4Confident77.4Confident57 Ų5787.6 Ų87.659%0.58849%0.49SS*.SBendtrans-66.874.917900000112.1K531G5-K531 WeakPolarHBondContact O-CB 3.5Å; G5-K531 PolarHBondContact O-N 3.42Å
6G80.5Confident78.2Confident29 Ų2988.4 Ų88.430%0.29949%0.487SS..EExtended strand (participates in β ladder)trans-173175.4-172.600000113.6L4 K529L4-G6 PolarHBondContact O-N 3.22Å; G6-K529 CarbonylContact C-O 3.59Å; G6-K529 WeakPolarHBondContact CA-O 3.09Å
7E83.6Confident79.1Confident140 Ų14088.1 Ų88.165%0.65448%0.481SS*.EExtended strand (participates in β ladder)trans-99.5132.1173-67.3179.6178.300109.3K529E7-K529 PolarHBondContact N-O 3.07Å; E7-K529 PolarHBondContact O-N 3.13Å
8R87.2Confident79.9Confident131 Ų13183.3 Ų83.349%0.49446%0.455SS..EExtended strand (participates in β ladder)trans-116.3119.6172.3178.5176.7175.6-170.2-1109.1L2 D526 L527 I528L2-R8 VanDerWaalsContact CD1-NH1 3.27Å; R8-D526 IonicContact CZ-OD1 2.64Å; R8-D526 IonicContact CZ-OD2 3.62Å; R8-D526 IonicContact NE-OD1 3.82Å; R8-D526 PolarHBondContact NE-OD1 2.65Å; R8-D526 IonicContact NE-OD2 2.66Å; R8-D526 VanDerWaalsContact NH2-CG 3.29Å; R8-D526 IonicContact NH2-OD1 2.7Å; R8-D526 PolarHBondContact NH2-OD1 3.29Å; R8-D526 IonicContact NH2-OD2 2.62Å; R8-D526 PolarHBondContact NH2-OD2 3.27Å; R8-L527 WeakPolarHBondContact CA-O 3.45Å; R8-I528 HydrophobicContact CB-CG1 4.46Å; R8-I528 HydrophobicContact CG-CG1 4.09Å
9T87.5Confident80.6Confident46 Ų4679.6 Ų79.628%0.28244%0.435SS..EExtended strand (participates in β ladder)trans-103.6141.3164.149.20000108.4V14 L527T9-V14 WeakPolarHBondContact O-CG2 3.38Å; T9-L527 PolarHBondContact N-O 3.18Å; T9-L527 PolarHBondContact O-N 3.16Å
10S88.8Confident81.2Confident68 Ų6881.5 Ų81.548%0.47644%0.444SS..EExtended strand (participates in β ladder)trans-138.7147.8-171.864.70000112.3S13 D525 D526S10-S13 PolarHBondContact O-OG 3.33Å; S10-S13 VanDerWaalsContact O-OG 3.14Å; S10-D525 CarbonylContact C-O 3.5Å; S10-D526 VanDerWaalsContact CA-OD1 3.3Å; S10-D526 WeakPolarHBondContact CA-OD1 3.3Å; S10-D526 WeakPolarHBondContact CB-OD1 3.36Å
11G87Confident81.8Confident26 Ų2678.4 Ų78.427%0.26843%0.429SS..THydrogen-bonded Turntrans81.4-132.7168.500000113.7S13 R15 D525G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.43Å; G11-R15 PolarHBondContact O-N 2.93Å; G11-D525 PolarHBondContact N-O 2.87Å
12E87.5Confident84.2Confident99 Ų9967.5 Ų67.546%0.46338%0.376SS..Hα-helixtrans-67.3-32.7-173.2-167.7-174.9151.100113.1V14 R15 K16E12-V14 PolarHBondContact O-N 3.41Å; E12-R15 PolarHBondContact O-N 3.08Å; E12-K16 HydrophobicContact CG-CD 4.26Å; E12-K16 PolarHBondContact O-N 3.34Å; E12-K16 WeakPolarHBondContact OE1-CE 3.48Å; E12-K16 IonicContact OE1-NZ 3.25Å; E12-K16 PolarHBondContact OE1-NZ 2.72Å
13S90.7Very high86.1Confident54 Ų5462.3 Ų62.338%0.37835%0.35SS..Hα-helixtrans-60.5-44.317955.90000111.8S10 G11 K16 Q17S10-S13 PolarHBondContact O-OG 3.33Å; S10-S13 VanDerWaalsContact O-OG 3.14Å; G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.43Å; S13-K16 PolarHBondContact O-N 3.05Å; S13-Q17 WeakPolarHBondContact O-CB 3.31Å; S13-Q17 VanDerWaalsContact O-CG 3.25Å; S13-Q17 WeakPolarHBondContact O-CG 3.34Å; S13-Q17 PolarHBondContact O-N 3.01Å
14V92Very high87.6Confident0 Ų058.4 Ų58.40%033%0.329CS..Hα-helixtrans-63.3-44.3177.61790000111T9 E12 Q17 N18 I524 L527T9-V14 WeakPolarHBondContact O-CG2 3.38Å; E12-V14 PolarHBondContact O-N 3.41Å; V14-Q17 PolarHBondContact O-N 3.37Å; V14-N18 WeakPolarHBondContact O-CB 3.35Å; V14-N18 PolarHBondContact O-N 2.89Å; V14-N18 PolarHBondContact O-ND2 3Å; V14-I524 HydrophobicContact CG1-CG2 3.9Å; V14-L527 HydrophobicContact CG1-CB 3.93Å; V14-L527 HydrophobicContact CG2-CB 4.07Å
15R89.2Confident88.9Confident52 Ų5254.2 Ų54.220%0.19631%0.306CS..Hα-helixtrans-62.3-46.3178.6-70.7-170-67.4-89.72.6111.8G11 E12 Q17 N18 V19G11-R15 PolarHBondContact O-N 2.93Å; E12-R15 PolarHBondContact O-N 3.08Å; R15-Q17 VanDerWaalsContact C-N 3.35Å; R15-Q17 PolarHBondContact O-N 3.26Å; R15-N18 PolarHBondContact O-N 3.31Å; R15-V19 VanDerWaalsContact O-CG2 3.23Å; R15-V19 WeakPolarHBondContact O-CG2 3.39Å; R15-V19 PolarHBondContact O-N 3.49Å
16K91.3Very high89.9Confident101 Ų10151.5 Ų51.544%0.43928%0.278SS..Hα-helixtrans-61.8-41.8175.6-77.1178.4166.8169.10112.1E12 S13 V19 L20E12-K16 HydrophobicContact CG-CD 4.26Å; E12-K16 PolarHBondContact O-N 3.34Å; E12-K16 WeakPolarHBondContact OE1-CE 3.48Å; E12-K16 IonicContact OE1-NZ 3.25Å; E12-K16 PolarHBondContact OE1-NZ 2.72Å; S13-K16 PolarHBondContact O-N 3.05Å; K16-V19 PolarHBondContact O-N 3.18Å; K16-L20 VanDerWaalsContact O-CB 3.27Å; K16-L20 WeakPolarHBondContact O-CB 3.19Å; K16-L20 PolarHBondContact O-N 3.29Å
17Q92.4Very high90.5Very high82 Ų8254.1 Ų54.138%0.38329%0.285SS..Hα-helixtrans-61.2-45.8174.8-76.7174.7-15.100111.7S13 V14 R15 V19 L20 A21S13-Q17 WeakPolarHBondContact O-CB 3.31Å; S13-Q17 VanDerWaalsContact O-CG 3.25Å; S13-Q17 WeakPolarHBondContact O-CG 3.34Å; S13-Q17 PolarHBondContact O-N 3.01Å; V14-Q17 PolarHBondContact O-N 3.37Å; R15-Q17 VanDerWaalsContact C-N 3.35Å; R15-Q17 PolarHBondContact O-N 3.26Å; Q17-V19 PolarHBondContact O-N 3.42Å; Q17-L20 PolarHBondContact O-N 3.45Å; Q17-A21 WeakPolarHBondContact O-CB 3.34Å; Q17-A21 PolarHBondContact O-N 3.16Å
18N93.4Very high90.8Very high3 Ų352 Ų522%0.01627%0.274CS..Hα-helixtrans-60.7-45.5177.4-72.6-19.6000112.2V14 R15 A21 A22 H66 A68 I521V14-N18 WeakPolarHBondContact O-CB 3.35Å; V14-N18 PolarHBondContact O-N 2.89Å; V14-N18 PolarHBondContact O-ND2 3Å; R15-N18 PolarHBondContact O-N 3.31Å; N18-A21 PolarHBondContact O-N 3.19Å; N18-A22 VanDerWaalsContact O-CB 3.31Å; N18-A22 WeakPolarHBondContact O-CB 3.49Å; N18-A22 PolarHBondContact O-N 2.86Å; N18-H66 PolarHBondContact OD1-CE1 3.04Å; N18-H66 VanDerWaalsContact OD1-CE1 3.29Å; N18-A68 HydrophobicContact CB-CB 4.11Å; N18-I521 HydrophobicContact CB-CG2 3.75Å
19V93.4Very high91.1Very high12 Ų1245.8 Ų45.87%0.07325%0.25CS..Hα-helixtrans-66.2-42.8179.1174.40000110.6R15 K16 Q17 A22 C23 L98 D102R15-V19 VanDerWaalsContact O-CG2 3.23Å; R15-V19 WeakPolarHBondContact O-CG2 3.39Å; R15-V19 PolarHBondContact O-N 3.49Å; K16-V19 PolarHBondContact O-N 3.18Å; Q17-V19 PolarHBondContact O-N 3.42Å; V19-A22 PolarHBondContact O-N 2.79Å; V19-C23 VanDerWaalsContact O-CB 3.32Å; V19-C23 WeakPolarHBondContact O-CB 3.48Å; V19-C23 PolarHBondContact O-N 3Å; V19-C23 PolarHBondContact O-SG 2.98Å; V19-L98 HydrophobicContact CG2-CB 4.42Å; V19-D102 HydrophobicContact CG1-CB 4.18Å; V19-D102 HydrophobicContact CG2-CB 3.91Å
20L93.4Very high91.4Very high117 Ų11746.1 Ų46.161%0.61325%0.248SC*.Hα-helixtrans-61.3-47.9175.7-177.567.3000111K16 Q17 A22 C23 S24K16-L20 VanDerWaalsContact O-CB 3.27Å; K16-L20 WeakPolarHBondContact O-CB 3.19Å; K16-L20 PolarHBondContact O-N 3.29Å; Q17-L20 PolarHBondContact O-N 3.45Å; L20-A22 PolarHBondContact O-N 3.38Å; L20-C23 PolarHBondContact O-N 3.16Å; L20-S24 WeakPolarHBondContact O-CB 3.49Å; L20-S24 PolarHBondContact O-N 3.31Å; L20-S24 PolarHBondContact O-OG 3.25Å
21A92.5Very high91.6Very high17 Ų1745.6 Ų45.614%0.1424%0.242CC..Hα-helixtrans-58.9-47.5177.300000111.2Q17 N18 S24 F25 H66Q17-A21 WeakPolarHBondContact O-CB 3.34Å; Q17-A21 PolarHBondContact O-N 3.16Å; N18-A21 PolarHBondContact O-N 3.19Å; A21-S24 PolarHBondContact O-N 2.94Å; A21-F25 WeakPolarHBondContact O-CB 3.41Å; A21-F25 PolarHBondContact O-N 2.95Å; A21-H66 HydrophobicContact CB-CB 4.45Å
22A93Very high91.9Very high0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-62.7-43.517800000113N18 V19 L20 F25 A26 L72 L98N18-A22 VanDerWaalsContact O-CB 3.31Å; N18-A22 WeakPolarHBondContact O-CB 3.49Å; N18-A22 PolarHBondContact O-N 2.86Å; V19-A22 PolarHBondContact O-N 2.79Å; L20-A22 PolarHBondContact O-N 3.38Å; A22-F25 PolarHBondContact O-N 2.98Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.23Å; A22-L72 HydrophobicContact CB-CD1 3.76Å; A22-L98 HydrophobicContact CB-CD1 3.52Å
23C92.9Very high92.1Very high27 Ų2740.3 Ų40.318%0.18221%0.211CC..Hα-helixtrans-66.6-42.9178.2-70.90000112.1V19 L20 F25 A26 N27V19-C23 VanDerWaalsContact O-CB 3.32Å; V19-C23 WeakPolarHBondContact O-CB 3.48Å; V19-C23 PolarHBondContact O-N 3Å; V19-C23 PolarHBondContact O-SG 2.98Å; L20-C23 PolarHBondContact O-N 3.16Å; C23-F25 VanDerWaalsContact C-N 3.32Å; C23-A26 PolarHBondContact O-N 3.31Å; C23-N27 PolarHBondContact O-N 3.19Å; C23-N27 PolarHBondContact O-ND2 2.79Å; C23-N27 PolarHBondContact O-OD1 3Å
24S90.9Very high92.1Very high54 Ų5438.3 Ų38.338%0.37820%0.198SC..Hα-helixtrans-61.5-42.3175.2-65.80000111L20 A21 N27L20-S24 WeakPolarHBondContact O-CB 3.49Å; L20-S24 PolarHBondContact O-N 3.31Å; L20-S24 PolarHBondContact O-OG 3.25Å; A21-S24 PolarHBondContact O-N 2.94Å; S24-N27 WeakPolarHBondContact O-CB 3.24Å; S24-N27 PolarHBondContact O-N 3.16Å
25F88.3Confident91.9Very high24 Ų2441 Ų4111%0.10522%0.216CC..Hα-helixtrans-63.1-45176.1-113.7-104.2000112.9A21 A22 C23 N27 F28 L59 L62 V64 A69 L72 V73A21-F25 WeakPolarHBondContact O-CB 3.41Å; A21-F25 PolarHBondContact O-N 2.95Å; A22-F25 PolarHBondContact O-N 2.98Å; C23-F25 VanDerWaalsContact C-N 3.32Å; F25-N27 PolarHBondContact O-N 2.86Å; F25-F28 HydrophobicContact CD2-CE2 4.42Å; F25-F28 HydrophobicContact CE2-CE2 4.38Å; F25-F28 WeakPolarHBondContact O-CB 3.29Å; F25-F28 PolarHBondContact O-N 3.19Å; F25-F28 VanDerWaalsContact O-N 3.16Å; F25-L59 HydrophobicContact CD1-CD2 3.47Å; F25-L59 VanDerWaalsContact CD1-CD2 3.47Å; F25-L59 HydrophobicContact CE1-CD2 3.56Å; F25-L62 HydrophobicContact CE1-CD1 4.18Å; F25-L62 HydrophobicContact CZ-CB 4.31Å; F25-L62 HydrophobicContact CZ-CD1 4.16Å; F25-V64 HydrophobicContact CE1-CG1 4.3Å; F25-V64 HydrophobicContact CE1-CG2 3.68Å; F25-V64 HydrophobicContact CE2-CG1 3.91Å; F25-V64 HydrophobicContact CE2-CG2 4.22Å; F25-V64 HydrophobicContact CZ-CB 4.05Å; F25-V64 HydrophobicContact CZ-CG1 3.7Å; F25-V64 HydrophobicContact CZ-CG2 3.24Å; F25-A69 HydrophobicContact CD1-CB 4.19Å; F25-A69 HydrophobicContact CD2-CB 3.56Å; F25-A69 HydrophobicContact CE1-CB 4.42Å; F25-A69 HydrophobicContact CE2-CB 3.82Å; F25-A69 HydrophobicContact CG-CB 3.81Å; F25-A69 HydrophobicContact CZ-CB 4.28Å; F25-L72 HydrophobicContact CB-CD1 4.26Å; F25-V73 HydrophobicContact CE1-CG2 4Å
26A92.7Very high91.9Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-62.7-30.5176.100000112.5A22 C23 F28 V29 K30 V91 A95A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.23Å; C23-A26 PolarHBondContact O-N 3.31Å; A26-F28 PolarHBondContact O-N 3.02Å; A26-V29 WeakPolarHBondContact O-CG2 3.26Å; A26-V29 PolarHBondContact O-N 2.86Å; A26-K30 VanDerWaalsContact O-CG 3.3Å; A26-K30 WeakPolarHBondContact O-CG 3.31Å; A26-K30 PolarHBondContact O-N 3.24Å; A26-V91 HydrophobicContact CB-CG1 4.33Å; A26-A95 HydrophobicContact CB-CB 3.37Å
27N92.5Very high91.7Very high83 Ų8336.4 Ų36.444%0.44420%0.204SC..Hα-helixtrans-63.4-28.1176.9-67.9-23.1000113.1C23 S24 F25 K30C23-N27 PolarHBondContact O-N 3.19Å; C23-N27 PolarHBondContact O-ND2 2.79Å; C23-N27 PolarHBondContact O-OD1 3Å; S24-N27 WeakPolarHBondContact O-CB 3.24Å; S24-N27 PolarHBondContact O-N 3.16Å; F25-N27 PolarHBondContact O-N 2.86Å; N27-K30 WeakPolarHBondContact OD1-CD 3.26Å; N27-K30 WeakPolarHBondContact OD1-CE 3.36Å; N27-K30 PolarHBondContact OD1-NZ 2.88Å
28F90.6Very high91.6Very high96 Ų9638.7 Ų38.742%0.42122%0.218SC..Hα-helixtrans-64.1-42.3173.9-67-60.5000111.8F25 A26 K40 L62F25-F28 HydrophobicContact CD2-CE2 4.42Å; F25-F28 HydrophobicContact CE2-CE2 4.38Å; F25-F28 WeakPolarHBondContact O-CB 3.29Å; F25-F28 PolarHBondContact O-N 3.19Å; F25-F28 VanDerWaalsContact O-N 3.16Å; A26-F28 PolarHBondContact O-N 3.02Å; F28-K40 WeakPolarHBondContact O-CE 3.45Å; F28-L62 HydrophobicContact CB-CD1 4.44Å; F28-L62 HydrophobicContact CD2-CD1 3.95Å; F28-L62 HydrophobicContact CE2-CD1 4.44Å; F28-L62 HydrophobicContact CG-CD1 4.2Å
29V93Very high91.4Very high0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-90.2-14.5-176.6-59.60000113.5A26 T31 S32 I58 L59 T88 V91 I92A26-V29 WeakPolarHBondContact O-CG2 3.26Å; A26-V29 PolarHBondContact O-N 2.86Å; V29-T31 VanDerWaalsContact C-N 3.27Å; V29-T31 PolarHBondContact O-N 3.4Å; V29-S32 PolarHBondContact O-N 3.42Å; V29-S32 VanDerWaalsContact O-N 3.15Å; V29-S32 PolarHBondContact O-OG 3.49Å; V29-I58 HydrophobicContact CG1-CG2 4.39Å; V29-L59 HydrophobicContact CG1-CD1 4.07Å; V29-L59 HydrophobicContact CG1-CD2 3.97Å; V29-L59 HydrophobicContact CG1-CG 3.82Å; V29-T88 HydrophobicContact CB-CG2 3.99Å; V29-T88 HydrophobicContact CG2-CG2 4.23Å; V29-T88 VanDerWaalsContact O-CG2 3.24Å; V29-T88 WeakPolarHBondContact O-CG2 3.32Å; V29-V91 HydrophobicContact CG2-CB 4.26Å; V29-V91 HydrophobicContact CG2-CG1 4Å; V29-I92 HydrophobicContact CG2-CG1 4.12Å
30K94Very high91.3Very high54 Ų5442.9 Ų42.924%0.23524%0.237CC..Hα-helixtrans-55.8-39.4179.1-89.7176.4-168.8170.70113.5A26 N27 S32 L33 I92 Q448 N452A26-K30 VanDerWaalsContact O-CG 3.3Å; A26-K30 WeakPolarHBondContact O-CG 3.31Å; A26-K30 PolarHBondContact O-N 3.24Å; N27-K30 WeakPolarHBondContact OD1-CD 3.26Å; N27-K30 WeakPolarHBondContact OD1-CE 3.36Å; N27-K30 PolarHBondContact OD1-NZ 2.88Å; K30-S32 VanDerWaalsContact C-N 3.27Å; K30-S32 PolarHBondContact O-N 3.36Å; K30-L33 PolarHBondContact O-N 3.32Å; K30-I92 HydrophobicContact CG-CD1 4Å; K30-I92 HydrophobicContact CG-CG1 3.97Å; K30-Q448 HydrophobicContact CB-CG 4.22Å; K30-Q448 HydrophobicContact CG-CG 4.12Å; K30-Q448 PolarHBondContact O-NE2 2.8Å; K30-N452 PolarHBondContact O-ND2 2.89Å; K30-N452 PolarHBondContact O-OD1 3.22Å
31T93.4Very high91.3Very high57 Ų5743.2 Ų43.235%0.3524%0.237SC..THydrogen-bonded Turntrans-74.6-15.3-176.763.90000113.4V29 G37 L38 K40V29-T31 VanDerWaalsContact C-N 3.27Å; V29-T31 PolarHBondContact O-N 3.4Å; T31-G37 WeakPolarHBondContact O-CA 3.46Å; T31-L38 PolarHBondContact O-N 3.45Å; T31-K40 VanDerWaalsContact OG1-CE 3.32Å; T31-K40 WeakPolarHBondContact OG1-CE 3.38Å; T31-K40 PolarHBondContact OG1-NZ 2.78Å
32S92.1Very high91.2Very high1 Ų144.1 Ų44.11%0.00724%0.239CC..THydrogen-bonded Turntrans-92.4-8.6176.5620000113.1V29 K30 G34 N53V29-S32 PolarHBondContact O-N 3.42Å; V29-S32 VanDerWaalsContact O-N 3.15Å; V29-S32 PolarHBondContact O-OG 3.49Å; K30-S32 VanDerWaalsContact C-N 3.27Å; K30-S32 PolarHBondContact O-N 3.36Å; S32-G34 PolarHBondContact O-N 2.85Å; S32-N53 WeakPolarHBondContact CB-O 3.44Å; S32-N53 PolarHBondContact O-OD1 2.79Å; S32-N53 PolarHBondContact OG-O 3.12Å
33L93.2Very high91.2Very high13 Ų1348.4 Ų48.47%0.06827%0.266CS..  trans-69.6126.2-177.9-175.772.8000113K30 T88 S89 I92 I445 Q448 L449 N452K30-L33 PolarHBondContact O-N 3.32Å; L33-T88 HydrophobicContact CB-CG2 3.86Å; L33-T88 HydrophobicContact CD1-CG2 3.92Å; L33-T88 HydrophobicContact CG-CG2 4.47Å; L33-S89 WeakPolarHBondContact CD1-OG 3.36Å; L33-I92 HydrophobicContact CB-CD1 4.03Å; L33-I92 HydrophobicContact CD1-CD1 4.45Å; L33-I92 HydrophobicContact CD2-CD1 3.83Å; L33-I92 HydrophobicContact CG-CD1 4.31Å; L33-I445 HydrophobicContact CD2-CD1 4.37Å; L33-I445 HydrophobicContact CD2-CG2 4.37Å; L33-Q448 HydrophobicContact CB-CG 4.32Å; L33-Q448 HydrophobicContact CD2-CB 3.81Å; L33-Q448 HydrophobicContact CD2-CG 3.81Å; L33-L449 HydrophobicContact CD2-CD2 4.18Å; L33-L449 HydrophobicContact CD2-CG 4.26Å; L33-L449 HydrophobicContact CG-CD2 3.94Å; L33-N452 PolarHBondContact O-ND2 3.39Å
34G90Very high91.1Very high11 Ų1150.8 Ų50.811%0.11328%0.277CS..SBendtrans92.8173.3169.600000114.2S32 V36 G37 S155 L449S32-G34 PolarHBondContact O-N 2.85Å; G34-V36 PolarHBondContact O-N 3.5Å; G34-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 2.79Å; G34-S155 WeakPolarHBondContact O-CB 3.39Å; G34-L449 VanDerWaalsContact CA-CD2 3.43Å
35P87.7Confident91.1Very high58 Ų5856.9 Ų56.938%0.37731%0.305SS..THydrogen-bonded Turntrans-67.4-21.3-173.427.1-35.8000114.4S154 L487P35-S154 VanDerWaalsContact CA-O 3.3Å; P35-S154 WeakPolarHBondContact CA-O 3.41Å; P35-L487 HydrophobicContact CG-CD1 3.95Å
36V88.7Confident91.4Very high47 Ų4761.7 Ų61.729%0.28534%0.336SS..THydrogen-bonded Turntrans-99.23.7175.2-64.60000111.9G34 N452 A453 L487G34-V36 PolarHBondContact O-N 3.5Å; V36-N452 HydrophobicContact CG2-CB 3.97Å; V36-A453 HydrophobicContact CG2-CB 3.87Å; V36-L487 HydrophobicContact CG2-CD1 3.75Å
37G88Confident91.2Very high9 Ų963.8 Ų63.89%0.09336%0.357CS..  trans-66.3153.1171.200000110.7T31 G34T31-G37 WeakPolarHBondContact O-CA 3.46Å; G34-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 2.79Å
38L90.1Very high91.1Very high129 Ų12964.5 Ų64.568%0.67536%0.361SS*.  trans-113.7140.5-178.3-61.7176.6000111.1T31T31-L38 PolarHBondContact O-N 3.45Å
39D89.8Confident91.2Very high47 Ų4761.2 Ų61.225%0.25135%0.349SS..  trans-68159.1177.8-59.93.5000111.1I51 N53 L157D39-I51 HydrophobicContact CB-CG2 4.12Å; D39-N53 VanDerWaalsContact OD1-CB 3.24Å; D39-N53 WeakPolarHBondContact OD1-CB 3.46Å; D39-N53 PolarHBondContact OD1-ND2 2.85Å; D39-L157 WeakPolarHBondContact OD2-CD2 3.29Å; D39-L157 VanDerWaalsContact OD2-CG 3.23Å; D39-L157 WeakPolarHBondContact OD2-CG 3.42Å
40K91.1Very high91Very high57 Ų5762.9 Ų62.925%0.24836%0.359CS..EExtended strand (participates in β ladder)trans-114.9141.1174.5-63.5-165.4-178.2-56.40110.8F28 T31 I51 T52 I58F28-K40 WeakPolarHBondContact O-CE 3.45Å; T31-K40 VanDerWaalsContact OG1-CE 3.32Å; T31-K40 WeakPolarHBondContact OG1-CE 3.38Å; T31-K40 PolarHBondContact OG1-NZ 2.78Å; K40-I51 WeakPolarHBondContact O-CA 3.44Å; K40-T52 PolarHBondContact N-O 2.94Å; K40-T52 PolarHBondContact O-N 3.29Å; K40-I58 HydrophobicContact CB-CD1 4.45Å; K40-I58 HydrophobicContact CD-CD1 4.31Å; K40-I58 HydrophobicContact CG-CD1 4.36Å
41M92.1Very high90.9Very high124 Ų12463.1 Ų63.161%0.61136%0.362SS*.EExtended strand (participates in β ladder)trans-95.9118168.2-172-177.6175.200108V43 V49 I51M41-V43 HydrophobicContact CE-CG2 4.2Å; M41-V43 HydrophobicContact CG-CG2 4.48Å; M41-V49 HydrophobicContact CE-CB 4.07Å; M41-V49 HydrophobicContact CE-CG1 3.31Å; M41-V49 HydrophobicContact CE-CG2 3.52Å; M41-V49 HydrophobicContact CG-CG1 3.47Å; M41-V49 VanDerWaalsContact CG-CG1 3.47Å; M41-V49 HydrophobicContact SD-CG1 4.11Å; M41-I51 HydrophobicContact CB-CG1 4.47Å; M41-I51 HydrophobicContact CG-CG1 4.25Å
42L91.7Very high90.7Very high35 Ų3560.4 Ų60.418%0.18335%0.346CS..EExtended strand (participates in β ladder)trans-110.6130.2175.7-62171.1000107.6V49 T50 I58 L61L42-V49 WeakPolarHBondContact O-CA 3.49Å; L42-T50 PolarHBondContact N-O 3.38Å; L42-T50 PolarHBondContact O-N 3.32Å; L42-I58 HydrophobicContact CD1-CB 4.44Å; L42-I58 HydrophobicContact CD1-CG1 4.4Å; L42-I58 HydrophobicContact CD1-CG2 4.41Å; L42-L61 HydrophobicContact CB-CD1 4.27Å; L42-L61 HydrophobicContact CD1-CB 3.82Å; L42-L61 HydrophobicContact CD1-CD1 3.61Å; L42-L61 HydrophobicContact CD1-CG 4.36Å
43V92.9Very high90.6Very high91 Ų9160.6 Ų60.655%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-116.8126.6-179.1-172.80000106.9M41 D48 V49M41-V43 HydrophobicContact CE-CG2 4.2Å; M41-V43 HydrophobicContact CG-CG2 4.48Å; V43-D48 WeakPolarHBondContact CA-O 3.29Å; V43-V49 HydrophobicContact CG2-CG2 4.31Å
44D91.1Very high90.3Very high77 Ų7760.5 Ų60.541%0.41235%0.346SS..  trans-82.3176.3174.874.18.4000112V46 G47 D48D44-V46 PolarHBondContact O-N 3.01Å; D44-V46 WeakPolarHBondContact OD1-CA 2.86Å; D44-V46 WeakPolarHBondContact OD1-CB 3.11Å; D44-V46 PolarHBondContact OD1-N 3.17Å; D44-G47 PolarHBondContact O-N 3.23Å; D44-G47 VanDerWaalsContact O-N 3.14Å; D44-G47 PolarHBondContact OD1-N 3.4Å; D44-D48 PolarHBondContact N-O 3.18Å; D44-D48 VanDerWaalsContact N-O 3.08Å; D44-D48 PolarHBondContact OD1-N 3.36Å; D44-D48 WeakPolarHBondContact OD2-CB 3.22Å
45D91.1Very high90.2Very high182 Ų18260 Ų6097%0.97334%0.34SS*.THydrogen-bonded Turntrans-66.8-20-179.1-65-29.7000113.3
46V93.3Very high90.3Very high125 Ų12557.4 Ų57.476%0.75833%0.325SS*.THydrogen-bonded Turntrans-82.5-23.7177.4-1770000110.8D44D44-V46 PolarHBondContact O-N 3.01Å; D44-V46 WeakPolarHBondContact OD1-CA 2.86Å; D44-V46 WeakPolarHBondContact OD1-CB 3.11Å; D44-V46 PolarHBondContact OD1-N 3.17Å
47G90Very high90.4Very high43 Ų4356.6 Ų56.644%0.44332%0.32SS..  trans102.86.2-176.700000113.8D44D44-G47 PolarHBondContact O-N 3.23Å; D44-G47 VanDerWaalsContact O-N 3.14Å; D44-G47 PolarHBondContact OD1-N 3.4Å
48D89.9Confident90.6Very high99 Ų9956.3 Ų56.353%0.52932%0.316SS..  trans-70.2134173.9-72.3-22.2000109.8V43 D44V43-D48 WeakPolarHBondContact CA-O 3.29Å; D44-D48 PolarHBondContact N-O 3.18Å; D44-D48 VanDerWaalsContact N-O 3.08Å; D44-D48 PolarHBondContact OD1-N 3.36Å; D44-D48 WeakPolarHBondContact OD2-CB 3.22Å
49V91.4Very high90.6Very high27 Ų2750.2 Ų50.216%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-103.3126.9-174.7179.40000109.5M41 L42 V43 I51 F380M41-V49 HydrophobicContact CE-CB 4.07Å; M41-V49 HydrophobicContact CE-CG1 3.31Å; M41-V49 HydrophobicContact CE-CG2 3.52Å; M41-V49 HydrophobicContact CG-CG1 3.47Å; M41-V49 VanDerWaalsContact CG-CG1 3.47Å; M41-V49 HydrophobicContact SD-CG1 4.11Å; L42-V49 WeakPolarHBondContact O-CA 3.49Å; V43-V49 HydrophobicContact CG2-CG2 4.31Å; V49-I51 HydrophobicContact CG1-CG1 4.03Å; V49-F380 HydrophobicContact CB-CD1 4.44Å; V49-F380 HydrophobicContact CB-CE1 4.09Å; V49-F380 HydrophobicContact CB-CZ 4.33Å; V49-F380 WeakPolarHBondContact O-CD1 3.41Å; V49-F380 WeakPolarHBondContact O-CE1 3.38Å
50T89.9Confident90.7Very high34 Ų3455.2 Ų55.221%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-113.3118.2166.2-60.40000109.8L42 T52 L61L42-T50 PolarHBondContact N-O 3.38Å; L42-T50 PolarHBondContact O-N 3.32Å; T50-T52 HydrophobicContact CG2-CG2 4.34Å; T50-L61 HydrophobicContact CG2-CD1 3.84Å
51I91.2Very high90.6Very high60 Ų6056.8 Ų56.831%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-98.8124.8170.5-57173.2000107.2D39 K40 M41 V49D39-I51 HydrophobicContact CB-CG2 4.12Å; K40-I51 WeakPolarHBondContact O-CA 3.44Å; M41-I51 HydrophobicContact CB-CG1 4.47Å; M41-I51 HydrophobicContact CG-CG1 4.25Å; V49-I51 HydrophobicContact CG1-CG1 4.03Å
52T89.5Confident90.5Very high0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-156.4150.3178.1-1700000113.8K40 T50 D54 T57 I58 E384K40-T52 PolarHBondContact N-O 2.94Å; K40-T52 PolarHBondContact O-N 3.29Å; T50-T52 HydrophobicContact CG2-CG2 4.34Å; T52-D54 PolarHBondContact OG1-N 3.04Å; T52-T57 HydrophobicContact CG2-CG2 3.87Å; T52-I58 HydrophobicContact CG2-CG1 3.74Å; T52-E384 VanDerWaalsContact CA-CD 3.49Å; T52-E384 WeakPolarHBondContact CA-OE1 3.45Å; T52-E384 WeakPolarHBondContact CA-OE2 3.35Å; T52-E384 WeakPolarHBondContact CB-OE2 3.2Å; T52-E384 PolarHBondContact OG1-OE1 3.35Å; T52-E384 VanDerWaalsContact OG1-OE1 3.08Å; T52-E384 PolarHBondContact OG1-OE2 3.39Å
53N89.7Confident90.4Very high4 Ų458.9 Ų58.92%0.02133%0.328CS..  trans-94-22.8168.5-161.4-89.9000112.8S32 D39 G55 S155 E384S32-N53 WeakPolarHBondContact CB-O 3.44Å; S32-N53 PolarHBondContact O-OD1 2.79Å; S32-N53 PolarHBondContact OG-O 3.12Å; D39-N53 VanDerWaalsContact OD1-CB 3.24Å; D39-N53 WeakPolarHBondContact OD1-CB 3.46Å; D39-N53 PolarHBondContact OD1-ND2 2.85Å; N53-G55 PolarHBondContact O-N 3.18Å; N53-S155 PolarHBondContact ND2-O 3.4Å; N53-S155 PolarHBondContact OD1-O 2.76Å; N53-S155 PolarHBondContact OD1-OG 3.04Å; N53-E384 PolarHBondContact N-OE1 2.96Å; N53-E384 VanDerWaalsContact N-OE1 3.11Å
54D87.4Confident90.1Very high11 Ų1155.2 Ų55.26%0.05931%0.306CS..  trans-67.9121.4-170168.840.3000111.7T52 A56 T57 I58 T87T52-D54 PolarHBondContact OG1-N 3.04Å; D54-A56 VanDerWaalsContact C-N 3.27Å; D54-A56 PolarHBondContact O-N 3.23Å; D54-A56 PolarHBondContact OD1-N 3.29Å; D54-A56 VanDerWaalsContact OD1-N 3.09Å; D54-T57 PolarHBondContact O-N 2.87Å; D54-T57 WeakPolarHBondContact OD2-CB 3.39Å; D54-T57 PolarHBondContact OD2-N 2.95Å; D54-T57 PolarHBondContact OD2-OG1 3.13Å; D54-I58 VanDerWaalsContact O-CG1 3.28Å; D54-I58 WeakPolarHBondContact O-CG1 3.19Å; D54-I58 PolarHBondContact O-N 3.32Å; D54-T87 PolarHBondContact OD1-OG1 3.37Å
55G88.3Confident89.9Confident0 Ų059 Ų590%032%0.321CS..Hα-helixtrans-59.6-34.7179.700000113.1N53 L59 T88N53-G55 PolarHBondContact O-N 3.18Å; G55-L59 VanDerWaalsContact O-CB 3.27Å; G55-L59 WeakPolarHBondContact O-CB 3.26Å; G55-L59 WeakPolarHBondContact O-CD1 3.43Å; G55-L59 WeakPolarHBondContact O-CG 3.42Å; G55-L59 PolarHBondContact O-N 3.18Å; G55-T88 WeakPolarHBondContact CA-OG1 3.33Å; G55-T88 PolarHBondContact N-OG1 2.92Å
56A90.3Very high89.8Confident5 Ų552.8 Ų52.84%0.04129%0.286CS..Hα-helixtrans-69.4-44178.900000111.4D54 L59 K60 A76 D80 T87D54-A56 VanDerWaalsContact C-N 3.27Å; D54-A56 PolarHBondContact O-N 3.23Å; D54-A56 PolarHBondContact OD1-N 3.29Å; D54-A56 VanDerWaalsContact OD1-N 3.09Å; A56-L59 PolarHBondContact O-N 3.31Å; A56-K60 VanDerWaalsContact O-CB 3.28Å; A56-K60 WeakPolarHBondContact O-CB 3.24Å; A56-K60 PolarHBondContact O-N 3.05Å; A56-A76 HydrophobicContact CB-CB 4.27Å; A56-D80 HydrophobicContact CB-CB 4.09Å; A56-T87 HydrophobicContact CB-CG2 3.74Å
57T89.6Confident89.7Confident30 Ų3049.7 Ų49.718%0.18427%0.268CS..Hα-helixtrans-64.1-44.8176.4-57.20000111.7T52 D54 L59 K60 L61T52-T57 HydrophobicContact CG2-CG2 3.87Å; D54-T57 PolarHBondContact O-N 2.87Å; D54-T57 WeakPolarHBondContact OD2-CB 3.39Å; D54-T57 PolarHBondContact OD2-N 2.95Å; D54-T57 PolarHBondContact OD2-OG1 3.13Å; T57-L59 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.2Å; T57-K60 PolarHBondContact O-N 2.9Å; T57-L61 HydrophobicContact CG2-CD1 4.15Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 2.8Å
58I91.9Very high89.7Confident2 Ų247.7 Ų47.71%0.0125%0.247CC..Hα-helixtrans-56.5-50175.2-66.7167.4000110.3V29 K40 L42 T52 D54 K60 L61 L62V29-I58 HydrophobicContact CG1-CG2 4.39Å; K40-I58 HydrophobicContact CB-CD1 4.45Å; K40-I58 HydrophobicContact CD-CD1 4.31Å; K40-I58 HydrophobicContact CG-CD1 4.36Å; L42-I58 HydrophobicContact CD1-CB 4.44Å; L42-I58 HydrophobicContact CD1-CG1 4.4Å; L42-I58 HydrophobicContact CD1-CG2 4.41Å; T52-I58 HydrophobicContact CG2-CG1 3.74Å; D54-I58 VanDerWaalsContact O-CG1 3.28Å; D54-I58 WeakPolarHBondContact O-CG1 3.19Å; D54-I58 PolarHBondContact O-N 3.32Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.01Å; I58-L61 PolarHBondContact O-N 3.06Å; I58-L62 HydrophobicContact CG2-CD1 4.42Å; I58-L62 WeakPolarHBondContact O-CG 3.32Å; I58-L62 PolarHBondContact O-N 2.72Å
59L91.7Very high89.7Confident1 Ų143 Ų431%0.00522%0.223CC..Hα-helixtrans-70.1-27.7-176-69.9175.3000113.5F25 V29 G55 A56 T57 L62 V73 A76 V91F25-L59 HydrophobicContact CD1-CD2 3.47Å; F25-L59 VanDerWaalsContact CD1-CD2 3.47Å; F25-L59 HydrophobicContact CE1-CD2 3.56Å; V29-L59 HydrophobicContact CG1-CD1 4.07Å; V29-L59 HydrophobicContact CG1-CD2 3.97Å; V29-L59 HydrophobicContact CG1-CG 3.82Å; G55-L59 VanDerWaalsContact O-CB 3.27Å; G55-L59 WeakPolarHBondContact O-CB 3.26Å; G55-L59 WeakPolarHBondContact O-CD1 3.43Å; G55-L59 WeakPolarHBondContact O-CG 3.42Å; G55-L59 PolarHBondContact O-N 3.18Å; A56-L59 PolarHBondContact O-N 3.31Å; T57-L59 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.2Å; L59-L62 HydrophobicContact CD2-CD1 4.31Å; L59-V73 HydrophobicContact CB-CG2 4.27Å; L59-A76 HydrophobicContact CD1-CB 3.72Å; L59-V91 HydrophobicContact CD1-CB 4.49Å; L59-V91 HydrophobicContact CD1-CG1 4.29Å; L59-V91 HydrophobicContact CD1-CG2 3.7Å
60K90.6Very high89.8Confident152 Ų15246.9 Ų46.966%0.66124%0.237SC*.Hα-helixtrans-72.7-32.8176.3-177.5179.5177.2-176.90112.6A56 T57 I58A56-K60 VanDerWaalsContact O-CB 3.28Å; A56-K60 WeakPolarHBondContact O-CB 3.24Å; A56-K60 PolarHBondContact O-N 3.05Å; T57-K60 PolarHBondContact O-N 2.9Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.01Å
61L90.2Very high90Very high90 Ų9047.1 Ų47.147%0.47124%0.237SC..Hα-helixtrans-82.1-16.8-179.8-71173.6000113L42 T50 T57 I58L42-L61 HydrophobicContact CB-CD1 4.27Å; L42-L61 HydrophobicContact CD1-CB 3.82Å; L42-L61 HydrophobicContact CD1-CD1 3.61Å; L42-L61 HydrophobicContact CD1-CG 4.36Å; T50-L61 HydrophobicContact CG2-CD1 3.84Å; T57-L61 HydrophobicContact CG2-CD1 4.15Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 2.8Å; I58-L61 PolarHBondContact O-N 3.06Å
62L89.7Confident90.1Very high46 Ų4644.3 Ų44.324%0.24122%0.222CC..SBendtrans-77.3127.5172.6-67.1173.5000110F25 F28 I58 L59 V64F25-L62 HydrophobicContact CE1-CD1 4.18Å; F25-L62 HydrophobicContact CZ-CB 4.31Å; F25-L62 HydrophobicContact CZ-CD1 4.16Å; F28-L62 HydrophobicContact CB-CD1 4.44Å; F28-L62 HydrophobicContact CD2-CD1 3.95Å; F28-L62 HydrophobicContact CE2-CD1 4.44Å; F28-L62 HydrophobicContact CG-CD1 4.2Å; I58-L62 HydrophobicContact CG2-CD1 4.42Å; I58-L62 WeakPolarHBondContact O-CG 3.32Å; I58-L62 PolarHBondContact O-N 2.72Å; L59-L62 HydrophobicContact CD2-CD1 4.31Å; L62-V64 HydrophobicContact CB-CG2 4.27Å; L62-V64 WeakPolarHBondContact O-CG2 3.35Å; L62-V64 PolarHBondContact O-N 3.12Å
63D88Confident90.3Very high158 Ų15845.1 Ų45.185%0.84523%0.227SC*.  trans-75.8120.8169-169.713.8000110
64V86.8Confident90.4Very high14 Ų1450.9 Ų50.99%0.08525%0.254CS..  trans-121.5108.2-168.1-168.50000110.1F25 L62 A69 K70 V73F25-V64 HydrophobicContact CE1-CG1 4.3Å; F25-V64 HydrophobicContact CE1-CG2 3.68Å; F25-V64 HydrophobicContact CE2-CG1 3.91Å; F25-V64 HydrophobicContact CE2-CG2 4.22Å; F25-V64 HydrophobicContact CZ-CB 4.05Å; F25-V64 HydrophobicContact CZ-CG1 3.7Å; F25-V64 HydrophobicContact CZ-CG2 3.24Å; L62-V64 HydrophobicContact CB-CG2 4.27Å; L62-V64 WeakPolarHBondContact O-CG2 3.35Å; L62-V64 PolarHBondContact O-N 3.12Å; V64-A69 HydrophobicContact CG1-CB 3.26Å; V64-K70 HydrophobicContact CB-CG 4.35Å; V64-K70 HydrophobicContact CG1-CG 4.22Å; V64-K70 WeakPolarHBondContact O-CE 3.47Å; V64-V73 HydrophobicContact CG2-CG2 3.83Å
65E87.6Confident90.8Very high155 Ų15551 Ų5172%0.72425%0.254SS*.  trans-80.7-38.6176-63.5-170.5172.600112.6
66H89.6Confident91.1Very high52 Ų5251 Ų5124%0.24125%0.254CS..SBendtrans-72.1128.1-168.7-167-74.3000112.5N18 A21 A68 A69 K70N18-H66 PolarHBondContact OD1-CE1 3.04Å; N18-H66 VanDerWaalsContact OD1-CE1 3.29Å; A21-H66 HydrophobicContact CB-CB 4.45Å; H66-A68 PolarHBondContact ND1-N 3.42Å; H66-A68 VanDerWaalsContact ND1-N 3.2Å; H66-A68 PolarHBondContact O-N 3.17Å; H66-A69 HydrophobicContact CB-CB 4.29Å; H66-A69 PolarHBondContact O-N 3.23Å; H66-K70 PolarHBondContact O-N 3.35Å
67P89.8Confident91.2Very high61 Ų6153.9 Ų53.940%0.39627%0.267SS..Hα-helixtrans-58.2-43.2-175.2-27.535.3000114.7A69 K70 I71 L527P67-A69 PolarHBondContact O-N 2.86Å; P67-K70 WeakPolarHBondContact O-CB 3.4Å; P67-K70 PolarHBondContact O-N 2.83Å; P67-I71 WeakPolarHBondContact O-CG1 3.35Å; P67-I71 PolarHBondContact O-N 2.72Å; P67-I71 VanDerWaalsContact O-N 3.1Å; P67-L527 HydrophobicContact CG-CD1 4.02Å
68A90.6Very high91.4Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-61.4-33.2177.500000112.9N18 H66 L72 I521N18-A68 HydrophobicContact CB-CB 4.11Å; H66-A68 PolarHBondContact ND1-N 3.42Å; H66-A68 VanDerWaalsContact ND1-N 3.2Å; H66-A68 PolarHBondContact O-N 3.17Å; A68-L72 PolarHBondContact O-N 2.89Å; A68-I521 HydrophobicContact CB-CD1 4.35Å; A68-I521 HydrophobicContact CB-CG1 4.41Å; A68-I521 HydrophobicContact CB-CG2 4.29Å
69A91.2Very high91.5Very high1 Ų156 Ų561%0.00828%0.277CS..Hα-helixtrans-75.9-37.3176.700000111.2F25 V64 H66 P67 I71 L72 V73F25-A69 HydrophobicContact CD1-CB 4.19Å; F25-A69 HydrophobicContact CD2-CB 3.56Å; F25-A69 HydrophobicContact CE1-CB 4.42Å; F25-A69 HydrophobicContact CE2-CB 3.82Å; F25-A69 HydrophobicContact CG-CB 3.81Å; F25-A69 HydrophobicContact CZ-CB 4.28Å; V64-A69 HydrophobicContact CG1-CB 3.26Å; H66-A69 HydrophobicContact CB-CB 4.29Å; H66-A69 PolarHBondContact O-N 3.23Å; P67-A69 PolarHBondContact O-N 2.86Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 3Å; A69-L72 WeakPolarHBondContact O-CA 3.31Å; A69-L72 WeakPolarHBondContact O-CB 3.47Å; A69-L72 PolarHBondContact O-N 3.2Å; A69-V73 WeakPolarHBondContact O-CG2 3.5Å; A69-V73 PolarHBondContact O-N 3.39Å
70K92.4Very high91.5Very high108 Ų10858 Ų5847%0.4729%0.288SS..Hα-helixtrans-56.4-38.9170.7-68.6-173.3178.6-176.40112.5V64 H66 P67 L72 V73 Q74V64-K70 HydrophobicContact CB-CG 4.35Å; V64-K70 HydrophobicContact CG1-CG 4.22Å; V64-K70 WeakPolarHBondContact O-CE 3.47Å; H66-K70 PolarHBondContact O-N 3.35Å; P67-K70 WeakPolarHBondContact O-CB 3.4Å; P67-K70 PolarHBondContact O-N 2.83Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 2.88Å; K70-V73 PolarHBondContact O-N 2.85Å; K70-Q74 WeakPolarHBondContact O-CG 3.49Å; K70-Q74 PolarHBondContact O-N 2.63Å
71I93.8Very high91.5Very high40 Ų4058.1 Ų58.121%0.20529%0.291CS..Hα-helixtrans-61-40.4174.6-66.1169000110.9P67 A69 Q74 L75 A517 T520 I521P67-I71 WeakPolarHBondContact O-CG1 3.35Å; P67-I71 PolarHBondContact O-N 2.72Å; P67-I71 VanDerWaalsContact O-N 3.1Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 3Å; I71-Q74 PolarHBondContact O-N 2.7Å; I71-L75 WeakPolarHBondContact O-CB 3.15Å; I71-L75 PolarHBondContact O-N 2.95Å; I71-A517 HydrophobicContact CG2-CB 4.34Å; I71-T520 HydrophobicContact CD1-CG2 4.34Å; I71-I521 HydrophobicContact CB-CD1 4.27Å; I71-I521 HydrophobicContact CB-CG1 4.47Å; I71-I521 HydrophobicContact CD1-CG1 3.84Å; I71-I521 HydrophobicContact CG2-CD1 4.06Å; I71-I521 HydrophobicContact CG2-CG1 4.26Å
72L93.3Very high91.4Very high0 Ų058.1 Ų58.10%029%0.288CS..Hα-helixtrans-70.4-33.9176.7-65.1179.8000113.1A22 F25 A68 A69 K70 L75 A76 V91 A94 I521A22-L72 HydrophobicContact CB-CD1 3.76Å; F25-L72 HydrophobicContact CB-CD1 4.26Å; A68-L72 PolarHBondContact O-N 2.89Å; A69-L72 WeakPolarHBondContact O-CA 3.31Å; A69-L72 WeakPolarHBondContact O-CB 3.47Å; A69-L72 PolarHBondContact O-N 3.2Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 2.88Å; L72-L75 HydrophobicContact CD2-CD2 3.97Å; L72-L75 WeakPolarHBondContact O-CB 3.27Å; L72-L75 PolarHBondContact O-N 2.97Å; L72-A76 PolarHBondContact O-N 3.16Å; L72-V91 HydrophobicContact CD1-CG1 4.47Å; L72-A94 HydrophobicContact CD2-CB 3.8Å; L72-I521 HydrophobicContact CD2-CD1 4.49Å
73V93.3Very high91.3Very high17 Ų1755.9 Ų55.910%0.10328%0.277CS..Hα-helixtrans-63.4-48172.91770000110.2F25 L59 V64 A69 K70 L75 A76 Q77F25-V73 HydrophobicContact CE1-CG2 4Å; L59-V73 HydrophobicContact CB-CG2 4.27Å; V64-V73 HydrophobicContact CG2-CG2 3.83Å; A69-V73 WeakPolarHBondContact O-CG2 3.5Å; A69-V73 PolarHBondContact O-N 3.39Å; K70-V73 PolarHBondContact O-N 2.85Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 2.83Å; V73-A76 PolarHBondContact O-N 3.37Å; V73-Q77 WeakPolarHBondContact O-CG 3.46Å; V73-Q77 PolarHBondContact O-N 3.06Å
74Q93.4Very high91.1Very high125 Ų12548.4 Ų48.458%0.58424%0.237SC*.Hα-helixtrans-62.3-37176.5-71.2177-5.800112.1K70 I71 Q77 L78K70-Q74 WeakPolarHBondContact O-CG 3.49Å; K70-Q74 PolarHBondContact O-N 2.63Å; I71-Q74 PolarHBondContact O-N 2.7Å; Q74-Q77 PolarHBondContact O-N 3.42Å; Q74-L78 VanDerWaalsContact O-CB 3.24Å; Q74-L78 WeakPolarHBondContact O-CB 3.44Å; Q74-L78 PolarHBondContact O-N 3.26Å
75L94.7Very high91.2Very high13 Ų1349.4 Ų49.47%0.06824%0.242CC..Hα-helixtrans-60-45.7174.3173.966.7000111.9I71 L72 V73 L78 Q79 V90 A94 F513 A517I71-L75 WeakPolarHBondContact O-CB 3.15Å; I71-L75 PolarHBondContact O-N 2.95Å; L72-L75 HydrophobicContact CD2-CD2 3.97Å; L72-L75 WeakPolarHBondContact O-CB 3.27Å; L72-L75 PolarHBondContact O-N 2.97Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 2.83Å; L75-L78 PolarHBondContact O-N 3.24Å; L75-Q79 WeakPolarHBondContact O-CB 3.33Å; L75-Q79 PolarHBondContact O-N 3.27Å; L75-V90 HydrophobicContact CD1-CG2 3.81Å; L75-V90 HydrophobicContact CD2-CG1 4.49Å; L75-V90 HydrophobicContact CD2-CG2 4.03Å; L75-V90 HydrophobicContact CG-CG1 4.12Å; L75-V90 HydrophobicContact CG-CG2 3.93Å; L75-A94 HydrophobicContact CD2-CB 3.79Å; L75-F513 HydrophobicContact CD1-CB 3.43Å; L75-F513 VanDerWaalsContact CD1-CB 3.43Å; L75-A517 HydrophobicContact CD1-CB 4.2Å; L75-A517 HydrophobicContact CD2-CB 3.75Å; L75-A517 HydrophobicContact CG-CB 4.43Å
76A94.2Very high91.3Very high0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-64.9-43.6178.500000111.7A56 L59 L72 V73 Q79 D80 V91A56-A76 HydrophobicContact CB-CB 4.27Å; L59-A76 HydrophobicContact CD1-CB 3.72Å; L72-A76 PolarHBondContact O-N 3.16Å; V73-A76 PolarHBondContact O-N 3.37Å; A76-Q79 PolarHBondContact O-N 3.36Å; A76-D80 PolarHBondContact O-N 2.84Å; A76-V91 HydrophobicContact CB-CG2 3.91Å
77Q92.9Very high91.4Very high66 Ų6640.3 Ų40.331%0.30820%0.202SC..Hα-helixtrans-62.4-43.7176-70.3173.8-5.200112V73 Q74 Q79 D80 E81V73-Q77 WeakPolarHBondContact O-CG 3.46Å; V73-Q77 PolarHBondContact O-N 3.06Å; Q74-Q77 PolarHBondContact O-N 3.42Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q77-Q79 PolarHBondContact O-N 3.49Å; Q77-D80 WeakPolarHBondContact O-CB 3.43Å; Q77-D80 PolarHBondContact O-N 3.04Å; Q77-E81 WeakPolarHBondContact O-CG 3.3Å; Q77-E81 PolarHBondContact O-N 3.33Å
78L94.1Very high91.6Very high76 Ų7637.9 Ų37.940%0.39819%0.186SC..Hα-helixtrans-64.8-37.4178.8-175.5143.9000111.7Q74 L75 E82 F513Q74-L78 VanDerWaalsContact O-CB 3.24Å; Q74-L78 WeakPolarHBondContact O-CB 3.44Å; Q74-L78 PolarHBondContact O-N 3.26Å; L75-L78 PolarHBondContact O-N 3.24Å; L78-E82 HydrophobicContact CD2-CG 4.47Å; L78-E82 WeakPolarHBondContact O-CB 3.3Å; L78-E82 WeakPolarHBondContact O-CG 3.45Å; L78-E82 PolarHBondContact O-N 2.98Å; L78-F513 HydrophobicContact CD2-CD1 3.87Å; L78-F513 HydrophobicContact CD2-CD2 3.45Å; L78-F513 VanDerWaalsContact CD2-CD2 3.45Å; L78-F513 HydrophobicContact CD2-CE1 3.67Å; L78-F513 HydrophobicContact CD2-CE2 3.23Å; L78-F513 HydrophobicContact CD2-CG 3.78Å; L78-F513 HydrophobicContact CD2-CZ 3.35Å
79Q93.7Very high91.7Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-64.9-41.5173.7-179.567.523.900111.7L75 A76 Q77 V83 G84 D85 V90 S510 F513L75-Q79 WeakPolarHBondContact O-CB 3.33Å; L75-Q79 PolarHBondContact O-N 3.27Å; A76-Q79 PolarHBondContact O-N 3.36Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q77-Q79 PolarHBondContact O-N 3.49Å; Q79-V83 WeakPolarHBondContact O-CA 3.4Å; Q79-V83 WeakPolarHBondContact O-CB 3.47Å; Q79-V83 PolarHBondContact O-N 3.02Å; Q79-G84 PolarHBondContact O-N 2.81Å; Q79-D85 WeakPolarHBondContact CG-O 3.41Å; Q79-D85 PolarHBondContact NE2-O 3.46Å; Q79-V90 HydrophobicContact CB-CG1 3.94Å; Q79-V90 HydrophobicContact CG-CB 4.46Å; Q79-V90 HydrophobicContact CG-CG1 4.04Å; Q79-S510 PolarHBondContact NE2-OG 2.9Å; Q79-F513 VanDerWaalsContact OE1-CD2 3.27Å
80D91.7Very high91.9Very high45 Ų4539.1 Ų39.124%0.24120%0.195CC..Hα-helixtrans-62-48.3176.6-17243.4000111.7A56 A76 Q77 E82 G84 T87A56-D80 HydrophobicContact CB-CB 4.09Å; A76-D80 PolarHBondContact O-N 2.84Å; Q77-D80 WeakPolarHBondContact O-CB 3.43Å; Q77-D80 PolarHBondContact O-N 3.04Å; D80-E82 PolarHBondContact O-N 2.91Å; D80-G84 WeakPolarHBondContact O-CA 3.42Å; D80-G84 PolarHBondContact O-N 2.8Å; D80-T87 HydrophobicContact CB-CG2 3.77Å
81E90.3Very high92.1Very high154 Ų15434 Ų3472%0.7217%0.172SC*.Hα-helixtrans-65.6-40178.9-69.1179-18000113.2Q77Q77-E81 WeakPolarHBondContact O-CG 3.3Å; Q77-E81 PolarHBondContact O-N 3.33Å
82E87.9Confident92.2Very high89 Ų8932.2 Ų32.242%0.41616%0.163SC..Hα-helixtrans-86.3-28.3-173.4-80-69.6153.200114.4L78 D80 R398 K509 F513L78-E82 HydrophobicContact CD2-CG 4.47Å; L78-E82 WeakPolarHBondContact O-CB 3.3Å; L78-E82 WeakPolarHBondContact O-CG 3.45Å; L78-E82 PolarHBondContact O-N 2.98Å; D80-E82 PolarHBondContact O-N 2.91Å; E82-R398 PolarHBondContact O-NE 3.44Å; E82-R398 PolarHBondContact O-NH2 2.94Å; E82-K509 HydrophobicContact CB-CD 4.29Å; E82-K509 PolarHBondContact O-NZ 3.13Å; E82-K509 IonicContact OE2-NZ 3.62Å; E82-K509 PolarHBondContact OE2-NZ 3.01Å; E82-F513 HydrophobicContact CB-CE2 4.25Å; E82-F513 HydrophobicContact CB-CZ 4.46Å; E82-F513 HydrophobicContact CG-CZ 4.37Å
83V87.4Confident92.3Very high0 Ų032.6 Ų32.60%017%0.165CC..THydrogen-bonded Turntrans-122.2-48.4-176.8179.90000110.8Q79 K509Q79-V83 WeakPolarHBondContact O-CA 3.4Å; Q79-V83 WeakPolarHBondContact O-CB 3.47Å; Q79-V83 PolarHBondContact O-N 3.02Å; V83-K509 HydrophobicContact CG2-CB 3.95Å; V83-K509 HydrophobicContact CG2-CD 3.56Å; V83-K509 HydrophobicContact CG2-CG 4.34Å
84G84.9Confident92.5Very high1 Ų131.8 Ų31.81%0.0116%0.16CC..SBendtrans88.611.7-172.900000114.8Q79 D80 D391Q79-G84 PolarHBondContact O-N 2.81Å; D80-G84 WeakPolarHBondContact O-CA 3.42Å; D80-G84 PolarHBondContact O-N 2.8Å; G84-D391 WeakPolarHBondContact O-CB 3.41Å
85D87.5Confident92.6Very high35 Ų3526 Ų2619%0.18713%0.134CC..SBendtrans-162.1163.8179-17529.9000110.6Q79 V395Q79-D85 WeakPolarHBondContact CG-O 3.41Å; Q79-D85 PolarHBondContact NE2-O 3.46Å; D85-V395 HydrophobicContact CB-CG2 3.37Å
86G89.8Confident92.7Very high8 Ų826.2 Ų26.28%0.08214%0.138CC..  trans78.617.9179.700000114.1T88 S89 V90G86-T88 PolarHBondContact O-N 2.92Å; G86-S89 PolarHBondContact O-N 3.36Å; G86-V90 PolarHBondContact O-N 3.45Å
87T92.4Very high92.8Very high7 Ų726.2 Ų26.24%0.04314%0.138CC..Hα-helixtrans-58.7-44.4178.456.70000111.6D54 A56 D80 V90 V91D54-T87 PolarHBondContact OD1-OG1 3.37Å; A56-T87 HydrophobicContact CB-CG2 3.74Å; D80-T87 HydrophobicContact CB-CG2 3.77Å; T87-V90 VanDerWaalsContact O-CG1 3.27Å; T87-V90 WeakPolarHBondContact O-CG1 3.3Å; T87-V91 WeakPolarHBondContact O-CG2 3.38Å
88T93.2Very high92.9Very high11 Ų1123.1 Ų23.17%0.06712%0.123CC..Hα-helixtrans-68.7-45.1175.6-59.30000111.9V29 L33 G55 G86 V90 V91 I92V29-T88 HydrophobicContact CB-CG2 3.99Å; V29-T88 HydrophobicContact CG2-CG2 4.23Å; V29-T88 VanDerWaalsContact O-CG2 3.24Å; V29-T88 WeakPolarHBondContact O-CG2 3.32Å; L33-T88 HydrophobicContact CB-CG2 3.86Å; L33-T88 HydrophobicContact CD1-CG2 3.92Å; L33-T88 HydrophobicContact CG-CG2 4.47Å; G55-T88 WeakPolarHBondContact CA-OG1 3.33Å; G55-T88 PolarHBondContact N-OG1 2.92Å; G86-T88 PolarHBondContact O-N 2.92Å; T88-V90 PolarHBondContact O-N 3.15Å; T88-V91 PolarHBondContact O-N 2.83Å; T88-I92 HydrophobicContact CG2-CD1 3.66Å; T88-I92 HydrophobicContact CG2-CG1 4.49Å; T88-I92 WeakPolarHBondContact O-CG1 3.09Å; T88-I92 PolarHBondContact O-N 3.45Å; T88-I92 VanDerWaalsContact O-N 3.15Å
89S93.8Very high93Very high26 Ų2624.8 Ų24.818%0.18213%0.127CC..Hα-helixtrans-65.2-39.4-176.3-51.50000112.6L33 G86 V91 I92 L93L33-S89 WeakPolarHBondContact CD1-OG 3.36Å; G86-S89 PolarHBondContact O-N 3.36Å; S89-V91 VanDerWaalsContact C-N 3.32Å; S89-V91 PolarHBondContact O-N 3.32Å; S89-I92 PolarHBondContact O-N 3.18Å; S89-L93 VanDerWaalsContact O-CB 3.32Å; S89-L93 WeakPolarHBondContact O-CB 3.39Å; S89-L93 PolarHBondContact O-N 3.25Å
90V95.5Very high93Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-64.4-37.8-179.172.70000111.7L75 Q79 G86 T87 T88 A94 S510 F513 A514L75-V90 HydrophobicContact CD1-CG2 3.81Å; L75-V90 HydrophobicContact CD2-CG1 4.49Å; L75-V90 HydrophobicContact CD2-CG2 4.03Å; L75-V90 HydrophobicContact CG-CG1 4.12Å; L75-V90 HydrophobicContact CG-CG2 3.93Å; Q79-V90 HydrophobicContact CB-CG1 3.94Å; Q79-V90 HydrophobicContact CG-CB 4.46Å; Q79-V90 HydrophobicContact CG-CG1 4.04Å; G86-V90 PolarHBondContact O-N 3.45Å; T87-V90 VanDerWaalsContact O-CG1 3.27Å; T87-V90 WeakPolarHBondContact O-CG1 3.3Å; T88-V90 PolarHBondContact O-N 3.15Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-A94 PolarHBondContact O-N 3.06Å; V90-S510 WeakPolarHBondContact CG2-O 3.31Å; V90-F513 HydrophobicContact CG2-CB 4.27Å; V90-A514 HydrophobicContact CG2-CB 3.91Å
91V95.7Very high93.2Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-71.1-44178.31760000111.3A26 V29 L59 L72 A76 T87 T88 S89 L93 A94 A95A26-V91 HydrophobicContact CB-CG1 4.33Å; V29-V91 HydrophobicContact CG2-CB 4.26Å; V29-V91 HydrophobicContact CG2-CG1 4Å; L59-V91 HydrophobicContact CD1-CB 4.49Å; L59-V91 HydrophobicContact CD1-CG1 4.29Å; L59-V91 HydrophobicContact CD1-CG2 3.7Å; L72-V91 HydrophobicContact CD1-CG1 4.47Å; A76-V91 HydrophobicContact CB-CG2 3.91Å; T87-V91 WeakPolarHBondContact O-CG2 3.38Å; T88-V91 PolarHBondContact O-N 2.83Å; S89-V91 VanDerWaalsContact C-N 3.32Å; S89-V91 PolarHBondContact O-N 3.32Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 3.3Å; V91-A94 PolarHBondContact O-N 2.86Å; V91-A95 WeakPolarHBondContact O-CB 3.3Å; V91-A95 PolarHBondContact O-N 2.94Å
92I96Very high93.3Very high3 Ų317.9 Ų17.92%0.01510%0.095CC..Hα-helixtrans-62.6-41.3177.4-65.7168.5000110.7V29 K30 L33 T88 S89 A96 I445 Q448V29-I92 HydrophobicContact CG2-CG1 4.12Å; K30-I92 HydrophobicContact CG-CD1 4Å; K30-I92 HydrophobicContact CG-CG1 3.97Å; L33-I92 HydrophobicContact CB-CD1 4.03Å; L33-I92 HydrophobicContact CD1-CD1 4.45Å; L33-I92 HydrophobicContact CD2-CD1 3.83Å; L33-I92 HydrophobicContact CG-CD1 4.31Å; T88-I92 HydrophobicContact CG2-CD1 3.66Å; T88-I92 HydrophobicContact CG2-CG1 4.49Å; T88-I92 WeakPolarHBondContact O-CG1 3.09Å; T88-I92 PolarHBondContact O-N 3.45Å; T88-I92 VanDerWaalsContact O-N 3.15Å; S89-I92 PolarHBondContact O-N 3.18Å; I92-A96 WeakPolarHBondContact O-CB 3.47Å; I92-A96 PolarHBondContact O-N 3.35Å; I92-I445 HydrophobicContact CB-CD1 4.07Å; I92-I445 HydrophobicContact CG2-CD1 3.89Å; I92-Q448 HydrophobicContact CD1-CG 4.43Å
93L96.4Very high93.5Very high9 Ų917.2 Ų17.25%0.0479%0.092CC..Hα-helixtrans-66.6-45.4177.3-176.961.9000111.6S89 V91 A95 A96 L97 M442 L511 A514S89-L93 VanDerWaalsContact O-CB 3.32Å; S89-L93 WeakPolarHBondContact O-CB 3.39Å; S89-L93 PolarHBondContact O-N 3.25Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 3.3Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.5Å; L93-A96 PolarHBondContact O-N 2.72Å; L93-L97 HydrophobicContact CG-CD1 4.31Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 3.25Å; L93-M442 HydrophobicContact CD1-SD 3.88Å; L93-M442 HydrophobicContact CD2-SD 4.35Å; L93-L511 HydrophobicContact CD2-CD2 3.66Å; L93-A514 HydrophobicContact CB-CB 4.16Å; L93-A514 HydrophobicContact CD2-CB 3.9Å; L93-A514 HydrophobicContact CG-CB 3.99Å
94A96.4Very high93.8Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-59.3-44.1177.300000111.9L72 L75 V90 V91 L97 L98 A514L72-A94 HydrophobicContact CD2-CB 3.8Å; L75-A94 HydrophobicContact CD2-CB 3.79Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-A94 PolarHBondContact O-N 3.06Å; V91-A94 PolarHBondContact O-N 2.86Å; A94-L97 PolarHBondContact O-N 3.15Å; A94-L98 WeakPolarHBondContact O-CG 3.32Å; A94-L98 PolarHBondContact O-N 2.81Å; A94-A514 HydrophobicContact CB-CB 4.12Å
95A96.1Very high94.1Very high4 Ų418.2 Ų18.23%0.03310%0.097CC..Hα-helixtrans-66.7-37.6176.600000112.9A26 V91 L93 L98 K99A26-A95 HydrophobicContact CB-CB 3.37Å; V91-A95 WeakPolarHBondContact O-CB 3.3Å; V91-A95 PolarHBondContact O-N 2.94Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.5Å; A95-L98 PolarHBondContact O-N 2.87Å; A95-K99 WeakPolarHBondContact O-CB 3.48Å; A95-K99 PolarHBondContact O-N 3.41Å
96A96.1Very high94.2Very high17 Ų1719.7 Ų19.714%0.1411%0.11CC..Hα-helixtrans-64.7-41.6175.200000112I92 L93 K99 N100 A441I92-A96 WeakPolarHBondContact O-CB 3.47Å; I92-A96 PolarHBondContact O-N 3.35Å; L93-A96 PolarHBondContact O-N 2.72Å; A96-K99 PolarHBondContact O-N 3.47Å; A96-N100 PolarHBondContact O-N 3.09Å; A96-N100 PolarHBondContact O-OD1 3.27Å; A96-A441 HydrophobicContact CB-CB 4.18Å
97L96.6Very high94.3Very high0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-60.9-44.2173.9-71.8171.2000111.5L93 A94 N100 A101 Y118 F438 A441 A514 A518L93-L97 HydrophobicContact CG-CD1 4.31Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 3.25Å; A94-L97 PolarHBondContact O-N 3.15Å; L97-N100 PolarHBondContact O-N 3.42Å; L97-A101 VanDerWaalsContact O-CB 3.25Å; L97-A101 WeakPolarHBondContact O-CB 3.46Å; L97-A101 PolarHBondContact O-N 2.96Å; L97-Y118 HydrophobicContact CB-CE2 4.07Å; L97-Y118 HydrophobicContact CD2-CD2 4.42Å; L97-Y118 HydrophobicContact CD2-CE2 4.04Å; L97-Y118 PolarHBondContact O-OH 3.27Å; L97-Y118 VanDerWaalsContact O-OH 3.08Å; L97-F438 HydrophobicContact CD1-CE2 4.09Å; L97-F438 HydrophobicContact CD2-CB 4.44Å; L97-F438 HydrophobicContact CD2-CD2 3.34Å; L97-F438 HydrophobicContact CD2-CE2 3.63Å; L97-F438 HydrophobicContact CD2-CG 3.93Å; L97-F438 HydrophobicContact CD2-CZ 4.43Å; L97-A441 HydrophobicContact CD2-CB 3.66Å; L97-A441 HydrophobicContact CG-CB 4.15Å; L97-A514 HydrophobicContact CD1-CB 4.46Å; L97-A518 HydrophobicContact CB-CB 3.9Å; L97-A518 HydrophobicContact CD1-CB 4.33Å
98L95.6Very high94.1Very high0 Ų035.9 Ų35.90%017%0.174CC..Hα-helixtrans-63.1-43.9177.4-73.4173.8000112.7V19 A22 A94 A95 A101 D102 A518 I521 L522V19-L98 HydrophobicContact CG2-CB 4.42Å; A22-L98 HydrophobicContact CB-CD1 3.52Å; A94-L98 WeakPolarHBondContact O-CG 3.32Å; A94-L98 PolarHBondContact O-N 2.81Å; A95-L98 PolarHBondContact O-N 2.87Å; L98-A101 PolarHBondContact O-N 2.99Å; L98-D102 PolarHBondContact O-N 3.14Å; L98-A518 HydrophobicContact CD2-CB 4.08Å; L98-A518 WeakPolarHBondContact CD2-O 3.47Å; L98-A518 HydrophobicContact CG-CB 4.11Å; L98-I521 HydrophobicContact CD1-CB 4.24Å; L98-I521 HydrophobicContact CD1-CD1 3.76Å; L98-I521 HydrophobicContact CD1-CG2 3.98Å; L98-I521 HydrophobicContact CD2-CB 3.94Å; L98-I521 HydrophobicContact CD2-CG2 3.83Å; L98-L522 HydrophobicContact CD2-CD1 4.38Å; L98-L522 HydrophobicContact CD2-CD2 4.11Å; L98-L522 HydrophobicContact CD2-CG 3.74Å
99K95.5Very high94Very high112 Ų11236.2 Ų36.249%0.48718%0.176SC..Hα-helixtrans-60.6-48.9177.4-175.4180175.6-177.50111.6A95 A96 A101 D102 E103A95-K99 WeakPolarHBondContact O-CB 3.48Å; A95-K99 PolarHBondContact O-N 3.41Å; A96-K99 PolarHBondContact O-N 3.47Å; K99-A101 VanDerWaalsContact C-N 3.32Å; K99-A101 PolarHBondContact O-N 3.17Å; K99-D102 PolarHBondContact O-N 3.24Å; K99-E103 PolarHBondContact O-N 2.87Å
100N94.8Very high93.9Very high22 Ų2240.6 Ų40.612%0.11819%0.193CC..Hα-helixtrans-68.6-33-179.1-67.38.4000111.8A96 L97 E103 L104 E437 A441A96-N100 PolarHBondContact O-N 3.09Å; A96-N100 PolarHBondContact O-OD1 3.27Å; L97-N100 PolarHBondContact O-N 3.42Å; N100-E103 PolarHBondContact O-N 3.08Å; N100-L104 PolarHBondContact O-N 2.74Å; N100-E437 HydrophobicContact CB-CB 4.11Å; N100-E437 PolarHBondContact ND2-O 2.91Å; N100-A441 PolarHBondContact ND2-N 3.32Å
101A94.6Very high93.7Very high0 Ų041.8 Ų41.80%020%0.201CC..Hα-helixtrans-65.1-39.8173.500000112.4L97 L98 K99 E103 L104 I105 V114 Y118 L522L97-A101 VanDerWaalsContact O-CB 3.25Å; L97-A101 WeakPolarHBondContact O-CB 3.46Å; L97-A101 PolarHBondContact O-N 2.96Å; L98-A101 PolarHBondContact O-N 2.99Å; K99-A101 VanDerWaalsContact C-N 3.32Å; K99-A101 PolarHBondContact O-N 3.17Å; A101-E103 VanDerWaalsContact C-N 3.31Å; A101-E103 PolarHBondContact O-N 2.88Å; A101-L104 WeakPolarHBondContact O-CB 3.37Å; A101-L104 PolarHBondContact O-N 3.46Å; A101-L104 VanDerWaalsContact O-N 3.15Å; A101-I105 VanDerWaalsContact O-CG1 3.32Å; A101-I105 WeakPolarHBondContact O-CG1 3.35Å; A101-I105 PolarHBondContact O-N 3.15Å; A101-V114 HydrophobicContact CB-CG1 3.88Å; A101-Y118 HydrophobicContact CB-CE2 4Å; A101-Y118 PolarHBondContact N-OH 2.9Å; A101-L522 HydrophobicContact CB-CD1 3.62Å; A101-L522 HydrophobicContact CB-CD2 3.61Å; A101-L522 HydrophobicContact CB-CG 4.24Å
102D93.1Very high93.6Very high32 Ų3245.2 Ų45.217%0.17122%0.222CC..Hα-helixtrans-61.5-39.7175.9-166.552.3000111.7V19 L98 K99 L104 I105 S106V19-D102 HydrophobicContact CG1-CB 4.18Å; V19-D102 HydrophobicContact CG2-CB 3.91Å; L98-D102 PolarHBondContact O-N 3.14Å; K99-D102 PolarHBondContact O-N 3.24Å; D102-L104 VanDerWaalsContact C-N 3.31Å; D102-L104 PolarHBondContact O-N 2.72Å; D102-I105 PolarHBondContact O-N 2.97Å; D102-S106 WeakPolarHBondContact O-CB 3.13Å; D102-S106 PolarHBondContact O-N 3.39Å; D102-S106 PolarHBondContact O-OG 3.41Å
103E92.3Very high93.5Very high74 Ų7446.7 Ų46.735%0.34623%0.231SC..Hα-helixtrans-60.7-37.9173.8-68.9-173.7-164.700112.2K99 N100 A101 S106 R107K99-E103 PolarHBondContact O-N 2.87Å; N100-E103 PolarHBondContact O-N 3.08Å; A101-E103 VanDerWaalsContact C-N 3.31Å; A101-E103 PolarHBondContact O-N 2.88Å; E103-S106 PolarHBondContact O-OG 2.94Å; E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3Å
104L92.8Very high93.4Very high4 Ų446.3 Ų46.32%0.02123%0.229CC..Hα-helixtrans-69.9-40.8174.4-68.4177000112.7N100 A101 D102 S106 R107 V109 V114 L433 A434 E437N100-L104 PolarHBondContact O-N 2.74Å; A101-L104 WeakPolarHBondContact O-CB 3.37Å; A101-L104 PolarHBondContact O-N 3.46Å; A101-L104 VanDerWaalsContact O-N 3.15Å; D102-L104 VanDerWaalsContact C-N 3.31Å; D102-L104 PolarHBondContact O-N 2.72Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 3.04Å; L104-R107 CarbonylContact O-C 3.59Å; L104-R107 WeakPolarHBondContact O-CA 3.29Å; L104-R107 PolarHBondContact O-N 2.76Å; L104-R107 VanDerWaalsContact O-N 3.09Å; L104-V109 HydrophobicContact CB-CB 4.29Å; L104-V109 HydrophobicContact CB-CG2 4.44Å; L104-V109 WeakPolarHBondContact O-CB 3.38Å; L104-V109 WeakPolarHBondContact O-CG2 3.5Å; L104-V109 PolarHBondContact O-N 2.97Å; L104-V109 VanDerWaalsContact O-N 3.17Å; L104-V114 HydrophobicContact CB-CG2 4.08Å; L104-V114 HydrophobicContact CD1-CG1 4.21Å; L104-V114 HydrophobicContact CD1-CG2 4.12Å; L104-L433 HydrophobicContact CD2-CB 4.15Å; L104-A434 HydrophobicContact CD1-CB 4.24Å; L104-E437 HydrophobicContact CD1-CB 3.9Å; L104-E437 HydrophobicContact CD1-CG 3.72Å; L104-E437 HydrophobicContact CD2-CG 3.73Å; L104-E437 HydrophobicContact CG-CB 4.39Å; L104-E437 HydrophobicContact CG-CG 3.72Å
105I91.6Very high93.3Very high19 Ų1946.6 Ų46.610%0.09723%0.23CC..Hα-helixtrans-65.3-39.6179.6-67.7165.7000110.3A101 D102 R107 F108 P111 L522A101-I105 VanDerWaalsContact O-CG1 3.32Å; A101-I105 WeakPolarHBondContact O-CG1 3.35Å; A101-I105 PolarHBondContact O-N 3.15Å; D102-I105 PolarHBondContact O-N 2.97Å; I105-R107 PolarHBondContact O-N 2.86Å; I105-F108 PolarHBondContact O-N 3.17Å; I105-P111 HydrophobicContact CD1-CB 4.28Å; I105-P111 HydrophobicContact CD1-CG 3.98Å; I105-P111 HydrophobicContact CG1-CG 4.16Å; I105-L522 HydrophobicContact CD1-CD2 3.87Å
106S90Very high93.2Very high66 Ų6649.6 Ų49.646%0.46225%0.246SC..Hα-helixtrans-63.2-23.6174.1730000113.3D102 E103 L104 F108D102-S106 WeakPolarHBondContact O-CB 3.13Å; D102-S106 PolarHBondContact O-N 3.39Å; D102-S106 PolarHBondContact O-OG 3.41Å; E103-S106 PolarHBondContact O-OG 2.94Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 3.04Å; S106-F108 VanDerWaalsContact C-N 3.25Å; S106-F108 PolarHBondContact O-N 3.28Å
107R91.1Very high93.1Very high156 Ų15648.8 Ų48.859%0.58924%0.239SC*.THydrogen-bonded Turntrans-89.522.3171.7-63.7177.3-170.7169.89.6113.1E103 L104 I105 V109E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3Å; L104-R107 CarbonylContact O-C 3.59Å; L104-R107 WeakPolarHBondContact O-CA 3.29Å; L104-R107 PolarHBondContact O-N 2.76Å; L104-R107 VanDerWaalsContact O-N 3.09Å; I105-R107 PolarHBondContact O-N 2.86Å; R107-V109 VanDerWaalsContact C-N 3.29Å; R107-V109 PolarHBondContact O-N 3.45Å
108F89.1Confident93.1Very high198 Ų19848.8 Ų48.887%0.86824%0.239SC*.THydrogen-bonded Turntrans63.924.3177.3-53.1-79.5000115.2I105 S106I105-F108 PolarHBondContact O-N 3.17Å; S106-F108 VanDerWaalsContact C-N 3.25Å; S106-F108 PolarHBondContact O-N 3.28Å
109V91.4Very high93.1Very high19 Ų1952.7 Ų52.712%0.11525%0.254CS..  trans-82.5125.6168.5-175.30000109.2L104 R107 T113 V114 L433L104-V109 HydrophobicContact CB-CB 4.29Å; L104-V109 HydrophobicContact CB-CG2 4.44Å; L104-V109 WeakPolarHBondContact O-CB 3.38Å; L104-V109 WeakPolarHBondContact O-CG2 3.5Å; L104-V109 PolarHBondContact O-N 2.97Å; L104-V109 VanDerWaalsContact O-N 3.17Å; R107-V109 VanDerWaalsContact C-N 3.29Å; R107-V109 PolarHBondContact O-N 3.45Å; V109-T113 HydrophobicContact CG1-CG2 4.27Å; V109-V114 HydrophobicContact CB-CG2 4.43Å; V109-V114 HydrophobicContact CG1-CG2 3.84Å; V109-L433 HydrophobicContact CG2-CD1 4.37Å
110H91.2Very high93.1Very high118 Ų11848.6 Ų48.655%0.54624%0.237SC..  trans-64.1135.8-179-167.1-87000111.3T112 T113 V114H110-T112 PolarHBondContact CE1-OG1 2.94Å; H110-T112 WeakPolarHBondContact ND1-CB 3.45Å; H110-T112 PolarHBondContact ND1-N 3Å; H110-T112 PolarHBondContact ND1-OG1 2.74Å; H110-T112 PolarHBondContact O-N 2.86Å; H110-T112 VanDerWaalsContact O-N 3.11Å; H110-T113 WeakPolarHBondContact O-CB 3.32Å; H110-T113 PolarHBondContact O-N 3.42Å; H110-V114 PolarHBondContact O-N 2.87Å
111P91.9Very high93.2Very high24 Ų2447.5 Ų47.516%0.15623%0.232CC..Hα-helixtrans-52-38.3-178.3-29.234.5000114.2I105 T113 V114 I115I105-P111 HydrophobicContact CD1-CB 4.28Å; I105-P111 HydrophobicContact CD1-CG 3.98Å; I105-P111 HydrophobicContact CG1-CG 4.16Å; P111-T113 VanDerWaalsContact C-N 3.29Å; P111-T113 PolarHBondContact O-N 2.9Å; P111-V114 WeakPolarHBondContact O-CB 3.4Å; P111-V114 PolarHBondContact O-N 2.82Å; P111-V114 VanDerWaalsContact O-N 3.1Å; P111-I115 VanDerWaalsContact O-CG1 3.29Å; P111-I115 WeakPolarHBondContact O-CG1 3.35Å; P111-I115 PolarHBondContact O-N 2.86Å
112T92.6Very high93.3Very high73 Ų7348.1 Ų48.145%0.44824%0.235SC..Hα-helixtrans-57.9-38176.3-46.40000113.3H110 I115 N116H110-T112 PolarHBondContact CE1-OG1 2.94Å; H110-T112 WeakPolarHBondContact ND1-CB 3.45Å; H110-T112 PolarHBondContact ND1-N 3Å; H110-T112 PolarHBondContact ND1-OG1 2.74Å; H110-T112 PolarHBondContact O-N 2.86Å; H110-T112 VanDerWaalsContact O-N 3.11Å; T112-I115 PolarHBondContact O-N 3.27Å; T112-N116 VanDerWaalsContact O-CG 3.29Å; T112-N116 PolarHBondContact O-N 3.3Å
113T93.6Very high93.4Very high34 Ų3454.1 Ų54.121%0.20926%0.256CS..Hα-helixtrans-68.3-39.3176.9-550000110.8V109 H110 P111 N116 G117 R430 E431V109-T113 HydrophobicContact CG1-CG2 4.27Å; H110-T113 WeakPolarHBondContact O-CB 3.32Å; H110-T113 PolarHBondContact O-N 3.42Å; P111-T113 VanDerWaalsContact C-N 3.29Å; P111-T113 PolarHBondContact O-N 2.9Å; T113-N116 PolarHBondContact O-N 2.92Å; T113-G117 PolarHBondContact O-N 2.64Å; T113-R430 HydrophobicContact CG2-CB 3.94Å; T113-E431 HydrophobicContact CG2-CG 4.14Å
114V94.3Very high93.6Very high0 Ų052.4 Ų52.40%025%0.248CC..Hα-helixtrans-63-46.4174.7-175.50000110.7A101 L104 V109 H110 P111 N116 G117 Y118 A434A101-V114 HydrophobicContact CB-CG1 3.88Å; L104-V114 HydrophobicContact CB-CG2 4.08Å; L104-V114 HydrophobicContact CD1-CG1 4.21Å; L104-V114 HydrophobicContact CD1-CG2 4.12Å; V109-V114 HydrophobicContact CB-CG2 4.43Å; V109-V114 HydrophobicContact CG1-CG2 3.84Å; H110-V114 PolarHBondContact O-N 2.87Å; P111-V114 WeakPolarHBondContact O-CB 3.4Å; P111-V114 PolarHBondContact O-N 2.82Å; P111-V114 VanDerWaalsContact O-N 3.1Å; V114-N116 PolarHBondContact O-N 2.98Å; V114-G117 PolarHBondContact O-N 2.91Å; V114-Y118 HydrophobicContact CG1-CD1 4.18Å; V114-Y118 HydrophobicContact CG1-CD2 4.42Å; V114-Y118 HydrophobicContact CG1-CE1 3.86Å; V114-Y118 HydrophobicContact CG1-CE2 4.11Å; V114-Y118 HydrophobicContact CG1-CG 4.46Å; V114-Y118 WeakPolarHBondContact O-CD1 3.46Å; V114-Y118 PolarHBondContact O-N 2.76Å; V114-A434 HydrophobicContact CG1-CB 4.41Å
115I94.8Very high93.8Very high6 Ų652.2 Ų52.23%0.03125%0.247CC..Hα-helixtrans-59.1-46.3178.1-69.7163.6000111.4P111 T112 Y118 R119 I519 R523P111-I115 VanDerWaalsContact O-CG1 3.29Å; P111-I115 WeakPolarHBondContact O-CG1 3.35Å; P111-I115 PolarHBondContact O-N 2.86Å; T112-I115 PolarHBondContact O-N 3.27Å; I115-Y118 PolarHBondContact O-N 2.72Å; I115-R119 WeakPolarHBondContact O-CG 3.04Å; I115-R119 PolarHBondContact O-N 2.76Å; I115-I519 HydrophobicContact CD1-CG2 4.41Å; I115-I519 HydrophobicContact CG1-CG1 4.38Å; I115-I519 HydrophobicContact CG1-CG2 4.17Å; I115-I519 HydrophobicContact CG2-CB 4.48Å; I115-I519 HydrophobicContact CG2-CD1 4.22Å; I115-I519 HydrophobicContact CG2-CG1 4.07Å; I115-I519 HydrophobicContact CG2-CG2 3.65Å; I115-R523 HydrophobicContact CD1-CG 3.61Å
116N94.2Very high94Very high67 Ų6751.8 Ų51.836%0.35825%0.245SC..Hα-helixtrans-63.2-43.9178.5-72.3-10.6000111.6T112 T113 V114 Y118 R119 L120 E431T112-N116 VanDerWaalsContact O-CG 3.29Å; T112-N116 PolarHBondContact O-N 3.3Å; T113-N116 PolarHBondContact O-N 2.92Å; V114-N116 PolarHBondContact O-N 2.98Å; N116-Y118 PolarHBondContact O-N 2.89Å; N116-R119 PolarHBondContact O-N 2.82Å; N116-L120 PolarHBondContact O-N 2.85Å; N116-E431 WeakPolarHBondContact CB-OE1 3.45Å
117G94.9Very high94.2Very high0 Ų053.2 Ų53.20%024%0.243CC..Hα-helixtrans-60.7-42.817500000112.8T113 V114 L120 A121T113-G117 PolarHBondContact O-N 2.64Å; V114-G117 PolarHBondContact O-N 2.91Å; G117-L120 PolarHBondContact O-N 3.32Å; G117-A121 WeakPolarHBondContact O-CB 3.41Å; G117-A121 PolarHBondContact O-N 3.14Å
118Y96.5Very high94.4Very high0 Ų046.4 Ų46.40%022%0.217CC..Hα-helixtrans-65.1-39.8177.2-77.411.5000112.3L97 A101 V114 I115 N116 L120 A121 C122 A434 F438 L522L97-Y118 HydrophobicContact CB-CE2 4.07Å; L97-Y118 HydrophobicContact CD2-CD2 4.42Å; L97-Y118 HydrophobicContact CD2-CE2 4.04Å; L97-Y118 PolarHBondContact O-OH 3.27Å; L97-Y118 VanDerWaalsContact O-OH 3.08Å; A101-Y118 HydrophobicContact CB-CE2 4Å; A101-Y118 PolarHBondContact N-OH 2.9Å; V114-Y118 HydrophobicContact CG1-CD1 4.18Å; V114-Y118 HydrophobicContact CG1-CD2 4.42Å; V114-Y118 HydrophobicContact CG1-CE1 3.86Å; V114-Y118 HydrophobicContact CG1-CE2 4.11Å; V114-Y118 HydrophobicContact CG1-CG 4.46Å; V114-Y118 WeakPolarHBondContact O-CD1 3.46Å; V114-Y118 PolarHBondContact O-N 2.76Å; I115-Y118 PolarHBondContact O-N 2.72Å; N116-Y118 PolarHBondContact O-N 2.89Å; Y118-L120 VanDerWaalsContact C-N 3.32Å; Y118-L120 PolarHBondContact O-N 2.76Å; Y118-A121 PolarHBondContact O-N 3.49Å; Y118-C122 WeakPolarHBondContact O-CB 3.01Å; Y118-C122 PolarHBondContact O-N 2.88Å; Y118-A434 HydrophobicContact CD1-CB 4.31Å; Y118-A434 HydrophobicContact CE1-CB 4.4Å; Y118-A434 VanDerWaalsContact CE1-O 3.26Å; Y118-A434 WeakPolarHBondContact CE1-O 3.35Å; Y118-F438 HydrophobicContact CD1-CB 3.96Å; Y118-F438 AromaticContact CD1-CD2 3.86Å; Y118-F438 HydrophobicContact CD1-CD2 3.86Å; Y118-F438 HydrophobicContact CD1-CG 4.41Å; Y118-F438 HydrophobicContact CD2-CD2 4.39Å; Y118-F438 HydrophobicContact CE1-CB 3.96Å; Y118-F438 HydrophobicContact CE1-CD2 4.34Å; Y118-F438 AromaticContact CG-CD2 3.88Å; Y118-F438 HydrophobicContact CG-CD2 3.88Å; Y118-L522 HydrophobicContact CE2-CD1 4.3Å
119R95.8Very high94.7Very high82 Ų8237 Ų3731%0.30918%0.176SC..Hα-helixtrans-64.9-35.5174.2-74.4179.1170.3172.5-5.1112.9I115 N116 R123 I519I115-R119 WeakPolarHBondContact O-CG 3.04Å; I115-R119 PolarHBondContact O-N 2.76Å; N116-R119 PolarHBondContact O-N 2.82Å; R119-R123 WeakPolarHBondContact O-CG 3.5Å; R119-R123 PolarHBondContact O-N 2.84Å; R119-R123 PolarHBondContact O-NE 2.9Å; R119-R123 VanDerWaalsContact O-NE 3.08Å; R119-I519 HydrophobicContact CG-CD1 3.54Å
120L95.1Very high94.7Very high26 Ų2640.3 Ų40.314%0.13619%0.19CC..Hα-helixtrans-71.2-47.2175.5-174.657.6000110.5N116 G117 Y118 C122 R123 E124 Y423 L427 I435N116-L120 PolarHBondContact O-N 2.85Å; G117-L120 PolarHBondContact O-N 3.32Å; Y118-L120 VanDerWaalsContact C-N 3.32Å; Y118-L120 PolarHBondContact O-N 2.76Å; L120-C122 PolarHBondContact O-N 2.78Å; L120-R123 PolarHBondContact O-N 2.99Å; L120-E124 PolarHBondContact O-N 3.26Å; L120-Y423 HydrophobicContact CD2-CE1 4.4Å; L120-Y423 HydrophobicContact CG-CE1 4.3Å; L120-L427 HydrophobicContact CD2-CD1 4.06Å; L120-I435 HydrophobicContact CD2-CD1 4.08Å; L120-I435 HydrophobicContact CG-CD1 4.45Å
121A95.9Very high94.8Very high0 Ų040.4 Ų40.40%019%0.191CC..Hα-helixtrans-57-45.4176.400000112.3G117 Y118 R123 E124 A125 L420 I435 F438G117-A121 WeakPolarHBondContact O-CB 3.41Å; G117-A121 PolarHBondContact O-N 3.14Å; Y118-A121 PolarHBondContact O-N 3.49Å; A121-R123 PolarHBondContact O-N 3.15Å; A121-E124 PolarHBondContact O-N 3.04Å; A121-A125 WeakPolarHBondContact O-CB 3.43Å; A121-A125 PolarHBondContact O-N 3.49Å; A121-L420 HydrophobicContact CB-CD1 4.23Å; A121-L420 HydrophobicContact CB-CD2 4.39Å; A121-I435 HydrophobicContact CB-CG1 4.19Å; A121-I435 HydrophobicContact CB-CG2 4.24Å; A121-F438 HydrophobicContact CB-CB 3.9Å; A121-F438 HydrophobicContact CB-CD1 3.67Å; A121-F438 HydrophobicContact CB-CD2 3.97Å; A121-F438 HydrophobicContact CB-CE1 4.17Å; A121-F438 HydrophobicContact CB-CE2 4.44Å; A121-F438 HydrophobicContact CB-CG 3.56Å
122C96.5Very high94.7Very high12 Ų1243.3 Ų43.38%0.08120%0.202CC..Hα-helixtrans-62.3-41.6178177.20000112.2Y118 L120 A125 C126 F438 T515Y118-C122 WeakPolarHBondContact O-CB 3.01Å; Y118-C122 PolarHBondContact O-N 2.88Å; L120-C122 PolarHBondContact O-N 2.78Å; C122-A125 PolarHBondContact O-N 3.47Å; C122-C126 WeakPolarHBondContact O-CB 3.37Å; C122-C126 PolarHBondContact O-N 3.06Å; C122-C126 PolarHBondContact O-SG 2.93Å; C122-C126 VanDerWaalsContact O-SG 3.33Å; C122-F438 HydrophobicContact CB-CE2 4.48Å; C122-F438 HydrophobicContact CB-CZ 4.27Å; C122-T515 HydrophobicContact CB-CG2 3.97Å
123R96.3Very high94.5Very high159 Ų15939.8 Ų39.860%0.618%0.181SC*.Hα-helixtrans-62-49.7177.1-79-178.5-76.3159.4-4.9111.8R119 L120 A121 C126 K127R119-R123 WeakPolarHBondContact O-CG 3.5Å; R119-R123 PolarHBondContact O-N 2.84Å; R119-R123 PolarHBondContact O-NE 2.9Å; R119-R123 VanDerWaalsContact O-NE 3.08Å; L120-R123 PolarHBondContact O-N 2.99Å; A121-R123 PolarHBondContact O-N 3.15Å; R123-C126 PolarHBondContact O-N 3.18Å; R123-K127 WeakPolarHBondContact O-CB 3.45Å; R123-K127 PolarHBondContact O-N 3.13Å; R123-K127 VanDerWaalsContact O-N 3.08Å
124E96Very high94.3Very high38 Ų3839.5 Ų39.518%0.17818%0.182CC..Hα-helixtrans-66.9-38.5178.9-67.9-55.4139.500112L120 A121 K127 Y128 Y419 L420 Y423L120-E124 PolarHBondContact O-N 3.26Å; A121-E124 PolarHBondContact O-N 3.04Å; E124-K127 PolarHBondContact O-N 2.95Å; E124-Y128 WeakPolarHBondContact O-CB 3.45Å; E124-Y128 PolarHBondContact O-N 2.82Å; E124-Y419 HydrophobicContact CB-CE1 4.22Å; E124-L420 HydrophobicContact CB-CD2 4.19Å; E124-Y423 HydrophobicContact CG-CD1 4.33Å; E124-Y423 HydrophobicContact CG-CE1 3.77Å; E124-Y423 HydrophobicContact CG-CE2 4.32Å
125A96.2Very high94.1Very high0 Ų042.4 Ų42.40%019%0.193CC..Hα-helixtrans-60.1-49.6174.100000112.1A121 C122 K127 Y128 I129 V416 L420A121-A125 WeakPolarHBondContact O-CB 3.43Å; A121-A125 PolarHBondContact O-N 3.49Å; C122-A125 PolarHBondContact O-N 3.47Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.08Å; A125-Y128 PolarHBondContact O-N 3.25Å; A125-I129 VanDerWaalsContact O-CG1 3.25Å; A125-I129 WeakPolarHBondContact O-CG1 3.38Å; A125-I129 PolarHBondContact O-N 2.92Å; A125-V416 HydrophobicContact CB-CG1 3.56Å; A125-L420 HydrophobicContact CB-CD1 4.27Å
126C95.8Very high93.8Very high9 Ų945.1 Ų45.16%0.06121%0.208CC..Hα-helixtrans-60.1-41.7177.8-73.30000111.8C122 R123 Q130C122-C126 WeakPolarHBondContact O-CB 3.37Å; C122-C126 PolarHBondContact O-N 3.06Å; C122-C126 PolarHBondContact O-SG 2.93Å; C122-C126 VanDerWaalsContact O-SG 3.33Å; R123-C126 PolarHBondContact O-N 3.18Å; C126-Q130 VanDerWaalsContact O-CG 3.31Å; C126-Q130 WeakPolarHBondContact O-CG 3.28Å; C126-Q130 PolarHBondContact O-N 2.66Å; C126-Q130 VanDerWaalsContact O-N 3.14Å
127K95.9Very high93.3Very high96 Ų9642.4 Ų42.442%0.41719%0.194SC..Hα-helixtrans-62.7-48.1177.1-175.5-177.9174.2-170.30111.3R123 E124 A125 I129 Q130 E131R123-K127 WeakPolarHBondContact O-CB 3.45Å; R123-K127 PolarHBondContact O-N 3.13Å; R123-K127 VanDerWaalsContact O-N 3.08Å; E124-K127 PolarHBondContact O-N 2.95Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.08Å; K127-I129 PolarHBondContact O-N 3Å; K127-Q130 PolarHBondContact O-N 2.91Å; K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.47Å; K127-E131 WeakPolarHBondContact CG-OE1 3.42Å; K127-E131 WeakPolarHBondContact O-CG 3.4Å; K127-E131 PolarHBondContact O-N 2.86Å
128Y94.9Very high92.7Very high13 Ų1347.2 Ų47.25%0.05122%0.22CC..Hα-helixtrans-57.5-46.3178.3179.5-95.8000112.3E124 A125 Q130 E131 H132 M133 A415 V416 Y419 Q472E124-Y128 WeakPolarHBondContact O-CB 3.45Å; E124-Y128 PolarHBondContact O-N 2.82Å; A125-Y128 PolarHBondContact O-N 3.25Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-Q130 PolarHBondContact O-N 3.45Å; Y128-E131 PolarHBondContact O-N 2.99Å; Y128-H132 HydrophobicContact CD2-CB 4.31Å; Y128-H132 AromaticContact CD2-ND1 3.66Å; Y128-H132 HydrophobicContact CE1-CB 4.47Å; Y128-H132 HydrophobicContact CE2-CB 3.96Å; Y128-H132 AromaticContact CE2-CG 3.83Å; Y128-H132 AromaticContact CE2-ND1 3.95Å; Y128-H132 WeakPolarHBondContact O-CB 3.4Å; Y128-H132 PolarHBondContact O-N 2.64Å; Y128-H132 PolarHBondContact O-ND1 2.84Å; Y128-M133 HydrophobicContact CD1-CG 4.35Å; Y128-M133 HydrophobicContact CE1-CG 3.93Å; Y128-M133 HydrophobicContact CE1-SD 4.29Å; Y128-A415 HydrophobicContact CE1-CB 3.97Å; Y128-V416 HydrophobicContact CD1-CG2 4.07Å; Y128-Y419 HydrophobicContact CD1-CG 4.44Å; Y128-Y419 AromaticContact CD2-CD1 3.85Å; Y128-Y419 HydrophobicContact CD2-CD1 3.85Å; Y128-Y419 AromaticContact CD2-CD2 3.47Å; Y128-Y419 HydrophobicContact CD2-CD2 3.47Å; Y128-Y419 VanDerWaalsContact CD2-CD2 3.47Å; Y128-Y419 HydrophobicContact CD2-CE1 4.11Å; Y128-Y419 AromaticContact CD2-CE2 3.77Å; Y128-Y419 HydrophobicContact CD2-CE2 3.77Å; Y128-Y419 AromaticContact CD2-CG 3.51Å; Y128-Y419 HydrophobicContact CD2-CG 3.51Å; Y128-Y419 AromaticContact CE2-CD2 3.7Å; Y128-Y419 HydrophobicContact CE2-CD2 3.7Å; Y128-Y419 HydrophobicContact CE2-CE2 4.32Å; Y128-Y419 AromaticContact CE2-CG 3.87Å; Y128-Y419 HydrophobicContact CE2-CG 3.87Å; Y128-Y419 AromaticContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD2 4.25Å; Y128-Y419 HydrophobicContact CG-CE1 4.16Å; Y128-Y419 AromaticContact CG-CG 3.83Å; Y128-Y419 HydrophobicContact CG-CG 3.83Å; Y128-Q472 PolarHBondContact OH-NE2 2.79Å
129I94.2Very high91.8Very high0 Ų054.3 Ų54.30%025%0.25CS..Iπ-helixtrans-60.6-45.4178.7-63.6167.4000110.7A125 K127 E131 M133 A134 V406 V416 L504 L511A125-I129 VanDerWaalsContact O-CG1 3.25Å; A125-I129 WeakPolarHBondContact O-CG1 3.38Å; A125-I129 PolarHBondContact O-N 2.92Å; K127-I129 PolarHBondContact O-N 3Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-E131 PolarHBondContact O-N 3.27Å; I129-M133 HydrophobicContact CG2-CB 4.32Å; I129-M133 WeakPolarHBondContact O-CB 3.49Å; I129-M133 PolarHBondContact O-N 2.81Å; I129-M133 VanDerWaalsContact O-N 3.16Å; I129-A134 PolarHBondContact O-N 3.25Å; I129-A134 VanDerWaalsContact O-N 3.13Å; I129-V406 HydrophobicContact CG2-CG1 3.95Å; I129-V416 HydrophobicContact CD1-CG2 3.87Å; I129-V416 HydrophobicContact CG1-CG2 3.58Å; I129-L504 HydrophobicContact CG2-CD1 3.48Å; I129-L504 VanDerWaalsContact CG2-CD1 3.48Å; I129-L511 HydrophobicContact CD1-CD1 3.34Å
130Q93.1Very high90.9Very high89 Ų8953.2 Ų53.242%0.41625%0.25SS..Iπ-helixtrans-64.7-36.9-178.8-74.7179-1800113.3C126 K127 Y128 I508C126-Q130 VanDerWaalsContact O-CG 3.31Å; C126-Q130 WeakPolarHBondContact O-CG 3.28Å; C126-Q130 PolarHBondContact O-N 2.66Å; C126-Q130 VanDerWaalsContact O-N 3.14Å; K127-Q130 PolarHBondContact O-N 2.91Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-Q130 PolarHBondContact O-N 3.45Å; Q130-I508 HydrophobicContact CG-CD1 3.61Å
131E91.9Very high90.3Very high121 Ų12153.7 Ų53.757%0.56526%0.262SS*.Iπ-helixtrans-86.5-40-175.6-70.5175.5179.700112.8K127 Y128 I129K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.47Å; K127-E131 WeakPolarHBondContact CG-OE1 3.42Å; K127-E131 WeakPolarHBondContact O-CG 3.4Å; K127-E131 PolarHBondContact O-N 2.86Å; Y128-E131 PolarHBondContact O-N 2.99Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-E131 PolarHBondContact O-N 3.27Å
132H89.7Confident89.8Confident84 Ų8458 Ų5839%0.38928%0.281SS..Iπ-helixtrans-111.5-27.3-166.1-61.482.1000114.4Y128 K481Y128-H132 HydrophobicContact CD2-CB 4.31Å; Y128-H132 AromaticContact CD2-ND1 3.66Å; Y128-H132 HydrophobicContact CE1-CB 4.47Å; Y128-H132 HydrophobicContact CE2-CB 3.96Å; Y128-H132 AromaticContact CE2-CG 3.83Å; Y128-H132 AromaticContact CE2-ND1 3.95Å; Y128-H132 WeakPolarHBondContact O-CB 3.4Å; Y128-H132 PolarHBondContact O-N 2.64Å; Y128-H132 PolarHBondContact O-ND1 2.84Å; H132-K481 PolarHBondContact O-NZ 3.45Å
133M89.4Confident89.4Confident0 Ų060.1 Ų60.10%030%0.299CS..Iπ-helixtrans-106.3-18-172.6-59.6-62.2-75.600113.4Y128 I129 V406 P407 A415 K481 W482Y128-M133 HydrophobicContact CD1-CG 4.35Å; Y128-M133 HydrophobicContact CE1-CG 3.93Å; Y128-M133 HydrophobicContact CE1-SD 4.29Å; I129-M133 HydrophobicContact CG2-CB 4.32Å; I129-M133 WeakPolarHBondContact O-CB 3.49Å; I129-M133 PolarHBondContact O-N 2.81Å; I129-M133 VanDerWaalsContact O-N 3.16Å; M133-V406 HydrophobicContact CB-CG1 4.45Å; M133-P407 HydrophobicContact CE-CG 3.51Å; M133-A415 HydrophobicContact CE-CB 3.7Å; M133-A415 HydrophobicContact SD-CB 3.91Å; M133-K481 WeakPolarHBondContact CE-O 3.37Å; M133-K481 HydrophobicContact SD-CB 4.26Å; M133-W482 WeakPolarHBondContact O-CH2 3.29Å
134A89.7Confident88.9Confident28 Ų2852.6 Ų52.623%0.23127%0.271CS..  trans-71.7135.9-179.500000112.2I129 I405 L504I129-A134 PolarHBondContact O-N 3.25Å; I129-A134 VanDerWaalsContact O-N 3.13Å; A134-I405 CarbonylContact C-O 3.59Å; A134-I405 WeakPolarHBondContact CA-O 3.49Å; A134-L504 HydrophobicContact CB-CD1 4.36Å; A134-L504 HydrophobicContact CB-CD2 4.09Å
135Y88.7Confident88.7Confident60 Ų6051.4 Ų51.424%0.23527%0.265CS..EExtended strand (participates in β ladder)trans-125.4142.9173.6-169.2-99.3000110.8K139 L140 R404 I405 W482Y135-K139 HydrophobicContact CE1-CB 3.84Å; Y135-K139 HydrophobicContact CE1-CD 4.35Å; Y135-K139 HydrophobicContact CE2-CD 4.14Å; Y135-K139 VanDerWaalsContact OH-CB 3.29Å; Y135-K139 WeakPolarHBondContact OH-CB 3.5Å; Y135-K139 WeakPolarHBondContact OH-CD 3.46Å; Y135-L140 HydrophobicContact CD1-CD1 3.86Å; Y135-L140 HydrophobicContact CD1-CG 4.46Å; Y135-L140 HydrophobicContact CE1-CD1 3.71Å; Y135-L140 HydrophobicContact CE1-CG 3.81Å; Y135-R404 WeakPolarHBondContact O-CA 3.45Å; Y135-I405 HydrophobicContact CD1-CD1 4.31Å; Y135-I405 HydrophobicContact CD1-CG1 4.4Å; Y135-I405 PolarHBondContact N-O 3.06Å; Y135-I405 WeakPolarHBondContact O-CG1 2.77Å; Y135-I405 PolarHBondContact O-N 2.99Å; Y135-W482 HydrophobicContact CD2-CH2 4.33Å; Y135-W482 HydrophobicContact CG-CH2 4.42Å
136D88.7Confident88.5Confident64 Ų6453 Ų5334%0.34227%0.274SS..EExtended strand (participates in β ladder)trans-80.7121.6179.7-169.2-23.8000110.6N138 K139 K403D136-N138 PolarHBondContact O-N 3.34Å; D136-N138 WeakPolarHBondContact OD1-CB 3.38Å; D136-N138 PolarHBondContact OD1-N 3.19Å; D136-N138 PolarHBondContact OD1-ND2 3.05Å; D136-K139 HydrophobicContact CB-CD 4.46Å; D136-K139 HydrophobicContact CB-CG 4.44Å; D136-K139 PolarHBondContact O-N 2.93Å; D136-K403 WeakPolarHBondContact CA-O 3.37Å
137V83.7Confident88.3Confident10 Ų1054.7 Ų54.76%0.06128%0.282CS..G310 helixtrans-63.1-31.9-177179.60000111.7K139 L140 G141 L145 V399 K403 I405V137-K139 PolarHBondContact O-N 3.3Å; V137-L140 PolarHBondContact O-N 3.03Å; V137-G141 PolarHBondContact O-N 3.3Å; V137-L145 HydrophobicContact CG1-CD2 3.82Å; V137-L145 HydrophobicContact CG1-CG 4.31Å; V137-V399 HydrophobicContact CB-CG1 4.22Å; V137-V399 HydrophobicContact CG1-CG1 3.86Å; V137-V399 HydrophobicContact CG2-CG1 3.41Å; V137-V399 VanDerWaalsContact CG2-CG1 3.41Å; V137-K403 WeakPolarHBondContact CG2-O 3.39Å; V137-K403 PolarHBondContact N-O 3.44Å; V137-I405 HydrophobicContact CG2-CB 4.19Å; V137-I405 HydrophobicContact CG2-CD1 4.31Å; V137-I405 HydrophobicContact CG2-CG1 3.95Å; V137-I405 HydrophobicContact CG2-CG2 3.47Å; V137-I405 VanDerWaalsContact CG2-CG2 3.47Å
138N82.3Confident88.1Confident101 Ų10150.2 Ų50.254%0.5426%0.263SS..G310 helixtrans-60.1-24.3-177.1-61.1-57.2000112.3D136 L140D136-N138 PolarHBondContact O-N 3.34Å; D136-N138 WeakPolarHBondContact OD1-CB 3.38Å; D136-N138 PolarHBondContact OD1-N 3.19Å; D136-N138 PolarHBondContact OD1-ND2 3.05Å; N138-L140 VanDerWaalsContact C-N 3.32Å
139K78.8Confident88Confident148 Ų14849.6 Ų49.664%0.64326%0.26SS*.G310 helixtrans-73.6-21.3177.3-62.4-178.3178.4-177.50113.6Y135 D136 V137Y135-K139 HydrophobicContact CE1-CB 3.84Å; Y135-K139 HydrophobicContact CE1-CD 4.35Å; Y135-K139 HydrophobicContact CE2-CD 4.14Å; Y135-K139 VanDerWaalsContact OH-CB 3.29Å; Y135-K139 WeakPolarHBondContact OH-CB 3.5Å; Y135-K139 WeakPolarHBondContact OH-CD 3.46Å; D136-K139 HydrophobicContact CB-CD 4.46Å; D136-K139 HydrophobicContact CB-CG 4.44Å; D136-K139 PolarHBondContact O-N 2.93Å; V137-K139 PolarHBondContact O-N 3.3Å
140L75.2Confident88Confident59 Ų5955 Ų5531%0.30928%0.281SS..THydrogen-bonded Turntrans-97.2-12.4178.7-71.1157.3000112.4Y135 V137 N138 G144 I405 F501Y135-L140 HydrophobicContact CD1-CD1 3.86Å; Y135-L140 HydrophobicContact CD1-CG 4.46Å; Y135-L140 HydrophobicContact CE1-CD1 3.71Å; Y135-L140 HydrophobicContact CE1-CG 3.81Å; V137-L140 PolarHBondContact O-N 3.03Å; N138-L140 VanDerWaalsContact C-N 3.32Å; L140-G144 PolarHBondContact O-N 2.98Å; L140-I405 HydrophobicContact CD1-CD1 3.49Å; L140-I405 VanDerWaalsContact CD1-CD1 3.49Å; L140-F501 HydrophobicContact CD1-CE2 4.26Å; L140-F501 HydrophobicContact CD1-CZ 4.23Å
141G83.5Confident87.9Confident37 Ų3751.9 Ų51.938%0.38127%0.268SS..Hα-helixtrans58.4-151.8-175.800000112.7V137 A143 G144V137-G141 PolarHBondContact O-N 3.3Å; G141-A143 VanDerWaalsContact C-N 3.27Å; G141-A143 PolarHBondContact O-N 2.65Å; G141-G144 PolarHBondContact O-N 3.38Å; G141-G144 VanDerWaalsContact O-N 3.15Å
142K86.2Confident87.9Confident90 Ų9046.4 Ų46.439%0.39124%0.243SC..Hα-helixtrans-60.2-34.6-178.6-173175.1-179.7177.10112.9G144 L145 I146 V170 D171 M174K142-G144 VanDerWaalsContact C-N 3.26Å; K142-G144 PolarHBondContact O-N 3.44Å; K142-L145 WeakPolarHBondContact O-CB 3.24Å; K142-L145 PolarHBondContact O-N 3.33Å; K142-L145 VanDerWaalsContact O-N 3.08Å; K142-I146 HydrophobicContact CG-CD1 4.11Å; K142-I146 HydrophobicContact CG-CG1 4.48Å; K142-I146 WeakPolarHBondContact O-CG1 3.43Å; K142-I146 PolarHBondContact O-N 3.18Å; K142-I146 VanDerWaalsContact O-N 3.09Å; K142-V170 HydrophobicContact CG-CG1 4.22Å; K142-D171 WeakPolarHBondContact CE-OD1 3.05Å; K142-D171 IonicContact NZ-OD1 3.71Å; K142-D171 PolarHBondContact NZ-OD1 2.7Å; K142-D171 IonicContact NZ-OD2 3.58Å; K142-M174 HydrophobicContact CD-CE 3.88Å; K142-M174 HydrophobicContact CG-CE 3.86Å
143A87.1Confident87.9Confident57 Ų5742.4 Ų42.447%0.47123%0.225SC..Hα-helixtrans-59-37.417700000112.3G141 L145 I146 N147G141-A143 VanDerWaalsContact C-N 3.27Å; G141-A143 PolarHBondContact O-N 2.65Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.4Å; A143-I146 PolarHBondContact O-N 3.32Å; A143-N147 WeakPolarHBondContact O-CB 3.24Å; A143-N147 VanDerWaalsContact O-CG 3.25Å; A143-N147 PolarHBondContact O-N 2.81Å
144G86.7Confident87.7Confident0 Ų043.8 Ų43.80%023%0.234CC..Hα-helixtrans-62.4-39174.700000113.2L140 G141 K142 N147 V148L140-G144 PolarHBondContact O-N 2.98Å; G141-G144 PolarHBondContact O-N 3.38Å; G141-G144 VanDerWaalsContact O-N 3.15Å; K142-G144 VanDerWaalsContact C-N 3.26Å; K142-G144 PolarHBondContact O-N 3.44Å; G144-N147 PolarHBondContact O-N 3.14Å; G144-V148 WeakPolarHBondContact O-CG2 3.23Å; G144-V148 PolarHBondContact O-N 3.28Å; G144-V148 VanDerWaalsContact O-N 3.09Å
145L90.9Very high87.5Confident13 Ų1343.7 Ų43.77%0.06823%0.232CC..Hα-helixtrans-68.6-41.9177.8-63.3172.8000111.8V137 K142 A143 N147 V148 A149 V170 M174 V399 L400V137-L145 HydrophobicContact CG1-CD2 3.82Å; V137-L145 HydrophobicContact CG1-CG 4.31Å; K142-L145 WeakPolarHBondContact O-CB 3.24Å; K142-L145 PolarHBondContact O-N 3.33Å; K142-L145 VanDerWaalsContact O-N 3.08Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.4Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 2.86Å; L145-V148 PolarHBondContact O-N 3.28Å; L145-A149 WeakPolarHBondContact O-CB 3.23Å; L145-A149 PolarHBondContact O-N 2.87Å; L145-V170 HydrophobicContact CB-CG1 4.1Å; L145-V170 HydrophobicContact CB-CG2 3.96Å; L145-V170 HydrophobicContact CD1-CG1 4.38Å; L145-M174 HydrophobicContact CD1-CE 4.44Å; L145-V399 HydrophobicContact CD2-CB 4.32Å; L145-V399 HydrophobicContact CD2-CG1 3.67Å; L145-L400 HydrophobicContact CD1-CD2 3.74Å; L145-L400 HydrophobicContact CD2-CD2 3.86Å; L145-L400 HydrophobicContact CD2-CG 4.19Å; L145-L400 HydrophobicContact CG-CD2 4.47Å
146I92.4Very high87.3Confident34 Ų3441.5 Ų41.517%0.17422%0.224CC..Hα-helixtrans-60.2-45.3176.1-64163.7000109.8K142 A143 V148 A149 R150 S166 V170K142-I146 HydrophobicContact CG-CD1 4.11Å; K142-I146 HydrophobicContact CG-CG1 4.48Å; K142-I146 WeakPolarHBondContact O-CG1 3.43Å; K142-I146 PolarHBondContact O-N 3.18Å; K142-I146 VanDerWaalsContact O-N 3.09Å; A143-I146 PolarHBondContact O-N 3.32Å; I146-V148 PolarHBondContact O-N 3.14Å; I146-A149 WeakPolarHBondContact O-CB 3.33Å; I146-A149 PolarHBondContact O-N 3.07Å; I146-R150 WeakPolarHBondContact O-CB 3.34Å; I146-R150 PolarHBondContact O-N 3.08Å; I146-S166 WeakPolarHBondContact CG2-OG 3.37Å; I146-V170 HydrophobicContact CG1-CG1 4.49Å; I146-V170 HydrophobicContact CG1-CG2 4.35Å
147N91.5Very high86.9Confident45 Ų4540.6 Ų40.624%0.24122%0.218CC..Hα-helixtrans-62.3-40.5178.3-77.3-3.5000112.9A143 G144 L145 R150 T151 G499 F501A143-N147 WeakPolarHBondContact O-CB 3.24Å; A143-N147 VanDerWaalsContact O-CG 3.25Å; A143-N147 PolarHBondContact O-N 2.81Å; G144-N147 PolarHBondContact O-N 3.14Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 2.86Å; N147-R150 PolarHBondContact O-N 2.63Å; N147-T151 PolarHBondContact O-N 3.01Å; N147-T151 PolarHBondContact O-OG1 3.03Å; N147-G499 WeakPolarHBondContact CB-O 3.36Å; N147-F501 HydrophobicContact CB-CD2 4.18Å
148V92.5Very high87Confident1 Ų140.1 Ų40.11%0.00622%0.216CC..Hα-helixtrans-66.9-43.3174.91770000111.2G144 L145 I146 R150 T151 A152 V395 V399 I405 F501 P503G144-V148 WeakPolarHBondContact O-CG2 3.23Å; G144-V148 PolarHBondContact O-N 3.28Å; G144-V148 VanDerWaalsContact O-N 3.09Å; L145-V148 PolarHBondContact O-N 3.28Å; I146-V148 PolarHBondContact O-N 3.14Å; V148-R150 VanDerWaalsContact C-N 3.34Å; V148-R150 PolarHBondContact O-N 3.16Å; V148-T151 WeakPolarHBondContact O-CB 3.33Å; V148-T151 PolarHBondContact O-N 2.98Å; V148-A152 PolarHBondContact O-N 2.91Å; V148-A152 VanDerWaalsContact O-N 3.14Å; V148-V395 HydrophobicContact CG1-CG1 3.4Å; V148-V399 HydrophobicContact CB-CG2 4.33Å; V148-V399 HydrophobicContact CG1-CG2 3.65Å; V148-V399 HydrophobicContact CG2-CG2 4.3Å; V148-I405 HydrophobicContact CG2-CG2 3.75Å; V148-F501 HydrophobicContact CG2-CB 3.62Å; V148-P503 HydrophobicContact CG1-CG 4.46Å
149A92.7Very high87Confident0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-59.5-46.3175.300000111.1L145 I146 T151 A152 M153 V170 V396L145-A149 WeakPolarHBondContact O-CB 3.23Å; L145-A149 PolarHBondContact O-N 2.87Å; I146-A149 WeakPolarHBondContact O-CB 3.33Å; I146-A149 PolarHBondContact O-N 3.07Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 3.2Å; A149-A152 PolarHBondContact O-N 3.45Å; A149-M153 VanDerWaalsContact O-CG 3.27Å; A149-M153 WeakPolarHBondContact O-CG 3.44Å; A149-M153 PolarHBondContact O-N 3.39Å; A149-M153 VanDerWaalsContact O-N 3.14Å; A149-V170 HydrophobicContact CB-CG2 4.2Å; A149-V396 HydrophobicContact CB-CG2 3.61Å
150R92.8Very high87.2Confident115 Ų11538.2 Ų38.243%0.43421%0.212SC..Hα-helixtrans-58.2-39.5175.8-179.7173.3170.7164-7.1112.1I146 N147 V148 M153 S154 A162 D163I146-R150 WeakPolarHBondContact O-CB 3.34Å; I146-R150 PolarHBondContact O-N 3.08Å; N147-R150 PolarHBondContact O-N 2.63Å; V148-R150 VanDerWaalsContact C-N 3.34Å; V148-R150 PolarHBondContact O-N 3.16Å; R150-M153 PolarHBondContact O-N 3.05Å; R150-S154 PolarHBondContact O-N 2.83Å; R150-S154 VanDerWaalsContact O-N 3.15Å; R150-A162 HydrophobicContact CG-CB 4.16Å; R150-D163 IonicContact CZ-OD1 3.98Å; R150-D163 IonicContact NE-OD1 3.03Å; R150-D163 IonicContact NH1-OD1 2.82Å; R150-D163 PolarHBondContact NH1-OD1 2.89Å; R150-D163 IonicContact NH1-OD2 2.86Å
151T92Very high87.8Confident23 Ų2337.8 Ų37.814%0.14121%0.21CC..Hα-helixtrans-61.9-45.5176.6-58.50000111.5N147 V148 A149 M153 S154 V500 F501 E502N147-T151 PolarHBondContact O-N 3.01Å; N147-T151 PolarHBondContact O-OG1 3.03Å; V148-T151 WeakPolarHBondContact O-CB 3.33Å; V148-T151 PolarHBondContact O-N 2.98Å; A149-T151 VanDerWaalsContact C-N 3.28Å; A149-T151 PolarHBondContact O-N 3.2Å; T151-M153 VanDerWaalsContact C-N 3.25Å; T151-M153 PolarHBondContact O-N 3.32Å; T151-S154 WeakPolarHBondContact O-CB 3Å; T151-S154 PolarHBondContact O-N 3.14Å; T151-S154 PolarHBondContact O-OG 3.48Å; T151-V500 HydrophobicContact CG2-CG1 3.83Å; T151-F501 WeakPolarHBondContact CB-O 3.32Å; T151-F501 WeakPolarHBondContact CG2-O 3.25Å; T151-F501 PolarHBondContact OG1-N 3.13Å; T151-F501 PolarHBondContact OG1-O 3.5Å; T151-E502 HydrophobicContact CG2-CG 4.21Å
152A90.6Very high88Confident6 Ų636.2 Ų36.25%0.0519%0.193CC..Hα-helixtrans-66.6-25.2178.600000113.8V148 A149 K156 A392 V395V148-A152 PolarHBondContact O-N 2.91Å; V148-A152 VanDerWaalsContact O-N 3.14Å; A149-A152 PolarHBondContact O-N 3.45Å; A152-K156 WeakPolarHBondContact O-CE 2.85Å; A152-A392 HydrophobicContact CB-CB 4.39Å; A152-V395 HydrophobicContact CB-CB 4.13Å; A152-V395 HydrophobicContact CB-CG1 4.16Å; A152-V395 HydrophobicContact CB-CG2 3.86Å
153M89.7Confident88.2Confident0 Ų036.6 Ų36.60%020%0.199CC..Hα-helixtrans-86.5-14177.8-64.6-175.9177.300113.3A149 R150 T151 S155 K156 I158 F165 A169 L389 A392A149-M153 VanDerWaalsContact O-CG 3.27Å; A149-M153 WeakPolarHBondContact O-CG 3.44Å; A149-M153 PolarHBondContact O-N 3.39Å; A149-M153 VanDerWaalsContact O-N 3.14Å; R150-M153 PolarHBondContact O-N 3.05Å; T151-M153 VanDerWaalsContact C-N 3.25Å; T151-M153 PolarHBondContact O-N 3.32Å; M153-S155 VanDerWaalsContact C-N 3.3Å; M153-S155 PolarHBondContact O-N 3.3Å; M153-K156 PolarHBondContact O-N 2.79Å; M153-K156 VanDerWaalsContact O-N 3.1Å; M153-I158 HydrophobicContact CB-CD1 3.97Å; M153-I158 HydrophobicContact CB-CG1 4.02Å; M153-I158 HydrophobicContact CE-CD1 4.01Å; M153-I158 HydrophobicContact CG-CD1 3.5Å; M153-I158 VanDerWaalsContact CG-CD1 3.5Å; M153-I158 HydrophobicContact CG-CG1 4.12Å; M153-I158 HydrophobicContact SD-CD1 3.64Å; M153-I158 HydrophobicContact SD-CG1 4.38Å; M153-F165 HydrophobicContact CE-CB 3.78Å; M153-F165 HydrophobicContact SD-CB 3.59Å; M153-F165 VanDerWaalsContact SD-CB 3.59Å; M153-A169 HydrophobicContact CE-CB 4.15Å; M153-L389 HydrophobicContact CE-CD1 4.04Å; M153-A392 HydrophobicContact CE-CB 3.27Å; M153-A392 HydrophobicContact CG-CB 3.85Å; M153-A392 HydrophobicContact SD-CB 4.42Å
154S86.5Confident88.4Confident28 Ų2836.5 Ų36.520%0.19619%0.19CC..THydrogen-bonded Turntrans-64.3-29.9-165.567.70000114.6P35 R150 T151 N159P35-S154 VanDerWaalsContact CA-O 3.3Å; P35-S154 WeakPolarHBondContact CA-O 3.41Å; R150-S154 PolarHBondContact O-N 2.83Å; R150-S154 VanDerWaalsContact O-N 3.15Å; T151-S154 WeakPolarHBondContact O-CB 3Å; T151-S154 PolarHBondContact O-N 3.14Å; T151-S154 PolarHBondContact O-OG 3.48Å; S154-N159 PolarHBondContact O-ND2 3.34Å; S154-N159 VanDerWaalsContact O-ND2 3.16Å
155S84.6Confident88.7Confident26 Ų2636.5 Ų36.518%0.18219%0.19CC..THydrogen-bonded Turntrans-90.46.2178.769.40000114.4G34 N53 M153G34-S155 WeakPolarHBondContact O-CB 3.39Å; N53-S155 PolarHBondContact ND2-O 3.4Å; N53-S155 PolarHBondContact OD1-O 2.76Å; N53-S155 PolarHBondContact OD1-OG 3.04Å; M153-S155 VanDerWaalsContact C-N 3.3Å; M153-S155 PolarHBondContact O-N 3.3Å
156K84.8Confident88.7Confident15 Ų1535.9 Ų35.97%0.06519%0.186CC..SBendtrans-121.1166-168.5-53-176.7-170.3173.30111.6A152 M153 I158 N159 S388 D391A152-K156 WeakPolarHBondContact O-CE 2.85Å; M153-K156 PolarHBondContact O-N 2.79Å; M153-K156 VanDerWaalsContact O-N 3.1Å; K156-I158 HydrophobicContact CB-CG1 4.29Å; K156-I158 PolarHBondContact O-N 3.47Å; K156-N159 WeakPolarHBondContact O-CB 3.42Å; K156-N159 PolarHBondContact O-N 3.02Å; K156-S388 WeakPolarHBondContact CB-OG 3.49Å; K156-S388 VanDerWaalsContact CD-CB 3.48Å; K156-S388 VanDerWaalsContact CD-OG 3.31Å; K156-S388 WeakPolarHBondContact CD-OG 3.44Å; K156-D391 VanDerWaalsContact NZ-CG 3.3Å; K156-D391 IonicContact NZ-OD2 2.67Å; K156-D391 PolarHBondContact NZ-OD2 3.21Å
157L81Confident88.8Confident44 Ų4436.9 Ų36.923%0.2319%0.191CC..G310 helixtrans-54.6-30.6-178.9-65.7176.3000113.9D39 N159 Y381 E384D39-L157 WeakPolarHBondContact OD2-CD2 3.29Å; D39-L157 VanDerWaalsContact OD2-CG 3.23Å; D39-L157 WeakPolarHBondContact OD2-CG 3.42Å; L157-N159 PolarHBondContact O-N 3.43Å; L157-Y381 HydrophobicContact CB-CE2 4.12Å; L157-Y381 HydrophobicContact CD1-CD2 3.84Å; L157-Y381 HydrophobicContact CD1-CE2 3.79Å; L157-Y381 HydrophobicContact CD2-CE2 4.25Å; L157-Y381 HydrophobicContact CG-CE2 4.28Å; L157-E384 HydrophobicContact CD1-CB 3.9Å; L157-E384 HydrophobicContact CD1-CG 3.64Å; L157-E384 HydrophobicContact CG-CG 4.19Å
158I84.3Confident88.8Confident1 Ų135.5 Ų35.51%0.00518%0.183CC..G310 helixtrans-72.7-2.717959.2172.5000114.3M153 K156 L160 D161 A162 F165 M385M153-I158 HydrophobicContact CB-CD1 3.97Å; M153-I158 HydrophobicContact CB-CG1 4.02Å; M153-I158 HydrophobicContact CE-CD1 4.01Å; M153-I158 HydrophobicContact CG-CD1 3.5Å; M153-I158 VanDerWaalsContact CG-CD1 3.5Å; M153-I158 HydrophobicContact CG-CG1 4.12Å; M153-I158 HydrophobicContact SD-CD1 3.64Å; M153-I158 HydrophobicContact SD-CG1 4.38Å; K156-I158 HydrophobicContact CB-CG1 4.29Å; K156-I158 PolarHBondContact O-N 3.47Å; I158-L160 PolarHBondContact O-N 3.44Å; I158-D161 CarbonylContact O-C 3.54Å; I158-D161 PolarHBondContact O-N 2.88Å; I158-A162 PolarHBondContact O-N 3.2Å; I158-F165 HydrophobicContact CB-CD2 4.04Å; I158-F165 HydrophobicContact CB-CE2 4.39Å; I158-F165 HydrophobicContact CG2-CD2 4.37Å; I158-F165 HydrophobicContact CG2-CE2 4.32Å; I158-M385 HydrophobicContact CG2-CB 3.98Å; I158-M385 HydrophobicContact CG2-CE 4.37Å; I158-M385 HydrophobicContact CG2-CG 3.68Å
159N83.4Confident88.8Confident66 Ų6635.4 Ų35.435%0.35318%0.182SC..G310 helixtrans-59.4-29.4-179.5-172.334.7000113.1S154 K156 L157 D161 A162S154-N159 PolarHBondContact O-ND2 3.34Å; S154-N159 VanDerWaalsContact O-ND2 3.16Å; K156-N159 WeakPolarHBondContact O-CB 3.42Å; K156-N159 PolarHBondContact O-N 3.02Å; L157-N159 PolarHBondContact O-N 3.43Å; N159-D161 VanDerWaalsContact C-N 3.3Å; N159-D161 PolarHBondContact O-N 2.94Å; N159-A162 WeakPolarHBondContact O-CB 3.47Å; N159-A162 PolarHBondContact O-N 3.14Å
160L84Confident88.8Confident143 Ų14335.5 Ų35.575%0.74918%0.183SC*.G310 helixtrans-59.4-38.6179.1-67.8173.5000113I158 M202I158-L160 PolarHBondContact O-N 3.44Å; L160-M202 HydrophobicContact CB-CE 4.23Å
161D87.7Confident88.8Confident50 Ų5032.4 Ų32.427%0.26718%0.175SC..G310 helixtrans-115.434.6176-66.2-41.1000111.1I158 N159 D163 M164 F165 M202 S203I158-D161 CarbonylContact O-C 3.54Å; I158-D161 PolarHBondContact O-N 2.88Å; N159-D161 VanDerWaalsContact C-N 3.3Å; N159-D161 PolarHBondContact O-N 2.94Å; D161-D163 PolarHBondContact O-N 3.26Å; D161-D163 VanDerWaalsContact O-N 3.12Å; D161-M164 HydrophobicContact CB-CB 4.41Å; D161-M164 PolarHBondContact O-N 3.18Å; D161-F165 HydrophobicContact CB-CD2 4Å; D161-F165 HydrophobicContact CB-CE2 3.95Å; D161-F165 WeakPolarHBondContact O-CD2 3.3Å; D161-F165 PolarHBondContact O-N 2.99Å; D161-F165 VanDerWaalsContact O-N 3.1Å; D161-M202 HydrophobicContact CB-CE 3.88Å; D161-M202 VanDerWaalsContact OD2-CG 3.31Å; D161-M202 WeakPolarHBondContact OD2-CG 3.38Å; D161-S203 PolarHBondContact OD2-N 3.17Å
162A86.5Confident88.8Confident4 Ų431.3 Ų31.33%0.03317%0.168CC..Hα-helixtrans-55.3-34.7-175.300000112.8R150 I158 N159 F165 S166R150-A162 HydrophobicContact CG-CB 4.16Å; I158-A162 PolarHBondContact O-N 3.2Å; N159-A162 WeakPolarHBondContact O-CB 3.47Å; N159-A162 PolarHBondContact O-N 3.14Å; A162-F165 PolarHBondContact O-N 2.86Å; A162-S166 WeakPolarHBondContact O-CB 3.43Å; A162-S166 PolarHBondContact O-N 3.43Å; A162-S166 PolarHBondContact O-OG 2.93Å
163D89.7Confident88.7Confident97 Ų9731 Ų3152%0.51917%0.166SC..Hα-helixtrans-65.6-38.4179.3-68.8-24.2000111.9R150 D161 S166 Q167R150-D163 IonicContact CZ-OD1 3.98Å; R150-D163 IonicContact NE-OD1 3.03Å; R150-D163 IonicContact NH1-OD1 2.82Å; R150-D163 PolarHBondContact NH1-OD1 2.89Å; R150-D163 IonicContact NH1-OD2 2.86Å; D161-D163 PolarHBondContact O-N 3.26Å; D161-D163 VanDerWaalsContact O-N 3.12Å; D163-S166 WeakPolarHBondContact CA-OG 3.11Å; D163-S166 PolarHBondContact O-OG 2.94Å; D163-S166 VanDerWaalsContact O-OG 3.04Å; D163-Q167 WeakPolarHBondContact O-CB 3.47Å; D163-Q167 PolarHBondContact O-N 3.49Å
164M91.9Very high88.6Confident55 Ų5534.4 Ų34.427%0.27118%0.183SC..Hα-helixtrans-69.8-48.8175.9-172.8-167.877.400111D161 Q167 M168 M202D161-M164 HydrophobicContact CB-CB 4.41Å; D161-M164 PolarHBondContact O-N 3.18Å; M164-Q167 PolarHBondContact O-N 3.3Å; M164-M168 HydrophobicContact CE-CE 4.33Å; M164-M168 VanDerWaalsContact O-CB 3.32Å; M164-M168 WeakPolarHBondContact O-CB 3.28Å; M164-M168 PolarHBondContact O-N 3.1Å; M164-M202 WeakPolarHBondContact CE-O 2.87Å
165F92.9Very high88.6Confident0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-70.1-35.1-177.3-74.3-67.3000112.8M153 I158 D161 A162 M168 A169 M202 L374 M385M153-F165 HydrophobicContact CE-CB 3.78Å; M153-F165 HydrophobicContact SD-CB 3.59Å; M153-F165 VanDerWaalsContact SD-CB 3.59Å; I158-F165 HydrophobicContact CB-CD2 4.04Å; I158-F165 HydrophobicContact CB-CE2 4.39Å; I158-F165 HydrophobicContact CG2-CD2 4.37Å; I158-F165 HydrophobicContact CG2-CE2 4.32Å; D161-F165 HydrophobicContact CB-CD2 4Å; D161-F165 HydrophobicContact CB-CE2 3.95Å; D161-F165 WeakPolarHBondContact O-CD2 3.3Å; D161-F165 PolarHBondContact O-N 2.99Å; D161-F165 VanDerWaalsContact O-N 3.1Å; A162-F165 PolarHBondContact O-N 2.86Å; F165-M168 HydrophobicContact CD1-SD 4.44Å; F165-M168 PolarHBondContact O-N 3.22Å; F165-A169 VanDerWaalsContact O-CB 3.3Å; F165-A169 WeakPolarHBondContact O-CB 3.37Å; F165-A169 PolarHBondContact O-N 3.05Å; F165-M202 HydrophobicContact CE2-CE 3.8Å; F165-M202 HydrophobicContact CZ-CB 4.45Å; F165-L374 HydrophobicContact CE1-CD2 3.78Å; F165-M385 HydrophobicContact CE1-CE 4.08Å; F165-M385 HydrophobicContact CE2-CE 4.15Å; F165-M385 HydrophobicContact CZ-CE 3.41Å; F165-M385 VanDerWaalsContact CZ-CE 3.41Å
166S91.9Very high88.7Confident0 Ų033.4 Ų33.40%018%0.177CC..Hα-helixtrans-64.5-44.6175.256.50000111.4I146 A162 D163 A169 V170I146-S166 WeakPolarHBondContact CG2-OG 3.37Å; A162-S166 WeakPolarHBondContact O-CB 3.43Å; A162-S166 PolarHBondContact O-N 3.43Å; A162-S166 PolarHBondContact O-OG 2.93Å; D163-S166 WeakPolarHBondContact CA-OG 3.11Å; D163-S166 PolarHBondContact O-OG 2.94Å; D163-S166 VanDerWaalsContact O-OG 3.04Å; S166-A169 PolarHBondContact O-N 3.4Å; S166-V170 WeakPolarHBondContact O-CB 3.22Å; S166-V170 WeakPolarHBondContact O-CG2 3.45Å; S166-V170 PolarHBondContact O-N 3.4Å; S166-V170 VanDerWaalsContact O-N 3.1Å
167Q93.1Very high88.7Confident56 Ų5636.9 Ų36.926%0.26219%0.194SC..Hα-helixtrans-61.2-45.9174.4-175.153.241.700111.2D163 M164 V170 D171D163-Q167 WeakPolarHBondContact O-CB 3.47Å; D163-Q167 PolarHBondContact O-N 3.49Å; M164-Q167 PolarHBondContact O-N 3.3Å; Q167-V170 PolarHBondContact O-N 3.06Å; Q167-D171 PolarHBondContact NE2-OD1 2.87Å; Q167-D171 PolarHBondContact NE2-OD2 3.31Å; Q167-D171 WeakPolarHBondContact O-CB 3.17Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.09Å
168M92.7Very high88.8Confident15 Ų1537.1 Ų37.17%0.07420%0.197CC..Hα-helixtrans-61.4-45.5178.2-177.3176.9-60.700113M164 F165 V170 D171 A172 S205 L207 I372M164-M168 HydrophobicContact CE-CE 4.33Å; M164-M168 VanDerWaalsContact O-CB 3.32Å; M164-M168 WeakPolarHBondContact O-CB 3.28Å; M164-M168 PolarHBondContact O-N 3.1Å; F165-M168 HydrophobicContact CD1-SD 4.44Å; F165-M168 PolarHBondContact O-N 3.22Å; M168-V170 VanDerWaalsContact C-N 3.34Å; M168-V170 PolarHBondContact O-N 2.97Å; M168-D171 PolarHBondContact O-N 3.3Å; M168-A172 VanDerWaalsContact O-CB 3.25Å; M168-A172 WeakPolarHBondContact O-CB 3.5Å; M168-A172 PolarHBondContact O-N 3.46Å; M168-S205 WeakPolarHBondContact CE-O 3.2Å; M168-L207 HydrophobicContact CG-CB 4.07Å; M168-L207 HydrophobicContact CG-CD1 4.3Å; M168-I372 HydrophobicContact CG-CD1 3.91Å; M168-I372 HydrophobicContact CG-CG1 4.02Å; M168-I372 HydrophobicContact CG-CG2 4.48Å; M168-I372 HydrophobicContact SD-CB 4.33Å; M168-I372 HydrophobicContact SD-CD1 4.27Å; M168-I372 HydrophobicContact SD-CG1 4.05Å; M168-I372 HydrophobicContact SD-CG2 3.45Å; M168-I372 WeakPolarHBondContact SD-CG2 3.5Å
169A92.6Very high88.5Confident0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-63.3-41.9179.200000111.6M153 F165 S166 L173 L389 L393M153-A169 HydrophobicContact CE-CB 4.15Å; F165-A169 VanDerWaalsContact O-CB 3.3Å; F165-A169 WeakPolarHBondContact O-CB 3.37Å; F165-A169 PolarHBondContact O-N 3.05Å; S166-A169 PolarHBondContact O-N 3.4Å; A169-L173 WeakPolarHBondContact O-CG 3.15Å; A169-L173 PolarHBondContact O-N 3.35Å; A169-L173 VanDerWaalsContact O-N 3.09Å; A169-L389 HydrophobicContact CB-CD1 3.95Å; A169-L393 HydrophobicContact CB-CD2 3.84Å; A169-L393 HydrophobicContact CB-CG 4.39Å; A169-L393 WeakPolarHBondContact O-CD2 3.3Å
170V92.7Very high87.8Confident1 Ų140.7 Ų40.71%0.00623%0.231CC..Hα-helixtrans-67.9-42.6179.1168.70000111.3K142 L145 I146 A149 S166 Q167 M168 L173 M174 V396K142-V170 HydrophobicContact CG-CG1 4.22Å; L145-V170 HydrophobicContact CB-CG1 4.1Å; L145-V170 HydrophobicContact CB-CG2 3.96Å; L145-V170 HydrophobicContact CD1-CG1 4.38Å; I146-V170 HydrophobicContact CG1-CG1 4.49Å; I146-V170 HydrophobicContact CG1-CG2 4.35Å; A149-V170 HydrophobicContact CB-CG2 4.2Å; S166-V170 WeakPolarHBondContact O-CB 3.22Å; S166-V170 WeakPolarHBondContact O-CG2 3.45Å; S166-V170 PolarHBondContact O-N 3.4Å; S166-V170 VanDerWaalsContact O-N 3.1Å; Q167-V170 PolarHBondContact O-N 3.06Å; M168-V170 VanDerWaalsContact C-N 3.34Å; M168-V170 PolarHBondContact O-N 2.97Å; V170-L173 PolarHBondContact O-N 3.47Å; V170-M174 HydrophobicContact CB-CE 4.48Å; V170-M174 HydrophobicContact CG1-CE 3.14Å; V170-M174 WeakPolarHBondContact O-CG 2.86Å; V170-M174 PolarHBondContact O-N 2.91Å; V170-V396 HydrophobicContact CG2-CG1 4.21Å; V170-V396 HydrophobicContact CG2-CG2 4.19Å
171D91.8Very high87.4Confident50 Ų5036.4 Ų36.427%0.26722%0.222SC..Hα-helixtrans-67.9-43177-70.8-16.4000112K142 Q167 M168 L173 M174 A175 L207K142-D171 WeakPolarHBondContact CE-OD1 3.05Å; K142-D171 IonicContact NZ-OD1 3.71Å; K142-D171 PolarHBondContact NZ-OD1 2.7Å; K142-D171 IonicContact NZ-OD2 3.58Å; Q167-D171 PolarHBondContact NE2-OD1 2.87Å; Q167-D171 PolarHBondContact NE2-OD2 3.31Å; Q167-D171 WeakPolarHBondContact O-CB 3.17Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.09Å; M168-D171 PolarHBondContact O-N 3.3Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.37Å; D171-M174 PolarHBondContact O-N 3.39Å; D171-A175 VanDerWaalsContact O-CB 3.3Å; D171-A175 WeakPolarHBondContact O-CB 2.97Å; D171-A175 PolarHBondContact O-N 2.77Å; D171-L207 HydrophobicContact CB-CD2 3.74Å
172A91.8Very high86.6Confident0 Ų040.8 Ų40.80%025%0.253CS..Hα-helixtrans-60.2-40.7176.400000112.2M168 A175 V176 V192 L207 A370 I372M168-A172 VanDerWaalsContact O-CB 3.25Å; M168-A172 WeakPolarHBondContact O-CB 3.5Å; M168-A172 PolarHBondContact O-N 3.46Å; A172-A175 PolarHBondContact O-N 3.16Å; A172-V176 PolarHBondContact O-N 3.14Å; A172-V192 HydrophobicContact CB-CG1 4.15Å; A172-V192 HydrophobicContact CB-CG2 4.38Å; A172-L207 HydrophobicContact CB-CD1 3.79Å; A172-A370 HydrophobicContact CB-CB 4Å; A172-I372 HydrophobicContact CB-CD1 3.84Å; A172-I372 HydrophobicContact CB-CG1 4.34Å
173L90.1Very high85.8Confident0 Ų050 Ų500%029%0.293CS..Hα-helixtrans-71.6-42.1178.1-79.2170.8000113.3A169 V170 D171 A175 V176 Y187 L393 V396 L400A169-L173 WeakPolarHBondContact O-CG 3.15Å; A169-L173 PolarHBondContact O-N 3.35Å; A169-L173 VanDerWaalsContact O-N 3.09Å; V170-L173 PolarHBondContact O-N 3.47Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.37Å; L173-A175 PolarHBondContact O-N 2.9Å; L173-V176 HydrophobicContact CD2-CG2 4.32Å; L173-V176 VanDerWaalsContact O-CG2 3.31Å; L173-V176 WeakPolarHBondContact O-CG2 3.03Å; L173-V176 PolarHBondContact O-N 3.29Å; L173-V176 VanDerWaalsContact O-N 3.14Å; L173-Y187 WeakPolarHBondContact O-CD1 3.31Å; L173-L393 HydrophobicContact CD1-CB 4.31Å; L173-L393 HydrophobicContact CD1-CD2 3.8Å; L173-L393 WeakPolarHBondContact CD1-O 3.49Å; L173-L393 HydrophobicContact CD2-CD2 4.26Å; L173-L393 HydrophobicContact CG-CD2 3.64Å; L173-V396 HydrophobicContact CD1-CB 3.53Å; L173-V396 HydrophobicContact CD1-CG1 3.48Å; L173-V396 VanDerWaalsContact CD1-CG1 3.48Å; L173-L400 HydrophobicContact CB-CD1 4.48Å
174M87.6Confident85.2Confident72 Ų7246.8 Ų46.836%0.35528%0.282SS..Hα-helixtrans-62.5-35.2174.3-78.7-166-102.700111.4K142 L145 V170 D171 V176 E177K142-M174 HydrophobicContact CD-CE 3.88Å; K142-M174 HydrophobicContact CG-CE 3.86Å; L145-M174 HydrophobicContact CD1-CE 4.44Å; V170-M174 HydrophobicContact CB-CE 4.48Å; V170-M174 HydrophobicContact CG1-CE 3.14Å; V170-M174 WeakPolarHBondContact O-CG 2.86Å; V170-M174 PolarHBondContact O-N 2.91Å; D171-M174 PolarHBondContact O-N 3.39Å; M174-V176 VanDerWaalsContact C-N 3.27Å; M174-V176 PolarHBondContact O-N 3.06Å; M174-E177 PolarHBondContact O-N 3.41Å
175A85.9Confident84.7Confident30 Ų3046.1 Ų46.125%0.24828%0.282CS..Hα-helixtrans-67.4-21.9175.600000113.5D171 A172 L173 P368 A370D171-A175 VanDerWaalsContact O-CB 3.3Å; D171-A175 WeakPolarHBondContact O-CB 2.97Å; D171-A175 PolarHBondContact O-N 2.77Å; A172-A175 PolarHBondContact O-N 3.16Å; L173-A175 PolarHBondContact O-N 2.9Å; A175-P368 CarbonylContact O-C 3.51Å; A175-P368 WeakPolarHBondContact O-CB 3.38Å; A175-P368 WeakPolarHBondContact O-CG 3.32Å; A175-A370 HydrophobicContact CB-CB 4.22Å
176V85.7Confident84.3Confident3 Ų349.1 Ų49.12%0.01830%0.3CS..THydrogen-bonded Turntrans-10215.1178.5-61.30000113.4A172 L173 M174 V178 P188 A191 V192 A370A172-V176 PolarHBondContact O-N 3.14Å; L173-V176 HydrophobicContact CD2-CG2 4.32Å; L173-V176 VanDerWaalsContact O-CG2 3.31Å; L173-V176 WeakPolarHBondContact O-CG2 3.03Å; L173-V176 PolarHBondContact O-N 3.29Å; L173-V176 VanDerWaalsContact O-N 3.14Å; M174-V176 VanDerWaalsContact C-N 3.27Å; M174-V176 PolarHBondContact O-N 3.06Å; V176-V178 PolarHBondContact O-N 2.85Å; V176-P188 WeakPolarHBondContact O-CD 3.45Å; V176-A191 HydrophobicContact CB-CB 4.21Å; V176-A191 HydrophobicContact CG1-CB 3.99Å; V176-V192 HydrophobicContact CG1-CG2 3.85Å; V176-V192 HydrophobicContact CG2-CG2 3.89Å; V176-A370 HydrophobicContact CG1-CB 4.35Å
177E85.5Confident84Confident88 Ų8849.7 Ų49.741%0.41130%0.302SS..  trans-60.6120.4-179.9-173169.9154.100111.6M174 P185 Y187M174-E177 PolarHBondContact O-N 3.41Å; E177-P185 HydrophobicContact CG-CB 3.94Å; E177-P185 WeakPolarHBondContact OE1-CB 3.49Å; E177-Y187 HydrophobicContact CB-CD1 4.18Å; E177-Y187 HydrophobicContact CB-CE1 3.65Å; E177-Y187 VanDerWaalsContact CD-OH 3.3Å; E177-Y187 HydrophobicContact CG-CD1 4.36Å; E177-Y187 HydrophobicContact CG-CE1 3.59Å; E177-Y187 PolarHBondContact OE2-OH 3.42Å
178V83.3Confident83.6Confident49 Ų4949.1 Ų49.130%0.29730%0.303SS..EExtended strand (participates in β ladder)trans-112.7132.5172.7-176.90000109.1V176 G180 V186 P188V176-V178 PolarHBondContact O-N 2.85Å; V178-G180 PolarHBondContact O-N 3.2Å; V178-V186 PolarHBondContact N-O 3.04Å; V178-V186 PolarHBondContact O-N 3.29Å; V178-P188 HydrophobicContact CG2-CG 4.23Å
179S77.9Confident83.2Confident112 Ų11249.4 Ų49.478%0.78331%0.305SS*.EExtended strand (participates in β ladder)trans-64.1103.1172.3-69.90000110.4G181S179-G181 PolarHBondContact O-N 2.93Å; S179-G181 VanDerWaalsContact O-N 3.14Å
180G69Low82.6Confident29 Ų2957.8 Ų57.830%0.29934%0.341SS..  trans-79.219.2-179.900000115V178 G184V178-G180 PolarHBondContact O-N 3.2Å; G180-G184 CarbonylContact C-O 3.44Å; G180-G184 WeakPolarHBondContact CA-O 3.39Å; G180-G184 PolarHBondContact N-O 3.39Å; G180-G184 VanDerWaalsContact N-O 3.16Å
181G75.6Confident82.1Confident54 Ų5458.8 Ų58.856%0.55735%0.35SS*.G310 helixtrans64.9-137-176.100000112.6S179 K183 G184S179-G181 PolarHBondContact O-N 2.93Å; S179-G181 VanDerWaalsContact O-N 3.14Å; G181-K183 PolarHBondContact O-N 3.31Å; G181-K183 VanDerWaalsContact O-N 3.14Å; G181-G184 PolarHBondContact O-N 3.42Å
182P70.6Confident81.9Confident141 Ų14156.9 Ų56.992%0.91634%0.34SS*.G310 helixtrans-68.5-12.7-173.127.6-34.5000114.3G184P182-G184 VanDerWaalsContact C-N 3.31Å
183K69.7Low81.9Confident199 Ų19958 Ų5887%0.86535%0.346SS*.G310 helixtrans-860.2179.3-67.3-174.1178-178.80113.7G181G181-K183 PolarHBondContact O-N 3.31Å; G181-K183 VanDerWaalsContact O-N 3.14Å
184G77Confident82Confident29 Ų2959 Ų5930%0.29935%0.351SS..  trans91.3-179.1-175.900000113.1G180 G181 P182G180-G184 CarbonylContact C-O 3.44Å; G180-G184 WeakPolarHBondContact CA-O 3.39Å; G180-G184 PolarHBondContact N-O 3.39Å; G180-G184 VanDerWaalsContact N-O 3.16Å; G181-G184 PolarHBondContact O-N 3.42Å; P182-G184 VanDerWaalsContact C-N 3.31Å
185P81.8Confident82.3Confident40 Ų4056.5 Ų56.526%0.2634%0.339SS..EExtended strand (participates in β ladder)trans-65.3140.7178.528.4-34.1000110.8E177 Y187E177-P185 HydrophobicContact CG-CB 3.94Å; E177-P185 WeakPolarHBondContact OE1-CB 3.49Å; P185-Y187 HydrophobicContact CB-CE2 3.97Å; P185-Y187 HydrophobicContact CG-CE2 4Å
186V83.8Confident82.6Confident64 Ų6458.6 Ų58.639%0.38834%0.343SS..EExtended strand (participates in β ladder)trans-114.7131.4177.1175.10000108.1V178 P188V178-V186 PolarHBondContact N-O 3.04Å; V178-V186 PolarHBondContact O-N 3.29Å; V186-P188 VanDerWaalsContact O-CD 3.24Å; V186-P188 WeakPolarHBondContact O-CD 3.21Å
187Y86.7Confident82.7Confident11 Ų1158.6 Ų58.64%0.04334%0.343CS..  trans-109.395.8179.5-57.6-84.1000109.5L173 E177 P185 I189 K397 L400L173-Y187 WeakPolarHBondContact O-CD1 3.31Å; E177-Y187 HydrophobicContact CB-CD1 4.18Å; E177-Y187 HydrophobicContact CB-CE1 3.65Å; E177-Y187 VanDerWaalsContact CD-OH 3.3Å; E177-Y187 HydrophobicContact CG-CD1 4.36Å; E177-Y187 HydrophobicContact CG-CE1 3.59Å; E177-Y187 PolarHBondContact OE2-OH 3.42Å; P185-Y187 HydrophobicContact CB-CE2 3.97Å; P185-Y187 HydrophobicContact CG-CE2 4Å; Y187-I189 PolarHBondContact O-N 2.97Å; Y187-I189 VanDerWaalsContact O-N 3.15Å; Y187-K397 WeakPolarHBondContact O-CD 3.33Å; Y187-K397 WeakPolarHBondContact O-CE 3.42Å; Y187-L400 HydrophobicContact CD1-CD1 4.09Å; Y187-L400 HydrophobicContact CD2-CB 3.9Å; Y187-L400 HydrophobicContact CD2-CD1 4.23Å; Y187-L400 HydrophobicContact CE1-CD1 3.84Å; Y187-L400 HydrophobicContact CE2-CB 3.44Å; Y187-L400 VanDerWaalsContact CE2-CB 3.44Å; Y187-L400 HydrophobicContact CE2-CD1 4.02Å; Y187-L400 HydrophobicContact CE2-CG 4.27Å; Y187-L400 HydrophobicContact CG-CD1 4.28Å
188P83.8Confident82.8Confident44 Ų4458.1 Ų58.129%0.28634%0.341SS..  trans-74.7100.9178.129.5-32.6000110.5V176 V178 V186 K190 A191V176-P188 WeakPolarHBondContact O-CD 3.45Å; V178-P188 HydrophobicContact CG2-CG 4.23Å; V186-P188 VanDerWaalsContact O-CD 3.24Å; V186-P188 WeakPolarHBondContact O-CD 3.21Å; P188-K190 PolarHBondContact O-N 2.94Å; P188-A191 HydrophobicContact CB-CB 4.18Å; P188-A191 HydrophobicContact CG-CB 3.85Å; P188-A191 VanDerWaalsContact O-CB 3.24Å; P188-A191 WeakPolarHBondContact O-CB 3.3Å; P188-A191 PolarHBondContact O-N 3.27Å
189I84.6Confident83Confident21 Ų2156.7 Ų56.711%0.10834%0.335CS..G310 helixtrans-55.7-36.9176.9-67.2164.4000111.7Y187 A191 V192 L394 K397Y187-I189 PolarHBondContact O-N 2.97Å; Y187-I189 VanDerWaalsContact O-N 3.15Å; I189-A191 PolarHBondContact O-N 3.08Å; I189-V192 PolarHBondContact O-N 2.92Å; I189-L394 HydrophobicContact CD1-CB 4.44Å; I189-L394 HydrophobicContact CD1-CD2 3.16Å; I189-L394 HydrophobicContact CD1-CG 3.69Å; I189-K397 HydrophobicContact CD1-CB 4.34Å; I189-K397 HydrophobicContact CD1-CD 3.38Å; I189-K397 HydrophobicContact CD1-CG 4.5Å; I189-K397 HydrophobicContact CG1-CD 3.74Å
190K80.7Confident83.5Confident176 Ų17659 Ų5977%0.76533%0.327SS*.G310 helixtrans-63.2-11.6177.1-62.8-173178.5-1770114.1P188 N315P188-K190 PolarHBondContact O-N 2.94Å; K190-N315 PolarHBondContact O-ND2 3.44Å
191A81Confident84.4Confident22 Ų2260.1 Ų60.118%0.18233%0.33CS..G310 helixtrans-84.6-16.7173.600000112.7V176 P188 I189V176-A191 HydrophobicContact CB-CB 4.21Å; V176-A191 HydrophobicContact CG1-CB 3.99Å; P188-A191 HydrophobicContact CB-CB 4.18Å; P188-A191 HydrophobicContact CG-CB 3.85Å; P188-A191 VanDerWaalsContact O-CB 3.24Å; P188-A191 WeakPolarHBondContact O-CB 3.3Å; P188-A191 PolarHBondContact O-N 3.27Å; I189-A191 PolarHBondContact O-N 3.08Å
192V88.8Confident85.1Confident11 Ų1158.5 Ų58.57%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-87.3109.5170-176.70000107.6A172 V176 I189 A370 I372 L393A172-V192 HydrophobicContact CB-CG1 4.15Å; A172-V192 HydrophobicContact CB-CG2 4.38Å; V176-V192 HydrophobicContact CG1-CG2 3.85Å; V176-V192 HydrophobicContact CG2-CG2 3.89Å; I189-V192 PolarHBondContact O-N 2.92Å; V192-A370 WeakPolarHBondContact CA-O 3.28Å; V192-I372 HydrophobicContact CG1-CD1 4.1Å; V192-I372 HydrophobicContact CG1-CG1 4.38Å; V192-L393 HydrophobicContact CG1-CD1 4.27Å
193N91.4Very high85.9Confident23 Ų2354.7 Ų54.712%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-85.2130.6176-16517000110.1Y211 A212 A370 S371 I372N193-Y211 HydrophobicContact CB-CD2 4.4Å; N193-Y211 HydrophobicContact CB-CE1 4.22Å; N193-Y211 HydrophobicContact CB-CE2 3.86Å; N193-A212 PolarHBondContact ND2-O 3.43Å; N193-A370 PolarHBondContact N-O 3.18Å; N193-A370 VanDerWaalsContact N-O 3.13Å; N193-S371 CarbonylContact O-C 3.55Å; N193-S371 VanDerWaalsContact O-CA 3.23Å; N193-S371 WeakPolarHBondContact O-CA 3.2Å; N193-I372 PolarHBondContact O-N 3.3Å
194I92.9Very high87Confident22 Ų2248.9 Ų48.911%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-108.7117175.1-53.7174.3000107.3I372 L374 E386 L389 L393I194-I372 WeakPolarHBondContact CA-O 3.45Å; I194-L374 HydrophobicContact CG2-CD1 3.53Å; I194-L374 HydrophobicContact CG2-CG 3.89Å; I194-E386 HydrophobicContact CB-CG 4.37Å; I194-E386 HydrophobicContact CD1-CG 4.46Å; I194-E386 HydrophobicContact CG2-CB 4.36Å; I194-E386 HydrophobicContact CG2-CG 3.9Å; I194-L389 HydrophobicContact CD1-CD2 4.07Å; I194-L389 HydrophobicContact CD1-CG 4.33Å; I194-L389 HydrophobicContact CG1-CD2 4.4Å; I194-L389 HydrophobicContact CG2-CD2 4.4Å; I194-L393 HydrophobicContact CD1-CD1 3.98Å
195L92.2Very high87.7Confident18 Ų1847.9 Ų47.99%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-108.3143.8175.7-66.4-177.5000110.2A212 N214 L358 I372 I373 L374L195-A212 HydrophobicContact CD1-CB 3.45Å; L195-A212 VanDerWaalsContact CD1-CB 3.45Å; L195-A212 HydrophobicContact CG-CB 4.45Å; L195-N214 HydrophobicContact CD2-CB 4.17Å; L195-L358 HydrophobicContact CD1-CD1 3.95Å; L195-L358 HydrophobicContact CD1-CD2 4.34Å; L195-I372 PolarHBondContact N-O 2.94Å; L195-I373 HydrophobicContact CB-CG1 4.33Å; L195-I373 HydrophobicContact CD1-CD1 4.47Å; L195-L374 PolarHBondContact O-N 2.94Å
196K92Very high88.2Confident74 Ų7448.5 Ų48.532%0.32225%0.249SC..EExtended strand (participates in β ladder)trans-103.1128.1178.1-52-174.6-152.6-167.40108.3V382 D383 E386K196-V382 HydrophobicContact CB-CG1 3.52Å; K196-V382 HydrophobicContact CD-CG1 4.16Å; K196-V382 HydrophobicContact CG-CG1 3.75Å; K196-D383 WeakPolarHBondContact CD-OD1 3.37Å; K196-D383 WeakPolarHBondContact CE-OD1 3.25Å; K196-D383 IonicContact NZ-OD1 2.64Å; K196-D383 PolarHBondContact NZ-OD1 2.96Å; K196-E386 WeakPolarHBondContact CE-OE2 3.45Å; K196-E386 IonicContact NZ-OE2 3.94Å; K196-E386 PolarHBondContact NZ-OE2 3.34Å
197A89.3Confident88.6Confident3 Ų347.9 Ų47.93%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-138.8107.1169.600000108I353 I373 L374 R375A197-I353 HydrophobicContact CB-CG2 4.06Å; A197-I373 HydrophobicContact CB-CG2 4.27Å; A197-L374 PolarHBondContact N-O 3.32Å; A197-R375 WeakPolarHBondContact O-CA 3.46Å
198H87.5Confident88.8Confident79 Ų7947.9 Ų47.937%0.36624%0.244SC..EExtended strand (participates in β ladder)trans-67.1147.9174.160.7-106000110.3C354 D379H198-C354 PolarHBondContact O-SG 2.8Å; H198-C354 VanDerWaalsContact O-SG 3.32Å; H198-D379 IonicContact CE1-OD1 3.52Å; H198-D379 IonicContact CG-OD1 3.81Å; H198-D379 IonicContact ND1-OD1 2.74Å; H198-D379 PolarHBondContact ND1-OD1 3.1Å; H198-D379 IonicContact ND1-OD2 2.92Å
199G87.1Confident88.9Confident18 Ų1851.7 Ų51.719%0.18626%0.262CS..SBendtrans118.7149.6-175.400000112.9R375 G376G199-R375 WeakPolarHBondContact O-CB 3.37Å; G199-G376 PolarHBondContact N-O 3.42Å
200R88Confident89.1Confident162 Ų16250.7 Ų50.761%0.61126%0.257SS*.SBendtrans58.7-168.7-174.7-50.1-162.1-175.9179.9-6.1113.2E204R200-E204 WeakPolarHBondContact CD-OE2 3.29Å; R200-E204 IonicContact CZ-OE2 2.66Å; R200-E204 IonicContact NE-OE2 2.64Å; R200-E204 IonicContact NH1-OE2 3.57Å; R200-E204 PolarHBondContact NH1-OE2 3.28Å
201S89Confident89.5Confident51 Ų5142.5 Ų42.536%0.35722%0.221SC..  trans-87157.8-179.459.20000112.3S203 E204 R375S201-S203 PolarHBondContact O-N 3.16Å; S201-S203 PolarHBondContact OG-OG 3.45Å; S201-E204 PolarHBondContact O-N 2.72Å; S201-E204 VanDerWaalsContact O-N 3.07Å; S201-R375 WeakPolarHBondContact O-CB 3.4Å
202M89.4Confident90.1Very high20 Ų2041.4 Ų41.410%0.09921%0.213CC..G310 helixtrans-59.2-33.5173.454.8-176.6-75.300113.2L160 D161 M164 F165 E204 S205 R375 Y381 M385L160-M202 HydrophobicContact CB-CE 4.23Å; D161-M202 HydrophobicContact CB-CE 3.88Å; D161-M202 VanDerWaalsContact OD2-CG 3.31Å; D161-M202 WeakPolarHBondContact OD2-CG 3.38Å; M164-M202 WeakPolarHBondContact CE-O 2.87Å; F165-M202 HydrophobicContact CE2-CE 3.8Å; F165-M202 HydrophobicContact CZ-CB 4.45Å; M202-E204 PolarHBondContact O-N 2.81Å; M202-S205 VanDerWaalsContact O-CB 3.29Å; M202-S205 WeakPolarHBondContact O-CB 3.48Å; M202-S205 PolarHBondContact O-N 2.84Å; M202-S205 PolarHBondContact O-OG 2.95Å; M202-R375 VanDerWaalsContact CA-O 3.3Å; M202-R375 WeakPolarHBondContact CA-O 3.35Å; M202-Y381 HydrophobicContact SD-CE1 4.1Å; M202-Y381 PolarHBondContact SD-OH 3.09Å; M202-Y381 VanDerWaalsContact SD-OH 3.33Å; M202-M385 HydrophobicContact CB-CE 3.66Å; M202-M385 HydrophobicContact CB-SD 4.13Å
203S88.5Confident90.2Very high61 Ų6141 Ų4143%0.42721%0.21SC..G310 helixtrans-64.5-13.4174.855.30000114.7D161 S201D161-S203 PolarHBondContact OD2-N 3.17Å; S201-S203 PolarHBondContact O-N 3.16Å; S201-S203 PolarHBondContact OG-OG 3.45Å
204E90.9Very high90.2Very high78 Ų7843.8 Ų43.836%0.36423%0.225SC..G310 helixtrans-9510.1173.6-70.1-169.3-142.100113.4R200 S201 M202 R375R200-E204 WeakPolarHBondContact CD-OE2 3.29Å; R200-E204 IonicContact CZ-OE2 2.66Å; R200-E204 IonicContact NE-OE2 2.64Å; R200-E204 IonicContact NH1-OE2 3.57Å; R200-E204 PolarHBondContact NH1-OE2 3.28Å; S201-E204 PolarHBondContact O-N 2.72Å; S201-E204 VanDerWaalsContact O-N 3.07Å; M202-E204 PolarHBondContact O-N 2.81Å; E204-R375 WeakPolarHBondContact O-CD 3.24Å; E204-R375 IonicContact OE2-NH1 3.46Å; E204-R375 PolarHBondContact OE2-NH1 3.45Å; E204-R375 VanDerWaalsContact OE2-NH1 3.16Å
205S92.2Very high90Very high8 Ų843.7 Ų43.76%0.05623%0.226CC..  trans-61.4143.1168.7-58.10000109.7M168 M202 I373 R375M168-S205 WeakPolarHBondContact CE-O 3.2Å; M202-S205 VanDerWaalsContact O-CB 3.29Å; M202-S205 WeakPolarHBondContact O-CB 3.48Å; M202-S205 PolarHBondContact O-N 2.84Å; M202-S205 PolarHBondContact O-OG 2.95Å; S205-I373 VanDerWaalsContact CA-O 3.27Å; S205-I373 WeakPolarHBondContact CA-O 3.32Å; S205-I373 WeakPolarHBondContact CB-O 3.28Å; S205-R375 PolarHBondContact OG-N 3.22Å
206M91.7Very high90Very high52 Ų5246.3 Ų46.326%0.25624%0.243SC..EExtended strand (participates in β ladder)trans-130.2141.6-171.461.6-169.4179.900112.9I208 I353 I373M206-I208 HydrophobicContact CE-CD1 4.29Å; M206-I208 HydrophobicContact CG-CG1 4.48Å; M206-I353 HydrophobicContact CE-CD1 3.19Å; M206-I353 HydrophobicContact CE-CG1 3.74Å; M206-I353 HydrophobicContact CE-CG2 4.32Å; M206-I373 HydrophobicContact CE-CB 4.15Å; M206-I373 HydrophobicContact CE-CD1 3.66Å; M206-I373 HydrophobicContact CE-CG1 4.29Å; M206-I373 HydrophobicContact CE-CG2 4.3Å; M206-I373 HydrophobicContact CG-CB 4Å; M206-I373 PolarHBondContact N-O 3.15Å; M206-I373 PolarHBondContact O-N 3.42Å
207L93.2Very high90Very high52 Ų5243.4 Ų43.427%0.27223%0.233SC..EExtended strand (participates in β ladder)trans-88.9128167.2-174.961.4000108.8M168 D171 A172 A370 I372M168-L207 HydrophobicContact CG-CB 4.07Å; M168-L207 HydrophobicContact CG-CD1 4.3Å; D171-L207 HydrophobicContact CB-CD2 3.74Å; A172-L207 HydrophobicContact CB-CD1 3.79Å; L207-A370 HydrophobicContact CD1-CB 4.2Å; L207-I372 HydrophobicContact CD1-CD1 4.48Å; L207-I372 HydrophobicContact CD1-CG1 3.73Å
208I90.4Very high90.2Very high11 Ų1143.9 Ų43.96%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-109.7125.5174.5-63175.2000108.2M206 G210 A212 I360 S371 I373M206-I208 HydrophobicContact CE-CD1 4.29Å; M206-I208 HydrophobicContact CG-CG1 4.48Å; I208-G210 PolarHBondContact O-N 2.94Å; I208-A212 HydrophobicContact CD1-CB 4.22Å; I208-I360 HydrophobicContact CD1-CD1 3.79Å; I208-I360 HydrophobicContact CD1-CG1 4.11Å; I208-I360 HydrophobicContact CD1-CG2 4.26Å; I208-I360 HydrophobicContact CG2-CG2 3.59Å; I208-S371 PolarHBondContact N-O 2.8Å; I208-S371 PolarHBondContact O-N 3.35Å; I208-I373 HydrophobicContact CD1-CD1 3.34Å; I208-I373 HydrophobicContact CD1-CG1 3.83Å
209D86.4Confident90.4Very high124 Ų12441.4 Ų41.466%0.66323%0.228SC*.SBendtrans-73.472.8170.7-62.2-28.2000110
210G87.8Confident90.5Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans166.2-169.3-168.300000115.1I208 L361 S369 A370 S371I208-G210 PolarHBondContact O-N 2.94Å; G210-L361 CarbonylContact C-O 3.56Å; G210-L361 WeakPolarHBondContact CA-O 3.37Å; G210-S369 CarbonylContact C-O 3.46Å; G210-S369 VanDerWaalsContact C-OG 3.29Å; G210-S369 WeakPolarHBondContact CA-O 3.47Å; G210-S369 PolarHBondContact N-O 2.99Å; G210-S369 CarbonylContact O-C 3.56Å; G210-S369 PolarHBondContact O-OG 3.43Å; G210-A370 CarbonylContact O-C 3.58Å; G210-A370 WeakPolarHBondContact O-CA 3.41Å; G210-A370 PolarHBondContact O-N 2.98Å; G210-S371 PolarHBondContact O-N 2.96Å; G210-S371 VanDerWaalsContact O-N 3.08Å; G210-S371 PolarHBondContact O-OG 3.44Å
211Y90.6Very high90.7Very high3 Ų348.9 Ų48.91%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-112.2122.5173.8-154.8-86.1000110N193 D312 N315 M316 L361 S371N193-Y211 HydrophobicContact CB-CD2 4.4Å; N193-Y211 HydrophobicContact CB-CE1 4.22Å; N193-Y211 HydrophobicContact CB-CE2 3.86Å; Y211-D312 HydrophobicContact CE1-CB 3.85Å; Y211-D312 WeakPolarHBondContact OH-CA 3.48Å; Y211-D312 PolarHBondContact OH-OD1 2.97Å; Y211-N315 HydrophobicContact CE2-CB 3.78Å; Y211-N315 PolarHBondContact OH-ND2 3.38Å; Y211-M316 HydrophobicContact CD1-CG 3.32Å; Y211-M316 HydrophobicContact CD1-SD 3.68Å; Y211-M316 HydrophobicContact CD2-CG 4.22Å; Y211-M316 HydrophobicContact CE1-CG 3.83Å; Y211-M316 HydrophobicContact CE1-SD 4.21Å; Y211-M316 HydrophobicContact CG-CG 3.53Å; Y211-M316 HydrophobicContact CG-SD 4.37Å; Y211-L361 PolarHBondContact N-O 3.37Å; Y211-L361 WeakPolarHBondContact O-CB 3.22Å; Y211-L361 PolarHBondContact O-N 3.38Å; Y211-S371 VanDerWaalsContact CA-OG 3.23Å; Y211-S371 WeakPolarHBondContact CA-OG 3.42Å
212A92.4Very high90.9Very high0 Ų046.8 Ų46.80%025%0.25CC..EExtended strand (participates in β ladder)trans-99.3141.4174.200000110.1N193 L195 I208 I359 I360 S371 I373N193-A212 PolarHBondContact ND2-O 3.43Å; L195-A212 HydrophobicContact CD1-CB 3.45Å; L195-A212 VanDerWaalsContact CD1-CB 3.45Å; L195-A212 HydrophobicContact CG-CB 4.45Å; I208-A212 HydrophobicContact CD1-CB 4.22Å; A212-I359 CarbonylContact C-O 3.43Å; A212-I359 WeakPolarHBondContact CA-O 3.32Å; A212-I360 HydrophobicContact CB-CG1 4.39Å; A212-S371 PolarHBondContact N-OG 3.37Å; A212-I373 HydrophobicContact CB-CD1 4.19Å
213L92Very high91Very high1 Ų147.4 Ų47.41%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-128128-179.5-175.474.7000109.3C215 V305 C308 D312 L358 I359L213-C215 HydrophobicContact CD2-CB 3.72Å; L213-C215 HydrophobicContact CG-CB 3.91Å; L213-C215 PolarHBondContact O-N 2.98Å; L213-V305 HydrophobicContact CD2-CG1 4.36Å; L213-C308 HydrophobicContact CD2-CB 4.31Å; L213-D312 HydrophobicContact CD1-CB 3.71Å; L213-L358 WeakPolarHBondContact O-CA 3.35Å; L213-I359 HydrophobicContact CB-CB 4.39Å; L213-I359 PolarHBondContact N-O 3.09Å; L213-I359 PolarHBondContact O-N 3.15Å
214N90.2Very high91.2Very high83 Ų8351.5 Ų51.544%0.44426%0.261SS..SBendtrans-80.973.4172.4-167.6-7.8000110.8L195 L358L195-N214 HydrophobicContact CD2-CB 4.17Å; N214-L358 HydrophobicContact CB-CD2 3.71Å
215C90.4Very high91.3Very high20 Ų2052.5 Ų52.514%0.13527%0.268CS..  trans-147.5153.4176.2-71.40000109.1L213 V305 I359L213-C215 HydrophobicContact CD2-CB 3.72Å; L213-C215 HydrophobicContact CG-CB 3.91Å; L213-C215 PolarHBondContact O-N 2.98Å; C215-V305 HydrophobicContact CB-CG1 3.5Å; C215-V305 VanDerWaalsContact CB-CG1 3.5Å; C215-I359 WeakPolarHBondContact O-CD1 3.23Å; C215-I359 VanDerWaalsContact O-CG1 3.32Å; C215-I359 WeakPolarHBondContact O-CG1 3.19Å
216T91.7Very high91.3Very high73 Ų7352.7 Ų52.745%0.44827%0.268SS..  trans-107.3157.1175.559.10000111.2E357T216-E357 HydrophobicContact CG2-CB 3.82Å
217A92.5Very high91.3Very high13 Ų1357.8 Ų57.811%0.10729%0.289CS..BIsolated β-bridgetrans-59.1143170.900000110.5S219 M222 M303A217-S219 PolarHBondContact O-N 3.41Å; A217-M222 HydrophobicContact CB-CB 4.43Å; A217-M303 HydrophobicContact CB-CG 4.5Å
218A92.3Very high91.2Very high12 Ų1263.8 Ų63.810%0.09931%0.313CS..SBendtrans-61.9-32.5-174.700000112.8M222 I289 M294 A304A218-M222 HydrophobicContact CB-CE 4.15Å; A218-M222 HydrophobicContact CB-SD 4.27Å; A218-I289 HydrophobicContact CB-CD1 4.39Å; A218-M294 HydrophobicContact CB-CE 4.02Å; A218-M294 HydrophobicContact CB-CG 4.23Å; A218-M294 HydrophobicContact CB-SD 3.88Å; A218-A304 VanDerWaalsContact CB-O 3.3Å; A218-A304 WeakPolarHBondContact CB-O 3.44Å; A218-A304 PolarHBondContact N-O 3.2Å
219S91.4Very high91.2Very high27 Ų2763.3 Ų63.319%0.18931%0.311CS..SBendtrans-132.2143.4174.6174.50000110.9A217 Q221 M222A217-S219 PolarHBondContact O-N 3.41Å; S219-Q221 PolarHBondContact O-N 3.35Å; S219-Q221 PolarHBondContact OG-N 3.2Å; S219-M222 WeakPolarHBondContact O-CB 3.13Å; S219-M222 PolarHBondContact O-N 2.95Å
220Q90.4Very high91.6Very high188 Ų18861.8 Ų61.888%0.87930%0.298SS*.THydrogen-bonded Turntrans-66.3-17.5175.6-65.6-178.9-4.200113.5M222Q220-M222 VanDerWaalsContact C-N 3.28Å
221Q91.4Very high91.9Very high149 Ų14961.8 Ų61.870%0.69630%0.298SS*.THydrogen-bonded Turntrans-79.7-9.7176.9-65.6-179.7-27.900113S219 V298S219-Q221 PolarHBondContact O-N 3.35Å; S219-Q221 PolarHBondContact OG-N 3.2Å; Q221-V298 HydrophobicContact CB-CG1 3.82Å; Q221-V298 HydrophobicContact CB-CG2 4.05Å
222M92.5Very high92.2Very high7 Ų761.7 Ų61.73%0.03430%0.298CS..SBendtrans-73.2150176.5-66.8175.5-179.200110.7A217 A218 S219 Q220 R224 M294 F297 V298 A304A217-M222 HydrophobicContact CB-CB 4.43Å; A218-M222 HydrophobicContact CB-CE 4.15Å; A218-M222 HydrophobicContact CB-SD 4.27Å; S219-M222 WeakPolarHBondContact O-CB 3.13Å; S219-M222 PolarHBondContact O-N 2.95Å; Q220-M222 VanDerWaalsContact C-N 3.28Å; M222-R224 PolarHBondContact O-N 3.38Å; M222-M294 HydrophobicContact CE-CB 4.1Å; M222-M294 HydrophobicContact CE-CG 4.46Å; M222-F297 HydrophobicContact CE-CB 3.77Å; M222-V298 HydrophobicContact CE-CG2 4.15Å; M222-V298 HydrophobicContact CG-CG2 3.91Å; M222-A304 HydrophobicContact CE-CB 3.88Å; M222-A304 HydrophobicContact SD-CB 4Å; M222-A304 PolarHBondContact SD-N 3.29Å
223P92.4Very high92.3Very high33 Ų3361.7 Ų61.721%0.21430%0.298CS..  trans-64.3136.1177.127.6-35.3000110.5I226 N301 M303P223-I226 HydrophobicContact CB-CG1 4.45Å; P223-I226 HydrophobicContact CG-CD1 4.03Å; P223-I226 HydrophobicContact CG-CG1 4.05Å; P223-N301 WeakPolarHBondContact CG-O 3.37Å; P223-M303 WeakPolarHBondContact O-CE 3.5Å
224R91.6Very high92.4Very high148 Ų14861.6 Ų61.656%0.55830%0.297SS*.SBendtrans-78.6-22177.3-65.6-177.3-179.8-168.2-5.4113.3M222 M303 S349 Q350M222-R224 PolarHBondContact O-N 3.38Å; R224-M303 WeakPolarHBondContact O-CE 3.27Å; R224-S349 CarbonylContact O-C 3.54Å; R224-S349 WeakPolarHBondContact O-CA 3.31Å; R224-Q350 HydrophobicContact CB-CB 4.35Å; R224-Q350 PolarHBondContact O-N 3.28Å
225I93.8Very high92.6Very high98 Ų9859.1 Ų59.150%0.50328%0.284SS..EExtended strand (participates in β ladder)trans-132.6125.6-176.7-58.7173.7000108.4E347I225-E347 HydrophobicContact CG2-CG 4.22Å; I225-E347 VanDerWaalsContact CG2-OE1 3.28Å; I225-E347 WeakPolarHBondContact CG2-OE1 3.27Å
226I93Very high92.7Very high13 Ų1359.9 Ų59.97%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-124.3115.3175.2-64.6178000108.7P223 A229 N281 V282 M303 E347 V348P223-I226 HydrophobicContact CB-CG1 4.45Å; P223-I226 HydrophobicContact CG-CD1 4.03Å; P223-I226 HydrophobicContact CG-CG1 4.05Å; I226-A229 HydrophobicContact CG2-CB 4.18Å; I226-N281 VanDerWaalsContact CD1-O 3.31Å; I226-N281 WeakPolarHBondContact CD1-O 3.41Å; I226-N281 HydrophobicContact CG2-CB 4.04Å; I226-V282 HydrophobicContact CB-CG2 4.36Å; I226-V282 HydrophobicContact CD1-CG2 3.8Å; I226-V282 HydrophobicContact CG2-CG2 4.26Å; I226-M303 HydrophobicContact CD1-CB 3.38Å; I226-M303 HydrophobicContact CG1-CB 4.5Å; I226-E347 WeakPolarHBondContact O-CA 3.3Å; I226-V348 PolarHBondContact N-O 2.94Å; I226-V348 PolarHBondContact O-N 3.18Å
227K91.4Very high92.7Very high158 Ų15859 Ų5969%0.68728%0.282SS*.EExtended strand (participates in β ladder)trans-84.9144.4171.8-63.3-175.6178.2-176.20110.1
228K90.6Very high92.6Very high179 Ų17958.4 Ų58.478%0.77828%0.277SS*.EExtended strand (participates in β ladder)trans52.359.4-175.2-61.7-179.9179.1178.20111.5K230 A345 E346K228-K230 PolarHBondContact O-N 3.04Å; K228-A345 CarbonylContact C-O 3.08Å; K228-E346 PolarHBondContact N-O 3.34Å
229A91.2Very high92.5Very high1 Ų161.4 Ų61.41%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-69.8124.7-17600000111.8I226 I231 V282 A345 V348I226-A229 HydrophobicContact CG2-CB 4.18Å; A229-I231 HydrophobicContact CB-CD1 4.49Å; A229-I231 HydrophobicContact CB-CG1 4.12Å; A229-V282 HydrophobicContact CB-CG2 3.85Å; A229-A345 HydrophobicContact CB-CB 4.45Å; A229-A345 PolarHBondContact N-O 3.18Å; A229-A345 PolarHBondContact O-N 3.38Å; A229-V348 HydrophobicContact CB-CB 4.18Å; A229-V348 HydrophobicContact CB-CG2 3.55Å
230K94.3Very high92.2Very high92 Ų9265 Ų6540%0.430%0.301SS..EExtended strand (participates in β ladder)trans-98.4115.2163.1-72.4177.7174.9-175.30108.4K228 G279 N281 V282 L342 G343K228-K230 PolarHBondContact O-N 3.04Å; K230-G279 WeakPolarHBondContact CB-O 3.42Å; K230-G279 WeakPolarHBondContact CD-O 3.32Å; K230-N281 PolarHBondContact O-N 3.47Å; K230-V282 PolarHBondContact O-N 3.17Å; K230-L342 HydrophobicContact CB-CD1 4.36Å; K230-G343 CarbonylContact C-O 3.5Å; K230-G343 WeakPolarHBondContact CA-O 3.47Å
231I94.6Very high91.8Very high0 Ų058.2 Ų58.20%027%0.273CS..EExtended strand (participates in β ladder)trans-108.5123.6-165.8-53.9163000110A229 F233 V282 L284 T320 L342 G343 A345 V348 L361A229-I231 HydrophobicContact CB-CD1 4.49Å; A229-I231 HydrophobicContact CB-CG1 4.12Å; I231-F233 HydrophobicContact CB-CE2 4.09Å; I231-F233 HydrophobicContact CB-CZ 4.03Å; I231-F233 HydrophobicContact CG2-CD1 4.25Å; I231-F233 HydrophobicContact CG2-CD2 4.34Å; I231-F233 HydrophobicContact CG2-CE1 3.71Å; I231-F233 HydrophobicContact CG2-CE2 3.8Å; I231-F233 HydrophobicContact CG2-CZ 3.46Å; I231-F233 VanDerWaalsContact CG2-CZ 3.46Å; I231-V282 CarbonylContact C-O 3.4Å; I231-V282 WeakPolarHBondContact CA-O 3.46Å; I231-V282 HydrophobicContact CB-CB 4.45Å; I231-V282 HydrophobicContact CG1-CB 3.99Å; I231-V282 HydrophobicContact CG1-CG1 4.33Å; I231-V282 HydrophobicContact CG2-CB 4.4Å; I231-V282 HydrophobicContact CG2-CG1 4.2Å; I231-L284 HydrophobicContact CG2-CD1 3.92Å; I231-L284 HydrophobicContact CG2-CG 4.1Å; I231-T320 HydrophobicContact CD1-CG2 3.91Å; I231-L342 WeakPolarHBondContact O-CA 3.32Å; I231-G343 PolarHBondContact N-O 3.11Å; I231-G343 PolarHBondContact O-N 3.37Å; I231-A345 HydrophobicContact CD1-CB 3.86Å; I231-V348 HydrophobicContact CD1-CG2 4.13Å; I231-L361 HydrophobicContact CD1-CD1 3.34Å; I231-L361 HydrophobicContact CD1-CG 4.33Å
232A95.3Very high91.4Very high0 Ų060.1 Ų60.10%028%0.278CS..EExtended strand (participates in β ladder)trans-96.5126170.100000110.2I275 A280 V282 L284 F337 L342A232-I275 HydrophobicContact CB-CG2 4.08Å; A232-A280 HydrophobicContact CB-CB 3.91Å; A232-V282 PolarHBondContact N-O 3.41Å; A232-L284 PolarHBondContact O-N 3.5Å; A232-F337 HydrophobicContact CB-CE2 4.35Å; A232-F337 HydrophobicContact CB-CZ 3.83Å; A232-L342 HydrophobicContact CB-CD2 3.81Å
233F95.4Very high90.9Very high0 Ų065.3 Ų65.30%030%0.304CS..EExtended strand (participates in β ladder)trans-105.2112.8176.6-58.3-82.5000109.8I231 L284 L313 M316 A317 T320 L324 I325I231-F233 HydrophobicContact CB-CE2 4.09Å; I231-F233 HydrophobicContact CB-CZ 4.03Å; I231-F233 HydrophobicContact CG2-CD1 4.25Å; I231-F233 HydrophobicContact CG2-CD2 4.34Å; I231-F233 HydrophobicContact CG2-CE1 3.71Å; I231-F233 HydrophobicContact CG2-CE2 3.8Å; I231-F233 HydrophobicContact CG2-CZ 3.46Å; I231-F233 VanDerWaalsContact CG2-CZ 3.46Å; F233-L284 HydrophobicContact CD1-CB 4.47Å; F233-L284 HydrophobicContact CD1-CD1 4.12Å; F233-L284 HydrophobicContact CE1-CD1 3.76Å; F233-L313 HydrophobicContact CD1-CB 4.25Å; F233-L313 HydrophobicContact CD1-CD2 4.25Å; F233-M316 HydrophobicContact CE1-CB 3.49Å; F233-M316 VanDerWaalsContact CE1-CB 3.49Å; F233-M316 HydrophobicContact CZ-CB 3.88Å; F233-A317 HydrophobicContact CD1-CB 4.3Å; F233-A317 HydrophobicContact CD2-CB 3.76Å; F233-A317 HydrophobicContact CE1-CB 4.43Å; F233-A317 HydrophobicContact CE2-CB 3.93Å; F233-A317 HydrophobicContact CG-CB 3.97Å; F233-A317 HydrophobicContact CZ-CB 4.26Å; F233-T320 WeakPolarHBondContact CE2-OG1 3.29Å; F233-T320 HydrophobicContact CZ-CG2 4.49Å; F233-T320 WeakPolarHBondContact CZ-OG1 3.48Å; F233-L324 HydrophobicContact CB-CD1 3.97Å; F233-I325 PolarHBondContact O-N 3.07Å
234L94.7Very high90.5Very high0 Ų072.1 Ų72.10%033%0.33CS..EExtended strand (participates in β ladder)trans-115.4134.3-174.3-51.1178.6000111.2F236 L238 I275 I283 L284 T285 T286 I325 F337L234-F236 HydrophobicContact CB-CD1 4.35Å; L234-F236 HydrophobicContact CB-CE1 4.08Å; L234-F236 HydrophobicContact CB-CZ 4.36Å; L234-F236 HydrophobicContact CD1-CZ 4.16Å; L234-F236 HydrophobicContact CD2-CE1 3.87Å; L234-F236 HydrophobicContact CD2-CZ 3.93Å; L234-F236 HydrophobicContact CG-CE1 4.41Å; L234-F236 HydrophobicContact CG-CZ 4.38Å; L234-L238 HydrophobicContact CD1-CD1 4.17Å; L234-I275 HydrophobicContact CD1-CD1 3.8Å; L234-I275 HydrophobicContact CD2-CD1 4.39Å; L234-I283 HydrophobicContact CD1-CG2 3.63Å; L234-I283 HydrophobicContact CG-CG2 4.34Å; L234-L284 PolarHBondContact N-O 3.09Å; L234-T285 WeakPolarHBondContact O-CA 3.49Å; L234-T286 PolarHBondContact O-N 3.45Å; L234-I325 HydrophobicContact CD2-CB 4.41Å; L234-F337 HydrophobicContact CD2-CE2 3.94Å
235D94.3Very high90.2Very high30 Ų3074.1 Ų74.116%0.1635%0.351CS..SBendtrans-107.934.7174.3-162.330.3000112.7T286 K310 L324 I325 V326D235-T286 VanDerWaalsContact CA-OG1 3.31Å; D235-T286 WeakPolarHBondContact CA-OG1 3.25Å; D235-T286 WeakPolarHBondContact OD1-CB 3.49Å; D235-T286 VanDerWaalsContact OD1-CG2 3.27Å; D235-T286 WeakPolarHBondContact OD1-CG2 3.31Å; D235-T286 PolarHBondContact OD1-OG1 2.92Å; D235-K310 IonicContact OD1-NZ 3.73Å; D235-K310 WeakPolarHBondContact OD2-CE 3.45Å; D235-K310 IonicContact OD2-NZ 3.71Å; D235-K310 PolarHBondContact OD2-NZ 3.01Å; D235-L324 HydrophobicContact CB-CD1 4.04Å; D235-L324 HydrophobicContact CB-CD2 4.2Å; D235-L324 HydrophobicContact CB-CG 4.05Å; D235-I325 PolarHBondContact N-O 3.19Å; D235-V326 HydrophobicContact CB-CG2 4.48Å
236F91.4Very high89.9Confident37 Ų3773.3 Ų73.316%0.16237%0.367CS..SBendtrans-147.4156.2176.461.7-91000110.7L234 L238 T285 I325 L328L234-F236 HydrophobicContact CB-CD1 4.35Å; L234-F236 HydrophobicContact CB-CE1 4.08Å; L234-F236 HydrophobicContact CB-CZ 4.36Å; L234-F236 HydrophobicContact CD1-CZ 4.16Å; L234-F236 HydrophobicContact CD2-CE1 3.87Å; L234-F236 HydrophobicContact CD2-CZ 3.93Å; L234-F236 HydrophobicContact CG-CE1 4.41Å; L234-F236 HydrophobicContact CG-CZ 4.38Å; F236-L238 HydrophobicContact CD2-CD2 4.33Å; F236-L238 HydrophobicContact CE2-CD2 3.72Å; F236-T285 PolarHBondContact O-OG1 3.48Å; F236-I325 HydrophobicContact CE1-CG2 4.29Å; F236-L328 HydrophobicContact CE1-CD2 4.36Å; F236-L328 HydrophobicContact CE1-CG 4.14Å; F236-L328 HydrophobicContact CE2-CD1 4.31Å; F236-L328 HydrophobicContact CE2-CG 4.45Å; F236-L328 HydrophobicContact CZ-CD1 3.9Å; F236-L328 HydrophobicContact CZ-CD2 3.95Å; F236-L328 HydrophobicContact CZ-CG 3.66Å
237S92.1Very high89.6Confident54 Ų5476.6 Ų76.638%0.37839%0.387SS..  trans-81.7146.1-17863.30000112.7G288S237-G288 CarbonylContact C-O 3.56Å; S237-G288 WeakPolarHBondContact CA-O 3.37Å; S237-G288 WeakPolarHBondContact CB-O 3.5Å
238L91.4Very high89.3Confident1 Ų177.4 Ų77.41%0.00539%0.394CS..BIsolated β-bridgetrans-10373.4173.5-63.2177.5000108.8L234 F236 I272 I275 G288 I289 D290 F297L234-L238 HydrophobicContact CD1-CD1 4.17Å; F236-L238 HydrophobicContact CD2-CD2 4.33Å; F236-L238 HydrophobicContact CE2-CD2 3.72Å; L238-I272 HydrophobicContact CD1-CG1 4.31Å; L238-I272 HydrophobicContact CD2-CG1 4.24Å; L238-I275 HydrophobicContact CD2-CD1 4.49Å; L238-G288 PolarHBondContact N-O 3.41Å; L238-I289 HydrophobicContact CB-CG1 4.31Å; L238-I289 HydrophobicContact CB-CG2 4.4Å; L238-I289 HydrophobicContact CD1-CG1 4.47Å; L238-I289 WeakPolarHBondContact O-CA 3.41Å; L238-D290 PolarHBondContact O-N 2.95Å; L238-F297 HydrophobicContact CD1-CE2 3.87Å; L238-F297 HydrophobicContact CD1-CZ 3.65Å
239Q89.4Confident88.9Confident74 Ų7472.4 Ų72.435%0.34638%0.378SS..SBendtrans-125.7167.1-177.7-58.4-170.1-65.500110.1V241 T268 D290Q239-V241 PolarHBondContact O-N 3.04Å; Q239-T268 WeakPolarHBondContact O-CG2 3.45Å; Q239-T268 PolarHBondContact O-OG1 3.4Å; Q239-D290 VanDerWaalsContact CA-OD2 3.29Å; Q239-D290 WeakPolarHBondContact CA-OD2 3.44Å; Q239-D290 WeakPolarHBondContact CB-OD2 3.5Å; Q239-D290 WeakPolarHBondContact CG-OD1 3.46Å; Q239-D290 PolarHBondContact NE2-OD1 3.39Å
240K84.9Confident88.7Confident104 Ų10478.1 Ų78.145%0.45241%0.412SS..PPolyproline II helixtrans-56.3123.8169.9-67.1-178.1-178.3-178.50109.1K242 D290K240-K242 PolarHBondContact O-N 3.1Å; K240-K242 VanDerWaalsContact O-N 3.16Å; K240-D290 PolarHBondContact N-OD2 2.9Å
241V83Confident88.3Confident45 Ų4575.7 Ų75.727%0.27341%0.405SS..PPolyproline II helixtrans-67.9116.7-175.3179.80000108.8Q239 I267Q239-V241 PolarHBondContact O-N 3.04Å; V241-I267 HydrophobicContact CG2-CB 4.44Å; V241-I267 HydrophobicContact CG2-CG2 3.9Å
242K82.1Confident88Confident189 Ų18985.4 Ų85.482%0.82245%0.447SS*.PPolyproline II helixtrans-87138167.1-66-175.4-179.8-179.20109K240K240-K242 PolarHBondContact O-N 3.1Å; K240-K242 VanDerWaalsContact O-N 3.16Å
243M82.3Confident87.8Confident115 Ų11589.1 Ų89.157%0.56747%0.467SS*.PPolyproline II helixtrans-60.1149.2170.8-67.9-64.3-150.900110.8V247 V249M243-V247 HydrophobicContact CB-CB 4.04Å; M243-V247 HydrophobicContact CB-CG1 4.12Å; M243-V247 HydrophobicContact CE-CG1 4.49Å; M243-V247 HydrophobicContact CG-CG1 4.21Å; M243-V247 HydrophobicContact SD-CG1 4.31Å; M243-V249 HydrophobicContact CE-CG2 4.43Å; M243-V249 HydrophobicContact CG-CG2 4.28Å
244K84Confident87.4Confident177 Ų17793.9 Ų93.977%0.7750%0.498SS*.PPolyproline II helixtrans-63.5150.3178.9-68.1-176.1179.3178.90110.8G246 V247K244-G246 PolarHBondContact O-N 2.95Å; K244-V247 PolarHBondContact O-N 3.38Å
245L84.6Confident87.1Confident189 Ų18997.2 Ų97.299%0.9953%0.525SS*.THydrogen-bonded Turntrans-53.2123.2169.3-70.9167000109.1
246G87.4Confident86.8Confident81 Ų81100.7 Ų100.784%0.83554%0.541SS*.THydrogen-bonded Turntrans109.3-13.1-175.100000114.8K244K244-G246 PolarHBondContact O-N 2.95Å
247V87.8Confident86.5Confident83 Ų83103.3 Ų103.350%0.50356%0.556SS.*  trans-95.7110.3173.4-178.80000109.2M243 K244M243-V247 HydrophobicContact CB-CB 4.04Å; M243-V247 HydrophobicContact CB-CG1 4.12Å; M243-V247 HydrophobicContact CE-CG1 4.49Å; M243-V247 HydrophobicContact CG-CG1 4.21Å; M243-V247 HydrophobicContact SD-CG1 4.31Å; K244-V247 PolarHBondContact O-N 3.38Å
248Q83.9Confident86.2Confident175 Ų175107 Ų10782%0.81857%0.567SS**  trans-99.4121171.1-68.7-176.2-6.700109.5V250Q248-V250 PolarHBondContact O-N 3.33Å
249V82.8Confident86.1Confident74 Ų74109.8 Ų109.845%0.44859%0.59SS.*  trans-85.9100.6176.1-175.60000108.3M243 V251 I260M243-V249 HydrophobicContact CE-CG2 4.43Å; M243-V249 HydrophobicContact CG-CG2 4.28Å; V249-V251 HydrophobicContact CG1-CG2 3.81Å; V249-I260 HydrophobicContact CG1-CD1 4.02Å
250V86.8Confident85.9Confident120 Ų120108.8 Ų108.873%0.72759%0.587SS**  trans-93.4111176-1780000108.9Q248Q248-V250 PolarHBondContact O-N 3.33Å
251V86.1Confident85.9Confident42 Ų42112.8 Ų112.826%0.25560%0.599SS.*  trans-104.6123.8-178.8-171.90000109.9V249 D253 Q256 L257 I260V249-V251 HydrophobicContact CG1-CG2 3.81Å; V251-D253 WeakPolarHBondContact CG1-O 3.49Å; V251-Q256 HydrophobicContact CG1-CB 3.92Å; V251-L257 HydrophobicContact CB-CD2 3.96Å; V251-L257 HydrophobicContact CB-CG 4.33Å; V251-L257 HydrophobicContact CG1-CD2 4.16Å; V251-L257 HydrophobicContact CG1-CG 4.02Å; V251-L257 HydrophobicContact CG2-CD2 3.73Å; V251-L257 HydrophobicContact CG2-CG 4.48Å; V251-I260 HydrophobicContact CG2-CD1 3.58Å
252K89.1Confident86.1Confident204 Ų204115.6 Ų115.689%0.88761%0.609SS**SBendtrans-91.1-25.8177.4-65.8-176.2-179.1179.80113.2
253D89.8Confident86.4Confident78 Ų78112 Ų11242%0.41759%0.591SS.*SBendtrans-115.9118.3-177.3178.310.4000110.6V251 A255 Q256V251-D253 WeakPolarHBondContact CG1-O 3.49Å; D253-A255 PolarHBondContact O-N 2.85Å; D253-A255 VanDerWaalsContact O-N 3.13Å; D253-A255 PolarHBondContact OD1-N 3.3Å; D253-Q256 HydrophobicContact CB-CG 4.11Å; D253-Q256 WeakPolarHBondContact O-CB 3.46Å; D253-Q256 PolarHBondContact O-N 3.13Å
254P87.6Confident86.6Confident99 Ų99109.7 Ų109.764%0.64358%0.578SS**Hα-helixtrans-53.4-31.1178.8-27.134.9000114.8Q256 L257P254-Q256 PolarHBondContact O-N 2.88Å; P254-L257 WeakPolarHBondContact O-CB 3.37Å; P254-L257 PolarHBondContact O-N 2.97Å
255A87.7Confident86.7Confident70 Ų70102 Ų10258%0.57955%0.548SS*.Hα-helixtrans-65.5-28.7179.900000112.8D253 L257D253-A255 PolarHBondContact O-N 2.85Å; D253-A255 VanDerWaalsContact O-N 3.13Å; D253-A255 PolarHBondContact OD1-N 3.3Å; A255-L257 VanDerWaalsContact C-N 3.28Å; A255-L257 PolarHBondContact O-N 2.91Å
256Q87.7Confident86.9Confident104 Ų10495.7 Ų95.749%0.48652%0.515SS..Hα-helixtrans-72.6-21.8178.9-64.6-178.4-600112.6V251 D253 P254 E258 A259 I260V251-Q256 HydrophobicContact CG1-CB 3.92Å; D253-Q256 HydrophobicContact CB-CG 4.11Å; D253-Q256 WeakPolarHBondContact O-CB 3.46Å; D253-Q256 PolarHBondContact O-N 3.13Å; P254-Q256 PolarHBondContact O-N 2.88Å; Q256-E258 VanDerWaalsContact C-N 3.28Å; Q256-E258 PolarHBondContact O-N 3.24Å; Q256-A259 PolarHBondContact O-N 3.5Å; Q256-I260 HydrophobicContact CB-CD1 4.41Å; Q256-I260 WeakPolarHBondContact O-CB 3.41Å; Q256-I260 WeakPolarHBondContact O-CD1 3.27Å; Q256-I260 WeakPolarHBondContact O-CG1 3.08Å; Q256-I260 PolarHBondContact O-N 3.47Å
257L85.5Confident86.9Confident92 Ų9294 Ų9448%0.48249%0.487SS..Hα-helixtrans-60.1-40.3178.6-72.6167.9000111.7V251 P254 A255 R261V251-L257 HydrophobicContact CB-CD2 3.96Å; V251-L257 HydrophobicContact CB-CG 4.33Å; V251-L257 HydrophobicContact CG1-CD2 4.16Å; V251-L257 HydrophobicContact CG1-CG 4.02Å; V251-L257 HydrophobicContact CG2-CD2 3.73Å; V251-L257 HydrophobicContact CG2-CG 4.48Å; P254-L257 WeakPolarHBondContact O-CB 3.37Å; P254-L257 PolarHBondContact O-N 2.97Å; A255-L257 VanDerWaalsContact C-N 3.28Å; A255-L257 PolarHBondContact O-N 2.91Å; L257-R261 VanDerWaalsContact O-CG 3.31Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 3.38Å; L257-R261 VanDerWaalsContact O-N 3.08Å
258E86.9Confident87Confident131 Ų13190.2 Ų90.261%0.61246%0.464SS*.Hα-helixtrans-69.1-44.6179.8-170170.9-174.800111.3Q256 I260 R261 Q262Q256-E258 VanDerWaalsContact C-N 3.28Å; Q256-E258 PolarHBondContact O-N 3.24Å; E258-I260 VanDerWaalsContact C-N 3.33Å; E258-I260 PolarHBondContact O-N 2.84Å; E258-R261 PolarHBondContact O-N 3.14Å; E258-Q262 WeakPolarHBondContact O-CB 3.27Å; E258-Q262 WeakPolarHBondContact O-CG 3.42Å; E258-Q262 PolarHBondContact O-N 2.93Å; E258-Q262 PolarHBondContact OE1-NE2 3.1Å
259A87.9Confident87.3Confident59 Ų5985.1 Ų85.149%0.48844%0.439SS..Hα-helixtrans-61.1-40.2176.200000112.4Q256 Q262 R263Q256-A259 PolarHBondContact O-N 3.5Å; A259-Q262 PolarHBondContact O-N 3.39Å; A259-R263 WeakPolarHBondContact O-CB 3.46Å; A259-R263 PolarHBondContact O-N 3.48Å
260I86.5Confident87.7Confident53 Ų5384.8 Ų84.827%0.27243%0.433SS..Hα-helixtrans-63.6-47.3176.5-68.6162.5000110.4V249 V251 Q256 E258 Q262 R263 E264V249-I260 HydrophobicContact CG1-CD1 4.02Å; V251-I260 HydrophobicContact CG2-CD1 3.58Å; Q256-I260 HydrophobicContact CB-CD1 4.41Å; Q256-I260 WeakPolarHBondContact O-CB 3.41Å; Q256-I260 WeakPolarHBondContact O-CD1 3.27Å; Q256-I260 WeakPolarHBondContact O-CG1 3.08Å; Q256-I260 PolarHBondContact O-N 3.47Å; E258-I260 VanDerWaalsContact C-N 3.33Å; E258-I260 PolarHBondContact O-N 2.84Å; I260-Q262 VanDerWaalsContact C-N 3.32Å; I260-Q262 PolarHBondContact O-N 2.89Å; I260-R263 PolarHBondContact O-N 3.16Å; I260-E264 WeakPolarHBondContact O-CG 3.22Å; I260-E264 PolarHBondContact O-N 3.49Å
261R85.3Confident87.8Confident188 Ų18882.4 Ų82.471%0.70941%0.41SS*.Hα-helixtrans-63.4-37.1178.2-73.2-178.371.1159.13.4112.7L257 E258L257-R261 VanDerWaalsContact O-CG 3.31Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 3.38Å; L257-R261 VanDerWaalsContact O-N 3.08Å; E258-R261 PolarHBondContact O-N 3.14Å
262Q87.3Confident88.1Confident104 Ų10480.4 Ų80.449%0.48640%0.398SS..Hα-helixtrans-67-44.2173.9-72.6177.85.300110.6E258 A259 I260 E264 A265 D266E258-Q262 WeakPolarHBondContact O-CB 3.27Å; E258-Q262 WeakPolarHBondContact O-CG 3.42Å; E258-Q262 PolarHBondContact O-N 2.93Å; E258-Q262 PolarHBondContact OE1-NE2 3.1Å; A259-Q262 PolarHBondContact O-N 3.39Å; I260-Q262 VanDerWaalsContact C-N 3.32Å; I260-Q262 PolarHBondContact O-N 2.89Å; Q262-E264 VanDerWaalsContact C-N 3.31Å; Q262-E264 PolarHBondContact O-N 3.43Å; Q262-A265 WeakPolarHBondContact O-CB 3.41Å; Q262-A265 PolarHBondContact O-N 3.43Å; Q262-D266 PolarHBondContact O-N 2.92Å
263R87.8Confident88.2Confident114 Ų11474.7 Ų74.743%0.4338%0.375SS..Hα-helixtrans-60.4-38.2178.6-169.667.6-166.4148.97112.8A259 I260 A265 D266 I267 E270A259-R263 WeakPolarHBondContact O-CB 3.46Å; A259-R263 PolarHBondContact O-N 3.48Å; I260-R263 PolarHBondContact O-N 3.16Å; R263-A265 PolarHBondContact O-N 3.3Å; R263-D266 PolarHBondContact O-N 3.38Å; R263-I267 HydrophobicContact CG-CD1 4.23Å; R263-I267 HydrophobicContact CG-CG1 4.41Å; R263-I267 WeakPolarHBondContact O-CD1 3.47Å; R263-I267 VanDerWaalsContact O-CG1 3.24Å; R263-I267 WeakPolarHBondContact O-CG1 3.41Å; R263-I267 PolarHBondContact O-N 2.99Å; R263-E270 IonicContact CZ-OE1 3.47Å; R263-E270 IonicContact CZ-OE2 3.86Å; R263-E270 IonicContact NH1-OE1 2.72Å; R263-E270 PolarHBondContact NH1-OE1 3.44Å; R263-E270 IonicContact NH1-OE2 3.81Å; R263-E270 IonicContact NH2-OE1 3.29Å; R263-E270 PolarHBondContact NH2-OE1 3.3Å; R263-E270 IonicContact NH2-OE2 3.05Å; R263-E270 PolarHBondContact NH2-OE2 2.92Å
264E85.3Confident88.3Confident66 Ų6674 Ų7431%0.30837%0.368SS..Hα-helixtrans-57.2-36.4174-73.4178.716900112.8I260 Q262I260-E264 WeakPolarHBondContact O-CG 3.22Å; I260-E264 PolarHBondContact O-N 3.49Å; Q262-E264 VanDerWaalsContact C-N 3.31Å; Q262-E264 PolarHBondContact O-N 3.43Å
265A86.2Confident88.5Confident17 Ų1769.3 Ų69.314%0.1434%0.337CS..Hα-helixtrans-81-38.6176.200000112.1Q262 R263 I267 T268 K269 L292Q262-A265 WeakPolarHBondContact O-CB 3.41Å; Q262-A265 PolarHBondContact O-N 3.43Å; R263-A265 PolarHBondContact O-N 3.3Å; A265-I267 VanDerWaalsContact C-N 3.34Å; A265-I267 PolarHBondContact O-N 3.06Å; A265-T268 PolarHBondContact O-N 2.92Å; A265-K269 PolarHBondContact O-N 3.37Å; A265-L292 HydrophobicContact CB-CD2 4.3Å
266D89.1Confident88.7Confident56 Ų5667.1 Ų67.130%0.29932%0.316SS..Hα-helixtrans-64.3-36.8-179.9-70.7-30.3000112.2Q262 R263 T268 K269 E270Q262-D266 PolarHBondContact O-N 2.92Å; R263-D266 PolarHBondContact O-N 3.38Å; D266-T268 VanDerWaalsContact C-N 3.3Å; D266-T268 PolarHBondContact O-N 2.91Å; D266-K269 WeakPolarHBondContact O-CB 3.45Å; D266-K269 PolarHBondContact O-N 3.37Å; D266-K269 VanDerWaalsContact O-N 3.16Å; D266-E270 WeakPolarHBondContact O-CB 2.81Å; D266-E270 WeakPolarHBondContact O-CG 3.25Å; D266-E270 PolarHBondContact O-N 3.31Å
267I88.7Confident88.9Confident45 Ų4568.8 Ų68.823%0.23133%0.328CS..Hα-helixtrans-57.2-46.5174.9-68161.3000110.4V241 R263 A265 K269 E270 R271V241-I267 HydrophobicContact CG2-CB 4.44Å; V241-I267 HydrophobicContact CG2-CG2 3.9Å; R263-I267 HydrophobicContact CG-CD1 4.23Å; R263-I267 HydrophobicContact CG-CG1 4.41Å; R263-I267 WeakPolarHBondContact O-CD1 3.47Å; R263-I267 VanDerWaalsContact O-CG1 3.24Å; R263-I267 WeakPolarHBondContact O-CG1 3.41Å; R263-I267 PolarHBondContact O-N 2.99Å; A265-I267 VanDerWaalsContact C-N 3.34Å; A265-I267 PolarHBondContact O-N 3.06Å; I267-K269 VanDerWaalsContact C-N 3.35Å; I267-E270 PolarHBondContact O-N 2.93Å; I267-R271 WeakPolarHBondContact O-CG 3.41Å; I267-R271 PolarHBondContact O-N 2.96Å
268T88.4Confident89.1Confident4 Ų465.1 Ų65.13%0.02531%0.312CS..Hα-helixtrans-68.8-36.7178.7-49.30000111.3Q239 A265 D266 R271 I272 C293Q239-T268 WeakPolarHBondContact O-CG2 3.45Å; Q239-T268 PolarHBondContact O-OG1 3.4Å; A265-T268 PolarHBondContact O-N 2.92Å; D266-T268 VanDerWaalsContact C-N 3.3Å; D266-T268 PolarHBondContact O-N 2.91Å; T268-R271 PolarHBondContact O-N 2.81Å; T268-I272 HydrophobicContact CG2-CD1 4.12Å; T268-I272 VanDerWaalsContact O-CG1 3.29Å; T268-I272 WeakPolarHBondContact O-CG1 3.25Å; T268-I272 PolarHBondContact O-N 2.99Å; T268-C293 WeakPolarHBondContact CG2-SG 3.48Å
269K90.5Very high89.2Confident67 Ų6760 Ų6029%0.29129%0.293SS..Hα-helixtrans-62.1-46.6174.9-177.5-173-178.1-173.20112.2A265 D266 I267 R271 I272 Q273 Y296A265-K269 PolarHBondContact O-N 3.37Å; D266-K269 WeakPolarHBondContact O-CB 3.45Å; D266-K269 PolarHBondContact O-N 3.37Å; D266-K269 VanDerWaalsContact O-N 3.16Å; I267-K269 VanDerWaalsContact C-N 3.35Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.39Å; K269-I272 PolarHBondContact O-N 2.94Å; K269-Q273 WeakPolarHBondContact O-CG 3.41Å; K269-Q273 PolarHBondContact O-N 2.96Å; K269-Y296 HydrophobicContact CB-CE2 3.99Å; K269-Y296 HydrophobicContact CD-CE1 4.15Å; K269-Y296 WeakPolarHBondContact CD-OH 3.44Å; K269-Y296 HydrophobicContact CG-CE1 4.02Å; K269-Y296 HydrophobicContact CG-CE2 3.87Å
270E90.7Very high89.4Confident68 Ų6857.2 Ų57.232%0.31827%0.271SS..Hα-helixtrans-58.1-43.9177-75.5170.6-171.700110.9R263 D266 I267 Q273 K274R263-E270 IonicContact CZ-OE1 3.47Å; R263-E270 IonicContact CZ-OE2 3.86Å; R263-E270 IonicContact NH1-OE1 2.72Å; R263-E270 PolarHBondContact NH1-OE1 3.44Å; R263-E270 IonicContact NH1-OE2 3.81Å; R263-E270 IonicContact NH2-OE1 3.29Å; R263-E270 PolarHBondContact NH2-OE1 3.3Å; R263-E270 IonicContact NH2-OE2 3.05Å; R263-E270 PolarHBondContact NH2-OE2 2.92Å; D266-E270 WeakPolarHBondContact O-CB 2.81Å; D266-E270 WeakPolarHBondContact O-CG 3.25Å; D266-E270 PolarHBondContact O-N 3.31Å; I267-E270 PolarHBondContact O-N 2.93Å; E270-Q273 PolarHBondContact O-N 3.49Å; E270-K274 VanDerWaalsContact O-CG 3.31Å; E270-K274 WeakPolarHBondContact O-CG 3.42Å; E270-K274 PolarHBondContact O-N 3.21Å
271R90.3Very high89.8Confident69 Ų6957.9 Ų57.926%0.2628%0.275SS..Hα-helixtrans-61.6-44.4175.7-70.8177.5174.1177.5-0.5112.8I267 T268 K269 K274 I275 L328 E335I267-R271 WeakPolarHBondContact O-CG 3.41Å; I267-R271 PolarHBondContact O-N 2.96Å; T268-R271 PolarHBondContact O-N 2.81Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.39Å; R271-K274 PolarHBondContact O-N 3.43Å; R271-I275 WeakPolarHBondContact O-CD1 3.44Å; R271-I275 WeakPolarHBondContact O-CG1 3.06Å; R271-I275 PolarHBondContact O-N 2.69Å; R271-L328 HydrophobicContact CB-CD1 3.68Å; R271-L328 HydrophobicContact CG-CD1 3.63Å; R271-E335 IonicContact CZ-OE1 2.97Å; R271-E335 VanDerWaalsContact CZ-OE1 3.27Å; R271-E335 IonicContact NE-OE1 3.56Å; R271-E335 PolarHBondContact NE-OE1 2.94Å; R271-E335 IonicContact NE-OE2 3.27Å; R271-E335 IonicContact NH2-OE1 3.16Å; R271-E335 PolarHBondContact NH2-OE1 3.24Å
272I91.4Very high90.3Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-64.2-43.6177.5-68.6164.6000110.5L238 T268 K269 K274 I275 L276 C293 Y296 F297L238-I272 HydrophobicContact CD1-CG1 4.31Å; L238-I272 HydrophobicContact CD2-CG1 4.24Å; T268-I272 HydrophobicContact CG2-CD1 4.12Å; T268-I272 VanDerWaalsContact O-CG1 3.29Å; T268-I272 WeakPolarHBondContact O-CG1 3.25Å; T268-I272 PolarHBondContact O-N 2.99Å; K269-I272 PolarHBondContact O-N 2.94Å; I272-K274 VanDerWaalsContact C-N 3.31Å; I272-K274 PolarHBondContact O-N 3.4Å; I272-I275 PolarHBondContact O-N 2.92Å; I272-L276 HydrophobicContact CG2-CD1 3.71Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 WeakPolarHBondContact O-CG 3.32Å; I272-L276 PolarHBondContact O-N 3.05Å; I272-C293 HydrophobicContact CD1-CB 3.48Å; I272-C293 VanDerWaalsContact CD1-CB 3.48Å; I272-Y296 HydrophobicContact CD1-CD2 3.99Å; I272-F297 HydrophobicContact CB-CZ 4.5Å; I272-F297 HydrophobicContact CD1-CE2 4.38Å; I272-F297 HydrophobicContact CG1-CE2 4.44Å; I272-F297 HydrophobicContact CG1-CZ 4.09Å; I272-F297 HydrophobicContact CG2-CD1 4.43Å; I272-F297 HydrophobicContact CG2-CE1 3.79Å; I272-F297 HydrophobicContact CG2-CE2 4.32Å; I272-F297 HydrophobicContact CG2-CZ 3.73Å
273Q92.1Very high90.6Very high84 Ų8444 Ų4439%0.39322%0.218SC..Hα-helixtrans-60.7-39.9177.3-74.8179-12.400111.9K269 E270 I275 L276 N277K269-Q273 WeakPolarHBondContact O-CG 3.41Å; K269-Q273 PolarHBondContact O-N 2.96Å; E270-Q273 PolarHBondContact O-N 3.49Å; Q273-I275 VanDerWaalsContact C-N 3.35Å; Q273-I275 PolarHBondContact O-N 2.74Å; Q273-L276 PolarHBondContact O-N 3.43Å; Q273-N277 WeakPolarHBondContact O-CB 3.38Å; Q273-N277 PolarHBondContact O-N 3.05Å; Q273-N277 PolarHBondContact O-ND2 2.89Å; Q273-N277 PolarHBondContact O-OD1 3.22Å
274K90.7Very high91Very high64 Ų6438.7 Ų38.728%0.27820%0.198SC..Hα-helixtrans-60.4-43174.8-70.2166.9-177.7-174.40112.3E270 R271 I272 N277 A278 E335E270-K274 VanDerWaalsContact O-CG 3.31Å; E270-K274 WeakPolarHBondContact O-CG 3.42Å; E270-K274 PolarHBondContact O-N 3.21Å; R271-K274 PolarHBondContact O-N 3.43Å; I272-K274 VanDerWaalsContact C-N 3.31Å; I272-K274 PolarHBondContact O-N 3.4Å; K274-N277 PolarHBondContact O-N 3.45Å; K274-A278 PolarHBondContact O-N 2.73Å; K274-E335 HydrophobicContact CD-CB 4.33Å; K274-E335 VanDerWaalsContact CD-O 3.26Å; K274-E335 WeakPolarHBondContact CD-O 3.37Å; K274-E335 VanDerWaalsContact CE-O 3.26Å; K274-E335 WeakPolarHBondContact CE-O 3.39Å; K274-E335 PolarHBondContact NZ-O 3.06Å; K274-E335 IonicContact NZ-OE2 3.24Å; K274-E335 PolarHBondContact NZ-OE2 2.62Å
275I92Very high91.5Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-64.7-43.9177.2-64159000110.9A232 L234 L238 R271 I272 Q273 A278 A280 I283 L328 F337A232-I275 HydrophobicContact CB-CG2 4.08Å; L234-I275 HydrophobicContact CD1-CD1 3.8Å; L234-I275 HydrophobicContact CD2-CD1 4.39Å; L238-I275 HydrophobicContact CD2-CD1 4.49Å; R271-I275 WeakPolarHBondContact O-CD1 3.44Å; R271-I275 WeakPolarHBondContact O-CG1 3.06Å; R271-I275 PolarHBondContact O-N 2.69Å; I272-I275 PolarHBondContact O-N 2.92Å; Q273-I275 VanDerWaalsContact C-N 3.35Å; Q273-I275 PolarHBondContact O-N 2.74Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 2.97Å; I275-A280 HydrophobicContact CG2-CB 3.9Å; I275-A280 WeakPolarHBondContact O-CB 3.34Å; I275-I283 HydrophobicContact CG2-CG1 4.16Å; I275-L328 HydrophobicContact CG1-CD2 4.34Å; I275-F337 HydrophobicContact CB-CD2 4.46Å; I275-F337 HydrophobicContact CG1-CD2 3.7Å; I275-F337 HydrophobicContact CG1-CE2 4.06Å; I275-F337 HydrophobicContact CG1-CG 4.34Å; I275-F337 HydrophobicContact CG2-CE2 4.47Å
276L92.1Very high91.9Very high25 Ų2536.2 Ų36.213%0.13119%0.186CC..Hα-helixtrans-68.4-39.5178.7-69.2172000112.1I272 Q273 A278 G279 I283 F297 V300 A302I272-L276 HydrophobicContact CG2-CD1 3.71Å; I272-L276 HydrophobicContact CG2-CG 4.25Å; I272-L276 WeakPolarHBondContact O-CG 3.32Å; I272-L276 PolarHBondContact O-N 3.05Å; Q273-L276 PolarHBondContact O-N 3.43Å; L276-A278 VanDerWaalsContact C-N 3.25Å; L276-A278 PolarHBondContact O-N 3.29Å; L276-G279 WeakPolarHBondContact O-CA 3.36Å; L276-G279 PolarHBondContact O-N 3.45Å; L276-I283 HydrophobicContact CD2-CD1 4.47Å; L276-F297 HydrophobicContact CD1-CD1 4.48Å; L276-F297 HydrophobicContact CD2-CD1 4Å; L276-F297 HydrophobicContact CD2-CE1 4.16Å; L276-F297 HydrophobicContact CG-CE1 4.37Å; L276-V300 HydrophobicContact CD1-CG2 4.1Å; L276-V300 HydrophobicContact CD2-CB 4.47Å; L276-V300 HydrophobicContact CD2-CG1 4.28Å; L276-A302 HydrophobicContact CD2-CB 4.11Å
277N91.9Very high92Very high138 Ų13834.3 Ų34.374%0.73818%0.179SC*.Hα-helixtrans-65-28.6177.4-71.3-13.4000112.4Q273 K274 G279Q273-N277 WeakPolarHBondContact O-CB 3.38Å; Q273-N277 PolarHBondContact O-N 3.05Å; Q273-N277 PolarHBondContact O-ND2 2.89Å; Q273-N277 PolarHBondContact O-OD1 3.22Å; K274-N277 PolarHBondContact O-N 3.45Å; N277-G279 PolarHBondContact O-N 3.47Å
278A89.6Confident92.2Very high16 Ų1632.6 Ų32.613%0.13217%0.173CC..THydrogen-bonded Turntrans-67-11.717000000113.1K274 I275 L276 F337 L342K274-A278 PolarHBondContact O-N 2.73Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 2.97Å; L276-A278 VanDerWaalsContact C-N 3.25Å; L276-A278 PolarHBondContact O-N 3.29Å; A278-F337 HydrophobicContact CB-CB 4.34Å; A278-F337 HydrophobicContact CB-CD1 3.37Å; A278-F337 HydrophobicContact CB-CE1 4.07Å; A278-F337 HydrophobicContact CB-CG 4.19Å; A278-L342 HydrophobicContact CB-CD1 4.38Å; A278-L342 WeakPolarHBondContact O-CD1 3.5Å
279G90.1Very high92.5Very high22 Ų2232.6 Ų32.623%0.22717%0.173CC..THydrogen-bonded Turntrans88.426.5178.600000113.8K230 L276 N277 N281K230-G279 WeakPolarHBondContact CB-O 3.42Å; K230-G279 WeakPolarHBondContact CD-O 3.32Å; L276-G279 WeakPolarHBondContact O-CA 3.36Å; L276-G279 PolarHBondContact O-N 3.45Å; N277-G279 PolarHBondContact O-N 3.47Å; G279-N281 PolarHBondContact O-N 3.27Å; G279-N281 PolarHBondContact O-OD1 3.43Å
280A92.4Very high92.5Very high2 Ų231.4 Ų31.42%0.01717%0.17CC..  trans-72.2122.7173.700000110.7A232 I275 L342A232-A280 HydrophobicContact CB-CB 3.91Å; I275-A280 HydrophobicContact CG2-CB 3.9Å; I275-A280 WeakPolarHBondContact O-CB 3.34Å; A280-L342 HydrophobicContact CB-CD2 3.85Å
281N93.7Very high92.5Very high66 Ų6634 Ų3435%0.35319%0.186SC..SBendtrans-100-23.7176.7-65.70.4000111.9I226 K230 G279 A302 M303I226-N281 VanDerWaalsContact CD1-O 3.31Å; I226-N281 WeakPolarHBondContact CD1-O 3.41Å; I226-N281 HydrophobicContact CG2-CB 4.04Å; K230-N281 PolarHBondContact O-N 3.47Å; G279-N281 PolarHBondContact O-N 3.27Å; G279-N281 PolarHBondContact O-OD1 3.43Å; N281-A302 CarbonylContact O-C 3.6Å; N281-A302 VanDerWaalsContact O-CA 3.3Å; N281-A302 WeakPolarHBondContact O-CA 3.43Å; N281-A302 WeakPolarHBondContact O-CB 3.45Å; N281-M303 PolarHBondContact O-N 2.95Å
282V95.1Very high92.3Very high1 Ų134.1 Ų34.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-123.4128.4176.4179.20000108.2I226 A229 K230 I231 A232 L284 M303 V348I226-V282 HydrophobicContact CB-CG2 4.36Å; I226-V282 HydrophobicContact CD1-CG2 3.8Å; I226-V282 HydrophobicContact CG2-CG2 4.26Å; A229-V282 HydrophobicContact CB-CG2 3.85Å; K230-V282 PolarHBondContact O-N 3.17Å; I231-V282 CarbonylContact C-O 3.4Å; I231-V282 WeakPolarHBondContact CA-O 3.46Å; I231-V282 HydrophobicContact CB-CB 4.45Å; I231-V282 HydrophobicContact CG1-CB 3.99Å; I231-V282 HydrophobicContact CG1-CG1 4.33Å; I231-V282 HydrophobicContact CG2-CB 4.4Å; I231-V282 HydrophobicContact CG2-CG1 4.2Å; A232-V282 PolarHBondContact N-O 3.41Å; V282-L284 HydrophobicContact CG1-CD2 4.04Å; V282-L284 HydrophobicContact CG1-CG 4.2Å; V282-M303 CarbonylContact C-O 3.52Å; V282-M303 VanDerWaalsContact CA-O 3.3Å; V282-M303 WeakPolarHBondContact CA-O 3.36Å; V282-M303 HydrophobicContact CG2-CB 4.5Å; V282-V348 HydrophobicContact CG1-CG1 4.39Å; V282-V348 HydrophobicContact CG2-CB 4.09Å; V282-V348 HydrophobicContact CG2-CG1 4.31Å; V282-V348 HydrophobicContact CG2-CG2 4.17Å
283I95.2Very high92.3Very high0 Ų034.1 Ų34.10%019%0.191CC..EExtended strand (participates in β ladder)trans-121116.3-179.5-58.887.8000108.1L234 I275 L276 F297 A302 M303 A304 V305L234-I283 HydrophobicContact CD1-CG2 3.63Å; L234-I283 HydrophobicContact CG-CG2 4.34Å; I275-I283 HydrophobicContact CG2-CG1 4.16Å; L276-I283 HydrophobicContact CD2-CD1 4.47Å; I283-F297 HydrophobicContact CB-CE1 4.37Å; I283-F297 HydrophobicContact CD1-CD1 3.6Å; I283-F297 HydrophobicContact CD1-CE1 3.52Å; I283-F297 HydrophobicContact CD1-CZ 4.5Å; I283-F297 HydrophobicContact CG1-CD1 4.29Å; I283-F297 HydrophobicContact CG1-CE1 3.71Å; I283-F297 HydrophobicContact CG1-CZ 4.33Å; I283-F297 HydrophobicContact CG2-CZ 4.44Å; I283-A302 HydrophobicContact CD1-CB 3.88Å; I283-M303 PolarHBondContact N-O 3.16Å; I283-A304 HydrophobicContact CB-CB 4.31Å; I283-A304 CarbonylContact O-C 3.57Å; I283-A304 WeakPolarHBondContact O-CA 3.48Å; I283-V305 PolarHBondContact O-N 2.86Å
284L95.6Very high92.2Very high2 Ų230.8 Ų30.81%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-111.3119.6175.6-55-179.9000108.7I231 A232 F233 L234 V282 V305 L313 M316I231-L284 HydrophobicContact CG2-CD1 3.92Å; I231-L284 HydrophobicContact CG2-CG 4.1Å; A232-L284 PolarHBondContact O-N 3.5Å; F233-L284 HydrophobicContact CD1-CB 4.47Å; F233-L284 HydrophobicContact CD1-CD1 4.12Å; F233-L284 HydrophobicContact CE1-CD1 3.76Å; L234-L284 PolarHBondContact N-O 3.09Å; V282-L284 HydrophobicContact CG1-CD2 4.04Å; V282-L284 HydrophobicContact CG1-CG 4.2Å; L284-V305 HydrophobicContact CD2-CB 3.54Å; L284-V305 HydrophobicContact CD2-CG1 4.32Å; L284-V305 HydrophobicContact CD2-CG2 3.37Å; L284-L313 HydrophobicContact CB-CD1 4.4Å; L284-L313 HydrophobicContact CB-CD2 3.57Å; L284-L313 HydrophobicContact CD1-CD2 3.86Å; L284-L313 HydrophobicContact CG-CD2 4.33Å; L284-M316 HydrophobicContact CD1-CE 3.68Å; L284-M316 HydrophobicContact CD1-SD 3.89Å
285T95.4Very high92.3Very high0 Ų033.8 Ų33.80%019%0.189CC..EExtended strand (participates in β ladder)trans-118.8142.5176.3177.70000112.3L234 F236 G287 I289 V305 R306 R307 C308L234-T285 WeakPolarHBondContact O-CA 3.49Å; F236-T285 PolarHBondContact O-OG1 3.48Å; T285-G287 VanDerWaalsContact C-N 3.27Å; T285-G287 WeakPolarHBondContact CG2-O 3.47Å; T285-G287 PolarHBondContact OG1-N 3.44Å; T285-I289 HydrophobicContact CG2-CD1 3.8Å; T285-I289 HydrophobicContact CG2-CG1 3.59Å; T285-V305 VanDerWaalsContact CG2-O 3.3Å; T285-V305 WeakPolarHBondContact CG2-O 3.43Å; T285-V305 PolarHBondContact N-O 3.4Å; T285-R306 HydrophobicContact CG2-CB 4.5Å; T285-R307 PolarHBondContact O-N 2.95Å; T285-R307 VanDerWaalsContact O-N 3.15Å; T285-C308 PolarHBondContact O-N 2.98Å; T285-C308 PolarHBondContact O-SG 3.07Å
286T95.1Very high92.3Very high32 Ų3235.9 Ų35.920%0.19620%0.197CC..SBendtrans-71.4-24.6167.263.40000112.3L234 D235 R307 C308 K310 L313L234-T286 PolarHBondContact O-N 3.45Å; D235-T286 VanDerWaalsContact CA-OG1 3.31Å; D235-T286 WeakPolarHBondContact CA-OG1 3.25Å; D235-T286 WeakPolarHBondContact OD1-CB 3.49Å; D235-T286 VanDerWaalsContact OD1-CG2 3.27Å; D235-T286 WeakPolarHBondContact OD1-CG2 3.31Å; D235-T286 PolarHBondContact OD1-OG1 2.92Å; T286-R307 WeakPolarHBondContact O-CA 3.4Å; T286-C308 WeakPolarHBondContact CA-O 3.22Å; T286-K310 HydrophobicContact CG2-CB 3.95Å; T286-K310 HydrophobicContact CG2-CG 4.31Å; T286-L313 HydrophobicContact CG2-CD1 3.53Å; T286-L313 HydrophobicContact CG2-CG 4.37Å
287G92Very high92.3Very high15 Ų1534.7 Ų34.716%0.15519%0.191CC..SBendtrans-87.5-177.3-179.500000114T285 R307T285-G287 VanDerWaalsContact C-N 3.27Å; T285-G287 WeakPolarHBondContact CG2-O 3.47Å; T285-G287 PolarHBondContact OG1-N 3.44Å; G287-R307 PolarHBondContact O-N 3.36Å
288G92.7Very high92.4Very high10 Ų1029.5 Ų29.510%0.10316%0.164CC..  trans-76.1157.9169.200000112.5S237 L238S237-G288 CarbonylContact C-O 3.56Å; S237-G288 WeakPolarHBondContact CA-O 3.37Å; S237-G288 WeakPolarHBondContact CB-O 3.5Å; L238-G288 PolarHBondContact N-O 3.41Å
289I93.5Very high92.5Very high4 Ų434.5 Ų34.52%0.02118%0.184CC..BIsolated β-bridgetrans-119.7125.1165.4-56.4177000106.6A218 L238 T285 C293 M294 F297 A304 R306A218-I289 HydrophobicContact CB-CD1 4.39Å; L238-I289 HydrophobicContact CB-CG1 4.31Å; L238-I289 HydrophobicContact CB-CG2 4.4Å; L238-I289 HydrophobicContact CD1-CG1 4.47Å; L238-I289 WeakPolarHBondContact O-CA 3.41Å; T285-I289 HydrophobicContact CG2-CD1 3.8Å; T285-I289 HydrophobicContact CG2-CG1 3.59Å; I289-C293 HydrophobicContact CG2-CB 3.94Å; I289-M294 HydrophobicContact CG2-CG 3.78Å; I289-M294 VanDerWaalsContact O-CE 3.24Å; I289-M294 WeakPolarHBondContact O-CE 3.32Å; I289-F297 HydrophobicContact CG2-CE2 4.37Å; I289-A304 HydrophobicContact CD1-CB 3.74Å; I289-R306 HydrophobicContact CB-CB 4.26Å; I289-R306 HydrophobicContact CD1-CB 4.15Å; I289-R306 HydrophobicContact CG1-CB 3.89Å
290D91.2Very high92.6Very high42 Ų4237.6 Ų37.623%0.22520%0.199CC..  trans-75.7149.5174.9-79.1-2.4000111L238 Q239 K240 L292 C293 M294L238-D290 PolarHBondContact O-N 2.95Å; Q239-D290 VanDerWaalsContact CA-OD2 3.29Å; Q239-D290 WeakPolarHBondContact CA-OD2 3.44Å; Q239-D290 WeakPolarHBondContact CB-OD2 3.5Å; Q239-D290 WeakPolarHBondContact CG-OD1 3.46Å; Q239-D290 PolarHBondContact NE2-OD1 3.39Å; K240-D290 PolarHBondContact N-OD2 2.9Å; D290-L292 PolarHBondContact O-N 3.47Å; D290-C293 WeakPolarHBondContact O-CA 3.45Å; D290-C293 VanDerWaalsContact O-CB 3.26Å; D290-C293 WeakPolarHBondContact O-CB 3.3Å; D290-C293 PolarHBondContact O-N 3.37Å; D290-M294 PolarHBondContact O-N 3.11Å; D290-M294 VanDerWaalsContact O-N 3.13Å
291D89.6Confident92.5Very high122 Ų12243.1 Ų43.165%0.65223%0.228SC*.Hα-helixtrans-58.6-35-176.2-57.2-18.8000113C293 M294D291-C293 PolarHBondContact O-N 3.35Å; D291-M294 WeakPolarHBondContact O-CB 3.42Å; D291-M294 PolarHBondContact O-N 3.47Å; D291-M294 VanDerWaalsContact OD1-CE 3.32Å; D291-M294 WeakPolarHBondContact OD1-CE 3.3Å
292L87.9Confident92.5Very high71 Ų7140 Ų4037%0.37221%0.212SC..Hα-helixtrans-61.5-34.2175.1-174.9133.9000112A265 D290 Y296A265-L292 HydrophobicContact CB-CD2 4.3Å; D290-L292 PolarHBondContact O-N 3.47Å; L292-Y296 HydrophobicContact CD2-CE2 4.22Å
293C89.7Confident92.5Very high1 Ų140 Ų401%0.00721%0.212CC..Hα-helixtrans-77.2-31.9178-62.70000111.9T268 I272 I289 D290 D291 K295 Y296 F297T268-C293 WeakPolarHBondContact CG2-SG 3.48Å; I272-C293 HydrophobicContact CD1-CB 3.48Å; I272-C293 VanDerWaalsContact CD1-CB 3.48Å; I289-C293 HydrophobicContact CG2-CB 3.94Å; D290-C293 WeakPolarHBondContact O-CA 3.45Å; D290-C293 VanDerWaalsContact O-CB 3.26Å; D290-C293 WeakPolarHBondContact O-CB 3.3Å; D290-C293 PolarHBondContact O-N 3.37Å; D291-C293 PolarHBondContact O-N 3.35Å; C293-K295 PolarHBondContact O-N 3.27Å; C293-Y296 PolarHBondContact O-N 3.3Å; C293-F297 WeakPolarHBondContact O-CD2 3.22Å
294M91.3Very high92.5Very high13 Ų1340 Ų406%0.06421%0.212CC..Hα-helixtrans-59.5-34.9178.5-61.7-174-162.900112.2A218 M222 I289 D290 D291 Y296 F297 V298A218-M294 HydrophobicContact CB-CE 4.02Å; A218-M294 HydrophobicContact CB-CG 4.23Å; A218-M294 HydrophobicContact CB-SD 3.88Å; M222-M294 HydrophobicContact CE-CB 4.1Å; M222-M294 HydrophobicContact CE-CG 4.46Å; I289-M294 HydrophobicContact CG2-CG 3.78Å; I289-M294 VanDerWaalsContact O-CE 3.24Å; I289-M294 WeakPolarHBondContact O-CE 3.32Å; D290-M294 PolarHBondContact O-N 3.11Å; D290-M294 VanDerWaalsContact O-N 3.13Å; D291-M294 WeakPolarHBondContact O-CB 3.42Å; D291-M294 PolarHBondContact O-N 3.47Å; D291-M294 VanDerWaalsContact OD1-CE 3.32Å; D291-M294 WeakPolarHBondContact OD1-CE 3.3Å; M294-Y296 VanDerWaalsContact C-N 3.29Å; M294-Y296 PolarHBondContact O-N 3.07Å; M294-F297 PolarHBondContact O-N 2.82Å; M294-F297 VanDerWaalsContact O-N 3.12Å; M294-V298 WeakPolarHBondContact O-CG2 3.29Å; M294-V298 PolarHBondContact O-N 3.33Å
295K91.7Very high92.4Very high128 Ų12839.9 Ų39.956%0.55721%0.211SC*.Hα-helixtrans-54-43.9177.5-178.2179.4168.1179.90112.4C293 F297 V298 E299C293-K295 PolarHBondContact O-N 3.27Å; K295-F297 VanDerWaalsContact C-N 3.28Å; K295-F297 PolarHBondContact O-N 2.92Å; K295-V298 PolarHBondContact O-N 3.18Å; K295-E299 WeakPolarHBondContact CE-OE1 3.46Å; K295-E299 HydrophobicContact CG-CG 4.47Å; K295-E299 IonicContact NZ-OE1 2.79Å; K295-E299 WeakPolarHBondContact O-CG 3.39Å; K295-E299 PolarHBondContact O-N 2.89Å
296Y91.4Very high92.3Very high44 Ų4445 Ų4517%0.17323%0.23CC..Hα-helixtrans-64.7-32.9-178.9-58.5-55.1000112.7K269 I272 L292 C293 M294K269-Y296 HydrophobicContact CB-CE2 3.99Å; K269-Y296 HydrophobicContact CD-CE1 4.15Å; K269-Y296 WeakPolarHBondContact CD-OH 3.44Å; K269-Y296 HydrophobicContact CG-CE1 4.02Å; K269-Y296 HydrophobicContact CG-CE2 3.87Å; I272-Y296 HydrophobicContact CD1-CD2 3.99Å; L292-Y296 HydrophobicContact CD2-CE2 4.22Å; C293-Y296 PolarHBondContact O-N 3.3Å; M294-Y296 VanDerWaalsContact C-N 3.29Å; M294-Y296 PolarHBondContact O-N 3.07Å
297F93.5Very high92.3Very high0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-73.7-38.6175-64.7-60.7000112M222 L238 I272 L276 I283 I289 C293 M294 K295 V300 N301 A302 A304M222-F297 HydrophobicContact CE-CB 3.77Å; L238-F297 HydrophobicContact CD1-CE2 3.87Å; L238-F297 HydrophobicContact CD1-CZ 3.65Å; I272-F297 HydrophobicContact CB-CZ 4.5Å; I272-F297 HydrophobicContact CD1-CE2 4.38Å; I272-F297 HydrophobicContact CG1-CE2 4.44Å; I272-F297 HydrophobicContact CG1-CZ 4.09Å; I272-F297 HydrophobicContact CG2-CD1 4.43Å; I272-F297 HydrophobicContact CG2-CE1 3.79Å; I272-F297 HydrophobicContact CG2-CE2 4.32Å; I272-F297 HydrophobicContact CG2-CZ 3.73Å; L276-F297 HydrophobicContact CD1-CD1 4.48Å; L276-F297 HydrophobicContact CD2-CD1 4Å; L276-F297 HydrophobicContact CD2-CE1 4.16Å; L276-F297 HydrophobicContact CG-CE1 4.37Å; I283-F297 HydrophobicContact CB-CE1 4.37Å; I283-F297 HydrophobicContact CD1-CD1 3.6Å; I283-F297 HydrophobicContact CD1-CE1 3.52Å; I283-F297 HydrophobicContact CD1-CZ 4.5Å; I283-F297 HydrophobicContact CG1-CD1 4.29Å; I283-F297 HydrophobicContact CG1-CE1 3.71Å; I283-F297 HydrophobicContact CG1-CZ 4.33Å; I283-F297 HydrophobicContact CG2-CZ 4.44Å; I289-F297 HydrophobicContact CG2-CE2 4.37Å; C293-F297 WeakPolarHBondContact O-CD2 3.22Å; M294-F297 PolarHBondContact O-N 2.82Å; M294-F297 VanDerWaalsContact O-N 3.12Å; K295-F297 VanDerWaalsContact C-N 3.28Å; K295-F297 PolarHBondContact O-N 2.92Å; F297-V300 PolarHBondContact O-N 2.89Å; F297-N301 PolarHBondContact O-N 2.85Å; F297-A302 HydrophobicContact CB-CB 4.46Å; F297-A302 HydrophobicContact CD1-CB 4.26Å; F297-A302 PolarHBondContact O-N 3.01Å; F297-A304 HydrophobicContact CB-CB 4.24Å; F297-A304 HydrophobicContact CD1-CB 4.36Å; F297-A304 HydrophobicContact CD2-CB 3.69Å; F297-A304 HydrophobicContact CE2-CB 4.09Å; F297-A304 HydrophobicContact CG-CB 3.84Å
298V92.9Very high92.3Very high28 Ų2852 Ų5217%0.1725%0.249CC..Hα-helixtrans-63.8-43.5176.5174.60000111.1Q221 M222 M294 K295 V300 N301Q221-V298 HydrophobicContact CB-CG1 3.82Å; Q221-V298 HydrophobicContact CB-CG2 4.05Å; M222-V298 HydrophobicContact CE-CG2 4.15Å; M222-V298 HydrophobicContact CG-CG2 3.91Å; M294-V298 WeakPolarHBondContact O-CG2 3.29Å; M294-V298 PolarHBondContact O-N 3.33Å; K295-V298 PolarHBondContact O-N 3.18Å; V298-V300 PolarHBondContact O-N 3.36Å; V298-N301 PolarHBondContact O-N 3.46Å
299E92Very high92.3Very high121 Ų12158.8 Ų58.857%0.56528%0.276SS*.Hα-helixtrans-59.9-32.7179.2-74.8176.3170.600113.2K295K295-E299 WeakPolarHBondContact CE-OE1 3.46Å; K295-E299 HydrophobicContact CG-CG 4.47Å; K295-E299 IonicContact NZ-OE1 2.79Å; K295-E299 WeakPolarHBondContact O-CG 3.39Å; K295-E299 PolarHBondContact O-N 2.89Å
300V91.8Very high92.3Very high88 Ų8863 Ų6353%0.53329%0.294SS..THydrogen-bonded Turntrans-93.81180-176.10000112.2L276 F297 V298 A302L276-V300 HydrophobicContact CD1-CG2 4.1Å; L276-V300 HydrophobicContact CD2-CB 4.47Å; L276-V300 HydrophobicContact CD2-CG1 4.28Å; F297-V300 PolarHBondContact O-N 2.89Å; V298-V300 PolarHBondContact O-N 3.36Å; V300-A302 VanDerWaalsContact C-N 3.27Å; V300-A302 PolarHBondContact O-N 2.95Å
301N91.9Very high92.3Very high117 Ų11765.6 Ų65.663%0.62631%0.311SS*.THydrogen-bonded Turntrans53.343.2-171.6-63.9-54.6000112.7P223 F297 V298P223-N301 WeakPolarHBondContact CG-O 3.37Å; F297-N301 PolarHBondContact O-N 2.85Å; V298-N301 PolarHBondContact O-N 3.46Å
302A92.9Very high92.4Very high2 Ų260.7 Ų60.72%0.01729%0.285CS..  trans-97.4143.6172.500000110.6L276 N281 I283 F297 V300L276-A302 HydrophobicContact CD2-CB 4.11Å; N281-A302 CarbonylContact O-C 3.6Å; N281-A302 VanDerWaalsContact O-CA 3.3Å; N281-A302 WeakPolarHBondContact O-CA 3.43Å; N281-A302 WeakPolarHBondContact O-CB 3.45Å; I283-A302 HydrophobicContact CD1-CB 3.88Å; F297-A302 HydrophobicContact CB-CB 4.46Å; F297-A302 HydrophobicContact CD1-CB 4.26Å; F297-A302 PolarHBondContact O-N 3.01Å; V300-A302 VanDerWaalsContact C-N 3.27Å; V300-A302 PolarHBondContact O-N 2.95Å
303M94.4Very high92.6Very high0 Ų057.3 Ų57.30%027%0.267CS..EExtended strand (participates in β ladder)trans-87.8122173.3-179.8-174.5-75.700108.8A217 P223 R224 I226 N281 V282 I283 V305 V348 Q350 I359A217-M303 HydrophobicContact CB-CG 4.5Å; P223-M303 WeakPolarHBondContact O-CE 3.5Å; R224-M303 WeakPolarHBondContact O-CE 3.27Å; I226-M303 HydrophobicContact CD1-CB 3.38Å; I226-M303 HydrophobicContact CG1-CB 4.5Å; N281-M303 PolarHBondContact O-N 2.95Å; V282-M303 CarbonylContact C-O 3.52Å; V282-M303 VanDerWaalsContact CA-O 3.3Å; V282-M303 WeakPolarHBondContact CA-O 3.36Å; V282-M303 HydrophobicContact CG2-CB 4.5Å; I283-M303 PolarHBondContact N-O 3.16Å; M303-V305 HydrophobicContact CG-CG2 4.32Å; M303-V348 HydrophobicContact SD-CG1 3.9Å; M303-Q350 HydrophobicContact CE-CB 4.29Å; M303-I359 HydrophobicContact SD-CD1 4.34Å
304A95Very high92.7Very high0 Ų062 Ų620%029%0.288CS..EExtended strand (participates in β ladder)trans-116.1137.3173.400000110.7A218 M222 I283 I289 F297A218-A304 VanDerWaalsContact CB-O 3.3Å; A218-A304 WeakPolarHBondContact CB-O 3.44Å; A218-A304 PolarHBondContact N-O 3.2Å; M222-A304 HydrophobicContact CE-CB 3.88Å; M222-A304 HydrophobicContact SD-CB 4Å; M222-A304 PolarHBondContact SD-N 3.29Å; I283-A304 HydrophobicContact CB-CB 4.31Å; I283-A304 CarbonylContact O-C 3.57Å; I283-A304 WeakPolarHBondContact O-CA 3.48Å; I289-A304 HydrophobicContact CD1-CB 3.74Å; F297-A304 HydrophobicContact CB-CB 4.24Å; F297-A304 HydrophobicContact CD1-CB 4.36Å; F297-A304 HydrophobicContact CD2-CB 3.69Å; F297-A304 HydrophobicContact CE2-CB 4.09Å; F297-A304 HydrophobicContact CG-CB 3.84Å
305V94.9Very high92.5Very high0 Ų062.8 Ų62.80%029%0.292CS..EExtended strand (participates in β ladder)trans-126.9129.3-177.2-169.90000108.4L213 C215 I283 L284 T285 M303 C308 I359L213-V305 HydrophobicContact CD2-CG1 4.36Å; C215-V305 HydrophobicContact CB-CG1 3.5Å; C215-V305 VanDerWaalsContact CB-CG1 3.5Å; I283-V305 PolarHBondContact O-N 2.86Å; L284-V305 HydrophobicContact CD2-CB 3.54Å; L284-V305 HydrophobicContact CD2-CG1 4.32Å; L284-V305 HydrophobicContact CD2-CG2 3.37Å; T285-V305 VanDerWaalsContact CG2-O 3.3Å; T285-V305 WeakPolarHBondContact CG2-O 3.43Å; T285-V305 PolarHBondContact N-O 3.4Å; M303-V305 HydrophobicContact CG-CG2 4.32Å; V305-C308 WeakPolarHBondContact CG1-SG 3.34Å; V305-I359 HydrophobicContact CB-CD1 4.17Å; V305-I359 HydrophobicContact CG1-CD1 3.79Å; V305-I359 HydrophobicContact CG2-CD1 3.23Å
306R93.6Very high92.5Very high107 Ų10756.9 Ų56.940%0.40427%0.266SS..  trans-105.9153.3-176.365.3-176.8180179.9-2.3111.5T285 I289 C308T285-R306 HydrophobicContact CG2-CB 4.5Å; I289-R306 HydrophobicContact CB-CB 4.26Å; I289-R306 HydrophobicContact CD1-CB 4.15Å; I289-R306 HydrophobicContact CG1-CB 3.89Å; R306-C308 VanDerWaalsContact C-N 3.33Å; R306-C308 PolarHBondContact O-N 2.7Å
307R93.2Very high92.5Very high188 Ų18855 Ų5571%0.70926%0.26SS*.SBendtrans56.639.8172.6-57.8-176.1-179.8-174.40.6114.3T285 T286 G287T285-R307 PolarHBondContact O-N 2.95Å; T285-R307 VanDerWaalsContact O-N 3.15Å; T286-R307 WeakPolarHBondContact O-CA 3.4Å; G287-R307 PolarHBondContact O-N 3.36Å
308C93.9Very high92.2Very high5 Ų561.8 Ų61.83%0.03429%0.289CS..  trans-71146.6174.7-52.20000110.5L213 T285 T286 V305 R306 K310 L313L213-C308 HydrophobicContact CD2-CB 4.31Å; T285-C308 PolarHBondContact O-N 2.98Å; T285-C308 PolarHBondContact O-SG 3.07Å; T286-C308 WeakPolarHBondContact CA-O 3.22Å; V305-C308 WeakPolarHBondContact CG1-SG 3.34Å; R306-C308 VanDerWaalsContact C-N 3.33Å; R306-C308 PolarHBondContact O-N 2.7Å; C308-K310 PolarHBondContact O-N 2.78Å; C308-L313 HydrophobicContact CB-CD1 4.03Å; C308-L313 HydrophobicContact CB-CD2 3.58Å; C308-L313 HydrophobicContact CB-CG 3.82Å
309K92.6Very high92Very high153 Ų15360.7 Ų60.767%0.66528%0.283SS*.  trans-64132.2172.9-66.3178.8-179.8174.90109.8V311 D312 L313K309-V311 PolarHBondContact O-N 3.08Å; K309-D312 HydrophobicContact CB-CB 4.4Å; K309-D312 WeakPolarHBondContact CB-OD2 3.47Å; K309-D312 PolarHBondContact O-N 3.26Å; K309-D312 VanDerWaalsContact O-N 3.14Å; K309-L313 PolarHBondContact O-N 3.46Å; K309-L313 VanDerWaalsContact O-N 3.15Å
310K92.7Very high91.9Very high94 Ų9455 Ų5541%0.40926%0.257SS..Hα-helixtrans-60.2-32.4-179.3-176.6167.3176.7163.30113.3D235 T286 C308 K314 L324D235-K310 IonicContact OD1-NZ 3.73Å; D235-K310 WeakPolarHBondContact OD2-CE 3.45Å; D235-K310 IonicContact OD2-NZ 3.71Å; D235-K310 PolarHBondContact OD2-NZ 3.01Å; T286-K310 HydrophobicContact CG2-CB 3.95Å; T286-K310 HydrophobicContact CG2-CG 4.31Å; C308-K310 PolarHBondContact O-N 2.78Å; K310-K314 WeakPolarHBondContact O-CG 3.32Å; K310-K314 PolarHBondContact O-N 3.01Å; K310-K314 VanDerWaalsContact O-N 3.17Å; K310-L324 HydrophobicContact CG-CD2 4.27Å
311V90.9Very high91.7Very high95 Ų9552.6 Ų52.658%0.57625%0.25SC*.Hα-helixtrans-64.8-45.1177.3-178.80000110.4K309 K314 N315K309-V311 PolarHBondContact O-N 3.08Å; V311-K314 PolarHBondContact O-N 3.33Å; V311-N315 PolarHBondContact O-N 3.02Å; V311-N315 VanDerWaalsContact O-N 3.08Å
312D91.2Very high91.7Very high19 Ų1947.5 Ų47.510%0.10223%0.225CC..Hα-helixtrans-63.7-45178.9-64.4-30000111.6Y211 L213 K309 K314 N315 M316Y211-D312 HydrophobicContact CE1-CB 3.85Å; Y211-D312 WeakPolarHBondContact OH-CA 3.48Å; Y211-D312 PolarHBondContact OH-OD1 2.97Å; L213-D312 HydrophobicContact CD1-CB 3.71Å; K309-D312 HydrophobicContact CB-CB 4.4Å; K309-D312 WeakPolarHBondContact CB-OD2 3.47Å; K309-D312 PolarHBondContact O-N 3.26Å; K309-D312 VanDerWaalsContact O-N 3.14Å; D312-K314 VanDerWaalsContact C-N 3.29Å; D312-K314 PolarHBondContact O-N 3.33Å; D312-N315 PolarHBondContact O-N 3.18Å; D312-N315 VanDerWaalsContact O-N 3.09Å; D312-M316 WeakPolarHBondContact O-CG 3.29Å; D312-M316 PolarHBondContact O-N 3.2Å
313L92.6Very high91.6Very high0 Ų052.8 Ų52.80%025%0.249CC..Hα-helixtrans-61.3-38.3177.5-62.8-164.1000112.4F233 L284 T286 C308 K309 N315 A317 L324F233-L313 HydrophobicContact CD1-CB 4.25Å; F233-L313 HydrophobicContact CD1-CD2 4.25Å; L284-L313 HydrophobicContact CB-CD1 4.4Å; L284-L313 HydrophobicContact CB-CD2 3.57Å; L284-L313 HydrophobicContact CD1-CD2 3.86Å; L284-L313 HydrophobicContact CG-CD2 4.33Å; T286-L313 HydrophobicContact CG2-CD1 3.53Å; T286-L313 HydrophobicContact CG2-CG 4.37Å; C308-L313 HydrophobicContact CB-CD1 4.03Å; C308-L313 HydrophobicContact CB-CD2 3.58Å; C308-L313 HydrophobicContact CB-CG 3.82Å; K309-L313 PolarHBondContact O-N 3.46Å; K309-L313 VanDerWaalsContact O-N 3.15Å; L313-N315 VanDerWaalsContact C-N 3.34Å; L313-A317 WeakPolarHBondContact O-CB 3.35Å; L313-A317 PolarHBondContact O-N 3.13Å; L313-L324 HydrophobicContact CB-CD1 4.14Å; L313-L324 HydrophobicContact CD1-CD1 4.24Å
314K91.3Very high91.6Very high101 Ų10154.7 Ų54.744%0.43926%0.259SS..Hα-helixtrans-64.2-39.9175.1-74.4179.2177.4-174.90111.9K310 V311 D312 K318 L324K310-K314 WeakPolarHBondContact O-CG 3.32Å; K310-K314 PolarHBondContact O-N 3.01Å; K310-K314 VanDerWaalsContact O-N 3.17Å; V311-K314 PolarHBondContact O-N 3.33Å; D312-K314 VanDerWaalsContact C-N 3.29Å; D312-K314 PolarHBondContact O-N 3.33Å; K314-K318 WeakPolarHBondContact O-CG 3.42Å; K314-K318 PolarHBondContact O-N 2.89Å; K314-K318 VanDerWaalsContact O-N 3.15Å; K314-L324 HydrophobicContact CG-CD2 3.8Å
315N88.1Confident91.4Very high29 Ų2955.4 Ų55.416%0.15526%0.263CS..Hα-helixtrans-69-46.3179.1-72-19.1000111.4K190 Y211 V311 D312 L313 A317 K318 A319K190-N315 PolarHBondContact O-ND2 3.44Å; Y211-N315 HydrophobicContact CE2-CB 3.78Å; Y211-N315 PolarHBondContact OH-ND2 3.38Å; V311-N315 PolarHBondContact O-N 3.02Å; V311-N315 VanDerWaalsContact O-N 3.08Å; D312-N315 PolarHBondContact O-N 3.18Å; D312-N315 VanDerWaalsContact O-N 3.09Å; L313-N315 VanDerWaalsContact C-N 3.34Å; N315-A317 VanDerWaalsContact C-N 3.34Å; N315-A317 PolarHBondContact O-N 3.04Å; N315-K318 WeakPolarHBondContact O-CB 3.45Å; N315-K318 PolarHBondContact O-N 3.31Å; N315-A319 PolarHBondContact O-N 3.45Å
316M90.9Very high91.3Very high3 Ų360.2 Ų60.22%0.01529%0.292CS..Hα-helixtrans-62.9-39.7175.6-68.8-179.476.100112.1Y211 F233 L284 D312 K318 A319 T320 L361Y211-M316 HydrophobicContact CD1-CG 3.32Å; Y211-M316 HydrophobicContact CD1-SD 3.68Å; Y211-M316 HydrophobicContact CD2-CG 4.22Å; Y211-M316 HydrophobicContact CE1-CG 3.83Å; Y211-M316 HydrophobicContact CE1-SD 4.21Å; Y211-M316 HydrophobicContact CG-CG 3.53Å; Y211-M316 HydrophobicContact CG-SD 4.37Å; F233-M316 HydrophobicContact CE1-CB 3.49Å; F233-M316 VanDerWaalsContact CE1-CB 3.49Å; F233-M316 HydrophobicContact CZ-CB 3.88Å; L284-M316 HydrophobicContact CD1-CE 3.68Å; L284-M316 HydrophobicContact CD1-SD 3.89Å; D312-M316 WeakPolarHBondContact O-CG 3.29Å; D312-M316 PolarHBondContact O-N 3.2Å; M316-K318 VanDerWaalsContact C-N 3.34Å; M316-K318 PolarHBondContact O-N 2.92Å; M316-A319 PolarHBondContact O-N 2.99Å; M316-T320 WeakPolarHBondContact O-CB 3.27Å; M316-T320 VanDerWaalsContact O-CG2 3.29Å; M316-T320 WeakPolarHBondContact O-CG2 3.36Å; M316-T320 PolarHBondContact O-N 3.44Å; M316-T320 PolarHBondContact O-OG1 3.35Å; M316-L361 HydrophobicContact CE-CB 3.91Å; M316-L361 HydrophobicContact CE-CD1 3.38Å; M316-L361 HydrophobicContact CE-CG 4.32Å
317A91.7Very high90.9Very high4 Ų458.8 Ų58.83%0.03330%0.298CS..Hα-helixtrans-58.5-46.6174.900000110.9F233 L313 N315 T320 G321 G322F233-A317 HydrophobicContact CD1-CB 4.3Å; F233-A317 HydrophobicContact CD2-CB 3.76Å; F233-A317 HydrophobicContact CE1-CB 4.43Å; F233-A317 HydrophobicContact CE2-CB 3.93Å; F233-A317 HydrophobicContact CG-CB 3.97Å; F233-A317 HydrophobicContact CZ-CB 4.26Å; L313-A317 WeakPolarHBondContact O-CB 3.35Å; L313-A317 PolarHBondContact O-N 3.13Å; N315-A317 VanDerWaalsContact C-N 3.34Å; N315-A317 PolarHBondContact O-N 3.04Å; A317-T320 PolarHBondContact O-N 2.66Å; A317-T320 PolarHBondContact O-OG1 2.99Å; A317-G321 CarbonylContact O-C 3.42Å; A317-G321 WeakPolarHBondContact O-CA 3.32Å; A317-G321 PolarHBondContact O-N 2.88Å; A317-G322 CarbonylContact C-O 3.55Å; A317-G322 WeakPolarHBondContact CB-O 3.31Å; A317-G322 PolarHBondContact O-N 2.88Å
318K88.1Confident90.5Very high143 Ų14350.2 Ų50.262%0.62227%0.267SS*.Hα-helixtrans-60.9-46.2174.4-71174.1-179.3-178.20112.6K314 N315 M316 T320 G321 H367K314-K318 WeakPolarHBondContact O-CG 3.42Å; K314-K318 PolarHBondContact O-N 2.89Å; K314-K318 VanDerWaalsContact O-N 3.15Å; N315-K318 WeakPolarHBondContact O-CB 3.45Å; N315-K318 PolarHBondContact O-N 3.31Å; M316-K318 VanDerWaalsContact C-N 3.34Å; M316-K318 PolarHBondContact O-N 2.92Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 3.48Å; K318-G321 PolarHBondContact O-N 3.27Å; K318-H367 PolarHBondContact O-CD2 3.22Å
319A87.6Confident90Very high6 Ų652.6 Ų52.65%0.0529%0.287CS..Hα-helixtrans-60.4-42.1-179.700000112.3N315 M316 P364 V366 H367N315-A319 PolarHBondContact O-N 3.45Å; M316-A319 PolarHBondContact O-N 2.99Å; A319-P364 HydrophobicContact CB-CB 3.9Å; A319-P364 HydrophobicContact CB-CG 4.38Å; A319-P364 WeakPolarHBondContact O-CB 3.37Å; A319-V366 WeakPolarHBondContact O-CB 3.39Å; A319-V366 PolarHBondContact O-N 3.49Å; A319-V366 VanDerWaalsContact O-N 3.17Å; A319-H367 WeakPolarHBondContact CA-O 3.31Å; A319-H367 PolarHBondContact O-N 3.33Å
320T90.2Very high89.4Confident1 Ų148.5 Ų48.51%0.00627%0.272CS..Hα-helixtrans-91-8.9-173.959.50000114.5I231 F233 M316 A317 K318 G322 G343 N344 A345 L361 P364I231-T320 HydrophobicContact CD1-CG2 3.91Å; F233-T320 WeakPolarHBondContact CE2-OG1 3.29Å; F233-T320 HydrophobicContact CZ-CG2 4.49Å; F233-T320 WeakPolarHBondContact CZ-OG1 3.48Å; M316-T320 WeakPolarHBondContact O-CB 3.27Å; M316-T320 VanDerWaalsContact O-CG2 3.29Å; M316-T320 WeakPolarHBondContact O-CG2 3.36Å; M316-T320 PolarHBondContact O-N 3.44Å; M316-T320 PolarHBondContact O-OG1 3.35Å; A317-T320 PolarHBondContact O-N 2.66Å; A317-T320 PolarHBondContact O-OG1 2.99Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 3.48Å; T320-G322 VanDerWaalsContact C-N 3.33Å; T320-G343 WeakPolarHBondContact OG1-CA 3.23Å; T320-N344 PolarHBondContact O-N 2.88Å; T320-A345 HydrophobicContact CG2-CB 4.36Å; T320-L361 HydrophobicContact CG2-CD1 3.56Å; T320-L361 HydrophobicContact CG2-CD2 4.23Å; T320-P364 HydrophobicContact CG2-CB 4.34Å
321G88.9Confident88.6Confident37 Ų3752.7 Ų52.738%0.38130%0.295SS..THydrogen-bonded Turntrans80.38.1-17300000114.9A317 K318A317-G321 CarbonylContact O-C 3.42Å; A317-G321 WeakPolarHBondContact O-CA 3.32Å; A317-G321 PolarHBondContact O-N 2.88Å; K318-G321 PolarHBondContact O-N 3.27Å
322G90.4Very high87.9Confident10 Ų1056.1 Ų56.110%0.10331%0.305CS..  trans-78168176.500000113A317 T320 K341A317-G322 CarbonylContact C-O 3.55Å; A317-G322 WeakPolarHBondContact CB-O 3.31Å; A317-G322 PolarHBondContact O-N 2.88Å; T320-G322 VanDerWaalsContact C-N 3.33Å; G322-K341 WeakPolarHBondContact CA-O 3.37Å
323Q92.2Very high87.1Confident114 Ų11457.8 Ų57.853%0.53333%0.327SS..  trans-116.8140.2172.9-64.9-174.8-2.200110.4I325 K341Q323-I325 PolarHBondContact O-N 2.67Å; Q323-K341 HydrophobicContact CB-CB 4.38Å; Q323-K341 PolarHBondContact N-O 3.23Å
324L92.9Very high86.6Confident39 Ų3962.7 Ų62.720%0.20435%0.353CS..EExtended strand (participates in β ladder)trans-76.5114.3172.3-178.468.8000109.2F233 D235 K310 L313 K314F233-L324 HydrophobicContact CB-CD1 3.97Å; D235-L324 HydrophobicContact CB-CD1 4.04Å; D235-L324 HydrophobicContact CB-CD2 4.2Å; D235-L324 HydrophobicContact CB-CG 4.05Å; K310-L324 HydrophobicContact CG-CD2 4.27Å; L313-L324 HydrophobicContact CB-CD1 4.14Å; L313-L324 HydrophobicContact CD1-CD1 4.24Å; K314-L324 HydrophobicContact CG-CD2 3.8Å
325I92.2Very high86.1Confident16 Ų1660.5 Ų60.58%0.08234%0.344CS..EExtended strand (participates in β ladder)trans-93.4117-174.7-63.1166000109.5F233 L234 D235 F236 Q323 S327 F337 K341F233-I325 PolarHBondContact O-N 3.07Å; L234-I325 HydrophobicContact CD2-CB 4.41Å; D235-I325 PolarHBondContact N-O 3.19Å; F236-I325 HydrophobicContact CE1-CG2 4.29Å; Q323-I325 PolarHBondContact O-N 2.67Å; I325-S327 WeakPolarHBondContact CG2-O 3.48Å; I325-F337 HydrophobicContact CD1-CD2 3.89Å; I325-F337 HydrophobicContact CD1-CE1 4.21Å; I325-F337 HydrophobicContact CD1-CE2 3.1Å; I325-F337 HydrophobicContact CD1-CZ 3.29Å; I325-K341 HydrophobicContact CD1-CB 3.99Å; I325-K341 HydrophobicContact CD1-CD 4.17Å; I325-K341 HydrophobicContact CG1-CD 4.32Å
326V91.3Very high85.8Confident101 Ų10162.4 Ų62.461%0.61236%0.357SS*.SBendtrans-83.5-35.2178.6-176.90000111.8D235D235-V326 HydrophobicContact CB-CG2 4.48Å
327S86.5Confident85.5Confident77 Ų7762.8 Ų62.854%0.53836%0.359SS..  trans-145.3150.9178.7-177.60000109.7I325 A329I325-S327 WeakPolarHBondContact CG2-O 3.48Å; S327-A329 PolarHBondContact OG-N 3.05Å
328L84.8Confident85.2Confident8 Ų864.8 Ų64.84%0.04237%0.369CS..SBendtrans-79.9-4.3174.4-66.5174.2000113.2F236 R271 I275 E335 V336 F337F236-L328 HydrophobicContact CE1-CD2 4.36Å; F236-L328 HydrophobicContact CE1-CG 4.14Å; F236-L328 HydrophobicContact CE2-CD1 4.31Å; F236-L328 HydrophobicContact CE2-CG 4.45Å; F236-L328 HydrophobicContact CZ-CD1 3.9Å; F236-L328 HydrophobicContact CZ-CD2 3.95Å; F236-L328 HydrophobicContact CZ-CG 3.66Å; R271-L328 HydrophobicContact CB-CD1 3.68Å; R271-L328 HydrophobicContact CG-CD1 3.63Å; I275-L328 HydrophobicContact CG1-CD2 4.34Å; L328-E335 HydrophobicContact CB-CB 4.39Å; L328-E335 HydrophobicContact CB-CG 4.27Å; L328-E335 CarbonylContact O-C 3.59Å; L328-E335 VanDerWaalsContact O-CA 3.29Å; L328-E335 WeakPolarHBondContact O-CA 3.41Å; L328-V336 PolarHBondContact O-N 3.31Å; L328-V336 VanDerWaalsContact O-O 3.12Å; L328-F337 HydrophobicContact CD2-CB 4.5Å; L328-F337 HydrophobicContact CD2-CD2 3.62Å; L328-F337 HydrophobicContact CD2-CE2 4.41Å
329A82.7Confident85.1Confident55 Ų5562 Ų6246%0.45537%0.365SS..BIsolated β-bridgetrans-70.8131.2179.100000111.2S327S327-A329 PolarHBondContact OG-N 3.05Å
330D80.2Confident85.2Confident66 Ų6667.2 Ų67.235%0.35340%0.397SS..  trans-87.8177.2166.5-16210.8000111.2E332 G333 D334D330-E332 PolarHBondContact O-N 2.88Å; D330-E332 VanDerWaalsContact O-N 3.16Å; D330-G333 PolarHBondContact O-N 3.27Å; D330-D334 PolarHBondContact N-O 3.31Å
331M76.9Confident85.1Confident183 Ų18369.4 Ų69.490%0.90141%0.406SS*.THydrogen-bonded Turntrans-57.2-27.4179.9-64.5-66.1-70.200113.4G333M331-G333 VanDerWaalsContact C-N 3.33Å
332E75Confident85.3Confident166 Ų16668 Ų6878%0.77639%0.39SS*.THydrogen-bonded Turntrans-86.2-3.7178.3-60.3-173.1165.400113.1D330 D334D330-E332 PolarHBondContact O-N 2.88Å; D330-E332 VanDerWaalsContact O-N 3.16Å; E332-D334 VanDerWaalsContact C-N 3.27Å
333G74.8Confident85.3Confident55 Ų5567.6 Ų67.657%0.56739%0.385SS*.SBendtrans85.3-5.3-177.700000114.3D330 M331D330-G333 PolarHBondContact O-N 3.27Å; M331-G333 VanDerWaalsContact C-N 3.33Å
334D81.2Confident85.4Confident103 Ų10365 Ų6555%0.55138%0.375SS*.  trans-73.9142.5173-76-28.3000111.3D330 E332 V336D330-D334 PolarHBondContact N-O 3.31Å; E332-D334 VanDerWaalsContact C-N 3.27Å; D334-V336 HydrophobicContact CB-CG2 4.28Å; D334-V336 PolarHBondContact O-N 2.92Å
335E81.2Confident85.3Confident54 Ų5463.2 Ų63.225%0.25237%0.366SS..BIsolated β-bridgetrans-83102.6174.7-79.8-174.9173.500109.5R271 K274 L328R271-E335 IonicContact CZ-OE1 2.97Å; R271-E335 VanDerWaalsContact CZ-OE1 3.27Å; R271-E335 IonicContact NE-OE1 3.56Å; R271-E335 PolarHBondContact NE-OE1 2.94Å; R271-E335 IonicContact NE-OE2 3.27Å; R271-E335 IonicContact NH2-OE1 3.16Å; R271-E335 PolarHBondContact NH2-OE1 3.24Å; K274-E335 HydrophobicContact CD-CB 4.33Å; K274-E335 VanDerWaalsContact CD-O 3.26Å; K274-E335 WeakPolarHBondContact CD-O 3.37Å; K274-E335 VanDerWaalsContact CE-O 3.26Å; K274-E335 WeakPolarHBondContact CE-O 3.39Å; K274-E335 PolarHBondContact NZ-O 3.06Å; K274-E335 IonicContact NZ-OE2 3.24Å; K274-E335 PolarHBondContact NZ-OE2 2.62Å; L328-E335 HydrophobicContact CB-CB 4.39Å; L328-E335 HydrophobicContact CB-CG 4.27Å; L328-E335 CarbonylContact O-C 3.59Å; L328-E335 VanDerWaalsContact O-CA 3.29Å; L328-E335 WeakPolarHBondContact O-CA 3.41Å
336V82.7Confident85.3Confident69 Ų6968.7 Ų68.742%0.41839%0.391SS..  trans-130.9143.8179-178.40000109.7L328 D334L328-V336 PolarHBondContact O-N 3.31Å; L328-V336 VanDerWaalsContact O-O 3.12Å; D334-V336 HydrophobicContact CB-CG2 4.28Å; D334-V336 PolarHBondContact O-N 2.92Å
337F84.2Confident85.4Confident12 Ų1266.5 Ų66.55%0.05337%0.374CS..  trans-111105.8173.5-166.1-74.8000109.9A232 L234 I275 A278 I325 L328 L342A232-F337 HydrophobicContact CB-CE2 4.35Å; A232-F337 HydrophobicContact CB-CZ 3.83Å; L234-F337 HydrophobicContact CD2-CE2 3.94Å; I275-F337 HydrophobicContact CB-CD2 4.46Å; I275-F337 HydrophobicContact CG1-CD2 3.7Å; I275-F337 HydrophobicContact CG1-CE2 4.06Å; I275-F337 HydrophobicContact CG1-CG 4.34Å; I275-F337 HydrophobicContact CG2-CE2 4.47Å; A278-F337 HydrophobicContact CB-CB 4.34Å; A278-F337 HydrophobicContact CB-CD1 3.37Å; A278-F337 HydrophobicContact CB-CE1 4.07Å; A278-F337 HydrophobicContact CB-CG 4.19Å; I325-F337 HydrophobicContact CD1-CD2 3.89Å; I325-F337 HydrophobicContact CD1-CE1 4.21Å; I325-F337 HydrophobicContact CD1-CE2 3.1Å; I325-F337 HydrophobicContact CD1-CZ 3.29Å; L328-F337 HydrophobicContact CD2-CB 4.5Å; L328-F337 HydrophobicContact CD2-CD2 3.62Å; L328-F337 HydrophobicContact CD2-CE2 4.41Å; F337-L342 HydrophobicContact CE1-CD2 3.4Å; F337-L342 HydrophobicContact CE1-CG 3.8Å; F337-L342 HydrophobicContact CZ-CD2 3.7Å
338D85.1Confident85.8Confident46 Ų4663 Ų6325%0.24635%0.35CS..  trans-71.6129.1178.6-61.2-49.2000111.4T340 K341D338-T340 PolarHBondContact O-N 3.49Å; D338-T340 VanDerWaalsContact O-N 3.17Å; D338-K341 HydrophobicContact CB-CD 4.03Å; D338-K341 HydrophobicContact CB-CG 4.18Å; D338-K341 WeakPolarHBondContact O-CB 3.28Å; D338-K341 PolarHBondContact O-N 2.71Å; D338-K341 VanDerWaalsContact O-N 3.12Å; D338-K341 WeakPolarHBondContact OD2-CE 3.24Å; D338-K341 IonicContact OD2-NZ 2.88Å; D338-K341 PolarHBondContact OD2-NZ 3.1Å
339P87.4Confident86.2Confident83 Ų8362.7 Ų62.754%0.53935%0.348SS..G310 helixtrans-65.7-18.7177.527.2-34.6000112.8K341 L342P339-K341 PolarHBondContact O-N 3.38Å; P339-L342 WeakPolarHBondContact O-CB 3.41Å; P339-L342 PolarHBondContact O-N 2.97Å
340T88.2Confident86.7Confident117 Ų11761.2 Ų61.272%0.71833%0.332SS*.G310 helixtrans-67.8-21.3175.655.80000113D338 L342D338-T340 PolarHBondContact O-N 3.49Å; D338-T340 VanDerWaalsContact O-N 3.17Å; T340-L342 VanDerWaalsContact C-N 3.29Å
341K88.8Confident87.2Confident47 Ų4761 Ų6120%0.20433%0.329CS..G310 helixtrans-82-7.3179.3-64.9170.6176152.30112.7G322 Q323 I325 D338 P339G322-K341 WeakPolarHBondContact CA-O 3.37Å; Q323-K341 HydrophobicContact CB-CB 4.38Å; Q323-K341 PolarHBondContact N-O 3.23Å; I325-K341 HydrophobicContact CD1-CB 3.99Å; I325-K341 HydrophobicContact CD1-CD 4.17Å; I325-K341 HydrophobicContact CG1-CD 4.32Å; D338-K341 HydrophobicContact CB-CD 4.03Å; D338-K341 HydrophobicContact CB-CG 4.18Å; D338-K341 WeakPolarHBondContact O-CB 3.28Å; D338-K341 PolarHBondContact O-N 2.71Å; D338-K341 VanDerWaalsContact O-N 3.12Å; D338-K341 WeakPolarHBondContact OD2-CE 3.24Å; D338-K341 IonicContact OD2-NZ 2.88Å; D338-K341 PolarHBondContact OD2-NZ 3.1Å; P339-K341 PolarHBondContact O-N 3.38Å
342L92Very high87.8Confident8 Ų860.3 Ų60.34%0.04232%0.316CS..  trans-75.7135.5179.2-64.9173.9000111.9K230 I231 A232 A278 A280 F337 P339 T340K230-L342 HydrophobicContact CB-CD1 4.36Å; I231-L342 WeakPolarHBondContact O-CA 3.32Å; A232-L342 HydrophobicContact CB-CD2 3.81Å; A278-L342 HydrophobicContact CB-CD1 4.38Å; A278-L342 WeakPolarHBondContact O-CD1 3.5Å; A280-L342 HydrophobicContact CB-CD2 3.85Å; F337-L342 HydrophobicContact CE1-CD2 3.4Å; F337-L342 HydrophobicContact CE1-CG 3.8Å; F337-L342 HydrophobicContact CZ-CD2 3.7Å; P339-L342 WeakPolarHBondContact O-CB 3.41Å; P339-L342 PolarHBondContact O-N 2.97Å; T340-L342 VanDerWaalsContact C-N 3.29Å
343G92.3Very high88.3Confident0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-76.7151.6168.300000111.7K230 I231 T320K230-G343 CarbonylContact C-O 3.5Å; K230-G343 WeakPolarHBondContact CA-O 3.47Å; I231-G343 PolarHBondContact N-O 3.11Å; I231-G343 PolarHBondContact O-N 3.37Å; T320-G343 WeakPolarHBondContact OG1-CA 3.23Å
344N93.1Very high88.6Confident60 Ų6052.3 Ų52.332%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-119.7130.5175.8-65.8-73.3000111.3T320 K365T320-N344 PolarHBondContact O-N 2.88Å; N344-K365 HydrophobicContact CB-CD 3.72Å; N344-K365 HydrophobicContact CB-CG 4.22Å; N344-K365 PolarHBondContact O-N 3.4Å
345A92.1Very high88.8Confident2 Ų252.6 Ų52.62%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-135.6158.2172.900000111.4K228 A229 I231 T320 L361K228-A345 CarbonylContact C-O 3.08Å; A229-A345 HydrophobicContact CB-CB 4.45Å; A229-A345 PolarHBondContact N-O 3.18Å; A229-A345 PolarHBondContact O-N 3.38Å; I231-A345 HydrophobicContact CD1-CB 3.86Å; T320-A345 HydrophobicContact CG2-CB 4.36Å; A345-L361 HydrophobicContact CB-CD1 4.03Å; A345-L361 HydrophobicContact CB-CD2 3.78Å; A345-L361 HydrophobicContact CB-CG 3.75Å
346E92Very high89Confident131 Ų13153 Ų5361%0.61227%0.274SS*.EExtended strand (participates in β ladder)trans-70.9-45178.2-70.9-176170.100112.3K228 R362 G363K228-E346 PolarHBondContact N-O 3.34Å; E346-R362 PolarHBondContact N-O 3.14Å; E346-G363 PolarHBondContact N-O 2.93Å
347E93.1Very high89.4Confident55 Ų5552.5 Ų52.526%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-149.7140.1-178.5-173.7170.3166.900110.9I225 I226 R362I225-E347 HydrophobicContact CG2-CG 4.22Å; I225-E347 VanDerWaalsContact CG2-OE1 3.28Å; I225-E347 WeakPolarHBondContact CG2-OE1 3.27Å; I226-E347 WeakPolarHBondContact O-CA 3.3Å; E347-R362 PolarHBondContact N-O 3.14Å; E347-R362 PolarHBondContact O-N 3.2Å
348V93.7Very high89.8Confident3 Ų352 Ų522%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-121.4115.2165.2176.80000107.3I226 A229 I231 V282 M303 I359 I360 L361I226-V348 PolarHBondContact N-O 2.94Å; I226-V348 PolarHBondContact O-N 3.18Å; A229-V348 HydrophobicContact CB-CB 4.18Å; A229-V348 HydrophobicContact CB-CG2 3.55Å; I231-V348 HydrophobicContact CD1-CG2 4.13Å; V282-V348 HydrophobicContact CG1-CG1 4.39Å; V282-V348 HydrophobicContact CG2-CB 4.09Å; V282-V348 HydrophobicContact CG2-CG1 4.31Å; V282-V348 HydrophobicContact CG2-CG2 4.17Å; M303-V348 HydrophobicContact SD-CG1 3.9Å; V348-I359 HydrophobicContact CG1-CG2 3.69Å; V348-I360 WeakPolarHBondContact CA-O 3.31Å; V348-L361 HydrophobicContact CG2-CB 4.37Å; V348-L361 HydrophobicContact CG2-CD1 4.45Å; V348-L361 HydrophobicContact CG2-CG 4.19Å
349S93.6Very high90.2Very high1 Ų149.9 Ų49.91%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-116145.3179.760.20000110.6R224 E351 I359 I360R224-S349 CarbonylContact O-C 3.54Å; R224-S349 WeakPolarHBondContact O-CA 3.31Å; S349-E351 PolarHBondContact OG-OE1 3.47Å; S349-I359 CarbonylContact O-C 3.5Å; S349-I359 WeakPolarHBondContact O-CA 2.76Å; S349-I360 PolarHBondContact N-O 2.96Å; S349-I360 PolarHBondContact O-N 3.45Å
350Q93.1Very high90.4Very high25 Ų2545.9 Ų45.912%0.11723%0.228CC..EExtended strand (participates in β ladder)trans-100.6109.7165-176.8177.2-3.700107.3R224 M303 E357 L358 I359R224-Q350 HydrophobicContact CB-CB 4.35Å; R224-Q350 PolarHBondContact O-N 3.28Å; M303-Q350 HydrophobicContact CE-CB 4.29Å; Q350-E357 HydrophobicContact CG-CB 4.39Å; Q350-E357 PolarHBondContact NE2-OE2 3.02Å; Q350-L358 CarbonylContact C-O 3.56Å; Q350-L358 WeakPolarHBondContact CA-O 3.42Å; Q350-I359 HydrophobicContact CB-CG1 4.43Å; Q350-I359 HydrophobicContact CG-CG1 4.43Å
351E91.1Very high90.6Very high61 Ų6140.3 Ų40.329%0.28519%0.194SC..EExtended strand (participates in β ladder)trans-114.1136-177.7-69.4177.6-147.900109.4S349 L358 I360 R362S349-E351 PolarHBondContact OG-OE1 3.47Å; E351-L358 PolarHBondContact N-O 3Å; E351-L358 PolarHBondContact O-N 3.27Å; E351-I360 HydrophobicContact CB-CD1 3.9Å; E351-I360 HydrophobicContact CG-CD1 4.14Å; E351-R362 IonicContact OE1-CZ 2.72Å; E351-R362 IonicContact OE1-NE 2.63Å; E351-R362 IonicContact OE1-NH2 3.32Å; E351-R362 PolarHBondContact OE1-NH2 3.03Å; E351-R362 IonicContact OE2-NH2 3.86Å; E351-R362 PolarHBondContact OE2-NH2 3.49Å
352R89.2Confident90.8Very high168 Ų16843 Ų4363%0.63420%0.202SC*.EExtended strand (participates in β ladder)trans-83.9119.3174-175.8174.7173.4171.41.7109.2C354 D355 D356 E357R352-C354 WeakPolarHBondContact CG-O 3.49Å; R352-C354 PolarHBondContact NE-O 3.27Å; R352-D355 IonicContact NH2-OD1 2.72Å; R352-D355 PolarHBondContact NH2-OD1 3.49Å; R352-D356 CarbonylContact C-O 3.55Å; R352-D356 WeakPolarHBondContact CA-O 3.34Å; R352-E357 HydrophobicContact CB-CG 4.2Å; R352-E357 HydrophobicContact CG-CG 4.25Å
353I85.9Confident90.5Very high5 Ų543.5 Ų43.53%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-119.5104.1178-69.1159.5000107.4A197 M206 D355 D356 L358 I360 I373A197-I353 HydrophobicContact CB-CG2 4.06Å; M206-I353 HydrophobicContact CE-CD1 3.19Å; M206-I353 HydrophobicContact CE-CG1 3.74Å; M206-I353 HydrophobicContact CE-CG2 4.32Å; I353-D355 PolarHBondContact O-N 2.66Å; I353-D356 CarbonylContact C-O 3.46Å; I353-D356 PolarHBondContact N-O 3.46Å; I353-D356 PolarHBondContact O-N 3.1Å; I353-L358 HydrophobicContact CB-CD1 4.17Å; I353-L358 HydrophobicContact CD1-CB 4.34Å; I353-L358 HydrophobicContact CD1-CD1 3.7Å; I353-L358 HydrophobicContact CD1-CG 4.32Å; I353-I360 HydrophobicContact CD1-CD1 4.04Å; I353-I373 HydrophobicContact CD1-CD1 3.65Å; I353-I373 HydrophobicContact CG2-CG2 4.25Å
354C81.8Confident90.1Very high49 Ų4944.5 Ų44.533%0.33122%0.216SC..THydrogen-bonded Turntrans59.3-119.2-167-156.90000112.2H198 R352H198-C354 PolarHBondContact O-SG 2.8Å; H198-C354 VanDerWaalsContact O-SG 3.32Å; R352-C354 WeakPolarHBondContact CG-O 3.49Å; R352-C354 PolarHBondContact NE-O 3.27Å
355D84Confident89.5Confident109 Ų10948.5 Ų48.558%0.58323%0.231SC*.THydrogen-bonded Turntrans-93.4-15.3178.9-68.9-31.6000113R352 I353R352-D355 IonicContact NH2-OD1 2.72Å; R352-D355 PolarHBondContact NH2-OD1 3.49Å; I353-D355 PolarHBondContact O-N 2.66Å
356D86.4Confident89Confident61 Ų6152.1 Ų52.133%0.32625%0.253SS..EExtended strand (participates in β ladder)trans-89.9145.9176.9-71.1-22.1000111.7R352 I353 L358R352-D356 CarbonylContact C-O 3.55Å; R352-D356 WeakPolarHBondContact CA-O 3.34Å; I353-D356 CarbonylContact C-O 3.46Å; I353-D356 PolarHBondContact N-O 3.46Å; I353-D356 PolarHBondContact O-N 3.1Å; D356-L358 HydrophobicContact CB-CD2 4.3Å
357E89.7Confident88.4Confident59 Ų5949.7 Ų49.728%0.27624%0.241SC..EExtended strand (participates in β ladder)trans-104.7119.4168.4-69.5-176.8165.900108.6T216 Q350 R352T216-E357 HydrophobicContact CG2-CB 3.82Å; Q350-E357 HydrophobicContact CG-CB 4.39Å; Q350-E357 PolarHBondContact NE2-OE2 3.02Å; R352-E357 HydrophobicContact CB-CG 4.2Å; R352-E357 HydrophobicContact CG-CG 4.25Å
358L92.8Very high87.8Confident2 Ų250.5 Ų50.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-110.6145-176.8-56.1-178000109.9L195 L213 N214 Q350 E351 I353 D356 I373L195-L358 HydrophobicContact CD1-CD1 3.95Å; L195-L358 HydrophobicContact CD1-CD2 4.34Å; L213-L358 WeakPolarHBondContact O-CA 3.35Å; N214-L358 HydrophobicContact CB-CD2 3.71Å; Q350-L358 CarbonylContact C-O 3.56Å; Q350-L358 WeakPolarHBondContact CA-O 3.42Å; E351-L358 PolarHBondContact N-O 3Å; E351-L358 PolarHBondContact O-N 3.27Å; I353-L358 HydrophobicContact CB-CD1 4.17Å; I353-L358 HydrophobicContact CD1-CB 4.34Å; I353-L358 HydrophobicContact CD1-CD1 3.7Å; I353-L358 HydrophobicContact CD1-CG 4.32Å; D356-L358 HydrophobicContact CB-CD2 4.3Å; L358-I373 HydrophobicContact CD1-CD1 3.68Å
359I93.5Very high87.4Confident1 Ų150.7 Ų50.71%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-95.7119.8171.6-68.3171.7000108.2A212 L213 C215 M303 V305 V348 S349 Q350A212-I359 CarbonylContact C-O 3.43Å; A212-I359 WeakPolarHBondContact CA-O 3.32Å; L213-I359 HydrophobicContact CB-CB 4.39Å; L213-I359 PolarHBondContact N-O 3.09Å; L213-I359 PolarHBondContact O-N 3.15Å; C215-I359 WeakPolarHBondContact O-CD1 3.23Å; C215-I359 VanDerWaalsContact O-CG1 3.32Å; C215-I359 WeakPolarHBondContact O-CG1 3.19Å; M303-I359 HydrophobicContact SD-CD1 4.34Å; V305-I359 HydrophobicContact CB-CD1 4.17Å; V305-I359 HydrophobicContact CG1-CD1 3.79Å; V305-I359 HydrophobicContact CG2-CD1 3.23Å; V348-I359 HydrophobicContact CG1-CG2 3.69Å; S349-I359 CarbonylContact O-C 3.5Å; S349-I359 WeakPolarHBondContact O-CA 2.76Å; Q350-I359 HydrophobicContact CB-CG1 4.43Å; Q350-I359 HydrophobicContact CG-CG1 4.43Å
360I93.3Very high87.2Confident0 Ų050.7 Ų50.70%025%0.253CS..EExtended strand (participates in β ladder)trans-111120.1-177.7-60.4170.7000108.4I208 A212 V348 S349 E351 I353 R362I208-I360 HydrophobicContact CD1-CD1 3.79Å; I208-I360 HydrophobicContact CD1-CG1 4.11Å; I208-I360 HydrophobicContact CD1-CG2 4.26Å; I208-I360 HydrophobicContact CG2-CG2 3.59Å; A212-I360 HydrophobicContact CB-CG1 4.39Å; V348-I360 WeakPolarHBondContact CA-O 3.31Å; S349-I360 PolarHBondContact N-O 2.96Å; S349-I360 PolarHBondContact O-N 3.45Å; E351-I360 HydrophobicContact CB-CD1 3.9Å; E351-I360 HydrophobicContact CG-CD1 4.14Å; I353-I360 HydrophobicContact CD1-CD1 4.04Å; I360-R362 HydrophobicContact CG2-CG 3.76Å
361L92.4Very high87.2Confident0 Ų049.5 Ų49.50%025%0.247CC..EExtended strand (participates in β ladder)trans-95.8115.9170-177.5159000108.6G210 Y211 I231 M316 T320 A345 V348 P364G210-L361 CarbonylContact C-O 3.56Å; G210-L361 WeakPolarHBondContact CA-O 3.37Å; Y211-L361 PolarHBondContact N-O 3.37Å; Y211-L361 WeakPolarHBondContact O-CB 3.22Å; Y211-L361 PolarHBondContact O-N 3.38Å; I231-L361 HydrophobicContact CD1-CD1 3.34Å; I231-L361 HydrophobicContact CD1-CG 4.33Å; M316-L361 HydrophobicContact CE-CB 3.91Å; M316-L361 HydrophobicContact CE-CD1 3.38Å; M316-L361 HydrophobicContact CE-CG 4.32Å; T320-L361 HydrophobicContact CG2-CD1 3.56Å; T320-L361 HydrophobicContact CG2-CD2 4.23Å; A345-L361 HydrophobicContact CB-CD1 4.03Å; A345-L361 HydrophobicContact CB-CD2 3.78Å; A345-L361 HydrophobicContact CB-CG 3.75Å; V348-L361 HydrophobicContact CG2-CB 4.37Å; V348-L361 HydrophobicContact CG2-CD1 4.45Å; V348-L361 HydrophobicContact CG2-CG 4.19Å; L361-P364 HydrophobicContact CD2-CB 4.01Å; L361-P364 HydrophobicContact CD2-CG 4.4Å
362R91.2Very high87.4Confident102 Ų10246.6 Ų46.639%0.38523%0.233SC..EExtended strand (participates in β ladder)trans-106.2144176.6-55.3-173.9-173.6-137.63.9110.8E346 E347 E351 I360E346-R362 PolarHBondContact N-O 3.14Å; E347-R362 PolarHBondContact N-O 3.14Å; E347-R362 PolarHBondContact O-N 3.2Å; E351-R362 IonicContact OE1-CZ 2.72Å; E351-R362 IonicContact OE1-NE 2.63Å; E351-R362 IonicContact OE1-NH2 3.32Å; E351-R362 PolarHBondContact OE1-NH2 3.03Å; E351-R362 IonicContact OE2-NH2 3.86Å; E351-R362 PolarHBondContact OE2-NH2 3.49Å; I360-R362 HydrophobicContact CG2-CG 3.76Å
363G85.5Confident87.6Confident19 Ų1938.6 Ų38.620%0.19620%0.203CC..EExtended strand (participates in β ladder)trans62.361.9175.200000114.6E346E346-G363 PolarHBondContact N-O 2.93Å
364P84.8Confident88Confident21 Ų2138.3 Ų38.314%0.13620%0.202CC..EExtended strand (participates in β ladder)trans-64.9137.1168.629.6-34.7000110.7A319 T320 L361 H367A319-P364 HydrophobicContact CB-CB 3.9Å; A319-P364 HydrophobicContact CB-CG 4.38Å; A319-P364 WeakPolarHBondContact O-CB 3.37Å; T320-P364 HydrophobicContact CG2-CB 4.34Å; L361-P364 HydrophobicContact CD2-CB 4.01Å; L361-P364 HydrophobicContact CD2-CG 4.4Å; P364-H367 WeakPolarHBondContact CG-O 3.38Å
365K80.3Confident88.4Confident144 Ų14437 Ų3763%0.62619%0.19SC*.SBendtrans-79.8-25-172.5-68.9-167.6-175.81760115.9N344N344-K365 HydrophobicContact CB-CD 3.72Å; N344-K365 HydrophobicContact CB-CG 4.22Å; N344-K365 PolarHBondContact O-N 3.4Å
366V80.9Confident88.7Confident78 Ų7831.9 Ų31.947%0.47316%0.163SC..SBendtrans-100.8-61.7-168.2-178.50000111.3A319A319-V366 WeakPolarHBondContact O-CB 3.39Å; A319-V366 PolarHBondContact O-N 3.49Å; A319-V366 VanDerWaalsContact O-N 3.17Å
367H80.2Confident88.8Confident80 Ų8033.2 Ų33.237%0.3718%0.182SC..SBendtrans-119.2128.4175.4-62.5-60.3000108.9K318 A319 P364 S369K318-H367 PolarHBondContact O-CD2 3.22Å; A319-H367 WeakPolarHBondContact CA-O 3.31Å; A319-H367 PolarHBondContact O-N 3.33Å; P364-H367 WeakPolarHBondContact CG-O 3.38Å; H367-S369 PolarHBondContact O-N 2.93Å
368P80.8Confident88.8Confident72 Ų7233.9 Ų33.947%0.46819%0.188SC..  trans-61.2139.9170.527.4-33.6000109.5A175A175-P368 CarbonylContact O-C 3.51Å; A175-P368 WeakPolarHBondContact O-CB 3.38Å; A175-P368 WeakPolarHBondContact O-CG 3.32Å
369S85.2Confident88.6Confident8 Ų837.9 Ų37.96%0.05621%0.209CC..  trans-129.1147.1176.3620000107.8G210 H367G210-S369 CarbonylContact C-O 3.46Å; G210-S369 VanDerWaalsContact C-OG 3.29Å; G210-S369 WeakPolarHBondContact CA-O 3.47Å; G210-S369 PolarHBondContact N-O 2.99Å; G210-S369 CarbonylContact O-C 3.56Å; G210-S369 PolarHBondContact O-OG 3.43Å; H367-S369 PolarHBondContact O-N 2.93Å
370A90.4Very high88.4Confident0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-121.7148.117600000109.8A172 A175 V176 V192 N193 L207 G210A172-A370 HydrophobicContact CB-CB 4Å; A175-A370 HydrophobicContact CB-CB 4.22Å; V176-A370 HydrophobicContact CG1-CB 4.35Å; V192-A370 WeakPolarHBondContact CA-O 3.28Å; N193-A370 PolarHBondContact N-O 3.18Å; N193-A370 VanDerWaalsContact N-O 3.13Å; L207-A370 HydrophobicContact CD1-CB 4.2Å; G210-A370 CarbonylContact O-C 3.58Å; G210-A370 WeakPolarHBondContact O-CA 3.41Å; G210-A370 PolarHBondContact O-N 2.98Å
371S92.7Very high88.1Confident0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-131136.7170.3-600000110.1N193 I208 G210 Y211 A212N193-S371 CarbonylContact O-C 3.55Å; N193-S371 VanDerWaalsContact O-CA 3.23Å; N193-S371 WeakPolarHBondContact O-CA 3.2Å; I208-S371 PolarHBondContact N-O 2.8Å; I208-S371 PolarHBondContact O-N 3.35Å; G210-S371 PolarHBondContact O-N 2.96Å; G210-S371 VanDerWaalsContact O-N 3.08Å; G210-S371 PolarHBondContact O-OG 3.44Å; Y211-S371 VanDerWaalsContact CA-OG 3.23Å; Y211-S371 WeakPolarHBondContact CA-OG 3.42Å; A212-S371 PolarHBondContact N-OG 3.37Å
372I94Very high88.1Confident0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-109.5124176.2-64.1170.3000107.5M168 A172 V192 N193 I194 L195 L207 L374 L389M168-I372 HydrophobicContact CG-CD1 3.91Å; M168-I372 HydrophobicContact CG-CG1 4.02Å; M168-I372 HydrophobicContact CG-CG2 4.48Å; M168-I372 HydrophobicContact SD-CB 4.33Å; M168-I372 HydrophobicContact SD-CD1 4.27Å; M168-I372 HydrophobicContact SD-CG1 4.05Å; M168-I372 HydrophobicContact SD-CG2 3.45Å; M168-I372 WeakPolarHBondContact SD-CG2 3.5Å; A172-I372 HydrophobicContact CB-CD1 3.84Å; A172-I372 HydrophobicContact CB-CG1 4.34Å; V192-I372 HydrophobicContact CG1-CD1 4.1Å; V192-I372 HydrophobicContact CG1-CG1 4.38Å; N193-I372 PolarHBondContact O-N 3.3Å; I194-I372 WeakPolarHBondContact CA-O 3.45Å; L195-I372 PolarHBondContact N-O 2.94Å; L207-I372 HydrophobicContact CD1-CD1 4.48Å; L207-I372 HydrophobicContact CD1-CG1 3.73Å; I372-L374 HydrophobicContact CG2-CD2 3.77Å; I372-L374 HydrophobicContact CG2-CG 4.2Å; I372-L389 HydrophobicContact CB-CD2 4.15Å; I372-L389 HydrophobicContact CD1-CD1 4.35Å; I372-L389 HydrophobicContact CD1-CD2 3.71Å; I372-L389 HydrophobicContact CD1-CG 4.44Å; I372-L389 HydrophobicContact CG2-CD2 3.62Å
373I93.7Very high88Confident0 Ų042.3 Ų42.30%023%0.233CC..EExtended strand (participates in β ladder)trans-104.2109.9174.4-55.5-165.3000107.8L195 A197 S205 M206 I208 A212 I353 L358L195-I373 HydrophobicContact CB-CG1 4.33Å; L195-I373 HydrophobicContact CD1-CD1 4.47Å; A197-I373 HydrophobicContact CB-CG2 4.27Å; S205-I373 VanDerWaalsContact CA-O 3.27Å; S205-I373 WeakPolarHBondContact CA-O 3.32Å; S205-I373 WeakPolarHBondContact CB-O 3.28Å; M206-I373 HydrophobicContact CE-CB 4.15Å; M206-I373 HydrophobicContact CE-CD1 3.66Å; M206-I373 HydrophobicContact CE-CG1 4.29Å; M206-I373 HydrophobicContact CE-CG2 4.3Å; M206-I373 HydrophobicContact CG-CB 4Å; M206-I373 PolarHBondContact N-O 3.15Å; M206-I373 PolarHBondContact O-N 3.42Å; I208-I373 HydrophobicContact CD1-CD1 3.34Å; I208-I373 HydrophobicContact CD1-CG1 3.83Å; A212-I373 HydrophobicContact CB-CD1 4.19Å; I353-I373 HydrophobicContact CD1-CD1 3.65Å; I353-I373 HydrophobicContact CG2-CG2 4.25Å; L358-I373 HydrophobicContact CD1-CD1 3.68Å
374L93.8Very high88.2Confident0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-85129.7179.2-64.2-179.9000110.3F165 I194 L195 A197 I372 V382 M385 E386 L389F165-L374 HydrophobicContact CE1-CD2 3.78Å; I194-L374 HydrophobicContact CG2-CD1 3.53Å; I194-L374 HydrophobicContact CG2-CG 3.89Å; L195-L374 PolarHBondContact O-N 2.94Å; A197-L374 PolarHBondContact N-O 3.32Å; I372-L374 HydrophobicContact CG2-CD2 3.77Å; I372-L374 HydrophobicContact CG2-CG 4.2Å; L374-V382 HydrophobicContact CB-CG1 3.98Å; L374-M385 HydrophobicContact CD1-CB 4.07Å; L374-M385 HydrophobicContact CD2-CE 4.28Å; L374-E386 VanDerWaalsContact CD1-CA 3.42Å; L374-E386 HydrophobicContact CD1-CB 3.9Å; L374-L389 HydrophobicContact CD1-CD2 4.29Å; L374-L389 HydrophobicContact CD2-CD2 3.89Å; L374-L389 HydrophobicContact CG-CD2 4.4Å
375R90.9Very high88.5Confident22 Ų2240.5 Ų40.58%0.08322%0.217CC..EExtended strand (participates in β ladder)trans-111.9146.3174.3-69.3-165.5178.9167.32.8110.5A197 G199 S201 M202 E204 S205 M385A197-R375 WeakPolarHBondContact O-CA 3.46Å; G199-R375 WeakPolarHBondContact O-CB 3.37Å; S201-R375 WeakPolarHBondContact O-CB 3.4Å; M202-R375 VanDerWaalsContact CA-O 3.3Å; M202-R375 WeakPolarHBondContact CA-O 3.35Å; E204-R375 WeakPolarHBondContact O-CD 3.24Å; E204-R375 IonicContact OE2-NH1 3.46Å; E204-R375 PolarHBondContact OE2-NH1 3.45Å; E204-R375 VanDerWaalsContact OE2-NH1 3.16Å; S205-R375 PolarHBondContact OG-N 3.22Å; R375-M385 WeakPolarHBondContact O-CE 3.27Å
376G89.8Confident89Confident1 Ų136.4 Ų36.41%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-171.7170.2-178.300000112.2G199G199-G376 PolarHBondContact N-O 3.42Å
377A89.4Confident89.4Confident89 Ų8935.8 Ų35.874%0.73619%0.189SC*.SBendtrans-67.7-38.5-172.100000113.5
378N89.5Confident89.9Confident73 Ų7332 Ų3239%0.3917%0.172SC..SBendtrans-149.6168.6-179.963.39.3000110.5F380 Y381 V382N378-F380 VanDerWaalsContact C-N 3.34Å; N378-F380 PolarHBondContact O-N 3.12Å; N378-Y381 PolarHBondContact O-N 3.18Å; N378-Y381 WeakPolarHBondContact OD1-CB 3.31Å; N378-Y381 PolarHBondContact OD1-N 3.2Å; N378-V382 WeakPolarHBondContact O-CG2 3.21Å; N378-V382 PolarHBondContact O-N 3.25Å; N378-V382 VanDerWaalsContact O-N 3.09Å
379D89.3Confident90.4Very high86 Ų8628.6 Ų28.646%0.4615%0.15SC..Hα-helixtrans-62.6-39.2-176.4-62.8-31.9000112.4H198 Y381 V382 D383H198-D379 IonicContact CE1-OD1 3.52Å; H198-D379 IonicContact CG-OD1 3.81Å; H198-D379 IonicContact ND1-OD1 2.74Å; H198-D379 PolarHBondContact ND1-OD1 3.1Å; H198-D379 IonicContact ND1-OD2 2.92Å; D379-Y381 VanDerWaalsContact C-N 3.27Å; D379-Y381 PolarHBondContact O-N 3.22Å; D379-V382 PolarHBondContact O-N 2.97Å; D379-V382 VanDerWaalsContact O-N 3.17Å; D379-D383 WeakPolarHBondContact O-CB 3.36Å; D379-D383 VanDerWaalsContact O-CG 3.26Å; D379-D383 PolarHBondContact O-N 3.32Å
380F88.1Confident90.7Very high89 Ų8931.8 Ų31.839%0.3916%0.163SC..Hα-helixtrans-56.7-41.3176.5-56.8-61000112.7V49 N378 E384V49-F380 HydrophobicContact CB-CD1 4.44Å; V49-F380 HydrophobicContact CB-CE1 4.09Å; V49-F380 HydrophobicContact CB-CZ 4.33Å; V49-F380 WeakPolarHBondContact O-CD1 3.41Å; V49-F380 WeakPolarHBondContact O-CE1 3.38Å; N378-F380 VanDerWaalsContact C-N 3.34Å; N378-F380 PolarHBondContact O-N 3.12Å; F380-E384 PolarHBondContact O-N 3.24Å
381Y87.9Confident90.7Very high57 Ų5732.2 Ų32.222%0.22417%0.166CC..Hα-helixtrans-71.3-43.6178.4-164.2-93.7000110.9L157 M202 N378 D379 D383 E384 M385L157-Y381 HydrophobicContact CB-CE2 4.12Å; L157-Y381 HydrophobicContact CD1-CD2 3.84Å; L157-Y381 HydrophobicContact CD1-CE2 3.79Å; L157-Y381 HydrophobicContact CD2-CE2 4.25Å; L157-Y381 HydrophobicContact CG-CE2 4.28Å; M202-Y381 HydrophobicContact SD-CE1 4.1Å; M202-Y381 PolarHBondContact SD-OH 3.09Å; M202-Y381 VanDerWaalsContact SD-OH 3.33Å; N378-Y381 PolarHBondContact O-N 3.18Å; N378-Y381 WeakPolarHBondContact OD1-CB 3.31Å; N378-Y381 PolarHBondContact OD1-N 3.2Å; D379-Y381 VanDerWaalsContact C-N 3.27Å; D379-Y381 PolarHBondContact O-N 3.22Å; Y381-D383 VanDerWaalsContact C-N 3.32Å; Y381-D383 PolarHBondContact O-N 3.21Å; Y381-E384 PolarHBondContact O-N 3.15Å; Y381-M385 HydrophobicContact CD1-CG 3.97Å; Y381-M385 HydrophobicContact CD1-SD 3.47Å; Y381-M385 WeakPolarHBondContact CD1-SD 3.32Å; Y381-M385 HydrophobicContact CE1-CG 3.99Å; Y381-M385 HydrophobicContact CE1-SD 3.52Å; Y381-M385 VanDerWaalsContact CE1-SD 3.52Å; Y381-M385 VanDerWaalsContact O-CG 3.25Å; Y381-M385 WeakPolarHBondContact O-CG 3.49Å; Y381-M385 PolarHBondContact O-N 3.38Å
382V91.1Very high90.6Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-66.5-34.7179.4-1790000111.8K196 L374 N378 D379 M385 E386K196-V382 HydrophobicContact CB-CG1 3.52Å; K196-V382 HydrophobicContact CD-CG1 4.16Å; K196-V382 HydrophobicContact CG-CG1 3.75Å; L374-V382 HydrophobicContact CB-CG1 3.98Å; N378-V382 WeakPolarHBondContact O-CG2 3.21Å; N378-V382 PolarHBondContact O-N 3.25Å; N378-V382 VanDerWaalsContact O-N 3.09Å; D379-V382 PolarHBondContact O-N 2.97Å; D379-V382 VanDerWaalsContact O-N 3.17Å; V382-M385 WeakPolarHBondContact O-CB 3.5Å; V382-M385 PolarHBondContact O-N 3.01Å; V382-E386 PolarHBondContact O-N 2.81Å
383D90.3Very high90.6Very high50 Ų5032.3 Ų32.327%0.26717%0.166SC..Hα-helixtrans-61.3-44.6173.8-77.7-10.7000111.7K196 D379 Y381 E386 R387K196-D383 WeakPolarHBondContact CD-OD1 3.37Å; K196-D383 WeakPolarHBondContact CE-OD1 3.25Å; K196-D383 IonicContact NZ-OD1 2.64Å; K196-D383 PolarHBondContact NZ-OD1 2.96Å; D379-D383 WeakPolarHBondContact O-CB 3.36Å; D379-D383 VanDerWaalsContact O-CG 3.26Å; D379-D383 PolarHBondContact O-N 3.32Å; Y381-D383 VanDerWaalsContact C-N 3.32Å; Y381-D383 PolarHBondContact O-N 3.21Å; D383-E386 PolarHBondContact O-N 2.96Å; D383-R387 WeakPolarHBondContact O-CG 3.08Å; D383-R387 PolarHBondContact O-N 3.33Å; D383-R387 VanDerWaalsContact O-N 3.16Å
384E88.9Confident90.5Very high1 Ų133 Ų331%0.00517%0.17CC..Hα-helixtrans-71-32.8176.5-173.760.7-174.400112.1T52 N53 L157 F380 Y381 R387 S388T52-E384 VanDerWaalsContact CA-CD 3.49Å; T52-E384 WeakPolarHBondContact CA-OE1 3.45Å; T52-E384 WeakPolarHBondContact CA-OE2 3.35Å; T52-E384 WeakPolarHBondContact CB-OE2 3.2Å; T52-E384 PolarHBondContact OG1-OE1 3.35Å; T52-E384 VanDerWaalsContact OG1-OE1 3.08Å; T52-E384 PolarHBondContact OG1-OE2 3.39Å; N53-E384 PolarHBondContact N-OE1 2.96Å; N53-E384 VanDerWaalsContact N-OE1 3.11Å; L157-E384 HydrophobicContact CD1-CB 3.9Å; L157-E384 HydrophobicContact CD1-CG 3.64Å; L157-E384 HydrophobicContact CG-CG 4.19Å; F380-E384 PolarHBondContact O-N 3.24Å; Y381-E384 PolarHBondContact O-N 3.15Å; E384-R387 PolarHBondContact O-N 2.64Å; E384-R387 IonicContact OE2-CZ 3.25Å; E384-R387 IonicContact OE2-NH1 2.79Å; E384-R387 PolarHBondContact OE2-NH1 3.38Å; E384-S388 VanDerWaalsContact O-CB 3.27Å; E384-S388 WeakPolarHBondContact O-CB 3.32Å; E384-S388 PolarHBondContact O-N 3.04Å; E384-S388 PolarHBondContact O-OG 2.79Å
385M91.2Very high90.4Very high1 Ų133.1 Ų33.11%0.00517%0.171CC..Hα-helixtrans-62.5-42.9171.5-69175.866.100112I158 F165 M202 L374 R375 Y381 V382 S388 L389I158-M385 HydrophobicContact CG2-CB 3.98Å; I158-M385 HydrophobicContact CG2-CE 4.37Å; I158-M385 HydrophobicContact CG2-CG 3.68Å; F165-M385 HydrophobicContact CE1-CE 4.08Å; F165-M385 HydrophobicContact CE2-CE 4.15Å; F165-M385 HydrophobicContact CZ-CE 3.41Å; F165-M385 VanDerWaalsContact CZ-CE 3.41Å; M202-M385 HydrophobicContact CB-CE 3.66Å; M202-M385 HydrophobicContact CB-SD 4.13Å; L374-M385 HydrophobicContact CD1-CB 4.07Å; L374-M385 HydrophobicContact CD2-CE 4.28Å; R375-M385 WeakPolarHBondContact O-CE 3.27Å; Y381-M385 HydrophobicContact CD1-CG 3.97Å; Y381-M385 HydrophobicContact CD1-SD 3.47Å; Y381-M385 WeakPolarHBondContact CD1-SD 3.32Å; Y381-M385 HydrophobicContact CE1-CG 3.99Å; Y381-M385 HydrophobicContact CE1-SD 3.52Å; Y381-M385 VanDerWaalsContact CE1-SD 3.52Å; Y381-M385 VanDerWaalsContact O-CG 3.25Å; Y381-M385 WeakPolarHBondContact O-CG 3.49Å; Y381-M385 PolarHBondContact O-N 3.38Å; V382-M385 WeakPolarHBondContact O-CB 3.5Å; V382-M385 PolarHBondContact O-N 3.01Å; M385-S388 PolarHBondContact O-N 3.24Å; M385-L389 VanDerWaalsContact O-CB 3.29Å; M385-L389 WeakPolarHBondContact O-CB 3.25Å; M385-L389 PolarHBondContact O-N 2.97Å
386E91.9Very high90.5Very high57 Ų5732.1 Ų32.127%0.26617%0.167SC..Hα-helixtrans-59-50.1176.3177.9-168.4-14400110.7I194 K196 L374 V382 D383 S388 L389 H390I194-E386 HydrophobicContact CB-CG 4.37Å; I194-E386 HydrophobicContact CD1-CG 4.46Å; I194-E386 HydrophobicContact CG2-CB 4.36Å; I194-E386 HydrophobicContact CG2-CG 3.9Å; K196-E386 WeakPolarHBondContact CE-OE2 3.45Å; K196-E386 IonicContact NZ-OE2 3.94Å; K196-E386 PolarHBondContact NZ-OE2 3.34Å; L374-E386 VanDerWaalsContact CD1-CA 3.42Å; L374-E386 HydrophobicContact CD1-CB 3.9Å; V382-E386 PolarHBondContact O-N 2.81Å; D383-E386 PolarHBondContact O-N 2.96Å; E386-S388 PolarHBondContact O-N 3.2Å; E386-L389 PolarHBondContact O-N 3.07Å; E386-H390 VanDerWaalsContact O-CB 3.31Å; E386-H390 WeakPolarHBondContact O-CB 3.36Å; E386-H390 PolarHBondContact O-N 2.74Å
387R88.6Confident90.6Very high66 Ų6633.8 Ų33.825%0.24917%0.174CC..Hα-helixtrans-58.3-49.5177.7-67.8-179.5-161.1138.8-1.2111D383 E384 L389 H390 D391D383-R387 WeakPolarHBondContact O-CG 3.08Å; D383-R387 PolarHBondContact O-N 3.33Å; D383-R387 VanDerWaalsContact O-N 3.16Å; E384-R387 PolarHBondContact O-N 2.64Å; E384-R387 IonicContact OE2-CZ 3.25Å; E384-R387 IonicContact OE2-NH1 2.79Å; E384-R387 PolarHBondContact OE2-NH1 3.38Å; R387-L389 VanDerWaalsContact C-N 3.3Å; R387-L389 PolarHBondContact O-N 3.36Å; R387-H390 WeakPolarHBondContact O-CB 3.48Å; R387-H390 PolarHBondContact O-N 2.93Å; R387-H390 VanDerWaalsContact O-N 3.14Å; R387-D391 VanDerWaalsContact O-CG 3.25Å; R387-D391 PolarHBondContact O-N 2.79Å
388S90Very high90.6Very high0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-59.2-41.7-178.9-59.30000112.7K156 E384 M385 E386 A392K156-S388 WeakPolarHBondContact CB-OG 3.49Å; K156-S388 VanDerWaalsContact CD-CB 3.48Å; K156-S388 VanDerWaalsContact CD-OG 3.31Å; K156-S388 WeakPolarHBondContact CD-OG 3.44Å; E384-S388 VanDerWaalsContact O-CB 3.27Å; E384-S388 WeakPolarHBondContact O-CB 3.32Å; E384-S388 PolarHBondContact O-N 3.04Å; E384-S388 PolarHBondContact O-OG 2.79Å; M385-S388 PolarHBondContact O-N 3.24Å; E386-S388 PolarHBondContact O-N 3.2Å; S388-A392 PolarHBondContact O-N 3.4Å
389L92Very high90.7Very high1 Ų128.1 Ų28.11%0.00513%0.128CC..Hα-helixtrans-69.4-42.3176.5177.863.9000111.6M153 A169 I194 I372 L374 M385 E386 R387 D391 A392 L393M153-L389 HydrophobicContact CE-CD1 4.04Å; A169-L389 HydrophobicContact CB-CD1 3.95Å; I194-L389 HydrophobicContact CD1-CD2 4.07Å; I194-L389 HydrophobicContact CD1-CG 4.33Å; I194-L389 HydrophobicContact CG1-CD2 4.4Å; I194-L389 HydrophobicContact CG2-CD2 4.4Å; I372-L389 HydrophobicContact CB-CD2 4.15Å; I372-L389 HydrophobicContact CD1-CD1 4.35Å; I372-L389 HydrophobicContact CD1-CD2 3.71Å; I372-L389 HydrophobicContact CD1-CG 4.44Å; I372-L389 HydrophobicContact CG2-CD2 3.62Å; L374-L389 HydrophobicContact CD1-CD2 4.29Å; L374-L389 HydrophobicContact CD2-CD2 3.89Å; L374-L389 HydrophobicContact CG-CD2 4.4Å; M385-L389 VanDerWaalsContact O-CB 3.29Å; M385-L389 WeakPolarHBondContact O-CB 3.25Å; M385-L389 PolarHBondContact O-N 2.97Å; E386-L389 PolarHBondContact O-N 3.07Å; R387-L389 VanDerWaalsContact C-N 3.3Å; R387-L389 PolarHBondContact O-N 3.36Å; L389-D391 VanDerWaalsContact C-N 3.31Å; L389-D391 PolarHBondContact O-N 3.39Å; L389-A392 PolarHBondContact O-N 3.33Å; L389-L393 HydrophobicContact CD1-CG 4.43Å; L389-L393 HydrophobicContact CG-CD1 4.16Å; L389-L393 HydrophobicContact CG-CG 4.44Å; L389-L393 VanDerWaalsContact O-CG 3.28Å; L389-L393 WeakPolarHBondContact O-CG 3.49Å; L389-L393 PolarHBondContact O-N 3.08Å
390H91.1Very high90.7Very high74 Ų7425.2 Ų25.234%0.34311%0.113SC..Hα-helixtrans-58.4-43.6177.6178.1-95.1000111.8E386 R387 L393 L394E386-H390 VanDerWaalsContact O-CB 3.31Å; E386-H390 WeakPolarHBondContact O-CB 3.36Å; E386-H390 PolarHBondContact O-N 2.74Å; R387-H390 WeakPolarHBondContact O-CB 3.48Å; R387-H390 PolarHBondContact O-N 2.93Å; R387-H390 VanDerWaalsContact O-N 3.14Å; H390-L393 WeakPolarHBondContact O-CB 3.36Å; H390-L393 PolarHBondContact O-N 2.99Å; H390-L394 WeakPolarHBondContact CE1-CD1 3.07Å; H390-L394 PolarHBondContact O-N 3.44Å
391D90.3Very high90.7Very high10 Ų1024.9 Ų24.95%0.05311%0.112CC..Hα-helixtrans-64.1-43.6176.5-62.5-10000111.3G84 K156 R387 L389 L393 L394 V395G84-D391 WeakPolarHBondContact O-CB 3.41Å; K156-D391 VanDerWaalsContact NZ-CG 3.3Å; K156-D391 IonicContact NZ-OD2 2.67Å; K156-D391 PolarHBondContact NZ-OD2 3.21Å; R387-D391 VanDerWaalsContact O-CG 3.25Å; R387-D391 PolarHBondContact O-N 2.79Å; L389-D391 VanDerWaalsContact C-N 3.31Å; L389-D391 PolarHBondContact O-N 3.39Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 PolarHBondContact O-N 3.02Å; D391-L394 WeakPolarHBondContact O-CB 3.24Å; D391-L394 PolarHBondContact O-N 3.14Å; D391-L394 VanDerWaalsContact O-N 3.14Å; D391-V395 VanDerWaalsContact O-CG2 3.31Å; D391-V395 WeakPolarHBondContact O-CG2 3.19Å; D391-V395 PolarHBondContact O-N 3.04Å
392A91.4Very high90.7Very high0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-62.3-38.9175.800000112.2A152 M153 S388 L389 L394 V395 V396A152-A392 HydrophobicContact CB-CB 4.39Å; M153-A392 HydrophobicContact CE-CB 3.27Å; M153-A392 HydrophobicContact CG-CB 3.85Å; M153-A392 HydrophobicContact SD-CB 4.42Å; S388-A392 PolarHBondContact O-N 3.4Å; L389-A392 PolarHBondContact O-N 3.33Å; A392-L394 VanDerWaalsContact C-N 3.35Å; A392-V395 PolarHBondContact O-N 2.93Å; A392-V396 VanDerWaalsContact O-CG2 3.3Å; A392-V396 WeakPolarHBondContact O-CG2 3.32Å; A392-V396 PolarHBondContact O-N 3.32Å
393L92.9Very high90.6Very high1 Ų128.7 Ų28.71%0.00513%0.134CC..Hα-helixtrans-62.7-41.1173.6-69.3168.1000111.4A169 L173 V192 I194 L389 H390 D391 K397A169-L393 HydrophobicContact CB-CD2 3.84Å; A169-L393 HydrophobicContact CB-CG 4.39Å; A169-L393 WeakPolarHBondContact O-CD2 3.3Å; L173-L393 HydrophobicContact CD1-CB 4.31Å; L173-L393 HydrophobicContact CD1-CD2 3.8Å; L173-L393 WeakPolarHBondContact CD1-O 3.49Å; L173-L393 HydrophobicContact CD2-CD2 4.26Å; L173-L393 HydrophobicContact CG-CD2 3.64Å; V192-L393 HydrophobicContact CG1-CD1 4.27Å; I194-L393 HydrophobicContact CD1-CD1 3.98Å; L389-L393 HydrophobicContact CD1-CG 4.43Å; L389-L393 HydrophobicContact CG-CD1 4.16Å; L389-L393 HydrophobicContact CG-CG 4.44Å; L389-L393 VanDerWaalsContact O-CG 3.28Å; L389-L393 WeakPolarHBondContact O-CG 3.49Å; L389-L393 PolarHBondContact O-N 3.08Å; H390-L393 WeakPolarHBondContact O-CB 3.36Å; H390-L393 PolarHBondContact O-N 2.99Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 PolarHBondContact O-N 3.02Å; L393-K397 WeakPolarHBondContact O-CB 3.14Å; L393-K397 PolarHBondContact O-N 2.85Å
394L91.7Very high90.6Very high16 Ų1632.2 Ų32.28%0.08414%0.144CC..Hα-helixtrans-61.4-48.3174.9-80.9164.9000111.6I189 H390 D391 A392 V396 K397 R398I189-L394 HydrophobicContact CD1-CB 4.44Å; I189-L394 HydrophobicContact CD1-CD2 3.16Å; I189-L394 HydrophobicContact CD1-CG 3.69Å; H390-L394 WeakPolarHBondContact CE1-CD1 3.07Å; H390-L394 PolarHBondContact O-N 3.44Å; D391-L394 WeakPolarHBondContact O-CB 3.24Å; D391-L394 PolarHBondContact O-N 3.14Å; D391-L394 VanDerWaalsContact O-N 3.14Å; A392-L394 VanDerWaalsContact C-N 3.35Å; L394-V396 PolarHBondContact O-N 2.91Å; L394-K397 WeakPolarHBondContact O-CB 3.45Å; L394-K397 PolarHBondContact O-N 3.42Å; L394-R398 WeakPolarHBondContact O-CG 3.5Å; L394-R398 PolarHBondContact O-N 3.47Å
395V92.5Very high90.8Very high1 Ų132.1 Ų32.11%0.00614%0.144CC..Hα-helixtrans-58.2-51.8178.3173.90000110.7D85 V148 A152 D391 A392 K397 R398 V399 P503D85-V395 HydrophobicContact CB-CG2 3.37Å; V148-V395 HydrophobicContact CG1-CG1 3.4Å; A152-V395 HydrophobicContact CB-CB 4.13Å; A152-V395 HydrophobicContact CB-CG1 4.16Å; A152-V395 HydrophobicContact CB-CG2 3.86Å; D391-V395 VanDerWaalsContact O-CG2 3.31Å; D391-V395 WeakPolarHBondContact O-CG2 3.19Å; D391-V395 PolarHBondContact O-N 3.04Å; A392-V395 PolarHBondContact O-N 2.93Å; V395-K397 VanDerWaalsContact C-N 3.32Å; V395-K397 PolarHBondContact O-N 3.4Å; V395-R398 PolarHBondContact O-N 2.83Å; V395-R398 VanDerWaalsContact O-N 3.09Å; V395-V399 WeakPolarHBondContact O-CG2 3.46Å; V395-V399 PolarHBondContact O-N 3.02Å; V395-P503 HydrophobicContact CB-CG 4.36Å; V395-P503 HydrophobicContact CG1-CG 3.42Å; V395-P503 VanDerWaalsContact CG1-CG 3.42Å
396V92.4Very high91Very high1 Ų132.1 Ų32.11%0.00614%0.143CC..Hα-helixtrans-61.4-41.1180174.60000111.1A149 V170 L173 A392 L394 R398 V399 L400A149-V396 HydrophobicContact CB-CG2 3.61Å; V170-V396 HydrophobicContact CG2-CG1 4.21Å; V170-V396 HydrophobicContact CG2-CG2 4.19Å; L173-V396 HydrophobicContact CD1-CB 3.53Å; L173-V396 HydrophobicContact CD1-CG1 3.48Å; L173-V396 VanDerWaalsContact CD1-CG1 3.48Å; A392-V396 VanDerWaalsContact O-CG2 3.3Å; A392-V396 WeakPolarHBondContact O-CG2 3.32Å; A392-V396 PolarHBondContact O-N 3.32Å; L394-V396 PolarHBondContact O-N 2.91Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-R398 PolarHBondContact O-N 3.43Å; V396-V399 WeakPolarHBondContact O-CB 3.31Å; V396-V399 PolarHBondContact O-N 3.03Å; V396-L400 HydrophobicContact CG1-CD1 4.03Å; V396-L400 HydrophobicContact CG1-CG 4.39Å; V396-L400 WeakPolarHBondContact O-CG 3.31Å; V396-L400 PolarHBondContact O-N 3.36Å
397K91.6Very high91.1Very high36 Ų3629.4 Ų29.416%0.15713%0.131CC..Hα-helixtrans-55.7-47.7172.6168.2-177.9178.1-1780111.7Y187 I189 L393 L394 V395 V399 L400 E401Y187-K397 WeakPolarHBondContact O-CD 3.33Å; Y187-K397 WeakPolarHBondContact O-CE 3.42Å; I189-K397 HydrophobicContact CD1-CB 4.34Å; I189-K397 HydrophobicContact CD1-CD 3.38Å; I189-K397 HydrophobicContact CD1-CG 4.5Å; I189-K397 HydrophobicContact CG1-CD 3.74Å; L393-K397 WeakPolarHBondContact O-CB 3.14Å; L393-K397 PolarHBondContact O-N 2.85Å; L394-K397 WeakPolarHBondContact O-CB 3.45Å; L394-K397 PolarHBondContact O-N 3.42Å; V395-K397 VanDerWaalsContact C-N 3.32Å; V395-K397 PolarHBondContact O-N 3.4Å; K397-V399 VanDerWaalsContact C-N 3.25Å; K397-V399 PolarHBondContact O-N 3.07Å; K397-L400 PolarHBondContact O-N 3.2Å; K397-E401 WeakPolarHBondContact CE-OE1 3.49Å; K397-E401 HydrophobicContact CG-CG 4.32Å; K397-E401 IonicContact NZ-OE1 3.62Å; K397-E401 WeakPolarHBondContact O-CG 3.35Å; K397-E401 PolarHBondContact O-N 2.83Å
398R90.5Very high91.3Very high43 Ų4326.2 Ų26.216%0.16212%0.119CC..Hα-helixtrans-63-34.5179.9-63.9-43.9-175.9177.92.9112.2E82 L394 V395 V396 E401 S402 P503E82-R398 PolarHBondContact O-NE 3.44Å; E82-R398 PolarHBondContact O-NH2 2.94Å; L394-R398 WeakPolarHBondContact O-CG 3.5Å; L394-R398 PolarHBondContact O-N 3.47Å; V395-R398 PolarHBondContact O-N 2.83Å; V395-R398 VanDerWaalsContact O-N 3.09Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-R398 PolarHBondContact O-N 3.43Å; R398-E401 IonicContact NH1-OE2 3.69Å; R398-E401 PolarHBondContact NH1-OE2 3.46Å; R398-S402 VanDerWaalsContact O-CB 3.31Å; R398-S402 WeakPolarHBondContact O-CB 3.49Å; R398-S402 PolarHBondContact O-N 3.45Å; R398-S402 PolarHBondContact O-OG 3.32Å; R398-P503 HydrophobicContact CB-CB 4.35Å
399V91.4Very high91.4Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-66.8-44174.8179.40000111.3V137 L145 V148 V395 V396 K397 K403 I405 P503V137-V399 HydrophobicContact CB-CG1 4.22Å; V137-V399 HydrophobicContact CG1-CG1 3.86Å; V137-V399 HydrophobicContact CG2-CG1 3.41Å; V137-V399 VanDerWaalsContact CG2-CG1 3.41Å; L145-V399 HydrophobicContact CD2-CB 4.32Å; L145-V399 HydrophobicContact CD2-CG1 3.67Å; V148-V399 HydrophobicContact CB-CG2 4.33Å; V148-V399 HydrophobicContact CG1-CG2 3.65Å; V148-V399 HydrophobicContact CG2-CG2 4.3Å; V395-V399 WeakPolarHBondContact O-CG2 3.46Å; V395-V399 PolarHBondContact O-N 3.02Å; V396-V399 WeakPolarHBondContact O-CB 3.31Å; V396-V399 PolarHBondContact O-N 3.03Å; K397-V399 VanDerWaalsContact C-N 3.25Å; K397-V399 PolarHBondContact O-N 3.07Å; V399-K403 WeakPolarHBondContact O-CA 3.5Å; V399-K403 PolarHBondContact O-N 3.15Å; V399-I405 HydrophobicContact CG1-CG2 3.79Å; V399-I405 HydrophobicContact CG2-CG2 4.08Å; V399-P503 HydrophobicContact CG2-CB 3.94Å; V399-P503 HydrophobicContact CG2-CG 3.78Å
400L89.7Confident91.5Very high26 Ų2627 Ų2714%0.13613%0.126CC..Hα-helixtrans-66.1-40178.3-69.9169.6000112.2L145 L173 Y187 V396 K397L145-L400 HydrophobicContact CD1-CD2 3.74Å; L145-L400 HydrophobicContact CD2-CD2 3.86Å; L145-L400 HydrophobicContact CD2-CG 4.19Å; L145-L400 HydrophobicContact CG-CD2 4.47Å; L173-L400 HydrophobicContact CB-CD1 4.48Å; Y187-L400 HydrophobicContact CD1-CD1 4.09Å; Y187-L400 HydrophobicContact CD2-CB 3.9Å; Y187-L400 HydrophobicContact CD2-CD1 4.23Å; Y187-L400 HydrophobicContact CE1-CD1 3.84Å; Y187-L400 HydrophobicContact CE2-CB 3.44Å; Y187-L400 VanDerWaalsContact CE2-CB 3.44Å; Y187-L400 HydrophobicContact CE2-CD1 4.02Å; Y187-L400 HydrophobicContact CE2-CG 4.27Å; Y187-L400 HydrophobicContact CG-CD1 4.28Å; V396-L400 HydrophobicContact CG1-CD1 4.03Å; V396-L400 HydrophobicContact CG1-CG 4.39Å; V396-L400 WeakPolarHBondContact O-CG 3.31Å; V396-L400 PolarHBondContact O-N 3.36Å; K397-L400 PolarHBondContact O-N 3.2Å
401E87.9Confident91.6Very high81 Ų8123.5 Ų23.538%0.37911%0.109SC..Hα-helixtrans-67.4-44.3177.1-72.2176.9165.200112.1K397 R398K397-E401 WeakPolarHBondContact CE-OE1 3.49Å; K397-E401 HydrophobicContact CG-CG 4.32Å; K397-E401 IonicContact NZ-OE1 3.62Å; K397-E401 WeakPolarHBondContact O-CG 3.35Å; K397-E401 PolarHBondContact O-N 2.83Å; R398-E401 IonicContact NH1-OE2 3.69Å; R398-E401 PolarHBondContact NH1-OE2 3.46Å
402S87.3Confident91.8Very high37 Ų3723.1 Ų23.126%0.25911%0.108SC..Hα-helixtrans-91.6-21.4-17466.70000114.6R398 R404R398-S402 VanDerWaalsContact O-CB 3.31Å; R398-S402 WeakPolarHBondContact O-CB 3.49Å; R398-S402 PolarHBondContact O-N 3.45Å; R398-S402 PolarHBondContact O-OG 3.32Å; S402-R404 PolarHBondContact O-N 3.08Å; S402-R404 VanDerWaalsContact O-N 3.07Å
403K88.7Confident92Very high100 Ų10023.7 Ų23.744%0.43511%0.11SC..  trans55.716.4-174.8-57.4178.6177.2-1720114.6D136 V137 V399D136-K403 WeakPolarHBondContact CA-O 3.37Å; V137-K403 WeakPolarHBondContact CG2-O 3.39Å; V137-K403 PolarHBondContact N-O 3.44Å; V399-K403 WeakPolarHBondContact O-CA 3.5Å; V399-K403 PolarHBondContact O-N 3.15Å
404R91.5Very high92.1Very high124 Ų12423.7 Ų23.747%0.46811%0.11SC..EExtended strand (participates in β ladder)trans-129.1131.1-176.2-67.3-174.3-177.5-165.43.1112Y135 S402 L504Y135-R404 WeakPolarHBondContact O-CA 3.45Å; S402-R404 PolarHBondContact O-N 3.08Å; S402-R404 VanDerWaalsContact O-N 3.07Å; R404-L504 HydrophobicContact CB-CB 3.92Å; R404-L504 HydrophobicContact CB-CD2 3.69Å; R404-L504 HydrophobicContact CB-CG 4.45Å; R404-L504 HydrophobicContact CG-CD2 4.27Å; R404-L504 WeakPolarHBondContact O-CB 3.46Å; R404-L504 PolarHBondContact O-N 2.89Å; R404-L504 VanDerWaalsContact O-N 3.13Å
405I93.3Very high92.3Very high0 Ų022.9 Ų22.90%011%0.106CC..EExtended strand (participates in β ladder)trans-121.6163.317654.7173.6000110.7A134 Y135 V137 L140 V148 V399 F501 E502A134-I405 CarbonylContact C-O 3.59Å; A134-I405 WeakPolarHBondContact CA-O 3.49Å; Y135-I405 HydrophobicContact CD1-CD1 4.31Å; Y135-I405 HydrophobicContact CD1-CG1 4.4Å; Y135-I405 PolarHBondContact N-O 3.06Å; Y135-I405 WeakPolarHBondContact O-CG1 2.77Å; Y135-I405 PolarHBondContact O-N 2.99Å; V137-I405 HydrophobicContact CG2-CB 4.19Å; V137-I405 HydrophobicContact CG2-CD1 4.31Å; V137-I405 HydrophobicContact CG2-CG1 3.95Å; V137-I405 HydrophobicContact CG2-CG2 3.47Å; V137-I405 VanDerWaalsContact CG2-CG2 3.47Å; L140-I405 HydrophobicContact CD1-CD1 3.49Å; L140-I405 VanDerWaalsContact CD1-CD1 3.49Å; V148-I405 HydrophobicContact CG2-CG2 3.75Å; V399-I405 HydrophobicContact CG1-CG2 3.79Å; V399-I405 HydrophobicContact CG2-CG2 4.08Å; I405-F501 HydrophobicContact CB-CB 4.43Å; I405-F501 HydrophobicContact CD1-CB 4.1Å; I405-F501 HydrophobicContact CD1-CD1 3.71Å; I405-F501 HydrophobicContact CD1-CD2 4.29Å; I405-F501 HydrophobicContact CD1-CE1 4.12Å; I405-F501 HydrophobicContact CD1-CG 3.78Å; I405-F501 HydrophobicContact CG1-CD1 4.39Å; I405-E502 CarbonylContact C-O 3.49Å; I405-E502 VanDerWaalsContact CA-O 3.31Å; I405-E502 WeakPolarHBondContact CA-O 3.17Å
406V94Very high92.5Very high0 Ų022.9 Ų22.90%011%0.106CC..EExtended strand (participates in β ladder)trans-133156.4177.5-67.90000109.3I129 M133 F501 E502 L504 K507I129-V406 HydrophobicContact CG2-CG1 3.95Å; M133-V406 HydrophobicContact CB-CG1 4.45Å; V406-F501 WeakPolarHBondContact O-CA 3.4Å; V406-E502 HydrophobicContact CG2-CB 4.17Å; V406-E502 WeakPolarHBondContact CG2-O 3.13Å; V406-E502 PolarHBondContact N-O 3.31Å; V406-E502 PolarHBondContact O-N 3.16Å; V406-L504 HydrophobicContact CG1-CB 4.13Å; V406-L504 HydrophobicContact CG1-CD1 3.53Å; V406-L504 HydrophobicContact CG1-CG 4.45Å; V406-K507 HydrophobicContact CG2-CG 3.69Å
407P93.8Very high92.6Very high0 Ų022.8 Ų22.80%011%0.106CC..EExtended strand (participates in β ladder)trans-69.6135.2176.128.9-30.2000110.1M133 A411 W482 C495M133-P407 HydrophobicContact CE-CG 3.51Å; P407-A411 HydrophobicContact CB-CB 3.96Å; P407-A411 HydrophobicContact CG-CB 4.05Å; P407-W482 HydrophobicContact CB-CE3 3.94Å; P407-W482 HydrophobicContact CB-CZ3 4.41Å; P407-W482 HydrophobicContact CG-CE3 3.8Å; P407-W482 HydrophobicContact CG-CZ3 4.04Å; P407-C495 HydrophobicContact CB-CB 3.84Å
408G93.2Very high92.8Very high0 Ų021.4 Ų21.40%010%0.1CC..THydrogen-bonded Turntrans-85-143.4175.900000112.5G410 A411 V500 E502G408-G410 PolarHBondContact O-N 3.04Å; G408-A411 WeakPolarHBondContact O-CB 3.25Å; G408-A411 PolarHBondContact O-N 3.38Å; G408-V500 PolarHBondContact N-O 3.09Å; G408-E502 WeakPolarHBondContact CA-OE1 3.34Å
409A92.5Very high93.1Very high15 Ų1522 Ų2212%0.12410%0.102CC..THydrogen-bonded Turntrans52.730.6172.800000115.5A411 L485 V500A409-A411 PolarHBondContact O-N 3.44Å; A409-L485 WeakPolarHBondContact CB-O 3.46Å; A409-L485 PolarHBondContact O-N 3.05Å; A409-V500 HydrophobicContact CB-CG1 4.17Å
410G93Very high93.3Very high2 Ų222 Ų222%0.02110%0.102CC..THydrogen-bonded Turntrans75.74.9-178.500000115.2G408 E413 T414G408-G410 PolarHBondContact O-N 3.04Å; G410-E413 VanDerWaalsContact CA-OE2 3.26Å; G410-E413 WeakPolarHBondContact CA-OE2 3.4Å; G410-T414 WeakPolarHBondContact O-CB 3.31Å; G410-T414 PolarHBondContact O-N 2.92Å; G410-T414 VanDerWaalsContact O-N 3.13Å; G410-T414 PolarHBondContact O-OG1 2.93Å
411A94.3Very high93.5Very high0 Ų023 Ų230%011%0.106CC..Hα-helixtrans-66.8-46.4179.600000111.4P407 G408 A409 E413 T414 A415 H468 W483P407-A411 HydrophobicContact CB-CB 3.96Å; P407-A411 HydrophobicContact CG-CB 4.05Å; G408-A411 WeakPolarHBondContact O-CB 3.25Å; G408-A411 PolarHBondContact O-N 3.38Å; A409-A411 PolarHBondContact O-N 3.44Å; A411-E413 PolarHBondContact O-N 3.09Å; A411-T414 PolarHBondContact O-N 3.48Å; A411-A415 WeakPolarHBondContact O-CB 3.39Å; A411-A415 PolarHBondContact O-N 2.99Å; A411-H468 PolarHBondContact O-CE1 2.81Å; A411-H468 VanDerWaalsContact O-CE1 3.24Å; A411-W483 WeakPolarHBondContact CB-O 3.43Å
412C94.6Very high93.8Very high3 Ų322.4 Ų22.42%0.0211%0.106CC..Hα-helixtrans-60.6-45.3179.5-170.30000111.9A415 V416C412-A415 PolarHBondContact O-N 3.39Å; C412-V416 VanDerWaalsContact O-CG2 3.25Å; C412-V416 WeakPolarHBondContact O-CG2 3.48Å; C412-V416 PolarHBondContact O-N 3.25Å; C412-V416 VanDerWaalsContact O-N 3.08Å
413E95.4Very high94.1Very high12 Ų1223 Ų236%0.05610%0.102CC..Hα-helixtrans-65.9-41-179.2-67.280.4-178.900111.8G410 A411 S417 M442 I445 K507G410-E413 VanDerWaalsContact CA-OE2 3.26Å; G410-E413 WeakPolarHBondContact CA-OE2 3.4Å; A411-E413 PolarHBondContact O-N 3.09Å; E413-S417 WeakPolarHBondContact O-CB 3.36Å; E413-S417 PolarHBondContact O-N 3.39Å; E413-M442 HydrophobicContact CB-CE 3.94Å; E413-M442 WeakPolarHBondContact CB-O 3.48Å; E413-M442 HydrophobicContact CG-CE 3.79Å; E413-I445 HydrophobicContact CG-CB 4.07Å; E413-I445 HydrophobicContact CG-CG1 4.21Å; E413-I445 HydrophobicContact CG-CG2 4.37Å; E413-K507 WeakPolarHBondContact OE1-CE 3.39Å; E413-K507 IonicContact OE1-NZ 3.06Å; E413-K507 PolarHBondContact OE1-NZ 3.17Å; E413-K507 IonicContact OE2-NZ 2.65Å
414T95.8Very high94.3Very high0 Ų018.4 Ų18.40%08%0.083CC..Hα-helixtrans-71.3-39.7179-52.80000111.8G410 A411 V416 S417 I418 L443 L464 R465 H468G410-T414 WeakPolarHBondContact O-CB 3.31Å; G410-T414 PolarHBondContact O-N 2.92Å; G410-T414 VanDerWaalsContact O-N 3.13Å; G410-T414 PolarHBondContact O-OG1 2.93Å; A411-T414 PolarHBondContact O-N 3.48Å; T414-V416 VanDerWaalsContact C-N 3.35Å; T414-V416 PolarHBondContact O-N 3.36Å; T414-S417 WeakPolarHBondContact O-CB 2.87Å; T414-S417 PolarHBondContact O-N 3.14Å; T414-I418 PolarHBondContact O-N 2.7Å; T414-I418 VanDerWaalsContact O-N 3.11Å; T414-L443 HydrophobicContact CG2-CD2 4.17Å; T414-L464 HydrophobicContact CG2-CD2 4.24Å; T414-L464 HydrophobicContact CG2-CG 3.94Å; T414-L464 WeakPolarHBondContact OG1-CD2 3.47Å; T414-R465 HydrophobicContact CG2-CB 4.39Å; T414-R465 HydrophobicContact CG2-CG 3.76Å; T414-H468 HydrophobicContact CG2-CB 4.21Å
415A95.1Very high94.4Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-59.1-4717500000111.4Y128 M133 A411 C412 I418 Y419 H468 Q472Y128-A415 HydrophobicContact CE1-CB 3.97Å; M133-A415 HydrophobicContact CE-CB 3.7Å; M133-A415 HydrophobicContact SD-CB 3.91Å; A411-A415 WeakPolarHBondContact O-CB 3.39Å; A411-A415 PolarHBondContact O-N 2.99Å; C412-A415 PolarHBondContact O-N 3.39Å; A415-I418 PolarHBondContact O-N 2.64Å; A415-Y419 WeakPolarHBondContact O-CB 3.49Å; A415-Y419 PolarHBondContact O-N 2.85Å; A415-H468 WeakPolarHBondContact CB-ND1 3.37Å; A415-Q472 PolarHBondContact O-NE2 3.29Å
416V95.6Very high94.3Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-64.5-40.5177.1171.10000111.3A125 Y128 I129 C412 T414 I418 Y419 L420 M442A125-V416 HydrophobicContact CB-CG1 3.56Å; Y128-V416 HydrophobicContact CD1-CG2 4.07Å; I129-V416 HydrophobicContact CD1-CG2 3.87Å; I129-V416 HydrophobicContact CG1-CG2 3.58Å; C412-V416 VanDerWaalsContact O-CG2 3.25Å; C412-V416 WeakPolarHBondContact O-CG2 3.48Å; C412-V416 PolarHBondContact O-N 3.25Å; C412-V416 VanDerWaalsContact O-N 3.08Å; T414-V416 VanDerWaalsContact C-N 3.35Å; T414-V416 PolarHBondContact O-N 3.36Å; V416-I418 PolarHBondContact O-N 3.08Å; V416-Y419 PolarHBondContact O-N 3.25Å; V416-L420 HydrophobicContact CG1-CD1 3.74Å; V416-L420 HydrophobicContact CG1-CG 4.08Å; V416-L420 WeakPolarHBondContact O-CB 3.32Å; V416-L420 VanDerWaalsContact O-CG 3.31Å; V416-L420 WeakPolarHBondContact O-CG 3.35Å; V416-L420 PolarHBondContact O-N 3.23Å; V416-M442 HydrophobicContact CB-CE 4.35Å; V416-M442 HydrophobicContact CG1-CE 4.21Å; V416-M442 HydrophobicContact CG1-CG 4.25Å
417S96.2Very high94.1Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-55.5-53.3176.7-176.30000111.4E413 T414 Y419 L420 E421 A439 L443E413-S417 WeakPolarHBondContact O-CB 3.36Å; E413-S417 PolarHBondContact O-N 3.39Å; T414-S417 WeakPolarHBondContact O-CB 2.87Å; T414-S417 PolarHBondContact O-N 3.14Å; S417-Y419 PolarHBondContact O-N 2.71Å; S417-L420 PolarHBondContact O-N 3.33Å; S417-E421 WeakPolarHBondContact O-CG 3.37Å; S417-E421 PolarHBondContact O-N 3.15Å; S417-A439 WeakPolarHBondContact CB-O 3.48Å; S417-A439 WeakPolarHBondContact O-CB 3.46Å; S417-A439 PolarHBondContact OG-O 3.31Å; S417-L443 WeakPolarHBondContact OG-CG 3.35Å
418I95.5Very high93.6Very high6 Ų631.6 Ų31.63%0.03118%0.176CC..Hα-helixtrans-64.8-41.2-179.8-60.3-59.5000111.9T414 A415 V416 L420 E421 N422 R465 H468 N469T414-I418 PolarHBondContact O-N 2.7Å; T414-I418 VanDerWaalsContact O-N 3.11Å; A415-I418 PolarHBondContact O-N 2.64Å; V416-I418 PolarHBondContact O-N 3.08Å; I418-L420 VanDerWaalsContact C-N 3.35Å; I418-L420 PolarHBondContact O-N 2.95Å; I418-E421 PolarHBondContact O-N 3.3Å; I418-N422 PolarHBondContact O-N 3.47Å; I418-N422 VanDerWaalsContact O-N 3.07Å; I418-N422 PolarHBondContact O-ND2 2.92Å; I418-R465 HydrophobicContact CD1-CB 4.31Å; I418-R465 HydrophobicContact CD1-CG 4.37Å; I418-H468 HydrophobicContact CG1-CB 4.31Å; I418-N469 HydrophobicContact CD1-CB 4.47Å; I418-N469 HydrophobicContact CG2-CB 4.11Å
419Y95.4Very high93.3Very high56 Ų5634.4 Ų34.422%0.2220%0.196CC..Hα-helixtrans-60.7-45.5178172.7-104.9000111.5E124 Y128 A415 V416 S417 N422 Y423E124-Y419 HydrophobicContact CB-CE1 4.22Å; Y128-Y419 HydrophobicContact CD1-CG 4.44Å; Y128-Y419 AromaticContact CD2-CD1 3.85Å; Y128-Y419 HydrophobicContact CD2-CD1 3.85Å; Y128-Y419 AromaticContact CD2-CD2 3.47Å; Y128-Y419 HydrophobicContact CD2-CD2 3.47Å; Y128-Y419 VanDerWaalsContact CD2-CD2 3.47Å; Y128-Y419 HydrophobicContact CD2-CE1 4.11Å; Y128-Y419 AromaticContact CD2-CE2 3.77Å; Y128-Y419 HydrophobicContact CD2-CE2 3.77Å; Y128-Y419 AromaticContact CD2-CG 3.51Å; Y128-Y419 HydrophobicContact CD2-CG 3.51Å; Y128-Y419 AromaticContact CE2-CD2 3.7Å; Y128-Y419 HydrophobicContact CE2-CD2 3.7Å; Y128-Y419 HydrophobicContact CE2-CE2 4.32Å; Y128-Y419 AromaticContact CE2-CG 3.87Å; Y128-Y419 HydrophobicContact CE2-CG 3.87Å; Y128-Y419 AromaticContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD1 3.79Å; Y128-Y419 HydrophobicContact CG-CD2 4.25Å; Y128-Y419 HydrophobicContact CG-CE1 4.16Å; Y128-Y419 AromaticContact CG-CG 3.83Å; Y128-Y419 HydrophobicContact CG-CG 3.83Å; A415-Y419 WeakPolarHBondContact O-CB 3.49Å; A415-Y419 PolarHBondContact O-N 2.85Å; V416-Y419 PolarHBondContact O-N 3.25Å; S417-Y419 PolarHBondContact O-N 2.71Å; Y419-N422 PolarHBondContact O-N 3.21Å; Y419-Y423 WeakPolarHBondContact O-CB 3.33Å; Y419-Y423 PolarHBondContact O-N 3.33Å
420L96Very high93Very high0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-70.3-34.1178.9-70.7-179.6000112.9A121 E124 A125 V416 S417 I418 N422 Y423 A424 I435 F438 A439A121-L420 HydrophobicContact CB-CD1 4.23Å; A121-L420 HydrophobicContact CB-CD2 4.39Å; E124-L420 HydrophobicContact CB-CD2 4.19Å; A125-L420 HydrophobicContact CB-CD1 4.27Å; V416-L420 HydrophobicContact CG1-CD1 3.74Å; V416-L420 HydrophobicContact CG1-CG 4.08Å; V416-L420 WeakPolarHBondContact O-CB 3.32Å; V416-L420 VanDerWaalsContact O-CG 3.31Å; V416-L420 WeakPolarHBondContact O-CG 3.35Å; V416-L420 PolarHBondContact O-N 3.23Å; S417-L420 PolarHBondContact O-N 3.33Å; I418-L420 VanDerWaalsContact C-N 3.35Å; I418-L420 PolarHBondContact O-N 2.95Å; L420-N422 VanDerWaalsContact C-N 3.34Å; L420-Y423 PolarHBondContact O-N 3.17Å; L420-A424 VanDerWaalsContact O-CB 3.31Å; L420-A424 WeakPolarHBondContact O-CB 3.46Å; L420-A424 PolarHBondContact O-N 2.97Å; L420-I435 HydrophobicContact CB-CG2 4.3Å; L420-I435 HydrophobicContact CD2-CG2 4.41Å; L420-F438 HydrophobicContact CD1-CD1 3.47Å; L420-F438 VanDerWaalsContact CD1-CD1 3.47Å; L420-F438 HydrophobicContact CD1-CE1 3.83Å; L420-A439 HydrophobicContact CB-CB 3.67Å
421E94.8Very high92.8Very high46 Ų4644.9 Ų44.922%0.21523%0.234CC..Hα-helixtrans-59.9-45.8172.2-76.8-177.6157.200110.7S417 I418 A424 A439 R465S417-E421 WeakPolarHBondContact O-CG 3.37Å; S417-E421 PolarHBondContact O-N 3.15Å; I418-E421 PolarHBondContact O-N 3.3Å; E421-A424 PolarHBondContact O-N 3.25Å; E421-A439 HydrophobicContact CG-CB 3.8Å; E421-R465 VanDerWaalsContact CD-NH2 3.34Å; E421-R465 IonicContact OE1-NH2 3.91Å; E421-R465 PolarHBondContact OE1-NH2 3.31Å; E421-R465 IonicContact OE2-CZ 3.75Å; E421-R465 IonicContact OE2-NH2 3.56Å; E421-R465 PolarHBondContact OE2-NH2 2.96Å
422N93.7Very high92.8Very high69 Ų6947.8 Ų47.837%0.36925%0.248SC..Hα-helixtrans-67.8-41.6176.6-70.6-33.5000112.3I418 Y419 L420 A424 L425I418-N422 PolarHBondContact O-N 3.47Å; I418-N422 VanDerWaalsContact O-N 3.07Å; I418-N422 PolarHBondContact O-ND2 2.92Å; Y419-N422 PolarHBondContact O-N 3.21Å; L420-N422 VanDerWaalsContact C-N 3.34Å; N422-A424 VanDerWaalsContact C-N 3.32Å; N422-A424 PolarHBondContact O-N 3.04Å; N422-L425 WeakPolarHBondContact O-CB 3.4Å; N422-L425 PolarHBondContact O-N 2.74Å
423Y93.8Very high92.7Very high49 Ų4951.9 Ų51.919%0.19227%0.269CS..Hα-helixtrans-62.5-39.2176.4179.9-108.1000111.9L120 E124 Y419 L420 L425 T426 L427 I435L120-Y423 HydrophobicContact CD2-CE1 4.4Å; L120-Y423 HydrophobicContact CG-CE1 4.3Å; E124-Y423 HydrophobicContact CG-CD1 4.33Å; E124-Y423 HydrophobicContact CG-CE1 3.77Å; E124-Y423 HydrophobicContact CG-CE2 4.32Å; Y419-Y423 WeakPolarHBondContact O-CB 3.33Å; Y419-Y423 PolarHBondContact O-N 3.33Å; L420-Y423 PolarHBondContact O-N 3.17Å; Y423-L425 PolarHBondContact O-N 3.44Å; Y423-T426 WeakPolarHBondContact O-CB 3.48Å; Y423-T426 PolarHBondContact O-N 3.21Å; Y423-T426 PolarHBondContact O-OG1 3.5Å; Y423-L427 HydrophobicContact CD1-CD1 4.32Å; Y423-L427 HydrophobicContact CE1-CD1 3.78Å; Y423-I435 HydrophobicContact CD1-CD1 4.46Å; Y423-I435 HydrophobicContact CD1-CG2 4.32Å; Y423-I435 HydrophobicContact CE1-CD1 4.23Å
424A93.4Very high92.6Very high4 Ų451.4 Ų51.43%0.03327%0.266CS..Hα-helixtrans-57.6-36.8176.700000111.9L420 E421 N422 T426 L427 Q432 I435 A436L420-A424 VanDerWaalsContact O-CB 3.31Å; L420-A424 WeakPolarHBondContact O-CB 3.46Å; L420-A424 PolarHBondContact O-N 2.97Å; E421-A424 PolarHBondContact O-N 3.25Å; N422-A424 VanDerWaalsContact C-N 3.32Å; N422-A424 PolarHBondContact O-N 3.04Å; A424-T426 PolarHBondContact O-N 3.09Å; A424-L427 PolarHBondContact O-N 3.27Å; A424-Q432 HydrophobicContact CB-CG 4.19Å; A424-Q432 VanDerWaalsContact O-CG 3.23Å; A424-Q432 WeakPolarHBondContact O-CG 3.42Å; A424-Q432 PolarHBondContact O-NE2 3.03Å; A424-I435 HydrophobicContact CB-CB 4.13Å; A424-I435 HydrophobicContact CB-CG2 3.89Å; A424-A436 HydrophobicContact CB-CB 4.48Å
425L92.5Very high92.6Very high127 Ų12751.4 Ų51.467%0.66527%0.266SS*.Hα-helixtrans-65.9-21.9177.5-63174.7000113.8N422 Y423 L427N422-L425 WeakPolarHBondContact O-CB 3.4Å; N422-L425 PolarHBondContact O-N 2.74Å; Y423-L425 PolarHBondContact O-N 3.44Å; L425-L427 VanDerWaalsContact C-N 3.28Å
426T92Very high92.6Very high102 Ų10252.6 Ų52.663%0.62628%0.276SS*.Hα-helixtrans-78-16.4177.671.40000113Y423 A424Y423-T426 WeakPolarHBondContact O-CB 3.48Å; Y423-T426 PolarHBondContact O-N 3.21Å; Y423-T426 PolarHBondContact O-OG1 3.5Å; A424-T426 PolarHBondContact O-N 3.09Å
427L90.6Very high92.6Very high43 Ų4353 Ų5323%0.22528%0.279CS..  trans-97134.4-178.3-63.7170.5000110.4L120 Y423 A424 L425 Q432 I435L120-L427 HydrophobicContact CD2-CD1 4.06Å; Y423-L427 HydrophobicContact CD1-CD1 4.32Å; Y423-L427 HydrophobicContact CE1-CD1 3.78Å; A424-L427 PolarHBondContact O-N 3.27Å; L425-L427 VanDerWaalsContact C-N 3.28Å; L427-Q432 PolarHBondContact O-OE1 3.37Å; L427-I435 HydrophobicContact CD1-CD1 3.17Å
428S82.2Confident92.6Very high129 Ų12953 Ų5390%0.90228%0.279SS*.  trans-93.3-8.6177.555.20000114
429S86Confident92.6Very high60 Ų6052.8 Ų52.842%0.4228%0.277SS..SBendtrans-82.2162.3-175.7-178.30000112.4E431 Q432S429-E431 PolarHBondContact O-N 3.27Å; S429-Q432 WeakPolarHBondContact O-CB 3.36Å; S429-Q432 PolarHBondContact O-N 3.45Å
430R87.1Confident92.7Very high187 Ų18756.2 Ų56.271%0.70629%0.29SS*.THydrogen-bonded Turntrans-56-22.9171.5-67.6-175.9-177.3179.50.3113.2T113 Q432 L433T113-R430 HydrophobicContact CG2-CB 3.94Å; R430-Q432 PolarHBondContact O-N 3.42Å; R430-L433 PolarHBondContact O-N 3.39Å; R430-L433 VanDerWaalsContact O-N 3.15Å
431E88.8Confident92.7Very high50 Ų5056.3 Ų56.323%0.23429%0.291CS..Hα-helixtrans-58.8-23.5173.9-64.2-178.316700112.9T113 N116 S429 L433 A434 I435T113-E431 HydrophobicContact CG2-CG 4.14Å; N116-E431 WeakPolarHBondContact CB-OE1 3.45Å; S429-E431 PolarHBondContact O-N 3.27Å; E431-L433 PolarHBondContact O-N 3.03Å; E431-A434 WeakPolarHBondContact O-CB 3.49Å; E431-A434 PolarHBondContact O-N 3.41Å; E431-A434 VanDerWaalsContact O-N 3.09Å; E431-I435 WeakPolarHBondContact O-CG1 3.48Å; E431-I435 PolarHBondContact O-N 2.77Å
432Q93.3Very high92.7Very high61 Ų6154.4 Ų54.429%0.28528%0.282SS..Hα-helixtrans-51-44.2171.9173.317631.200112.1A424 L427 S429 R430 A434 I435 A436A424-Q432 HydrophobicContact CB-CG 4.19Å; A424-Q432 VanDerWaalsContact O-CG 3.23Å; A424-Q432 WeakPolarHBondContact O-CG 3.42Å; A424-Q432 PolarHBondContact O-NE2 3.03Å; L427-Q432 PolarHBondContact O-OE1 3.37Å; S429-Q432 WeakPolarHBondContact O-CB 3.36Å; S429-Q432 PolarHBondContact O-N 3.45Å; R430-Q432 PolarHBondContact O-N 3.42Å; Q432-A434 VanDerWaalsContact C-N 3.33Å; Q432-A434 PolarHBondContact O-N 2.97Å; Q432-I435 PolarHBondContact O-N 3.46Å; Q432-A436 WeakPolarHBondContact O-CB 3.26Å; Q432-A436 PolarHBondContact O-N 3.18Å
433L93.1Very high92.8Very high89 Ų8951.4 Ų51.447%0.46627%0.265SS..Hα-helixtrans-64.1-40.4-179.6-62.5176.7000111.4L104 V109 R430 E431 A436 E437L104-L433 HydrophobicContact CD2-CB 4.15Å; V109-L433 HydrophobicContact CG2-CD1 4.37Å; R430-L433 PolarHBondContact O-N 3.39Å; R430-L433 VanDerWaalsContact O-N 3.15Å; E431-L433 PolarHBondContact O-N 3.03Å; L433-A436 PolarHBondContact O-N 3.43Å; L433-E437 WeakPolarHBondContact O-CG 3.36Å; L433-E437 PolarHBondContact O-N 3.22Å; L433-E437 VanDerWaalsContact O-N 3.08Å
434A94.4Very high92.9Very high1 Ų150.1 Ų50.11%0.00826%0.264CS..Hα-helixtrans-67-40.7178.100000111.9L104 V114 Y118 E431 Q432 E437 F438L104-A434 HydrophobicContact CD1-CB 4.24Å; V114-A434 HydrophobicContact CG1-CB 4.41Å; Y118-A434 HydrophobicContact CD1-CB 4.31Å; Y118-A434 HydrophobicContact CE1-CB 4.4Å; Y118-A434 VanDerWaalsContact CE1-O 3.26Å; Y118-A434 WeakPolarHBondContact CE1-O 3.35Å; E431-A434 WeakPolarHBondContact O-CB 3.49Å; E431-A434 PolarHBondContact O-N 3.41Å; E431-A434 VanDerWaalsContact O-N 3.09Å; Q432-A434 VanDerWaalsContact C-N 3.33Å; Q432-A434 PolarHBondContact O-N 2.97Å; A434-E437 PolarHBondContact O-N 3.38Å; A434-F438 WeakPolarHBondContact O-CB 3.49Å; A434-F438 PolarHBondContact O-N 2.81Å
435I95.5Very high93Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-67.4-40.8177.8-63.6163.2000110.8L120 A121 L420 Y423 A424 L427 E431 Q432 E437 F438 A439L120-I435 HydrophobicContact CD2-CD1 4.08Å; L120-I435 HydrophobicContact CG-CD1 4.45Å; A121-I435 HydrophobicContact CB-CG1 4.19Å; A121-I435 HydrophobicContact CB-CG2 4.24Å; L420-I435 HydrophobicContact CB-CG2 4.3Å; L420-I435 HydrophobicContact CD2-CG2 4.41Å; Y423-I435 HydrophobicContact CD1-CD1 4.46Å; Y423-I435 HydrophobicContact CD1-CG2 4.32Å; Y423-I435 HydrophobicContact CE1-CD1 4.23Å; A424-I435 HydrophobicContact CB-CB 4.13Å; A424-I435 HydrophobicContact CB-CG2 3.89Å; L427-I435 HydrophobicContact CD1-CD1 3.17Å; E431-I435 WeakPolarHBondContact O-CG1 3.48Å; E431-I435 PolarHBondContact O-N 2.77Å; Q432-I435 PolarHBondContact O-N 3.46Å; I435-E437 VanDerWaalsContact C-N 3.31Å; I435-E437 PolarHBondContact O-N 3.24Å; I435-F438 WeakPolarHBondContact O-CB 3.4Å; I435-F438 PolarHBondContact O-N 2.76Å; I435-A439 WeakPolarHBondContact O-CB 3.41Å; I435-A439 PolarHBondContact O-N 2.85Å
436A95Very high93.1Very high25 Ų2544.2 Ų44.221%0.20723%0.232CC..Hα-helixtrans-60.8-40.8175.500000111.9A424 Q432 L433 A439 R440A424-A436 HydrophobicContact CB-CB 4.48Å; Q432-A436 WeakPolarHBondContact O-CB 3.26Å; Q432-A436 PolarHBondContact O-N 3.18Å; L433-A436 PolarHBondContact O-N 3.43Å; A436-A439 WeakPolarHBondContact O-CB 3.24Å; A436-A439 PolarHBondContact O-N 3.46Å; A436-R440 WeakPolarHBondContact O-CG 3.35Å; A436-R440 PolarHBondContact O-N 2.87Å
437E95.3Very high93.3Very high10 Ų1044.1 Ų44.15%0.04722%0.223CC..Hα-helixtrans-72-33.1176.2-73.8-51.715000113.6N100 L104 L433 A434 I435 A439 R440 A441N100-E437 HydrophobicContact CB-CB 4.11Å; N100-E437 PolarHBondContact ND2-O 2.91Å; L104-E437 HydrophobicContact CD1-CB 3.9Å; L104-E437 HydrophobicContact CD1-CG 3.72Å; L104-E437 HydrophobicContact CD2-CG 3.73Å; L104-E437 HydrophobicContact CG-CB 4.39Å; L104-E437 HydrophobicContact CG-CG 3.72Å; L433-E437 WeakPolarHBondContact O-CG 3.36Å; L433-E437 PolarHBondContact O-N 3.22Å; L433-E437 VanDerWaalsContact O-N 3.08Å; A434-E437 PolarHBondContact O-N 3.38Å; I435-E437 VanDerWaalsContact C-N 3.31Å; I435-E437 PolarHBondContact O-N 3.24Å; E437-A439 VanDerWaalsContact C-N 3.33Å; E437-R440 PolarHBondContact O-N 3.47Å; E437-R440 IonicContact OE1-CZ 3.05Å; E437-R440 IonicContact OE1-NH1 3.97Å; E437-R440 PolarHBondContact OE1-NH1 3.39Å; E437-R440 WeakPolarHBondContact OE2-CD 2.97Å; E437-R440 IonicContact OE2-NH1 2.6Å; E437-A441 PolarHBondContact O-N 3.27Å
438F96.6Very high93.5Very high0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-61.4-44.9169.7-171.2-76.7000110.6L97 Y118 A121 C122 L420 A434 I435 R440 A441 M442 L511 T515L97-F438 HydrophobicContact CD1-CE2 4.09Å; L97-F438 HydrophobicContact CD2-CB 4.44Å; L97-F438 HydrophobicContact CD2-CD2 3.34Å; L97-F438 HydrophobicContact CD2-CE2 3.63Å; L97-F438 HydrophobicContact CD2-CG 3.93Å; L97-F438 HydrophobicContact CD2-CZ 4.43Å; Y118-F438 HydrophobicContact CD1-CB 3.96Å; Y118-F438 AromaticContact CD1-CD2 3.86Å; Y118-F438 HydrophobicContact CD1-CD2 3.86Å; Y118-F438 HydrophobicContact CD1-CG 4.41Å; Y118-F438 HydrophobicContact CD2-CD2 4.39Å; Y118-F438 HydrophobicContact CE1-CB 3.96Å; Y118-F438 HydrophobicContact CE1-CD2 4.34Å; Y118-F438 AromaticContact CG-CD2 3.88Å; Y118-F438 HydrophobicContact CG-CD2 3.88Å; A121-F438 HydrophobicContact CB-CB 3.9Å; A121-F438 HydrophobicContact CB-CD1 3.67Å; A121-F438 HydrophobicContact CB-CD2 3.97Å; A121-F438 HydrophobicContact CB-CE1 4.17Å; A121-F438 HydrophobicContact CB-CE2 4.44Å; A121-F438 HydrophobicContact CB-CG 3.56Å; C122-F438 HydrophobicContact CB-CE2 4.48Å; C122-F438 HydrophobicContact CB-CZ 4.27Å; L420-F438 HydrophobicContact CD1-CD1 3.47Å; L420-F438 VanDerWaalsContact CD1-CD1 3.47Å; L420-F438 HydrophobicContact CD1-CE1 3.83Å; A434-F438 WeakPolarHBondContact O-CB 3.49Å; A434-F438 PolarHBondContact O-N 2.81Å; I435-F438 WeakPolarHBondContact O-CB 3.4Å; I435-F438 PolarHBondContact O-N 2.76Å; F438-R440 VanDerWaalsContact C-N 3.3Å; F438-R440 PolarHBondContact O-N 2.93Å; F438-A441 WeakPolarHBondContact O-CB 3.27Å; F438-A441 PolarHBondContact O-N 3.21Å; F438-A441 VanDerWaalsContact O-N 3.14Å; F438-M442 HydrophobicContact CD1-CG 4.39Å; F438-M442 HydrophobicContact CE1-CG 4.26Å; F438-M442 HydrophobicContact CE1-SD 4.04Å; F438-M442 PolarHBondContact O-N 3.16Å; F438-L511 HydrophobicContact CZ-CD2 4.49Å; F438-T515 HydrophobicContact CE2-CG2 4.3Å
439A96.2Very high94Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-61-38.617700000112.3S417 L420 E421 I435 A436 E437 M442S417-A439 WeakPolarHBondContact CB-O 3.48Å; S417-A439 WeakPolarHBondContact O-CB 3.46Å; S417-A439 PolarHBondContact OG-O 3.31Å; L420-A439 HydrophobicContact CB-CB 3.67Å; E421-A439 HydrophobicContact CG-CB 3.8Å; I435-A439 WeakPolarHBondContact O-CB 3.41Å; I435-A439 PolarHBondContact O-N 2.85Å; A436-A439 WeakPolarHBondContact O-CB 3.24Å; A436-A439 PolarHBondContact O-N 3.46Å; E437-A439 VanDerWaalsContact C-N 3.33Å; A439-M442 WeakPolarHBondContact O-CB 3.3Å; A439-M442 PolarHBondContact O-N 2.82Å
440R95.9Very high94.4Very high129 Ų12935.1 Ų35.149%0.48716%0.16SC..Hα-helixtrans-66.9-37.6173.9-73.6173.7179168.7-0.1112.6A436 E437 F438 M442 L443A436-R440 WeakPolarHBondContact O-CG 3.35Å; A436-R440 PolarHBondContact O-N 2.87Å; E437-R440 PolarHBondContact O-N 3.47Å; E437-R440 IonicContact OE1-CZ 3.05Å; E437-R440 IonicContact OE1-NH1 3.97Å; E437-R440 PolarHBondContact OE1-NH1 3.39Å; E437-R440 WeakPolarHBondContact OE2-CD 2.97Å; E437-R440 IonicContact OE2-NH1 2.6Å; F438-R440 VanDerWaalsContact C-N 3.3Å; F438-R440 PolarHBondContact O-N 2.93Å; R440-M442 VanDerWaalsContact C-N 3.27Å; R440-M442 PolarHBondContact O-N 3.3Å; R440-L443 WeakPolarHBondContact O-CB 3.5Å; R440-L443 PolarHBondContact O-N 2.88Å
441A96.3Very high94.7Very high2 Ų229.9 Ų29.92%0.01715%0.148CC..Hα-helixtrans-62.7-34.6178.600000111.8A96 L97 N100 E437 F438 L443 S444A96-A441 HydrophobicContact CB-CB 4.18Å; L97-A441 HydrophobicContact CD2-CB 3.66Å; L97-A441 HydrophobicContact CG-CB 4.15Å; N100-A441 PolarHBondContact ND2-N 3.32Å; E437-A441 PolarHBondContact O-N 3.27Å; F438-A441 WeakPolarHBondContact O-CB 3.27Å; F438-A441 PolarHBondContact O-N 3.21Å; F438-A441 VanDerWaalsContact O-N 3.14Å; A441-L443 PolarHBondContact O-N 2.89Å; A441-S444 VanDerWaalsContact O-CB 3.24Å; A441-S444 WeakPolarHBondContact O-CB 3.39Å; A441-S444 PolarHBondContact O-N 3.46Å; A441-S444 PolarHBondContact O-OG 3.36Å
442M95.8Very high94.9Very high5 Ų529.1 Ų29.13%0.02515%0.146CC..Hα-helixtrans-57-31.3175.9-66.9-59.3-60.300113.1L93 E413 V416 F438 A439 R440 S444 L511L93-M442 HydrophobicContact CD1-SD 3.88Å; L93-M442 HydrophobicContact CD2-SD 4.35Å; E413-M442 HydrophobicContact CB-CE 3.94Å; E413-M442 WeakPolarHBondContact CB-O 3.48Å; E413-M442 HydrophobicContact CG-CE 3.79Å; V416-M442 HydrophobicContact CB-CE 4.35Å; V416-M442 HydrophobicContact CG1-CE 4.21Å; V416-M442 HydrophobicContact CG1-CG 4.25Å; F438-M442 HydrophobicContact CD1-CG 4.39Å; F438-M442 HydrophobicContact CE1-CG 4.26Å; F438-M442 HydrophobicContact CE1-SD 4.04Å; F438-M442 PolarHBondContact O-N 3.16Å; A439-M442 WeakPolarHBondContact O-CB 3.3Å; A439-M442 PolarHBondContact O-N 2.82Å; R440-M442 VanDerWaalsContact C-N 3.27Å; R440-M442 PolarHBondContact O-N 3.3Å; M442-S444 PolarHBondContact O-N 3.13Å; M442-L511 HydrophobicContact CE-CD2 3.65Å; M442-L511 HydrophobicContact SD-CD2 3.48Å; M442-L511 WeakPolarHBondContact SD-CD2 3.31Å
443L96Very high94.8Very high6 Ų627.6 Ų27.63%0.03114%0.144CC..THydrogen-bonded Turntrans-72-4.1178.1-60.6174.6000113.3T414 S417 R440 A441 I445 P446 K447 V461 R465T414-L443 HydrophobicContact CG2-CD2 4.17Å; S417-L443 WeakPolarHBondContact OG-CG 3.35Å; R440-L443 WeakPolarHBondContact O-CB 3.5Å; R440-L443 PolarHBondContact O-N 2.88Å; A441-L443 PolarHBondContact O-N 2.89Å; L443-I445 VanDerWaalsContact C-N 3.29Å; L443-I445 PolarHBondContact O-N 3.2Å; L443-P446 HydrophobicContact CD2-CG 4.38Å; L443-P446 WeakPolarHBondContact O-CD 3.46Å; L443-P446 WeakPolarHBondContact O-CG 3.45Å; L443-K447 VanDerWaalsContact O-CB 3.29Å; L443-K447 WeakPolarHBondContact O-CB 3.29Å; L443-K447 WeakPolarHBondContact O-CD 3.36Å; L443-K447 WeakPolarHBondContact O-CG 3.49Å; L443-K447 PolarHBondContact O-N 3.16Å; L443-V461 HydrophobicContact CD2-CG1 4.37Å; L443-R465 HydrophobicContact CD2-CG 4.15Å
444S95.1Very high94.7Very high22 Ų2226.8 Ų26.815%0.15416%0.156CC..Hα-helixtrans-61.7-37.3177.370.70000112.4A441 M442 Q448A441-S444 VanDerWaalsContact O-CB 3.24Å; A441-S444 WeakPolarHBondContact O-CB 3.39Å; A441-S444 PolarHBondContact O-N 3.46Å; A441-S444 PolarHBondContact O-OG 3.36Å; M442-S444 PolarHBondContact O-N 3.13Å; S444-Q448 VanDerWaalsContact O-CB 3.27Å; S444-Q448 WeakPolarHBondContact O-CB 3.17Å; S444-Q448 PolarHBondContact O-N 3.15Å
445I95.2Very high94.5Very high8 Ų828 Ų284%0.04116%0.164CC..Hα-helixtrans-67.6-58-178.6-58.1-58000111.9L33 I92 E413 L443 K447 Q448 L449L33-I445 HydrophobicContact CD2-CD1 4.37Å; L33-I445 HydrophobicContact CD2-CG2 4.37Å; I92-I445 HydrophobicContact CB-CD1 4.07Å; I92-I445 HydrophobicContact CG2-CD1 3.89Å; E413-I445 HydrophobicContact CG-CB 4.07Å; E413-I445 HydrophobicContact CG-CG1 4.21Å; E413-I445 HydrophobicContact CG-CG2 4.37Å; L443-I445 VanDerWaalsContact C-N 3.29Å; L443-I445 PolarHBondContact O-N 3.2Å; I445-K447 VanDerWaalsContact C-N 3.26Å; I445-K447 PolarHBondContact O-N 3Å; I445-Q448 PolarHBondContact O-N 2.96Å; I445-Q448 VanDerWaalsContact O-N 3.12Å; I445-L449 HydrophobicContact CG2-CD1 4.32Å; I445-L449 WeakPolarHBondContact O-CG 3.44Å; I445-L449 PolarHBondContact O-N 3.34Å
446P95.2Very high94.3Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-61.8-34.7178.123.4-34.1000112.4L443 L449 A450 V461 L464 L485L443-P446 HydrophobicContact CD2-CG 4.38Å; L443-P446 WeakPolarHBondContact O-CD 3.46Å; L443-P446 WeakPolarHBondContact O-CG 3.45Å; P446-L449 PolarHBondContact O-N 3.28Å; P446-A450 PolarHBondContact O-N 3.26Å; P446-A450 VanDerWaalsContact O-N 3.12Å; P446-V461 HydrophobicContact CB-CG2 4.27Å; P446-L464 HydrophobicContact CB-CD2 4.12Å; P446-L485 HydrophobicContact CB-CD1 3.8Å; P446-L485 VanDerWaalsContact O-CD1 3.31Å; P446-L485 WeakPolarHBondContact O-CD1 3.46Å
447K95.2Very high94.1Very high99 Ų9932 Ų3243%0.4318%0.184SC..Hα-helixtrans-61.3-47.9172.8-75174.7-177.9179.40111.5L443 I445 L449 A450 V451 V461L443-K447 VanDerWaalsContact O-CB 3.29Å; L443-K447 WeakPolarHBondContact O-CB 3.29Å; L443-K447 WeakPolarHBondContact O-CD 3.36Å; L443-K447 WeakPolarHBondContact O-CG 3.49Å; L443-K447 PolarHBondContact O-N 3.16Å; I445-K447 VanDerWaalsContact C-N 3.26Å; I445-K447 PolarHBondContact O-N 3Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 2.89Å; K447-A450 PolarHBondContact O-N 2.92Å; K447-V451 VanDerWaalsContact O-CG2 3.29Å; K447-V451 WeakPolarHBondContact O-CG2 3.48Å; K447-V451 PolarHBondContact O-N 3.45Å; K447-V461 HydrophobicContact CG-CB 4.43Å; K447-V461 HydrophobicContact CG-CG1 4.28Å; K447-V461 HydrophobicContact CG-CG2 3.8Å
448Q94.9Very high94Very high27 Ų2736.2 Ų36.213%0.12621%0.21CC..Hα-helixtrans-65.3-38.5-178.8-171.862.349.300112K30 L33 I92 S444 I445 A450 V451 N452K30-Q448 HydrophobicContact CB-CG 4.22Å; K30-Q448 HydrophobicContact CG-CG 4.12Å; K30-Q448 PolarHBondContact O-NE2 2.8Å; L33-Q448 HydrophobicContact CB-CG 4.32Å; L33-Q448 HydrophobicContact CD2-CB 3.81Å; L33-Q448 HydrophobicContact CD2-CG 3.81Å; I92-Q448 HydrophobicContact CD1-CG 4.43Å; S444-Q448 VanDerWaalsContact O-CB 3.27Å; S444-Q448 WeakPolarHBondContact O-CB 3.17Å; S444-Q448 PolarHBondContact O-N 3.15Å; I445-Q448 PolarHBondContact O-N 2.96Å; I445-Q448 VanDerWaalsContact O-N 3.12Å; Q448-A450 VanDerWaalsContact C-N 3.35Å; Q448-A450 PolarHBondContact O-N 3.08Å; Q448-V451 PolarHBondContact O-N 2.98Å; Q448-N452 PolarHBondContact NE2-OD1 3.22Å; Q448-N452 PolarHBondContact O-N 3.09Å
449L94.1Very high93.8Very high17 Ų1740.3 Ų40.39%0.08923%0.229CC..Hα-helixtrans-57.9-46.3173.5-70.8174.3000111.8L33 G34 I445 P446 K447 N452 A453 L485 L487L33-L449 HydrophobicContact CD2-CD2 4.18Å; L33-L449 HydrophobicContact CD2-CG 4.26Å; L33-L449 HydrophobicContact CG-CD2 3.94Å; G34-L449 VanDerWaalsContact CA-CD2 3.43Å; I445-L449 HydrophobicContact CG2-CD1 4.32Å; I445-L449 WeakPolarHBondContact O-CG 3.44Å; I445-L449 PolarHBondContact O-N 3.34Å; P446-L449 PolarHBondContact O-N 3.28Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 2.89Å; L449-N452 PolarHBondContact O-N 3.35Å; L449-A453 PolarHBondContact O-N 3.5Å; L449-L485 HydrophobicContact CB-CD1 4.29Å; L449-L487 HydrophobicContact CB-CD1 4.37Å
450A93.4Very high93.6Very high0 Ų040.5 Ų40.50%023%0.23CC..Hα-helixtrans-69-37.1178.400000112.9P446 K447 Q448 A453 G454 V455 L460P446-A450 PolarHBondContact O-N 3.26Å; P446-A450 VanDerWaalsContact O-N 3.12Å; K447-A450 PolarHBondContact O-N 2.92Å; Q448-A450 VanDerWaalsContact C-N 3.35Å; Q448-A450 PolarHBondContact O-N 3.08Å; A450-A453 WeakPolarHBondContact O-CB 3.31Å; A450-A453 PolarHBondContact O-N 3.47Å; A450-G454 PolarHBondContact O-N 3.49Å; A450-V455 PolarHBondContact O-N 3.24Å; A450-L460 HydrophobicContact CB-CD1 4.13Å
451V93.9Very high93.5Very high77 Ų7734.7 Ų34.747%0.46721%0.209SC..Hα-helixtrans-62.4-44.7175168.80000111.1K447 Q448 A453 G454K447-V451 VanDerWaalsContact O-CG2 3.29Å; K447-V451 WeakPolarHBondContact O-CG2 3.48Å; K447-V451 PolarHBondContact O-N 3.45Å; Q448-V451 PolarHBondContact O-N 2.98Å; V451-A453 PolarHBondContact O-N 3.46Å; V451-G454 PolarHBondContact O-N 2.94Å
452N93.2Very high93.4Very high34 Ų3437.4 Ų37.418%0.18223%0.232CC..Hα-helixtrans-66.3-27.9178-69.2-10.1000112.1K30 L33 V36 Q448 L449 G454K30-N452 PolarHBondContact O-ND2 2.89Å; K30-N452 PolarHBondContact O-OD1 3.22Å; L33-N452 PolarHBondContact O-ND2 3.39Å; V36-N452 HydrophobicContact CG2-CB 3.97Å; Q448-N452 PolarHBondContact NE2-OD1 3.22Å; Q448-N452 PolarHBondContact O-N 3.09Å; L449-N452 PolarHBondContact O-N 3.35Å; N452-G454 PolarHBondContact O-N 3.18Å
453A90.9Very high93.3Very high29 Ų2941.7 Ų41.724%0.2425%0.248CC..THydrogen-bonded Turntrans-72.5-10173.300000113.8V36 L449 A450 V451 V455 L487V36-A453 HydrophobicContact CG2-CB 3.87Å; L449-A453 PolarHBondContact O-N 3.5Å; A450-A453 WeakPolarHBondContact O-CB 3.31Å; A450-A453 PolarHBondContact O-N 3.47Å; V451-A453 PolarHBondContact O-N 3.46Å; A453-V455 HydrophobicContact CB-CG2 3.86Å; A453-V455 PolarHBondContact O-N 3.08Å; A453-L487 HydrophobicContact CB-CB 4.23Å; A453-L487 HydrophobicContact CB-CD1 4.44Å; A453-L487 HydrophobicContact CB-CD2 4.04Å; A453-L487 HydrophobicContact CB-CG 4.46Å
454G90.3Very high93.2Very high71 Ų7141.4 Ų41.473%0.73225%0.246SC*.THydrogen-bonded Turntrans69.516.2-174.400000114A450 V451 N452A450-G454 PolarHBondContact O-N 3.49Å; V451-G454 PolarHBondContact O-N 2.94Å; N452-G454 PolarHBondContact O-N 3.18Å
455V89.5Confident93.1Very high28 Ų2844.4 Ų44.417%0.1725%0.254CS..SBendtrans-97.4160.1179.8-168.70000109.6A450 A453 S457 L460 Q490A450-V455 PolarHBondContact O-N 3.24Å; A453-V455 HydrophobicContact CB-CG2 3.86Å; A453-V455 PolarHBondContact O-N 3.08Å; V455-S457 PolarHBondContact O-N 3.49Å; V455-L460 HydrophobicContact CB-CD1 3.91Å; V455-L460 HydrophobicContact CG1-CD1 3.6Å; V455-L460 HydrophobicContact CG1-CG 4.12Å; V455-Q490 HydrophobicContact CG1-CB 4.29Å; V455-Q490 HydrophobicContact CG1-CG 4.45Å; V455-Q490 HydrophobicContact CG2-CG 3.89Å
456D91.6Very high93Very high81 Ų8147.3 Ų47.343%0.43328%0.275SS..  trans-63.597.9173.1-172-6.6000111.2T458 E459 L460D456-T458 VanDerWaalsContact CG-OG1 3.32Å; D456-T458 PolarHBondContact O-N 3.35Å; D456-T458 WeakPolarHBondContact OD1-CB 3.37Å; D456-T458 PolarHBondContact OD1-N 2.89Å; D456-T458 PolarHBondContact OD1-OG1 2.98Å; D456-T458 PolarHBondContact OD2-OG1 2.97Å; D456-E459 HydrophobicContact CB-CB 4.27Å; D456-E459 PolarHBondContact O-N 3.35Å; D456-L460 PolarHBondContact O-N 3.04Å
457S91.5Very high92.9Very high27 Ų2748.3 Ų48.319%0.18928%0.282CS..Hα-helixtrans-59.1-26.8177.966.80000113.4V455 V461V455-S457 PolarHBondContact O-N 3.49Å; S457-V461 WeakPolarHBondContact O-CB 3.25Å; S457-V461 WeakPolarHBondContact O-CG2 3.35Å; S457-V461 PolarHBondContact O-N 3.47Å; S457-V461 VanDerWaalsContact O-N 3.16Å
458T92.3Very high92.9Very high98 Ų9843.6 Ų43.660%0.60126%0.261SS*.Hα-helixtrans-73.1-44.5-178.667.60000111D456 A462D456-T458 VanDerWaalsContact CG-OG1 3.32Å; D456-T458 PolarHBondContact O-N 3.35Å; D456-T458 WeakPolarHBondContact OD1-CB 3.37Å; D456-T458 PolarHBondContact OD1-N 2.89Å; D456-T458 PolarHBondContact OD1-OG1 2.98Å; D456-T458 PolarHBondContact OD2-OG1 2.97Å; T458-A462 WeakPolarHBondContact O-CB 3.42Å; T458-A462 PolarHBondContact O-N 3.17Å
459E93Very high92.8Very high87 Ų8745.4 Ų45.441%0.40727%0.272SS..Hα-helixtrans-65.2-50.4178.1-174.5179.3178.200111.6D456 V461 A462 R463D456-E459 HydrophobicContact CB-CB 4.27Å; D456-E459 PolarHBondContact O-N 3.35Å; E459-V461 PolarHBondContact O-N 3.4Å; E459-A462 PolarHBondContact O-N 3.13Å; E459-R463 WeakPolarHBondContact O-CG 3.49Å; E459-R463 PolarHBondContact O-N 2.95Å; E459-R463 IonicContact OE1-CZ 2.63Å; E459-R463 IonicContact OE1-NE 3.97Å; E459-R463 IonicContact OE1-NH1 3.46Å; E459-R463 PolarHBondContact OE1-NH1 3.43Å; E459-R463 IonicContact OE1-NH2 3.01Å; E459-R463 PolarHBondContact OE1-NH2 3.05Å
460L92Very high92.7Very high4 Ų445.7 Ų45.72%0.02128%0.276CS..Hα-helixtrans-63.1-45.6-178.1-74.2-177.5000112.4A450 V455 D456 A462 R463 L464 L485 Q490A450-L460 HydrophobicContact CB-CD1 4.13Å; V455-L460 HydrophobicContact CB-CD1 3.91Å; V455-L460 HydrophobicContact CG1-CD1 3.6Å; V455-L460 HydrophobicContact CG1-CG 4.12Å; D456-L460 PolarHBondContact O-N 3.04Å; L460-A462 VanDerWaalsContact C-N 3.34Å; L460-A462 PolarHBondContact O-N 3.34Å; L460-R463 PolarHBondContact O-N 2.81Å; L460-L464 WeakPolarHBondContact O-CB 3.43Å; L460-L464 PolarHBondContact O-N 2.96Å; L460-L485 HydrophobicContact CB-CD2 4.07Å; L460-Q490 WeakPolarHBondContact CD2-O 3.23Å
461V93.5Very high92.5Very high6 Ų646.3 Ų46.34%0.03628%0.28CS..Hα-helixtrans-69-35.1179.4175.80000110.9L443 P446 K447 S457 E459 L464 R465L443-V461 HydrophobicContact CD2-CG1 4.37Å; P446-V461 HydrophobicContact CB-CG2 4.27Å; K447-V461 HydrophobicContact CG-CB 4.43Å; K447-V461 HydrophobicContact CG-CG1 4.28Å; K447-V461 HydrophobicContact CG-CG2 3.8Å; S457-V461 WeakPolarHBondContact O-CB 3.25Å; S457-V461 WeakPolarHBondContact O-CG2 3.35Å; S457-V461 PolarHBondContact O-N 3.47Å; S457-V461 VanDerWaalsContact O-N 3.16Å; E459-V461 PolarHBondContact O-N 3.4Å; V461-L464 PolarHBondContact O-N 2.71Å; V461-R465 HydrophobicContact CG1-CG 4.4Å; V461-R465 WeakPolarHBondContact O-CB 3.33Å; V461-R465 VanDerWaalsContact O-CG 3.28Å; V461-R465 WeakPolarHBondContact O-CG 3.47Å; V461-R465 PolarHBondContact O-N 3.46Å
462A94.1Very high92.3Very high60 Ų6045.3 Ų45.350%0.49627%0.27SS..Hα-helixtrans-63.1-43.917400000112T458 E459 L460 R465 S466T458-A462 WeakPolarHBondContact O-CB 3.42Å; T458-A462 PolarHBondContact O-N 3.17Å; E459-A462 PolarHBondContact O-N 3.13Å; L460-A462 VanDerWaalsContact C-N 3.34Å; L460-A462 PolarHBondContact O-N 3.34Å; A462-R465 PolarHBondContact O-N 2.67Å; A462-S466 PolarHBondContact O-N 3.12Å
463R93.5Very high92.1Very high95 Ų9547.4 Ų47.436%0.35829%0.288SS..Hα-helixtrans-60.8-48.8174.1-73.9180176.3163.64111.7E459 L460 R465 S466 C467 V492E459-R463 WeakPolarHBondContact O-CG 3.49Å; E459-R463 PolarHBondContact O-N 2.95Å; E459-R463 IonicContact OE1-CZ 2.63Å; E459-R463 IonicContact OE1-NE 3.97Å; E459-R463 IonicContact OE1-NH1 3.46Å; E459-R463 PolarHBondContact OE1-NH1 3.43Å; E459-R463 IonicContact OE1-NH2 3.01Å; E459-R463 PolarHBondContact OE1-NH2 3.05Å; L460-R463 PolarHBondContact O-N 2.81Å; R463-R465 VanDerWaalsContact C-N 3.33Å; R463-R465 PolarHBondContact O-N 3.18Å; R463-S466 WeakPolarHBondContact O-CB 3.42Å; R463-S466 PolarHBondContact O-N 3.48Å; R463-S466 VanDerWaalsContact O-N 3.08Å; R463-C467 PolarHBondContact O-N 3.12Å; R463-C467 PolarHBondContact O-SG 2.96Å; R463-C467 VanDerWaalsContact O-SG 3.37Å; R463-V492 HydrophobicContact CB-CG2 3.88Å
464L93.8Very high91.9Very high0 Ų051.5 Ų51.50%030%0.3CS..Hα-helixtrans-58.1-45.8178.8-174.665.6000111.3T414 P446 L460 V461 S466 C467 H468 W483 L485 V492T414-L464 HydrophobicContact CG2-CD2 4.24Å; T414-L464 HydrophobicContact CG2-CG 3.94Å; T414-L464 WeakPolarHBondContact OG1-CD2 3.47Å; P446-L464 HydrophobicContact CB-CD2 4.12Å; L460-L464 WeakPolarHBondContact O-CB 3.43Å; L460-L464 PolarHBondContact O-N 2.96Å; V461-L464 PolarHBondContact O-N 2.71Å; L464-S466 VanDerWaalsContact C-N 3.32Å; L464-S466 PolarHBondContact O-N 3.28Å; L464-C467 PolarHBondContact O-N 3.48Å; L464-H468 PolarHBondContact O-CD2 3.03Å; L464-H468 VanDerWaalsContact O-CD2 3.27Å; L464-H468 PolarHBondContact O-N 3.33Å; L464-W483 VanDerWaalsContact CD1-O 3.3Å; L464-W483 WeakPolarHBondContact CD1-O 3.44Å; L464-L485 HydrophobicContact CB-CD2 4.27Å; L464-L485 HydrophobicContact CD2-CD2 3.91Å; L464-L485 HydrophobicContact CD2-CG 3.92Å; L464-V492 HydrophobicContact CB-CG2 4.26Å; L464-V492 HydrophobicContact CD1-CG1 3.72Å
465R94.4Very high91.6Very high84 Ų8453.4 Ų53.432%0.31730%0.299SS..Hα-helixtrans-59-42.1174.7-75.6-177.776.6-164.46.5112.4T414 I418 E421 L443 V461 A462 R463 C467 H468 N469T414-R465 HydrophobicContact CG2-CB 4.39Å; T414-R465 HydrophobicContact CG2-CG 3.76Å; I418-R465 HydrophobicContact CD1-CB 4.31Å; I418-R465 HydrophobicContact CD1-CG 4.37Å; E421-R465 VanDerWaalsContact CD-NH2 3.34Å; E421-R465 IonicContact OE1-NH2 3.91Å; E421-R465 PolarHBondContact OE1-NH2 3.31Å; E421-R465 IonicContact OE2-CZ 3.75Å; E421-R465 IonicContact OE2-NH2 3.56Å; E421-R465 PolarHBondContact OE2-NH2 2.96Å; L443-R465 HydrophobicContact CD2-CG 4.15Å; V461-R465 HydrophobicContact CG1-CG 4.4Å; V461-R465 WeakPolarHBondContact O-CB 3.33Å; V461-R465 VanDerWaalsContact O-CG 3.28Å; V461-R465 WeakPolarHBondContact O-CG 3.47Å; V461-R465 PolarHBondContact O-N 3.46Å; A462-R465 PolarHBondContact O-N 2.67Å; R463-R465 VanDerWaalsContact C-N 3.33Å; R463-R465 PolarHBondContact O-N 3.18Å; R465-C467 VanDerWaalsContact C-N 3.35Å; R465-C467 PolarHBondContact O-N 3.19Å; R465-H468 PolarHBondContact O-N 2.92Å; R465-N469 VanDerWaalsContact O-CB 3.25Å; R465-N469 WeakPolarHBondContact O-CB 3.41Å; R465-N469 PolarHBondContact O-N 3.31Å
466S93.6Very high91.4Very high70 Ų7059 Ų5949%0.4933%0.328SS..Hα-helixtrans-60.2-43.5177.2-172.40000112.1A462 R463 L464 S470A462-S466 PolarHBondContact O-N 3.12Å; R463-S466 WeakPolarHBondContact O-CB 3.42Å; R463-S466 PolarHBondContact O-N 3.48Å; R463-S466 VanDerWaalsContact O-N 3.08Å; L464-S466 VanDerWaalsContact C-N 3.32Å; L464-S466 PolarHBondContact O-N 3.28Å; S466-S470 WeakPolarHBondContact O-CB 3.37Å; S466-S470 PolarHBondContact O-N 3.4Å; S466-S470 PolarHBondContact O-OG 3.25Å
467C92.7Very high91.1Very high20 Ų2058.3 Ų58.314%0.13532%0.322CS..Hα-helixtrans-63.1-47.8177.7-63.90000111.9R463 L464 R465 S470 S471 N480 W483R463-C467 PolarHBondContact O-N 3.12Å; R463-C467 PolarHBondContact O-SG 2.96Å; R463-C467 VanDerWaalsContact O-SG 3.37Å; L464-C467 PolarHBondContact O-N 3.48Å; R465-C467 VanDerWaalsContact C-N 3.35Å; R465-C467 PolarHBondContact O-N 3.19Å; C467-S470 PolarHBondContact O-N 3.5Å; C467-S471 PolarHBondContact O-N 3.34Å; C467-N480 HydrophobicContact CB-CB 4.41Å; C467-N480 WeakPolarHBondContact O-CB 3.47Å; C467-W483 HydrophobicContact CB-CB 4.49Å; C467-W483 HydrophobicContact CB-CD2 4.49Å; C467-W483 HydrophobicContact CB-CE3 3.97Å; C467-W483 VanDerWaalsContact SG-CZ3 3.6Å
468H93.7Very high90.8Very high0 Ų059 Ų590%033%0.33CS..Hα-helixtrans-66.8-40.4178.7-81.2-80.2000112.6A411 T414 A415 I418 L464 R465 S470 S471 Q472 K481 W483A411-H468 PolarHBondContact O-CE1 2.81Å; A411-H468 VanDerWaalsContact O-CE1 3.24Å; T414-H468 HydrophobicContact CG2-CB 4.21Å; A415-H468 WeakPolarHBondContact CB-ND1 3.37Å; I418-H468 HydrophobicContact CG1-CB 4.31Å; L464-H468 PolarHBondContact O-CD2 3.03Å; L464-H468 VanDerWaalsContact O-CD2 3.27Å; L464-H468 PolarHBondContact O-N 3.33Å; R465-H468 PolarHBondContact O-N 2.92Å; H468-S470 VanDerWaalsContact C-N 3.34Å; H468-S470 PolarHBondContact O-N 3.18Å; H468-S471 WeakPolarHBondContact O-CB 3.26Å; H468-S471 PolarHBondContact O-N 2.79Å; H468-S471 PolarHBondContact O-OG 3.49Å; H468-Q472 PolarHBondContact O-N 3.2Å; H468-Q472 VanDerWaalsContact O-N 3.17Å; H468-K481 PolarHBondContact CE1-O 3.34Å; H468-K481 VanDerWaalsContact CE1-O 3.22Å; H468-W483 PolarHBondContact NE2-O 3.36Å
469N93.6Very high90.5Very high65 Ų6559.1 Ų59.135%0.34832%0.324SS..Hα-helixtrans-62.8-41.5174.8-174.454.1000112.3I418 R465 S471 Q472 S473I418-N469 HydrophobicContact CD1-CB 4.47Å; I418-N469 HydrophobicContact CG2-CB 4.11Å; R465-N469 VanDerWaalsContact O-CB 3.25Å; R465-N469 WeakPolarHBondContact O-CB 3.41Å; R465-N469 PolarHBondContact O-N 3.31Å; N469-S471 VanDerWaalsContact C-N 3.3Å; N469-S471 PolarHBondContact O-N 3.44Å; N469-Q472 PolarHBondContact O-N 2.65Å; N469-S473 WeakPolarHBondContact O-CB 3.47Å; N469-S473 PolarHBondContact O-N 3.25Å; N469-S473 PolarHBondContact O-OG 2.86Å
470S91.9Very high90.3Very high24 Ų2455.6 Ų55.617%0.16831%0.307CS..Hα-helixtrans-65-36.3175.2-55.90000111.7S466 C467 H468 Q472 S473 K474 Q477S466-S470 WeakPolarHBondContact O-CB 3.37Å; S466-S470 PolarHBondContact O-N 3.4Å; S466-S470 PolarHBondContact O-OG 3.25Å; C467-S470 PolarHBondContact O-N 3.5Å; H468-S470 VanDerWaalsContact C-N 3.34Å; H468-S470 PolarHBondContact O-N 3.18Å; S470-Q472 VanDerWaalsContact C-N 3.32Å; S470-Q472 PolarHBondContact O-N 3Å; S470-S473 PolarHBondContact O-N 3.41Å; S470-K474 WeakPolarHBondContact O-CB 3.22Å; S470-K474 PolarHBondContact O-N 3.45Å; S470-Q477 VanDerWaalsContact CB-OE1 3.23Å
471S90.1Very high90.1Very high13 Ų1358 Ų589%0.09132%0.318CS..Hα-helixtrans-64.5-32.8177.182.80000114.1C467 H468 N469 Q477C467-S471 PolarHBondContact O-N 3.34Å; H468-S471 WeakPolarHBondContact O-CB 3.26Å; H468-S471 PolarHBondContact O-N 2.79Å; H468-S471 PolarHBondContact O-OG 3.49Å; N469-S471 VanDerWaalsContact C-N 3.3Å; N469-S471 PolarHBondContact O-N 3.44Å; S471-Q477 WeakPolarHBondContact CA-O 3.45Å; S471-Q477 WeakPolarHBondContact CB-O 3.43Å
472Q88.7Confident89.9Confident56 Ų5658.5 Ų58.526%0.26232%0.319SS..Hα-helixtrans-85.9-28178.9-66.2-179.128.800112.2Y128 A415 H468 N469 S470Y128-Q472 PolarHBondContact OH-NE2 2.79Å; A415-Q472 PolarHBondContact O-NE2 3.29Å; H468-Q472 PolarHBondContact O-N 3.2Å; H468-Q472 VanDerWaalsContact O-N 3.17Å; N469-Q472 PolarHBondContact O-N 2.65Å; S470-Q472 VanDerWaalsContact C-N 3.32Å; S470-Q472 PolarHBondContact O-N 3Å
473S88.7Confident89.9Confident78 Ų7858.6 Ų58.655%0.54531%0.307SS..Hα-helixtrans-88.6-35.6-177.6-56.30000113.5N469 S470N469-S473 WeakPolarHBondContact O-CB 3.47Å; N469-S473 PolarHBondContact O-N 3.25Å; N469-S473 PolarHBondContact O-OG 2.86Å; S470-S473 PolarHBondContact O-N 3.41Å
474K88.4Confident89.9Confident115 Ų11554.1 Ų54.150%0.529%0.29SS..  trans-117.4118.9-173.9-63.7178.8-177.9174.70110.3S470 D476 Q477 A478S470-K474 WeakPolarHBondContact O-CB 3.22Å; S470-K474 PolarHBondContact O-N 3.45Å; K474-D476 PolarHBondContact O-N 3.33Å; K474-Q477 HydrophobicContact CB-CB 4.38Å; K474-Q477 PolarHBondContact O-N 3.29Å; K474-Q477 VanDerWaalsContact O-N 3.11Å; K474-A478 PolarHBondContact O-N 2.85Å
475P83.7Confident89.8Confident111 Ų11154.5 Ų54.572%0.72129%0.292SS*.G310 helixtrans-61.4-33.3179.524.3-33000112.5Q477 A478P475-Q477 PolarHBondContact O-N 3.22Å; P475-A478 VanDerWaalsContact O-CB 3.27Å; P475-A478 WeakPolarHBondContact O-CB 3.49Å; P475-A478 PolarHBondContact O-N 3.38Å; P475-A478 VanDerWaalsContact O-N 3.16Å
476D85.1Confident89.7Confident144 Ų14451.4 Ų51.477%0.7728%0.281SS*.G310 helixtrans-62.7-25.1178.9-55.8-25.7000113K474K474-D476 PolarHBondContact O-N 3.33Å
477Q84.9Confident89.5Confident67 Ų6749 Ų4931%0.31326%0.263SS..G310 helixtrans-108.317.9-178.2-66.3-175.2-13.900112.4S470 S471 K474 P475 H479 N480S470-Q477 VanDerWaalsContact CB-OE1 3.23Å; S471-Q477 WeakPolarHBondContact CA-O 3.45Å; S471-Q477 WeakPolarHBondContact CB-O 3.43Å; K474-Q477 HydrophobicContact CB-CB 4.38Å; K474-Q477 PolarHBondContact O-N 3.29Å; K474-Q477 VanDerWaalsContact O-N 3.11Å; P475-Q477 PolarHBondContact O-N 3.22Å; Q477-H479 PolarHBondContact O-N 3.34Å; Q477-N480 VanDerWaalsContact O-CB 3.3Å; Q477-N480 WeakPolarHBondContact O-CB 3.43Å; Q477-N480 PolarHBondContact O-N 3.45Å
478A84.9Confident89.1Confident43 Ų4354.4 Ų54.436%0.35529%0.29SS..G310 helixtrans-58.1-20.7178.200000113.4K474 P475 N480 K481K474-A478 PolarHBondContact O-N 2.85Å; P475-A478 VanDerWaalsContact O-CB 3.27Å; P475-A478 WeakPolarHBondContact O-CB 3.49Å; P475-A478 PolarHBondContact O-N 3.38Å; P475-A478 VanDerWaalsContact O-N 3.16Å; A478-N480 VanDerWaalsContact C-N 3.28Å; A478-N480 PolarHBondContact O-N 3.07Å; A478-K481 WeakPolarHBondContact O-CD 3.29Å; A478-K481 VanDerWaalsContact O-CG 3.25Å; A478-K481 WeakPolarHBondContact O-CG 3.15Å
479H87.2Confident88.8Confident100 Ų10060.2 Ų60.246%0.46332%0.321SS..G310 helixtrans-67.7-25.4174.268.5-86.2000113.1Q477 K481 W482Q477-H479 PolarHBondContact O-N 3.34Å; H479-K481 PolarHBondContact O-N 2.94Å; H479-W482 VanDerWaalsContact O-CD1 3.24Å; H479-W482 PolarHBondContact O-N 3.46Å; H479-W482 VanDerWaalsContact O-N 3.13Å
480N87.5Confident88.5Confident12 Ų1262.6 Ų62.66%0.06433%0.33CS..G310 helixtrans-64.4-10.4179.2-69.7-7.8000113.5C467 Q477 A478 W482 W483C467-N480 HydrophobicContact CB-CB 4.41Å; C467-N480 WeakPolarHBondContact O-CB 3.47Å; Q477-N480 VanDerWaalsContact O-CB 3.3Å; Q477-N480 WeakPolarHBondContact O-CB 3.43Å; Q477-N480 PolarHBondContact O-N 3.45Å; A478-N480 VanDerWaalsContact C-N 3.28Å; A478-N480 PolarHBondContact O-N 3.07Å; N480-W482 PolarHBondContact O-N 3.06Å; N480-W483 HydrophobicContact CB-CG 4.49Å; N480-W483 VanDerWaalsContact O-CB 3.29Å; N480-W483 WeakPolarHBondContact O-CB 3.4Å; N480-W483 PolarHBondContact O-N 3.5Å; N480-W483 VanDerWaalsContact O-N 3.12Å
481K87.6Confident88.4Confident56 Ų5667.3 Ų67.324%0.24335%0.345CS..G310 helixtrans-62.7-20.1172.375.9-176.11791700113.3H132 M133 H468 A478 H479 W483H132-K481 PolarHBondContact O-NZ 3.45Å; M133-K481 WeakPolarHBondContact CE-O 3.37Å; M133-K481 HydrophobicContact SD-CB 4.26Å; H468-K481 PolarHBondContact CE1-O 3.34Å; H468-K481 VanDerWaalsContact CE1-O 3.22Å; A478-K481 WeakPolarHBondContact O-CD 3.29Å; A478-K481 VanDerWaalsContact O-CG 3.25Å; A478-K481 WeakPolarHBondContact O-CG 3.15Å; H479-K481 PolarHBondContact O-N 2.94Å; K481-W483 VanDerWaalsContact C-N 3.31Å
482W90.7Very high88.5Confident16 Ų1666.9 Ų66.96%0.06134%0.343CS..G310 helixtrans-87.8-1.6178-57.7104.4000112.9M133 Y135 P407 H479 N480 D494 C495 K496M133-W482 WeakPolarHBondContact O-CH2 3.29Å; Y135-W482 HydrophobicContact CD2-CH2 4.33Å; Y135-W482 HydrophobicContact CG-CH2 4.42Å; P407-W482 HydrophobicContact CB-CE3 3.94Å; P407-W482 HydrophobicContact CB-CZ3 4.41Å; P407-W482 HydrophobicContact CG-CE3 3.8Å; P407-W482 HydrophobicContact CG-CZ3 4.04Å; H479-W482 VanDerWaalsContact O-CD1 3.24Å; H479-W482 PolarHBondContact O-N 3.46Å; H479-W482 VanDerWaalsContact O-N 3.13Å; N480-W482 PolarHBondContact O-N 3.06Å; W482-D494 WeakPolarHBondContact CB-OD1 3.46Å; W482-C495 VanDerWaalsContact O-CB 3.25Å; W482-C495 WeakPolarHBondContact O-CB 3.4Å; W482-C495 PolarHBondContact O-N 3.28Å; W482-C495 PolarHBondContact O-SG 3.11Å; W482-K496 HydrophobicContact CD2-CD 4.35Å; W482-K496 VanDerWaalsContact CD2-CE 3.45Å; W482-K496 HydrophobicContact CG-CD 4.22Å; W482-K496 HydrophobicContact CG-CG 4.48Å
483W92.6Very high88.6Confident62 Ų6265.5 Ų65.524%0.23534%0.34CS..EExtended strand (participates in β ladder)trans-78.3133-176-74.329.1000111.3A411 L464 C467 H468 N480 K481 V492 A493A411-W483 WeakPolarHBondContact CB-O 3.43Å; L464-W483 VanDerWaalsContact CD1-O 3.3Å; L464-W483 WeakPolarHBondContact CD1-O 3.44Å; C467-W483 HydrophobicContact CB-CB 4.49Å; C467-W483 HydrophobicContact CB-CD2 4.49Å; C467-W483 HydrophobicContact CB-CE3 3.97Å; C467-W483 VanDerWaalsContact SG-CZ3 3.6Å; H468-W483 PolarHBondContact NE2-O 3.36Å; N480-W483 HydrophobicContact CB-CG 4.49Å; N480-W483 VanDerWaalsContact O-CB 3.29Å; N480-W483 WeakPolarHBondContact O-CB 3.4Å; N480-W483 PolarHBondContact O-N 3.5Å; N480-W483 VanDerWaalsContact O-N 3.12Å; K481-W483 VanDerWaalsContact C-N 3.31Å; W483-V492 HydrophobicContact CB-CG1 3.77Å; W483-V492 HydrophobicContact CD2-CG1 4.31Å; W483-V492 HydrophobicContact CE3-CB 4.19Å; W483-V492 HydrophobicContact CE3-CG1 3.63Å; W483-V492 HydrophobicContact CG-CG1 4.43Å; W483-A493 CarbonylContact C-O 3.54Å; W483-A493 WeakPolarHBondContact CA-O 3.46Å
484G93.4Very high88.8Confident0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-134.7179.9178.900000112D486 V492 A493G484-D486 PolarHBondContact O-N 2.93Å; G484-V492 WeakPolarHBondContact O-CA 3.45Å; G484-V492 WeakPolarHBondContact O-CG1 3.34Å; G484-A493 PolarHBondContact N-O 2.89Å; G484-A493 PolarHBondContact O-N 3.22Å; G484-A493 VanDerWaalsContact O-N 3.1Å
485L92.7Very high88.9Confident9 Ų957.5 Ų57.55%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-77.2117.9178.1-61.6177.6000111A409 P446 L449 L460 L464 L487A409-L485 WeakPolarHBondContact CB-O 3.46Å; A409-L485 PolarHBondContact O-N 3.05Å; P446-L485 HydrophobicContact CB-CD1 3.8Å; P446-L485 VanDerWaalsContact O-CD1 3.31Å; P446-L485 WeakPolarHBondContact O-CD1 3.46Å; L449-L485 HydrophobicContact CB-CD1 4.29Å; L460-L485 HydrophobicContact CB-CD2 4.07Å; L464-L485 HydrophobicContact CB-CD2 4.27Å; L464-L485 HydrophobicContact CD2-CD2 3.91Å; L464-L485 HydrophobicContact CD2-CG 3.92Å; L485-L487 HydrophobicContact CB-CD2 4.03Å
486D92.3Very high89Confident18 Ų1856.2 Ų56.210%0.09628%0.28CS..EExtended strand (participates in β ladder)trans-93.3101164.1-175-10.6000108.8G484 N488 N489 Q490 Y491 A493 I498G484-D486 PolarHBondContact O-N 2.93Å; D486-N488 VanDerWaalsContact C-N 3.28Å; D486-N488 PolarHBondContact O-N 3.05Å; D486-N488 PolarHBondContact OD1-N 2.87Å; D486-N489 PolarHBondContact OD1-N 3.21Å; D486-N489 WeakPolarHBondContact OD2-CB 3.25Å; D486-N489 PolarHBondContact OD2-ND2 2.87Å; D486-Q490 WeakPolarHBondContact O-CA 3.48Å; D486-Q490 PolarHBondContact O-N 3.12Å; D486-Y491 WeakPolarHBondContact CB-O 3.43Å; D486-Y491 PolarHBondContact N-O 2.84Å; D486-Y491 PolarHBondContact O-N 3.29Å; D486-Y491 VanDerWaalsContact O-N 3.17Å; D486-A493 HydrophobicContact CB-CB 4.24Å; D486-I498 HydrophobicContact CB-CD1 4.05Å
487L88.3Confident89.1Confident19 Ų1957.4 Ų57.410%0.09928%0.281CS..THydrogen-bonded Turntrans-72.5-22.5-176.8-56.3-179.9000112.4P35 V36 L449 A453 L485P35-L487 HydrophobicContact CG-CD1 3.95Å; V36-L487 HydrophobicContact CG2-CD1 3.75Å; L449-L487 HydrophobicContact CB-CD1 4.37Å; A453-L487 HydrophobicContact CB-CB 4.23Å; A453-L487 HydrophobicContact CB-CD1 4.44Å; A453-L487 HydrophobicContact CB-CD2 4.04Å; A453-L487 HydrophobicContact CB-CG 4.46Å; L485-L487 HydrophobicContact CB-CD2 4.03Å
488N86Confident89.2Confident134 Ų13457.3 Ų57.372%0.71728%0.282SS*.THydrogen-bonded Turntrans-78.1-46.6179.9-67.1-24.8000110.9D486 Q490D486-N488 VanDerWaalsContact C-N 3.28Å; D486-N488 PolarHBondContact O-N 3.05Å; D486-N488 PolarHBondContact OD1-N 2.87Å; N488-Q490 VanDerWaalsContact C-N 3.31Å
489N87.6Confident89.4Confident122 Ų12255.6 Ų55.665%0.65227%0.268SS*.THydrogen-bonded Turntrans-86.7-2.1178.7-66.8-44.7000113.3D486 Y491D486-N489 PolarHBondContact OD1-N 3.21Å; D486-N489 WeakPolarHBondContact OD2-CB 3.25Å; D486-N489 PolarHBondContact OD2-ND2 2.87Å; N489-Y491 PolarHBondContact O-N 3Å
490Q87.4Confident89.7Confident115 Ų11552.4 Ų52.454%0.53726%0.256SS..THydrogen-bonded Turntrans53.740.1-178.7-51.7-178.113.100112.3V455 L460 D486 N488V455-Q490 HydrophobicContact CG1-CB 4.29Å; V455-Q490 HydrophobicContact CG1-CG 4.45Å; V455-Q490 HydrophobicContact CG2-CG 3.89Å; L460-Q490 WeakPolarHBondContact CD2-O 3.23Å; D486-Q490 WeakPolarHBondContact O-CA 3.48Å; D486-Q490 PolarHBondContact O-N 3.12Å; N488-Q490 VanDerWaalsContact C-N 3.31Å
491Y89.4Confident89.9Confident123 Ų12351.9 Ų51.948%0.48225%0.253SS..EExtended strand (participates in β ladder)trans-143176.5-176.6-156.1-110.3000111.6D486 N489D486-Y491 WeakPolarHBondContact CB-O 3.43Å; D486-Y491 PolarHBondContact N-O 2.84Å; D486-Y491 PolarHBondContact O-N 3.29Å; D486-Y491 VanDerWaalsContact O-N 3.17Å; N489-Y491 PolarHBondContact O-N 3Å
492V91.3Very high90.2Very high5 Ų550.8 Ų50.83%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-100.1124.5174.4-174.60000108.3R463 L464 W483 G484R463-V492 HydrophobicContact CB-CG2 3.88Å; L464-V492 HydrophobicContact CB-CG2 4.26Å; L464-V492 HydrophobicContact CD1-CG1 3.72Å; W483-V492 HydrophobicContact CB-CG1 3.77Å; W483-V492 HydrophobicContact CD2-CG1 4.31Å; W483-V492 HydrophobicContact CE3-CB 4.19Å; W483-V492 HydrophobicContact CE3-CG1 3.63Å; W483-V492 HydrophobicContact CG-CG1 4.43Å; G484-V492 WeakPolarHBondContact O-CA 3.45Å; G484-V492 WeakPolarHBondContact O-CG1 3.34Å
493A92Very high90.3Very high26 Ų2650 Ų5022%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-137.2163.7-177.500000111.5W483 G484 D486 C495 I498W483-A493 CarbonylContact C-O 3.54Å; W483-A493 WeakPolarHBondContact CA-O 3.46Å; G484-A493 PolarHBondContact N-O 2.89Å; G484-A493 PolarHBondContact O-N 3.22Å; G484-A493 VanDerWaalsContact O-N 3.1Å; D486-A493 HydrophobicContact CB-CB 4.24Å; A493-C495 PolarHBondContact O-N 2.96Å; A493-I498 HydrophobicContact CB-CD1 3.78Å; A493-I498 HydrophobicContact CB-CG1 4.22Å
494D92.2Very high90.3Very high26 Ų2647.6 Ų47.614%0.13924%0.238CC..EExtended strand (participates in β ladder)trans-71119-179.3-170.8-19.1000110.4W482 K496 E497 I498W482-D494 WeakPolarHBondContact CB-OD1 3.46Å; D494-K496 PolarHBondContact O-N 3.27Å; D494-K496 WeakPolarHBondContact OD1-CB 3.31Å; D494-K496 PolarHBondContact OD1-N 2.89Å; D494-E497 HydrophobicContact CB-CG 4.19Å; D494-E497 PolarHBondContact O-N 3.1Å; D494-I498 WeakPolarHBondContact O-CG1 3.48Å; D494-I498 PolarHBondContact O-N 3.34Å; D494-I498 VanDerWaalsContact O-N 3.13Å
495C90.1Very high90.3Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-57.2-22.9177.3-67.80000113.1P407 W482 A493 G499 V500P407-C495 HydrophobicContact CB-CB 3.84Å; W482-C495 VanDerWaalsContact O-CB 3.25Å; W482-C495 WeakPolarHBondContact O-CB 3.4Å; W482-C495 PolarHBondContact O-N 3.28Å; W482-C495 PolarHBondContact O-SG 3.11Å; A493-C495 PolarHBondContact O-N 2.96Å; C495-G499 WeakPolarHBondContact O-CA 3.41Å; C495-G499 PolarHBondContact O-N 2.82Å; C495-V500 PolarHBondContact O-N 3.03Å
496K86.5Confident90.4Very high84 Ų8449.1 Ų49.137%0.36525%0.248SC..Hα-helixtrans-68.8-37.7173.9-68.1178.1174.1172.70113W482 D494 F501W482-K496 HydrophobicContact CD2-CD 4.35Å; W482-K496 VanDerWaalsContact CD2-CE 3.45Å; W482-K496 HydrophobicContact CG-CD 4.22Å; W482-K496 HydrophobicContact CG-CG 4.48Å; D494-K496 PolarHBondContact O-N 3.27Å; D494-K496 WeakPolarHBondContact OD1-CB 3.31Å; D494-K496 PolarHBondContact OD1-N 2.89Å; K496-F501 HydrophobicContact CB-CZ 4.34Å; K496-F501 HydrophobicContact CG-CE1 4.26Å; K496-F501 HydrophobicContact CG-CZ 4Å
497E86.8Confident90.4Very high169 Ų16949 Ų4979%0.7925%0.246SC*.Hα-helixtrans-76.2-39.9178.5-64.9-175.416600110.7D494 G499D494-E497 HydrophobicContact CB-CG 4.19Å; D494-E497 PolarHBondContact O-N 3.1Å; E497-G499 VanDerWaalsContact C-N 3.27Å; E497-G499 PolarHBondContact O-N 3.46Å
498I87.9Confident90.7Very high64 Ų6448.9 Ų48.933%0.32825%0.245SC..Hα-helixtrans-71.1-27176.5-48.2166.5000111D486 A493 D494 V500D486-I498 HydrophobicContact CB-CD1 4.05Å; A493-I498 HydrophobicContact CB-CD1 3.78Å; A493-I498 HydrophobicContact CB-CG1 4.22Å; D494-I498 WeakPolarHBondContact O-CG1 3.48Å; D494-I498 PolarHBondContact O-N 3.34Å; D494-I498 VanDerWaalsContact O-N 3.13Å; I498-V500 HydrophobicContact CB-CG2 4.11Å; I498-V500 HydrophobicContact CG2-CG2 3.58Å
499G87.9Confident91.1Very high7 Ų744.6 Ų44.67%0.07222%0.22CC..THydrogen-bonded Turntrans79.428.1-176.200000113.8N147 C495 E497N147-G499 WeakPolarHBondContact CB-O 3.36Å; C495-G499 WeakPolarHBondContact O-CA 3.41Å; C495-G499 PolarHBondContact O-N 2.82Å; E497-G499 VanDerWaalsContact C-N 3.27Å; E497-G499 PolarHBondContact O-N 3.46Å
500V92.7Very high91.5Very high33 Ų3339.3 Ų39.320%0.219%0.193CC..  trans-97.2105.7-178.1-179.50000110.3T151 G408 A409 C495 I498T151-V500 HydrophobicContact CG2-CG1 3.83Å; G408-V500 PolarHBondContact N-O 3.09Å; A409-V500 HydrophobicContact CB-CG1 4.17Å; C495-V500 PolarHBondContact O-N 3.03Å; I498-V500 HydrophobicContact CB-CG2 4.11Å; I498-V500 HydrophobicContact CG2-CG2 3.58Å
501F93Very high91.9Very high2 Ų234.2 Ų34.21%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-133.7144.3-175.8-65.3-71.1000111.6L140 N147 V148 T151 I405 V406 K496L140-F501 HydrophobicContact CD1-CE2 4.26Å; L140-F501 HydrophobicContact CD1-CZ 4.23Å; N147-F501 HydrophobicContact CB-CD2 4.18Å; V148-F501 HydrophobicContact CG2-CB 3.62Å; T151-F501 WeakPolarHBondContact CB-O 3.32Å; T151-F501 WeakPolarHBondContact CG2-O 3.25Å; T151-F501 PolarHBondContact OG1-N 3.13Å; T151-F501 PolarHBondContact OG1-O 3.5Å; I405-F501 HydrophobicContact CB-CB 4.43Å; I405-F501 HydrophobicContact CD1-CB 4.1Å; I405-F501 HydrophobicContact CD1-CD1 3.71Å; I405-F501 HydrophobicContact CD1-CD2 4.29Å; I405-F501 HydrophobicContact CD1-CE1 4.12Å; I405-F501 HydrophobicContact CD1-CG 3.78Å; I405-F501 HydrophobicContact CG1-CD1 4.39Å; V406-F501 WeakPolarHBondContact O-CA 3.4Å; K496-F501 HydrophobicContact CB-CZ 4.34Å; K496-F501 HydrophobicContact CG-CE1 4.26Å; K496-F501 HydrophobicContact CG-CZ 4Å
502E93.1Very high92.2Very high32 Ų3233.3 Ų33.315%0.1517%0.168CC..EExtended strand (participates in β ladder)trans-123.2154.6176-67-179-135.100110.6T151 I405 V406 G408 K507T151-E502 HydrophobicContact CG2-CG 4.21Å; I405-E502 CarbonylContact C-O 3.49Å; I405-E502 VanDerWaalsContact CA-O 3.31Å; I405-E502 WeakPolarHBondContact CA-O 3.17Å; V406-E502 HydrophobicContact CG2-CB 4.17Å; V406-E502 WeakPolarHBondContact CG2-O 3.13Å; V406-E502 PolarHBondContact N-O 3.31Å; V406-E502 PolarHBondContact O-N 3.16Å; G408-E502 WeakPolarHBondContact CA-OE1 3.34Å; E502-K507 VanDerWaalsContact CD-CE 3.47Å; E502-K507 IonicContact OE1-NZ 3.93Å; E502-K507 PolarHBondContact OE1-NZ 2.83Å; E502-K507 WeakPolarHBondContact OE2-CE 3.14Å; E502-K507 IonicContact OE2-NZ 3.96Å; E502-K507 PolarHBondContact OE2-NZ 3.35Å
503P92.9Very high92.5Very high1 Ų135.4 Ų35.41%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-66.2135.8175.2-14.226.9000111.2V148 V395 R398 V399 V505 S506V148-P503 HydrophobicContact CG1-CG 4.46Å; V395-P503 HydrophobicContact CB-CG 4.36Å; V395-P503 HydrophobicContact CG1-CG 3.42Å; V395-P503 VanDerWaalsContact CG1-CG 3.42Å; R398-P503 HydrophobicContact CB-CB 4.35Å; V399-P503 HydrophobicContact CG2-CB 3.94Å; V399-P503 HydrophobicContact CG2-CG 3.78Å; P503-V505 PolarHBondContact O-N 2.87Å; P503-S506 WeakPolarHBondContact O-CB 3.14Å; P503-S506 PolarHBondContact O-N 3.46Å
504L93.7Very high92.7Very high10 Ų1034.2 Ų34.25%0.05217%0.167CC..Hα-helixtrans-55.3-39.3175.3174.765.9000112I129 A134 R404 V406 S506 K507 I508I129-L504 HydrophobicContact CG2-CD1 3.48Å; I129-L504 VanDerWaalsContact CG2-CD1 3.48Å; A134-L504 HydrophobicContact CB-CD1 4.36Å; A134-L504 HydrophobicContact CB-CD2 4.09Å; R404-L504 HydrophobicContact CB-CB 3.92Å; R404-L504 HydrophobicContact CB-CD2 3.69Å; R404-L504 HydrophobicContact CB-CG 4.45Å; R404-L504 HydrophobicContact CG-CD2 4.27Å; R404-L504 WeakPolarHBondContact O-CB 3.46Å; R404-L504 PolarHBondContact O-N 2.89Å; R404-L504 VanDerWaalsContact O-N 3.13Å; V406-L504 HydrophobicContact CG1-CB 4.13Å; V406-L504 HydrophobicContact CG1-CD1 3.53Å; V406-L504 HydrophobicContact CG1-CG 4.45Å; L504-S506 VanDerWaalsContact C-N 3.27Å; L504-S506 PolarHBondContact O-N 2.72Å; L504-K507 PolarHBondContact O-N 3.22Å; L504-I508 HydrophobicContact CD1-CD1 3.75Å; L504-I508 HydrophobicContact CD1-CG1 4.15Å; L504-I508 HydrophobicContact CD2-CD1 4.22Å; L504-I508 HydrophobicContact CG-CD1 3.66Å; L504-I508 HydrophobicContact CG-CG1 4.4Å; L504-I508 WeakPolarHBondContact O-CG1 3.4Å; L504-I508 PolarHBondContact O-N 3.03Å
505V92.7Very high92.9Very high40 Ų4033 Ų3324%0.24216%0.16CC..Hα-helixtrans-61-37.5-179.6-179.80000111.4P503 K509P503-V505 PolarHBondContact O-N 2.87Å; V505-K509 HydrophobicContact CG1-CD 4Å; V505-K509 HydrophobicContact CG1-CG 4.3Å; V505-K509 WeakPolarHBondContact O-CB 3.28Å; V505-K509 WeakPolarHBondContact O-CG 3.13Å; V505-K509 PolarHBondContact O-N 3.2Å
506S93.7Very high93.1Very high2 Ų237.5 Ų37.51%0.01418%0.181CC..Hα-helixtrans-59.6-57.9178.4-179.60000110.4P503 L504 I508 K509 S510P503-S506 WeakPolarHBondContact O-CB 3.14Å; P503-S506 PolarHBondContact O-N 3.46Å; L504-S506 VanDerWaalsContact C-N 3.27Å; L504-S506 PolarHBondContact O-N 2.72Å; S506-I508 PolarHBondContact O-N 3.42Å; S506-K509 PolarHBondContact O-N 3.34Å; S506-S510 WeakPolarHBondContact O-CB 3.3Å; S506-S510 PolarHBondContact O-N 3.02Å; S506-S510 PolarHBondContact O-OG 3Å
507K94Very high93.6Very high15 Ų1534 Ų347%0.06517%0.168CC..Hα-helixtrans-58.7-42.8-179.3-65.5-56.4-163.8-165.10113.4V406 E413 E502 L504 L511V406-K507 HydrophobicContact CG2-CG 3.69Å; E413-K507 WeakPolarHBondContact OE1-CE 3.39Å; E413-K507 IonicContact OE1-NZ 3.06Å; E413-K507 PolarHBondContact OE1-NZ 3.17Å; E413-K507 IonicContact OE2-NZ 2.65Å; E502-K507 VanDerWaalsContact CD-CE 3.47Å; E502-K507 IonicContact OE1-NZ 3.93Å; E502-K507 PolarHBondContact OE1-NZ 2.83Å; E502-K507 WeakPolarHBondContact OE2-CE 3.14Å; E502-K507 IonicContact OE2-NZ 3.96Å; E502-K507 PolarHBondContact OE2-NZ 3.35Å; L504-K507 PolarHBondContact O-N 3.22Å; K507-L511 WeakPolarHBondContact O-CB 3.21Å; K507-L511 WeakPolarHBondContact O-CG 3.37Å; K507-L511 PolarHBondContact O-N 3.46Å
508I94.7Very high94Very high17 Ų1725.9 Ų25.99%0.08713%0.13CC..Hα-helixtrans-64.7-46.9-179.5-66.5171.5000111Q130 L504 S506 K512Q130-I508 HydrophobicContact CG-CD1 3.61Å; L504-I508 HydrophobicContact CD1-CD1 3.75Å; L504-I508 HydrophobicContact CD1-CG1 4.15Å; L504-I508 HydrophobicContact CD2-CD1 4.22Å; L504-I508 HydrophobicContact CG-CD1 3.66Å; L504-I508 HydrophobicContact CG-CG1 4.4Å; L504-I508 WeakPolarHBondContact O-CG1 3.4Å; L504-I508 PolarHBondContact O-N 3.03Å; S506-I508 PolarHBondContact O-N 3.42Å; I508-K512 HydrophobicContact CG2-CD 4.24Å; I508-K512 WeakPolarHBondContact O-CG 3.43Å; I508-K512 PolarHBondContact O-N 2.96Å
509K94.5Very high94.3Very high44 Ų4422.9 Ų22.919%0.19112%0.115CC..Hα-helixtrans-67.3-45.3-180-77.7-171.6-179.9-1770111E82 V83 V505 S506 L511 K512 F513E82-K509 HydrophobicContact CB-CD 4.29Å; E82-K509 PolarHBondContact O-NZ 3.13Å; E82-K509 IonicContact OE2-NZ 3.62Å; E82-K509 PolarHBondContact OE2-NZ 3.01Å; V83-K509 HydrophobicContact CG2-CB 3.95Å; V83-K509 HydrophobicContact CG2-CD 3.56Å; V83-K509 HydrophobicContact CG2-CG 4.34Å; V505-K509 HydrophobicContact CG1-CD 4Å; V505-K509 HydrophobicContact CG1-CG 4.3Å; V505-K509 WeakPolarHBondContact O-CB 3.28Å; V505-K509 WeakPolarHBondContact O-CG 3.13Å; V505-K509 PolarHBondContact O-N 3.2Å; S506-K509 PolarHBondContact O-N 3.34Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 3.17Å; K509-K512 PolarHBondContact O-N 3.46Å; K509-K512 VanDerWaalsContact O-N 3.13Å; K509-F513 HydrophobicContact CB-CD2 4.17Å; K509-F513 HydrophobicContact CB-CE2 3.75Å; K509-F513 HydrophobicContact CB-CZ 4.17Å; K509-F513 HydrophobicContact CD-CE2 4.15Å; K509-F513 HydrophobicContact CD-CZ 4.16Å; K509-F513 HydrophobicContact CG-CE2 4.25Å; K509-F513 HydrophobicContact CG-CZ 4.23Å; K509-F513 WeakPolarHBondContact O-CB 3.43Å; K509-F513 WeakPolarHBondContact O-CD2 3.41Å; K509-F513 VanDerWaalsContact O-CG 3.25Å; K509-F513 WeakPolarHBondContact O-CG 3.49Å; K509-F513 PolarHBondContact O-N 3.47Å
510S95Very high94.6Very high11 Ų1125.9 Ų25.98%0.07713%0.131CC..Hα-helixtrans-55.6-44.5176.7-58.90000112Q79 V90 S506 A514Q79-S510 PolarHBondContact NE2-OG 2.9Å; V90-S510 WeakPolarHBondContact CG2-O 3.31Å; S506-S510 WeakPolarHBondContact O-CB 3.3Å; S506-S510 PolarHBondContact O-N 3.02Å; S506-S510 PolarHBondContact O-OG 3Å; S510-A514 WeakPolarHBondContact O-CB 3.27Å; S510-A514 PolarHBondContact O-N 3.07Å
511L95.6Very high94.7Very high7 Ų724.4 Ų24.44%0.03712%0.123CC..Hα-helixtrans-63-45.2177.5-79.6167.3000112.7L93 I129 F438 M442 K507 K509 T515L93-L511 HydrophobicContact CD2-CD2 3.66Å; I129-L511 HydrophobicContact CD1-CD1 3.34Å; F438-L511 HydrophobicContact CZ-CD2 4.49Å; M442-L511 HydrophobicContact CE-CD2 3.65Å; M442-L511 HydrophobicContact SD-CD2 3.48Å; M442-L511 WeakPolarHBondContact SD-CD2 3.31Å; K507-L511 WeakPolarHBondContact O-CB 3.21Å; K507-L511 WeakPolarHBondContact O-CG 3.37Å; K507-L511 PolarHBondContact O-N 3.46Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 3.17Å; L511-T515 VanDerWaalsContact O-CB 3.28Å; L511-T515 WeakPolarHBondContact O-CB 3.42Å; L511-T515 VanDerWaalsContact O-N 3.07Å; L511-T515 PolarHBondContact O-N 3.19Å; L511-T515 PolarHBondContact O-OG1 3.42Å
512K96.2Very high94.6Very high104 Ų10424.8 Ų24.845%0.45212%0.124SC..Hα-helixtrans-64.9-48.5179.4-72.7178.2178.4-176.40111.3I508 K509 T515 E516I508-K512 HydrophobicContact CG2-CD 4.24Å; I508-K512 WeakPolarHBondContact O-CG 3.43Å; I508-K512 PolarHBondContact O-N 2.96Å; K509-K512 PolarHBondContact O-N 3.46Å; K509-K512 VanDerWaalsContact O-N 3.13Å; K512-T515 PolarHBondContact O-N 2.86Å; K512-E516 WeakPolarHBondContact O-CG 3.46Å; K512-E516 PolarHBondContact O-N 3.36Å
513F96.5Very high94.6Very high50 Ų5030 Ų3022%0.21914%0.143CC..Hα-helixtrans-67-43.6-177.4-59.6-29000111.9L75 L78 Q79 E82 V90 K509 T515 E516 A517L75-F513 HydrophobicContact CD1-CB 3.43Å; L75-F513 VanDerWaalsContact CD1-CB 3.43Å; L78-F513 HydrophobicContact CD2-CD1 3.87Å; L78-F513 HydrophobicContact CD2-CD2 3.45Å; L78-F513 VanDerWaalsContact CD2-CD2 3.45Å; L78-F513 HydrophobicContact CD2-CE1 3.67Å; L78-F513 HydrophobicContact CD2-CE2 3.23Å; L78-F513 HydrophobicContact CD2-CG 3.78Å; L78-F513 HydrophobicContact CD2-CZ 3.35Å; Q79-F513 VanDerWaalsContact OE1-CD2 3.27Å; E82-F513 HydrophobicContact CB-CE2 4.25Å; E82-F513 HydrophobicContact CB-CZ 4.46Å; E82-F513 HydrophobicContact CG-CZ 4.37Å; V90-F513 HydrophobicContact CG2-CB 4.27Å; K509-F513 HydrophobicContact CB-CD2 4.17Å; K509-F513 HydrophobicContact CB-CE2 3.75Å; K509-F513 HydrophobicContact CB-CZ 4.17Å; K509-F513 HydrophobicContact CD-CE2 4.15Å; K509-F513 HydrophobicContact CD-CZ 4.16Å; K509-F513 HydrophobicContact CG-CE2 4.25Å; K509-F513 HydrophobicContact CG-CZ 4.23Å; K509-F513 WeakPolarHBondContact O-CB 3.43Å; K509-F513 WeakPolarHBondContact O-CD2 3.41Å; K509-F513 VanDerWaalsContact O-CG 3.25Å; K509-F513 WeakPolarHBondContact O-CG 3.49Å; K509-F513 PolarHBondContact O-N 3.47Å; F513-T515 VanDerWaalsContact C-N 3.31Å; F513-T515 PolarHBondContact O-N 2.66Å; F513-E516 PolarHBondContact O-N 3Å; F513-A517 WeakPolarHBondContact O-CB 3.34Å; F513-A517 PolarHBondContact O-N 3.41Å
514A96.2Very high94.5Very high0 Ų032 Ų320%015%0.153CC..Hα-helixtrans-60.5-41174.800000112.1V90 L93 A94 L97 S510 A518V90-A514 HydrophobicContact CG2-CB 3.91Å; L93-A514 HydrophobicContact CB-CB 4.16Å; L93-A514 HydrophobicContact CD2-CB 3.9Å; L93-A514 HydrophobicContact CG-CB 3.99Å; A94-A514 HydrophobicContact CB-CB 4.12Å; L97-A514 HydrophobicContact CD1-CB 4.46Å; S510-A514 WeakPolarHBondContact O-CB 3.27Å; S510-A514 PolarHBondContact O-N 3.07Å; A514-A518 WeakPolarHBondContact O-CB 3.29Å; A514-A518 PolarHBondContact O-N 3.48Å
515T96.5Very high94.3Very high1 Ų136 Ų361%0.00617%0.174CC..Hα-helixtrans-66.2-46178.6-56.90000111.5C122 F438 L511 K512 F513 A518 I519C122-T515 HydrophobicContact CB-CG2 3.97Å; F438-T515 HydrophobicContact CE2-CG2 4.3Å; L511-T515 VanDerWaalsContact O-CB 3.28Å; L511-T515 WeakPolarHBondContact O-CB 3.42Å; L511-T515 VanDerWaalsContact O-N 3.07Å; L511-T515 PolarHBondContact O-N 3.19Å; L511-T515 PolarHBondContact O-OG1 3.42Å; K512-T515 PolarHBondContact O-N 2.86Å; F513-T515 VanDerWaalsContact C-N 3.31Å; F513-T515 PolarHBondContact O-N 2.66Å; T515-A518 PolarHBondContact O-N 3.44Å; T515-I519 WeakPolarHBondContact O-CB 3.16Å; T515-I519 PolarHBondContact O-N 3.37Å; T515-I519 WeakPolarHBondContact O-CG1 3.4Å; T515-I519 HydrophobicContact CG2-CG1 4.43Å; T515-I519 HydrophobicContact CG2-CD1 3.75Å
516E95.7Very high94.1Very high94 Ų9436.4 Ų36.444%0.43918%0.175SC..Hα-helixtrans-66.6-38.1178.5-72.3-58.2141.200112.4K512 F513 I519 T520K512-E516 WeakPolarHBondContact O-CG 3.46Å; K512-E516 PolarHBondContact O-N 3.36Å; F513-E516 PolarHBondContact O-N 3Å; E516-I519 PolarHBondContact O-N 3.25Å; E516-T520 WeakPolarHBondContact O-CB 3.44Å; E516-T520 PolarHBondContact O-N 3.32Å; E516-T520 PolarHBondContact O-OG1 3.34Å
517A95.4Very high93.9Very high10 Ų1038.4 Ų38.48%0.08319%0.185CC..Hα-helixtrans-62.6-46.2173.700000111.6I71 L75 F513 I519 T520 I521I71-A517 HydrophobicContact CG2-CB 4.34Å; L75-A517 HydrophobicContact CD1-CB 4.2Å; L75-A517 HydrophobicContact CD2-CB 3.75Å; L75-A517 HydrophobicContact CG-CB 4.43Å; F513-A517 WeakPolarHBondContact O-CB 3.34Å; F513-A517 PolarHBondContact O-N 3.41Å; A517-I519 PolarHBondContact O-N 3.03Å; A517-T520 PolarHBondContact O-N 3.5Å; A517-I521 WeakPolarHBondContact O-CG1 3.25Å; A517-I521 PolarHBondContact O-N 3.08Å
518A95.5Very high93.7Very high0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-62-44.2176.800000111.9L97 L98 A514 T515 T520 I521 L522L97-A518 HydrophobicContact CB-CB 3.9Å; L97-A518 HydrophobicContact CD1-CB 4.33Å; L98-A518 HydrophobicContact CD2-CB 4.08Å; L98-A518 WeakPolarHBondContact CD2-O 3.47Å; L98-A518 HydrophobicContact CG-CB 4.11Å; A514-A518 WeakPolarHBondContact O-CB 3.29Å; A514-A518 PolarHBondContact O-N 3.48Å; T515-A518 PolarHBondContact O-N 3.44Å; A518-T520 VanDerWaalsContact C-N 3.33Å; A518-T520 PolarHBondContact O-N 3.44Å; A518-I521 PolarHBondContact O-N 2.92Å; A518-L522 VanDerWaalsContact O-CG 3.22Å; A518-L522 WeakPolarHBondContact O-CG 3.32Å; A518-L522 PolarHBondContact O-N 3.39Å; A518-L522 WeakPolarHBondContact O-CB 3.41Å
519I95Very high93.3Very high1 Ų148.1 Ų48.11%0.00523%0.231CC..Hα-helixtrans-61.5-42.3176.7-71.2167000111.3I115 R119 T515 E516 A517 L522 R523I115-I519 HydrophobicContact CD1-CG2 4.41Å; I115-I519 HydrophobicContact CG1-CG1 4.38Å; I115-I519 HydrophobicContact CG1-CG2 4.17Å; I115-I519 HydrophobicContact CG2-CB 4.48Å; I115-I519 HydrophobicContact CG2-CD1 4.22Å; I115-I519 HydrophobicContact CG2-CG1 4.07Å; I115-I519 HydrophobicContact CG2-CG2 3.65Å; R119-I519 HydrophobicContact CG-CD1 3.54Å; T515-I519 WeakPolarHBondContact O-CB 3.16Å; T515-I519 PolarHBondContact O-N 3.37Å; T515-I519 WeakPolarHBondContact O-CG1 3.4Å; T515-I519 HydrophobicContact CG2-CG1 4.43Å; T515-I519 HydrophobicContact CG2-CD1 3.75Å; E516-I519 PolarHBondContact O-N 3.25Å; A517-I519 PolarHBondContact O-N 3.03Å; I519-L522 PolarHBondContact O-N 3.01Å; I519-R523 VanDerWaalsContact O-CG 3.29Å; I519-R523 WeakPolarHBondContact O-CG 3.46Å; I519-R523 PolarHBondContact O-N 2.98Å; I519-R523 VanDerWaalsContact O-N 3.16Å
520T94.5Very high92.9Very high69 Ų6951 Ų5142%0.42325%0.248SC..Hα-helixtrans-61.8-45.8179.8-59.70000110.7I71 E516 A517 A518 R523I71-T520 HydrophobicContact CD1-CG2 4.34Å; E516-T520 WeakPolarHBondContact O-CB 3.44Å; E516-T520 PolarHBondContact O-N 3.32Å; E516-T520 PolarHBondContact O-OG1 3.34Å; A517-T520 PolarHBondContact O-N 3.5Å; A518-T520 VanDerWaalsContact C-N 3.33Å; A518-T520 PolarHBondContact O-N 3.44Å; T520-R523 PolarHBondContact O-N 2.94Å
521I93.9Very high92.3Very high3 Ų357.9 Ų57.92%0.01528%0.276CS..Hα-helixtrans-68.6-38.8178.8-67.3165.6000111.6N18 A68 I71 L72 L98 A517 A518 R523 I524N18-I521 HydrophobicContact CB-CG2 3.75Å; A68-I521 HydrophobicContact CB-CD1 4.35Å; A68-I521 HydrophobicContact CB-CG1 4.41Å; A68-I521 HydrophobicContact CB-CG2 4.29Å; I71-I521 HydrophobicContact CB-CD1 4.27Å; I71-I521 HydrophobicContact CB-CG1 4.47Å; I71-I521 HydrophobicContact CD1-CG1 3.84Å; I71-I521 HydrophobicContact CG2-CD1 4.06Å; I71-I521 HydrophobicContact CG2-CG1 4.26Å; L72-I521 HydrophobicContact CD2-CD1 4.49Å; L98-I521 HydrophobicContact CD1-CB 4.24Å; L98-I521 HydrophobicContact CD1-CD1 3.76Å; L98-I521 HydrophobicContact CD1-CG2 3.98Å; L98-I521 HydrophobicContact CD2-CB 3.94Å; L98-I521 HydrophobicContact CD2-CG2 3.83Å; A517-I521 WeakPolarHBondContact O-CG1 3.25Å; A517-I521 PolarHBondContact O-N 3.08Å; A518-I521 PolarHBondContact O-N 2.92Å; I521-R523 PolarHBondContact O-N 3.33Å; I521-I524 WeakPolarHBondContact O-CB 3.36Å; I521-I524 PolarHBondContact O-N 3.26Å
522L91.9Very high91.6Very high9 Ų966.5 Ų66.55%0.04732%0.316CS..Hα-helixtrans-65.5-24.2178.2-75.5167.9000113.9L98 A101 I105 Y118 A518 I519 I524L98-L522 HydrophobicContact CD2-CD1 4.38Å; L98-L522 HydrophobicContact CD2-CD2 4.11Å; L98-L522 HydrophobicContact CD2-CG 3.74Å; A101-L522 HydrophobicContact CB-CD1 3.62Å; A101-L522 HydrophobicContact CB-CD2 3.61Å; A101-L522 HydrophobicContact CB-CG 4.24Å; I105-L522 HydrophobicContact CD1-CD2 3.87Å; Y118-L522 HydrophobicContact CE2-CD1 4.3Å; A518-L522 VanDerWaalsContact O-CG 3.22Å; A518-L522 WeakPolarHBondContact O-CG 3.32Å; A518-L522 PolarHBondContact O-N 3.39Å; A518-L522 WeakPolarHBondContact O-CB 3.41Å; I519-L522 PolarHBondContact O-N 3.01Å; L522-I524 VanDerWaalsContact C-N 3.28Å
523R91.8Very high90.7Very high143 Ų14370.4 Ų70.454%0.5434%0.336SS..THydrogen-bonded Turntrans-76.6-15.2177.1-75.8171.5169-160.4-9.7113.3I115 I519 T520 I521 D525I115-R523 HydrophobicContact CD1-CG 3.61Å; I519-R523 VanDerWaalsContact O-CG 3.29Å; I519-R523 WeakPolarHBondContact O-CG 3.46Å; I519-R523 PolarHBondContact O-N 2.98Å; I519-R523 VanDerWaalsContact O-N 3.16Å; T520-R523 PolarHBondContact O-N 2.94Å; I521-R523 PolarHBondContact O-N 3.33Å; R523-D525 PolarHBondContact O-N 3.21Å
524I91Very high89.2Confident43 Ų4377.6 Ų77.622%0.22137%0.367CS..  trans-75.7114-178.9-55.6172.6000108.7V14 I521 L522V14-I524 HydrophobicContact CG1-CG2 3.9Å; I521-I524 WeakPolarHBondContact O-CB 3.36Å; I521-I524 PolarHBondContact O-N 3.26Å; L522-I524 VanDerWaalsContact C-N 3.28Å
525D89.1Confident87.6Confident93 Ų9385.7 Ų85.750%0.49741%0.405SS..  trans-106.5-31.617759.3-16.6000112.8S10 G11 R523S10-D525 CarbonylContact C-O 3.5Å; G11-D525 PolarHBondContact N-O 2.87Å; R523-D525 PolarHBondContact O-N 3.21Å
526D90Very high85.8Confident49 Ų4991.3 Ų91.326%0.26244%0.441SS..EExtended strand (participates in β ladder)trans-120.2135.7176.7-78.6-52.5000111.8R8 S10R8-D526 IonicContact CZ-OD1 2.64Å; R8-D526 IonicContact CZ-OD2 3.62Å; R8-D526 IonicContact NE-OD1 3.82Å; R8-D526 PolarHBondContact NE-OD1 2.65Å; R8-D526 IonicContact NE-OD2 2.66Å; R8-D526 VanDerWaalsContact NH2-CG 3.29Å; R8-D526 IonicContact NH2-OD1 2.7Å; R8-D526 PolarHBondContact NH2-OD1 3.29Å; R8-D526 IonicContact NH2-OD2 2.62Å; R8-D526 PolarHBondContact NH2-OD2 3.27Å; S10-D526 VanDerWaalsContact CA-OD1 3.3Å; S10-D526 WeakPolarHBondContact CA-OD1 3.3Å; S10-D526 WeakPolarHBondContact CB-OD1 3.36Å
527L89.2Confident84.1Confident43 Ų4393.6 Ų93.623%0.22546%0.457CS..EExtended strand (participates in β ladder)trans-114.1117.3167.6177.171.9000108.3R8 T9 V14 P67R8-L527 WeakPolarHBondContact CA-O 3.45Å; T9-L527 PolarHBondContact N-O 3.18Å; T9-L527 PolarHBondContact O-N 3.16Å; V14-L527 HydrophobicContact CG1-CB 3.93Å; V14-L527 HydrophobicContact CG2-CB 4.07Å; P67-L527 HydrophobicContact CG-CD1 4.02Å
528I89.6Confident82.2Confident97 Ų97102.2 Ų102.250%0.49750%0.495SS..EExtended strand (participates in β ladder)trans-112.1110.6179.6-58.2171.2000107.7R8 L530R8-I528 HydrophobicContact CB-CG1 4.46Å; R8-I528 HydrophobicContact CG-CG1 4.09Å; I528-L530 HydrophobicContact CG2-CD2 4.17Å
529K85.9Confident80Confident139 Ų139109 Ų10960%0.60453%0.531SS*.EExtended strand (participates in β ladder)trans-99.6108.4173.7-170.6173.9-177176.20108.7G6 E7G6-K529 CarbonylContact C-O 3.59Å; G6-K529 WeakPolarHBondContact CA-O 3.09Å; E7-K529 PolarHBondContact N-O 3.07Å; E7-K529 PolarHBondContact O-N 3.13Å
530L87.2Confident77.9Confident106 Ų106112 Ų11256%0.55556%0.563SS**EExtended strand (participates in β ladder)trans-73.8143.2173.3-60.2175.5000109.4L4 I528L4-L530 HydrophobicContact CB-CD2 4.44Å; L4-L530 HydrophobicContact CD2-CD2 4.02Å; I528-L530 HydrophobicContact CG2-CD2 4.17Å
531K81.6Confident75.7Confident154 Ų154115.8 Ų115.867%0.6758%0.58SS**PPolyproline II helixtrans-70.5138167.2-67.8-177.4179.5-176.30108G5 E533G5-K531 WeakPolarHBondContact O-CB 3.5Å; G5-K531 PolarHBondContact O-N 3.42Å; K531-E533 PolarHBondContact O-N 2.87Å
532E80.1Confident73.4Confident188 Ų188124.9 Ų124.988%0.87962%0.623SS**PPolyproline II helixtrans-59.7127.6171.1-67.2178.8173.100108.9K534E532-K534 PolarHBondContact O-N 3.38Å; E532-K534 VanDerWaalsContact O-N 3.16Å
533E77.4Confident71.2Confident187 Ų187130.5 Ų130.587%0.87466%0.661SS**  trans-66.9112.4167.7-73.2-176.6168.900106.9K531 Q535K531-E533 PolarHBondContact O-N 2.87Å; E533-Q535 PolarHBondContact O-N 2.88Å
534K66Low69.1Low200 Ų200126.4 Ų126.487%0.8766%0.664SS**PPolyproline II helixtrans-59.4116.2165.8-71-172.6175.9-1700106.5E532E532-K534 PolarHBondContact O-N 3.38Å; E532-K534 VanDerWaalsContact O-N 3.16Å
535Q63.3Low66.8Low171 Ų171139.2 Ų139.280%0.79971%0.712SS**PPolyproline II helixtrans-54133.3164.5-76.5179.3-16.300106.8E533 D537E533-Q535 PolarHBondContact O-N 2.88Å; Q535-D537 PolarHBondContact O-N 3.02Å
536P57.1Low65.6Low118 Ų118141.5 Ų141.577%0.76672%0.722SS**PPolyproline II helixtrans-55.3122.4173.522.5-30.2000106.9H538P536-H538 PolarHBondContact O-N 2.92Å
537D60.9Low64.4Low142 Ų142146.4 Ų146.476%0.75975%0.746SS**PPolyproline II helixtrans-50.9118.8170.3-69.6-42.6000105.8Q535 D539Q535-D537 PolarHBondContact O-N 3.02Å; D537-D539 PolarHBondContact O-N 3.49Å
538H55Low63Low191 Ų191152.1 Ų152.188%0.88478%0.775SS**  trans-65.890.5165.3-115.1-72.5000104.3P536 G540P536-H538 PolarHBondContact O-N 2.92Å; H538-G540 PolarHBondContact O-N 3.11Å
539D50Low61.4Low142 Ų142155.4 Ų155.476%0.75979%0.792SS**  trans-54.398.7160.5-79.8-30.5000104.8D537 D541D537-D539 PolarHBondContact O-N 3.49Å; D539-D541 VanDerWaalsContact C-N 3.3Å; D539-D541 PolarHBondContact O-N 2.78Å
540G50.7Low59.9Low65 Ų65156.4 Ų156.467%0.6780%0.804SS**  trans-62.6102.6169.500000105.3H538 E542H538-G540 PolarHBondContact O-N 3.11Å; G540-E542 PolarHBondContact O-N 2.96Å
541D49Very low58.1Low148 Ų148159.7 Ų159.779%0.79182%0.82SS**  trans-40115.3171.3-83.9-40000108.7D539 C543D539-D541 VanDerWaalsContact C-N 3.3Å; D539-D541 PolarHBondContact O-N 2.78Å; D541-C543 PolarHBondContact O-N 2.6Å
542E44.7Very low56.4Low195 Ų195160.1 Ų160.191%0.91183%0.831SS**  trans-54.990.7164.2-69.3-178.8148.300108.1G540 G544G540-E542 PolarHBondContact O-N 2.96Å; E542-G544 PolarHBondContact O-N 3.46Å
543C44.7Very low54.5Low126 Ų126158 Ų15885%0.85183%0.827SS**  trans-74.780.7154.7-74.90000107.2D541D541-C543 PolarHBondContact O-N 2.6Å
544G48.5Very low52.6Low58 Ų58155.6 Ų155.660%0.59882%0.823SS**  trans-72.8127.8159.100000109.9E542E542-G544 PolarHBondContact O-N 3.46Å
545Y42Very low51.4Low311 Ų311151.5 Ų151.5100%1.2282%0.819SS**  trans89.30177.1-61.7-76000118.3

Retrieved 545 of 545 residues in 202.3 ms (Link to these results)

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