A0A077ZJ89_TRITR Loading...

NIL and ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M96.8Very high97.7Very high50 Ų5035.3 Ų35.325%0.24618%0.176CC..  0-52.10176.759.473.700110.7V28 A30 D65 K160 V161 T193M1-V28 PolarHBondContact N-O 2.97Å; M1-A30 HydrophobicContact CB-CB 4.02Å; M1-A30 HydrophobicContact CE-CB 4.24Å; M1-D65 PolarHBondContact O-N 3.38Å; M1-D65 HydrophobicContact SD-CB 3.86Å; M1-K160 HydrophobicContact CE-CB 3.93Å; M1-K160 HydrophobicContact CE-CD 4.35Å; M1-K160 HydrophobicContact SD-CB 4.21Å; M1-V161 HydrophobicContact CG-CG2 3.46Å; M1-V161 VanDerWaalsContact CG-CG2 3.46Å; M1-V161 HydrophobicContact SD-CG2 3.83Å; M1-T193 HydrophobicContact CB-CG2 3.96Å; M1-T193 HydrophobicContact CG-CG2 3.86Å; M1-T193 WeakPolarHBondContact CG-OG1 3.34Å
2I97.9Very high97.4Very high1 Ų144.2 Ų44.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-112.3133.8174-50.2168.3000107.9L4 V28 V51 V161 L195I2-L4 HydrophobicContact CG2-CG 4.41Å; I2-V28 HydrophobicContact CB-CB 3.92Å; I2-V28 HydrophobicContact CB-CG2 4.15Å; I2-V28 HydrophobicContact CD1-CB 4.12Å; I2-V28 HydrophobicContact CD1-CG1 4.46Å; I2-V28 HydrophobicContact CD1-CG2 4.2Å; I2-V28 HydrophobicContact CG1-CB 4.26Å; I2-V28 PolarHBondContact N-O 3.16Å; I2-V28 PolarHBondContact O-N 3.05Å; I2-V51 HydrophobicContact CD1-CG1 4.29Å; I2-V51 HydrophobicContact CG2-CG1 3.85Å; I2-V51 HydrophobicContact CG2-CG2 4.29Å; I2-V161 HydrophobicContact CD1-CG1 3.65Å; I2-V161 HydrophobicContact CD1-CG2 4.32Å; I2-V161 HydrophobicContact CG1-CG1 4.22Å; I2-V161 HydrophobicContact CG1-CG2 4.04Å; I2-L195 HydrophobicContact CD1-CB 4.02Å; I2-L195 HydrophobicContact CD1-CD2 4.27Å
3K98.1Very high96.9Very high105 Ų10550.8 Ų50.846%0.45725%0.246SC..EExtended strand (participates in β ladder)trans-136.3112.8172-176.9-178.9-179.8-177.70109.4L26 L63K3-L26 WeakPolarHBondContact CA-O 3.43Å; K3-L63 HydrophobicContact CB-CB 4.24Å; K3-L63 PolarHBondContact N-O 2.81Å; K3-L63 PolarHBondContact O-N 3.18Å
4L98.2Very high96.6Very high2 Ų252.8 Ų52.81%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-100.7126.8169.9-59.6-175000107.8I2 I7 S25 L26 L47 V51 V62I2-L4 HydrophobicContact CG2-CG 4.41Å; L4-I7 HydrophobicContact CB-CG1 3.8Å; L4-I7 HydrophobicContact CD2-CG1 4.36Å; L4-I7 HydrophobicContact CG-CG1 4.48Å; L4-S25 CarbonylContact O-C 3.53Å; L4-S25 VanDerWaalsContact O-CA 3.29Å; L4-S25 WeakPolarHBondContact O-CA 3.45Å; L4-L26 HydrophobicContact CB-CB 4.15Å; L4-L26 HydrophobicContact CD1-CB 4.24Å; L4-L26 HydrophobicContact CD1-CD2 4.3Å; L4-L26 HydrophobicContact CG-CB 4.44Å; L4-L26 PolarHBondContact N-O 2.96Å; L4-L26 PolarHBondContact O-N 3.11Å; L4-L47 HydrophobicContact CD1-CD1 3.52Å; L4-L47 HydrophobicContact CD1-CG 4.29Å; L4-V51 HydrophobicContact CD1-CG2 3.87Å; L4-V51 HydrophobicContact CD2-CG2 4.1Å; L4-V51 HydrophobicContact CG-CG2 4.34Å; L4-V62 HydrophobicContact CD2-CB 4.17Å; L4-V62 HydrophobicContact CD2-CG1 3.79Å; L4-V62 HydrophobicContact CD2-CG2 3.93Å
5S97.8Very high96.3Very high19 Ų1959.1 Ų59.113%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-125123.6178.3-40.70000109.6I7 G60 S61S5-I7 VanDerWaalsContact C-N 3.28Å; S5-I7 PolarHBondContact O-N 3.2Å; S5-G60 CarbonylContact O-C 3.59Å; S5-G60 WeakPolarHBondContact O-CA 2.8Å; S5-S61 WeakPolarHBondContact CB-OG 3.4Å; S5-S61 PolarHBondContact N-O 3.08Å; S5-S61 PolarHBondContact O-N 2.81Å
6N97.7Very high96.1Very high87 Ų8767.5 Ų67.547%0.46535%0.353SS..EExtended strand (participates in β ladder)trans55.938.7171.8-49.1100.1000114T8 N23 V24 S25 G60N6-T8 PolarHBondContact O-N 3.02Å; N6-N23 VanDerWaalsContact CA-OD1 3.28Å; N6-N23 WeakPolarHBondContact CA-OD1 3.31Å; N6-N23 WeakPolarHBondContact CB-OD1 3.5Å; N6-N23 PolarHBondContact ND2-OD1 3.35Å; N6-V24 PolarHBondContact N-O 3.17Å; N6-S25 PolarHBondContact N-OG 3.02Å; N6-G60 VanDerWaalsContact O-CA 3.3Å; N6-G60 WeakPolarHBondContact O-CA 3.3Å
7I98.2Very high96Very high0 Ų068.8 Ų68.80%036%0.364CS..EExtended strand (participates in β ladder)trans-71.2116.2-176.9-61-60.4000110.4L4 S5 L21 N23 V24 P57 E59 S61 V62L4-I7 HydrophobicContact CB-CG1 3.8Å; L4-I7 HydrophobicContact CD2-CG1 4.36Å; L4-I7 HydrophobicContact CG-CG1 4.48Å; S5-I7 VanDerWaalsContact C-N 3.28Å; S5-I7 PolarHBondContact O-N 3.2Å; I7-L21 HydrophobicContact CG2-CD1 3.72Å; I7-N23 PolarHBondContact O-N 3.45Å; I7-V24 HydrophobicContact CB-CB 4.33Å; I7-V24 WeakPolarHBondContact CB-O 3.39Å; I7-V24 PolarHBondContact N-O 2.66Å; I7-V24 PolarHBondContact O-N 3.39Å; I7-P57 HydrophobicContact CD1-CB 4.16Å; I7-P57 HydrophobicContact CD1-CG 4.21Å; I7-P57 HydrophobicContact CG2-CB 3.95Å; I7-E59 WeakPolarHBondContact CA-O 3.43Å; I7-S61 WeakPolarHBondContact CD1-O 3.39Å; I7-V62 HydrophobicContact CD1-CG2 3.77Å
8T98.3Very high95.9Very high15 Ų1568.7 Ų68.79%0.09236%0.363CS..EExtended strand (participates in β ladder)trans-118.1135.1170.4-60.80000108.8N6 V10 L21 N23 T58 E59N6-T8 PolarHBondContact O-N 3.02Å; T8-V10 HydrophobicContact CG2-CG2 4.28Å; T8-L21 CarbonylContact C-O 3.57Å; T8-L21 WeakPolarHBondContact CA-O 3.42Å; T8-L21 WeakPolarHBondContact CG2-O 3.26Å; T8-N23 PolarHBondContact OG1-N 3.37Å; T8-N23 VanDerWaalsContact OG1-N 3.09Å; T8-T58 WeakPolarHBondContact O-CA 3.45Å; T8-T58 WeakPolarHBondContact O-CB 3.28Å; T8-T58 PolarHBondContact O-N 3.47Å; T8-E59 PolarHBondContact N-O 2.97Å; T8-E59 PolarHBondContact O-N 3.43Å; T8-E59 VanDerWaalsContact O-N 3.08Å
9K97.8Very high95.9Very high24 Ų2470.7 Ų70.710%0.10437%0.37CS..EExtended strand (participates in β ladder)trans-137.2122.3176.3178.762.3172.2-1600110.4F11 A20 L21 T46 E55 R56K9-F11 HydrophobicContact CD-CE2 4.49Å; K9-F11 HydrophobicContact CD-CZ 4.33Å; K9-F11 HydrophobicContact CG-CD2 4.32Å; K9-F11 HydrophobicContact CG-CE2 3.75Å; K9-F11 HydrophobicContact CG-CZ 3.97Å; K9-A20 PolarHBondContact O-N 3.38Å; K9-L21 HydrophobicContact CB-CB 4.1Å; K9-L21 HydrophobicContact CB-CD1 4.16Å; K9-L21 HydrophobicContact CB-CG 4.29Å; K9-L21 PolarHBondContact N-O 2.65Å; K9-L21 PolarHBondContact O-N 2.94Å; K9-T46 HydrophobicContact CB-CG2 4.06Å; K9-T46 HydrophobicContact CG-CG2 3.66Å; K9-E55 VanDerWaalsContact CE-OE2 3.26Å; K9-E55 WeakPolarHBondContact CE-OE2 3.39Å; K9-E55 IonicContact NZ-OE2 2.82Å; K9-E55 PolarHBondContact NZ-OE2 2.95Å; K9-R56 WeakPolarHBondContact CD-O 3.2Å; K9-R56 PolarHBondContact NZ-O 2.9Å
10V97.3Very high95.9Very high29 Ų2967.8 Ų67.818%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-115.1134.6178.5-175.20000109.7T8 T17 I18 Q19 T58T8-V10 HydrophobicContact CG2-CG2 4.28Å; V10-T17 HydrophobicContact CG1-CG2 3.17Å; V10-I18 WeakPolarHBondContact CA-O 3.17Å; V10-Q19 HydrophobicContact CG2-CG 4.18Å; V10-T58 PolarHBondContact N-OG1 3.35Å
11F96.1Very high96Very high56 Ų5664.5 Ų64.525%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-112140.4171.1-66.5-81.3000110.2K9 I18 A20 T46K9-F11 HydrophobicContact CD-CE2 4.49Å; K9-F11 HydrophobicContact CD-CZ 4.33Å; K9-F11 HydrophobicContact CG-CD2 4.32Å; K9-F11 HydrophobicContact CG-CE2 3.75Å; K9-F11 HydrophobicContact CG-CZ 3.97Å; F11-I18 PolarHBondContact N-O 2.88Å; F11-I18 PolarHBondContact O-N 3.08Å; F11-A20 HydrophobicContact CD2-CB 3.64Å; F11-A20 HydrophobicContact CE2-CB 3.52Å; F11-T46 HydrophobicContact CE2-CG2 3.87Å; F11-T46 HydrophobicContact CZ-CG2 4.09Å
12H94.8Very high96Very high142 Ų14264.8 Ų64.866%0.65734%0.342SS*.EExtended strand (participates in β ladder)trans-105.7112.4173.7-58.7-70.7000109.1T17H12-T17 PolarHBondContact ND1-OG1 3.48Å
13Q91.3Very high96Very high130 Ų13069.1 Ų69.161%0.60737%0.365SS*.EExtended strand (participates in β ladder)trans-111.690.4175.6-68.3-1744.300108.8T15 R16 I18Q13-T15 PolarHBondContact O-N 3.37Å; Q13-R16 PolarHBondContact N-O 2.97Å; Q13-R16 PolarHBondContact O-N 3.39Å; Q13-I18 HydrophobicContact CG-CD1 4.15Å
14G91.7Very high96Very high79 Ų7964.2 Ų64.281%0.81434%0.344SS*.THydrogen-bonded Turntrans61-118.4-171.500000110.7
15T92.5Very high96Very high147 Ų14766.4 Ų66.490%0.90236%0.36SS*.THydrogen-bonded Turntrans-87.1-9.2177.756.30000113.9Q13Q13-T15 PolarHBondContact O-N 3.37Å
16R93.2Very high96Very high194 Ų19465.7 Ų65.773%0.73236%0.355SS*.EExtended strand (participates in β ladder)trans-92.8130.2-178.9-67.1-174.4179.2-176.70.1110.6Q13Q13-R16 PolarHBondContact N-O 2.97Å; Q13-R16 PolarHBondContact O-N 3.39Å
17T93.8Very high96Very high89 Ų8966.9 Ų66.955%0.54636%0.357SS..EExtended strand (participates in β ladder)trans-101118.8171.7-62.70000108.4V10 H12V10-T17 HydrophobicContact CG1-CG2 3.17Å; H12-T17 PolarHBondContact ND1-OG1 3.48Å
18I94.3Very high96Very high68 Ų6866.9 Ų66.935%0.34936%0.357SS..EExtended strand (participates in β ladder)trans-107.9115.6179.9-58.6174.2000107.8V10 F11 Q13 A20V10-I18 WeakPolarHBondContact CA-O 3.17Å; F11-I18 PolarHBondContact N-O 2.88Å; F11-I18 PolarHBondContact O-N 3.08Å; Q13-I18 HydrophobicContact CG-CD1 4.15Å; I18-A20 PolarHBondContact O-N 3.37Å
19Q95.5Very high95.9Very high106 Ų10668.3 Ų68.350%0.49537%0.367SS..EExtended strand (participates in β ladder)trans-78.7106.7166.9-68.1-150.33.200108.9V10V10-Q19 HydrophobicContact CG2-CG 4.18Å
20A96.4Very high95.9Very high12 Ų1270.4 Ų70.410%0.09939%0.388CS..EExtended strand (participates in β ladder)trans-84.9-30.6177.800000112.3K9 F11 I18 G43 T46 G217K9-A20 PolarHBondContact O-N 3.38Å; F11-A20 HydrophobicContact CD2-CB 3.64Å; F11-A20 HydrophobicContact CE2-CB 3.52Å; I18-A20 PolarHBondContact O-N 3.37Å; A20-G43 WeakPolarHBondContact O-CA 3.25Å; A20-T46 HydrophobicContact CB-CG2 4.08Å; A20-G217 WeakPolarHBondContact O-CA 3.32Å
21L97.9Very high95.9Very high0 Ų070.2 Ų70.20%039%0.392CS..EExtended strand (participates in β ladder)trans-139.1136.7174.1-59.4172.5000108.3I7 T8 K9 V24 T46 L47 I214 G217I7-L21 HydrophobicContact CG2-CD1 3.72Å; T8-L21 CarbonylContact C-O 3.57Å; T8-L21 WeakPolarHBondContact CA-O 3.42Å; T8-L21 WeakPolarHBondContact CG2-O 3.26Å; K9-L21 HydrophobicContact CB-CB 4.1Å; K9-L21 HydrophobicContact CB-CD1 4.16Å; K9-L21 HydrophobicContact CB-CG 4.29Å; K9-L21 PolarHBondContact N-O 2.65Å; K9-L21 PolarHBondContact O-N 2.94Å; L21-V24 HydrophobicContact CB-CG2 4.28Å; L21-V24 HydrophobicContact CD2-CG2 4.19Å; L21-T46 HydrophobicContact CD1-CG2 3.82Å; L21-T46 HydrophobicContact CG-CG2 4.07Å; L21-L47 HydrophobicContact CD1-CB 4.25Å; L21-L47 HydrophobicContact CD1-CD1 4.19Å; L21-L47 HydrophobicContact CD2-CB 3.97Å; L21-L47 HydrophobicContact CD2-CD1 4.4Å; L21-I214 HydrophobicContact CD2-CD1 3.94Å; L21-G217 WeakPolarHBondContact CA-O 3.34Å
22N97.7Very high95.9Very high56 Ų5670.5 Ų70.530%0.29940%0.395SS..EExtended strand (participates in β ladder)trans-127.2104.6-179.9-177.424.4000109.4V24 G217 E218N22-V24 VanDerWaalsContact C-N 3.3Å; N22-V24 PolarHBondContact O-N 2.86Å; N22-G217 PolarHBondContact N-O 3.34Å; N22-E218 HydrophobicContact CB-CG 3.93Å; N22-E218 PolarHBondContact ND2-OE1 2.96Å
23N97.3Very high96Very high91 Ų9163.8 Ų63.849%0.48736%0.364SS..EExtended strand (participates in β ladder)trans50.241.4175.8-167.630.2000115.2N6 I7 T8 S25N6-N23 VanDerWaalsContact CA-OD1 3.28Å; N6-N23 WeakPolarHBondContact CA-OD1 3.31Å; N6-N23 WeakPolarHBondContact CB-OD1 3.5Å; N6-N23 PolarHBondContact ND2-OD1 3.35Å; I7-N23 PolarHBondContact O-N 3.45Å; T8-N23 PolarHBondContact OG1-N 3.37Å; T8-N23 VanDerWaalsContact OG1-N 3.09Å; N23-S25 PolarHBondContact O-N 3.25Å
24V97.8Very high96.4Very high2 Ų258.1 Ų58.11%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-75124.9-177.1171.50000111.2N6 I7 L21 N22 L47 G217 L219N6-V24 PolarHBondContact N-O 3.17Å; I7-V24 HydrophobicContact CB-CB 4.33Å; I7-V24 WeakPolarHBondContact CB-O 3.39Å; I7-V24 PolarHBondContact N-O 2.66Å; I7-V24 PolarHBondContact O-N 3.39Å; L21-V24 HydrophobicContact CB-CG2 4.28Å; L21-V24 HydrophobicContact CD2-CG2 4.19Å; N22-V24 VanDerWaalsContact C-N 3.3Å; N22-V24 PolarHBondContact O-N 2.86Å; V24-L47 HydrophobicContact CB-CD1 4.42Å; V24-L47 HydrophobicContact CG1-CD1 3.61Å; V24-L47 HydrophobicContact CG1-CD2 4.4Å; V24-G217 WeakPolarHBondContact CG2-O 3.24Å; V24-L219 HydrophobicContact CG1-CD1 3.56Å; V24-L219 HydrophobicContact CG1-CG 3.71Å; V24-L219 HydrophobicContact CG2-CG 4.44Å
25S98Very high96.6Very high49 Ų4954.3 Ų54.334%0.34330%0.298SS..EExtended strand (participates in β ladder)trans-121.5124.7172.9-59.30000110.6L4 N6 N23 L219 Q222L4-S25 CarbonylContact O-C 3.53Å; L4-S25 VanDerWaalsContact O-CA 3.29Å; L4-S25 WeakPolarHBondContact O-CA 3.45Å; N6-S25 PolarHBondContact N-OG 3.02Å; N23-S25 PolarHBondContact O-N 3.25Å; S25-L219 WeakPolarHBondContact O-CD1 3.23Å; S25-Q222 PolarHBondContact O-NE2 2.97Å
26L97.9Very high96.9Very high4 Ų447.3 Ų47.32%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-137.7131-174.5-179.169.6000110.1K3 L4 V28 Y34 V36 L195 A212 L219K3-L26 WeakPolarHBondContact CA-O 3.43Å; L4-L26 HydrophobicContact CB-CB 4.15Å; L4-L26 HydrophobicContact CD1-CB 4.24Å; L4-L26 HydrophobicContact CD1-CD2 4.3Å; L4-L26 HydrophobicContact CG-CB 4.44Å; L4-L26 PolarHBondContact N-O 2.96Å; L4-L26 PolarHBondContact O-N 3.11Å; L26-V28 HydrophobicContact CD2-CG2 4.16Å; L26-V28 HydrophobicContact CG-CG2 4.19Å; L26-Y34 HydrophobicContact CD1-CD1 4.26Å; L26-Y34 HydrophobicContact CD1-CE1 3.55Å; L26-Y34 HydrophobicContact CD1-CE2 4.37Å; L26-V36 HydrophobicContact CD2-CG2 4.39Å; L26-L195 HydrophobicContact CD2-CD1 4.13Å; L26-L195 HydrophobicContact CD2-CD2 4.33Å; L26-A212 HydrophobicContact CD1-CB 4.25Å; L26-L219 HydrophobicContact CB-CD1 4.19Å; L26-L219 HydrophobicContact CD1-CD1 4.21Å
27H97.6Very high96.9Very high112 Ų11238.1 Ų38.152%0.51922%0.22SC..EExtended strand (participates in β ladder)trans-117.1120.7173.1-171.8142.2000109.4
28V98Very high96.9Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-109.6112.8171.5-171.50000110.4M1 I2 L26 Y34 T193 L195M1-V28 PolarHBondContact N-O 2.97Å; I2-V28 HydrophobicContact CB-CB 3.92Å; I2-V28 HydrophobicContact CB-CG2 4.15Å; I2-V28 HydrophobicContact CD1-CB 4.12Å; I2-V28 HydrophobicContact CD1-CG1 4.46Å; I2-V28 HydrophobicContact CD1-CG2 4.2Å; I2-V28 HydrophobicContact CG1-CB 4.26Å; I2-V28 PolarHBondContact N-O 3.16Å; I2-V28 PolarHBondContact O-N 3.05Å; L26-V28 HydrophobicContact CD2-CG2 4.16Å; L26-V28 HydrophobicContact CG-CG2 4.19Å; V28-Y34 HydrophobicContact CB-CD2 4.34Å; V28-Y34 HydrophobicContact CG1-CD2 4.11Å; V28-Y34 HydrophobicContact CG1-CG 4.19Å; V28-Y34 HydrophobicContact CG2-CD1 4.48Å; V28-Y34 HydrophobicContact CG2-CD2 3.98Å; V28-Y34 HydrophobicContact CG2-CG 3.89Å; V28-T193 HydrophobicContact CG1-CG2 3.63Å; V28-L195 HydrophobicContact CG2-CD1 4.26Å
29P97Very high96.7Very high45 Ų4533.2 Ų33.229%0.29220%0.199SC..  trans-60.7159.4174.6-25.537.3000112.5Q32 T193P29-Q32 HydrophobicContact CB-CG 4.18Å; P29-Q32 VanDerWaalsContact CG-OE1 3.26Å; P29-T193 WeakPolarHBondContact O-CG2 3.4Å
30A97.6Very high96.3Very high67 Ų6734 Ų3455%0.55422%0.216SC*.THydrogen-bonded Turntrans-70.8140.4177.700000111.2M1 Q32 T193M1-A30 HydrophobicContact CB-CB 4.02Å; M1-A30 HydrophobicContact CE-CB 4.24Å; A30-Q32 PolarHBondContact O-N 3.38Å; A30-T193 WeakPolarHBondContact CA-OG1 3.32Å
31G96.8Very high96Very high26 Ų2637.2 Ų37.227%0.26825%0.25SS..THydrogen-bonded Turntrans735.717600000115.1N187 G191 T193G31-N187 PolarHBondContact O-ND2 3.14Å; G31-G191 WeakPolarHBondContact CA-O 3.46Å; G31-T193 PolarHBondContact N-OG1 3.43Å
32Q97.2Very high95.9Very high62 Ų6237.6 Ų37.629%0.2925%0.253SS..  trans-96.6155.8176-71.9-170.3-10.100112.3P29 A30 I194 D209P29-Q32 HydrophobicContact CB-CG 4.18Å; P29-Q32 VanDerWaalsContact CG-OE1 3.26Å; A30-Q32 PolarHBondContact O-N 3.38Å; Q32-I194 PolarHBondContact O-N 3.42Å; Q32-D209 WeakPolarHBondContact CA-OD2 3.4Å; Q32-D209 HydrophobicContact CB-CB 4.49Å
33I97.8Very high95.7Very high1 Ų135.3 Ų35.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-99.5116.5168.8-54.4-177.3000108.3N187 I194 L196 I207 D209 C210I33-N187 HydrophobicContact CD1-CB 3.78Å; I33-N187 HydrophobicContact CG1-CB 4Å; I33-I194 CarbonylContact C-O 3.57Å; I33-I194 WeakPolarHBondContact CA-O 3.4Å; I33-I194 HydrophobicContact CB-CB 4.43Å; I33-I194 HydrophobicContact CD1-CD1 4.26Å; I33-I194 HydrophobicContact CG1-CB 4.16Å; I33-I194 HydrophobicContact CG1-CD1 4.22Å; I33-I194 HydrophobicContact CG1-CG1 4.35Å; I33-I194 HydrophobicContact CG2-CB 4.2Å; I33-I194 HydrophobicContact CG2-CG2 4.32Å; I33-L196 HydrophobicContact CG2-CD2 3.84Å; I33-I207 VanDerWaalsContact CB-O 3.31Å; I33-I207 WeakPolarHBondContact CB-O 3.49Å; I33-I207 HydrophobicContact CD1-CB 4.26Å; I33-I207 VanDerWaalsContact CD1-O 3.3Å; I33-I207 WeakPolarHBondContact CD1-O 3.46Å; I33-I207 HydrophobicContact CG2-CD1 4.22Å; I33-I207 HydrophobicContact CG2-CG1 4.21Å; I33-I207 WeakPolarHBondContact CG2-O 3.44Å; I33-D209 PolarHBondContact N-OD2 2.96Å; I33-D209 PolarHBondContact O-N 2.65Å; I33-C210 PolarHBondContact O-N 3.49Å
34Y98.2Very high95.6Very high10 Ų1031.5 Ų31.54%0.03922%0.222CC..EExtended strand (participates in β ladder)trans-114.6124.3-176.7-155.8-66.6000110.2L26 V28 I194 L195 L196 C210 A212L26-Y34 HydrophobicContact CD1-CD1 4.26Å; L26-Y34 HydrophobicContact CD1-CE1 3.55Å; L26-Y34 HydrophobicContact CD1-CE2 4.37Å; V28-Y34 HydrophobicContact CB-CD2 4.34Å; V28-Y34 HydrophobicContact CG1-CD2 4.11Å; V28-Y34 HydrophobicContact CG1-CG 4.19Å; V28-Y34 HydrophobicContact CG2-CD1 4.48Å; V28-Y34 HydrophobicContact CG2-CD2 3.98Å; V28-Y34 HydrophobicContact CG2-CG 3.89Å; Y34-I194 PolarHBondContact N-O 3.37Å; Y34-L195 HydrophobicContact CD1-CD1 4.14Å; Y34-L195 HydrophobicContact CG-CD1 4.49Å; Y34-L195 WeakPolarHBondContact O-CA 3.38Å; Y34-L196 PolarHBondContact O-N 3.19Å; Y34-C210 HydrophobicContact CD2-CB 3.47Å; Y34-C210 VanDerWaalsContact CD2-CB 3.47Å; Y34-C210 HydrophobicContact CE2-CB 3.37Å; Y34-C210 HydrophobicContact CG-CB 4.15Å; Y34-A212 HydrophobicContact CE1-CB 3.71Å
35G97.4Very high95.5Very high0 Ų033 Ų330%023%0.233CC..EExtended strand (participates in β ladder)trans-98.3139.3177.200000112.5L196 C208 C210 V211 A212G35-L196 CarbonylContact C-O 3.56Å; G35-L196 WeakPolarHBondContact CA-O 3.35Å; G35-C208 VanDerWaalsContact CA-SG 3.57Å; G35-C210 PolarHBondContact N-O 2.76Å; G35-V211 CarbonylContact O-C 3.52Å; G35-V211 VanDerWaalsContact O-CA 3.27Å; G35-V211 WeakPolarHBondContact O-CA 3.3Å; G35-A212 PolarHBondContact O-N 2.8Å
36V97.1Very high95.4Very high0 Ų031.7 Ų31.70%022%0.223CC..EExtended strand (participates in β ladder)trans-117.4117.7166.11790000108.3L26 K44 L47 L195 L196 I197 T198 A212 I214L26-V36 HydrophobicContact CD2-CG2 4.39Å; V36-K44 HydrophobicContact CG1-CG 4.41Å; V36-L47 HydrophobicContact CG1-CD2 4.07Å; V36-L47 HydrophobicContact CG2-CD2 4.22Å; V36-L195 HydrophobicContact CG2-CD1 3.85Å; V36-L196 PolarHBondContact N-O 3.42Å; V36-I197 HydrophobicContact CB-CG2 3.8Å; V36-I197 HydrophobicContact CG1-CG2 4.3Å; V36-I197 HydrophobicContact CG2-CG2 4.48Å; V36-I197 WeakPolarHBondContact O-CA 3.43Å; V36-T198 PolarHBondContact O-N 2.81Å; V36-A212 CarbonylContact C-O 3.5Å; V36-A212 WeakPolarHBondContact CA-O 3.29Å; V36-A212 HydrophobicContact CG2-CB 4.36Å; V36-I214 HydrophobicContact CG1-CB 4.29Å; V36-I214 HydrophobicContact CG1-CG2 3.98Å
37I94.5Very high95.4Very high0 Ų031.6 Ų31.60%022%0.222CC..EExtended strand (participates in β ladder)trans-115.6147.2-178.6-168173.7000111.2T198 M201 V211 A212 V213 I214 F240I37-T198 WeakPolarHBondContact CA-O 3.46Å; I37-M201 HydrophobicContact CD1-CB 3.77Å; I37-M201 HydrophobicContact CD1-CE 3.64Å; I37-M201 HydrophobicContact CD1-CG 4.45Å; I37-M201 HydrophobicContact CD1-SD 3.96Å; I37-M201 HydrophobicContact CG2-CE 4.28Å; I37-V211 HydrophobicContact CG2-CG2 3.82Å; I37-A212 PolarHBondContact N-O 3.17Å; I37-V213 HydrophobicContact CG2-CB 4.41Å; I37-V213 HydrophobicContact CG2-CG2 3.89Å; I37-V213 CarbonylContact O-C 3.53Å; I37-V213 WeakPolarHBondContact O-CA 3.31Å; I37-I214 WeakPolarHBondContact O-CG2 3.37Å; I37-I214 PolarHBondContact O-N 3.34Å; I37-F240 HydrophobicContact CD1-CD1 3.79Å; I37-F240 HydrophobicContact CD1-CE1 4.19Å; I37-F240 HydrophobicContact CD1-CG 4.19Å; I37-F240 HydrophobicContact CG1-CD1 4.26Å; I37-F240 HydrophobicContact CG1-CE1 4.19Å
38G92.7Very high95.3Very high0 Ų026.2 Ų26.20%020%0.197CC..EExtended strand (participates in β ladder)trans176.3170.2177.700000111.6K44 I214G38-K44 PolarHBondContact O-NZ 3.09Å; G38-I214 WeakPolarHBondContact CA-O 3.5Å
39A89.9Confident95.3Very high54 Ų5430 Ų3045%0.44621%0.211SC..  trans-62163.5178.900000111.9G41 A42 K44A39-G41 PolarHBondContact O-N 2.81Å; A39-A42 VanDerWaalsContact O-CB 3.24Å; A39-A42 WeakPolarHBondContact O-CB 3.27Å; A39-A42 PolarHBondContact O-N 2.92Å; A39-K44 PolarHBondContact O-NZ 3.44Å
40S88.4Confident95.3Very high124 Ų12427.8 Ų27.887%0.86720%0.197SC*.THydrogen-bonded Turntrans-58.6135.8169-170.60000109.7A42S40-A42 VanDerWaalsContact C-N 3.29Å; S40-A42 PolarHBondContact O-N 2.7Å
41G90.5Very high95.3Very high79 Ų7924.6 Ų24.681%0.81417%0.171SC*.THydrogen-bonded Turntrans77.80.3-176.900000116.1A39 G43A39-G41 PolarHBondContact O-N 2.81Å; G41-G43 PolarHBondContact O-N 2.69Å; G41-G43 VanDerWaalsContact O-N 3.12Å
42A93.8Very high95.2Very high7 Ų723.9 Ų23.96%0.05816%0.161CC..SBendtrans-70.8-4.3-177.900000115.7A39 S40 I214 G217A39-A42 VanDerWaalsContact O-CB 3.24Å; A39-A42 WeakPolarHBondContact O-CB 3.27Å; A39-A42 PolarHBondContact O-N 2.92Å; S40-A42 VanDerWaalsContact C-N 3.29Å; S40-A42 PolarHBondContact O-N 2.7Å; A42-I214 HydrophobicContact CB-CG2 4.08Å; A42-I214 WeakPolarHBondContact O-CD1 3.48Å; A42-G217 WeakPolarHBondContact O-CA 3.43Å; A42-G217 PolarHBondContact O-N 2.79Å
43G94.5Very high95.1Very high8 Ų821.3 Ų21.38%0.08215%0.149CC..SBendtrans107.8-3.4-179.900000115.8A20 G41 S45 T46 L47A20-G43 WeakPolarHBondContact O-CA 3.25Å; G41-G43 PolarHBondContact O-N 2.69Å; G41-G43 VanDerWaalsContact O-N 3.12Å; G43-S45 PolarHBondContact O-N 3.49Å; G43-T46 WeakPolarHBondContact O-CB 3.44Å; G43-T46 PolarHBondContact O-N 3.16Å; G43-T46 VanDerWaalsContact O-N 3.1Å; G43-L47 PolarHBondContact O-N 2.85Å
44K95.5Very high95Very high11 Ų1125.3 Ų25.35%0.04817%0.17CC..Hα-helixtrans-48.2-56.1-178.2-64.2-168.9-55.5-78.30114.2V36 G38 A39 T46 L47 I48 E166 I197 T198 I214V36-K44 HydrophobicContact CG1-CG 4.41Å; G38-K44 PolarHBondContact O-NZ 3.09Å; A39-K44 PolarHBondContact O-NZ 3.44Å; K44-T46 VanDerWaalsContact C-N 3.26Å; K44-T46 PolarHBondContact O-N 3.21Å; K44-L47 WeakPolarHBondContact O-CB 3.26Å; K44-L47 PolarHBondContact O-N 2.93Å; K44-L47 VanDerWaalsContact O-N 3.14Å; K44-I48 PolarHBondContact O-N 3.01Å; K44-I48 VanDerWaalsContact O-N 3.07Å; K44-E166 WeakPolarHBondContact CE-OE1 3.38Å; K44-E166 IonicContact NZ-OE1 2.78Å; K44-I197 HydrophobicContact CB-CB 4.04Å; K44-I197 HydrophobicContact CB-CD1 3.9Å; K44-I197 HydrophobicContact CB-CG2 4.04Å; K44-I197 HydrophobicContact CD-CB 4.4Å; K44-T198 WeakPolarHBondContact CD-O 3.46Å; K44-T198 WeakPolarHBondContact CE-O 3.17Å; K44-I214 HydrophobicContact CD-CG2 4.36Å; K44-I214 HydrophobicContact CG-CG2 3.51Å
45S94.7Very high94.9Very high35 Ų3527.4 Ų27.425%0.24518%0.18CC..Hα-helixtrans-66.9-29-176.8-54.10000112.4G43 I48 R49 D165G43-S45 PolarHBondContact O-N 3.49Å; S45-I48 WeakPolarHBondContact O-CG2 3.45Å; S45-R49 WeakPolarHBondContact O-CB 3.4Å; S45-R49 WeakPolarHBondContact O-CD 3.25Å; S45-R49 WeakPolarHBondContact O-CG 3.47Å; S45-R49 PolarHBondContact O-N 3.28Å; S45-D165 PolarHBondContact OG-OD1 2.88Å
46T96.3Very high94.8Very high21 Ų2132.4 Ų32.413%0.12920%0.199CC..Hα-helixtrans-68.3-46.4171.7-520000110.3K9 F11 A20 L21 G43 K44 I48 R49 C50K9-T46 HydrophobicContact CB-CG2 4.06Å; K9-T46 HydrophobicContact CG-CG2 3.66Å; F11-T46 HydrophobicContact CE2-CG2 3.87Å; F11-T46 HydrophobicContact CZ-CG2 4.09Å; A20-T46 HydrophobicContact CB-CG2 4.08Å; L21-T46 HydrophobicContact CD1-CG2 3.82Å; L21-T46 HydrophobicContact CG-CG2 4.07Å; G43-T46 WeakPolarHBondContact O-CB 3.44Å; G43-T46 PolarHBondContact O-N 3.16Å; G43-T46 VanDerWaalsContact O-N 3.1Å; K44-T46 VanDerWaalsContact C-N 3.26Å; K44-T46 PolarHBondContact O-N 3.21Å; T46-I48 PolarHBondContact O-N 3.26Å; T46-R49 PolarHBondContact O-N 3.03Å; T46-C50 PolarHBondContact O-N 3.13Å; T46-C50 PolarHBondContact O-SG 3.03Å
47L97.4Very high94.8Very high1 Ų133 Ų331%0.00520%0.203CC..Hα-helixtrans-57.5-49.4-179.7-177.263.9000112L4 L21 V24 V36 G43 K44 R49 C50 V51L4-L47 HydrophobicContact CD1-CD1 3.52Å; L4-L47 HydrophobicContact CD1-CG 4.29Å; L21-L47 HydrophobicContact CD1-CB 4.25Å; L21-L47 HydrophobicContact CD1-CD1 4.19Å; L21-L47 HydrophobicContact CD2-CB 3.97Å; L21-L47 HydrophobicContact CD2-CD1 4.4Å; V24-L47 HydrophobicContact CB-CD1 4.42Å; V24-L47 HydrophobicContact CG1-CD1 3.61Å; V24-L47 HydrophobicContact CG1-CD2 4.4Å; V36-L47 HydrophobicContact CG1-CD2 4.07Å; V36-L47 HydrophobicContact CG2-CD2 4.22Å; G43-L47 PolarHBondContact O-N 2.85Å; K44-L47 WeakPolarHBondContact O-CB 3.26Å; K44-L47 PolarHBondContact O-N 2.93Å; K44-L47 VanDerWaalsContact O-N 3.14Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.23Å; L47-C50 WeakPolarHBondContact O-CB 3.41Å; L47-C50 PolarHBondContact O-N 2.89Å; L47-C50 VanDerWaalsContact O-N 3.16Å; L47-V51 PolarHBondContact O-N 2.97Å
48I97Very high95Very high0 Ų036.8 Ų36.80%023%0.226CC..Hα-helixtrans-65.8-34.5-179.3-162.5166.4000112.2K44 S45 T46 C50 V51 M86 L163 C164 D165 I197K44-I48 PolarHBondContact O-N 3.01Å; K44-I48 VanDerWaalsContact O-N 3.07Å; S45-I48 WeakPolarHBondContact O-CG2 3.45Å; T46-I48 PolarHBondContact O-N 3.26Å; I48-C50 VanDerWaalsContact C-N 3.31Å; I48-V51 WeakPolarHBondContact O-CB 3.42Å; I48-V51 PolarHBondContact O-N 2.97Å; I48-M86 HydrophobicContact CG2-CE 4.35Å; I48-L163 HydrophobicContact CD1-CB 3.88Å; I48-L163 HydrophobicContact CG1-CB 3.88Å; I48-L163 HydrophobicContact CG1-CD1 4.29Å; I48-L163 HydrophobicContact CG1-CD2 4.27Å; I48-L163 HydrophobicContact CG1-CG 4.37Å; I48-C164 VanDerWaalsContact CD1-C 3.47Å; I48-C164 VanDerWaalsContact CD1-O 3.31Å; I48-C164 WeakPolarHBondContact CD1-O 3.09Å; I48-D165 HydrophobicContact CG2-CB 4.38Å; I48-I197 HydrophobicContact CB-CD1 4.39Å; I48-I197 HydrophobicContact CB-CG1 4.49Å; I48-I197 HydrophobicContact CB-CG2 4.16Å; I48-I197 HydrophobicContact CD1-CG1 3.99Å; I48-I197 HydrophobicContact CD1-CG2 4.33Å; I48-I197 HydrophobicContact CG2-CD1 3.74Å; I48-I197 HydrophobicContact CG2-CG1 4.24Å
49R96.8Very high95.2Very high78 Ų7842.8 Ų42.829%0.29425%0.254SS..Hα-helixtrans-73.4-21.6175.8-72173.9-170.1153.311.3113.1S45 T46 L47 V51 N52 L53 L54 E55 M86 D165S45-R49 WeakPolarHBondContact O-CB 3.4Å; S45-R49 WeakPolarHBondContact O-CD 3.25Å; S45-R49 WeakPolarHBondContact O-CG 3.47Å; S45-R49 PolarHBondContact O-N 3.28Å; T46-R49 PolarHBondContact O-N 3.03Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.23Å; R49-V51 VanDerWaalsContact C-N 3.33Å; R49-N52 PolarHBondContact O-OD1 2.8Å; R49-L53 CarbonylContact O-C 3.55Å; R49-L53 PolarHBondContact O-N 3.01Å; R49-L54 HydrophobicContact CB-CB 4.08Å; R49-L54 HydrophobicContact CG-CB 4.29Å; R49-L54 HydrophobicContact CG-CD1 4.45Å; R49-L54 PolarHBondContact O-N 3.23Å; R49-E55 HydrophobicContact CB-CB 3.88Å; R49-E55 HydrophobicContact CB-CG 3.8Å; R49-E55 PolarHBondContact O-N 2.99Å; R49-M86 HydrophobicContact CG-CE 4.21Å; R49-D165 IonicContact CZ-OD2 3.71Å; R49-D165 IonicContact NE-OD2 3.86Å; R49-D165 IonicContact NH2-OD2 3.79Å; R49-D165 PolarHBondContact NH2-OD2 2.96Å
50C97.5Very high95.6Very high0 Ų042 Ų420%025%0.251CS..Hα-helixtrans-68.6-33.4169.9-70.80000111.8T46 L47 I48 N52 L53 E55T46-C50 PolarHBondContact O-N 3.13Å; T46-C50 PolarHBondContact O-SG 3.03Å; L47-C50 WeakPolarHBondContact O-CB 3.41Å; L47-C50 PolarHBondContact O-N 2.89Å; L47-C50 VanDerWaalsContact O-N 3.16Å; I48-C50 VanDerWaalsContact C-N 3.31Å; C50-N52 PolarHBondContact O-N 3.2Å; C50-L53 PolarHBondContact O-N 2.82Å; C50-L53 VanDerWaalsContact O-N 3.11Å; C50-E55 WeakPolarHBondContact CA-O 3.19Å; C50-E55 PolarHBondContact SG-O 3.34Å; C50-E55 VanDerWaalsContact SG-O 3.37Å
51V97.2Very high96Very high0 Ų037.6 Ų37.60%022%0.22CC..Hα-helixtrans-62.7-40-178.9-179.50000112.6I2 L4 L47 I48 R49 V64 L69 L163 L195I2-V51 HydrophobicContact CD1-CG1 4.29Å; I2-V51 HydrophobicContact CG2-CG1 3.85Å; I2-V51 HydrophobicContact CG2-CG2 4.29Å; L4-V51 HydrophobicContact CD1-CG2 3.87Å; L4-V51 HydrophobicContact CD2-CG2 4.1Å; L4-V51 HydrophobicContact CG-CG2 4.34Å; L47-V51 PolarHBondContact O-N 2.97Å; I48-V51 WeakPolarHBondContact O-CB 3.42Å; I48-V51 PolarHBondContact O-N 2.97Å; R49-V51 VanDerWaalsContact C-N 3.33Å; V51-V64 HydrophobicContact CG1-CG2 4.01Å; V51-L69 VanDerWaalsContact O-CD1 3.3Å; V51-L69 WeakPolarHBondContact O-CD1 3.44Å; V51-L163 HydrophobicContact CB-CD1 4.02Å; V51-L163 HydrophobicContact CB-CD2 4.24Å; V51-L163 HydrophobicContact CG1-CD1 4.1Å; V51-L163 HydrophobicContact CG1-CD2 3.87Å; V51-L195 HydrophobicContact CG2-CD2 3.81Å
52N94.1Very high96.4Very high11 Ų1133.9 Ų33.96%0.05918%0.182CC..THydrogen-bonded Turntrans-98.110.3175.369.6-3.9000113.7R49 C50 L54 R81 I84 M86 L163R49-N52 PolarHBondContact O-OD1 2.8Å; C50-N52 PolarHBondContact O-N 3.2Å; N52-L54 VanDerWaalsContact ND2-CD1 3.27Å; N52-L54 WeakPolarHBondContact ND2-CD1 3.49Å; N52-L54 WeakPolarHBondContact ND2-CG 3.48Å; N52-L54 PolarHBondContact O-N 3.39Å; N52-L54 VanDerWaalsContact O-N 3.15Å; N52-L54 WeakPolarHBondContact OD1-CB 3.37Å; N52-L54 VanDerWaalsContact OD1-CG 3.26Å; N52-L54 WeakPolarHBondContact OD1-CG 3.43Å; N52-L54 PolarHBondContact OD1-N 3.1Å; N52-L54 VanDerWaalsContact OD1-N 3.16Å; N52-R81 PolarHBondContact O-NE 3.32Å; N52-R81 PolarHBondContact O-NH2 3.4Å; N52-I84 HydrophobicContact CB-CG2 4.09Å; N52-M86 PolarHBondContact ND2-SD 2.6Å; N52-L163 HydrophobicContact CB-CD1 3.81Å
53L96.2Very high96.6Very high8 Ų835.7 Ų35.74%0.04219%0.19CC..THydrogen-bonded Turntrans56.325-179.7-13876.1000114.1R49 C50 V62 L69 T70 L77 R81R49-L53 CarbonylContact O-C 3.55Å; R49-L53 PolarHBondContact O-N 3.01Å; C50-L53 PolarHBondContact O-N 2.82Å; C50-L53 VanDerWaalsContact O-N 3.11Å; L53-V62 HydrophobicContact CD1-CG2 4.35Å; L53-L69 WeakPolarHBondContact CD2-O 3.33Å; L53-T70 HydrophobicContact CD1-CG2 4.18Å; L53-L77 HydrophobicContact CB-CD1 4.01Å; L53-L77 HydrophobicContact CB-CD2 4.36Å; L53-L77 HydrophobicContact CD2-CD1 3.95Å; L53-L77 HydrophobicContact CD2-CD2 3.79Å; L53-R81 PolarHBondContact O-NH2 3.06Å
54L95.6Very high96.7Very high84 Ų8435.7 Ų35.744%0.4419%0.189SC..SBendtrans-64.2-34.2165.8-75.8177.7000110.4R49 N52 M86 F88R49-L54 HydrophobicContact CB-CB 4.08Å; R49-L54 HydrophobicContact CG-CB 4.29Å; R49-L54 HydrophobicContact CG-CD1 4.45Å; R49-L54 PolarHBondContact O-N 3.23Å; N52-L54 VanDerWaalsContact ND2-CD1 3.27Å; N52-L54 WeakPolarHBondContact ND2-CD1 3.49Å; N52-L54 WeakPolarHBondContact ND2-CG 3.48Å; N52-L54 PolarHBondContact O-N 3.39Å; N52-L54 VanDerWaalsContact O-N 3.15Å; N52-L54 WeakPolarHBondContact OD1-CB 3.37Å; N52-L54 VanDerWaalsContact OD1-CG 3.26Å; N52-L54 WeakPolarHBondContact OD1-CG 3.43Å; N52-L54 PolarHBondContact OD1-N 3.1Å; N52-L54 VanDerWaalsContact OD1-N 3.16Å; L54-M86 HydrophobicContact CD1-SD 3.71Å; L54-F88 HydrophobicContact CD1-CE1 4.22Å
55E96.1Very high96.7Very high54 Ų5438.8 Ų38.825%0.25221%0.206SC..SBendtrans-110.7112165.4-77.5-64.5164.200109.1K9 R49 C50 P57K9-E55 VanDerWaalsContact CE-OE2 3.26Å; K9-E55 WeakPolarHBondContact CE-OE2 3.39Å; K9-E55 IonicContact NZ-OE2 2.82Å; K9-E55 PolarHBondContact NZ-OE2 2.95Å; R49-E55 HydrophobicContact CB-CB 3.88Å; R49-E55 HydrophobicContact CB-CG 3.8Å; R49-E55 PolarHBondContact O-N 2.99Å; C50-E55 WeakPolarHBondContact CA-O 3.19Å; C50-E55 PolarHBondContact SG-O 3.34Å; C50-E55 VanDerWaalsContact SG-O 3.37Å; E55-P57 WeakPolarHBondContact O-CD 3.36Å
56R95.8Very high96.7Very high106 Ų10640.4 Ų40.440%0.423%0.227SC..  trans-69.7122173.8-169.3172.2-71.5-88.12.6108.6K9 T70 E74K9-R56 WeakPolarHBondContact CD-O 3.2Å; K9-R56 PolarHBondContact NZ-O 2.9Å; R56-T70 PolarHBondContact NH1-O 3.21Å; R56-E74 IonicContact NH2-OE1 2.95Å
57P97.5Very high96.7Very high13 Ų1343.4 Ų43.48%0.08424%0.24CC..  trans-62.7149175.929.7-36000109.8I7 E55 V62 T70I7-P57 HydrophobicContact CD1-CB 4.16Å; I7-P57 HydrophobicContact CD1-CG 4.21Å; I7-P57 HydrophobicContact CG2-CB 3.95Å; E55-P57 WeakPolarHBondContact O-CD 3.36Å; P57-V62 HydrophobicContact CG-CG2 4.15Å; P57-T70 HydrophobicContact CG-CG2 4.15Å
58T97.2Very high96.7Very high78 Ų7845.4 Ų45.448%0.47925%0.249SC..SBendtrans-69.3-41.4174.6-550000109.9T8 V10T8-T58 WeakPolarHBondContact O-CA 3.45Å; T8-T58 WeakPolarHBondContact O-CB 3.28Å; T8-T58 PolarHBondContact O-N 3.47Å; V10-T58 PolarHBondContact N-OG1 3.35Å
59E97.6Very high96.7Very high127 Ų12745.5 Ų45.559%0.59325%0.25SC*.EExtended strand (participates in β ladder)trans-141.3161.3176.2-56.1178.7171.300110.3I7 T8I7-E59 WeakPolarHBondContact CA-O 3.43Å; T8-E59 PolarHBondContact N-O 2.97Å; T8-E59 PolarHBondContact O-N 3.43Å; T8-E59 VanDerWaalsContact O-N 3.08Å
60G97.3Very high96.6Very high36 Ų3643.4 Ų43.437%0.37125%0.246SC..EExtended strand (participates in β ladder)trans100.6-178.2177.800000113.8S5 N6S5-G60 CarbonylContact O-C 3.59Å; S5-G60 WeakPolarHBondContact O-CA 2.8Å; N6-G60 VanDerWaalsContact O-CA 3.3Å; N6-G60 WeakPolarHBondContact O-CA 3.3Å
61S97.6Very high96.5Very high33 Ų3348.7 Ų48.723%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-127.9142.8-173.7690000112.4S5 I7 E68S5-S61 WeakPolarHBondContact CB-OG 3.4Å; S5-S61 PolarHBondContact N-O 3.08Å; S5-S61 PolarHBondContact O-N 2.81Å; I7-S61 WeakPolarHBondContact CD1-O 3.39Å; S61-E68 WeakPolarHBondContact CB-OE2 3.3Å
62V98.4Very high96.4Very high0 Ų049.7 Ų49.70%028%0.284CS..EExtended strand (participates in β ladder)trans-123.4103.5-176.2-179.30000108.2L4 I7 L53 P57 V64 E68 L69 T70L4-V62 HydrophobicContact CD2-CB 4.17Å; L4-V62 HydrophobicContact CD2-CG1 3.79Å; L4-V62 HydrophobicContact CD2-CG2 3.93Å; I7-V62 HydrophobicContact CD1-CG2 3.77Å; L53-V62 HydrophobicContact CD1-CG2 4.35Å; P57-V62 HydrophobicContact CG-CG2 4.15Å; V62-V64 HydrophobicContact CG1-CG2 4.41Å; V62-E68 PolarHBondContact N-OE1 2.74Å; V62-L69 HydrophobicContact CB-CB 4.43Å; V62-L69 HydrophobicContact CG1-CB 4.35Å; V62-L69 HydrophobicContact CG1-CD1 4.06Å; V62-L69 HydrophobicContact CG1-CG 4.37Å; V62-L69 PolarHBondContact O-N 2.93Å; V62-T70 HydrophobicContact CB-CG2 4.12Å; V62-T70 HydrophobicContact CG2-CG2 3.99Å
63L97.9Very high96.5Very high45 Ų4551.9 Ų51.924%0.23630%0.3CS..EExtended strand (participates in β ladder)trans-104.6127.2174.5-63.488.6000110.5K3 Q67 E68K3-L63 HydrophobicContact CB-CB 4.24Å; K3-L63 PolarHBondContact N-O 2.81Å; K3-L63 PolarHBondContact O-N 3.18Å; L63-Q67 WeakPolarHBondContact CA-O 3.35Å; L63-E68 WeakPolarHBondContact CD1-OE2 3.29Å; L63-E68 VanDerWaalsContact CG-OE2 3.28Å; L63-E68 WeakPolarHBondContact CG-OE2 3.48Å
64V97.6Very high96.4Very high9 Ų957.1 Ų57.16%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-126.8125.9171.5-1780000108.6V51 V62 G66 Q67 L69 I84 V161V51-V64 HydrophobicContact CG1-CG2 4.01Å; V62-V64 HydrophobicContact CG1-CG2 4.41Å; V64-G66 PolarHBondContact O-N 3.29Å; V64-G66 VanDerWaalsContact O-N 3.14Å; V64-Q67 PolarHBondContact N-O 3.16Å; V64-Q67 PolarHBondContact O-N 3.18Å; V64-L69 HydrophobicContact CB-CD1 4.19Å; V64-L69 HydrophobicContact CG2-CD1 3.74Å; V64-L69 HydrophobicContact CG2-CG 4.39Å; V64-I84 HydrophobicContact CB-CD1 4.18Å; V64-I84 HydrophobicContact CG1-CD1 3.88Å; V64-I84 HydrophobicContact CG1-CG1 4.02Å; V64-I84 HydrophobicContact CG2-CD1 4.06Å; V64-V161 HydrophobicContact CG1-CG2 3.94Å
65D95.7Very high96.4Very high76 Ų7656.8 Ų56.841%0.40633%0.329SS..THydrogen-bonded Turntrans53.233.7-177.1-164.745.9000113.2M1 Q67 K160M1-D65 PolarHBondContact O-N 3.38Å; M1-D65 HydrophobicContact SD-CB 3.86Å; D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 3.26Å; D65-K160 HydrophobicContact CB-CD 4.38Å; D65-K160 IonicContact OD1-NZ 3.73Å; D65-K160 VanDerWaalsContact OD2-CD 3.3Å; D65-K160 WeakPolarHBondContact OD2-CD 3.42Å; D65-K160 WeakPolarHBondContact OD2-CE 3.43Å; D65-K160 IonicContact OD2-NZ 2.69Å; D65-K160 PolarHBondContact OD2-NZ 3.46Å
66G94.8Very high96.4Very high68 Ų6858.6 Ų58.670%0.70134%0.337SS*.THydrogen-bonded Turntrans81.6-5.7-178.300000115.3V64V64-G66 PolarHBondContact O-N 3.29Å; V64-G66 VanDerWaalsContact O-N 3.14Å
67Q96.1Very high96.4Very high85 Ų8553.6 Ų53.640%0.39732%0.318SS..EExtended strand (participates in β ladder)trans-93.1124.4176.8-170.1175.42700111L63 V64 D65 L69 L72L63-Q67 WeakPolarHBondContact CA-O 3.35Å; V64-Q67 PolarHBondContact N-O 3.16Å; V64-Q67 PolarHBondContact O-N 3.18Å; D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 3.26Å; Q67-L69 HydrophobicContact CG-CD2 4.46Å; Q67-L69 PolarHBondContact O-N 3.34Å; Q67-L72 HydrophobicContact CG-CD1 4.15Å; Q67-L72 HydrophobicContact CG-CD2 4.36Å
68E97.2Very high96.2Very high42 Ų4256.3 Ų56.320%0.19634%0.335CS..EExtended strand (participates in β ladder)trans-72.1119.5171179.859.2-129.600109.8S61 V62 L63 T70 T71 L72S61-E68 WeakPolarHBondContact CB-OE2 3.3Å; V62-E68 PolarHBondContact N-OE1 2.74Å; L63-E68 WeakPolarHBondContact CD1-OE2 3.29Å; L63-E68 VanDerWaalsContact CG-OE2 3.28Å; L63-E68 WeakPolarHBondContact CG-OE2 3.48Å; E68-T70 WeakPolarHBondContact OE1-CB 3.44Å; E68-T70 WeakPolarHBondContact OE1-CG2 3.37Å; E68-T70 PolarHBondContact OE1-N 3.29Å; E68-T70 PolarHBondContact OE1-OG1 3.45Å; E68-T71 HydrophobicContact CG-CG2 4.12Å; E68-L72 WeakPolarHBondContact O-CG 3.22Å
69L97Very high96Very high2 Ų259.1 Ų59.11%0.0134%0.34CS..SBendtrans-87.9-27-175.4-58.3-171.1000113.1V51 L53 V62 V64 Q67 T71 L72 A80 I84V51-L69 VanDerWaalsContact O-CD1 3.3Å; V51-L69 WeakPolarHBondContact O-CD1 3.44Å; L53-L69 WeakPolarHBondContact CD2-O 3.33Å; V62-L69 HydrophobicContact CB-CB 4.43Å; V62-L69 HydrophobicContact CG1-CB 4.35Å; V62-L69 HydrophobicContact CG1-CD1 4.06Å; V62-L69 HydrophobicContact CG1-CG 4.37Å; V62-L69 PolarHBondContact O-N 2.93Å; V64-L69 HydrophobicContact CB-CD1 4.19Å; V64-L69 HydrophobicContact CG2-CD1 3.74Å; V64-L69 HydrophobicContact CG2-CG 4.39Å; Q67-L69 HydrophobicContact CG-CD2 4.46Å; Q67-L69 PolarHBondContact O-N 3.34Å; L69-T71 PolarHBondContact O-N 3.45Å; L69-L72 HydrophobicContact CD2-CD1 3.72Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-A80 HydrophobicContact CD2-CB 3.79Å; L69-I84 HydrophobicContact CD1-CD1 4.03Å
70T95.1Very high95.9Very high34 Ų3453.5 Ų53.521%0.20932%0.315CS..THydrogen-bonded Turntrans-65.6-26.4-174.358.60000113.1L53 R56 P57 V62 E68L53-T70 HydrophobicContact CD1-CG2 4.18Å; R56-T70 PolarHBondContact NH1-O 3.21Å; P57-T70 HydrophobicContact CG-CG2 4.15Å; V62-T70 HydrophobicContact CB-CG2 4.12Å; V62-T70 HydrophobicContact CG2-CG2 3.99Å; E68-T70 WeakPolarHBondContact OE1-CB 3.44Å; E68-T70 WeakPolarHBondContact OE1-CG2 3.37Å; E68-T70 PolarHBondContact OE1-N 3.29Å; E68-T70 PolarHBondContact OE1-OG1 3.45Å
71T94.5Very high95.8Very high111 Ų11155.4 Ų55.468%0.68131%0.311SS*.THydrogen-bonded Turntrans-96.4-6.2-17757.80000114.3E68 L69E68-T71 HydrophobicContact CG-CG2 4.12Å; L69-T71 PolarHBondContact O-N 3.45Å
72L95.5Very high95.6Very high22 Ų2257.9 Ų57.912%0.11532%0.316CS..  trans-72.7146.8-177.7-64-177.6000112.5Q67 E68 L69 E76 L77 A80Q67-L72 HydrophobicContact CG-CD1 4.15Å; Q67-L72 HydrophobicContact CG-CD2 4.36Å; E68-L72 WeakPolarHBondContact O-CG 3.22Å; L69-L72 HydrophobicContact CD2-CD1 3.72Å; L69-L72 PolarHBondContact O-N 2.91Å; L72-E76 HydrophobicContact CB-CB 3.95Å; L72-E76 HydrophobicContact CD1-CB 4.28Å; L72-E76 HydrophobicContact CD2-CB 4Å; L72-E76 HydrophobicContact CG-CB 4.28Å; L72-L77 HydrophobicContact CB-CB 4.36Å; L72-A80 HydrophobicContact CD1-CB 4.08Å
73S95.5Very high95.5Very high56 Ų5661.5 Ų61.539%0.39233%0.332SS..  trans-66.8160.5163.766.30000111.3S75 E76 L77S73-S75 PolarHBondContact O-N 3.13Å; S73-E76 WeakPolarHBondContact CB-OE2 3.09Å; S73-E76 PolarHBondContact N-OE2 3.14Å; S73-E76 PolarHBondContact O-N 3.48Å; S73-E76 VanDerWaalsContact O-N 3.12Å; S73-E76 WeakPolarHBondContact OG-CG 3.43Å; S73-E76 PolarHBondContact OG-N 3.31Å; S73-E76 PolarHBondContact OG-OE2 3.32Å; S73-L77 WeakPolarHBondContact O-CB 3.34Å; S73-L77 PolarHBondContact O-N 2.96Å
74E95.2Very high95.5Very high118 Ų11860 Ų6055%0.55133%0.325SS*.Hα-helixtrans-57.7-32.4178.7-71.7-61.4142.400113.4R56 T78R56-E74 IonicContact NH2-OE1 2.95Å; E74-T78 WeakPolarHBondContact O-CB 3.41Å; E74-T78 PolarHBondContact O-N 3.35Å; E74-T78 PolarHBondContact O-OG1 2.81Å
75S94.7Very high95.4Very high78 Ų7859.9 Ų59.955%0.54533%0.325SS..Hα-helixtrans-69.8-43.9176.6-175.60000111.9S73 T78 K79S73-S75 PolarHBondContact O-N 3.13Å; S75-T78 PolarHBondContact O-N 3.34Å; S75-K79 PolarHBondContact O-N 2.94Å
76E95.4Very high95.5Very high92 Ų9257.1 Ų57.143%0.4331%0.31SS..Hα-helixtrans-68.1-40.7175.8-68.4165.5131.100111.4L72 S73 T78 K79 A80L72-E76 HydrophobicContact CB-CB 3.95Å; L72-E76 HydrophobicContact CD1-CB 4.28Å; L72-E76 HydrophobicContact CD2-CB 4Å; L72-E76 HydrophobicContact CG-CB 4.28Å; S73-E76 WeakPolarHBondContact CB-OE2 3.09Å; S73-E76 PolarHBondContact N-OE2 3.14Å; S73-E76 PolarHBondContact O-N 3.48Å; S73-E76 VanDerWaalsContact O-N 3.12Å; S73-E76 WeakPolarHBondContact OG-CG 3.43Å; S73-E76 PolarHBondContact OG-N 3.31Å; S73-E76 PolarHBondContact OG-OE2 3.32Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 3.03Å; E76-K79 WeakPolarHBondContact O-CB 3.27Å; E76-K79 PolarHBondContact O-N 3.23Å; E76-K79 VanDerWaalsContact O-N 3.16Å; E76-A80 PolarHBondContact O-N 3.21Å
77L96Very high95.5Very high1 Ų154 Ų541%0.00528%0.277CS..Hα-helixtrans-61.4-39.3175.2-178.461000111.5L53 L72 S73 K79 A80 R81L53-L77 HydrophobicContact CB-CD1 4.01Å; L53-L77 HydrophobicContact CB-CD2 4.36Å; L53-L77 HydrophobicContact CD2-CD1 3.95Å; L53-L77 HydrophobicContact CD2-CD2 3.79Å; L72-L77 HydrophobicContact CB-CB 4.36Å; S73-L77 WeakPolarHBondContact O-CB 3.34Å; S73-L77 PolarHBondContact O-N 2.96Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.17Å; L77-A80 PolarHBondContact O-N 3.01Å; L77-R81 HydrophobicContact CD1-CG 4.43Å; L77-R81 WeakPolarHBondContact O-CB 3.49Å; L77-R81 VanDerWaalsContact O-CG 3.32Å; L77-R81 WeakPolarHBondContact O-CG 3.48Å; L77-R81 PolarHBondContact O-N 3.4Å
78T94.6Very high95.3Very high69 Ų6952.5 Ų52.542%0.42327%0.269SS..Hα-helixtrans-61.1-42.7174.7-62.30000111.4E74 S75 E76 R81 R82E74-T78 WeakPolarHBondContact O-CB 3.41Å; E74-T78 PolarHBondContact O-N 3.35Å; E74-T78 PolarHBondContact O-OG1 2.81Å; S75-T78 PolarHBondContact O-N 3.34Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 3.03Å; T78-R81 PolarHBondContact O-N 2.93Å; T78-R82 PolarHBondContact O-N 2.94Å
79K92.7Very high94.9Very high138 Ų13854.4 Ų54.460%0.628%0.278SS*.Hα-helixtrans-65.5-43175.2-68.1177.2-177.1176.80111.9S75 E76 L77 R81 R82S75-K79 PolarHBondContact O-N 2.94Å; E76-K79 WeakPolarHBondContact O-CB 3.27Å; E76-K79 PolarHBondContact O-N 3.23Å; E76-K79 VanDerWaalsContact O-N 3.16Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.17Å; K79-R81 VanDerWaalsContact C-N 3.35Å; K79-R81 PolarHBondContact O-N 3.46Å; K79-R82 WeakPolarHBondContact O-CB 3.43Å; K79-R82 PolarHBondContact O-N 3.41Å
80A95.2Very high94.4Very high8 Ų860.4 Ų60.47%0.06631%0.306CS..Hα-helixtrans-62.1-41.5177.400000111.8L69 L72 E76 L77 R82 Q83L69-A80 HydrophobicContact CD2-CB 3.79Å; L72-A80 HydrophobicContact CD1-CB 4.08Å; E76-A80 PolarHBondContact O-N 3.21Å; L77-A80 PolarHBondContact O-N 3.01Å; A80-R82 PolarHBondContact O-N 3.49Å; A80-Q83 WeakPolarHBondContact O-CB 3.3Å; A80-Q83 PolarHBondContact O-N 2.88Å
81R95.8Very high94.2Very high76 Ų7660.9 Ų60.929%0.28731%0.305SS..Hα-helixtrans-61-26.1177.6-78.8173.3173.3157.4-2.1113.6N52 L53 L77 T78 K79 Q83 I84N52-R81 PolarHBondContact O-NE 3.32Å; N52-R81 PolarHBondContact O-NH2 3.4Å; L53-R81 PolarHBondContact O-NH2 3.06Å; L77-R81 HydrophobicContact CD1-CG 4.43Å; L77-R81 WeakPolarHBondContact O-CB 3.49Å; L77-R81 VanDerWaalsContact O-CG 3.32Å; L77-R81 WeakPolarHBondContact O-CG 3.48Å; L77-R81 PolarHBondContact O-N 3.4Å; T78-R81 PolarHBondContact O-N 2.93Å; K79-R81 VanDerWaalsContact C-N 3.35Å; K79-R81 PolarHBondContact O-N 3.46Å; R81-Q83 PolarHBondContact O-N 3.47Å; R81-I84 CarbonylContact O-C 3.49Å; R81-I84 PolarHBondContact O-N 3.32Å
82R93.7Very high94.1Very high86 Ų8659.7 Ų59.733%0.32530%0.295SS..THydrogen-bonded Turntrans-62.8-24.7172.9-63172.7-177-161.1-12.2112.5T78 K79 A80 I84 L109 D110 S157T78-R82 PolarHBondContact O-N 2.94Å; K79-R82 WeakPolarHBondContact O-CB 3.43Å; K79-R82 PolarHBondContact O-N 3.41Å; A80-R82 PolarHBondContact O-N 3.49Å; R82-I84 VanDerWaalsContact C-N 3.32Å; R82-L109 PolarHBondContact NH2-O 2.94Å; R82-D110 VanDerWaalsContact CD-OD1 3.3Å; R82-D110 WeakPolarHBondContact CD-OD1 3.38Å; R82-D110 WeakPolarHBondContact CD-OD2 3.42Å; R82-D110 VanDerWaalsContact CZ-CG 3.41Å; R82-D110 IonicContact CZ-OD1 3.43Å; R82-D110 IonicContact CZ-OD2 2.71Å; R82-D110 IonicContact NE-OD1 2.91Å; R82-D110 PolarHBondContact NE-OD1 3.49Å; R82-D110 IonicContact NE-OD2 3.15Å; R82-D110 IonicContact NH1-OD1 2.69Å; R82-D110 PolarHBondContact NH1-OD1 2.95Å; R82-D110 IonicContact NH1-OD2 2.76Å; R82-D110 IonicContact NH2-OD1 3.34Å; R82-D110 PolarHBondContact NH2-OD1 2.83Å; R82-S157 WeakPolarHBondContact O-CB 3.27Å
83Q95.1Very high94.1Very high75 Ų7560.1 Ų60.135%0.3530%0.297SS..THydrogen-bonded Turntrans-87.2-0.5176.3-57.7-59.1-59.600113.2A80 R81 P159 K160 V161A80-Q83 WeakPolarHBondContact O-CB 3.3Å; A80-Q83 PolarHBondContact O-N 2.88Å; R81-Q83 PolarHBondContact O-N 3.47Å; Q83-P159 VanDerWaalsContact C-CB 3.46Å; Q83-P159 WeakPolarHBondContact O-CA 3.49Å; Q83-P159 VanDerWaalsContact O-CB 3.23Å; Q83-P159 WeakPolarHBondContact O-CB 3.36Å; Q83-K160 PolarHBondContact O-N 3.49Å; Q83-V161 PolarHBondContact O-N 3.15Å
84I97.3Very high94.2Very high15 Ų1560.8 Ų60.88%0.07730%0.296CS..EExtended strand (participates in β ladder)trans-126.1100.7-176.8-51174.3000109.2N52 V64 L69 R81 R82 V161 L163N52-I84 HydrophobicContact CB-CG2 4.09Å; V64-I84 HydrophobicContact CB-CD1 4.18Å; V64-I84 HydrophobicContact CG1-CD1 3.88Å; V64-I84 HydrophobicContact CG1-CG1 4.02Å; V64-I84 HydrophobicContact CG2-CD1 4.06Å; L69-I84 HydrophobicContact CD1-CD1 4.03Å; R81-I84 CarbonylContact O-C 3.49Å; R81-I84 PolarHBondContact O-N 3.32Å; R82-I84 VanDerWaalsContact C-N 3.32Å; I84-V161 HydrophobicContact CG2-CB 4.41Å; I84-V161 HydrophobicContact CG2-CG1 4.24Å; I84-L163 HydrophobicContact CG2-CD1 3.67Å; I84-L163 HydrophobicContact CG2-CG 3.83Å
85G96.6Very high94.2Very high5 Ų559.9 Ų59.95%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-74.3144.117100000110.8V161 L162 L163G85-V161 PolarHBondContact N-O 2.88Å; G85-L162 WeakPolarHBondContact O-CA 3.43Å; G85-L163 PolarHBondContact O-N 2.87Å
86M96.9Very high94.3Very high19 Ų1960.4 Ų60.49%0.09431%0.306CS..EExtended strand (participates in β ladder)trans-133.3134.5173.2-173174.2-172.900111.5I48 R49 N52 L54 F88 L163 D165I48-M86 HydrophobicContact CG2-CE 4.35Å; R49-M86 HydrophobicContact CG-CE 4.21Å; N52-M86 PolarHBondContact ND2-SD 2.6Å; L54-M86 HydrophobicContact CD1-SD 3.71Å; M86-F88 HydrophobicContact CB-CE2 4.48Å; M86-F88 HydrophobicContact CE-CD1 3.99Å; M86-F88 HydrophobicContact CE-CE1 3.95Å; M86-F88 HydrophobicContact CG-CE1 4.29Å; M86-F88 HydrophobicContact CG-CE2 4.34Å; M86-F88 HydrophobicContact CG-CZ 4.19Å; M86-F88 HydrophobicContact SD-CD1 4.16Å; M86-F88 HydrophobicContact SD-CE1 3.62Å; M86-F88 HydrophobicContact SD-CZ 3.85Å; M86-L163 CarbonylContact C-O 3.43Å; M86-L163 WeakPolarHBondContact CA-O 3.45Å; M86-L163 HydrophobicContact CB-CB 4.27Å; M86-L163 HydrophobicContact CG-CB 4.06Å; M86-D165 HydrophobicContact CE-CB 4.01Å
87I95.3Very high94.5Very high1 Ų159 Ų591%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-110.5128.1170.4-61.6163000106.9I151 A154 L162 L163 D165 A167 L183I87-I151 HydrophobicContact CD1-CB 4.32Å; I87-I151 HydrophobicContact CD1-CG1 3.53Å; I87-I151 HydrophobicContact CG1-CG1 4.37Å; I87-A154 HydrophobicContact CG1-CB 3.96Å; I87-L162 HydrophobicContact CD1-CD1 3.83Å; I87-L162 HydrophobicContact CD1-CD2 3.95Å; I87-L162 HydrophobicContact CD1-CG 4.15Å; I87-L162 HydrophobicContact CG1-CD1 4.04Å; I87-L163 PolarHBondContact N-O 3.14Å; I87-D165 PolarHBondContact O-N 3.21Å; I87-A167 HydrophobicContact CG2-CB 3.87Å; I87-L183 HydrophobicContact CD1-CD2 4.32Å
88F92.1Very high94.6Very high54 Ų5460.2 Ų60.224%0.23730%0.304CS..  trans-97.2161.4-174.9-63.5-90.7000111.4L54 M86 H90 N92 D165L54-F88 HydrophobicContact CD1-CE1 4.22Å; M86-F88 HydrophobicContact CB-CE2 4.48Å; M86-F88 HydrophobicContact CE-CD1 3.99Å; M86-F88 HydrophobicContact CE-CE1 3.95Å; M86-F88 HydrophobicContact CG-CE1 4.29Å; M86-F88 HydrophobicContact CG-CE2 4.34Å; M86-F88 HydrophobicContact CG-CZ 4.19Å; M86-F88 HydrophobicContact SD-CD1 4.16Å; M86-F88 HydrophobicContact SD-CE1 3.62Å; M86-F88 HydrophobicContact SD-CZ 3.85Å; F88-H90 VanDerWaalsContact C-N 3.29Å; F88-H90 CarbonylContact C-O 3.51Å; F88-H90 WeakPolarHBondContact CB-O 3.2Å; F88-H90 PolarHBondContact O-N 3.27Å; F88-N92 HydrophobicContact CB-CB 4.45Å; F88-N92 VanDerWaalsContact CB-ND2 3.31Å; F88-N92 WeakPolarHBondContact CB-ND2 3.35Å; F88-N92 WeakPolarHBondContact CD1-ND2 3.31Å; F88-N92 HydrophobicContact CD2-CB 4.1Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.39Å; F88-N92 HydrophobicContact CG-CB 4.43Å; F88-N92 WeakPolarHBondContact CG-ND2 2.76Å; F88-D165 CarbonylContact C-O 3.53Å; F88-D165 VanDerWaalsContact C-O 3.31Å
89Q88.2Confident94.7Very high82 Ų8257 Ų5738%0.38328%0.284SS..SBendtrans-59.1-41.1176.3-179.2-178.64.400111.9D165 E166Q89-D165 WeakPolarHBondContact CA-O 3.47Å; Q89-D165 PolarHBondContact N-O 2.79Å; Q89-E166 HydrophobicContact CB-CB 4.24Å; Q89-E166 HydrophobicContact CG-CB 3.97Å
90H87.3Confident95Very high128 Ų12852.4 Ų52.459%0.59326%0.264SS*.SBendtrans-97.7142.8166.2-58.8-49.5000108.9F88 N92F88-H90 VanDerWaalsContact C-N 3.29Å; F88-H90 CarbonylContact C-O 3.51Å; F88-H90 WeakPolarHBondContact CB-O 3.2Å; F88-H90 PolarHBondContact O-N 3.27Å; H90-N92 VanDerWaalsContact O-CG 3.27Å; H90-N92 PolarHBondContact O-N 3.44Å; H90-N92 PolarHBondContact O-OD1 2.96Å
91F90.2Very high95.1Very high45 Ų4552.2 Ų52.220%0.19726%0.264CS..  trans-52.4-27.1-172.6-48.9-62.9000114.4L93 G143 K146 Q147 R153 L171F91-L93 HydrophobicContact CB-CD1 4.28Å; F91-L93 HydrophobicContact CB-CG 3.93Å; F91-L93 PolarHBondContact O-N 3.16Å; F91-L93 VanDerWaalsContact O-N 3.13Å; F91-G143 WeakPolarHBondContact CE1-O 3.45Å; F91-G143 WeakPolarHBondContact CZ-O 3.32Å; F91-K146 HydrophobicContact CB-CB 4.09Å; F91-K146 HydrophobicContact CD1-CB 3.66Å; F91-K146 HydrophobicContact CD2-CB 3.71Å; F91-K146 HydrophobicContact CD2-CD 3.54Å; F91-K146 HydrophobicContact CD2-CG 4.24Å; F91-K146 HydrophobicContact CE1-CB 3.99Å; F91-K146 HydrophobicContact CE2-CB 4.01Å; F91-K146 HydrophobicContact CE2-CD 3.66Å; F91-K146 HydrophobicContact CE2-CG 4.49Å; F91-K146 HydrophobicContact CG-CB 3.52Å; F91-K146 HydrophobicContact CG-CD 4.23Å; F91-K146 HydrophobicContact CG-CG 4.46Å; F91-K146 HydrophobicContact CZ-CB 4.15Å; F91-K146 HydrophobicContact CZ-CD 4.45Å; F91-Q147 HydrophobicContact CD1-CB 4.28Å; F91-Q147 HydrophobicContact CE1-CB 4.03Å; F91-Q147 VanDerWaalsContact CE1-OE1 3.27Å; F91-R153 PolarHBondContact O-NH2 3.07Å; F91-L171 HydrophobicContact CE1-CD2 4.29Å; F91-L171 HydrophobicContact CZ-CD2 4.24Å
92N92.9Very high95.3Very high86 Ų8648.6 Ų48.646%0.4625%0.25SS..  trans50.838178.7-70.9-6.2000112.7F88 H90 R153F88-N92 HydrophobicContact CB-CB 4.45Å; F88-N92 VanDerWaalsContact CB-ND2 3.31Å; F88-N92 WeakPolarHBondContact CB-ND2 3.35Å; F88-N92 WeakPolarHBondContact CD1-ND2 3.31Å; F88-N92 HydrophobicContact CD2-CB 4.1Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.39Å; F88-N92 HydrophobicContact CG-CB 4.43Å; F88-N92 WeakPolarHBondContact CG-ND2 2.76Å; H90-N92 VanDerWaalsContact O-CG 3.27Å; H90-N92 PolarHBondContact O-N 3.44Å; H90-N92 PolarHBondContact O-OD1 2.96Å; N92-R153 PolarHBondContact O-NH1 3.4Å; N92-R153 PolarHBondContact O-NH2 3.31Å; N92-R153 VanDerWaalsContact O-NH2 3.16Å
93L96.2Very high95.5Very high30 Ų3044.5 Ų44.516%0.15724%0.235CC..  trans-84.8142.2177.3-57.6-179.4000110.1F91 S95 P138 K146 V149 A150F91-L93 HydrophobicContact CB-CD1 4.28Å; F91-L93 HydrophobicContact CB-CG 3.93Å; F91-L93 PolarHBondContact O-N 3.16Å; F91-L93 VanDerWaalsContact O-N 3.13Å; L93-S95 PolarHBondContact O-N 3.3Å; L93-P138 HydrophobicContact CB-CB 4.24Å; L93-P138 HydrophobicContact CB-CG 3.96Å; L93-P138 HydrophobicContact CD1-CB 4.24Å; L93-P138 HydrophobicContact CD1-CG 4.29Å; L93-K146 HydrophobicContact CD1-CB 3.86Å; L93-K146 HydrophobicContact CD1-CG 4.07Å; L93-V149 HydrophobicContact CD1-CB 3.96Å; L93-V149 HydrophobicContact CD1-CG1 4.04Å; L93-V149 HydrophobicContact CD2-CB 4.17Å; L93-V149 HydrophobicContact CD2-CG1 3.75Å; L93-A150 HydrophobicContact CD2-CB 4.29Å
94L97.2Very high95.6Very high71 Ų7141 Ų4137%0.37222%0.218SC..  trans-73.3113.3171.9-64.4176.7000108.9S96 R97 N102 L105L94-S96 PolarHBondContact O-N 3.4Å; L94-R97 HydrophobicContact CB-CB 4.34Å; L94-R97 HydrophobicContact CB-CG 4.18Å; L94-R97 HydrophobicContact CD1-CG 4.23Å; L94-R97 PolarHBondContact O-N 3.26Å; L94-N102 PolarHBondContact N-OD1 3.16Å; L94-N102 PolarHBondContact O-ND2 3.49Å; L94-L105 HydrophobicContact CD1-CD2 3.76Å
95S95.9Very high95.6Very high99 Ų9942.4 Ų42.469%0.69223%0.226SC*.THydrogen-bonded Turntrans-63.3-22.1174.654.10000113L93 R97 Y137L93-S95 PolarHBondContact O-N 3.3Å; S95-R97 VanDerWaalsContact C-N 3.27Å; S95-R97 PolarHBondContact O-N 3.01Å; S95-Y137 WeakPolarHBondContact O-CD1 3.35Å
96S96.7Very high95.6Very high89 Ų8943.2 Ų43.262%0.62223%0.23SC*.THydrogen-bonded Turntrans-75.5-10.5176.9570000114.1L94L94-S96 PolarHBondContact O-N 3.4Å
97R97.8Very high95.6Very high62 Ų6242.9 Ų42.923%0.23423%0.229CC..SBendtrans-122.2150-176.7-56.6-167.678158-1.8111L94 S95 G101 N102 E108 P138L94-R97 HydrophobicContact CB-CB 4.34Å; L94-R97 HydrophobicContact CB-CG 4.18Å; L94-R97 HydrophobicContact CD1-CG 4.23Å; L94-R97 PolarHBondContact O-N 3.26Å; S95-R97 VanDerWaalsContact C-N 3.27Å; S95-R97 PolarHBondContact O-N 3.01Å; R97-G101 VanDerWaalsContact CZ-O 3.31Å; R97-G101 PolarHBondContact NE-O 2.79Å; R97-N102 PolarHBondContact O-ND2 3.42Å; R97-N102 VanDerWaalsContact O-ND2 3.08Å; R97-E108 IonicContact CZ-OE1 3.89Å; R97-E108 IonicContact CZ-OE2 2.92Å; R97-E108 VanDerWaalsContact CZ-OE2 3.26Å; R97-E108 IonicContact NH1-OE1 3.72Å; R97-E108 IonicContact NH1-OE2 2.69Å; R97-E108 PolarHBondContact NH1-OE2 3.28Å; R97-E108 IonicContact NH2-OE1 2.74Å; R97-E108 PolarHBondContact NH2-OE1 2.91Å; R97-E108 IonicContact NH2-OE2 4Å; R97-E108 PolarHBondContact NH2-OE2 3Å; R97-P138 WeakPolarHBondContact O-CD 3.42Å
98T98.2Very high95.6Very high27 Ų2746.3 Ų46.317%0.16625%0.245CC..  trans-66.7175.7170.461.80000111.3F100 G101 N102 D135 S136 Y137T98-F100 VanDerWaalsContact C-N 3.32Å; T98-F100 PolarHBondContact O-N 2.98Å; T98-G101 PolarHBondContact O-N 3.37Å; T98-G101 PolarHBondContact OG1-N 3.39Å; T98-G101 VanDerWaalsContact OG1-N 3.16Å; T98-N102 PolarHBondContact O-N 3.26Å; T98-N102 PolarHBondContact O-ND2 3Å; T98-D135 WeakPolarHBondContact CG2-O 3.3Å; T98-S136 CarbonylContact C-O 3.6Å; T98-S136 VanDerWaalsContact CA-O 3.25Å; T98-S136 WeakPolarHBondContact CA-O 3.43Å; T98-Y137 HydrophobicContact CG2-CD2 4.2Å; T98-Y137 HydrophobicContact CG2-CE1 4.23Å; T98-Y137 HydrophobicContact CG2-CE2 3.75Å
99V98.2Very high95.7Very high1 Ų149.2 Ų49.21%0.00626%0.262CS..Hα-helixtrans-51.7-51.6169167.60000110.7G101 N102 V103 L125 K133 S136 L141 V149V99-G101 PolarHBondContact O-N 2.72Å; V99-N102 PolarHBondContact O-N 3.14Å; V99-V103 WeakPolarHBondContact O-CG2 3.49Å; V99-V103 PolarHBondContact O-N 3.31Å; V99-V103 VanDerWaalsContact O-N 3.16Å; V99-L125 HydrophobicContact CG1-CD1 4.05Å; V99-L125 HydrophobicContact CG1-CD2 3.36Å; V99-L125 HydrophobicContact CG1-CG 4.37Å; V99-K133 VanDerWaalsContact CB-O 3.31Å; V99-K133 WeakPolarHBondContact CB-O 3.43Å; V99-K133 VanDerWaalsContact CG2-O 3.29Å; V99-K133 WeakPolarHBondContact CG2-O 3.41Å; V99-S136 WeakPolarHBondContact CG2-O 3.36Å; V99-S136 PolarHBondContact N-O 3.37Å; V99-L141 HydrophobicContact CG2-CD1 3.59Å; V99-L141 HydrophobicContact CG2-CD2 4.48Å; V99-V149 HydrophobicContact CB-CG2 4.33Å; V99-V149 HydrophobicContact CG1-CG1 4.42Å; V99-V149 HydrophobicContact CG1-CG2 3.88Å; V99-V149 HydrophobicContact CG2-CG2 3.76Å
100F98.4Very high95.8Very high41 Ų4147.4 Ų47.418%0.1826%0.255CS..Hα-helixtrans-57.2-48.2175.9179.5-92.1000111.9T98 N102 V103 A104 I117 V121 H134T98-F100 VanDerWaalsContact C-N 3.32Å; T98-F100 PolarHBondContact O-N 2.98Å; F100-N102 VanDerWaalsContact C-N 3.3Å; F100-N102 PolarHBondContact O-N 2.94Å; F100-V103 PolarHBondContact O-N 2.98Å; F100-A104 HydrophobicContact CD1-CB 4.33Å; F100-A104 HydrophobicContact CE1-CB 4.13Å; F100-A104 VanDerWaalsContact O-CB 3.25Å; F100-A104 WeakPolarHBondContact O-CB 3.46Å; F100-A104 PolarHBondContact O-N 3.27Å; F100-I117 HydrophobicContact CZ-CG2 4.13Å; F100-V121 HydrophobicContact CB-CG1 4.45Å; F100-V121 HydrophobicContact CD2-CB 3.73Å; F100-V121 HydrophobicContact CD2-CG1 3.17Å; F100-V121 HydrophobicContact CD2-CG2 4.47Å; F100-V121 HydrophobicContact CE2-CB 3.52Å; F100-V121 HydrophobicContact CE2-CG1 3.56Å; F100-V121 HydrophobicContact CE2-CG2 4.15Å; F100-V121 HydrophobicContact CG-CG1 3.95Å; F100-V121 HydrophobicContact CZ-CB 4.3Å; F100-V121 HydrophobicContact CZ-CG2 4.47Å; F100-H134 VanDerWaalsContact CB-CE1 3.42Å; F100-H134 WeakPolarHBondContact CB-CE1 3.39Å; F100-H134 WeakPolarHBondContact CB-O 3.4Å; F100-H134 AromaticContact CD2-CD2 3.45Å; F100-H134 VanDerWaalsContact CD2-CD2 3.45Å; F100-H134 WeakPolarHBondContact CD2-CD2 3.27Å; F100-H134 AromaticContact CD2-CE1 3.43Å; F100-H134 VanDerWaalsContact CD2-CE1 3.43Å; F100-H134 WeakPolarHBondContact CD2-CE1 3.46Å; F100-H134 AromaticContact CD2-NE2 2.8Å; F100-H134 WeakPolarHBondContact CD2-NE2 3.38Å; F100-H134 AromaticContact CE2-NE2 3.4Å; F100-H134 WeakPolarHBondContact CE2-NE2 3.31Å; F100-H134 AromaticContact CG-CD2 3.98Å; F100-H134 AromaticContact CG-CE1 3.39Å; F100-H134 WeakPolarHBondContact CG-CE1 3.49Å; F100-H134 AromaticContact CG-NE2 3.31Å; F100-H134 VanDerWaalsContact CG-NE2 3.31Å; F100-H134 WeakPolarHBondContact CG-NE2 3.48Å; F100-H134 PolarHBondContact N-O 2.97Å
101G98Very high96.1Very high5 Ų548.3 Ų48.35%0.05226%0.264CS..Hα-helixtrans-63.4-34.4-178.300000113.5R97 T98 V99 L105R97-G101 VanDerWaalsContact CZ-O 3.31Å; R97-G101 PolarHBondContact NE-O 2.79Å; T98-G101 PolarHBondContact O-N 3.37Å; T98-G101 PolarHBondContact OG1-N 3.39Å; T98-G101 VanDerWaalsContact OG1-N 3.16Å; V99-G101 PolarHBondContact O-N 2.72Å; G101-L105 PolarHBondContact O-N 2.77Å
102N98.4Very high96.4Very high0 Ų047.9 Ų47.90%027%0.265CS..Hα-helixtrans-66-42.7174.3-88.1-84.1000112L94 R97 T98 V99 F100 V149 R153L94-N102 PolarHBondContact N-OD1 3.16Å; L94-N102 PolarHBondContact O-ND2 3.49Å; R97-N102 PolarHBondContact O-ND2 3.42Å; R97-N102 VanDerWaalsContact O-ND2 3.08Å; T98-N102 PolarHBondContact O-N 3.26Å; T98-N102 PolarHBondContact O-ND2 3Å; V99-N102 PolarHBondContact O-N 3.14Å; F100-N102 VanDerWaalsContact C-N 3.3Å; F100-N102 PolarHBondContact O-N 2.94Å; N102-V149 HydrophobicContact CB-CG1 3.92Å; N102-R153 WeakPolarHBondContact O-CD 3.45Å; N102-R153 VanDerWaalsContact O-CG 3.3Å; N102-R153 WeakPolarHBondContact O-CG 3.45Å
103V98Very high96.6Very high0 Ų048.1 Ų48.10%027%0.272CS..Hα-helixtrans-75.8-30.4180-178.50000111.8V99 F100 P106 V121 L124 L125 V149 A152 R153 A156V99-V103 WeakPolarHBondContact O-CG2 3.49Å; V99-V103 PolarHBondContact O-N 3.31Å; V99-V103 VanDerWaalsContact O-N 3.16Å; F100-V103 PolarHBondContact O-N 2.98Å; V103-P106 WeakPolarHBondContact O-CD 3.4Å; V103-V121 HydrophobicContact CB-CG1 3.81Å; V103-V121 HydrophobicContact CB-CG2 4.49Å; V103-V121 HydrophobicContact CG1-CB 4.35Å; V103-V121 HydrophobicContact CG1-CG1 3.8Å; V103-V121 HydrophobicContact CG1-CG2 4.12Å; V103-L124 HydrophobicContact CG1-CB 4.43Å; V103-L124 HydrophobicContact CG1-CD1 4.19Å; V103-L125 HydrophobicContact CG2-CD2 3.97Å; V103-V149 HydrophobicContact CG2-CG1 4.11Å; V103-A152 HydrophobicContact CG1-CB 4.04Å; V103-A152 HydrophobicContact CG2-CB 3.69Å; V103-R153 HydrophobicContact CG2-CB 4.39Å; V103-A156 HydrophobicContact CG1-CB 4.48Å; V103-A156 WeakPolarHBondContact O-CB 3.36Å
104A98.1Very high96.6Very high0 Ų055.3 Ų55.30%030%0.302CS..Hα-helixtrans-70.9-28.317700000113.4F100 L107 E108 I117 V121F100-A104 HydrophobicContact CD1-CB 4.33Å; F100-A104 HydrophobicContact CE1-CB 4.13Å; F100-A104 VanDerWaalsContact O-CB 3.25Å; F100-A104 WeakPolarHBondContact O-CB 3.46Å; F100-A104 PolarHBondContact O-N 3.27Å; A104-L107 WeakPolarHBondContact O-CB 3.43Å; A104-L107 PolarHBondContact O-N 3.41Å; A104-E108 PolarHBondContact O-N 2.88Å; A104-I117 HydrophobicContact CB-CG2 3.69Å; A104-V121 HydrophobicContact CB-CG2 3.98Å
105L97.5Very high96.7Very high45 Ų4558.5 Ų58.524%0.23632%0.319CS..Hα-helixtrans-50.9-48.6-172.1174.470.4000114.2L94 G101 L107 E108 L109L94-L105 HydrophobicContact CD1-CD2 3.76Å; G101-L105 PolarHBondContact O-N 2.77Å; L105-L107 VanDerWaalsContact C-N 3.26Å; L105-L107 PolarHBondContact O-N 3.48Å; L105-E108 PolarHBondContact O-N 2.92Å; L105-L109 HydrophobicContact CD1-CG 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.43Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.25Å; L105-L109 VanDerWaalsContact O-N 3.13Å
106P96.2Very high96.7Very high23 Ų2357.2 Ų57.215%0.14930%0.302CS..Hα-helixtrans-60.9-34.6178.3-23.536000113.3V103 L109 D110 R153 A156 S157V103-P106 WeakPolarHBondContact O-CD 3.4Å; P106-L109 PolarHBondContact O-N 3.42Å; P106-D110 PolarHBondContact O-N 3.29Å; P106-R153 HydrophobicContact CG-CG 3.8Å; P106-A156 HydrophobicContact CB-CB 4.12Å; P106-A156 HydrophobicContact CG-CB 4.06Å; P106-S157 WeakPolarHBondContact CB-OG 3.26Å
107L96.6Very high96.7Very high12 Ų1253.6 Ų53.66%0.06328%0.276CS..Hα-helixtrans-73.2-34.4178.9-59.4173.2000112A104 L105 D110 N111 T112 I117 R120 V121 A156A104-L107 WeakPolarHBondContact O-CB 3.43Å; A104-L107 PolarHBondContact O-N 3.41Å; L105-L107 VanDerWaalsContact C-N 3.26Å; L105-L107 PolarHBondContact O-N 3.48Å; L107-D110 PolarHBondContact O-N 3.07Å; L107-N111 PolarHBondContact O-N 3.09Å; L107-T112 VanDerWaalsContact O-CB 3.23Å; L107-T112 WeakPolarHBondContact O-CB 3.38Å; L107-T112 PolarHBondContact O-N 3.02Å; L107-T112 PolarHBondContact O-OG1 2.94Å; L107-I117 HydrophobicContact CB-CD1 4.32Å; L107-I117 HydrophobicContact CB-CG1 3.85Å; L107-I117 HydrophobicContact CD1-CG1 4.39Å; L107-I117 HydrophobicContact CD1-CG2 4.38Å; L107-R120 HydrophobicContact CD1-CB 4.02Å; L107-R120 HydrophobicContact CD1-CG 3.98Å; L107-V121 HydrophobicContact CD1-CG2 3.95Å; L107-A156 WeakPolarHBondContact CD2-O 3.31Å; L107-A156 HydrophobicContact CG-CB 4.24Å
108E96.4Very high96.7Very high73 Ų7357.1 Ų57.134%0.34129%0.293SS..Hα-helixtrans-64.2-40.9174-68.5173.9178.800111.5R97 A104 L105 D110 N111 I117R97-E108 IonicContact CZ-OE1 3.89Å; R97-E108 IonicContact CZ-OE2 2.92Å; R97-E108 VanDerWaalsContact CZ-OE2 3.26Å; R97-E108 IonicContact NH1-OE1 3.72Å; R97-E108 IonicContact NH1-OE2 2.69Å; R97-E108 PolarHBondContact NH1-OE2 3.28Å; R97-E108 IonicContact NH2-OE1 2.74Å; R97-E108 PolarHBondContact NH2-OE1 2.91Å; R97-E108 IonicContact NH2-OE2 4Å; R97-E108 PolarHBondContact NH2-OE2 3Å; A104-E108 PolarHBondContact O-N 2.88Å; L105-E108 PolarHBondContact O-N 2.92Å; E108-D110 PolarHBondContact O-N 3.45Å; E108-N111 PolarHBondContact O-N 3.27Å; E108-I117 HydrophobicContact CG-CD1 3.89Å
109L93.6Very high96.7Very high114 Ų11461.9 Ų61.960%0.59731%0.307SS*.Hα-helixtrans-64.1-20.9175.1-64.8174.3000112.9R82 L105 P106 N111R82-L109 PolarHBondContact NH2-O 2.94Å; L105-L109 HydrophobicContact CD1-CG 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.43Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.25Å; L105-L109 VanDerWaalsContact O-N 3.13Å; P106-L109 PolarHBondContact O-N 3.42Å; L109-N111 VanDerWaalsContact C-N 3.34Å
110D91Very high96.6Very high44 Ų4463.6 Ų63.624%0.23531%0.314CS..THydrogen-bonded Turntrans-92.62.6177.1-67.51.6000112.4R82 P106 L107 E108 T112R82-D110 VanDerWaalsContact CD-OD1 3.3Å; R82-D110 WeakPolarHBondContact CD-OD1 3.38Å; R82-D110 WeakPolarHBondContact CD-OD2 3.42Å; R82-D110 VanDerWaalsContact CZ-CG 3.41Å; R82-D110 IonicContact CZ-OD1 3.43Å; R82-D110 IonicContact CZ-OD2 2.71Å; R82-D110 IonicContact NE-OD1 2.91Å; R82-D110 PolarHBondContact NE-OD1 3.49Å; R82-D110 IonicContact NE-OD2 3.15Å; R82-D110 IonicContact NH1-OD1 2.69Å; R82-D110 PolarHBondContact NH1-OD1 2.95Å; R82-D110 IonicContact NH1-OD2 2.76Å; R82-D110 IonicContact NH2-OD1 3.34Å; R82-D110 PolarHBondContact NH2-OD1 2.83Å; P106-D110 PolarHBondContact O-N 3.29Å; L107-D110 PolarHBondContact O-N 3.07Å; E108-D110 PolarHBondContact O-N 3.45Å; D110-T112 PolarHBondContact O-N 3.24Å
111N93.3Very high96.6Very high148 Ų14861.6 Ų61.679%0.79131%0.305SS*.THydrogen-bonded Turntrans55.433.4-173.2-57.9-61.8000112.9L107 E108 L109L107-N111 PolarHBondContact O-N 3.09Å; E108-N111 PolarHBondContact O-N 3.27Å; L109-N111 VanDerWaalsContact C-N 3.34Å
112T95.6Very high96.5Very high35 Ų3564.7 Ų64.722%0.21532%0.323CS..  trans-63.1136.7178.6-54.60000110.2L107 D110 E116 I117L107-T112 VanDerWaalsContact O-CB 3.23Å; L107-T112 WeakPolarHBondContact O-CB 3.38Å; L107-T112 PolarHBondContact O-N 3.02Å; L107-T112 PolarHBondContact O-OG1 2.94Å; D110-T112 PolarHBondContact O-N 3.24Å; T112-E116 HydrophobicContact CG2-CB 3.85Å; T112-E116 HydrophobicContact CG2-CG 3.56Å; T112-I117 HydrophobicContact CG2-CG1 3.93Å; T112-I117 VanDerWaalsContact O-CD1 3.26Å; T112-I117 WeakPolarHBondContact O-CD1 3.32Å
113P97.4Very high96.4Very high92 Ų9269 Ų6960%0.59734%0.343SS*.  trans-56.1143.6177.7-26.635.2000113D115 E116 I117P113-D115 VanDerWaalsContact C-N 3.29Å; P113-D115 PolarHBondContact O-N 3.46Å; P113-E116 HydrophobicContact CB-CB 4.43Å; P113-E116 WeakPolarHBondContact O-CB 3.44Å; P113-E116 PolarHBondContact O-N 3.47Å; P113-I117 WeakPolarHBondContact O-CG1 3.42Å; P113-I117 PolarHBondContact O-N 2.86Å
114K97Very high96.3Very high181 Ų18169.3 Ų69.379%0.78735%0.345SS*.Hα-helixtrans-55.1-40.7-174.5-69.8-174.9178.7-1800113.9E116 I117 K118K114-E116 VanDerWaalsContact C-N 3.32Å; K114-I117 PolarHBondContact O-N 3.48Å; K114-K118 PolarHBondContact O-N 3.16Å
115D97.6Very high96.3Very high138 Ų13869.4 Ų69.474%0.73835%0.345SS*.Hα-helixtrans-66.8-37.6179.9-63-34.4000111.6P113 K118 R119P113-D115 VanDerWaalsContact C-N 3.29Å; P113-D115 PolarHBondContact O-N 3.46Å; D115-K118 PolarHBondContact O-N 3.2Å; D115-R119 WeakPolarHBondContact O-CB 3.35Å; D115-R119 PolarHBondContact O-N 3.26Å
116E97.1Very high96.2Very high72 Ų7271.4 Ų71.434%0.33636%0.363SS..Hα-helixtrans-70.1-39.4176.1178.659.8-169.500111.5T112 P113 K114 K118 R119 R120T112-E116 HydrophobicContact CG2-CB 3.85Å; T112-E116 HydrophobicContact CG2-CG 3.56Å; P113-E116 HydrophobicContact CB-CB 4.43Å; P113-E116 WeakPolarHBondContact O-CB 3.44Å; P113-E116 PolarHBondContact O-N 3.47Å; K114-E116 VanDerWaalsContact C-N 3.32Å; E116-K118 PolarHBondContact O-N 3.22Å; E116-R119 VanDerWaalsContact CD-NH2 3.3Å; E116-R119 PolarHBondContact O-N 2.74Å; E116-R119 IonicContact OE1-CZ 3.35Å; E116-R119 IonicContact OE1-NE 3.79Å; E116-R119 IonicContact OE1-NH2 3.41Å; E116-R119 PolarHBondContact OE1-NH2 3.41Å; E116-R119 IonicContact OE2-CZ 3.37Å; E116-R119 IonicContact OE2-NE 2.81Å; E116-R119 PolarHBondContact OE2-NE 3.42Å; E116-R119 IonicContact OE2-NH2 3.61Å; E116-R119 PolarHBondContact OE2-NH2 2.83Å; E116-R120 VanDerWaalsContact O-CB 3.24Å; E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 2.78Å
117I97.3Very high96.1Very high13 Ų1372.6 Ų72.67%0.06737%0.368CS..Hα-helixtrans-56.6-51.5171-65.1177000109.8F100 A104 L107 E108 T112 P113 K114 R119 R120 V121F100-I117 HydrophobicContact CZ-CG2 4.13Å; A104-I117 HydrophobicContact CB-CG2 3.69Å; L107-I117 HydrophobicContact CB-CD1 4.32Å; L107-I117 HydrophobicContact CB-CG1 3.85Å; L107-I117 HydrophobicContact CD1-CG1 4.39Å; L107-I117 HydrophobicContact CD1-CG2 4.38Å; E108-I117 HydrophobicContact CG-CD1 3.89Å; T112-I117 HydrophobicContact CG2-CG1 3.93Å; T112-I117 VanDerWaalsContact O-CD1 3.26Å; T112-I117 WeakPolarHBondContact O-CD1 3.32Å; P113-I117 WeakPolarHBondContact O-CG1 3.42Å; P113-I117 PolarHBondContact O-N 2.86Å; K114-I117 PolarHBondContact O-N 3.48Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 2.94Å; I117-R120 PolarHBondContact O-N 3.3Å; I117-V121 HydrophobicContact CG2-CG2 3.97Å; I117-V121 WeakPolarHBondContact O-CB 3.48Å; I117-V121 WeakPolarHBondContact O-CG2 3.23Å; I117-V121 PolarHBondContact O-N 3.48Å
118K97.4Very high96Very high136 Ų13672 Ų7259%0.59137%0.365SS*.Hα-helixtrans-58.2-47.5-179-173.8179.1179.3-178.80111.3K114 D115 E116 T122K114-K118 PolarHBondContact O-N 3.16Å; D115-K118 PolarHBondContact O-N 3.2Å; E116-K118 PolarHBondContact O-N 3.22Å; K118-T122 VanDerWaalsContact O-CB 3.28Å; K118-T122 WeakPolarHBondContact O-CB 3.47Å; K118-T122 PolarHBondContact O-N 2.93Å; K118-T122 VanDerWaalsContact O-N 3.08Å; K118-T122 PolarHBondContact O-OG1 2.89Å
119R97.5Very high95.9Very high126 Ų12670.8 Ų70.848%0.47537%0.372SS..Hα-helixtrans-60.5-53.5178.7-170.4-168.969.373.6-1.9111.3D115 E116 I117 T122 E123D115-R119 WeakPolarHBondContact O-CB 3.35Å; D115-R119 PolarHBondContact O-N 3.26Å; E116-R119 VanDerWaalsContact CD-NH2 3.3Å; E116-R119 PolarHBondContact O-N 2.74Å; E116-R119 IonicContact OE1-CZ 3.35Å; E116-R119 IonicContact OE1-NE 3.79Å; E116-R119 IonicContact OE1-NH2 3.41Å; E116-R119 PolarHBondContact OE1-NH2 3.41Å; E116-R119 IonicContact OE2-CZ 3.37Å; E116-R119 IonicContact OE2-NE 2.81Å; E116-R119 PolarHBondContact OE2-NE 3.42Å; E116-R119 IonicContact OE2-NH2 3.61Å; E116-R119 PolarHBondContact OE2-NH2 2.83Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 2.94Å; R119-T122 PolarHBondContact O-N 3.1Å; R119-E123 IonicContact NH1-OE2 3.49Å; R119-E123 PolarHBondContact NH1-OE2 3.17Å; R119-E123 PolarHBondContact O-N 2.82Å
120R96.1Very high96Very high37 Ų3765.6 Ų65.614%0.1435%0.345CS..Hα-helixtrans-65.6-44.3-175-174.858.6173-179.3-2.2112.4L107 E116 I117 T122 E123 L124 N158L107-R120 HydrophobicContact CD1-CB 4.02Å; L107-R120 HydrophobicContact CD1-CG 3.98Å; E116-R120 VanDerWaalsContact O-CB 3.24Å; E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 2.78Å; I117-R120 PolarHBondContact O-N 3.3Å; R120-T122 VanDerWaalsContact C-N 3.35Å; R120-E123 IonicContact NH1-OE1 2.85Å; R120-E123 IonicContact NH1-OE2 3.59Å; R120-E123 PolarHBondContact NH1-OE2 2.67Å; R120-E123 PolarHBondContact O-N 3.12Å; R120-L124 HydrophobicContact CG-CD1 4.01Å; R120-L124 VanDerWaalsContact O-CG 3.26Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.27Å; R120-N158 PolarHBondContact NH2-OD1 3.32Å; R120-N158 VanDerWaalsContact NH2-OD1 3.1Å
121V97.8Very high96.1Very high0 Ų065.7 Ų65.70%036%0.357CS..Hα-helixtrans-65.1-41.8178177.80000110.4F100 V103 A104 L107 I117 E123 L124 L125F100-V121 HydrophobicContact CB-CG1 4.45Å; F100-V121 HydrophobicContact CD2-CB 3.73Å; F100-V121 HydrophobicContact CD2-CG1 3.17Å; F100-V121 HydrophobicContact CD2-CG2 4.47Å; F100-V121 HydrophobicContact CE2-CB 3.52Å; F100-V121 HydrophobicContact CE2-CG1 3.56Å; F100-V121 HydrophobicContact CE2-CG2 4.15Å; F100-V121 HydrophobicContact CG-CG1 3.95Å; F100-V121 HydrophobicContact CZ-CB 4.3Å; F100-V121 HydrophobicContact CZ-CG2 4.47Å; V103-V121 HydrophobicContact CB-CG1 3.81Å; V103-V121 HydrophobicContact CB-CG2 4.49Å; V103-V121 HydrophobicContact CG1-CB 4.35Å; V103-V121 HydrophobicContact CG1-CG1 3.8Å; V103-V121 HydrophobicContact CG1-CG2 4.12Å; A104-V121 HydrophobicContact CB-CG2 3.98Å; L107-V121 HydrophobicContact CD1-CG2 3.95Å; I117-V121 HydrophobicContact CG2-CG2 3.97Å; I117-V121 WeakPolarHBondContact O-CB 3.48Å; I117-V121 WeakPolarHBondContact O-CG2 3.23Å; I117-V121 PolarHBondContact O-N 3.48Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-E123 PolarHBondContact O-N 3.42Å; V121-L124 PolarHBondContact O-N 3.4Å; V121-L125 HydrophobicContact CG1-CD1 3.92Å; V121-L125 HydrophobicContact CG1-CG 4.05Å; V121-L125 WeakPolarHBondContact O-CB 3.31Å; V121-L125 VanDerWaalsContact O-CG 3.27Å; V121-L125 WeakPolarHBondContact O-CG 3.38Å; V121-L125 PolarHBondContact O-N 2.92Å
122T97.3Very high96.1Very high70 Ų7064.5 Ų64.543%0.42935%0.35SS..Hα-helixtrans-61.1-43.8177.5-56.30000111.7K118 R119 R120 L125 S126K118-T122 VanDerWaalsContact O-CB 3.28Å; K118-T122 WeakPolarHBondContact O-CB 3.47Å; K118-T122 PolarHBondContact O-N 2.93Å; K118-T122 VanDerWaalsContact O-N 3.08Å; K118-T122 PolarHBondContact O-OG1 2.89Å; R119-T122 PolarHBondContact O-N 3.1Å; R120-T122 VanDerWaalsContact C-N 3.35Å; T122-L125 PolarHBondContact O-N 3.32Å; T122-S126 PolarHBondContact O-N 2.96Å
123E95.9Very high96.1Very high89 Ų8966 Ų6642%0.41635%0.353SS..Hα-helixtrans-58.2-48.2174.8-175.1-170.3168.700111.5R119 R120 V121 S126 L127R119-E123 IonicContact NH1-OE2 3.49Å; R119-E123 PolarHBondContact NH1-OE2 3.17Å; R119-E123 PolarHBondContact O-N 2.82Å; R120-E123 IonicContact NH1-OE1 2.85Å; R120-E123 IonicContact NH1-OE2 3.59Å; R120-E123 PolarHBondContact NH1-OE2 2.67Å; R120-E123 PolarHBondContact O-N 3.12Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-E123 PolarHBondContact O-N 3.42Å; E123-S126 WeakPolarHBondContact O-CB 3.35Å; E123-S126 PolarHBondContact O-N 3.19Å; E123-L127 PolarHBondContact O-N 3.14Å
124L96.2Very high96Very high7 Ų764 Ų644%0.03734%0.336CS..Hα-helixtrans-65.9-40.9-179.9-70.2167.1000112.5V103 R120 V121 S126 L127 V128 A152 L155 A156V103-L124 HydrophobicContact CG1-CB 4.43Å; V103-L124 HydrophobicContact CG1-CD1 4.19Å; R120-L124 HydrophobicContact CG-CD1 4.01Å; R120-L124 VanDerWaalsContact O-CG 3.26Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.27Å; V121-L124 PolarHBondContact O-N 3.4Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.85Å; L124-L127 PolarHBondContact O-N 3.19Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 2.61Å; L124-A152 HydrophobicContact CB-CB 4.3Å; L124-L155 HydrophobicContact CD2-CB 3.85Å; L124-A156 HydrophobicContact CD1-CB 4.2Å
125L97.1Very high95.9Very high2 Ų261 Ų611%0.0133%0.329CS..Hα-helixtrans-64.3-37.6175.6-69.7-178000111.6V99 V103 V121 T122 G129 L130 G131 H134 A152V99-L125 HydrophobicContact CG1-CD1 4.05Å; V99-L125 HydrophobicContact CG1-CD2 3.36Å; V99-L125 HydrophobicContact CG1-CG 4.37Å; V103-L125 HydrophobicContact CG2-CD2 3.97Å; V121-L125 HydrophobicContact CG1-CD1 3.92Å; V121-L125 HydrophobicContact CG1-CG 4.05Å; V121-L125 WeakPolarHBondContact O-CB 3.31Å; V121-L125 VanDerWaalsContact O-CG 3.27Å; V121-L125 WeakPolarHBondContact O-CG 3.38Å; V121-L125 PolarHBondContact O-N 2.92Å; T122-L125 PolarHBondContact O-N 3.32Å; L125-G129 PolarHBondContact O-N 3.4Å; L125-G129 VanDerWaalsContact O-N 3.16Å; L125-L130 HydrophobicContact CD2-CB 4.39Å; L125-L130 CarbonylContact O-C 3.55Å; L125-L130 PolarHBondContact O-N 3.1Å; L125-G131 PolarHBondContact O-N 2.88Å; L125-H134 HydrophobicContact CD1-CB 4.27Å; L125-A152 HydrophobicContact CD2-CB 4.43Å
126S95.5Very high95.9Very high88 Ų8855.9 Ų55.962%0.61530%0.304SS*.Hα-helixtrans-63.8-44.1171.9-170.30000111.4T122 E123 L124 V128 G129T122-S126 PolarHBondContact O-N 2.96Å; E123-S126 WeakPolarHBondContact O-CB 3.35Å; E123-S126 PolarHBondContact O-N 3.19Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.85Å; S126-V128 VanDerWaalsContact C-N 3.35Å; S126-V128 PolarHBondContact O-N 3.29Å; S126-G129 PolarHBondContact O-N 2.91Å; S126-G129 VanDerWaalsContact O-N 3.09Å
127L93.5Very high96Very high48 Ų4857.6 Ų57.625%0.25131%0.308SS..Hα-helixtrans-62.3-40.2-179.8-177.9141.3000112.2E123 L124 G129 L155 L182 I186E123-L127 PolarHBondContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 3.19Å; L127-G129 VanDerWaalsContact C-N 3.27Å; L127-G129 PolarHBondContact O-N 3.42Å; L127-L155 HydrophobicContact CD2-CD1 4.42Å; L127-L182 HydrophobicContact CD2-CD1 4.33Å; L127-I186 HydrophobicContact CD2-CD1 4.08Å; L127-I186 HydrophobicContact CD2-CG1 3.74Å
128V95Very high95.9Very high0 Ų057.6 Ų57.60%031%0.309CS..THydrogen-bonded Turntrans-85.55.4176.3-54.40000113.5L124 S126 L130 R148 I151 A152 L182L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 2.61Å; S126-V128 VanDerWaalsContact C-N 3.35Å; S126-V128 PolarHBondContact O-N 3.29Å; V128-L130 HydrophobicContact CG2-CB 4.11Å; V128-L130 HydrophobicContact CG2-CD1 4.15Å; V128-L130 HydrophobicContact CG2-CG 4.07Å; V128-R148 HydrophobicContact CB-CB 4.08Å; V128-R148 HydrophobicContact CB-CG 4.43Å; V128-R148 HydrophobicContact CG2-CB 4.2Å; V128-R148 VanDerWaalsContact O-CD 3.31Å; V128-R148 WeakPolarHBondContact O-CD 3.46Å; V128-R148 PolarHBondContact O-NH1 3.04Å; V128-I151 HydrophobicContact CG1-CB 4.48Å; V128-I151 HydrophobicContact CG1-CG2 4.1Å; V128-A152 HydrophobicContact CG1-CB 3.9Å; V128-A152 HydrophobicContact CG2-CB 3.89Å; V128-L182 HydrophobicContact CB-CD2 4.19Å; V128-L182 HydrophobicContact CG1-CD2 4.2Å
129G94.7Very high95.8Very high47 Ų4755.6 Ų55.649%0.48531%0.312SS..THydrogen-bonded Turntrans68.133.7177.300000114.8L125 S126 L127L125-G129 PolarHBondContact O-N 3.4Å; L125-G129 VanDerWaalsContact O-N 3.16Å; S126-G129 PolarHBondContact O-N 2.91Å; S126-G129 VanDerWaalsContact O-N 3.09Å; L127-G129 VanDerWaalsContact C-N 3.27Å; L127-G129 PolarHBondContact O-N 3.42Å
130L95.7Very high95.7Very high4 Ų455.4 Ų55.42%0.02132%0.32CS..  trans-122.724.9178.3-66.2-176.5000113.1L125 V128 D132 K133 Q145 R148 V149L125-L130 HydrophobicContact CD2-CB 4.39Å; L125-L130 CarbonylContact O-C 3.55Å; L125-L130 PolarHBondContact O-N 3.1Å; V128-L130 HydrophobicContact CG2-CB 4.11Å; V128-L130 HydrophobicContact CG2-CD1 4.15Å; V128-L130 HydrophobicContact CG2-CG 4.07Å; L130-D132 PolarHBondContact O-N 3.05Å; L130-K133 HydrophobicContact CB-CB 4.43Å; L130-K133 HydrophobicContact CD2-CB 4.48Å; L130-K133 HydrophobicContact CD2-CG 4.26Å; L130-K133 PolarHBondContact O-N 3.13Å; L130-Q145 WeakPolarHBondContact CD1-O 3.19Å; L130-Q145 HydrophobicContact CD2-CB 4.22Å; L130-Q145 HydrophobicContact CD2-CG 3.95Å; L130-R148 HydrophobicContact CD1-CB 3.55Å; L130-R148 HydrophobicContact CG-CB 3.99Å; L130-V149 HydrophobicContact CD1-CG2 3.52Å
131G93Very high95.7Very high47 Ų4754.2 Ų54.249%0.48532%0.317SS..G310 helixtrans-57.2-35.2-17900000113.6L125 K133L125-G131 PolarHBondContact O-N 2.88Å; G131-K133 VanDerWaalsContact C-N 3.34Å
132D94.5Very high95.5Very high122 Ų12257.2 Ų57.265%0.65234%0.338SS*.G310 helixtrans-79.6-12.5178.570.1-49.5000113.9L130L130-D132 PolarHBondContact O-N 3.05Å
133K95.1Very high95.3Very high66 Ų6655.1 Ų55.129%0.28733%0.33SS..G310 helixtrans-102.110.8-177.6-60.2-55.3-179.4-165.80113.8V99 L130 G131 D135 S136 L141V99-K133 VanDerWaalsContact CB-O 3.31Å; V99-K133 WeakPolarHBondContact CB-O 3.43Å; V99-K133 VanDerWaalsContact CG2-O 3.29Å; V99-K133 WeakPolarHBondContact CG2-O 3.41Å; L130-K133 HydrophobicContact CB-CB 4.43Å; L130-K133 HydrophobicContact CD2-CB 4.48Å; L130-K133 HydrophobicContact CD2-CG 4.26Å; L130-K133 PolarHBondContact O-N 3.13Å; G131-K133 VanDerWaalsContact C-N 3.34Å; K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 3.16Å; K133-D135 VanDerWaalsContact O-N 3.11Å; K133-S136 WeakPolarHBondContact O-CB 3.22Å; K133-S136 PolarHBondContact O-N 3.25Å; K133-L141 HydrophobicContact CB-CD2 4.44Å; K133-L141 HydrophobicContact CG-CD2 4.49Å
134H94.2Very high95.2Very high50 Ų5051.2 Ų51.223%0.23131%0.313CS..THydrogen-bonded Turntrans-43.4-47.3-177.8-178.6-77.9000114.3F100 L125F100-H134 VanDerWaalsContact CB-CE1 3.42Å; F100-H134 WeakPolarHBondContact CB-CE1 3.39Å; F100-H134 WeakPolarHBondContact CB-O 3.4Å; F100-H134 AromaticContact CD2-CD2 3.45Å; F100-H134 VanDerWaalsContact CD2-CD2 3.45Å; F100-H134 WeakPolarHBondContact CD2-CD2 3.27Å; F100-H134 AromaticContact CD2-CE1 3.43Å; F100-H134 VanDerWaalsContact CD2-CE1 3.43Å; F100-H134 WeakPolarHBondContact CD2-CE1 3.46Å; F100-H134 AromaticContact CD2-NE2 2.8Å; F100-H134 WeakPolarHBondContact CD2-NE2 3.38Å; F100-H134 AromaticContact CE2-NE2 3.4Å; F100-H134 WeakPolarHBondContact CE2-NE2 3.31Å; F100-H134 AromaticContact CG-CD2 3.98Å; F100-H134 AromaticContact CG-CE1 3.39Å; F100-H134 WeakPolarHBondContact CG-CE1 3.49Å; F100-H134 AromaticContact CG-NE2 3.31Å; F100-H134 VanDerWaalsContact CG-NE2 3.31Å; F100-H134 WeakPolarHBondContact CG-NE2 3.48Å; F100-H134 PolarHBondContact N-O 2.97Å; L125-H134 HydrophobicContact CD1-CB 4.27Å
135D96.4Very high95.2Very high119 Ų11953.5 Ų53.564%0.63632%0.324SS*.THydrogen-bonded Turntrans-95.21.2-175.3-58.4-42.8000114T98 K133T98-D135 WeakPolarHBondContact CG2-O 3.3Å; K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 3.16Å; K133-D135 VanDerWaalsContact O-N 3.11Å
136S97.3Very high95.1Very high31 Ų3156 Ų5622%0.21734%0.335CS..  trans-73.5147.9178.5-63.60000111.2T98 V99 K133T98-S136 CarbonylContact C-O 3.6Å; T98-S136 VanDerWaalsContact CA-O 3.25Å; T98-S136 WeakPolarHBondContact CA-O 3.43Å; V99-S136 WeakPolarHBondContact CG2-O 3.36Å; V99-S136 PolarHBondContact N-O 3.37Å; K133-S136 WeakPolarHBondContact O-CB 3.22Å; K133-S136 PolarHBondContact O-N 3.25Å
137Y97.8Very high95.1Very high108 Ų10851.9 Ų51.942%0.42431%0.306SS..  trans-91.4152.9172.2-77.4-93.2000111.3S95 T98 S139 N140S95-Y137 WeakPolarHBondContact O-CD1 3.35Å; T98-Y137 HydrophobicContact CG2-CD2 4.2Å; T98-Y137 HydrophobicContact CG2-CE1 4.23Å; T98-Y137 HydrophobicContact CG2-CE2 3.75Å; Y137-S139 PolarHBondContact O-N 2.96Å; Y137-N140 PolarHBondContact O-N 3.35Å
138P96.2Very high95.3Very high12 Ų1252.1 Ų52.18%0.07830%0.304CS..G310 helixtrans-53.1-31179.6-29.635.5000114.7L93 R97 N140 L141 K146L93-P138 HydrophobicContact CB-CB 4.24Å; L93-P138 HydrophobicContact CB-CG 3.96Å; L93-P138 HydrophobicContact CD1-CB 4.24Å; L93-P138 HydrophobicContact CD1-CG 4.29Å; R97-P138 WeakPolarHBondContact O-CD 3.42Å; P138-N140 PolarHBondContact O-N 3.17Å; P138-N140 VanDerWaalsContact O-N 3.16Å; P138-L141 PolarHBondContact O-N 2.94Å; P138-K146 WeakPolarHBondContact O-CE 3.45Å; P138-K146 PolarHBondContact O-NZ 3.19Å
139S95.8Very high95.4Very high94 Ų9452.2 Ų52.266%0.65730%0.304SS*.G310 helixtrans-58-27176.956.20000113.6Y137Y137-S139 PolarHBondContact O-N 2.96Å
140N95.6Very high95.5Very high123 Ų12350 Ų5066%0.65828%0.282SS*.G310 helixtrans-100.29.2-172.7-57.5-8.8000112.6Y137 P138Y137-N140 PolarHBondContact O-N 3.35Å; P138-N140 PolarHBondContact O-N 3.17Å; P138-N140 VanDerWaalsContact O-N 3.16Å
141L95.3Very high95.5Very high11 Ų1149.9 Ų49.96%0.05828%0.281CS..SBendtrans-109144-175.2-60.5-179.7000111.7V99 K133 P138 Q145 K146 V149V99-L141 HydrophobicContact CG2-CD1 3.59Å; V99-L141 HydrophobicContact CG2-CD2 4.48Å; K133-L141 HydrophobicContact CB-CD2 4.44Å; K133-L141 HydrophobicContact CG-CD2 4.49Å; P138-L141 PolarHBondContact O-N 2.94Å; L141-Q145 HydrophobicContact CB-CB 3.93Å; L141-Q145 HydrophobicContact CD2-CB 4.26Å; L141-Q145 HydrophobicContact CG-CB 4.48Å; L141-K146 HydrophobicContact CB-CG 3.76Å; L141-K146 HydrophobicContact CD1-CG 4.41Å; L141-K146 WeakPolarHBondContact O-CE 3.33Å; L141-K146 PolarHBondContact O-NZ 3.42Å; L141-V149 HydrophobicContact CD1-CG2 3.89Å
142S94.1Very high95.7Very high63 Ų6347.6 Ų47.644%0.44126%0.257SS..  trans-66.5164.9168.276.90000111.5G144 Q145 K146S142-G144 VanDerWaalsContact C-N 3.34Å; S142-G144 PolarHBondContact O-N 2.91Å; S142-Q145 PolarHBondContact O-N 2.98Å; S142-Q145 WeakPolarHBondContact OG-CG 3.33Å; S142-Q145 PolarHBondContact OG-N 2.89Å; S142-K146 WeakPolarHBondContact O-CG 3.33Å; S142-K146 PolarHBondContact O-N 2.79Å
143G92.7Very high95.9Very high27 Ų2743.2 Ų43.228%0.27823%0.232SC..Hα-helixtrans-55.5-47.1177.200000112.7F91 Q145 K146 Q147 L171F91-G143 WeakPolarHBondContact CE1-O 3.45Å; F91-G143 WeakPolarHBondContact CZ-O 3.32Å; G143-Q145 VanDerWaalsContact C-N 3.35Å; G143-Q145 PolarHBondContact O-N 2.81Å; G143-K146 PolarHBondContact O-N 3.03Å; G143-Q147 PolarHBondContact O-N 3.15Å; G143-L171 VanDerWaalsContact C-CD2 3.43Å
144G93.4Very high96Very high6 Ų640.6 Ų40.66%0.06222%0.223CC..Hα-helixtrans-63.3-37.2176.900000113.8S142 Q147 R148S142-G144 VanDerWaalsContact C-N 3.34Å; S142-G144 PolarHBondContact O-N 2.91Å; G144-Q147 WeakPolarHBondContact O-CB 3.3Å; G144-Q147 PolarHBondContact O-N 2.9Å; G144-R148 WeakPolarHBondContact O-CG 3.18Å; G144-R148 PolarHBondContact O-N 2.82Å
145Q95.7Very high96.1Very high55 Ų5538.4 Ų38.426%0.25721%0.213SC..Hα-helixtrans-66.3-45.8174.7-71.9169.8-19.100110.9L130 L141 S142 G143 Q147 R148 V149L130-Q145 WeakPolarHBondContact CD1-O 3.19Å; L130-Q145 HydrophobicContact CD2-CB 4.22Å; L130-Q145 HydrophobicContact CD2-CG 3.95Å; L141-Q145 HydrophobicContact CB-CB 3.93Å; L141-Q145 HydrophobicContact CD2-CB 4.26Å; L141-Q145 HydrophobicContact CG-CB 4.48Å; S142-Q145 PolarHBondContact O-N 2.98Å; S142-Q145 WeakPolarHBondContact OG-CG 3.33Å; S142-Q145 PolarHBondContact OG-N 2.89Å; G143-Q145 VanDerWaalsContact C-N 3.35Å; G143-Q145 PolarHBondContact O-N 2.81Å; Q145-Q147 PolarHBondContact O-N 2.8Å; Q145-R148 WeakPolarHBondContact O-CB 3.36Å; Q145-R148 PolarHBondContact O-N 2.95Å; Q145-R148 VanDerWaalsContact O-N 3.14Å; Q145-V149 WeakPolarHBondContact O-CG2 3.08Å; Q145-V149 PolarHBondContact O-N 2.89Å
146K96Very high96.1Very high54 Ų5432.9 Ų32.924%0.23518%0.183CC..Hα-helixtrans-57.6-39.9174.4-68.8170.7176.9162.30111.6F91 L93 P138 L141 S142 G143 V149 A150F91-K146 HydrophobicContact CB-CB 4.09Å; F91-K146 HydrophobicContact CD1-CB 3.66Å; F91-K146 HydrophobicContact CD2-CB 3.71Å; F91-K146 HydrophobicContact CD2-CD 3.54Å; F91-K146 HydrophobicContact CD2-CG 4.24Å; F91-K146 HydrophobicContact CE1-CB 3.99Å; F91-K146 HydrophobicContact CE2-CB 4.01Å; F91-K146 HydrophobicContact CE2-CD 3.66Å; F91-K146 HydrophobicContact CE2-CG 4.49Å; F91-K146 HydrophobicContact CG-CB 3.52Å; F91-K146 HydrophobicContact CG-CD 4.23Å; F91-K146 HydrophobicContact CG-CG 4.46Å; F91-K146 HydrophobicContact CZ-CB 4.15Å; F91-K146 HydrophobicContact CZ-CD 4.45Å; L93-K146 HydrophobicContact CD1-CB 3.86Å; L93-K146 HydrophobicContact CD1-CG 4.07Å; P138-K146 WeakPolarHBondContact O-CE 3.45Å; P138-K146 PolarHBondContact O-NZ 3.19Å; L141-K146 HydrophobicContact CB-CG 3.76Å; L141-K146 HydrophobicContact CD1-CG 4.41Å; L141-K146 WeakPolarHBondContact O-CE 3.33Å; L141-K146 PolarHBondContact O-NZ 3.42Å; S142-K146 WeakPolarHBondContact O-CG 3.33Å; S142-K146 PolarHBondContact O-N 2.79Å; G143-K146 PolarHBondContact O-N 3.03Å; K146-V149 WeakPolarHBondContact O-CB 3.35Å; K146-V149 PolarHBondContact O-N 2.86Å; K146-A150 PolarHBondContact O-N 3.47Å
147Q95.7Very high95.9Very high2 Ų232.6 Ų32.61%0.00918%0.181CC..Hα-helixtrans-63.4-44.3176.3-164.16312.400112.2F91 G143 G144 Q145 V149 A150 I151 A167 L171 I179F91-Q147 HydrophobicContact CD1-CB 4.28Å; F91-Q147 HydrophobicContact CE1-CB 4.03Å; F91-Q147 VanDerWaalsContact CE1-OE1 3.27Å; G143-Q147 PolarHBondContact O-N 3.15Å; G144-Q147 WeakPolarHBondContact O-CB 3.3Å; G144-Q147 PolarHBondContact O-N 2.9Å; Q145-Q147 PolarHBondContact O-N 2.8Å; Q147-V149 VanDerWaalsContact C-N 3.3Å; Q147-V149 PolarHBondContact O-N 2.96Å; Q147-A150 WeakPolarHBondContact O-CB 3.34Å; Q147-A150 PolarHBondContact O-N 2.95Å; Q147-A150 VanDerWaalsContact O-N 3.09Å; Q147-I151 HydrophobicContact CG-CD1 4.36Å; Q147-I151 WeakPolarHBondContact O-CG1 3.46Å; Q147-I151 PolarHBondContact O-N 3Å; Q147-A167 PolarHBondContact NE2-O 2.8Å; Q147-L171 HydrophobicContact CB-CD1 4.23Å; Q147-L171 HydrophobicContact CG-CD1 4.14Å; Q147-I179 HydrophobicContact CB-CD1 4.09Å; Q147-I179 HydrophobicContact CG-CD1 4.13Å; Q147-I179 HydrophobicContact CG-CG1 4.3Å; Q147-I179 HydrophobicContact CG-CG2 4.13Å
148R96.2Very high95.7Very high54 Ų5432.1 Ų32.120%0.20419%0.186CC..Hα-helixtrans-59.4-38.5174-76.4166.8-179.9-96.50.4112.3V128 L130 G144 Q145 I151 A152 S178 I179 L182V128-R148 HydrophobicContact CB-CB 4.08Å; V128-R148 HydrophobicContact CB-CG 4.43Å; V128-R148 HydrophobicContact CG2-CB 4.2Å; V128-R148 VanDerWaalsContact O-CD 3.31Å; V128-R148 WeakPolarHBondContact O-CD 3.46Å; V128-R148 PolarHBondContact O-NH1 3.04Å; L130-R148 HydrophobicContact CD1-CB 3.55Å; L130-R148 HydrophobicContact CG-CB 3.99Å; G144-R148 WeakPolarHBondContact O-CG 3.18Å; G144-R148 PolarHBondContact O-N 2.82Å; Q145-R148 WeakPolarHBondContact O-CB 3.36Å; Q145-R148 PolarHBondContact O-N 2.95Å; Q145-R148 VanDerWaalsContact O-N 3.14Å; R148-I151 PolarHBondContact O-N 2.85Å; R148-A152 WeakPolarHBondContact O-CB 3.12Å; R148-A152 PolarHBondContact O-N 2.81Å; R148-S178 PolarHBondContact NH2-OG 2.86Å; R148-I179 HydrophobicContact CG-CD1 3.68Å; R148-L182 HydrophobicContact CG-CD2 3.97Å
149V97.5Very high95.7Very high1 Ų132 Ų321%0.00619%0.185CC..Hα-helixtrans-63-44.2172.3-177.70000111.1L93 V99 N102 V103 L130 L141 Q145 K146 Q147 I151 A152 R153L93-V149 HydrophobicContact CD1-CB 3.96Å; L93-V149 HydrophobicContact CD1-CG1 4.04Å; L93-V149 HydrophobicContact CD2-CB 4.17Å; L93-V149 HydrophobicContact CD2-CG1 3.75Å; V99-V149 HydrophobicContact CB-CG2 4.33Å; V99-V149 HydrophobicContact CG1-CG1 4.42Å; V99-V149 HydrophobicContact CG1-CG2 3.88Å; V99-V149 HydrophobicContact CG2-CG2 3.76Å; N102-V149 HydrophobicContact CB-CG1 3.92Å; V103-V149 HydrophobicContact CG2-CG1 4.11Å; L130-V149 HydrophobicContact CD1-CG2 3.52Å; L141-V149 HydrophobicContact CD1-CG2 3.89Å; Q145-V149 WeakPolarHBondContact O-CG2 3.08Å; Q145-V149 PolarHBondContact O-N 2.89Å; K146-V149 WeakPolarHBondContact O-CB 3.35Å; K146-V149 PolarHBondContact O-N 2.86Å; Q147-V149 VanDerWaalsContact C-N 3.3Å; Q147-V149 PolarHBondContact O-N 2.96Å; V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 PolarHBondContact O-N 3.44Å; V149-A152 PolarHBondContact O-N 3.16Å; V149-R153 WeakPolarHBondContact O-CB 3.39Å; V149-R153 PolarHBondContact O-N 3.19Å
150A97.1Very high95.7Very high2 Ų231.7 Ų31.72%0.01717%0.172CC..Hα-helixtrans-62.7-40.6178.100000111.9L93 K146 Q147 R153 A154L93-A150 HydrophobicContact CD2-CB 4.29Å; K146-A150 PolarHBondContact O-N 3.47Å; Q147-A150 WeakPolarHBondContact O-CB 3.34Å; Q147-A150 PolarHBondContact O-N 2.95Å; Q147-A150 VanDerWaalsContact O-N 3.09Å; A150-R153 PolarHBondContact O-N 3.17Å; A150-A154 WeakPolarHBondContact O-CB 3.31Å; A150-A154 PolarHBondContact O-N 3.14Å
151I96.6Very high95.9Very high0 Ų025.9 Ų25.90%014%0.141CC..Hα-helixtrans-61-52.8173.1-67.1162.4000110.3I87 V128 Q147 R148 V149 R153 A154 L155 I179 L182 L183 I186I87-I151 HydrophobicContact CD1-CB 4.32Å; I87-I151 HydrophobicContact CD1-CG1 3.53Å; I87-I151 HydrophobicContact CG1-CG1 4.37Å; V128-I151 HydrophobicContact CG1-CB 4.48Å; V128-I151 HydrophobicContact CG1-CG2 4.1Å; Q147-I151 HydrophobicContact CG-CD1 4.36Å; Q147-I151 WeakPolarHBondContact O-CG1 3.46Å; Q147-I151 PolarHBondContact O-N 3Å; R148-I151 PolarHBondContact O-N 2.85Å; V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 PolarHBondContact O-N 3.44Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.31Å; I151-A154 PolarHBondContact O-N 3.39Å; I151-L155 HydrophobicContact CG2-CD1 3.96Å; I151-L155 HydrophobicContact CG2-CG 4.46Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.08Å; I151-I179 HydrophobicContact CD1-CD1 4.29Å; I151-I179 HydrophobicContact CD1-CG2 4Å; I151-L182 HydrophobicContact CD1-CD2 3.9Å; I151-L183 HydrophobicContact CD1-CD2 4.37Å; I151-L183 HydrophobicContact CG1-CD2 4.46Å; I151-I186 HydrophobicContact CG2-CD1 3.66Å
152A97.2Very high96Very high0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-57-42.1179.300000111.9V103 L124 L125 V128 R148 V149 L155 A156V103-A152 HydrophobicContact CG1-CB 4.04Å; V103-A152 HydrophobicContact CG2-CB 3.69Å; L124-A152 HydrophobicContact CB-CB 4.3Å; L125-A152 HydrophobicContact CD2-CB 4.43Å; V128-A152 HydrophobicContact CG1-CB 3.9Å; V128-A152 HydrophobicContact CG2-CB 3.89Å; R148-A152 WeakPolarHBondContact O-CB 3.12Å; R148-A152 PolarHBondContact O-N 2.81Å; V149-A152 PolarHBondContact O-N 3.16Å; A152-L155 PolarHBondContact O-N 3.18Å; A152-A156 PolarHBondContact O-N 3.26Å; A152-A156 VanDerWaalsContact O-N 3.14Å
153R97.5Very high96.2Very high29 Ų2922.3 Ų22.311%0.10912%0.117CC..Hα-helixtrans-63.4-43.5175.1-179.1-178.964.3-170-2.5112.2F91 N92 N102 V103 P106 V149 A150 I151 L155 A156F91-R153 PolarHBondContact O-NH2 3.07Å; N92-R153 PolarHBondContact O-NH1 3.4Å; N92-R153 PolarHBondContact O-NH2 3.31Å; N92-R153 VanDerWaalsContact O-NH2 3.16Å; N102-R153 WeakPolarHBondContact O-CD 3.45Å; N102-R153 VanDerWaalsContact O-CG 3.3Å; N102-R153 WeakPolarHBondContact O-CG 3.45Å; V103-R153 HydrophobicContact CG2-CB 4.39Å; P106-R153 HydrophobicContact CG-CG 3.8Å; V149-R153 WeakPolarHBondContact O-CB 3.39Å; V149-R153 PolarHBondContact O-N 3.19Å; A150-R153 PolarHBondContact O-N 3.17Å; I151-R153 VanDerWaalsContact C-N 3.27Å; I151-R153 PolarHBondContact O-N 3.31Å; R153-L155 PolarHBondContact O-N 2.93Å; R153-A156 VanDerWaalsContact O-CB 3.22Å; R153-A156 WeakPolarHBondContact O-CB 3.42Å; R153-A156 PolarHBondContact O-N 2.94Å
154A96.8Very high96.4Very high12 Ų1221.1 Ų21.110%0.09911%0.105CC..Hα-helixtrans-63.3-30.8178.500000112.1I87 A150 I151 P159 L162I87-A154 HydrophobicContact CG1-CB 3.96Å; A150-A154 WeakPolarHBondContact O-CB 3.31Å; A150-A154 PolarHBondContact O-N 3.14Å; I151-A154 PolarHBondContact O-N 3.39Å; A154-P159 WeakPolarHBondContact O-CG 3.41Å; A154-L162 HydrophobicContact CB-CD1 3.71Å
155L96.5Very high96.5Very high4 Ų420.9 Ų20.92%0.02110%0.102CC..Hα-helixtrans-85.5-7.9177.6-61.7177.1000114.2L124 L127 I151 A152 R153 S157 N158 P159 I186 L192L124-L155 HydrophobicContact CD2-CB 3.85Å; L127-L155 HydrophobicContact CD2-CD1 4.42Å; I151-L155 HydrophobicContact CG2-CD1 3.96Å; I151-L155 HydrophobicContact CG2-CG 4.46Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 3.18Å; R153-L155 PolarHBondContact O-N 2.93Å; L155-S157 PolarHBondContact O-N 3.07Å; L155-N158 PolarHBondContact O-N 2.8Å; L155-P159 HydrophobicContact CD2-CG 4.43Å; L155-I186 HydrophobicContact CD1-CD1 3.77Å; L155-I186 HydrophobicContact CD1-CG1 4.14Å; L155-I186 HydrophobicContact CD1-CG2 4.05Å; L155-I186 HydrophobicContact CD2-CG2 4.14Å; L155-L192 HydrophobicContact CD2-CD2 3.53Å
156A97Very high96.3Very high2 Ų218.9 Ų18.92%0.0179%0.093CC..THydrogen-bonded Turntrans-55.5-49.1-172.700000112.4V103 P106 L107 L124 A152 R153 N158V103-A156 HydrophobicContact CG1-CB 4.48Å; V103-A156 WeakPolarHBondContact O-CB 3.36Å; P106-A156 HydrophobicContact CB-CB 4.12Å; P106-A156 HydrophobicContact CG-CB 4.06Å; L107-A156 WeakPolarHBondContact CD2-O 3.31Å; L107-A156 HydrophobicContact CG-CB 4.24Å; L124-A156 HydrophobicContact CD1-CB 4.2Å; A152-A156 PolarHBondContact O-N 3.26Å; A152-A156 VanDerWaalsContact O-N 3.14Å; R153-A156 VanDerWaalsContact O-CB 3.22Å; R153-A156 WeakPolarHBondContact O-CB 3.42Å; R153-A156 PolarHBondContact O-N 2.94Å; A156-N158 PolarHBondContact O-N 3.45Å; A156-N158 VanDerWaalsContact O-N 3.13Å
157S93Very high95.9Very high26 Ų2616.8 Ų16.818%0.1829%0.085CC..THydrogen-bonded Turntrans-76.810.9179.3-58.10000114.6R82 P106 L155R82-S157 WeakPolarHBondContact O-CB 3.27Å; P106-S157 WeakPolarHBondContact CB-OG 3.26Å; L155-S157 PolarHBondContact O-N 3.07Å
158N93.8Very high95.7Very high97 Ų9717 Ų1752%0.5199%0.086SC..  trans51.756.6-177.6-161.846.6000113.3R120 L155 A156R120-N158 PolarHBondContact NH2-OD1 3.32Å; R120-N158 VanDerWaalsContact NH2-OD1 3.1Å; L155-N158 PolarHBondContact O-N 2.8Å; A156-N158 PolarHBondContact O-N 3.45Å; A156-N158 VanDerWaalsContact O-N 3.13Å
159P96.6Very high95.3Very high10 Ų1016.2 Ų16.27%0.0659%0.089CC..  trans-69.9158.6-174.834.1-39.4000112.1Q83 A154 L155 V161 L192Q83-P159 VanDerWaalsContact C-CB 3.46Å; Q83-P159 WeakPolarHBondContact O-CA 3.49Å; Q83-P159 VanDerWaalsContact O-CB 3.23Å; Q83-P159 WeakPolarHBondContact O-CB 3.36Å; A154-P159 WeakPolarHBondContact O-CG 3.41Å; L155-P159 HydrophobicContact CD2-CG 4.43Å; P159-V161 WeakPolarHBondContact CB-O 3.43Å; P159-L192 HydrophobicContact CG-CD1 4.36Å; P159-L192 WeakPolarHBondContact O-CD1 3.33Å
160K96.5Very high94.8Very high88 Ų8819.6 Ų19.638%0.38312%0.117SC..SBendtrans-88.3-21.4171.2-63.1-178.7-179.9-1760112.5M1 D65 Q83 T193M1-K160 HydrophobicContact CE-CB 3.93Å; M1-K160 HydrophobicContact CE-CD 4.35Å; M1-K160 HydrophobicContact SD-CB 4.21Å; D65-K160 HydrophobicContact CB-CD 4.38Å; D65-K160 IonicContact OD1-NZ 3.73Å; D65-K160 VanDerWaalsContact OD2-CD 3.3Å; D65-K160 WeakPolarHBondContact OD2-CD 3.42Å; D65-K160 WeakPolarHBondContact OD2-CE 3.43Å; D65-K160 IonicContact OD2-NZ 2.69Å; D65-K160 PolarHBondContact OD2-NZ 3.46Å; Q83-K160 PolarHBondContact O-N 3.49Å; K160-T193 PolarHBondContact O-N 2.91Å; K160-T193 VanDerWaalsContact O-N 3.1Å
161V98.1Very high94.5Very high0 Ų020.6 Ų20.60%012%0.123CC..EExtended strand (participates in β ladder)trans-126.6137.6-178.4175.70000110.3M1 I2 V64 Q83 I84 G85 P159 L163 T193M1-V161 HydrophobicContact CG-CG2 3.46Å; M1-V161 VanDerWaalsContact CG-CG2 3.46Å; M1-V161 HydrophobicContact SD-CG2 3.83Å; I2-V161 HydrophobicContact CD1-CG1 3.65Å; I2-V161 HydrophobicContact CD1-CG2 4.32Å; I2-V161 HydrophobicContact CG1-CG1 4.22Å; I2-V161 HydrophobicContact CG1-CG2 4.04Å; V64-V161 HydrophobicContact CG1-CG2 3.94Å; Q83-V161 PolarHBondContact O-N 3.15Å; I84-V161 HydrophobicContact CG2-CB 4.41Å; I84-V161 HydrophobicContact CG2-CG1 4.24Å; G85-V161 PolarHBondContact N-O 2.88Å; P159-V161 WeakPolarHBondContact CB-O 3.43Å; V161-L163 HydrophobicContact CG1-CD2 3.7Å; V161-L163 HydrophobicContact CG1-CG 4.25Å; V161-T193 CarbonylContact C-O 3.57Å; V161-T193 VanDerWaalsContact CA-O 3.31Å; V161-T193 WeakPolarHBondContact CA-O 3.32Å
162L98.1Very high94.2Very high0 Ų024.5 Ų24.50%014%0.143CC..EExtended strand (participates in β ladder)trans-119.6122.8169.7-17766.1000110.4G85 I87 A154 L183 L192 T193 I194 L195G85-L162 WeakPolarHBondContact O-CA 3.43Å; I87-L162 HydrophobicContact CD1-CD1 3.83Å; I87-L162 HydrophobicContact CD1-CD2 3.95Å; I87-L162 HydrophobicContact CD1-CG 4.15Å; I87-L162 HydrophobicContact CG1-CD1 4.04Å; A154-L162 HydrophobicContact CB-CD1 3.71Å; L162-L183 HydrophobicContact CD2-CD2 3.74Å; L162-L192 HydrophobicContact CB-CD1 4.47Å; L162-L192 HydrophobicContact CB-CD2 3.74Å; L162-L192 HydrophobicContact CB-CG 4.12Å; L162-L192 HydrophobicContact CD2-CD2 3.97Å; L162-L192 HydrophobicContact CG-CD2 4.45Å; L162-T193 PolarHBondContact N-O 2.89Å; L162-I194 HydrophobicContact CB-CG1 4.25Å; L162-I194 HydrophobicContact CD2-CD1 4.23Å; L162-I194 HydrophobicContact CD2-CG1 4.4Å; L162-I194 WeakPolarHBondContact O-CA 3.41Å; L162-L195 PolarHBondContact O-N 3.28Å
163L98.1Very high93.9Very high0 Ų029.1 Ų29.10%017%0.173CC..EExtended strand (participates in β ladder)trans-99.8126176.3-56.7-175.1000109.5I48 V51 N52 I84 G85 M86 I87 V161 L195I48-L163 HydrophobicContact CD1-CB 3.88Å; I48-L163 HydrophobicContact CG1-CB 3.88Å; I48-L163 HydrophobicContact CG1-CD1 4.29Å; I48-L163 HydrophobicContact CG1-CD2 4.27Å; I48-L163 HydrophobicContact CG1-CG 4.37Å; V51-L163 HydrophobicContact CB-CD1 4.02Å; V51-L163 HydrophobicContact CB-CD2 4.24Å; V51-L163 HydrophobicContact CG1-CD1 4.1Å; V51-L163 HydrophobicContact CG1-CD2 3.87Å; N52-L163 HydrophobicContact CB-CD1 3.81Å; I84-L163 HydrophobicContact CG2-CD1 3.67Å; I84-L163 HydrophobicContact CG2-CG 3.83Å; G85-L163 PolarHBondContact O-N 2.87Å; M86-L163 CarbonylContact C-O 3.43Å; M86-L163 WeakPolarHBondContact CA-O 3.45Å; M86-L163 HydrophobicContact CB-CB 4.27Å; M86-L163 HydrophobicContact CG-CB 4.06Å; I87-L163 PolarHBondContact N-O 3.14Å; V161-L163 HydrophobicContact CG1-CD2 3.7Å; V161-L163 HydrophobicContact CG1-CG 4.25Å; L163-L195 CarbonylContact C-O 3.57Å; L163-L195 WeakPolarHBondContact CA-O 3.46Å; L163-L195 HydrophobicContact CD2-CB 3.94Å; L163-L195 HydrophobicContact CD2-CD2 4.16Å; L163-L195 HydrophobicContact CD2-CG 4.48Å
164C96.9Very high93.6Very high2 Ų231 Ų311%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-117.2107.6178.5-56.10000110.9I48 A167 L195 L196 I197I48-C164 VanDerWaalsContact CD1-C 3.47Å; I48-C164 VanDerWaalsContact CD1-O 3.31Å; I48-C164 WeakPolarHBondContact CD1-O 3.09Å; C164-A167 HydrophobicContact CB-CB 4.02Å; C164-L195 PolarHBondContact N-O 3.02Å; C164-L196 HydrophobicContact CB-CB 3.66Å; C164-L196 WeakPolarHBondContact O-CA 3.3Å; C164-I197 WeakPolarHBondContact O-CG1 3.39Å; C164-I197 PolarHBondContact O-N 3.03Å
165D95.5Very high93.3Very high0 Ų032.1 Ų32.10%020%0.201CC..EExtended strand (participates in β ladder)trans-91.196.7175.4-172.6-2.5000109.3S45 I48 R49 M86 I87 F88 Q89 A167 I197S45-D165 PolarHBondContact OG-OD1 2.88Å; I48-D165 HydrophobicContact CG2-CB 4.38Å; R49-D165 IonicContact CZ-OD2 3.71Å; R49-D165 IonicContact NE-OD2 3.86Å; R49-D165 IonicContact NH2-OD2 3.79Å; R49-D165 PolarHBondContact NH2-OD2 2.96Å; M86-D165 HydrophobicContact CE-CB 4.01Å; I87-D165 PolarHBondContact O-N 3.21Å; F88-D165 CarbonylContact C-O 3.53Å; F88-D165 VanDerWaalsContact C-O 3.31Å; Q89-D165 WeakPolarHBondContact CA-O 3.47Å; Q89-D165 PolarHBondContact N-O 2.79Å; D165-A167 PolarHBondContact O-N 3.05Å; D165-I197 HydrophobicContact CB-CD1 4.25Å; D165-I197 HydrophobicContact CB-CG1 4.39Å; D165-I197 WeakPolarHBondContact OD1-CD1 3.45Å
166E91.2Very high93.2Very high14 Ų1432.5 Ų32.57%0.06520%0.203CC..SBendtrans50.239.7176-63.7-76.8179.300113.4K44 Q89 T168 S169 I197 T198 H199K44-E166 WeakPolarHBondContact CE-OE1 3.38Å; K44-E166 IonicContact NZ-OE1 2.78Å; Q89-E166 HydrophobicContact CB-CB 4.24Å; Q89-E166 HydrophobicContact CG-CB 3.97Å; E166-T168 PolarHBondContact O-N 2.92Å; E166-S169 WeakPolarHBondContact O-CB 3.5Å; E166-S169 PolarHBondContact O-N 3.19Å; E166-S169 VanDerWaalsContact O-N 3.08Å; E166-S169 PolarHBondContact O-OG 3.16Å; E166-I197 PolarHBondContact N-O 2.9Å; E166-I197 VanDerWaalsContact N-O 3.15Å; E166-T198 VanDerWaalsContact OE1-C 3.28Å; E166-T198 WeakPolarHBondContact OE1-CA 3.26Å; E166-T198 WeakPolarHBondContact OE2-CA 3.41Å; E166-H199 PolarHBondContact OE1-N 3.07Å; E166-H199 IonicContact OE1-ND1 2.99Å; E166-H199 PolarHBondContact OE1-ND1 2.87Å; E166-H199 IonicContact OE2-CE1 3.27Å; E166-H199 IonicContact OE2-CG 3.7Å; E166-H199 PolarHBondContact OE2-N 3.41Å; E166-H199 IonicContact OE2-ND1 2.96Å; E166-H199 PolarHBondContact OE2-ND1 3.3Å
167A89.2Confident93Very high10 Ų1038.5 Ų38.58%0.08323%0.226CC..THydrogen-bonded Turntrans-59.9-13.1-168.200000115.3I87 Q147 C164 D165I87-A167 HydrophobicContact CG2-CB 3.87Å; Q147-A167 PolarHBondContact NE2-O 2.8Å; C164-A167 HydrophobicContact CB-CB 4.02Å; D165-A167 PolarHBondContact O-N 3.05Å
168T91.4Very high93Very high5 Ų539.3 Ų39.33%0.03123%0.231CC..THydrogen-bonded Turntrans-119.3-2-178.950.70000114.1E166 A170 L171 T176 I179 L180E166-T168 PolarHBondContact O-N 2.92Å; T168-A170 VanDerWaalsContact C-N 3.27Å; T168-A170 PolarHBondContact O-N 3.26Å; T168-A170 VanDerWaalsContact O-N 3.17Å; T168-L171 HydrophobicContact CG2-CD1 4.41Å; T168-L171 PolarHBondContact O-N 2.94Å; T168-T176 HydrophobicContact CG2-CG2 3.98Å; T168-T176 PolarHBondContact O-OG1 2.93Å; T168-I179 HydrophobicContact CG2-CB 4.23Å; T168-I179 HydrophobicContact CG2-CG2 3.93Å; T168-L180 HydrophobicContact CG2-CD2 4.01Å; T168-L180 HydrophobicContact CG2-CG 4.27Å
169S87.4Confident93.1Very high38 Ų3834.8 Ų34.827%0.26621%0.207SC..THydrogen-bonded Turntrans-63.3-24.5-172.158.30000115.3E166E166-S169 WeakPolarHBondContact O-CB 3.5Å; E166-S169 PolarHBondContact O-N 3.19Å; E166-S169 VanDerWaalsContact O-N 3.08Å; E166-S169 PolarHBondContact O-OG 3.16Å
170A86.1Confident93Very high72 Ų7234.5 Ų34.560%0.59521%0.205SC*.THydrogen-bonded Turntrans-103.415.1-178.200000113.4T168T168-A170 VanDerWaalsContact C-N 3.27Å; T168-A170 PolarHBondContact O-N 3.26Å; T168-A170 VanDerWaalsContact O-N 3.17Å
171L90.2Very high93Very high24 Ų2436.5 Ų36.513%0.12622%0.216CC..SBendtrans-115.2150.3-173.3-54.2178.7000110.7F91 G143 Q147 T168 T175 I179F91-L171 HydrophobicContact CE1-CD2 4.29Å; F91-L171 HydrophobicContact CZ-CD2 4.24Å; G143-L171 VanDerWaalsContact C-CD2 3.43Å; Q147-L171 HydrophobicContact CB-CD1 4.23Å; Q147-L171 HydrophobicContact CG-CD1 4.14Å; T168-L171 HydrophobicContact CG2-CD1 4.41Å; T168-L171 PolarHBondContact O-N 2.94Å; L171-T175 HydrophobicContact CB-CG2 4.07Å; L171-T175 HydrophobicContact CD1-CG2 3.96Å; L171-T175 HydrophobicContact CD2-CG2 4.21Å; L171-T175 HydrophobicContact CG-CG2 4.3Å; L171-I179 HydrophobicContact CD1-CG1 3.92Å
172D91.8Very high92.8Very high81 Ų8137.1 Ų37.143%0.43322%0.219SC..  trans-67.8158.5172.166.887.4000111.3A174 T175 T176D172-A174 VanDerWaalsContact C-N 3.28Å; D172-A174 PolarHBondContact O-N 2.99Å; D172-A174 VanDerWaalsContact O-N 3.16Å; D172-A174 WeakPolarHBondContact OD1-CB 3.37Å; D172-A174 PolarHBondContact OD1-N 2.8Å; D172-A174 VanDerWaalsContact OD1-N 3.1Å; D172-T175 VanDerWaalsContact CG-OG1 3.29Å; D172-T175 PolarHBondContact O-N 2.89Å; D172-T175 VanDerWaalsContact O-N 3.14Å; D172-T175 PolarHBondContact OD1-N 3.43Å; D172-T175 PolarHBondContact OD1-OG1 3.26Å; D172-T175 WeakPolarHBondContact OD2-CB 3.08Å; D172-T175 PolarHBondContact OD2-OG1 2.56Å; D172-T176 PolarHBondContact O-N 3.35Å; D172-T176 PolarHBondContact O-OG1 3.11Å
173P90.1Very high92.8Very high97 Ų9737.3 Ų37.363%0.6322%0.22SC*.Hα-helixtrans-56.8-34.1-175.4-28.735.9000115.2R177P173-R177 WeakPolarHBondContact O-CG 3.28Å; P173-R177 PolarHBondContact O-N 2.96Å
174A91.5Very high92.6Very high70 Ų7040.7 Ų40.758%0.57923%0.234SC*.Hα-helixtrans-71.9-44.4179.600000110.7D172 R177 S178D172-A174 VanDerWaalsContact C-N 3.28Å; D172-A174 PolarHBondContact O-N 2.99Å; D172-A174 VanDerWaalsContact O-N 3.16Å; D172-A174 WeakPolarHBondContact OD1-CB 3.37Å; D172-A174 PolarHBondContact OD1-N 2.8Å; D172-A174 VanDerWaalsContact OD1-N 3.1Å; A174-R177 PolarHBondContact O-N 2.99Å; A174-S178 PolarHBondContact O-N 2.8Å
175T91.2Very high92.6Very high34 Ų3443 Ų4321%0.20925%0.247CC..Hα-helixtrans-62.9-43174.1-61.90000111.6L171 D172 R177 S178 I179L171-T175 HydrophobicContact CB-CG2 4.07Å; L171-T175 HydrophobicContact CD1-CG2 3.96Å; L171-T175 HydrophobicContact CD2-CG2 4.21Å; L171-T175 HydrophobicContact CG-CG2 4.3Å; D172-T175 VanDerWaalsContact CG-OG1 3.29Å; D172-T175 PolarHBondContact O-N 2.89Å; D172-T175 VanDerWaalsContact O-N 3.14Å; D172-T175 PolarHBondContact OD1-N 3.43Å; D172-T175 PolarHBondContact OD1-OG1 3.26Å; D172-T175 WeakPolarHBondContact OD2-CB 3.08Å; D172-T175 PolarHBondContact OD2-OG1 2.56Å; T175-R177 PolarHBondContact O-N 2.93Å; T175-S178 WeakPolarHBondContact O-CB 3.46Å; T175-S178 PolarHBondContact O-N 2.83Å; T175-S178 VanDerWaalsContact O-N 3.17Å; T175-I179 HydrophobicContact CG2-CG1 4.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.41Å; T175-I179 PolarHBondContact O-N 2.59Å
176T93Very high92.5Very high13 Ų1343 Ų438%0.0825%0.247CC..Hα-helixtrans-54.7-50.2176.2-71.10000111.2T168 D172 S178 I179 L180T168-T176 HydrophobicContact CG2-CG2 3.98Å; T168-T176 PolarHBondContact O-OG1 2.93Å; D172-T176 PolarHBondContact O-N 3.35Å; D172-T176 PolarHBondContact O-OG1 3.11Å; T176-S178 VanDerWaalsContact C-N 3.32Å; T176-S178 PolarHBondContact O-N 2.87Å; T176-I179 PolarHBondContact O-N 3.49Å; T176-L180 HydrophobicContact CG2-CD1 3.92Å; T176-L180 HydrophobicContact CG2-CG 4.32Å; T176-L180 VanDerWaalsContact O-CG 3.27Å; T176-L180 WeakPolarHBondContact O-CG 2.94Å; T176-L180 PolarHBondContact O-N 3.41Å
177R93.4Very high92.8Very high128 Ų12843 Ų4348%0.48325%0.248SC..Hα-helixtrans-56.1-47.1176.7-70.5173.8-167.6176.24.2112P173 A174 T175 I179 L180 E181P173-R177 WeakPolarHBondContact O-CG 3.28Å; P173-R177 PolarHBondContact O-N 2.96Å; A174-R177 PolarHBondContact O-N 2.99Å; T175-R177 PolarHBondContact O-N 2.93Å; R177-I179 VanDerWaalsContact C-N 3.31Å; R177-I179 PolarHBondContact O-N 2.85Å; R177-L180 PolarHBondContact O-N 2.92Å; R177-E181 WeakPolarHBondContact O-CG 3.45Å; R177-E181 PolarHBondContact O-N 2.86Å
178S93.9Very high93Very high43 Ų4351.2 Ų51.230%0.30128%0.276SS..Hα-helixtrans-61.4-37.7-179.9-168.90000113.1R148 A174 T175 T176 L182R148-S178 PolarHBondContact NH2-OG 2.86Å; A174-S178 PolarHBondContact O-N 2.8Å; T175-S178 WeakPolarHBondContact O-CB 3.46Å; T175-S178 PolarHBondContact O-N 2.83Å; T175-S178 VanDerWaalsContact O-N 3.17Å; T176-S178 VanDerWaalsContact C-N 3.32Å; T176-S178 PolarHBondContact O-N 2.87Å; S178-L182 PolarHBondContact O-N 3.34Å; S178-L182 VanDerWaalsContact O-N 3.16Å
179I94.7Very high93.1Very high1 Ų159 Ų591%0.00531%0.305CS..Hα-helixtrans-71.1-41.7176.4-66.2-60.7000111.6Q147 R148 I151 T168 L171 T175 T176 R177 L182 L183Q147-I179 HydrophobicContact CB-CD1 4.09Å; Q147-I179 HydrophobicContact CG-CD1 4.13Å; Q147-I179 HydrophobicContact CG-CG1 4.3Å; Q147-I179 HydrophobicContact CG-CG2 4.13Å; R148-I179 HydrophobicContact CG-CD1 3.68Å; I151-I179 HydrophobicContact CD1-CD1 4.29Å; I151-I179 HydrophobicContact CD1-CG2 4Å; T168-I179 HydrophobicContact CG2-CB 4.23Å; T168-I179 HydrophobicContact CG2-CG2 3.93Å; L171-I179 HydrophobicContact CD1-CG1 3.92Å; T175-I179 HydrophobicContact CG2-CG1 4.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.41Å; T175-I179 PolarHBondContact O-N 2.59Å; T176-I179 PolarHBondContact O-N 3.49Å; R177-I179 VanDerWaalsContact C-N 3.31Å; R177-I179 PolarHBondContact O-N 2.85Å; I179-L182 WeakPolarHBondContact O-CB 3.38Å; I179-L182 PolarHBondContact O-N 3.19Å; I179-L183 WeakPolarHBondContact O-CG 3.39Å; I179-L183 PolarHBondContact O-N 3.17Å
180L95.8Very high93.4Very high4 Ų461.5 Ų61.52%0.02132%0.315CS..Hα-helixtrans-64.1-42177.4-65.2177.5000111.6T168 T176 R177 L182 L183 K184 V203 R206 I207T168-L180 HydrophobicContact CG2-CD2 4.01Å; T168-L180 HydrophobicContact CG2-CG 4.27Å; T176-L180 HydrophobicContact CG2-CD1 3.92Å; T176-L180 HydrophobicContact CG2-CG 4.32Å; T176-L180 VanDerWaalsContact O-CG 3.27Å; T176-L180 WeakPolarHBondContact O-CG 2.94Å; T176-L180 PolarHBondContact O-N 3.41Å; R177-L180 PolarHBondContact O-N 2.92Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.32Å; L180-L183 PolarHBondContact O-N 3.04Å; L180-K184 PolarHBondContact O-N 2.69Å; L180-V203 HydrophobicContact CD1-CB 4.37Å; L180-V203 HydrophobicContact CD1-CG1 4.39Å; L180-V203 HydrophobicContact CD1-CG2 4.12Å; L180-V203 HydrophobicContact CD2-CG1 3.71Å; L180-V203 HydrophobicContact CD2-CG2 4.46Å; L180-R206 HydrophobicContact CD1-CB 4.35Å; L180-I207 HydrophobicContact CB-CG2 3.8Å; L180-I207 HydrophobicContact CD2-CD1 3.63Å; L180-I207 HydrophobicContact CD2-CG1 4.25Å; L180-I207 WeakPolarHBondContact O-CG2 3.4Å
181E95Very high93.8Very high130 Ų13060.4 Ų60.461%0.60731%0.31SS*.Hα-helixtrans-59.9-42173.6-75.2172.6-17900112R177 K184 D185R177-E181 WeakPolarHBondContact O-CG 3.45Å; R177-E181 PolarHBondContact O-N 2.86Å; E181-K184 PolarHBondContact O-N 2.74Å; E181-D185 WeakPolarHBondContact O-CB 3.4Å; E181-D185 PolarHBondContact O-N 3.29Å
182L95.5Very high94.1Very high14 Ų1459.5 Ų59.57%0.07331%0.306CS..Hα-helixtrans-60.2-46.3174.6174.462000111.7L127 V128 R148 I151 S178 I179 L180 K184 D185 I186L127-L182 HydrophobicContact CD2-CD1 4.33Å; V128-L182 HydrophobicContact CB-CD2 4.19Å; V128-L182 HydrophobicContact CG1-CD2 4.2Å; R148-L182 HydrophobicContact CG-CD2 3.97Å; I151-L182 HydrophobicContact CD1-CD2 3.9Å; S178-L182 PolarHBondContact O-N 3.34Å; S178-L182 VanDerWaalsContact O-N 3.16Å; I179-L182 WeakPolarHBondContact O-CB 3.38Å; I179-L182 PolarHBondContact O-N 3.19Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.32Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 3.01Å; L182-D185 PolarHBondContact O-N 3.12Å; L182-I186 HydrophobicContact CD1-CD1 3.9Å; L182-I186 HydrophobicContact CD1-CG1 4.29Å; L182-I186 HydrophobicContact CG-CD1 3.83Å; L182-I186 WeakPolarHBondContact O-CD1 3.35Å; L182-I186 VanDerWaalsContact O-CG1 3.29Å; L182-I186 WeakPolarHBondContact O-CG1 3.09Å; L182-I186 PolarHBondContact O-N 3.02Å
183L96.3Very high94.4Very high4 Ų455.7 Ų55.72%0.02129%0.286CS..Hα-helixtrans-60.8-40.5176.8-70174.8000112I87 I151 L162 I179 L180 I186 N187 I194 I207I87-L183 HydrophobicContact CD1-CD2 4.32Å; I151-L183 HydrophobicContact CD1-CD2 4.37Å; I151-L183 HydrophobicContact CG1-CD2 4.46Å; L162-L183 HydrophobicContact CD2-CD2 3.74Å; I179-L183 WeakPolarHBondContact O-CG 3.39Å; I179-L183 PolarHBondContact O-N 3.17Å; L180-L183 PolarHBondContact O-N 3.04Å; L183-I186 PolarHBondContact O-N 3.02Å; L183-N187 WeakPolarHBondContact O-CB 3.18Å; L183-N187 PolarHBondContact O-N 3.07Å; L183-I194 HydrophobicContact CB-CD1 4.32Å; L183-I207 HydrophobicContact CB-CD1 4.43Å; L183-I207 HydrophobicContact CD1-CD1 4.31Å
184K95.5Very high94.8Very high70 Ų7051.1 Ų51.130%0.30426%0.256SS..Hα-helixtrans-65.6-40.8177.3-164.3174.6-163.5162.60112.1L180 E181 L182 N187 R188 R206 I207L180-K184 PolarHBondContact O-N 2.69Å; E181-K184 PolarHBondContact O-N 2.74Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 3.01Å; K184-N187 PolarHBondContact O-N 3.38Å; K184-R188 WeakPolarHBondContact O-CG 3.33Å; K184-R188 PolarHBondContact O-N 3.32Å; K184-R206 PolarHBondContact NZ-O 3.35Å; K184-I207 HydrophobicContact CB-CG2 4.13Å; K184-I207 HydrophobicContact CD-CG2 4.27Å
185D95.6Very high95.1Very high50 Ų5047.8 Ų47.827%0.26723%0.228SC..Hα-helixtrans-64.7-43.8175.2-176.462.5000111.5E181 L182 N187 R188 R189E181-D185 WeakPolarHBondContact O-CB 3.4Å; E181-D185 PolarHBondContact O-N 3.29Å; L182-D185 PolarHBondContact O-N 3.12Å; D185-N187 PolarHBondContact O-N 3.31Å; D185-R188 PolarHBondContact O-N 3.37Å; D185-R189 WeakPolarHBondContact O-CB 3.39Å; D185-R189 WeakPolarHBondContact O-CG 3.38Å; D185-R189 PolarHBondContact O-N 2.95Å; D185-R189 IonicContact OD1-CZ 3.17Å; D185-R189 VanDerWaalsContact OD1-CZ 3.27Å; D185-R189 IonicContact OD1-NE 2.7Å; D185-R189 PolarHBondContact OD1-NE 3.21Å; D185-R189 IonicContact OD1-NH2 2.92Å; D185-R189 PolarHBondContact OD1-NH2 3.46Å; D185-R189 IonicContact OD2-CZ 3.6Å; D185-R189 IonicContact OD2-NE 3.8Å; D185-R189 PolarHBondContact OD2-NE 2.87Å; D185-R189 IonicContact OD2-NH1 3.26Å; D185-R189 IonicContact OD2-NH2 2.66Å; D185-R189 PolarHBondContact OD2-NH2 2.92Å
186I94.1Very high95.4Very high0 Ų046.5 Ų46.50%022%0.22CC..Hα-helixtrans-58.7-48.8174.5-71.5157.5000111.3L127 I151 L155 L182 L183 R188 R189 L190 L192L127-I186 HydrophobicContact CD2-CD1 4.08Å; L127-I186 HydrophobicContact CD2-CG1 3.74Å; I151-I186 HydrophobicContact CG2-CD1 3.66Å; L155-I186 HydrophobicContact CD1-CD1 3.77Å; L155-I186 HydrophobicContact CD1-CG1 4.14Å; L155-I186 HydrophobicContact CD1-CG2 4.05Å; L155-I186 HydrophobicContact CD2-CG2 4.14Å; L182-I186 HydrophobicContact CD1-CD1 3.9Å; L182-I186 HydrophobicContact CD1-CG1 4.29Å; L182-I186 HydrophobicContact CG-CD1 3.83Å; L182-I186 WeakPolarHBondContact O-CD1 3.35Å; L182-I186 VanDerWaalsContact O-CG1 3.29Å; L182-I186 WeakPolarHBondContact O-CG1 3.09Å; L182-I186 PolarHBondContact O-N 3.02Å; L183-I186 PolarHBondContact O-N 3.02Å; I186-R188 PolarHBondContact O-N 3.16Å; I186-R189 PolarHBondContact O-N 3.4Å; I186-L190 HydrophobicContact CG2-CD1 4.02Å; I186-L190 WeakPolarHBondContact O-CB 3.2Å; I186-L190 PolarHBondContact O-N 2.86Å; I186-L192 HydrophobicContact CG2-CB 4.44Å; I186-L192 HydrophobicContact CG2-CD2 3.54Å
187N96.5Very high95.6Very high16 Ų1646 Ų469%0.08622%0.217CC..Hα-helixtrans-56.1-49.5177.3164.6-97.4000111.3G31 I33 L183 K184 D185 G191 L192 I194G31-N187 PolarHBondContact O-ND2 3.14Å; I33-N187 HydrophobicContact CD1-CB 3.78Å; I33-N187 HydrophobicContact CG1-CB 4Å; L183-N187 WeakPolarHBondContact O-CB 3.18Å; L183-N187 PolarHBondContact O-N 3.07Å; K184-N187 PolarHBondContact O-N 3.38Å; D185-N187 PolarHBondContact O-N 3.31Å; N187-G191 VanDerWaalsContact O-CA 3.27Å; N187-G191 WeakPolarHBondContact O-CA 3.44Å; N187-G191 PolarHBondContact O-N 2.84Å; N187-L192 PolarHBondContact ND2-O 3.35Å; N187-L192 PolarHBondContact O-N 3.43Å; N187-I194 HydrophobicContact CB-CD1 3.92Å; N187-I194 HydrophobicContact CB-CG1 4.49Å
188R95Very high95.6Very high181 Ų18140 Ų4068%0.68319%0.194SC*.Hα-helixtrans-63.8-42.3-179.8-73.9174.6175.2-178.3-4.7113.3K184 D185 I186K184-R188 WeakPolarHBondContact O-CG 3.33Å; K184-R188 PolarHBondContact O-N 3.32Å; D185-R188 PolarHBondContact O-N 3.37Å; I186-R188 PolarHBondContact O-N 3.16Å
189R92.9Very high95.4Very high170 Ų17042.2 Ų42.264%0.64220%0.2SC*.Hα-helixtrans-75.6-38.2-176.7-70.1-176.8-167.6-167.711.4113.1D185 I186D185-R189 WeakPolarHBondContact O-CB 3.39Å; D185-R189 WeakPolarHBondContact O-CG 3.38Å; D185-R189 PolarHBondContact O-N 2.95Å; D185-R189 IonicContact OD1-CZ 3.17Å; D185-R189 VanDerWaalsContact OD1-CZ 3.27Å; D185-R189 IonicContact OD1-NE 2.7Å; D185-R189 PolarHBondContact OD1-NE 3.21Å; D185-R189 IonicContact OD1-NH2 2.92Å; D185-R189 PolarHBondContact OD1-NH2 3.46Å; D185-R189 IonicContact OD2-CZ 3.6Å; D185-R189 IonicContact OD2-NE 3.8Å; D185-R189 PolarHBondContact OD2-NE 2.87Å; D185-R189 IonicContact OD2-NH1 3.26Å; D185-R189 IonicContact OD2-NH2 2.66Å; D185-R189 PolarHBondContact OD2-NH2 2.92Å; I186-R189 PolarHBondContact O-N 3.4Å
190L92.9Very high95Very high89 Ų8945 Ų4547%0.46621%0.213SC..Hα-helixtrans-103.1-9.3-172.3-56.7-174.6000113.7I186 L192I186-L190 HydrophobicContact CG2-CD1 4.02Å; I186-L190 WeakPolarHBondContact O-CB 3.2Å; I186-L190 PolarHBondContact O-N 2.86Å; L190-L192 HydrophobicContact CB-CB 4.24Å; L190-L192 PolarHBondContact O-N 3.1Å
191G95.2Very high94.7Very high49 Ų4945 Ų4551%0.50521%0.213SC..THydrogen-bonded Turntrans6325.3-169.600000112.5G31 N187G31-G191 WeakPolarHBondContact CA-O 3.46Å; N187-G191 VanDerWaalsContact O-CA 3.27Å; N187-G191 WeakPolarHBondContact O-CA 3.44Å; N187-G191 PolarHBondContact O-N 2.84Å
192L96.5Very high94.3Very high6 Ų642 Ų423%0.03120%0.201CC..  trans-70.7129-174.1-177.567.8000110.5L155 P159 L162 I186 N187 L190 I194L155-L192 HydrophobicContact CD2-CD2 3.53Å; P159-L192 HydrophobicContact CG-CD1 4.36Å; P159-L192 WeakPolarHBondContact O-CD1 3.33Å; L162-L192 HydrophobicContact CB-CD1 4.47Å; L162-L192 HydrophobicContact CB-CD2 3.74Å; L162-L192 HydrophobicContact CB-CG 4.12Å; L162-L192 HydrophobicContact CD2-CD2 3.97Å; L162-L192 HydrophobicContact CG-CD2 4.45Å; I186-L192 HydrophobicContact CG2-CB 4.44Å; I186-L192 HydrophobicContact CG2-CD2 3.54Å; N187-L192 PolarHBondContact ND2-O 3.35Å; N187-L192 PolarHBondContact O-N 3.43Å; L190-L192 HydrophobicContact CB-CB 4.24Å; L190-L192 PolarHBondContact O-N 3.1Å; L192-I194 HydrophobicContact CD2-CG1 4.46Å; L192-I194 HydrophobicContact CG-CG1 4.38Å
193T98.4Very high94.1Very high1 Ų141.6 Ų41.61%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-79.7126.5174.8-52.80000109.4M1 V28 P29 A30 G31 K160 V161 L162M1-T193 HydrophobicContact CB-CG2 3.96Å; M1-T193 HydrophobicContact CG-CG2 3.86Å; M1-T193 WeakPolarHBondContact CG-OG1 3.34Å; V28-T193 HydrophobicContact CG1-CG2 3.63Å; P29-T193 WeakPolarHBondContact O-CG2 3.4Å; A30-T193 WeakPolarHBondContact CA-OG1 3.32Å; G31-T193 PolarHBondContact N-OG1 3.43Å; K160-T193 PolarHBondContact O-N 2.91Å; K160-T193 VanDerWaalsContact O-N 3.1Å; V161-T193 CarbonylContact C-O 3.57Å; V161-T193 VanDerWaalsContact CA-O 3.31Å; V161-T193 WeakPolarHBondContact CA-O 3.32Å; L162-T193 PolarHBondContact N-O 2.89Å
194I98.2Very high94Very high0 Ų041.4 Ų41.40%020%0.198CC..EExtended strand (participates in β ladder)trans-116.3127.3-178.1-53.7-173.6000109.3Q32 I33 Y34 L162 L183 N187 L192Q32-I194 PolarHBondContact O-N 3.42Å; I33-I194 CarbonylContact C-O 3.57Å; I33-I194 WeakPolarHBondContact CA-O 3.4Å; I33-I194 HydrophobicContact CB-CB 4.43Å; I33-I194 HydrophobicContact CD1-CD1 4.26Å; I33-I194 HydrophobicContact CG1-CB 4.16Å; I33-I194 HydrophobicContact CG1-CD1 4.22Å; I33-I194 HydrophobicContact CG1-CG1 4.35Å; I33-I194 HydrophobicContact CG2-CB 4.2Å; I33-I194 HydrophobicContact CG2-CG2 4.32Å; Y34-I194 PolarHBondContact N-O 3.37Å; L162-I194 HydrophobicContact CB-CG1 4.25Å; L162-I194 HydrophobicContact CD2-CD1 4.23Å; L162-I194 HydrophobicContact CD2-CG1 4.4Å; L162-I194 WeakPolarHBondContact O-CA 3.41Å; L183-I194 HydrophobicContact CB-CD1 4.32Å; N187-I194 HydrophobicContact CB-CD1 3.92Å; N187-I194 HydrophobicContact CB-CG1 4.49Å; L192-I194 HydrophobicContact CD2-CG1 4.46Å; L192-I194 HydrophobicContact CG-CG1 4.38Å
195L98.3Very high93.7Very high1 Ų139 Ų391%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-114.2118.3166174.564.1000108.1I2 L26 V28 Y34 V36 V51 L162 L163 C164I2-L195 HydrophobicContact CD1-CB 4.02Å; I2-L195 HydrophobicContact CD1-CD2 4.27Å; L26-L195 HydrophobicContact CD2-CD1 4.13Å; L26-L195 HydrophobicContact CD2-CD2 4.33Å; V28-L195 HydrophobicContact CG2-CD1 4.26Å; Y34-L195 HydrophobicContact CD1-CD1 4.14Å; Y34-L195 HydrophobicContact CG-CD1 4.49Å; Y34-L195 WeakPolarHBondContact O-CA 3.38Å; V36-L195 HydrophobicContact CG2-CD1 3.85Å; V51-L195 HydrophobicContact CG2-CD2 3.81Å; L162-L195 PolarHBondContact O-N 3.28Å; L163-L195 CarbonylContact C-O 3.57Å; L163-L195 WeakPolarHBondContact CA-O 3.46Å; L163-L195 HydrophobicContact CD2-CB 3.94Å; L163-L195 HydrophobicContact CD2-CD2 4.16Å; L163-L195 HydrophobicContact CD2-CG 4.48Å; C164-L195 PolarHBondContact N-O 3.02Å
196L97.2Very high93.5Very high6 Ų641.6 Ų41.63%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-118.7143.4178.568.791000111.1I33 Y34 G35 V36 C164 T198 V203 I207I33-L196 HydrophobicContact CG2-CD2 3.84Å; Y34-L196 PolarHBondContact O-N 3.19Å; G35-L196 CarbonylContact C-O 3.56Å; G35-L196 WeakPolarHBondContact CA-O 3.35Å; V36-L196 PolarHBondContact N-O 3.42Å; C164-L196 HydrophobicContact CB-CB 3.66Å; C164-L196 WeakPolarHBondContact O-CA 3.3Å; L196-T198 HydrophobicContact CD1-CG2 3.93Å; L196-V203 HydrophobicContact CD1-CG1 3.9Å; L196-V203 HydrophobicContact CD2-CG1 4.49Å; L196-I207 HydrophobicContact CD2-CD1 3.48Å; L196-I207 VanDerWaalsContact CD2-CD1 3.48Å; L196-I207 HydrophobicContact CD2-CG1 4.01Å
197I96.6Very high93.5Very high2 Ų241.9 Ų41.91%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-109.3139.7167.256160.8000109.2V36 K44 I48 C164 D165 E166V36-I197 HydrophobicContact CB-CG2 3.8Å; V36-I197 HydrophobicContact CG1-CG2 4.3Å; V36-I197 HydrophobicContact CG2-CG2 4.48Å; V36-I197 WeakPolarHBondContact O-CA 3.43Å; K44-I197 HydrophobicContact CB-CB 4.04Å; K44-I197 HydrophobicContact CB-CD1 3.9Å; K44-I197 HydrophobicContact CB-CG2 4.04Å; K44-I197 HydrophobicContact CD-CB 4.4Å; I48-I197 HydrophobicContact CB-CD1 4.39Å; I48-I197 HydrophobicContact CB-CG1 4.49Å; I48-I197 HydrophobicContact CB-CG2 4.16Å; I48-I197 HydrophobicContact CD1-CG1 3.99Å; I48-I197 HydrophobicContact CD1-CG2 4.33Å; I48-I197 HydrophobicContact CG2-CD1 3.74Å; I48-I197 HydrophobicContact CG2-CG1 4.24Å; C164-I197 WeakPolarHBondContact O-CG1 3.39Å; C164-I197 PolarHBondContact O-N 3.03Å; D165-I197 HydrophobicContact CB-CD1 4.25Å; D165-I197 HydrophobicContact CB-CG1 4.39Å; D165-I197 WeakPolarHBondContact OD1-CD1 3.45Å; E166-I197 PolarHBondContact N-O 2.9Å; E166-I197 VanDerWaalsContact N-O 3.15Å
198T93.7Very high93.5Very high2 Ų241.5 Ų41.51%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-152.3162.3178.3-171.70000111V36 I37 K44 E166 L196 E200 V203 V204V36-T198 PolarHBondContact O-N 2.81Å; I37-T198 WeakPolarHBondContact CA-O 3.46Å; K44-T198 WeakPolarHBondContact CD-O 3.46Å; K44-T198 WeakPolarHBondContact CE-O 3.17Å; E166-T198 VanDerWaalsContact OE1-C 3.28Å; E166-T198 WeakPolarHBondContact OE1-CA 3.26Å; E166-T198 WeakPolarHBondContact OE2-CA 3.41Å; L196-T198 HydrophobicContact CD1-CG2 3.93Å; T198-E200 WeakPolarHBondContact CG2-O 3.48Å; T198-E200 PolarHBondContact OG1-N 2.79Å; T198-V203 HydrophobicContact CG2-CB 4.14Å; T198-V203 HydrophobicContact CG2-CG1 4.23Å; T198-V204 HydrophobicContact CG2-CG2 3.79Å
199H89.1Confident93.5Very high91 Ų9136.3 Ų36.342%0.42118%0.18SC..SBendtrans-104.3-7.6164.765.5-70.6000112.1E166E166-H199 PolarHBondContact OE1-N 3.07Å; E166-H199 IonicContact OE1-ND1 2.99Å; E166-H199 PolarHBondContact OE1-ND1 2.87Å; E166-H199 IonicContact OE2-CE1 3.27Å; E166-H199 IonicContact OE2-CG 3.7Å; E166-H199 PolarHBondContact OE2-N 3.41Å; E166-H199 IonicContact OE2-ND1 2.96Å; E166-H199 PolarHBondContact OE2-ND1 3.3Å
200E87.5Confident93.7Very high58 Ų5829.1 Ų29.127%0.27116%0.155SC..  trans-99.1114.6-177.1-67.3173.5-140.400110.4T198 D202 V203T198-E200 WeakPolarHBondContact CG2-O 3.48Å; T198-E200 PolarHBondContact OG1-N 2.79Å; E200-D202 PolarHBondContact O-N 2.97Å; E200-V203 HydrophobicContact CB-CG2 3.94Å; E200-V203 WeakPolarHBondContact O-CB 3.27Å; E200-V203 PolarHBondContact O-N 2.95Å
201M88Confident93.8Very high6 Ų624.9 Ų24.93%0.0313%0.133CC..Hα-helixtrans-69.4-22.8179-179.463.687.300112.4I37 V203 V204 K205 F229 F240 I241 T244I37-M201 HydrophobicContact CD1-CB 3.77Å; I37-M201 HydrophobicContact CD1-CE 3.64Å; I37-M201 HydrophobicContact CD1-CG 4.45Å; I37-M201 HydrophobicContact CD1-SD 3.96Å; I37-M201 HydrophobicContact CG2-CE 4.28Å; M201-V203 PolarHBondContact O-N 2.99Å; M201-V204 WeakPolarHBondContact O-CB 3.26Å; M201-V204 PolarHBondContact O-N 3.17Å; M201-V204 VanDerWaalsContact O-N 3.12Å; M201-V204 HydrophobicContact SD-CB 3.75Å; M201-V204 HydrophobicContact SD-CG1 4.02Å; M201-V204 HydrophobicContact SD-CG2 4.09Å; M201-K205 WeakPolarHBondContact O-CG 3.43Å; M201-K205 PolarHBondContact O-N 3.15Å; M201-F229 HydrophobicContact CE-CE2 4.46Å; M201-F229 HydrophobicContact CE-CZ 4.3Å; M201-F229 HydrophobicContact CG-CE1 4.2Å; M201-F229 HydrophobicContact CG-CE2 4.33Å; M201-F229 HydrophobicContact CG-CZ 3.47Å; M201-F229 VanDerWaalsContact CG-CZ 3.47Å; M201-F229 HydrophobicContact SD-CE2 3.65Å; M201-F229 HydrophobicContact SD-CZ 3.4Å; M201-F229 WeakPolarHBondContact SD-CZ 3Å; M201-F240 HydrophobicContact CE-CB 3.78Å; M201-I241 HydrophobicContact CE-CG1 4.5Å; M201-T244 HydrophobicContact CB-CG2 3.29Å; M201-T244 HydrophobicContact CG-CG2 3.32Å
202D86.8Confident93.9Very high67 Ų6722.5 Ų22.536%0.35811%0.109SC..Hα-helixtrans-59.5-31.8171.4-83.2-9.5000113.7E200 K205 R206E200-D202 PolarHBondContact O-N 2.97Å; D202-K205 WeakPolarHBondContact OD1-CE 3.31Å; D202-K205 IonicContact OD1-NZ 2.8Å; D202-K205 PolarHBondContact OD1-NZ 3.19Å; D202-R206 WeakPolarHBondContact O-CG 3.39Å; D202-R206 PolarHBondContact O-N 3.12Å
203V92.7Very high93.8Very high4 Ų422.2 Ų22.22%0.02411%0.107CC..Hα-helixtrans-66.7-46.7174.2171.10000109.8L180 L196 T198 E200 M201 K205 R206 I207L180-V203 HydrophobicContact CD1-CB 4.37Å; L180-V203 HydrophobicContact CD1-CG1 4.39Å; L180-V203 HydrophobicContact CD1-CG2 4.12Å; L180-V203 HydrophobicContact CD2-CG1 3.71Å; L180-V203 HydrophobicContact CD2-CG2 4.46Å; L196-V203 HydrophobicContact CD1-CG1 3.9Å; L196-V203 HydrophobicContact CD2-CG1 4.49Å; T198-V203 HydrophobicContact CG2-CB 4.14Å; T198-V203 HydrophobicContact CG2-CG1 4.23Å; E200-V203 HydrophobicContact CB-CG2 3.94Å; E200-V203 WeakPolarHBondContact O-CB 3.27Å; E200-V203 PolarHBondContact O-N 2.95Å; M201-V203 PolarHBondContact O-N 2.99Å; V203-K205 PolarHBondContact O-N 3.01Å; V203-R206 PolarHBondContact O-N 3.24Å; V203-I207 PolarHBondContact O-N 2.94Å
204V92.7Very high93.7Very high0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-59.5-49.3-179.7179.50000110.6T198 M201 R206 C208 V211 V225T198-V204 HydrophobicContact CG2-CG2 3.79Å; M201-V204 WeakPolarHBondContact O-CB 3.26Å; M201-V204 PolarHBondContact O-N 3.17Å; M201-V204 VanDerWaalsContact O-N 3.12Å; M201-V204 HydrophobicContact SD-CB 3.75Å; M201-V204 HydrophobicContact SD-CG1 4.02Å; M201-V204 HydrophobicContact SD-CG2 4.09Å; V204-R206 VanDerWaalsContact C-N 3.25Å; V204-R206 PolarHBondContact O-N 2.95Å; V204-C208 HydrophobicContact CG1-CB 3.96Å; V204-C208 WeakPolarHBondContact O-CB 3.29Å; V204-C208 PolarHBondContact O-N 2.94Å; V204-V211 HydrophobicContact CG1-CB 3.83Å; V204-V211 HydrophobicContact CG1-CG2 3.77Å; V204-V211 HydrophobicContact CG2-CG2 4.42Å; V204-V225 HydrophobicContact CG1-CG2 3.87Å
205K89.9Confident93.5Very high21 Ų2123.6 Ų23.69%0.09112%0.116CC..Hα-helixtrans-55.6-37.9-179.4-70.6-173.3-65.7-177.50113.6M201 D202 V203 F229 D302 A304 F309M201-K205 WeakPolarHBondContact O-CG 3.43Å; M201-K205 PolarHBondContact O-N 3.15Å; D202-K205 WeakPolarHBondContact OD1-CE 3.31Å; D202-K205 IonicContact OD1-NZ 2.8Å; D202-K205 PolarHBondContact OD1-NZ 3.19Å; V203-K205 PolarHBondContact O-N 3.01Å; K205-F229 HydrophobicContact CD-CE1 3.63Å; K205-F229 HydrophobicContact CD-CZ 3.63Å; K205-F229 HydrophobicContact CG-CE1 3.73Å; K205-F229 HydrophobicContact CG-CE2 3.86Å; K205-F229 HydrophobicContact CG-CZ 3.19Å; K205-D302 IonicContact NZ-OD2 3.6Å; K205-D302 PolarHBondContact NZ-OD2 2.85Å; K205-A304 HydrophobicContact CB-CB 4.29Å; K205-A304 HydrophobicContact CD-CB 4.17Å; K205-A304 HydrophobicContact CG-CB 3.82Å; K205-F309 HydrophobicContact CD-CZ 3.97Å
206R90.9Very high93.3Very high103 Ų10330.1 Ų30.139%0.38915%0.151SC..Hα-helixtrans-77.8-39.5-171.3-75.4177.7-164.7-76.3-10.2113.5L180 K184 D202 V203 V204L180-R206 HydrophobicContact CD1-CB 4.35Å; K184-R206 PolarHBondContact NZ-O 3.35Å; D202-R206 WeakPolarHBondContact O-CG 3.39Å; D202-R206 PolarHBondContact O-N 3.12Å; V203-R206 PolarHBondContact O-N 3.24Å; V204-R206 VanDerWaalsContact C-N 3.25Å; V204-R206 PolarHBondContact O-N 2.95Å
207I94.4Very high93.2Very high6 Ų629.9 Ų29.93%0.03115%0.15CC..Hα-helixtrans-129.4-20.2-166.366.4164.1000115.4I33 L180 L183 K184 L196 V203I33-I207 VanDerWaalsContact CB-O 3.31Å; I33-I207 WeakPolarHBondContact CB-O 3.49Å; I33-I207 HydrophobicContact CD1-CB 4.26Å; I33-I207 VanDerWaalsContact CD1-O 3.3Å; I33-I207 WeakPolarHBondContact CD1-O 3.46Å; I33-I207 HydrophobicContact CG2-CD1 4.22Å; I33-I207 HydrophobicContact CG2-CG1 4.21Å; I33-I207 WeakPolarHBondContact CG2-O 3.44Å; L180-I207 HydrophobicContact CB-CG2 3.8Å; L180-I207 HydrophobicContact CD2-CD1 3.63Å; L180-I207 HydrophobicContact CD2-CG1 4.25Å; L180-I207 WeakPolarHBondContact O-CG2 3.4Å; L183-I207 HydrophobicContact CB-CD1 4.43Å; L183-I207 HydrophobicContact CD1-CD1 4.31Å; K184-I207 HydrophobicContact CB-CG2 4.13Å; K184-I207 HydrophobicContact CD-CG2 4.27Å; L196-I207 HydrophobicContact CD2-CD1 3.48Å; L196-I207 VanDerWaalsContact CD2-CD1 3.48Å; L196-I207 HydrophobicContact CD2-CG1 4.01Å; V203-I207 PolarHBondContact O-N 2.94Å
208C96.2Very high93.2Very high9 Ų933.9 Ų33.96%0.06117%0.169CC..  trans-79.3143.5-176.7-64.40000111.9G35 V204 V225G35-C208 VanDerWaalsContact CA-SG 3.57Å; V204-C208 HydrophobicContact CG1-CB 3.96Å; V204-C208 WeakPolarHBondContact O-CB 3.29Å; V204-C208 PolarHBondContact O-N 2.94Å; C208-V225 HydrophobicContact CB-CG2 3.75Å; C208-V225 VanDerWaalsContact O-CG2 3.3Å; C208-V225 WeakPolarHBondContact O-CG2 3.42Å
209D95.6Very high93.3Very high72 Ų7235.4 Ų35.439%0.38518%0.177SC..SBendtrans-89.1-41.7168.9-54.6-52.1000110.1Q32 I33 V225Q32-D209 WeakPolarHBondContact CA-OD2 3.4Å; Q32-D209 HydrophobicContact CB-CB 4.49Å; I33-D209 PolarHBondContact N-OD2 2.96Å; I33-D209 PolarHBondContact O-N 2.65Å; D209-V225 PolarHBondContact O-N 3.12Å
210C96.5Very high93.5Very high18 Ų1834.4 Ų34.412%0.12217%0.174CC..EExtended strand (participates in β ladder)trans-127.1153.5178.9-640000110.9I33 Y34 G35 D223I33-C210 PolarHBondContact O-N 3.49Å; Y34-C210 HydrophobicContact CD2-CB 3.47Å; Y34-C210 VanDerWaalsContact CD2-CB 3.47Å; Y34-C210 HydrophobicContact CE2-CB 3.37Å; Y34-C210 HydrophobicContact CG-CB 4.15Å; G35-C210 PolarHBondContact N-O 2.76Å; C210-D223 WeakPolarHBondContact CA-O 3.21Å
211V95.8Very high93.8Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-135140.6177.763.30000111G35 I37 V204 Q222 D223 V225 V228G35-V211 CarbonylContact O-C 3.52Å; G35-V211 VanDerWaalsContact O-CA 3.27Å; G35-V211 WeakPolarHBondContact O-CA 3.3Å; I37-V211 HydrophobicContact CG2-CG2 3.82Å; V204-V211 HydrophobicContact CG1-CB 3.83Å; V204-V211 HydrophobicContact CG1-CG2 3.77Å; V204-V211 HydrophobicContact CG2-CG2 4.42Å; V211-Q222 WeakPolarHBondContact O-CA 3.42Å; V211-D223 PolarHBondContact N-O 2.91Å; V211-D223 PolarHBondContact O-N 2.98Å; V211-D223 VanDerWaalsContact O-N 3.07Å; V211-V225 HydrophobicContact CB-CG2 4.3Å; V211-V225 HydrophobicContact CG1-CG2 4.35Å; V211-V228 HydrophobicContact CG1-CB 3.83Å; V211-V228 HydrophobicContact CG1-CG1 4.13Å; V211-V228 HydrophobicContact CG1-CG2 3.52Å
212A96.3Very high94.2Very high0 Ų035.6 Ų35.60%018%0.18CC..EExtended strand (participates in β ladder)trans-116.6134.2166.400000110.5L26 Y34 G35 V36 I37 L219 E221 Q222L26-A212 HydrophobicContact CD1-CB 4.25Å; Y34-A212 HydrophobicContact CE1-CB 3.71Å; G35-A212 PolarHBondContact O-N 2.8Å; V36-A212 CarbonylContact C-O 3.5Å; V36-A212 WeakPolarHBondContact CA-O 3.29Å; V36-A212 HydrophobicContact CG2-CB 4.36Å; I37-A212 PolarHBondContact N-O 3.17Å; A212-L219 HydrophobicContact CB-CD1 4.45Å; A212-L219 HydrophobicContact CB-CD2 4.04Å; A212-E221 CarbonylContact C-O 3.51Å; A212-E221 VanDerWaalsContact CA-O 3.26Å; A212-E221 WeakPolarHBondContact CA-O 3.26Å; A212-Q222 HydrophobicContact CB-CG 3.81Å
213V95.3Very high94.6Very high0 Ų034.5 Ų34.50%017%0.174CC..EExtended strand (participates in β ladder)trans-99.2119.5175.8-174.30000108.8I37 I220 E221 L236 A237 F240I37-V213 HydrophobicContact CG2-CB 4.41Å; I37-V213 HydrophobicContact CG2-CG2 3.89Å; I37-V213 CarbonylContact O-C 3.53Å; I37-V213 WeakPolarHBondContact O-CA 3.31Å; V213-I220 PolarHBondContact O-N 2.97Å; V213-E221 HydrophobicContact CB-CB 4.23Å; V213-E221 HydrophobicContact CG2-CB 4.24Å; V213-E221 PolarHBondContact N-O 2.98Å; V213-L236 HydrophobicContact CG1-CD2 4.05Å; V213-L236 HydrophobicContact CG1-CG 4.25Å; V213-A237 HydrophobicContact CG2-CB 4.17Å; V213-F240 HydrophobicContact CG1-CD2 4.31Å; V213-F240 HydrophobicContact CG1-CE2 4.37Å
214I95.4Very high94.7Very high0 Ų036.8 Ų36.80%019%0.188CC..EExtended strand (participates in β ladder)trans-105135.4177.8-165.1173.5000111.4L21 V36 I37 G38 A42 K44 E218 L219L21-I214 HydrophobicContact CD2-CD1 3.94Å; V36-I214 HydrophobicContact CG1-CB 4.29Å; V36-I214 HydrophobicContact CG1-CG2 3.98Å; I37-I214 WeakPolarHBondContact O-CG2 3.37Å; I37-I214 PolarHBondContact O-N 3.34Å; G38-I214 WeakPolarHBondContact CA-O 3.5Å; A42-I214 HydrophobicContact CB-CG2 4.08Å; A42-I214 WeakPolarHBondContact O-CD1 3.48Å; K44-I214 HydrophobicContact CD-CG2 4.36Å; K44-I214 HydrophobicContact CG-CG2 3.51Å; I214-E218 CarbonylContact C-O 3.34Å; I214-E218 VanDerWaalsContact CA-O 3.3Å; I214-E218 WeakPolarHBondContact CA-O 3.48Å; I214-E218 WeakPolarHBondContact CG1-O 3.06Å; I214-L219 HydrophobicContact CB-CD2 3.79Å; I214-L219 HydrophobicContact CD1-CD2 4.37Å; I214-L219 HydrophobicContact CG1-CD2 4.05Å
215S94.7Very high94.7Very high29 Ų2936.8 Ų36.820%0.20319%0.188CC..EExtended strand (participates in β ladder)trans-141.8133.3173.5-165.40000109.9G217 E218 L236S215-G217 PolarHBondContact O-N 3.34Å; S215-E218 PolarHBondContact N-O 3.14Å; S215-E218 PolarHBondContact O-N 3.26Å; S215-L236 VanDerWaalsContact CB-CD2 3.44Å
216N94.1Very high94.6Very high138 Ų13837.4 Ų37.474%0.73820%0.195SC*.THydrogen-bonded Turntrans49.536.5176.6-57.4-35.1000114.1E218N216-E218 VanDerWaalsContact C-N 3.33Å; N216-E218 PolarHBondContact O-N 2.69Å
217G95.1Very high94.5Very high1 Ų135.6 Ų35.61%0.0119%0.19CC..THydrogen-bonded Turntrans80.14.9-178.800000115.5A20 L21 N22 V24 A42 S215A20-G217 WeakPolarHBondContact O-CA 3.32Å; L21-G217 WeakPolarHBondContact CA-O 3.34Å; N22-G217 PolarHBondContact N-O 3.34Å; V24-G217 WeakPolarHBondContact CG2-O 3.24Å; A42-G217 WeakPolarHBondContact O-CA 3.43Å; A42-G217 PolarHBondContact O-N 2.79Å; S215-G217 PolarHBondContact O-N 3.34Å
218E96.7Very high94.2Very high87 Ų8735.3 Ų35.341%0.40719%0.189SC..EExtended strand (participates in β ladder)trans-116.8143.6-179.8-65.8178.7-15900111.5N22 I214 S215 N216 I220N22-E218 HydrophobicContact CB-CG 3.93Å; N22-E218 PolarHBondContact ND2-OE1 2.96Å; I214-E218 CarbonylContact C-O 3.34Å; I214-E218 VanDerWaalsContact CA-O 3.3Å; I214-E218 WeakPolarHBondContact CA-O 3.48Å; I214-E218 WeakPolarHBondContact CG1-O 3.06Å; S215-E218 PolarHBondContact N-O 3.14Å; S215-E218 PolarHBondContact O-N 3.26Å; N216-E218 VanDerWaalsContact C-N 3.33Å; N216-E218 PolarHBondContact O-N 2.69Å; E218-I220 HydrophobicContact CB-CD1 4.13Å; E218-I220 PolarHBondContact O-N 3.46Å
219L95.6Very high93.6Very high34 Ų3435 Ų3518%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-84.6109171.6-66.3-176.8000109.4V24 S25 L26 A212 I214 Q222V24-L219 HydrophobicContact CG1-CD1 3.56Å; V24-L219 HydrophobicContact CG1-CG 3.71Å; V24-L219 HydrophobicContact CG2-CG 4.44Å; S25-L219 WeakPolarHBondContact O-CD1 3.23Å; L26-L219 HydrophobicContact CB-CD1 4.19Å; L26-L219 HydrophobicContact CD1-CD1 4.21Å; A212-L219 HydrophobicContact CB-CD1 4.45Å; A212-L219 HydrophobicContact CB-CD2 4.04Å; I214-L219 HydrophobicContact CB-CD2 3.79Å; I214-L219 HydrophobicContact CD1-CD2 4.37Å; I214-L219 HydrophobicContact CG1-CD2 4.05Å; L219-Q222 HydrophobicContact CB-CG 4.36Å; L219-Q222 HydrophobicContact CD1-CG 4.33Å; L219-Q222 VanDerWaalsContact CD1-NE2 3.28Å
220I94.1Very high92.9Very high70 Ų7032 Ų3236%0.35917%0.172SC..EExtended strand (participates in β ladder)trans-86.2-31.6-172.6-57-60.7000111.4V213 E218 T234V213-I220 PolarHBondContact O-N 2.97Å; E218-I220 HydrophobicContact CB-CD1 4.13Å; E218-I220 PolarHBondContact O-N 3.46Å; I220-T234 HydrophobicContact CG2-CG2 3.6Å
221E93.8Very high92.2Very high10 Ų1035.8 Ų35.85%0.04719%0.187CC..EExtended strand (participates in β ladder)trans-150.5139.3-179.3-167.2162.617000109.9A212 V213 V228 K233 T234 A237A212-E221 CarbonylContact C-O 3.51Å; A212-E221 VanDerWaalsContact CA-O 3.26Å; A212-E221 WeakPolarHBondContact CA-O 3.26Å; V213-E221 HydrophobicContact CB-CB 4.23Å; V213-E221 HydrophobicContact CG2-CB 4.24Å; V213-E221 PolarHBondContact N-O 2.98Å; E221-V228 HydrophobicContact CG-CG2 4.41Å; E221-K233 PolarHBondContact OE1-N 3.43Å; E221-K233 PolarHBondContact OE2-N 2.76Å; E221-T234 HydrophobicContact CB-CG2 4.37Å; E221-T234 WeakPolarHBondContact OE2-CB 3.43Å; E221-T234 WeakPolarHBondContact OE2-CG2 3.35Å; E221-T234 PolarHBondContact OE2-N 3.27Å; E221-T234 VanDerWaalsContact OE2-N 3.13Å; E221-T234 PolarHBondContact OE2-OG1 2.95Å; E221-A237 WeakPolarHBondContact OE2-CB 3.42Å
222Q95.5Very high91.6Very high79 Ų7937.9 Ų37.937%0.36920%0.201SC..EExtended strand (participates in β ladder)trans-143117.7177.2-60.9-175.752.900108.5S25 V211 A212 L219S25-Q222 PolarHBondContact O-NE2 2.97Å; V211-Q222 WeakPolarHBondContact O-CA 3.42Å; A212-Q222 HydrophobicContact CB-CG 3.81Å; L219-Q222 HydrophobicContact CB-CG 4.36Å; L219-Q222 HydrophobicContact CD1-CG 4.33Å; L219-Q222 VanDerWaalsContact CD1-NE2 3.28Å
223D95.1Very high91.2Very high44 Ų4444.1 Ų44.124%0.23523%0.228CC..EExtended strand (participates in β ladder)trans-160.6-179.1178.1-137.7-51.5000111.3C210 V211 E227 V228 K233C210-D223 WeakPolarHBondContact CA-O 3.21Å; V211-D223 PolarHBondContact N-O 2.91Å; V211-D223 PolarHBondContact O-N 2.98Å; V211-D223 VanDerWaalsContact O-N 3.07Å; D223-E227 HydrophobicContact CB-CB 4.06Å; D223-E227 HydrophobicContact CB-CG 4.32Å; D223-E227 WeakPolarHBondContact OD1-CB 3.31Å; D223-E227 WeakPolarHBondContact OD2-CG 3.07Å; D223-V228 HydrophobicContact CB-CG2 3.62Å; D223-K233 IonicContact OD2-NZ 3.97Å; D223-K233 PolarHBondContact OD2-NZ 3.28Å
224T94.2Very high90.9Very high52 Ų5245.2 Ų45.232%0.31924%0.235SC..EExtended strand (participates in β ladder)trans-61151.5165.962.40000110.4S226 E227 V228T224-S226 PolarHBondContact O-N 3.48Å; T224-S226 PolarHBondContact OG1-OG 2.94Å; T224-E227 PolarHBondContact O-N 3.37Å; T224-E227 VanDerWaalsContact O-N 3.15Å; T224-E227 VanDerWaalsContact OG1-CB 3.31Å; T224-E227 WeakPolarHBondContact OG1-CB 3.47Å; T224-E227 PolarHBondContact OG1-N 3.38Å; T224-V228 PolarHBondContact O-N 3.16Å; T224-V228 VanDerWaalsContact O-N 3.12Å
225V92.6Very high90.5Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-57.4-38.9174.6172.80000110.5V204 C208 D209 V211 E227 F229 A304V204-V225 HydrophobicContact CG1-CG2 3.87Å; C208-V225 HydrophobicContact CB-CG2 3.75Å; C208-V225 VanDerWaalsContact O-CG2 3.3Å; C208-V225 WeakPolarHBondContact O-CG2 3.42Å; D209-V225 PolarHBondContact O-N 3.12Å; V211-V225 HydrophobicContact CB-CG2 4.3Å; V211-V225 HydrophobicContact CG1-CG2 4.35Å; V225-E227 PolarHBondContact O-N 2.78Å; V225-F229 HydrophobicContact CG1-CD2 3.73Å; V225-F229 HydrophobicContact CG1-CE2 3.81Å; V225-F229 WeakPolarHBondContact O-CB 3.3Å; V225-F229 WeakPolarHBondContact O-CD2 3.35Å; V225-F229 PolarHBondContact O-N 3.39Å; V225-A304 HydrophobicContact CG1-CB 4.06Å
226S87.8Confident90.2Very high34 Ų3451.2 Ų51.224%0.23827%0.27CS..Hα-helixtrans-57.3-48175.841.60000112.8T224 F229 S230T224-S226 PolarHBondContact O-N 3.48Å; T224-S226 PolarHBondContact OG1-OG 2.94Å; S226-F229 PolarHBondContact O-N 2.81Å; S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 3.18Å; S226-S230 PolarHBondContact O-OG 3.36Å
227E89.3Confident89.7Confident64 Ų6444.7 Ų44.730%0.29924%0.235SC..Hα-helixtrans-70.5-42.1-173.4-170.759.7-151.300112.1D223 T224 V225 F229 S230 H231D223-E227 HydrophobicContact CB-CB 4.06Å; D223-E227 HydrophobicContact CB-CG 4.32Å; D223-E227 WeakPolarHBondContact OD1-CB 3.31Å; D223-E227 WeakPolarHBondContact OD2-CG 3.07Å; T224-E227 PolarHBondContact O-N 3.37Å; T224-E227 VanDerWaalsContact O-N 3.15Å; T224-E227 VanDerWaalsContact OG1-CB 3.31Å; T224-E227 WeakPolarHBondContact OG1-CB 3.47Å; T224-E227 PolarHBondContact OG1-N 3.38Å; V225-E227 PolarHBondContact O-N 2.78Å; E227-F229 VanDerWaalsContact C-N 3.27Å; E227-F229 PolarHBondContact O-N 2.83Å; E227-S230 WeakPolarHBondContact CA-OG 3.41Å; E227-S230 PolarHBondContact O-N 2.84Å; E227-S230 PolarHBondContact O-OG 2.78Å; E227-H231 CarbonylContact O-C 3.55Å; E227-H231 PolarHBondContact O-N 2.9Å; E227-H231 IonicContact OE1-CG 3.87Å; E227-H231 IonicContact OE1-ND1 2.94Å; E227-H231 PolarHBondContact OE1-ND1 2.71Å; E227-H231 IonicContact OE2-ND1 3.23Å
228V88.6Confident89.2Confident0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-62.4-38177176.30000111V211 E221 D223 T224 P232 A237 I241V211-V228 HydrophobicContact CG1-CB 3.83Å; V211-V228 HydrophobicContact CG1-CG1 4.13Å; V211-V228 HydrophobicContact CG1-CG2 3.52Å; E221-V228 HydrophobicContact CG-CG2 4.41Å; D223-V228 HydrophobicContact CB-CG2 3.62Å; T224-V228 PolarHBondContact O-N 3.16Å; T224-V228 VanDerWaalsContact O-N 3.12Å; V228-P232 WeakPolarHBondContact O-CA 3.4Å; V228-P232 WeakPolarHBondContact O-CD 3.47Å; V228-A237 HydrophobicContact CG1-CB 4.39Å; V228-I241 HydrophobicContact CG1-CD1 4.3Å; V228-I241 WeakPolarHBondContact O-CD1 3.42Å
229F83.5Confident88.6Confident3 Ų350.1 Ų50.11%0.01326%0.258CS..Hα-helixtrans-76.9-32.8178.9-85.4-93.1000114M201 K205 V225 S226 E227 I241 A304 F309M201-F229 HydrophobicContact CE-CE2 4.46Å; M201-F229 HydrophobicContact CE-CZ 4.3Å; M201-F229 HydrophobicContact CG-CE1 4.2Å; M201-F229 HydrophobicContact CG-CE2 4.33Å; M201-F229 HydrophobicContact CG-CZ 3.47Å; M201-F229 VanDerWaalsContact CG-CZ 3.47Å; M201-F229 HydrophobicContact SD-CE2 3.65Å; M201-F229 HydrophobicContact SD-CZ 3.4Å; M201-F229 WeakPolarHBondContact SD-CZ 3Å; K205-F229 HydrophobicContact CD-CE1 3.63Å; K205-F229 HydrophobicContact CD-CZ 3.63Å; K205-F229 HydrophobicContact CG-CE1 3.73Å; K205-F229 HydrophobicContact CG-CE2 3.86Å; K205-F229 HydrophobicContact CG-CZ 3.19Å; V225-F229 HydrophobicContact CG1-CD2 3.73Å; V225-F229 HydrophobicContact CG1-CE2 3.81Å; V225-F229 WeakPolarHBondContact O-CB 3.3Å; V225-F229 WeakPolarHBondContact O-CD2 3.35Å; V225-F229 PolarHBondContact O-N 3.39Å; S226-F229 PolarHBondContact O-N 2.81Å; E227-F229 VanDerWaalsContact C-N 3.27Å; E227-F229 PolarHBondContact O-N 2.83Å; F229-I241 HydrophobicContact CD1-CG1 4.1Å; F229-I241 HydrophobicContact CD1-CG2 4Å; F229-I241 HydrophobicContact CE1-CG1 4.12Å; F229-I241 HydrophobicContact CE1-CG2 4.2Å; F229-A304 HydrophobicContact CB-CB 4.19Å; F229-A304 HydrophobicContact CD1-CB 3.82Å; F229-A304 HydrophobicContact CD2-CB 3.82Å; F229-A304 HydrophobicContact CE1-CB 4.11Å; F229-A304 HydrophobicContact CE2-CB 4.07Å; F229-A304 HydrophobicContact CG-CB 3.65Å; F229-A304 HydrophobicContact CZ-CB 4.19Å; F229-F309 HydrophobicContact CD1-CD1 4.2Å; F229-F309 HydrophobicContact CD1-CD2 4.37Å; F229-F309 AromaticContact CD1-CE1 3.72Å; F229-F309 HydrophobicContact CD1-CE1 3.72Å; F229-F309 AromaticContact CD1-CE2 3.86Å; F229-F309 HydrophobicContact CD1-CE2 3.86Å; F229-F309 AromaticContact CD1-CZ 3.52Å; F229-F309 HydrophobicContact CD1-CZ 3.52Å; F229-F309 HydrophobicContact CE1-CE1 4.21Å; F229-F309 HydrophobicContact CE1-CE2 4.12Å; F229-F309 AromaticContact CE1-CZ 3.67Å; F229-F309 HydrophobicContact CE1-CZ 3.67Å; F229-F309 HydrophobicContact CG-CE1 4.46Å
230S80.5Confident88Confident10 Ų1049.8 Ų49.87%0.0726%0.255CS..Hα-helixtrans-81-37.9178.257.90000112.8S226 E227 T274S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 3.18Å; S226-S230 PolarHBondContact O-OG 3.36Å; E227-S230 WeakPolarHBondContact CA-OG 3.41Å; E227-S230 PolarHBondContact O-N 2.84Å; E227-S230 PolarHBondContact O-OG 2.78Å; S230-T274 WeakPolarHBondContact O-CB 3.45Å; S230-T274 WeakPolarHBondContact O-CG2 3.45Å
231H82Confident87.4Confident97 Ų9747.1 Ų47.145%0.44924%0.241SC..SBendtrans-141.667-172.4-48.7116.5000111.4E227 K233E227-H231 CarbonylContact O-C 3.55Å; E227-H231 PolarHBondContact O-N 2.9Å; E227-H231 IonicContact OE1-CG 3.87Å; E227-H231 IonicContact OE1-ND1 2.94Å; E227-H231 PolarHBondContact OE1-ND1 2.71Å; E227-H231 IonicContact OE2-ND1 3.23Å; H231-K233 PolarHBondContact O-N 3.08Å; H231-K233 VanDerWaalsContact O-N 3.12Å
232P84Confident86.6Confident43 Ų4349.8 Ų49.828%0.27925%0.254SS..  trans-59.3121.8177.223.8-32.2000110.3V228 T234 A237 Q238 I241V228-P232 WeakPolarHBondContact O-CA 3.4Å; V228-P232 WeakPolarHBondContact O-CD 3.47Å; P232-T234 VanDerWaalsContact C-N 3.34Å; P232-A237 HydrophobicContact CB-CB 4.13Å; P232-Q238 HydrophobicContact CB-CB 4.27Å; P232-Q238 HydrophobicContact CG-CB 4.23Å; P232-Q238 HydrophobicContact CG-CG 4.39Å; P232-I241 HydrophobicContact CB-CD1 3.65Å; P232-I241 HydrophobicContact CG-CD1 3.84Å
233K87.9Confident85.9Confident132 Ų13249.6 Ų49.657%0.57426%0.261SS*.  trans-80.6-21.1-176.1-65.6165.9-175.5160.50111.9E221 D223 H231E221-K233 PolarHBondContact OE1-N 3.43Å; E221-K233 PolarHBondContact OE2-N 2.76Å; D223-K233 IonicContact OD2-NZ 3.97Å; D223-K233 PolarHBondContact OD2-NZ 3.28Å; H231-K233 PolarHBondContact O-N 3.08Å; H231-K233 VanDerWaalsContact O-N 3.12Å
234T88.1Confident85Confident23 Ų2347.9 Ų47.914%0.14125%0.253CS..SBendtrans-124.8145-170.767.50000112.9I220 E221 P232 L236 A237 Q238I220-T234 HydrophobicContact CG2-CG2 3.6Å; E221-T234 HydrophobicContact CB-CG2 4.37Å; E221-T234 WeakPolarHBondContact OE2-CB 3.43Å; E221-T234 WeakPolarHBondContact OE2-CG2 3.35Å; E221-T234 PolarHBondContact OE2-N 3.27Å; E221-T234 VanDerWaalsContact OE2-N 3.13Å; E221-T234 PolarHBondContact OE2-OG1 2.95Å; P232-T234 VanDerWaalsContact C-N 3.34Å; T234-L236 PolarHBondContact O-N 3.33Å; T234-L236 VanDerWaalsContact O-N 3.15Å; T234-A237 PolarHBondContact O-N 2.85Å; T234-A237 VanDerWaalsContact O-N 3.14Å; T234-A237 WeakPolarHBondContact OG1-CB 3.34Å; T234-A237 PolarHBondContact OG1-N 3.28Å; T234-Q238 PolarHBondContact O-N 2.93Å
235P87.8Confident84Confident108 Ų10846.1 Ų46.170%0.70124%0.241SC*.Hα-helixtrans-57.7-31.9179.4-26.434.4000113.4K239P235-K239 WeakPolarHBondContact O-CB 3.48Å; P235-K239 PolarHBondContact O-N 2.84Å
236L87Confident83Confident47 Ų4752.5 Ų52.525%0.24627%0.27CS..Hα-helixtrans-70.3-44.7178.1-17563.6000111.8V213 S215 T234 Q238 K239 F240V213-L236 HydrophobicContact CG1-CD2 4.05Å; V213-L236 HydrophobicContact CG1-CG 4.25Å; S215-L236 VanDerWaalsContact CB-CD2 3.44Å; T234-L236 PolarHBondContact O-N 3.33Å; T234-L236 VanDerWaalsContact O-N 3.15Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-Q238 PolarHBondContact O-N 3.12Å; L236-K239 PolarHBondContact O-N 3.36Å; L236-F240 HydrophobicContact CD1-CD2 4.16Å; L236-F240 HydrophobicContact CD1-CE2 3.74Å; L236-F240 HydrophobicContact CD2-CE2 4.23Å; L236-F240 HydrophobicContact CG-CD2 3.99Å; L236-F240 HydrophobicContact CG-CE2 3.74Å; L236-F240 VanDerWaalsContact O-CD2 3.22Å; L236-F240 WeakPolarHBondContact O-CD2 3.33Å; L236-F240 PolarHBondContact O-N 3.25Å
237A84.7Confident82.2Confident0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-60.7-43.6174.100000111V213 E221 V228 P232 T234 K239 F240 I241V213-A237 HydrophobicContact CG2-CB 4.17Å; E221-A237 WeakPolarHBondContact OE2-CB 3.42Å; V228-A237 HydrophobicContact CG1-CB 4.39Å; P232-A237 HydrophobicContact CB-CB 4.13Å; T234-A237 PolarHBondContact O-N 2.85Å; T234-A237 VanDerWaalsContact O-N 3.14Å; T234-A237 WeakPolarHBondContact OG1-CB 3.34Å; T234-A237 PolarHBondContact OG1-N 3.28Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.18Å; A237-F240 PolarHBondContact O-N 3.02Å; A237-I241 WeakPolarHBondContact O-CD1 3.29Å; A237-I241 WeakPolarHBondContact O-CG1 3.42Å; A237-I241 PolarHBondContact O-N 3.03Å
238Q84.2Confident81.7Confident54 Ų5455.6 Ų55.625%0.25229%0.286SS..Hα-helixtrans-57.6-45.8175-170-173-10.200111.6P232 T234 L236 F240 I241 Q242 K336P232-Q238 HydrophobicContact CB-CB 4.27Å; P232-Q238 HydrophobicContact CG-CB 4.23Å; P232-Q238 HydrophobicContact CG-CG 4.39Å; T234-Q238 PolarHBondContact O-N 2.93Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-Q238 PolarHBondContact O-N 3.12Å; Q238-F240 VanDerWaalsContact C-N 3.34Å; Q238-F240 PolarHBondContact O-N 3.45Å; Q238-I241 PolarHBondContact O-N 2.78Å; Q238-Q242 WeakPolarHBondContact O-CB 3.28Å; Q238-Q242 WeakPolarHBondContact O-CG 3.33Å; Q238-Q242 PolarHBondContact O-N 2.86Å; Q238-K336 VanDerWaalsContact NE2-NZ 3.15Å
239K84.6Confident81.6Confident148 Ų14857.5 Ų57.564%0.64330%0.296SS*.Hα-helixtrans-61.1-40.6177-174.2176.1-178.7175.40112.4P235 L236 A237 Q242 S243P235-K239 WeakPolarHBondContact O-CB 3.48Å; P235-K239 PolarHBondContact O-N 2.84Å; L236-K239 PolarHBondContact O-N 3.36Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.18Å; K239-Q242 PolarHBondContact O-N 3.24Å; K239-S243 PolarHBondContact O-N 2.92Å
240F82.4Confident81.8Confident28 Ų2859.6 Ų59.612%0.12331%0.31CS..Hα-helixtrans-65.6-41176-84.1-67.7000112.6I37 M201 V213 L236 A237 Q238 S243 T244I37-F240 HydrophobicContact CD1-CD1 3.79Å; I37-F240 HydrophobicContact CD1-CE1 4.19Å; I37-F240 HydrophobicContact CD1-CG 4.19Å; I37-F240 HydrophobicContact CG1-CD1 4.26Å; I37-F240 HydrophobicContact CG1-CE1 4.19Å; M201-F240 HydrophobicContact CE-CB 3.78Å; V213-F240 HydrophobicContact CG1-CD2 4.31Å; V213-F240 HydrophobicContact CG1-CE2 4.37Å; L236-F240 HydrophobicContact CD1-CD2 4.16Å; L236-F240 HydrophobicContact CD1-CE2 3.74Å; L236-F240 HydrophobicContact CD2-CE2 4.23Å; L236-F240 HydrophobicContact CG-CD2 3.99Å; L236-F240 HydrophobicContact CG-CE2 3.74Å; L236-F240 VanDerWaalsContact O-CD2 3.22Å; L236-F240 WeakPolarHBondContact O-CD2 3.33Å; L236-F240 PolarHBondContact O-N 3.25Å; A237-F240 PolarHBondContact O-N 3.02Å; Q238-F240 VanDerWaalsContact C-N 3.34Å; Q238-F240 PolarHBondContact O-N 3.45Å; F240-S243 PolarHBondContact O-N 2.85Å; F240-S243 PolarHBondContact O-OG 3.49Å; F240-T244 PolarHBondContact O-N 3.3Å
241I80.8Confident82.2Confident13 Ų1366.7 Ų66.77%0.06734%0.342CS..Hα-helixtrans-64.6-46.2176.2-65.6157.2000110M201 V228 F229 P232 A237 Q238 S243 T244 L245M201-I241 HydrophobicContact CE-CG1 4.5Å; V228-I241 HydrophobicContact CG1-CD1 4.3Å; V228-I241 WeakPolarHBondContact O-CD1 3.42Å; F229-I241 HydrophobicContact CD1-CG1 4.1Å; F229-I241 HydrophobicContact CD1-CG2 4Å; F229-I241 HydrophobicContact CE1-CG1 4.12Å; F229-I241 HydrophobicContact CE1-CG2 4.2Å; P232-I241 HydrophobicContact CB-CD1 3.65Å; P232-I241 HydrophobicContact CG-CD1 3.84Å; A237-I241 WeakPolarHBondContact O-CD1 3.29Å; A237-I241 WeakPolarHBondContact O-CG1 3.42Å; A237-I241 PolarHBondContact O-N 3.03Å; Q238-I241 PolarHBondContact O-N 2.78Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 2.82Å; I241-T244 WeakPolarHBondContact O-CB 3.2Å; I241-T244 PolarHBondContact O-N 2.95Å; I241-T244 PolarHBondContact O-OG1 2.66Å; I241-L245 HydrophobicContact CG2-CD1 4.12Å
242Q78.3Confident82.6Confident66 Ų6666.3 Ų66.331%0.30834%0.343SS..Hα-helixtrans-57.7-38.5175.6-74.9177.5-15.200111.7Q238 K239 T244 L245Q238-Q242 WeakPolarHBondContact O-CB 3.28Å; Q238-Q242 WeakPolarHBondContact O-CG 3.33Å; Q238-Q242 PolarHBondContact O-N 2.86Å; K239-Q242 PolarHBondContact O-N 3.24Å; Q242-T244 PolarHBondContact O-N 3.3Å; Q242-T244 VanDerWaalsContact O-N 3.12Å; Q242-L245 CarbonylContact O-C 3.5Å; Q242-L245 PolarHBondContact O-N 3.38Å
243S79.6Confident82.9Confident76 Ų7665.4 Ų65.453%0.53134%0.335SS..Hα-helixtrans-64.6-15.9176.473.50000114.7K239 F240 I241K239-S243 PolarHBondContact O-N 2.92Å; F240-S243 PolarHBondContact O-N 2.85Å; F240-S243 PolarHBondContact O-OG 3.49Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 2.82Å
244T76.8Confident83Confident8 Ų864.5 Ų64.55%0.04933%0.332CS..Hα-helixtrans-84.6-21171.1640000113.7M201 F240 I241 Q242 H246M201-T244 HydrophobicContact CB-CG2 3.29Å; M201-T244 HydrophobicContact CG-CG2 3.32Å; F240-T244 PolarHBondContact O-N 3.3Å; I241-T244 WeakPolarHBondContact O-CB 3.2Å; I241-T244 PolarHBondContact O-N 2.95Å; I241-T244 PolarHBondContact O-OG1 2.66Å; Q242-T244 PolarHBondContact O-N 3.3Å; Q242-T244 VanDerWaalsContact O-N 3.12Å; T244-H246 PolarHBondContact O-ND1 3.2Å
245L74.5Confident83.2Confident14 Ų1471.6 Ų71.67%0.07336%0.364CS..SBendtrans-98.2101.3-177.2-65.4159.6000106.3I241 Q242 L247 F309 I311I241-L245 HydrophobicContact CG2-CD1 4.12Å; Q242-L245 CarbonylContact O-C 3.5Å; Q242-L245 PolarHBondContact O-N 3.38Å; L245-L247 PolarHBondContact O-N 3.43Å; L245-F309 HydrophobicContact CD1-CD2 3.92Å; L245-F309 HydrophobicContact CD1-CE2 3.87Å; L245-F309 HydrophobicContact CD2-CD2 4.1Å; L245-F309 HydrophobicContact CD2-CE2 3.74Å; L245-F309 HydrophobicContact CG-CD2 4.46Å; L245-F309 HydrophobicContact CG-CE2 4.02Å; L245-I311 HydrophobicContact CB-CD1 4.01Å; L245-I311 HydrophobicContact CD1-CD1 3.32Å; L245-I311 HydrophobicContact CD1-CG1 3.78Å; L245-I311 HydrophobicContact CG-CD1 4.21Å
246H70.5Confident83.4Confident134 Ų13472.4 Ų72.462%0.6235%0.353SS*.  trans-80.578.8-175.9-65.969.7000108.4T244T244-H246 PolarHBondContact O-ND1 3.2Å
247L72.2Confident83.7Confident29 Ų2972.4 Ų72.415%0.15235%0.353CS..  trans-121.680.2177.4-87.3145.4000109.5L245 S298 Q300 I311 L313L245-L247 PolarHBondContact O-N 3.43Å; L247-S298 VanDerWaalsContact CD2-CB 3.45Å; L247-S298 WeakPolarHBondContact CD2-OG 3.49Å; L247-Q300 HydrophobicContact CD1-CB 4.02Å; L247-I311 HydrophobicContact CD1-CB 3.37Å; L247-I311 HydrophobicContact CD1-CG2 3.59Å; L247-I311 VanDerWaalsContact CD1-O 3.26Å; L247-I311 WeakPolarHBondContact CD1-O 3.43Å; L247-L313 HydrophobicContact CD2-CB 4.4Å; L247-L313 HydrophobicContact CD2-CD1 3.95Å; L247-L313 HydrophobicContact CD2-CG 3.84Å
248D78.1Confident84.1Confident135 Ų13577.1 Ų77.172%0.72238%0.375SS*.PPolyproline II helixtrans-83.3142.2166.1-62.1-44.5000109.1P250D248-P250 VanDerWaalsContact O-CD 3.32Å; D248-P250 WeakPolarHBondContact O-CD 3.24Å
249I85.2Confident84.5Confident40 Ų4078.7 Ų78.721%0.20540%0.397CS..PPolyproline II helixtrans-69.5120.8169.1-57.6174.3000106.4Q254 M268 L313 L340I249-Q254 HydrophobicContact CB-CG 3.82Å; I249-Q254 HydrophobicContact CG2-CG 3.55Å; I249-Q254 PolarHBondContact O-NE2 3.12Å; I249-M268 HydrophobicContact CG1-CE 4.23Å; I249-M268 HydrophobicContact CG2-CE 3.79Å; I249-M268 HydrophobicContact CG2-SD 4.36Å; I249-L313 HydrophobicContact CG1-CD1 4.28Å; I249-L340 HydrophobicContact CD1-CD1 3.91Å; I249-L340 HydrophobicContact CG1-CD1 4.29Å
250P88Confident84.8Confident47 Ų4778.7 Ų78.731%0.30540%0.399SS..PPolyproline II helixtrans-52.8143.7175.8-28.938.6000112D248 D252 Y253 Q254 I297D248-P250 VanDerWaalsContact O-CD 3.32Å; D248-P250 WeakPolarHBondContact O-CD 3.24Å; P250-D252 WeakPolarHBondContact CB-OD1 3.38Å; P250-D252 PolarHBondContact O-N 2.84Å; P250-Y253 HydrophobicContact CB-CD2 4.18Å; P250-Y253 HydrophobicContact CG-CD2 4.36Å; P250-Y253 WeakPolarHBondContact O-CA 3.26Å; P250-Y253 WeakPolarHBondContact O-CB 3.33Å; P250-Y253 PolarHBondContact O-N 2.88Å; P250-Q254 PolarHBondContact O-N 3.16Å; P250-I297 HydrophobicContact CG-CG2 3.98Å
251E89.9Confident85.2Confident158 Ų15880.8 Ų80.874%0.73842%0.416SS*.Hα-helixtrans-56.7-38.2-173.8-69.2-178.616900112.6Y253 Q254 E255E251-Y253 VanDerWaalsContact C-N 3.29Å; E251-Y253 PolarHBondContact O-N 3.48Å; E251-Q254 PolarHBondContact O-N 3.11Å; E251-Q254 VanDerWaalsContact O-N 3.12Å; E251-E255 PolarHBondContact O-N 2.82Å
252D89.9Confident85.8Confident89 Ų8983.8 Ų83.848%0.47643%0.429SS..Hα-helixtrans-62.8-33176.462.8-40.7000113.1P250 R256P250-D252 WeakPolarHBondContact CB-OD1 3.38Å; P250-D252 PolarHBondContact O-N 2.84Å; D252-R256 WeakPolarHBondContact O-CD 3.26Å; D252-R256 WeakPolarHBondContact O-CG 3.41Å
253Y90.3Very high86.3Confident25 Ų2586.4 Ų86.410%0.09845%0.449CS..Hα-helixtrans-73.1-42171.6-88.3-91.7000111.7P250 E251 E255 R256 L257 M268 I297 E315 V343P250-Y253 HydrophobicContact CB-CD2 4.18Å; P250-Y253 HydrophobicContact CG-CD2 4.36Å; P250-Y253 WeakPolarHBondContact O-CA 3.26Å; P250-Y253 WeakPolarHBondContact O-CB 3.33Å; P250-Y253 PolarHBondContact O-N 2.88Å; E251-Y253 VanDerWaalsContact C-N 3.29Å; E251-Y253 PolarHBondContact O-N 3.48Å; Y253-E255 VanDerWaalsContact C-N 3.29Å; Y253-E255 PolarHBondContact O-N 3.02Å; Y253-R256 PolarHBondContact O-N 3.41Å; Y253-R256 VanDerWaalsContact O-N 3.16Å; Y253-L257 VanDerWaalsContact O-CB 3.3Å; Y253-L257 WeakPolarHBondContact O-CB 3.48Å; Y253-L257 PolarHBondContact O-N 3.43Å; Y253-M268 HydrophobicContact CD1-CE 4.13Å; Y253-M268 HydrophobicContact CD1-SD 3.73Å; Y253-M268 HydrophobicContact CE1-SD 4.5Å; Y253-M268 HydrophobicContact CG-CE 4.44Å; Y253-M268 HydrophobicContact CG-SD 4.43Å; Y253-I297 HydrophobicContact CD1-CD1 3.77Å; Y253-I297 HydrophobicContact CD2-CG2 4.08Å; Y253-I297 HydrophobicContact CE1-CD1 3.32Å; Y253-I297 HydrophobicContact CE1-CG1 3.93Å; Y253-I297 HydrophobicContact CE2-CD1 4.28Å; Y253-I297 HydrophobicContact CE2-CG1 4.18Å; Y253-I297 HydrophobicContact CE2-CG2 3.82Å; Y253-I297 HydrophobicContact CG-CD1 4.44Å; Y253-E315 HydrophobicContact CE1-CG 4.13Å; Y253-E315 WeakPolarHBondContact CE1-OE1 3.48Å; Y253-E315 VanDerWaalsContact CZ-OE1 3.24Å; Y253-E315 PolarHBondContact OH-OE1 3.18Å; Y253-V343 HydrophobicContact CD1-CG1 4.1Å; Y253-V343 HydrophobicContact CE1-CG2 4.31Å
254Q90.3Very high86.7Confident113 Ų11390.3 Ų90.353%0.52846%0.464SS..Hα-helixtrans-60.6-38.8179.5-64.9-174.59.900112.1I249 P250 E251 R256I249-Q254 HydrophobicContact CB-CG 3.82Å; I249-Q254 HydrophobicContact CG2-CG 3.55Å; I249-Q254 PolarHBondContact O-NE2 3.12Å; P250-Q254 PolarHBondContact O-N 3.16Å; E251-Q254 PolarHBondContact O-N 3.11Å; E251-Q254 VanDerWaalsContact O-N 3.12Å; Q254-R256 VanDerWaalsContact C-N 3.31Å; Q254-R256 PolarHBondContact O-N 3.26Å
255E91.9Very high87.4Confident172 Ų17291.3 Ų91.380%0.80447%0.471SS*.Hα-helixtrans-67.6-30.4177.9-71-177.2175.800113.3E251 Y253E251-E255 PolarHBondContact O-N 2.82Å; Y253-E255 VanDerWaalsContact C-N 3.29Å; Y253-E255 PolarHBondContact O-N 3.02Å
256R92.1Very high88.4Confident124 Ų12491.8 Ų91.847%0.46848%0.475SS..Hα-helixtrans-90.6-20.1-178.8-68.3173.457.1-159.2-10113.4D252 Y253 Q254 Q258 V343D252-R256 WeakPolarHBondContact O-CD 3.26Å; D252-R256 WeakPolarHBondContact O-CG 3.41Å; Y253-R256 PolarHBondContact O-N 3.41Å; Y253-R256 VanDerWaalsContact O-N 3.16Å; Q254-R256 VanDerWaalsContact C-N 3.31Å; Q254-R256 PolarHBondContact O-N 3.26Å; R256-Q258 PolarHBondContact O-N 3.49Å; R256-V343 HydrophobicContact CB-CG1 4.49Å; R256-V343 PolarHBondContact NH2-OXT 2.95Å; R256-V343 VanDerWaalsContact NH2-OXT 3.09Å
257L93.3Very high89.6Confident47 Ų4786 Ų8625%0.24645%0.449CS..  trans-68.8119.1-173.6-166.769.5000111.4Y253 M268 L340 V343Y253-L257 VanDerWaalsContact O-CB 3.3Å; Y253-L257 WeakPolarHBondContact O-CB 3.48Å; Y253-L257 PolarHBondContact O-N 3.43Å; L257-M268 HydrophobicContact CD1-CB 4Å; L257-M268 HydrophobicContact CD1-SD 4.01Å; L257-L340 HydrophobicContact CD2-CB 4.44Å; L257-V343 HydrophobicContact CB-CG1 4.33Å; L257-V343 HydrophobicContact CD1-CG1 3.64Å
258Q93.1Very high90.7Very high100 Ų10084.7 Ų84.747%0.46744%0.442SS..BIsolated β-bridgetrans-105.7141.9172.2-59.8-167.22.100110.6R256 F262 G341 Y342R256-Q258 PolarHBondContact O-N 3.49Å; Q258-F262 HydrophobicContact CB-CD1 4.17Å; Q258-F262 HydrophobicContact CB-CE1 4.13Å; Q258-F262 HydrophobicContact CG-CD1 4.27Å; Q258-F262 HydrophobicContact CG-CE1 4.06Å; Q258-G341 CarbonylContact O-C 3.55Å; Q258-G341 WeakPolarHBondContact O-CA 3.25Å; Q258-Y342 PolarHBondContact N-O 3.03Å; Q258-Y342 PolarHBondContact O-N 2.84Å
259A92.6Very high91.5Very high87 Ų8778.2 Ų78.272%0.71941%0.408SS*.SBendtrans-70.6-35.7179.100000112.4
260E91.8Very high91.9Very high147 Ų14778.4 Ų78.469%0.68741%0.406SS*.SBendtrans-101.7143.5-178.8-65.8-65.8161.600110.7
261P91Very high92.1Very high72 Ų7276.2 Ų76.247%0.46839%0.391SS..  trans-67.2139176.927.8-33.1000111.2Y342P261-Y342 HydrophobicContact CB-CD1 4.07Å; P261-Y342 HydrophobicContact CB-CD2 4.1Å; P261-Y342 HydrophobicContact CB-CE1 3.98Å; P261-Y342 HydrophobicContact CB-CE2 4.01Å; P261-Y342 HydrophobicContact CB-CG 4.14Å; P261-Y342 HydrophobicContact CG-CE2 4.27Å
262F91.8Very high92Very high76 Ų7669.7 Ų69.733%0.33336%0.361SS..  trans-121.9170.1174.859.9-87.3000111.3Q258 D264 C265Q258-F262 HydrophobicContact CB-CD1 4.17Å; Q258-F262 HydrophobicContact CB-CE1 4.13Å; Q258-F262 HydrophobicContact CG-CD1 4.27Å; Q258-F262 HydrophobicContact CG-CE1 4.06Å; F262-D264 PolarHBondContact O-N 3.06Å; F262-C265 HydrophobicContact CD1-CB 3.61Å; F262-C265 HydrophobicContact CD2-CB 3.73Å; F262-C265 HydrophobicContact CE1-CB 3.45Å; F262-C265 VanDerWaalsContact CE1-CB 3.45Å; F262-C265 HydrophobicContact CE2-CB 3.57Å; F262-C265 HydrophobicContact CG-CB 3.74Å; F262-C265 HydrophobicContact CZ-CB 3.42Å; F262-C265 VanDerWaalsContact CZ-CB 3.42Å; F262-C265 PolarHBondContact N-SG 2.85Å; F262-C265 VanDerWaalsContact N-SG 3.37Å; F262-C265 WeakPolarHBondContact O-CB 3.34Å; F262-C265 PolarHBondContact O-N 3.23Å; F262-C265 PolarHBondContact O-SG 2.86Å
263T88.6Confident91.7Very high121 Ų12166.2 Ų66.274%0.74234%0.342SS*.THydrogen-bonded Turntrans-62.1133.6178.9-50.70000110.4C265T263-C265 PolarHBondContact O-N 3.32Å
264D88.7Confident91Very high159 Ų15967 Ų6785%0.8535%0.349SS*.THydrogen-bonded Turntrans63.119.6-176.9-53.3-37.3000115.5F262F262-D264 PolarHBondContact O-N 3.06Å
265C92.4Very high90.1Very high29 Ų2963.2 Ų63.220%0.19634%0.34CS..  trans-78.8159173.976.60000113.1F262 T263F262-C265 HydrophobicContact CD1-CB 3.61Å; F262-C265 HydrophobicContact CD2-CB 3.73Å; F262-C265 HydrophobicContact CE1-CB 3.45Å; F262-C265 VanDerWaalsContact CE1-CB 3.45Å; F262-C265 HydrophobicContact CE2-CB 3.57Å; F262-C265 HydrophobicContact CG-CB 3.74Å; F262-C265 HydrophobicContact CZ-CB 3.42Å; F262-C265 VanDerWaalsContact CZ-CB 3.42Å; F262-C265 PolarHBondContact N-SG 2.85Å; F262-C265 VanDerWaalsContact N-SG 3.37Å; F262-C265 WeakPolarHBondContact O-CB 3.34Å; F262-C265 PolarHBondContact O-N 3.23Å; F262-C265 PolarHBondContact O-SG 2.86Å; T263-C265 PolarHBondContact O-N 3.32Å
266V94.4Very high88.9Confident23 Ų2362.6 Ų62.614%0.13934%0.338CS..  trans-123.2137.8171-63.60000111.8M268 E315 Y342 V343V266-M268 PolarHBondContact O-N 2.85Å; V266-E315 HydrophobicContact CG2-CB 4.27Å; V266-Y342 VanDerWaalsContact O-CA 3.32Å; V266-Y342 WeakPolarHBondContact O-CA 3.44Å; V266-V343 HydrophobicContact CG2-CG2 3.61Å; V266-V343 PolarHBondContact N-O 3.41Å; V266-V343 PolarHBondContact O-N 3.19Å
267P96Very high88Confident14 Ų1456.9 Ų56.99%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-68.3130.5177.527.6-34.9000111.2L269 E315 M316 T323 V339 Y342P267-L269 HydrophobicContact CB-CD2 4.1Å; P267-E315 WeakPolarHBondContact O-CA 3.4Å; P267-M316 VanDerWaalsContact CD-O 3.32Å; P267-M316 WeakPolarHBondContact CD-O 3.46Å; P267-M316 HydrophobicContact CG-CB 4.28Å; P267-M316 WeakPolarHBondContact CG-O 3.48Å; P267-M316 PolarHBondContact O-N 3.38Å; P267-M316 VanDerWaalsContact O-N 3.09Å; P267-T323 HydrophobicContact CG-CG2 4.4Å; P267-V339 HydrophobicContact CB-CG1 4.42Å; P267-Y342 HydrophobicContact CB-CD1 4.11Å; P267-Y342 HydrophobicContact CB-CE1 4.01Å
268M95.5Very high86.9Confident0 Ų055.8 Ų55.80%031%0.312CS..EExtended strand (participates in β ladder)trans-91.4123.3166.8-174.7176.7179.200109.2I249 Y253 L257 V266 I297 L313 L340 G341I249-M268 HydrophobicContact CG1-CE 4.23Å; I249-M268 HydrophobicContact CG2-CE 3.79Å; I249-M268 HydrophobicContact CG2-SD 4.36Å; Y253-M268 HydrophobicContact CD1-CE 4.13Å; Y253-M268 HydrophobicContact CD1-SD 3.73Å; Y253-M268 HydrophobicContact CE1-SD 4.5Å; Y253-M268 HydrophobicContact CG-CE 4.44Å; Y253-M268 HydrophobicContact CG-SD 4.43Å; L257-M268 HydrophobicContact CD1-CB 4Å; L257-M268 HydrophobicContact CD1-SD 4.01Å; V266-M268 PolarHBondContact O-N 2.85Å; M268-I297 HydrophobicContact CE-CD1 3.52Å; M268-I297 HydrophobicContact CG-CD1 4.04Å; M268-I297 HydrophobicContact SD-CD1 4.1Å; M268-L313 HydrophobicContact CE-CB 4.27Å; M268-L313 HydrophobicContact CE-CD1 4.22Å; M268-L313 HydrophobicContact CE-CD2 4.27Å; M268-L313 HydrophobicContact CE-CG 4.49Å; M268-L340 HydrophobicContact CE-CD1 4.14Å; M268-L340 HydrophobicContact CG-CD1 4.31Å; M268-L340 PolarHBondContact O-N 3.34Å; M268-L340 HydrophobicContact SD-CD1 4.44Å; M268-G341 PolarHBondContact N-O 3.07Å
269L95.4Very high86Confident0 Ų056.8 Ų56.80%032%0.32CS..EExtended strand (participates in β ladder)trans-116.2138.5-172.7-52.8179.8000111.1P267 L271 L313 T314 M316 I327 V337 E338 V339P267-L269 HydrophobicContact CB-CD2 4.1Å; L269-L271 HydrophobicContact CB-CD2 4.01Å; L269-L271 HydrophobicContact CB-CG 4.46Å; L269-L271 HydrophobicContact CD1-CD2 4.38Å; L269-L313 WeakPolarHBondContact O-CA 3.34Å; L269-T314 PolarHBondContact N-O 2.96Å; L269-T314 PolarHBondContact O-N 2.83Å; L269-M316 HydrophobicContact CD1-CB 3.78Å; L269-M316 HydrophobicContact CD1-CE 3.62Å; L269-M316 HydrophobicContact CD1-SD 4.07Å; L269-M316 HydrophobicContact CG-CB 4.5Å; L269-I327 HydrophobicContact CD1-CD1 4.1Å; L269-I327 HydrophobicContact CD1-CG1 3.87Å; L269-I327 HydrophobicContact CD2-CD1 3.9Å; L269-I327 HydrophobicContact CD2-CG1 4.42Å; L269-V337 HydrophobicContact CB-CG1 4.45Å; L269-V337 HydrophobicContact CD1-CG1 4.33Å; L269-V337 HydrophobicContact CD2-CG1 4.24Å; L269-E338 CarbonylContact C-O 3.57Å; L269-E338 WeakPolarHBondContact CA-O 3.48Å; L269-V339 HydrophobicContact CD2-CB 4.23Å; L269-V339 HydrophobicContact CD2-CG1 4.36Å; L269-V339 HydrophobicContact CD2-CG2 3.69Å
270R93Very high85.5Confident44 Ų4454.6 Ų54.617%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-97.1121.4159.4-169.4175.785-126.8-2.7108.7E272 I311 M312 L313 V337 E338 L340R270-E272 IonicContact CZ-OE1 2.63Å; R270-E272 VanDerWaalsContact CZ-OE1 3.26Å; R270-E272 IonicContact NE-OE1 2.97Å; R270-E272 PolarHBondContact NE-OE1 2.85Å; R270-E272 IonicContact NH2-OE1 2.96Å; R270-E272 PolarHBondContact NH2-OE1 3.03Å; R270-I311 HydrophobicContact CG-CG2 3.72Å; R270-M312 WeakPolarHBondContact CA-O 3.22Å; R270-L313 HydrophobicContact CB-CD2 3.95Å; R270-L313 HydrophobicContact CG-CD2 4.03Å; R270-V337 WeakPolarHBondContact O-CA 3.22Å; R270-E338 HydrophobicContact CB-CB 4.35Å; R270-E338 IonicContact CZ-OE1 3.51Å; R270-E338 IonicContact CZ-OE2 2.6Å; R270-E338 PolarHBondContact N-O 3.26Å; R270-E338 IonicContact NH1-OE1 2.56Å; R270-E338 PolarHBondContact NH1-OE1 3.25Å; R270-E338 IonicContact NH1-OE2 2.8Å; R270-E338 PolarHBondContact NH1-OE2 3.44Å; R270-E338 IonicContact NH2-OE2 3.95Å; R270-E338 PolarHBondContact NH2-OE2 3Å; R270-E338 PolarHBondContact O-N 3.36Å; R270-L340 HydrophobicContact CB-CD1 4.17Å; R270-L340 HydrophobicContact CB-CD2 4.22Å; R270-L340 HydrophobicContact CB-CG 4.21Å
271L91.9Very high85.5Confident0 Ų051.9 Ų51.90%030%0.297CS..EExtended strand (participates in β ladder)trans-110.6115.7178.5-50.6179.8000108.5L269 F273 L283 I311 M312 T314 L330 V335 V337L269-L271 HydrophobicContact CB-CD2 4.01Å; L269-L271 HydrophobicContact CB-CG 4.46Å; L269-L271 HydrophobicContact CD1-CD2 4.38Å; L271-F273 HydrophobicContact CB-CD2 4.46Å; L271-F273 HydrophobicContact CB-CE2 3.66Å; L271-F273 HydrophobicContact CB-CZ 3.97Å; L271-F273 HydrophobicContact CD1-CE2 4.45Å; L271-F273 HydrophobicContact CD1-CZ 4.14Å; L271-L283 HydrophobicContact CD1-CD1 4.24Å; L271-L283 HydrophobicContact CD1-CD2 3.74Å; L271-L283 HydrophobicContact CD1-CG 4.47Å; L271-I311 CarbonylContact O-C 3.58Å; L271-I311 VanDerWaalsContact O-CA 3.26Å; L271-I311 WeakPolarHBondContact O-CA 3.44Å; L271-M312 HydrophobicContact CB-CB 4.31Å; L271-M312 PolarHBondContact N-O 2.94Å; L271-M312 PolarHBondContact O-N 3.31Å; L271-T314 HydrophobicContact CD1-CG2 3.9Å; L271-L330 HydrophobicContact CD2-CD1 4.24Å; L271-V335 HydrophobicContact CB-CG1 4Å; L271-V335 HydrophobicContact CD2-CG1 4.39Å; L271-V337 HydrophobicContact CD2-CB 4.22Å; L271-V337 HydrophobicContact CD2-CG1 3.79Å; L271-V337 HydrophobicContact CD2-CG2 3.76Å
272E87.9Confident85.6Confident22 Ų2248.9 Ų48.910%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-103.5121.3172.5-43.6-179.1176.900109.2R270 I311 K336R270-E272 IonicContact CZ-OE1 2.63Å; R270-E272 VanDerWaalsContact CZ-OE1 3.26Å; R270-E272 IonicContact NE-OE1 2.97Å; R270-E272 PolarHBondContact NE-OE1 2.85Å; R270-E272 IonicContact NH2-OE1 2.96Å; R270-E272 PolarHBondContact NH2-OE1 3.03Å; E272-I311 HydrophobicContact CB-CG1 4.13Å; E272-I311 HydrophobicContact CG-CD1 4.18Å; E272-I311 HydrophobicContact CG-CG1 3.94Å; E272-I311 HydrophobicContact CG-CG2 4.34Å; E272-K336 HydrophobicContact CB-CB 4.13Å; E272-K336 PolarHBondContact N-O 3.46Å; E272-K336 PolarHBondContact O-N 3.01Å; E272-K336 WeakPolarHBondContact OE2-CD 3.47Å; E272-K336 IonicContact OE2-NZ 2.89Å
273F84.8Confident85.6Confident16 Ų1646.6 Ų46.67%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-103.9123.2178.9-58-94.3000109.2L271 V278 L282 F309 G310 M312 V335L271-F273 HydrophobicContact CB-CD2 4.46Å; L271-F273 HydrophobicContact CB-CE2 3.66Å; L271-F273 HydrophobicContact CB-CZ 3.97Å; L271-F273 HydrophobicContact CD1-CE2 4.45Å; L271-F273 HydrophobicContact CD1-CZ 4.14Å; F273-V278 HydrophobicContact CB-CG2 3.95Å; F273-L282 HydrophobicContact CE1-CD1 4.35Å; F273-F309 VanDerWaalsContact O-CA 3.31Å; F273-F309 WeakPolarHBondContact O-CA 3.33Å; F273-G310 PolarHBondContact N-O 3.34Å; F273-G310 PolarHBondContact O-N 2.97Å; F273-M312 HydrophobicContact CE2-CB 3.97Å; F273-M312 HydrophobicContact CE2-CE 4.44Å; F273-V335 HydrophobicContact CD1-CG1 4.31Å; F273-V335 HydrophobicContact CD1-CG2 3.78Å; F273-V335 HydrophobicContact CE1-CG1 4.12Å; F273-V335 HydrophobicContact CE1-CG2 3.75Å; F273-V335 HydrophobicContact CZ-CG1 4.35Å
274T75.4Confident85.9Confident40 Ų4044 Ų4425%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-127.2136.9177.656.40000110.5S230 Q276 S277S230-T274 WeakPolarHBondContact O-CB 3.45Å; S230-T274 WeakPolarHBondContact O-CG2 3.45Å; T274-Q276 PolarHBondContact O-N 3Å; T274-S277 PolarHBondContact N-OG 2.88Å; T274-S277 PolarHBondContact O-N 3.14Å; T274-S277 PolarHBondContact O-OG 3.4Å
275G69.8Low86.2Confident34 Ų3438.6 Ų38.635%0.35123%0.225SC..THydrogen-bonded Turntrans53.6-92.2165.900000115.3K308G275-K308 PolarHBondContact N-O 2.82Å
276Q68.2Low86.4Confident160 Ų16037.2 Ų37.275%0.74822%0.215SC*.THydrogen-bonded Turntrans-74.3-28.9-170-61.1-176.57.100114.3T274T274-Q276 PolarHBondContact O-N 3Å
277S71.7Confident86.5Confident4 Ų437.9 Ų37.93%0.02822%0.223CC..SBendtrans-88.3-11.2-174.155.90000113.9T274 D279 A280 H333 H334T274-S277 PolarHBondContact N-OG 2.88Å; T274-S277 PolarHBondContact O-N 3.14Å; T274-S277 PolarHBondContact O-OG 3.4Å; S277-D279 PolarHBondContact O-N 2.75Å; S277-A280 PolarHBondContact O-N 3.43Å; S277-H333 VanDerWaalsContact CB-O 3.29Å; S277-H333 WeakPolarHBondContact CB-O 3.42Å; S277-H334 PolarHBondContact OG-O 3.15Å
278V70.6Confident86.4Confident24 Ų2444.8 Ų44.815%0.14525%0.247CC..THydrogen-bonded Turntrans-72.5-33.6-163.5-178.30000113.9F273 M301 K308F273-V278 HydrophobicContact CB-CG2 3.95Å; V278-M301 HydrophobicContact CB-CE 4.46Å; V278-M301 HydrophobicContact CG1-CE 3.16Å; V278-K308 HydrophobicContact CB-CB 3.94Å; V278-K308 HydrophobicContact CG1-CB 3.36Å; V278-K308 HydrophobicContact CG1-CD 3.89Å; V278-K308 HydrophobicContact CG1-CG 4.24Å; V278-K308 HydrophobicContact CG2-CB 4.18Å; V278-K308 WeakPolarHBondContact CG2-O 3.34Å
279D75Confident86.5Confident121 Ų12151.4 Ų51.465%0.64727%0.272SS*.THydrogen-bonded Turntrans-93-4.7178.9-74.1-18.2000113.3S277 K308S277-D279 PolarHBondContact O-N 2.75Å; D279-K308 WeakPolarHBondContact OD1-CE 3.19Å; D279-K308 IonicContact OD1-NZ 3.01Å; D279-K308 PolarHBondContact OD1-NZ 2.89Å; D279-K308 IonicContact OD2-NZ 3.92Å; D279-K308 PolarHBondContact OD2-NZ 2.63Å
280A82.6Confident86.5Confident41 Ų4153.4 Ų53.434%0.33928%0.281SS..SBendtrans-78.8133.8177.200000109.8S277 L282S277-A280 PolarHBondContact O-N 3.43Å; A280-L282 HydrophobicContact CB-CD1 4.38Å; A280-L282 HydrophobicContact CB-CD2 3.6Å; A280-L282 HydrophobicContact CB-CG 3.69Å; A280-L282 PolarHBondContact O-N 2.87Å
281P91Very high86.6Confident89 Ų8957.3 Ų57.358%0.57831%0.305SS*.  trans-77.252.9179.533.6-37.2000111.7L283 S284 E285P281-L283 PolarHBondContact O-N 2.89Å; P281-S284 PolarHBondContact O-N 3.5Å; P281-S284 VanDerWaalsContact O-N 3.16Å; P281-E285 PolarHBondContact O-N 2.8Å
282L92.8Very high86.9Confident9 Ų957.3 Ų57.35%0.04731%0.305CS..Hα-helixtrans-60.5-45.9-166.1-62.7-178.9000112.6F273 A280 S284 E285 T286 W329 L330 H333 V335F273-L282 HydrophobicContact CE1-CD1 4.35Å; A280-L282 HydrophobicContact CB-CD1 4.38Å; A280-L282 HydrophobicContact CB-CD2 3.6Å; A280-L282 HydrophobicContact CB-CG 3.69Å; A280-L282 PolarHBondContact O-N 2.87Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 2.86Å; L282-E285 PolarHBondContact O-N 3.49Å; L282-E285 VanDerWaalsContact O-N 3.14Å; L282-T286 WeakPolarHBondContact O-CG2 3.37Å; L282-T286 PolarHBondContact O-N 3.39Å; L282-T286 PolarHBondContact O-OG1 3.33Å; L282-W329 HydrophobicContact CB-CZ3 4.1Å; L282-W329 HydrophobicContact CD2-CH2 3.69Å; L282-W329 HydrophobicContact CD2-CZ3 3.85Å; L282-L330 HydrophobicContact CB-CD2 3.81Å; L282-L330 HydrophobicContact CD1-CD2 4.47Å; L282-H333 HydrophobicContact CD1-CB 4.06Å; L282-H333 HydrophobicContact CD2-CB 3.85Å; L282-V335 HydrophobicContact CD1-CG2 3.33Å
283L93Very high87.3Confident28 Ų2861.7 Ų61.715%0.14733%0.329CS..Hα-helixtrans-68.1-31.6179.1-66.9-178.4000113.5L271 P281 E285 T286 A287 N294 M312 T314 L330L271-L283 HydrophobicContact CD1-CD1 4.24Å; L271-L283 HydrophobicContact CD1-CD2 3.74Å; L271-L283 HydrophobicContact CD1-CG 4.47Å; P281-L283 PolarHBondContact O-N 2.89Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-T286 WeakPolarHBondContact CA-OG1 3.48Å; L283-T286 PolarHBondContact O-OG1 3.11Å; L283-A287 PolarHBondContact O-N 3.01Å; L283-N294 HydrophobicContact CD2-CB 4.41Å; L283-N294 PolarHBondContact O-ND2 2.87Å; L283-N294 VanDerWaalsContact O-ND2 3.11Å; L283-M312 HydrophobicContact CD1-CE 4.02Å; L283-M312 HydrophobicContact CD1-SD 3.41Å; L283-M312 WeakPolarHBondContact CD1-SD 3.48Å; L283-T314 HydrophobicContact CD1-CG2 4.48Å; L283-L330 HydrophobicContact CD2-CD1 4.27Å; L283-L330 HydrophobicContact CD2-CD2 4.4Å
284S94.6Very high87.9Confident66 Ų6662.5 Ų62.546%0.46233%0.334SS..Hα-helixtrans-71.5-32.7173.2-64.20000111.4P281 L282 R288P281-S284 PolarHBondContact O-N 3.5Å; P281-S284 VanDerWaalsContact O-N 3.16Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 2.86Å; S284-R288 VanDerWaalsContact O-CZ 3.25Å; S284-R288 PolarHBondContact O-N 2.93Å; S284-R288 PolarHBondContact O-NH1 3.5Å
285E94.7Very high88.8Confident47 Ų4764.1 Ų64.122%0.2234%0.342CS..Hα-helixtrans-74.7-39.8177.3-167.266.3-175.500112P281 L282 L283 A287 R288 R289 W329P281-E285 PolarHBondContact O-N 2.8Å; L282-E285 PolarHBondContact O-N 3.49Å; L282-E285 VanDerWaalsContact O-N 3.14Å; L283-E285 VanDerWaalsContact C-N 3.32Å; E285-A287 VanDerWaalsContact C-N 3.31Å; E285-A287 PolarHBondContact O-N 3.13Å; E285-R288 PolarHBondContact O-N 3.09Å; E285-R288 IonicContact OE2-CZ 2.96Å; E285-R288 IonicContact OE2-NE 2.81Å; E285-R288 PolarHBondContact OE2-NE 3.26Å; E285-R288 IonicContact OE2-NH2 2.71Å; E285-R288 PolarHBondContact OE2-NH2 2.91Å; E285-R289 HydrophobicContact CG-CG 4.27Å; E285-R289 VanDerWaalsContact CG-NE 3.35Å; E285-R289 WeakPolarHBondContact O-CB 3.34Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 2.58Å; E285-R289 IonicContact OE1-CZ 3.7Å; E285-R289 IonicContact OE1-NE 3.26Å; E285-R289 PolarHBondContact OE1-NE 3.36Å; E285-R289 IonicContact OE1-NH2 2.82Å; E285-R289 PolarHBondContact OE1-NH2 3.12Å; E285-W329 HydrophobicContact CB-CH2 3.73Å; E285-W329 HydrophobicContact CB-CZ2 4.47Å; E285-W329 HydrophobicContact CB-CZ3 4.29Å; E285-W329 HydrophobicContact CG-CH2 3.63Å; E285-W329 HydrophobicContact CG-CZ2 3.87Å
286T95.5Very high90Very high0 Ų066.8 Ų66.80%035%0.347CS..Hα-helixtrans-61.5-41.2174.354.30000111.6L282 L283 R288 R289 F290 N294 A326 W329 L330L282-T286 WeakPolarHBondContact O-CG2 3.37Å; L282-T286 PolarHBondContact O-N 3.39Å; L282-T286 PolarHBondContact O-OG1 3.33Å; L283-T286 WeakPolarHBondContact CA-OG1 3.48Å; L283-T286 PolarHBondContact O-OG1 3.11Å; T286-R288 VanDerWaalsContact C-N 3.29Å; T286-R288 PolarHBondContact O-N 3.11Å; T286-R289 PolarHBondContact O-N 3.05Å; T286-F290 HydrophobicContact CG2-CD2 4.31Å; T286-F290 HydrophobicContact CG2-CE2 4.45Å; T286-F290 PolarHBondContact O-N 3.45Å; T286-N294 PolarHBondContact OG1-ND2 2.78Å; T286-N294 VanDerWaalsContact OG1-ND2 3.16Å; T286-A326 HydrophobicContact CG2-CB 4.32Å; T286-W329 HydrophobicContact CG2-CD2 4.38Å; T286-W329 HydrophobicContact CG2-CE3 3.34Å; T286-W329 HydrophobicContact CG2-CZ3 3.61Å; T286-L330 HydrophobicContact CG2-CD1 4.39Å; T286-L330 HydrophobicContact CG2-CD2 3.89Å; T286-L330 HydrophobicContact CG2-CG 3.89Å
287A96.3Very high91.2Very high36 Ų3661 Ų6130%0.29832%0.321SS..Hα-helixtrans-59.1-39.9177.800000112.7L283 E285 N291 V292L283-A287 PolarHBondContact O-N 3.01Å; E285-A287 VanDerWaalsContact C-N 3.31Å; E285-A287 PolarHBondContact O-N 3.13Å; A287-N291 WeakPolarHBondContact O-CA 3.11Å; A287-N291 PolarHBondContact O-N 3.28Å; A287-V292 WeakPolarHBondContact CA-O 3.48Å; A287-V292 WeakPolarHBondContact CB-O 3.38Å
288R95.4Very high92.1Very high160 Ų16062.6 Ų62.660%0.60433%0.332SS*.Hα-helixtrans-75.4-40.5176.9-70.7-175.1-68.9-92.52.4113.4S284 E285 T286S284-R288 VanDerWaalsContact O-CZ 3.25Å; S284-R288 PolarHBondContact O-N 2.93Å; S284-R288 PolarHBondContact O-NH1 3.5Å; E285-R288 PolarHBondContact O-N 3.09Å; E285-R288 IonicContact OE2-CZ 2.96Å; E285-R288 IonicContact OE2-NE 2.81Å; E285-R288 PolarHBondContact OE2-NE 3.26Å; E285-R288 IonicContact OE2-NH2 2.71Å; E285-R288 PolarHBondContact OE2-NH2 2.91Å; T286-R288 VanDerWaalsContact C-N 3.29Å; T286-R288 PolarHBondContact O-N 3.11Å
289R96.3Very high93Very high138 Ų13864 Ų6452%0.52135%0.346SS..Hα-helixtrans-79.1-40.5-172.4-73.9-173.9-175-169.17113.7E285 T286 W329E285-R289 HydrophobicContact CG-CG 4.27Å; E285-R289 VanDerWaalsContact CG-NE 3.35Å; E285-R289 WeakPolarHBondContact O-CB 3.34Å; E285-R289 WeakPolarHBondContact O-CG 3.49Å; E285-R289 PolarHBondContact O-N 2.58Å; E285-R289 IonicContact OE1-CZ 3.7Å; E285-R289 IonicContact OE1-NE 3.26Å; E285-R289 PolarHBondContact OE1-NE 3.36Å; E285-R289 IonicContact OE1-NH2 2.82Å; E285-R289 PolarHBondContact OE1-NH2 3.12Å; T286-R289 PolarHBondContact O-N 3.05Å; R289-W329 VanDerWaalsContact NH1-NE1 3.1Å
290F96.6Very high93.6Very high42 Ų4261 Ų6118%0.18433%0.328CS..Hα-helixtrans-1144.9-171.4-54-71.9000112.6T286 V292 D322 A325 A326 W329T286-F290 HydrophobicContact CG2-CD2 4.31Å; T286-F290 HydrophobicContact CG2-CE2 4.45Å; T286-F290 PolarHBondContact O-N 3.45Å; F290-V292 HydrophobicContact CB-CG1 4.13Å; F290-V292 HydrophobicContact CB-CG2 4.44Å; F290-V292 PolarHBondContact O-N 2.88Å; F290-D322 WeakPolarHBondContact O-CB 3.47Å; F290-A325 HydrophobicContact CD1-CB 3.68Å; F290-A325 HydrophobicContact CE1-CB 3.86Å; F290-A325 HydrophobicContact CG-CB 4.45Å; F290-A326 HydrophobicContact CB-CB 4.11Å; F290-A326 HydrophobicContact CD2-CB 3.8Å; F290-A326 HydrophobicContact CG-CB 4.09Å; F290-W329 HydrophobicContact CE2-CB 3.52Å; F290-W329 AromaticContact CE2-CD2 3.92Å; F290-W329 HydrophobicContact CE2-CD2 3.92Å; F290-W329 HydrophobicContact CE2-CE3 4.41Å; F290-W329 AromaticContact CE2-CG 3.52Å; F290-W329 HydrophobicContact CE2-CG 3.52Å; F290-W329 HydrophobicContact CZ-CB 3.56Å; F290-W329 AromaticContact CZ-CD1 3.83Å; F290-W329 HydrophobicContact CZ-CD2 4.43Å; F290-W329 AromaticContact CZ-CG 3.63Å; F290-W329 HydrophobicContact CZ-CG 3.63Å
291N95.7Very high93.8Very high127 Ų12763.4 Ų63.468%0.67933%0.333SS*.  trans55.137.2-179.2-165.447.2000112.9A287A287-N291 WeakPolarHBondContact O-CA 3.11Å; A287-N291 PolarHBondContact O-N 3.28Å
292V97Very high93.5Very high0 Ų061.3 Ų61.30%032%0.317CS..  trans-99145.3176.2-63.30000111.1A287 F290 M316 H317 D322 T323 A326A287-V292 WeakPolarHBondContact CA-O 3.48Å; A287-V292 WeakPolarHBondContact CB-O 3.38Å; F290-V292 HydrophobicContact CB-CG1 4.13Å; F290-V292 HydrophobicContact CB-CG2 4.44Å; F290-V292 PolarHBondContact O-N 2.88Å; V292-M316 HydrophobicContact CB-CG 4.01Å; V292-M316 HydrophobicContact CG1-CG 4.24Å; V292-M316 HydrophobicContact CG1-SD 4.4Å; V292-M316 HydrophobicContact CG2-CG 4.36Å; V292-H317 CarbonylContact C-O 3.49Å; V292-H317 VanDerWaalsContact CA-O 3.22Å; V292-H317 WeakPolarHBondContact CA-O 3.36Å; V292-D322 HydrophobicContact CG1-CB 3.95Å; V292-T323 HydrophobicContact CG1-CG2 4.39Å; V292-A326 HydrophobicContact CG1-CB 4.05Å; V292-A326 HydrophobicContact CG2-CB 3.95Å
293N96.7Very high92.9Very high113 Ų11367.5 Ų67.560%0.60434%0.341SS*.EExtended strand (participates in β ladder)trans-105.7120.8170.6-61.5-52.8000109.6H317N293-H317 HydrophobicContact CB-CB 4.13Å; N293-H317 PolarHBondContact N-O 2.82Å; N293-H317 PolarHBondContact O-N 2.84Å
294N96.3Very high92.5Very high33 Ų3366.2 Ų66.218%0.17633%0.334CS..EExtended strand (participates in β ladder)trans-95.5108.4178.1-55.3-72.5000109L283 T286 E315 M316L283-N294 HydrophobicContact CD2-CB 4.41Å; L283-N294 PolarHBondContact O-ND2 2.87Å; L283-N294 VanDerWaalsContact O-ND2 3.11Å; T286-N294 PolarHBondContact OG1-ND2 2.78Å; T286-N294 VanDerWaalsContact OG1-ND2 3.16Å; N294-E315 CarbonylContact C-O 3.52Å; N294-E315 WeakPolarHBondContact CA-O 3.42Å; N294-M316 WeakPolarHBondContact OD1-CE 3.48Å
295N95.5Very high91.6Very high75 Ų7565 Ų6540%0.40133%0.333SS..EExtended strand (participates in β ladder)trans-90.3118.9173.5-173.326.7000109I297 T314 E315N295-I297 PolarHBondContact O-N 3.05Å; N295-T314 CarbonylContact O-C 3.5Å; N295-T314 WeakPolarHBondContact O-CA 3.47Å; N295-T314 WeakPolarHBondContact O-CB 3.5Å; N295-E315 HydrophobicContact CB-CB 4.09Å; N295-E315 HydrophobicContact CB-CG 4.43Å; N295-E315 PolarHBondContact N-O 2.93Å; N295-E315 PolarHBondContact ND2-OE2 2.86Å; N295-E315 PolarHBondContact O-N 3.49Å
296I95.1Very high90.9Very high90 Ų9066.5 Ų66.546%0.46236%0.36SS..EExtended strand (participates in β ladder)trans-88.4112.1-176-57.9175.2000108.9A299 M312 T314I296-A299 HydrophobicContact CG2-CB 3.87Å; I296-M312 HydrophobicContact CB-SD 4.42Å; I296-M312 HydrophobicContact CD1-CE 4.24Å; I296-M312 HydrophobicContact CD1-SD 3.88Å; I296-M312 HydrophobicContact CG1-SD 3.77Å; I296-M312 HydrophobicContact CG2-CG 3.92Å; I296-M312 HydrophobicContact CG2-SD 3.91Å; I296-T314 HydrophobicContact CG1-CG2 4.33Å
297I92.7Very high90.1Very high37 Ų3768.2 Ų68.219%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-79.8-48.9177.8-56.5165.4000109.4P250 Y253 M268 N295 L313 E315P250-I297 HydrophobicContact CG-CG2 3.98Å; Y253-I297 HydrophobicContact CD1-CD1 3.77Å; Y253-I297 HydrophobicContact CD2-CG2 4.08Å; Y253-I297 HydrophobicContact CE1-CD1 3.32Å; Y253-I297 HydrophobicContact CE1-CG1 3.93Å; Y253-I297 HydrophobicContact CE2-CD1 4.28Å; Y253-I297 HydrophobicContact CE2-CG1 4.18Å; Y253-I297 HydrophobicContact CE2-CG2 3.82Å; Y253-I297 HydrophobicContact CG-CD1 4.44Å; M268-I297 HydrophobicContact CE-CD1 3.52Å; M268-I297 HydrophobicContact CG-CD1 4.04Å; M268-I297 HydrophobicContact SD-CD1 4.1Å; N295-I297 PolarHBondContact O-N 3.05Å; I297-L313 HydrophobicContact CB-CB 4.16Å; I297-L313 WeakPolarHBondContact CB-O 3Å; I297-L313 PolarHBondContact N-O 3.28Å; I297-E315 HydrophobicContact CD1-CG 3.92Å; I297-E315 HydrophobicContact CG1-CG 4.25Å
298S91Very high89.4Confident38 Ų3869.2 Ų69.227%0.26637%0.368SS..EExtended strand (participates in β ladder)trans-151.7144.5177-176.20000109.9L247 M312 L313L247-S298 VanDerWaalsContact CD2-CB 3.45Å; L247-S298 WeakPolarHBondContact CD2-OG 3.49Å; S298-M312 CarbonylContact O-C 3.31Å; S298-M312 WeakPolarHBondContact O-CA 3.43Å; S298-M312 VanDerWaalsContact O-CG 3.26Å; S298-M312 WeakPolarHBondContact O-CG 3.32Å; S298-L313 PolarHBondContact N-O 3.2Å; S298-L313 PolarHBondContact O-N 3.43Å
299A90.1Very high88.8Confident54 Ų5461.8 Ų61.845%0.44634%0.34SS..EExtended strand (participates in β ladder)trans-142.6128179.600000109.4I296 M312I296-A299 HydrophobicContact CG2-CB 3.87Å; A299-M312 HydrophobicContact CB-CE 3.89Å; A299-M312 HydrophobicContact CB-CG 3.89Å; A299-M312 HydrophobicContact CB-SD 4.48Å
300Q87.9Confident88.2Confident58 Ų5855.3 Ų55.327%0.27132%0.317SS..EExtended strand (participates in β ladder)trans-131.8125173-166.1174.10.400110L247 G310 I311L247-Q300 HydrophobicContact CD1-CB 4.02Å; Q300-G310 CarbonylContact O-C 3.59Å; Q300-G310 WeakPolarHBondContact O-CA 3.39Å; Q300-I311 PolarHBondContact N-O 2.94Å; Q300-I311 PolarHBondContact O-N 3.21Å
301M85.4Confident87.8Confident91 Ų9153.9 Ų53.945%0.44831%0.311SS..EExtended strand (participates in β ladder)trans-114.6138.4173.9-64.8-57.2-52.200108.8V278 F309V278-M301 HydrophobicContact CB-CE 4.46Å; V278-M301 HydrophobicContact CG1-CE 3.16Å; M301-F309 WeakPolarHBondContact CE-O 3.42Å
302D84.1Confident87.6Confident45 Ų4549 Ų4924%0.24129%0.285CS..EExtended strand (participates in β ladder)trans-142.4168.4176.9-157.6-2000110.9K205 K308 F309K205-D302 IonicContact NZ-OD2 3.6Å; K205-D302 PolarHBondContact NZ-OD2 2.85Å; D302-K308 WeakPolarHBondContact O-CA 3.44Å; D302-F309 HydrophobicContact CB-CE1 3.93Å; D302-F309 HydrophobicContact CB-CE2 4.08Å; D302-F309 HydrophobicContact CB-CZ 3.62Å; D302-F309 PolarHBondContact N-O 2.96Å; D302-F309 PolarHBondContact O-N 2.85Å; D302-F309 VanDerWaalsContact O-O 3.1Å
303Y82.3Confident87.4Confident140 Ų14049.2 Ų49.255%0.54929%0.285SS..EExtended strand (participates in β ladder)trans-125.9124.2-177-71.3-108.8000109.5V307 K308Y303-V307 WeakPolarHBondContact CA-O 3.13Å; Y303-K308 HydrophobicContact CD1-CG 3.68Å; Y303-K308 HydrophobicContact CE1-CD 3.7Å; Y303-K308 HydrophobicContact CE1-CG 3.27Å; Y303-K308 HydrophobicContact CE2-CD 4.48Å; Y303-K308 HydrophobicContact CE2-CG 4.23Å; Y303-K308 HydrophobicContact CG-CG 4.35Å; Y303-K308 WeakPolarHBondContact OH-CD 3.41Å; Y303-K308 WeakPolarHBondContact OH-CE 3.37Å
304A82.6Confident87.4Confident0 Ų043.8 Ų43.80%026%0.257CS..EExtended strand (participates in β ladder)trans-137.8132.6175.700000109.3K205 V225 F229 G306 V307 F309K205-A304 HydrophobicContact CB-CB 4.29Å; K205-A304 HydrophobicContact CD-CB 4.17Å; K205-A304 HydrophobicContact CG-CB 3.82Å; V225-A304 HydrophobicContact CG1-CB 4.06Å; F229-A304 HydrophobicContact CB-CB 4.19Å; F229-A304 HydrophobicContact CD1-CB 3.82Å; F229-A304 HydrophobicContact CD2-CB 3.82Å; F229-A304 HydrophobicContact CE1-CB 4.11Å; F229-A304 HydrophobicContact CE2-CB 4.07Å; F229-A304 HydrophobicContact CG-CB 3.65Å; F229-A304 HydrophobicContact CZ-CB 4.19Å; A304-G306 PolarHBondContact O-N 2.93Å; A304-V307 PolarHBondContact N-O 3.09Å; A304-V307 WeakPolarHBondContact O-CG2 3.35Å; A304-V307 PolarHBondContact O-N 2.81Å; A304-F309 HydrophobicContact CB-CD1 4.22Å; A304-F309 HydrophobicContact CB-CE1 3.45Å; A304-F309 VanDerWaalsContact CB-CE1 3.45Å; A304-F309 HydrophobicContact CB-CZ 4.22Å
305G77.3Confident87.4Confident42 Ų4242.8 Ų42.843%0.43325%0.251SS..THydrogen-bonded Turntrans57.921.4178.100000115V307G305-V307 VanDerWaalsContact C-N 3.32Å
306G78.9Confident87.4Confident77 Ų7739.2 Ų39.279%0.79423%0.232SC*.THydrogen-bonded Turntrans83.9-2.8-176.400000115.2A304A304-G306 PolarHBondContact O-N 2.93Å
307V78.7Confident87.5Confident37 Ų3738.1 Ų38.122%0.22422%0.224CC..EExtended strand (participates in β ladder)trans-98.1143.8171.4-62.80000110.5Y303 A304 G305Y303-V307 WeakPolarHBondContact CA-O 3.13Å; A304-V307 PolarHBondContact N-O 3.09Å; A304-V307 WeakPolarHBondContact O-CG2 3.35Å; A304-V307 PolarHBondContact O-N 2.81Å; G305-V307 VanDerWaalsContact C-N 3.32Å
308K82Confident87.6Confident56 Ų5638.5 Ų38.524%0.24324%0.238CC..EExtended strand (participates in β ladder)trans-84.6146168.5-57.4179.4-151.7175.90108.5G275 V278 D279 D302 Y303G275-K308 PolarHBondContact N-O 2.82Å; V278-K308 HydrophobicContact CB-CB 3.94Å; V278-K308 HydrophobicContact CG1-CB 3.36Å; V278-K308 HydrophobicContact CG1-CD 3.89Å; V278-K308 HydrophobicContact CG1-CG 4.24Å; V278-K308 HydrophobicContact CG2-CB 4.18Å; V278-K308 WeakPolarHBondContact CG2-O 3.34Å; D279-K308 WeakPolarHBondContact OD1-CE 3.19Å; D279-K308 IonicContact OD1-NZ 3.01Å; D279-K308 PolarHBondContact OD1-NZ 2.89Å; D279-K308 IonicContact OD2-NZ 3.92Å; D279-K308 PolarHBondContact OD2-NZ 2.63Å; D302-K308 WeakPolarHBondContact O-CA 3.44Å; Y303-K308 HydrophobicContact CD1-CG 3.68Å; Y303-K308 HydrophobicContact CE1-CD 3.7Å; Y303-K308 HydrophobicContact CE1-CG 3.27Å; Y303-K308 HydrophobicContact CE2-CD 4.48Å; Y303-K308 HydrophobicContact CE2-CG 4.23Å; Y303-K308 HydrophobicContact CG-CG 4.35Å; Y303-K308 WeakPolarHBondContact OH-CD 3.41Å; Y303-K308 WeakPolarHBondContact OH-CE 3.37Å
309F81.7Confident87.7Confident4 Ų440.3 Ų40.32%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-148156.5168.863.3-76.9000107.8K205 F229 L245 F273 M301 D302 A304K205-F309 HydrophobicContact CD-CZ 3.97Å; F229-F309 HydrophobicContact CD1-CD1 4.2Å; F229-F309 HydrophobicContact CD1-CD2 4.37Å; F229-F309 AromaticContact CD1-CE1 3.72Å; F229-F309 HydrophobicContact CD1-CE1 3.72Å; F229-F309 AromaticContact CD1-CE2 3.86Å; F229-F309 HydrophobicContact CD1-CE2 3.86Å; F229-F309 AromaticContact CD1-CZ 3.52Å; F229-F309 HydrophobicContact CD1-CZ 3.52Å; F229-F309 HydrophobicContact CE1-CE1 4.21Å; F229-F309 HydrophobicContact CE1-CE2 4.12Å; F229-F309 AromaticContact CE1-CZ 3.67Å; F229-F309 HydrophobicContact CE1-CZ 3.67Å; F229-F309 HydrophobicContact CG-CE1 4.46Å; L245-F309 HydrophobicContact CD1-CD2 3.92Å; L245-F309 HydrophobicContact CD1-CE2 3.87Å; L245-F309 HydrophobicContact CD2-CD2 4.1Å; L245-F309 HydrophobicContact CD2-CE2 3.74Å; L245-F309 HydrophobicContact CG-CD2 4.46Å; L245-F309 HydrophobicContact CG-CE2 4.02Å; F273-F309 VanDerWaalsContact O-CA 3.31Å; F273-F309 WeakPolarHBondContact O-CA 3.33Å; M301-F309 WeakPolarHBondContact CE-O 3.42Å; D302-F309 HydrophobicContact CB-CE1 3.93Å; D302-F309 HydrophobicContact CB-CE2 4.08Å; D302-F309 HydrophobicContact CB-CZ 3.62Å; D302-F309 PolarHBondContact N-O 2.96Å; D302-F309 PolarHBondContact O-N 2.85Å; D302-F309 VanDerWaalsContact O-O 3.1Å; A304-F309 HydrophobicContact CB-CD1 4.22Å; A304-F309 HydrophobicContact CB-CE1 3.45Å; A304-F309 VanDerWaalsContact CB-CE1 3.45Å; A304-F309 HydrophobicContact CB-CZ 4.22Å
310G84.1Confident87.7Confident2 Ų244.6 Ų44.62%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-166.7162.317700000112.4F273 Q300F273-G310 PolarHBondContact N-O 3.34Å; F273-G310 PolarHBondContact O-N 2.97Å; Q300-G310 CarbonylContact O-C 3.59Å; Q300-G310 WeakPolarHBondContact O-CA 3.39Å
311I87.8Confident88Confident13 Ų1349.2 Ų49.27%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-128.6143.6174.9-59.5174.5000107.4L245 L247 R270 L271 E272 Q300L245-I311 HydrophobicContact CB-CD1 4.01Å; L245-I311 HydrophobicContact CD1-CD1 3.32Å; L245-I311 HydrophobicContact CD1-CG1 3.78Å; L245-I311 HydrophobicContact CG-CD1 4.21Å; L247-I311 HydrophobicContact CD1-CB 3.37Å; L247-I311 HydrophobicContact CD1-CG2 3.59Å; L247-I311 VanDerWaalsContact CD1-O 3.26Å; L247-I311 WeakPolarHBondContact CD1-O 3.43Å; R270-I311 HydrophobicContact CG-CG2 3.72Å; L271-I311 CarbonylContact O-C 3.58Å; L271-I311 VanDerWaalsContact O-CA 3.26Å; L271-I311 WeakPolarHBondContact O-CA 3.44Å; E272-I311 HydrophobicContact CB-CG1 4.13Å; E272-I311 HydrophobicContact CG-CD1 4.18Å; E272-I311 HydrophobicContact CG-CG1 3.94Å; E272-I311 HydrophobicContact CG-CG2 4.34Å; Q300-I311 PolarHBondContact N-O 2.94Å; Q300-I311 PolarHBondContact O-N 3.21Å
312M91.8Very high88.4Confident25 Ų2547 Ų4712%0.12327%0.269CS..EExtended strand (participates in β ladder)trans-133138.3177.4-163.2-179.4-68.700109.8R270 L271 F273 L283 I296 S298 A299 T314R270-M312 WeakPolarHBondContact CA-O 3.22Å; L271-M312 HydrophobicContact CB-CB 4.31Å; L271-M312 PolarHBondContact N-O 2.94Å; L271-M312 PolarHBondContact O-N 3.31Å; F273-M312 HydrophobicContact CE2-CB 3.97Å; F273-M312 HydrophobicContact CE2-CE 4.44Å; L283-M312 HydrophobicContact CD1-CE 4.02Å; L283-M312 HydrophobicContact CD1-SD 3.41Å; L283-M312 WeakPolarHBondContact CD1-SD 3.48Å; I296-M312 HydrophobicContact CB-SD 4.42Å; I296-M312 HydrophobicContact CD1-CE 4.24Å; I296-M312 HydrophobicContact CD1-SD 3.88Å; I296-M312 HydrophobicContact CG1-SD 3.77Å; I296-M312 HydrophobicContact CG2-CG 3.92Å; I296-M312 HydrophobicContact CG2-SD 3.91Å; S298-M312 CarbonylContact O-C 3.31Å; S298-M312 WeakPolarHBondContact O-CA 3.43Å; S298-M312 VanDerWaalsContact O-CG 3.26Å; S298-M312 WeakPolarHBondContact O-CG 3.32Å; A299-M312 HydrophobicContact CB-CE 3.89Å; A299-M312 HydrophobicContact CB-CG 3.89Å; A299-M312 HydrophobicContact CB-SD 4.48Å; M312-T314 HydrophobicContact CB-CG2 4.27Å; M312-T314 HydrophobicContact CG-CG2 3.48Å; M312-T314 VanDerWaalsContact CG-CG2 3.48Å; M312-T314 HydrophobicContact SD-CG2 3.38Å; M312-T314 WeakPolarHBondContact SD-CG2 3.34Å
313L93.9Very high89Confident3 Ų345.3 Ų45.32%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-101.7124165.7-69176.2000107.9L247 I249 M268 L269 R270 I297 S298 L340L247-L313 HydrophobicContact CD2-CB 4.4Å; L247-L313 HydrophobicContact CD2-CD1 3.95Å; L247-L313 HydrophobicContact CD2-CG 3.84Å; I249-L313 HydrophobicContact CG1-CD1 4.28Å; M268-L313 HydrophobicContact CE-CB 4.27Å; M268-L313 HydrophobicContact CE-CD1 4.22Å; M268-L313 HydrophobicContact CE-CD2 4.27Å; M268-L313 HydrophobicContact CE-CG 4.49Å; L269-L313 WeakPolarHBondContact O-CA 3.34Å; R270-L313 HydrophobicContact CB-CD2 3.95Å; R270-L313 HydrophobicContact CG-CD2 4.03Å; I297-L313 HydrophobicContact CB-CB 4.16Å; I297-L313 WeakPolarHBondContact CB-O 3Å; I297-L313 PolarHBondContact N-O 3.28Å; S298-L313 PolarHBondContact N-O 3.2Å; S298-L313 PolarHBondContact O-N 3.43Å; L313-L340 HydrophobicContact CD2-CD1 3.46Å; L313-L340 VanDerWaalsContact CD2-CD1 3.46Å
314T95.5Very high89.6Confident0 Ų044.1 Ų44.10%026%0.261CS..EExtended strand (participates in β ladder)trans-138.4149.4-176.264.50000112L269 L271 L283 N295 I296 M312L269-T314 PolarHBondContact N-O 2.96Å; L269-T314 PolarHBondContact O-N 2.83Å; L271-T314 HydrophobicContact CD1-CG2 3.9Å; L283-T314 HydrophobicContact CD1-CG2 4.48Å; N295-T314 CarbonylContact O-C 3.5Å; N295-T314 WeakPolarHBondContact O-CA 3.47Å; N295-T314 WeakPolarHBondContact O-CB 3.5Å; I296-T314 HydrophobicContact CG1-CG2 4.33Å; M312-T314 HydrophobicContact CB-CG2 4.27Å; M312-T314 HydrophobicContact CG-CG2 3.48Å; M312-T314 VanDerWaalsContact CG-CG2 3.48Å; M312-T314 HydrophobicContact SD-CG2 3.38Å; M312-T314 WeakPolarHBondContact SD-CG2 3.34Å
315E96.2Very high90.2Very high11 Ų1145.9 Ų45.95%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-92140.2159-48.5169.4160.400109Y253 V266 P267 N294 N295 I297 H317 V343Y253-E315 HydrophobicContact CE1-CG 4.13Å; Y253-E315 WeakPolarHBondContact CE1-OE1 3.48Å; Y253-E315 VanDerWaalsContact CZ-OE1 3.24Å; Y253-E315 PolarHBondContact OH-OE1 3.18Å; V266-E315 HydrophobicContact CG2-CB 4.27Å; P267-E315 WeakPolarHBondContact O-CA 3.4Å; N294-E315 CarbonylContact C-O 3.52Å; N294-E315 WeakPolarHBondContact CA-O 3.42Å; N295-E315 HydrophobicContact CB-CB 4.09Å; N295-E315 HydrophobicContact CB-CG 4.43Å; N295-E315 PolarHBondContact N-O 2.93Å; N295-E315 PolarHBondContact ND2-OE2 2.86Å; N295-E315 PolarHBondContact O-N 3.49Å; I297-E315 HydrophobicContact CD1-CG 3.92Å; I297-E315 HydrophobicContact CG1-CG 4.25Å; E315-H317 IonicContact OE2-CD2 3.89Å; E315-H317 IonicContact OE2-CE1 3.82Å; E315-H317 IonicContact OE2-NE2 3.05Å; E315-H317 PolarHBondContact OE2-NE2 3.25Å; E315-V343 HydrophobicContact CG-CG2 4.26Å
316M97.1Very high91.1Very high0 Ų043.9 Ų43.90%025%0.254CS..EExtended strand (participates in β ladder)trans-114.1101.9174-171.2-179-78.100110.2P267 L269 V292 N294 T323 A326 I327 L330P267-M316 VanDerWaalsContact CD-O 3.32Å; P267-M316 WeakPolarHBondContact CD-O 3.46Å; P267-M316 HydrophobicContact CG-CB 4.28Å; P267-M316 WeakPolarHBondContact CG-O 3.48Å; P267-M316 PolarHBondContact O-N 3.38Å; P267-M316 VanDerWaalsContact O-N 3.09Å; L269-M316 HydrophobicContact CD1-CB 3.78Å; L269-M316 HydrophobicContact CD1-CE 3.62Å; L269-M316 HydrophobicContact CD1-SD 4.07Å; L269-M316 HydrophobicContact CG-CB 4.5Å; V292-M316 HydrophobicContact CB-CG 4.01Å; V292-M316 HydrophobicContact CG1-CG 4.24Å; V292-M316 HydrophobicContact CG1-SD 4.4Å; V292-M316 HydrophobicContact CG2-CG 4.36Å; N294-M316 WeakPolarHBondContact OD1-CE 3.48Å; M316-T323 HydrophobicContact CG-CG2 4.05Å; M316-T323 WeakPolarHBondContact O-CG2 3.44Å; M316-T323 HydrophobicContact SD-CG2 4.38Å; M316-A326 HydrophobicContact CE-CB 3.96Å; M316-A326 HydrophobicContact SD-CB 3.63Å; M316-I327 HydrophobicContact CE-CG1 4.32Å; M316-I327 HydrophobicContact SD-CG1 4.04Å; M316-L330 HydrophobicContact CE-CD1 3.9Å
317H96.3Very high91.9Very high67 Ų6741.3 Ų41.331%0.3122%0.222SC..EExtended strand (participates in β ladder)trans-86135179.1-64.9-111.9000110.1V292 N293 E315V292-H317 CarbonylContact C-O 3.49Å; V292-H317 VanDerWaalsContact CA-O 3.22Å; V292-H317 WeakPolarHBondContact CA-O 3.36Å; N293-H317 HydrophobicContact CB-CB 4.13Å; N293-H317 PolarHBondContact N-O 2.82Å; N293-H317 PolarHBondContact O-N 2.84Å; E315-H317 IonicContact OE2-CD2 3.89Å; E315-H317 IonicContact OE2-CE1 3.82Å; E315-H317 IonicContact OE2-NE2 3.05Å; E315-H317 PolarHBondContact OE2-NE2 3.25Å
318G94.1Very high92.8Very high46 Ų4641.6 Ų41.647%0.47423%0.228SC..SBendtrans164.1-176.9178.800000111.4
319T92.9Very high93.4Very high76 Ų7639.9 Ų39.947%0.46622%0.22SC..  trans-67.1156.117074.90000110Q321 D322 T323T319-Q321 PolarHBondContact O-N 2.97Å; T319-D322 WeakPolarHBondContact CG2-OD2 3.3Å; T319-D322 PolarHBondContact O-N 3.48Å; T319-D322 VanDerWaalsContact O-N 3.1Å; T319-D322 WeakPolarHBondContact OG1-CB 3.09Å; T319-D322 PolarHBondContact OG1-N 3.22Å; T319-D322 VanDerWaalsContact OG1-N 3.12Å; T319-D322 PolarHBondContact OG1-OD2 3.37Å; T319-T323 WeakPolarHBondContact O-CG2 3.32Å; T319-T323 PolarHBondContact O-N 2.97Å; T319-T323 PolarHBondContact O-OG1 3.12Å; T319-T323 VanDerWaalsContact O-OG1 3.12Å
320Q90.7Very high94.1Very high143 Ų14339.7 Ų39.767%0.66822%0.22SC*.Hα-helixtrans-56.5-35.4177.3-171.6-179.315.200112T323 Q324Q320-T323 PolarHBondContact O-OG1 3.05Å; Q320-T323 VanDerWaalsContact O-OG1 3.11Å; Q320-Q324 WeakPolarHBondContact O-CB 3.37Å; Q320-Q324 VanDerWaalsContact O-CG 3.25Å; Q320-Q324 WeakPolarHBondContact O-CG 3.48Å; Q320-Q324 PolarHBondContact O-N 3.09Å
321Q93.6Very high94.5Very high156 Ų15644.5 Ų44.573%0.72924%0.241SC*.Hα-helixtrans-68.8-43.9177.1-175.2176-1.100111.6T319 A325T319-Q321 PolarHBondContact O-N 2.97Å; Q321-A325 WeakPolarHBondContact O-CB 3.49Å; Q321-A325 PolarHBondContact O-N 3.4Å
322D95.8Very high94.7Very high43 Ų4350.5 Ų50.523%0.2327%0.269CS..Hα-helixtrans-69.2-40.3-178.5-69-33000112.5F290 V292 T319 A325 A326F290-D322 WeakPolarHBondContact O-CB 3.47Å; V292-D322 HydrophobicContact CG1-CB 3.95Å; T319-D322 WeakPolarHBondContact CG2-OD2 3.3Å; T319-D322 PolarHBondContact O-N 3.48Å; T319-D322 VanDerWaalsContact O-N 3.1Å; T319-D322 WeakPolarHBondContact OG1-CB 3.09Å; T319-D322 PolarHBondContact OG1-N 3.22Å; T319-D322 VanDerWaalsContact OG1-N 3.12Å; T319-D322 PolarHBondContact OG1-OD2 3.37Å; D322-A325 PolarHBondContact O-N 3.05Å; D322-A326 WeakPolarHBondContact O-CB 3.41Å; D322-A326 PolarHBondContact O-N 2.96Å
323T94.7Very high94.7Very high10 Ų1052.6 Ų52.66%0.06128%0.279CS..Hα-helixtrans-65.5-43.5177.254.80000111.3P267 V292 M316 T319 Q320 A325 A326 I327P267-T323 HydrophobicContact CG-CG2 4.4Å; V292-T323 HydrophobicContact CG1-CG2 4.39Å; M316-T323 HydrophobicContact CG-CG2 4.05Å; M316-T323 WeakPolarHBondContact O-CG2 3.44Å; M316-T323 HydrophobicContact SD-CG2 4.38Å; T319-T323 WeakPolarHBondContact O-CG2 3.32Å; T319-T323 PolarHBondContact O-N 2.97Å; T319-T323 PolarHBondContact O-OG1 3.12Å; T319-T323 VanDerWaalsContact O-OG1 3.12Å; Q320-T323 PolarHBondContact O-OG1 3.05Å; Q320-T323 VanDerWaalsContact O-OG1 3.11Å; T323-A325 PolarHBondContact O-N 3.22Å; T323-A326 PolarHBondContact O-N 3.05Å; T323-I327 WeakPolarHBondContact O-CB 3.22Å; T323-I327 WeakPolarHBondContact O-CD1 3.4Å; T323-I327 VanDerWaalsContact O-CG1 3.24Å; T323-I327 WeakPolarHBondContact O-CG1 3.45Å; T323-I327 PolarHBondContact O-N 2.88Å
324Q94.8Very high94.4Very high116 Ų11658.2 Ų58.254%0.54230%0.304SS..Hα-helixtrans-62.6-42174.3-73.2176.73.500112.2Q320 I327 A328Q320-Q324 WeakPolarHBondContact O-CB 3.37Å; Q320-Q324 VanDerWaalsContact O-CG 3.25Å; Q320-Q324 WeakPolarHBondContact O-CG 3.48Å; Q320-Q324 PolarHBondContact O-N 3.09Å; Q324-I327 PolarHBondContact O-N 3.43Å; Q324-A328 WeakPolarHBondContact O-CB 3.37Å; Q324-A328 PolarHBondContact O-N 2.86Å
325A96.4Very high94.1Very high36 Ų3658.4 Ų58.430%0.29831%0.305SS..Hα-helixtrans-64.2-42.1176.900000112.1F290 Q321 D322 T323 A328 W329F290-A325 HydrophobicContact CD1-CB 3.68Å; F290-A325 HydrophobicContact CE1-CB 3.86Å; F290-A325 HydrophobicContact CG-CB 4.45Å; Q321-A325 WeakPolarHBondContact O-CB 3.49Å; Q321-A325 PolarHBondContact O-N 3.4Å; D322-A325 PolarHBondContact O-N 3.05Å; T323-A325 PolarHBondContact O-N 3.22Å; A325-A328 PolarHBondContact O-N 2.92Å; A325-W329 WeakPolarHBondContact O-CB 3.24Å; A325-W329 PolarHBondContact O-N 2.92Å
326A96.8Very high93.8Very high0 Ų062.6 Ų62.60%032%0.323CS..Hα-helixtrans-65.8-41176.700000112.5T286 F290 V292 M316 D322 T323 W329 L330T286-A326 HydrophobicContact CG2-CB 4.32Å; F290-A326 HydrophobicContact CB-CB 4.11Å; F290-A326 HydrophobicContact CD2-CB 3.8Å; F290-A326 HydrophobicContact CG-CB 4.09Å; V292-A326 HydrophobicContact CG1-CB 4.05Å; V292-A326 HydrophobicContact CG2-CB 3.95Å; M316-A326 HydrophobicContact CE-CB 3.96Å; M316-A326 HydrophobicContact SD-CB 3.63Å; D322-A326 WeakPolarHBondContact O-CB 3.41Å; D322-A326 PolarHBondContact O-N 2.96Å; T323-A326 PolarHBondContact O-N 3.05Å; A326-W329 PolarHBondContact O-N 2.88Å; A326-L330 WeakPolarHBondContact O-CG 3.45Å; A326-L330 PolarHBondContact O-N 3.12Å
327I95.8Very high93.6Very high24 Ų2463.4 Ų63.412%0.12333%0.329CS..Hα-helixtrans-62.1-48.5175.3-70.5165.1000110.8L269 M316 T323 Q324 W329 L330 Q331 V337L269-I327 HydrophobicContact CD1-CD1 4.1Å; L269-I327 HydrophobicContact CD1-CG1 3.87Å; L269-I327 HydrophobicContact CD2-CD1 3.9Å; L269-I327 HydrophobicContact CD2-CG1 4.42Å; M316-I327 HydrophobicContact CE-CG1 4.32Å; M316-I327 HydrophobicContact SD-CG1 4.04Å; T323-I327 WeakPolarHBondContact O-CB 3.22Å; T323-I327 WeakPolarHBondContact O-CD1 3.4Å; T323-I327 VanDerWaalsContact O-CG1 3.24Å; T323-I327 WeakPolarHBondContact O-CG1 3.45Å; T323-I327 PolarHBondContact O-N 2.88Å; Q324-I327 PolarHBondContact O-N 3.43Å; I327-W329 VanDerWaalsContact C-N 3.29Å; I327-W329 PolarHBondContact O-N 3.36Å; I327-L330 PolarHBondContact O-N 3.36Å; I327-Q331 WeakPolarHBondContact O-CG 3.33Å; I327-Q331 PolarHBondContact O-N 3.16Å; I327-V337 HydrophobicContact CG1-CG1 4.35Å; I327-V337 HydrophobicContact CG2-CB 4.23Å; I327-V337 HydrophobicContact CG2-CG1 3.87Å
328A96.1Very high93.5Very high43 Ų4364.1 Ų64.136%0.35533%0.332SS..Hα-helixtrans-59.5-42.3177.600000111.4Q324 A325 L330 Q331 E332Q324-A328 WeakPolarHBondContact O-CB 3.37Å; Q324-A328 PolarHBondContact O-N 2.86Å; A325-A328 PolarHBondContact O-N 2.92Å; A328-L330 PolarHBondContact O-N 3.49Å; A328-Q331 WeakPolarHBondContact O-CB 3.33Å; A328-Q331 PolarHBondContact O-N 3.47Å; A328-E332 WeakPolarHBondContact O-CG 3.5Å; A328-E332 PolarHBondContact O-N 2.66Å
329W96.1Very high93.5Very high20 Ų2065 Ų658%0.07633%0.328CS..Hα-helixtrans-64.5-40.1177.7-173.381.4000113L282 E285 T286 R289 F290 A325 A326 I327 Q331 E332 H333L282-W329 HydrophobicContact CB-CZ3 4.1Å; L282-W329 HydrophobicContact CD2-CH2 3.69Å; L282-W329 HydrophobicContact CD2-CZ3 3.85Å; E285-W329 HydrophobicContact CB-CH2 3.73Å; E285-W329 HydrophobicContact CB-CZ2 4.47Å; E285-W329 HydrophobicContact CB-CZ3 4.29Å; E285-W329 HydrophobicContact CG-CH2 3.63Å; E285-W329 HydrophobicContact CG-CZ2 3.87Å; T286-W329 HydrophobicContact CG2-CD2 4.38Å; T286-W329 HydrophobicContact CG2-CE3 3.34Å; T286-W329 HydrophobicContact CG2-CZ3 3.61Å; R289-W329 VanDerWaalsContact NH1-NE1 3.1Å; F290-W329 HydrophobicContact CE2-CB 3.52Å; F290-W329 AromaticContact CE2-CD2 3.92Å; F290-W329 HydrophobicContact CE2-CD2 3.92Å; F290-W329 HydrophobicContact CE2-CE3 4.41Å; F290-W329 AromaticContact CE2-CG 3.52Å; F290-W329 HydrophobicContact CE2-CG 3.52Å; F290-W329 HydrophobicContact CZ-CB 3.56Å; F290-W329 AromaticContact CZ-CD1 3.83Å; F290-W329 HydrophobicContact CZ-CD2 4.43Å; F290-W329 AromaticContact CZ-CG 3.63Å; F290-W329 HydrophobicContact CZ-CG 3.63Å; A325-W329 WeakPolarHBondContact O-CB 3.24Å; A325-W329 PolarHBondContact O-N 2.92Å; A326-W329 PolarHBondContact O-N 2.88Å; I327-W329 VanDerWaalsContact C-N 3.29Å; I327-W329 PolarHBondContact O-N 3.36Å; W329-Q331 VanDerWaalsContact C-N 3.32Å; W329-Q331 PolarHBondContact O-N 3.1Å; W329-E332 PolarHBondContact O-N 3.12Å; W329-H333 AromaticContact CD1-CE1 3.75Å; W329-H333 AromaticContact CD2-CE1 3.9Å; W329-H333 AromaticContact CD2-ND1 3.71Å; W329-H333 AromaticContact CE2-CE1 3.22Å; W329-H333 AromaticContact CE2-ND1 3.49Å; W329-H333 AromaticContact CE2-NE2 3.76Å; W329-H333 AromaticContact CZ2-CD2 3.93Å; W329-H333 AromaticContact CZ2-CE1 3.48Å; W329-H333 VanDerWaalsContact CZ2-CE1 3.48Å; W329-H333 WeakPolarHBondContact CZ2-CE1 3.49Å; W329-H333 AromaticContact CZ2-ND1 3.81Å; W329-H333 AromaticContact CZ2-NE2 3.51Å; W329-H333 AromaticContact NE1-CE1 3.11Å; W329-H333 PolarHBondContact NE1-CE1 3.33Å; W329-H333 AromaticContact NE1-ND1 3.67Å; W329-H333 AromaticContact NE1-NE2 3.89Å; W329-H333 PolarHBondContact O-N 3.24Å; W329-H333 VanDerWaalsContact O-N 3.12Å; W329-H333 PolarHBondContact O-ND1 3.11Å
330L94.7Very high93.5Very high0 Ų063.3 Ų63.30%032%0.316CS..Hα-helixtrans-61.9-41173.9-74.1171.3000111.5L271 L282 L283 T286 M316 A326 I327 A328 H333 H334 V335 V337L271-L330 HydrophobicContact CD2-CD1 4.24Å; L282-L330 HydrophobicContact CB-CD2 3.81Å; L282-L330 HydrophobicContact CD1-CD2 4.47Å; L283-L330 HydrophobicContact CD2-CD1 4.27Å; L283-L330 HydrophobicContact CD2-CD2 4.4Å; T286-L330 HydrophobicContact CG2-CD1 4.39Å; T286-L330 HydrophobicContact CG2-CD2 3.89Å; T286-L330 HydrophobicContact CG2-CG 3.89Å; M316-L330 HydrophobicContact CE-CD1 3.9Å; A326-L330 WeakPolarHBondContact O-CG 3.45Å; A326-L330 PolarHBondContact O-N 3.12Å; I327-L330 PolarHBondContact O-N 3.36Å; A328-L330 PolarHBondContact O-N 3.49Å; L330-H333 CarbonylContact O-C 3.44Å; L330-H333 WeakPolarHBondContact O-CA 3.37Å; L330-H333 PolarHBondContact O-N 3Å; L330-H333 VanDerWaalsContact O-N 3.11Å; L330-H334 PolarHBondContact O-N 3.24Å; L330-V335 HydrophobicContact CB-CB 4.17Å; L330-V335 HydrophobicContact CD2-CG2 4.32Å; L330-V335 WeakPolarHBondContact O-CB 3.45Å; L330-V335 PolarHBondContact O-N 3Å; L330-V337 HydrophobicContact CB-CG2 3.89Å; L330-V337 HydrophobicContact CD1-CG2 4.46Å
331Q93.1Very high93.6Very high103 Ų10356.6 Ų56.648%0.48129%0.286SS..Hα-helixtrans-64.6-41.4176.5-69.7173.9-20.200112.2I327 A328 W329 H333 H334 V335 V337I327-Q331 WeakPolarHBondContact O-CG 3.33Å; I327-Q331 PolarHBondContact O-N 3.16Å; A328-Q331 WeakPolarHBondContact O-CB 3.33Å; A328-Q331 PolarHBondContact O-N 3.47Å; W329-Q331 VanDerWaalsContact C-N 3.32Å; W329-Q331 PolarHBondContact O-N 3.1Å; Q331-H333 PolarHBondContact O-N 3.33Å; Q331-H334 PolarHBondContact O-N 3.02Å; Q331-V335 WeakPolarHBondContact CA-O 3.32Å; Q331-V337 HydrophobicContact CG-CB 4.16Å; Q331-V337 HydrophobicContact CG-CG2 3.98Å
332E93Very high93.7Very high139 Ų13952 Ų5265%0.6526%0.262SS*.Hα-helixtrans-59.5-29.6171.9-72.2176.8176.400112.4A328 W329 H334A328-E332 WeakPolarHBondContact O-CG 3.5Å; A328-E332 PolarHBondContact O-N 2.66Å; W329-E332 PolarHBondContact O-N 3.12Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 2.95Å; E332-H334 PolarHBondContact O-ND1 3.36Å
333H90.9Very high93.6Very high69 Ų6951 Ų5132%0.31926%0.257SS..THydrogen-bonded Turntrans-93.325.5176.8-67.269.6000112.7S277 L282 W329 L330 Q331 V335S277-H333 VanDerWaalsContact CB-O 3.29Å; S277-H333 WeakPolarHBondContact CB-O 3.42Å; L282-H333 HydrophobicContact CD1-CB 4.06Å; L282-H333 HydrophobicContact CD2-CB 3.85Å; W329-H333 AromaticContact CD1-CE1 3.75Å; W329-H333 AromaticContact CD2-CE1 3.9Å; W329-H333 AromaticContact CD2-ND1 3.71Å; W329-H333 AromaticContact CE2-CE1 3.22Å; W329-H333 AromaticContact CE2-ND1 3.49Å; W329-H333 AromaticContact CE2-NE2 3.76Å; W329-H333 AromaticContact CZ2-CD2 3.93Å; W329-H333 AromaticContact CZ2-CE1 3.48Å; W329-H333 VanDerWaalsContact CZ2-CE1 3.48Å; W329-H333 WeakPolarHBondContact CZ2-CE1 3.49Å; W329-H333 AromaticContact CZ2-ND1 3.81Å; W329-H333 AromaticContact CZ2-NE2 3.51Å; W329-H333 AromaticContact NE1-CE1 3.11Å; W329-H333 PolarHBondContact NE1-CE1 3.33Å; W329-H333 AromaticContact NE1-ND1 3.67Å; W329-H333 AromaticContact NE1-NE2 3.89Å; W329-H333 PolarHBondContact O-N 3.24Å; W329-H333 VanDerWaalsContact O-N 3.12Å; W329-H333 PolarHBondContact O-ND1 3.11Å; L330-H333 CarbonylContact O-C 3.44Å; L330-H333 WeakPolarHBondContact O-CA 3.37Å; L330-H333 PolarHBondContact O-N 3Å; L330-H333 VanDerWaalsContact O-N 3.11Å; Q331-H333 PolarHBondContact O-N 3.33Å; H333-V335 VanDerWaalsContact C-N 3.29Å; H333-V335 PolarHBondContact O-N 2.85Å
334H87.4Confident93.5Very high120 Ų12053.1 Ų53.156%0.55627%0.267SS*.THydrogen-bonded Turntrans60.534.6172.9-52.175.6000113.6S277 L330 Q331 E332S277-H334 PolarHBondContact OG-O 3.15Å; L330-H334 PolarHBondContact O-N 3.24Å; Q331-H334 PolarHBondContact O-N 3.02Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 2.95Å; E332-H334 PolarHBondContact O-ND1 3.36Å
335V90.2Very high93.4Very high4 Ų449.8 Ų49.82%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-98.8125.3165.5-177.30000107.9L271 F273 L282 L330 Q331 H333 V337L271-V335 HydrophobicContact CB-CG1 4Å; L271-V335 HydrophobicContact CD2-CG1 4.39Å; F273-V335 HydrophobicContact CD1-CG1 4.31Å; F273-V335 HydrophobicContact CD1-CG2 3.78Å; F273-V335 HydrophobicContact CE1-CG1 4.12Å; F273-V335 HydrophobicContact CE1-CG2 3.75Å; F273-V335 HydrophobicContact CZ-CG1 4.35Å; L282-V335 HydrophobicContact CD1-CG2 3.33Å; L330-V335 HydrophobicContact CB-CB 4.17Å; L330-V335 HydrophobicContact CD2-CG2 4.32Å; L330-V335 WeakPolarHBondContact O-CB 3.45Å; L330-V335 PolarHBondContact O-N 3Å; Q331-V335 WeakPolarHBondContact CA-O 3.32Å; H333-V335 VanDerWaalsContact C-N 3.29Å; H333-V335 PolarHBondContact O-N 2.85Å; V335-V337 HydrophobicContact CB-CG2 4.4Å; V335-V337 HydrophobicContact CG1-CG2 4.04Å; V335-V337 PolarHBondContact O-N 3.37Å
336K88.7Confident93.3Very high99 Ų9950.6 Ų50.643%0.4325%0.25SS..EExtended strand (participates in β ladder)trans-79.1112.8172.6-172.4179.2174.1-171.10108Q238 E272Q238-K336 VanDerWaalsContact NE2-NZ 3.15Å; E272-K336 HydrophobicContact CB-CB 4.13Å; E272-K336 PolarHBondContact N-O 3.46Å; E272-K336 PolarHBondContact O-N 3.01Å; E272-K336 WeakPolarHBondContact OE2-CD 3.47Å; E272-K336 IonicContact OE2-NZ 2.89Å
337V93.6Very high93.1Very high18 Ų1853.5 Ų53.511%0.10927%0.265CS..EExtended strand (participates in β ladder)trans-106.5126.8-179-174.20000109.4L269 R270 L271 I327 L330 Q331 V335L269-V337 HydrophobicContact CB-CG1 4.45Å; L269-V337 HydrophobicContact CD1-CG1 4.33Å; L269-V337 HydrophobicContact CD2-CG1 4.24Å; R270-V337 WeakPolarHBondContact O-CA 3.22Å; L271-V337 HydrophobicContact CD2-CB 4.22Å; L271-V337 HydrophobicContact CD2-CG1 3.79Å; L271-V337 HydrophobicContact CD2-CG2 3.76Å; I327-V337 HydrophobicContact CG1-CG1 4.35Å; I327-V337 HydrophobicContact CG2-CB 4.23Å; I327-V337 HydrophobicContact CG2-CG1 3.87Å; L330-V337 HydrophobicContact CB-CG2 3.89Å; L330-V337 HydrophobicContact CD1-CG2 4.46Å; Q331-V337 HydrophobicContact CG-CB 4.16Å; Q331-V337 HydrophobicContact CG-CG2 3.98Å; V335-V337 HydrophobicContact CB-CG2 4.4Å; V335-V337 HydrophobicContact CG1-CG2 4.04Å; V335-V337 PolarHBondContact O-N 3.37Å
338E93.2Very high92.9Very high81 Ų8155.4 Ų55.438%0.37927%0.274SS..EExtended strand (participates in β ladder)trans-122.2127.9171.2-177.5178136.500109.2L269 R270 L340L269-E338 CarbonylContact C-O 3.57Å; L269-E338 WeakPolarHBondContact CA-O 3.48Å; R270-E338 HydrophobicContact CB-CB 4.35Å; R270-E338 IonicContact CZ-OE1 3.51Å; R270-E338 IonicContact CZ-OE2 2.6Å; R270-E338 PolarHBondContact N-O 3.26Å; R270-E338 IonicContact NH1-OE1 2.56Å; R270-E338 PolarHBondContact NH1-OE1 3.25Å; R270-E338 IonicContact NH1-OE2 2.8Å; R270-E338 PolarHBondContact NH1-OE2 3.44Å; R270-E338 IonicContact NH2-OE2 3.95Å; R270-E338 PolarHBondContact NH2-OE2 3Å; R270-E338 PolarHBondContact O-N 3.36Å; E338-L340 HydrophobicContact CG-CD2 4.35Å
339V94.5Very high92.7Very high64 Ų6456.2 Ų56.239%0.38827%0.268SS..EExtended strand (participates in β ladder)trans-83.5114.3172.6-174.90000107.5P267 L269P267-V339 HydrophobicContact CB-CG1 4.42Å; L269-V339 HydrophobicContact CD2-CB 4.23Å; L269-V339 HydrophobicContact CD2-CG1 4.36Å; L269-V339 HydrophobicContact CD2-CG2 3.69Å
340L93.1Very high92.4Very high41 Ų4158.8 Ų58.822%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-80.2-27.9-179.2-61.7176.8000112I249 L257 M268 R270 L313 E338I249-L340 HydrophobicContact CD1-CD1 3.91Å; I249-L340 HydrophobicContact CG1-CD1 4.29Å; L257-L340 HydrophobicContact CD2-CB 4.44Å; M268-L340 HydrophobicContact CE-CD1 4.14Å; M268-L340 HydrophobicContact CG-CD1 4.31Å; M268-L340 PolarHBondContact O-N 3.34Å; M268-L340 HydrophobicContact SD-CD1 4.44Å; R270-L340 HydrophobicContact CB-CD1 4.17Å; R270-L340 HydrophobicContact CB-CD2 4.22Å; R270-L340 HydrophobicContact CB-CG 4.21Å; L313-L340 HydrophobicContact CD2-CD1 3.46Å; L313-L340 VanDerWaalsContact CD2-CD1 3.46Å; E338-L340 HydrophobicContact CG-CD2 4.35Å
341G94Very high92.3Very high3 Ų363.3 Ų63.33%0.03130%0.304CS..EExtended strand (participates in β ladder)trans157.2-160.7-178.600000110.5Q258 M268Q258-G341 CarbonylContact O-C 3.55Å; Q258-G341 WeakPolarHBondContact O-CA 3.25Å; M268-G341 PolarHBondContact N-O 3.07Å
342Y95.1Very high92.2Very high60 Ų6060 Ų6024%0.23529%0.289CS..EExtended strand (participates in β ladder)trans-128.8136-176.3-55.4-91.1000110.5Q258 P261 V266 P267Q258-Y342 PolarHBondContact N-O 3.03Å; Q258-Y342 PolarHBondContact O-N 2.84Å; P261-Y342 HydrophobicContact CB-CD1 4.07Å; P261-Y342 HydrophobicContact CB-CD2 4.1Å; P261-Y342 HydrophobicContact CB-CE1 3.98Å; P261-Y342 HydrophobicContact CB-CE2 4.01Å; P261-Y342 HydrophobicContact CB-CG 4.14Å; P261-Y342 HydrophobicContact CG-CE2 4.27Å; V266-Y342 VanDerWaalsContact O-CA 3.32Å; V266-Y342 WeakPolarHBondContact O-CA 3.44Å; P267-Y342 HydrophobicContact CB-CD1 4.11Å; P267-Y342 HydrophobicContact CB-CE1 4.01Å
343V92.8Very high92.1Very high22 Ų2252.8 Ų52.813%0.13326%0.256CS..  trans-124.20-175.3-65.20000114.2Y253 R256 L257 V266 E315Y253-V343 HydrophobicContact CD1-CG1 4.1Å; Y253-V343 HydrophobicContact CE1-CG2 4.31Å; R256-V343 HydrophobicContact CB-CG1 4.49Å; R256-V343 PolarHBondContact NH2-OXT 2.95Å; R256-V343 VanDerWaalsContact NH2-OXT 3.09Å; L257-V343 HydrophobicContact CB-CG1 4.33Å; L257-V343 HydrophobicContact CD1-CG1 3.64Å; V266-V343 HydrophobicContact CG2-CG2 3.61Å; V266-V343 PolarHBondContact N-O 3.41Å; V266-V343 PolarHBondContact O-N 3.19Å; E315-V343 HydrophobicContact CG-CG2 4.26Å

Retrieved 343 of 343 residues in 115.2 ms (Link to these results)

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