A0A077YXL4_TRITR Loading...

Amidinotransf domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.8Low92.1Very high158 Ų15847.3 Ų47.378%0.77825%0.247SC*.  0148.60-153.3177.7-15300108.3F119 G121 K258M1-F119 HydrophobicContact CE-CE1 3.94Å; M1-F119 HydrophobicContact CE-CZ 4.48Å; M1-G121 VanDerWaalsContact CE-CA 3.41Å; M1-K258 PolarHBondContact SD-NZ 2.96Å
2S82.5Confident92.3Very high66 Ų6644.3 Ų44.346%0.46223%0.234SC..PPolyproline II helixtrans-65146.7172.257.30000110.6K258S2-K258 WeakPolarHBondContact O-CD 3.16Å; S2-K258 WeakPolarHBondContact O-CE 3.42Å; S2-K258 PolarHBondContact O-NZ 2.94Å
3P91.9Very high92.3Very high79 Ų7941.8 Ų41.851%0.51322%0.222SC..PPolyproline II helixtrans-65.5156.117628.8-34.7000110.8N212P3-N212 WeakPolarHBondContact CA-OD1 3.33Å; P3-N212 WeakPolarHBondContact CB-OD1 3.32Å
4F95.4Very high92.4Very high41 Ų4150.1 Ų50.118%0.1827%0.266CS..PPolyproline II helixtrans-61.9143.9159.8-66-73.5000109.4V47 N210 V211 N212 L256 K258F4-V47 HydrophobicContact CB-CG1 3.64Å; F4-N210 WeakPolarHBondContact CE2-O 3.34Å; F4-V211 HydrophobicContact CB-CG1 4.11Å; F4-V211 HydrophobicContact CD2-CB 4.47Å; F4-V211 HydrophobicContact CD2-CG1 4.06Å; F4-V211 HydrophobicContact CG-CG1 4.42Å; F4-N212 PolarHBondContact N-OD1 3.41Å; F4-N212 PolarHBondContact O-ND2 2.64Å; F4-N212 VanDerWaalsContact O-ND2 3.11Å; F4-L256 HydrophobicContact CD1-CB 3.61Å; F4-L256 HydrophobicContact CE1-CB 3.52Å; F4-L256 HydrophobicContact CE1-CD1 4.26Å; F4-L256 HydrophobicContact CE1-CG 4.47Å; F4-L256 HydrophobicContact CE2-CD1 4.24Å; F4-L256 HydrophobicContact CG-CB 4.31Å; F4-L256 HydrophobicContact CZ-CB 4.16Å; F4-L256 HydrophobicContact CZ-CD1 4.06Å; F4-K258 HydrophobicContact CD1-CD 4.17Å; F4-K258 VanDerWaalsContact CD1-CE 3.46Å; F4-K258 HydrophobicContact CD1-CG 3.49Å; F4-K258 VanDerWaalsContact CD1-CG 3.49Å; F4-K258 HydrophobicContact CE1-CD 4.15Å; F4-K258 HydrophobicContact CE1-CG 3.84Å; F4-K258 HydrophobicContact CG-CG 4.21Å; F4-K258 VanDerWaalsContact CZ-CE 3.41Å
5T95.4Very high92.5Very high41 Ų4155.5 Ų55.525%0.25228%0.282SS..  trans-115.7-35.6-173.352.20000111.7D48 L257 K259T5-D48 PolarHBondContact O-N 3.02Å; T5-L257 PolarHBondContact N-O 3.33Å; T5-L257 PolarHBondContact OG1-O 3.39Å; T5-K259 HydrophobicContact CG2-CB 4.15Å; T5-K259 PolarHBondContact OG1-N 2.88Å
6H97.2Very high92.6Very high26 Ų2652.3 Ų52.312%0.1227%0.266CS..EExtended strand (participates in β ladder)trans-139.9158.2179.2-49.670.2000109.8D48 L257H6-D48 CarbonylContact C-O 3.6Å; H6-D48 WeakPolarHBondContact CA-O 3.49Å; H6-D48 WeakPolarHBondContact CB-O 3.29Å; H6-D48 IonicContact CD2-OD2 2.7Å; H6-L257 HydrophobicContact CB-CB 4.09Å; H6-L257 HydrophobicContact CB-CD1 4.06Å; H6-L257 HydrophobicContact CB-CG 4.32Å; H6-L257 PolarHBondContact N-O 2.73Å; H6-L257 PolarHBondContact O-N 3.29Å
7A98Very high92.7Very high0 Ų050.6 Ų50.60%026%0.257CS..EExtended strand (participates in β ladder)trans-128.4131.1166.400000108.2L42 V47 D48 V49 I50 L256A7-L42 HydrophobicContact CB-CD1 4.18Å; A7-V47 HydrophobicContact CB-CG2 4.08Å; A7-D48 PolarHBondContact N-O 3.32Å; A7-V49 HydrophobicContact CB-CG2 4.32Å; A7-V49 WeakPolarHBondContact O-CA 3.49Å; A7-I50 PolarHBondContact O-N 2.88Å; A7-L256 HydrophobicContact CB-CD2 4.08Å
8I98.2Very high92.7Very high0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-95.2131.4169.7-58.7168.4000107.3L52 V65 V90 L93 L94 L255 L257I8-L52 HydrophobicContact CG2-CD1 3.65Å; I8-L52 HydrophobicContact CG2-CD2 4.43Å; I8-L52 HydrophobicContact CG2-CG 3.9Å; I8-V65 VanDerWaalsContact O-CG2 3.29Å; I8-V65 WeakPolarHBondContact O-CG2 3.1Å; I8-V90 HydrophobicContact CD1-CG1 4.42Å; I8-L93 HydrophobicContact CD1-CD2 3.58Å; I8-L93 HydrophobicContact CD1-CG 4.27Å; I8-L93 HydrophobicContact CG1-CD2 3.74Å; I8-L93 HydrophobicContact CG2-CD2 4.38Å; I8-L94 HydrophobicContact CD1-CD2 4.47Å; I8-L255 HydrophobicContact CB-CB 4.25Å; I8-L255 HydrophobicContact CD1-CD2 4.13Å; I8-L255 PolarHBondContact N-O 2.93Å; I8-L255 PolarHBondContact O-N 3.38Å; I8-L257 HydrophobicContact CD1-CD1 3.81Å; I8-L257 HydrophobicContact CD1-CD2 4.45Å; I8-L257 HydrophobicContact CD1-CG 4.45Å; I8-L257 HydrophobicContact CG1-CD1 4.03Å
9V97.9Very high92.6Very high0 Ų051.5 Ų51.50%029%0.285CS..EExtended strand (participates in β ladder)trans-132.7144.8175179.70000108.3Q35 L42 V49 I50 E51 L52V9-Q35 HydrophobicContact CG1-CG 4.22Å; V9-L42 HydrophobicContact CG2-CD1 4.41Å; V9-V49 HydrophobicContact CG2-CG1 4.12Å; V9-I50 PolarHBondContact N-O 3.39Å; V9-E51 CarbonylContact O-C 3.52Å; V9-E51 WeakPolarHBondContact O-CA 3.4Å; V9-L52 PolarHBondContact O-N 2.79Å
10S96.6Very high92.5Very high0 Ų051.4 Ų51.40%030%0.296CS..EExtended strand (participates in β ladder)trans-105.6121.6176.3163.90000110.3Q35 L63 R86S10-Q35 PolarHBondContact O-NE2 2.84Å; S10-L63 WeakPolarHBondContact OG-CD2 3.37Å; S10-R86 VanDerWaalsContact OG-CZ 3.32Å; S10-R86 PolarHBondContact OG-NE 3.43Å; S10-R86 PolarHBondContact OG-NH2 3.26Å
11R96.7Very high92.6Very high109 Ų10956.3 Ų56.341%0.41132%0.315SS..PPolyproline II helixtrans-64.5142.5175.5-68.6-176.1-67158.1-4.1111.7E51 L52 P54 L63R11-E51 HydrophobicContact CG-CB 4.29Å; R11-L52 WeakPolarHBondContact CB-O 3.36Å; R11-L52 WeakPolarHBondContact CG-O 3.4Å; R11-L52 PolarHBondContact N-O 2.84Å; R11-L52 PolarHBondContact NE-O 2.91Å; R11-P54 HydrophobicContact CB-CG 4Å; R11-P54 WeakPolarHBondContact O-CA 3.45Å; R11-L63 WeakPolarHBondContact O-CD2 3.45Å
12A94.4Very high94Very high11 Ų1151.7 Ų51.79%0.09130%0.296CS..PPolyproline II helixtrans-72.1142.6179.200000112.9I28 F31 P54 L63A12-I28 HydrophobicContact CB-CD1 4.05Å; A12-F31 HydrophobicContact CB-CD1 3.68Å; A12-F31 HydrophobicContact CB-CE1 3.55Å; A12-F31 HydrophobicContact CB-CZ 4.46Å; A12-P54 WeakPolarHBondContact O-CG 3.3Å; A12-L63 HydrophobicContact CB-CD1 3.99Å
13P93.4Very high94.5Very high13 Ų1349.7 Ų49.78%0.08428%0.28CS..PPolyproline II helixtrans-69.2167.6164.629-33.9000111.2R15 L16 I28 P54P13-R15 WeakPolarHBondContact CG-O 3.29Å; P13-R15 PolarHBondContact O-N 3.38Å; P13-L16 HydrophobicContact CG-CD2 3.91Å; P13-I28 VanDerWaalsContact O-CD1 3.29Å; P13-I28 WeakPolarHBondContact O-CD1 3.47Å; P13-I28 WeakPolarHBondContact O-CG1 3.44Å; P13-P54 HydrophobicContact CB-CB 4.3Å
14N93.6Very high94.3Very high157 Ų15752.7 Ų52.784%0.8429%0.292SS*.SBendtrans-66.4-8.5-178.6-66.1-30.6000114.6
15R93.4Very high94Very high131 Ų13155.8 Ų55.849%0.49431%0.314SS..SBendtrans-149.4142.4176.2-176.2174.766.8179.1-4.2109.1P13 E58P13-R15 WeakPolarHBondContact CG-O 3.29Å; P13-R15 PolarHBondContact O-N 3.38Å; R15-E58 IonicContact CZ-OE1 2.65Å; R15-E58 IonicContact CZ-OE2 2.87Å; R15-E58 IonicContact NE-OE1 2.72Å; R15-E58 PolarHBondContact NE-OE1 2.88Å; R15-E58 VanDerWaalsContact NE-OE1 3.1Å; R15-E58 IonicContact NE-OE2 3.34Å; R15-E58 PolarHBondContact NE-OE2 2.88Å; R15-E58 IonicContact NH2-OE1 3.1Å; R15-E58 PolarHBondContact NH2-OE1 2.89Å; R15-E58 IonicContact NH2-OE2 2.72Å; R15-E58 PolarHBondContact NH2-OE2 2.94Å; R15-E58 WeakPolarHBondContact O-CB 3.35Å
16L94.8Very high93.9Very high5 Ų554.9 Ų54.93%0.02631%0.309CS..  trans-113.1139.6178.1-66170.5000112P13 L23 V26 I28 F31 E58 L63P13-L16 HydrophobicContact CG-CD2 3.91Å; L16-L23 HydrophobicContact CB-CB 4.45Å; L16-L23 HydrophobicContact CB-CD1 4.17Å; L16-L23 PolarHBondContact O-N 3.48Å; L16-V26 HydrophobicContact CD1-CG1 4.05Å; L16-I28 HydrophobicContact CD1-CD1 3.86Å; L16-I28 HydrophobicContact CG-CD1 3.98Å; L16-F31 HydrophobicContact CD1-CD2 4Å; L16-F31 HydrophobicContact CD1-CE2 3.92Å; L16-F31 HydrophobicContact CD1-CG 4.45Å; L16-F31 HydrophobicContact CD1-CZ 4.36Å; L16-E58 CarbonylContact C-O 3.59Å; L16-E58 WeakPolarHBondContact CA-O 3.41Å; L16-L63 HydrophobicContact CD2-CD1 3.82Å
17L94.4Very high93.8Very high24 Ų2457.5 Ų57.513%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-117.6153.2173.6-51.3-179.5000110.5K21 P22 E58 M60L17-K21 CarbonylContact C-O 3.51Å; L17-K21 VanDerWaalsContact CA-O 3.24Å; L17-K21 WeakPolarHBondContact CA-O 3.48Å; L17-P22 HydrophobicContact CD2-CB 4.08Å; L17-P22 HydrophobicContact CD2-CG 3.85Å; L17-E58 HydrophobicContact CD1-CB 3.91Å; L17-E58 HydrophobicContact CG-CB 3.71Å; L17-E58 PolarHBondContact N-O 2.82Å; L17-M60 WeakPolarHBondContact O-CB 3.23Å; L17-M60 PolarHBondContact O-N 3.27Å
18S92.5Very high93.8Very high48 Ų4859 Ų5934%0.33633%0.331SS..EExtended strand (participates in β ladder)trans-128.5107.6167.2-179.90000108.9G20 K21S18-G20 VanDerWaalsContact C-N 3.35Å; S18-G20 PolarHBondContact O-N 2.85Å; S18-K21 PolarHBondContact N-O 2.97Å; S18-K21 PolarHBondContact O-N 2.85Å
19G90Very high93.7Very high69 Ų6965.1 Ų65.171%0.71136%0.364SS*.THydrogen-bonded Turntrans62.542.8-177.500000112.1K21 E59G19-K21 PolarHBondContact O-N 3.42Å; G19-E59 PolarHBondContact N-OE2 3.4Å
20G91.1Very high93.7Very high49 Ų4967.9 Ų67.951%0.50538%0.378SS..THydrogen-bonded Turntrans76.3-1.5-178.100000115.4S18 E59S18-G20 VanDerWaalsContact C-N 3.35Å; S18-G20 PolarHBondContact O-N 2.85Å; G20-E59 VanDerWaalsContact CA-OE1 3.29Å; G20-E59 WeakPolarHBondContact CA-OE1 3.15Å; G20-E59 PolarHBondContact N-OE1 2.73Å
21K94.1Very high93.7Very high156 Ų15667.9 Ų67.968%0.67838%0.378SS*.EExtended strand (participates in β ladder)trans-101.6131.1-179.8-66.1-177.7-177.8176.30111.5L17 S18 G19 L23L17-K21 CarbonylContact C-O 3.51Å; L17-K21 VanDerWaalsContact CA-O 3.24Å; L17-K21 WeakPolarHBondContact CA-O 3.48Å; S18-K21 PolarHBondContact N-O 2.97Å; S18-K21 PolarHBondContact O-N 2.85Å; G19-K21 PolarHBondContact O-N 3.42Å; K21-L23 PolarHBondContact O-N 2.8Å
22P93.3Very high93.8Very high60 Ų6064.9 Ų64.939%0.3937%0.372SS..EExtended strand (participates in β ladder)trans-57.6130176.2-26.735.4000113.5L17 N24L17-P22 HydrophobicContact CD2-CB 4.08Å; L17-P22 HydrophobicContact CD2-CG 3.85Å; P22-N24 VanDerWaalsContact CB-OD1 3.24Å; P22-N24 WeakPolarHBondContact CB-OD1 2.98Å; P22-N24 PolarHBondContact O-N 2.82Å
23L93Very high93.9Very high24 Ų2470.5 Ų70.513%0.12639%0.394CS..  trans-82.768.7169.7-68.1178.1000109.6L16 K21 V25 V26 M60 N246L16-L23 HydrophobicContact CB-CB 4.45Å; L16-L23 HydrophobicContact CB-CD1 4.17Å; L16-L23 PolarHBondContact O-N 3.48Å; K21-L23 PolarHBondContact O-N 2.8Å; L23-V25 PolarHBondContact O-N 2.61Å; L23-V26 HydrophobicContact CB-CB 4.37Å; L23-V26 HydrophobicContact CB-CG2 3.82Å; L23-V26 HydrophobicContact CD1-CG2 4.36Å; L23-V26 WeakPolarHBondContact O-CB 3.31Å; L23-V26 PolarHBondContact O-N 3.27Å; L23-M60 HydrophobicContact CD1-CB 4.21Å; L23-M60 HydrophobicContact CD1-CG 4.37Å; L23-M60 HydrophobicContact CD1-SD 3.5Å; L23-M60 WeakPolarHBondContact CD1-SD 3.45Å; L23-N246 HydrophobicContact CD1-CB 4.36Å; L23-N246 HydrophobicContact CD2-CB 4.21Å
24N87.5Confident94.1Very high143 Ų14370.1 Ų70.177%0.76539%0.392SS*.THydrogen-bonded Turntrans-62.1-14.2-175.6-65.1-30.7000114.5P22 V26P22-N24 VanDerWaalsContact CB-OD1 3.24Å; P22-N24 WeakPolarHBondContact CB-OD1 2.98Å; P22-N24 PolarHBondContact O-N 2.82Å; N24-V26 VanDerWaalsContact C-N 3.29Å
25V88.1Confident94.3Very high106 Ų10662.9 Ų62.964%0.64235%0.352SS*.THydrogen-bonded Turntrans-82.4-8.7175.9-62.40000112.9L23 K245L23-V25 PolarHBondContact O-N 2.61Å; V25-K245 PolarHBondContact O-NZ 3.03Å
26V93.3Very high94.5Very high22 Ų2261.5 Ų61.513%0.13335%0.352CS..  trans-90.8117.5-178.5-179.70000110.4L16 L23 N24 I28 F31 E242 K245L16-V26 HydrophobicContact CD1-CG1 4.05Å; L23-V26 HydrophobicContact CB-CB 4.37Å; L23-V26 HydrophobicContact CB-CG2 3.82Å; L23-V26 HydrophobicContact CD1-CG2 4.36Å; L23-V26 WeakPolarHBondContact O-CB 3.31Å; L23-V26 PolarHBondContact O-N 3.27Å; N24-V26 VanDerWaalsContact C-N 3.29Å; V26-I28 PolarHBondContact O-N 3.36Å; V26-F31 HydrophobicContact CG1-CB 4.29Å; V26-F31 HydrophobicContact CG1-CD2 4.07Å; V26-E242 WeakPolarHBondContact CA-OE1 3.5Å; V26-E242 HydrophobicContact CG1-CG 4.38Å; V26-K245 HydrophobicContact CG2-CB 4.24Å; V26-K245 HydrophobicContact CG2-CD 4.22Å
27D96.3Very high94.7Very high81 Ų8164.2 Ų64.243%0.43336%0.364SS..  trans-78.2105.5166.5-177.8-22.4000108.6N29 L30 F31 E242D27-N29 VanDerWaalsContact C-N 3.26Å; D27-N29 PolarHBondContact O-N 3.06Å; D27-N29 WeakPolarHBondContact OD1-CB 3.37Å; D27-N29 PolarHBondContact OD1-N 2.74Å; D27-L30 HydrophobicContact CB-CB 4.01Å; D27-L30 PolarHBondContact O-N 3Å; D27-L30 PolarHBondContact OD1-N 2.88Å; D27-L30 VanDerWaalsContact OD1-N 3.15Å; D27-F31 WeakPolarHBondContact O-CB 3.41Å; D27-F31 PolarHBondContact O-N 2.98Å; D27-E242 PolarHBondContact N-OE1 3.16Å; D27-E242 WeakPolarHBondContact O-CG 3.37Å
28I96.2Very high94.8Very high32 Ų3263.1 Ų63.116%0.16436%0.358CS..Hα-helixtrans-67.8-26.8-175.2-158.558.3000113.3A12 P13 L16 V26 F31 T32A12-I28 HydrophobicContact CB-CD1 4.05Å; P13-I28 VanDerWaalsContact O-CD1 3.29Å; P13-I28 WeakPolarHBondContact O-CD1 3.47Å; P13-I28 WeakPolarHBondContact O-CG1 3.44Å; L16-I28 HydrophobicContact CD1-CD1 3.86Å; L16-I28 HydrophobicContact CG-CD1 3.98Å; V26-I28 PolarHBondContact O-N 3.36Å; I28-F31 HydrophobicContact CD1-CB 4.27Å; I28-F31 HydrophobicContact CD1-CD1 4.5Å; I28-F31 HydrophobicContact CD1-CG 4.39Å; I28-T32 WeakPolarHBondContact O-CB 3.19Å; I28-T32 PolarHBondContact O-N 3.02Å; I28-T32 PolarHBondContact O-OG1 3.47Å
29N97Very high95.1Very high127 Ų12760.8 Ų60.868%0.67934%0.342SS*.Hα-helixtrans-72.7-43.5177.9-64.6-45.7000109.9D27 T32 K33D27-N29 VanDerWaalsContact C-N 3.26Å; D27-N29 PolarHBondContact O-N 3.06Å; D27-N29 WeakPolarHBondContact OD1-CB 3.37Å; D27-N29 PolarHBondContact OD1-N 2.74Å; N29-T32 PolarHBondContact O-N 3.39Å; N29-K33 WeakPolarHBondContact O-CB 3.48Å; N29-K33 PolarHBondContact O-N 3.12Å
30L97.9Very high95.5Very high58 Ų5863 Ų6330%0.30433%0.334SS..Hα-helixtrans-65.2-43.6174.1-179.159000111.1D27 T32 K33 Q34 E242D27-L30 HydrophobicContact CB-CB 4.01Å; D27-L30 PolarHBondContact O-N 3Å; D27-L30 PolarHBondContact OD1-N 2.88Å; D27-L30 VanDerWaalsContact OD1-N 3.15Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 2.79Å; L30-K33 PolarHBondContact O-N 2.9Å; L30-Q34 HydrophobicContact CD1-CG 4.2Å; L30-Q34 HydrophobicContact CG-CG 4.46Å; L30-Q34 WeakPolarHBondContact O-CG 3.46Å; L30-Q34 PolarHBondContact O-N 2.77Å; L30-E242 HydrophobicContact CB-CB 4.47Å; L30-E242 HydrophobicContact CB-CG 4.06Å; L30-E242 HydrophobicContact CD2-CB 4.01Å; L30-E242 HydrophobicContact CD2-CG 4.13Å; L30-E242 HydrophobicContact CG-CB 3.88Å; L30-E242 HydrophobicContact CG-CG 4Å
31F97.5Very high95.8Very high1 Ų163.1 Ų63.10%0.00432%0.321CS..Hα-helixtrans-54.2-49.4174.7-175.2-71.7000111.2A12 L16 V26 D27 I28 K33 Q34 Q35 L63 E242 M243 Y253A12-F31 HydrophobicContact CB-CD1 3.68Å; A12-F31 HydrophobicContact CB-CE1 3.55Å; A12-F31 HydrophobicContact CB-CZ 4.46Å; L16-F31 HydrophobicContact CD1-CD2 4Å; L16-F31 HydrophobicContact CD1-CE2 3.92Å; L16-F31 HydrophobicContact CD1-CG 4.45Å; L16-F31 HydrophobicContact CD1-CZ 4.36Å; V26-F31 HydrophobicContact CG1-CB 4.29Å; V26-F31 HydrophobicContact CG1-CD2 4.07Å; D27-F31 WeakPolarHBondContact O-CB 3.41Å; D27-F31 PolarHBondContact O-N 2.98Å; I28-F31 HydrophobicContact CD1-CB 4.27Å; I28-F31 HydrophobicContact CD1-CD1 4.5Å; I28-F31 HydrophobicContact CD1-CG 4.39Å; F31-K33 PolarHBondContact O-N 3.36Å; F31-Q34 PolarHBondContact O-N 2.83Å; F31-Q35 WeakPolarHBondContact O-CB 3.3Å; F31-Q35 PolarHBondContact O-N 3.25Å; F31-L63 HydrophobicContact CE1-CD1 3.95Å; F31-L63 HydrophobicContact CE2-CD1 4.5Å; F31-L63 HydrophobicContact CZ-CD1 3.58Å; F31-E242 HydrophobicContact CB-CG 4.01Å; F31-M243 HydrophobicContact CD1-CG 4.41Å; F31-M243 HydrophobicContact CD2-CB 4.32Å; F31-M243 HydrophobicContact CD2-CG 4.04Å; F31-M243 HydrophobicContact CE1-CG 4.32Å; F31-M243 HydrophobicContact CE2-CB 4.03Å; F31-M243 HydrophobicContact CE2-CG 4.01Å; F31-M243 HydrophobicContact CG-CG 4.24Å; F31-M243 HydrophobicContact CZ-CB 4.4Å; F31-M243 HydrophobicContact CZ-CG 4.12Å; F31-Y253 HydrophobicContact CE2-CE1 4.46Å; F31-Y253 AromaticContact CZ-CE1 3.82Å; F31-Y253 HydrophobicContact CZ-CE1 3.82Å; F31-Y253 AromaticContact CZ-CZ 3.99Å
32T97.1Very high96Very high46 Ų4655.7 Ų55.728%0.28229%0.288SS..Hα-helixtrans-63-43.9-178.6-56.90000110.9I28 N29 L30 Q34 Q35 E36I28-T32 WeakPolarHBondContact O-CB 3.19Å; I28-T32 PolarHBondContact O-N 3.02Å; I28-T32 PolarHBondContact O-OG1 3.47Å; N29-T32 PolarHBondContact O-N 3.39Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 2.79Å; T32-Q34 PolarHBondContact O-N 2.7Å; T32-Q35 WeakPolarHBondContact O-CB 3.42Å; T32-Q35 PolarHBondContact O-N 2.99Å; T32-E36 WeakPolarHBondContact O-CG 3.44Å; T32-E36 PolarHBondContact O-N 3.39Å
33K98.1Very high96.2Very high129 Ų12957.6 Ų57.656%0.56129%0.288SS*.Hα-helixtrans-60.5-43.7176.1-176.2-175.7173.5-165.90112.5N29 L30 F31 Q35 E36 E37N29-K33 WeakPolarHBondContact O-CB 3.48Å; N29-K33 PolarHBondContact O-N 3.12Å; L30-K33 PolarHBondContact O-N 2.9Å; F31-K33 PolarHBondContact O-N 3.36Å; K33-Q35 VanDerWaalsContact C-N 3.3Å; K33-Q35 PolarHBondContact O-N 3.26Å; K33-E36 PolarHBondContact O-N 3.05Å; K33-E37 PolarHBondContact O-N 3.1Å
34Q97.8Very high96.5Very high5 Ų562 Ų622%0.02331%0.308CS..Hα-helixtrans-65.1-36.6177.1-69.5-176.2-6.200111.8L30 F31 T32 E37 L38 E239 I240 D241 M243L30-Q34 HydrophobicContact CD1-CG 4.2Å; L30-Q34 HydrophobicContact CG-CG 4.46Å; L30-Q34 WeakPolarHBondContact O-CG 3.46Å; L30-Q34 PolarHBondContact O-N 2.77Å; F31-Q34 PolarHBondContact O-N 2.83Å; T32-Q34 PolarHBondContact O-N 2.7Å; Q34-E37 PolarHBondContact O-N 3.17Å; Q34-L38 WeakPolarHBondContact O-CB 3.33Å; Q34-L38 PolarHBondContact O-N 3.13Å; Q34-E239 WeakPolarHBondContact CB-O 3.35Å; Q34-E239 VanDerWaalsContact CD-O 3.26Å; Q34-E239 WeakPolarHBondContact CG-O 3.29Å; Q34-I240 VanDerWaalsContact OE1-CA 3.23Å; Q34-D241 PolarHBondContact NE2-OD1 3.27Å; Q34-M243 VanDerWaalsContact C-SD 3.56Å; Q34-M243 HydrophobicContact CB-CG 3.84Å; Q34-M243 HydrophobicContact CB-SD 3.72Å; Q34-M243 VanDerWaalsContact OE1-N 3.16Å
35Q97.5Very high97Very high4 Ų455.7 Ų55.72%0.01928%0.276CS..Hα-helixtrans-66.4-42.1174.7178.2169.260.600112V9 S10 F31 T32 K33 L38 C39 M243V9-Q35 HydrophobicContact CG1-CG 4.22Å; S10-Q35 PolarHBondContact O-NE2 2.84Å; F31-Q35 WeakPolarHBondContact O-CB 3.3Å; F31-Q35 PolarHBondContact O-N 3.25Å; T32-Q35 WeakPolarHBondContact O-CB 3.42Å; T32-Q35 PolarHBondContact O-N 2.99Å; K33-Q35 VanDerWaalsContact C-N 3.3Å; K33-Q35 PolarHBondContact O-N 3.26Å; Q35-L38 PolarHBondContact O-N 3.02Å; Q35-C39 PolarHBondContact O-N 3.05Å; Q35-C39 PolarHBondContact O-SG 3.27Å; Q35-M243 HydrophobicContact CB-CE 4.08Å; Q35-M243 HydrophobicContact CB-SD 4.09Å; Q35-M243 HydrophobicContact CG-CE 4.47Å; Q35-M243 PolarHBondContact N-SD 2.9Å; Q35-M243 VanDerWaalsContact N-SD 3.44Å
36E97.7Very high97.4Very high102 Ų10253.3 Ų53.348%0.47727%0.273SS..Hα-helixtrans-60.4-47174.5-73169.9172.500110.9T32 K33 L38 C39 E40T32-E36 WeakPolarHBondContact O-CG 3.44Å; T32-E36 PolarHBondContact O-N 3.39Å; K33-E36 PolarHBondContact O-N 3.05Å; E36-L38 PolarHBondContact O-N 3.02Å; E36-C39 WeakPolarHBondContact O-CB 3.43Å; E36-C39 PolarHBondContact O-N 3.24Å; E36-C39 VanDerWaalsContact O-N 3.12Å; E36-E40 WeakPolarHBondContact O-CG 3.37Å; E36-E40 PolarHBondContact O-N 3.17Å
37E97.7Very high97.6Very high62 Ų6252.6 Ų52.629%0.2927%0.268SS..Hα-helixtrans-60.3-44.8176.5-177.3170.9177.200111.8K33 Q34 C39 E40 K41K33-E37 PolarHBondContact O-N 3.1Å; Q34-E37 PolarHBondContact O-N 3.17Å; E37-C39 VanDerWaalsContact C-N 3.3Å; E37-C39 PolarHBondContact O-N 3.32Å; E37-E40 PolarHBondContact O-N 3.01Å; E37-K41 HydrophobicContact CG-CG 4.43Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 VanDerWaalsContact O-CG 3.31Å; E37-K41 WeakPolarHBondContact O-CG 3.36Å; E37-K41 PolarHBondContact O-N 3.15Å
38L97.5Very high97.6Very high1 Ų153.1 Ų53.11%0.00527%0.271CS..Hα-helixtrans-56.8-44.4173.7173.660.7000111.6Q34 Q35 E36 K41 L42 M209 I238 M243 L250Q34-L38 WeakPolarHBondContact O-CB 3.33Å; Q34-L38 PolarHBondContact O-N 3.13Å; Q35-L38 PolarHBondContact O-N 3.02Å; E36-L38 PolarHBondContact O-N 3.02Å; L38-K41 PolarHBondContact O-N 2.85Å; L38-L42 HydrophobicContact CD1-CD1 4.14Å; L38-L42 HydrophobicContact CD1-CG 4.22Å; L38-L42 HydrophobicContact CG-CD1 4.08Å; L38-L42 WeakPolarHBondContact O-CB 3.3Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 2.88Å; L38-M209 HydrophobicContact CD1-CE 3.72Å; L38-I238 HydrophobicContact CD1-CD1 3.74Å; L38-M243 HydrophobicContact CD2-CE 4.01Å; L38-L250 HydrophobicContact CD1-CD1 3.88Å; L38-L250 HydrophobicContact CD2-CD1 3.79Å
39C98.3Very high97.7Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-65.6-41.7179-66.80000112Q35 E36 E37 L42 R43 V49Q35-C39 PolarHBondContact O-N 3.05Å; Q35-C39 PolarHBondContact O-SG 3.27Å; E36-C39 WeakPolarHBondContact O-CB 3.43Å; E36-C39 PolarHBondContact O-N 3.24Å; E36-C39 VanDerWaalsContact O-N 3.12Å; E37-C39 VanDerWaalsContact C-N 3.3Å; E37-C39 PolarHBondContact O-N 3.32Å; C39-L42 PolarHBondContact O-N 3.49Å; C39-R43 WeakPolarHBondContact O-CG 3.45Å; C39-R43 PolarHBondContact O-N 3.26Å; C39-V49 HydrophobicContact CB-CG1 4.01Å
40E98.2Very high97.8Very high114 Ų11447.9 Ų47.953%0.53324%0.243SC..Hα-helixtrans-60.2-46.3173.9-71.6-178.8170.800111.6E36 E37 L42 R43 E44E36-E40 WeakPolarHBondContact O-CG 3.37Å; E36-E40 PolarHBondContact O-N 3.17Å; E37-E40 PolarHBondContact O-N 3.01Å; E40-L42 PolarHBondContact O-N 3.31Å; E40-R43 WeakPolarHBondContact O-CB 3Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-R43 VanDerWaalsContact O-N 3.1Å; E40-E44 WeakPolarHBondContact O-CG 3.37Å; E40-E44 PolarHBondContact O-N 2.81Å
41K98Very high97.8Very high52 Ų5248.2 Ų48.223%0.22624%0.243CC..Hα-helixtrans-66.5-35.7179.1-66.1-51.4-177.5-163.60113.6E37 L38 R43 E44 A45 F216 I238E37-K41 HydrophobicContact CG-CG 4.43Å; E37-K41 WeakPolarHBondContact O-CB 3.49Å; E37-K41 VanDerWaalsContact O-CG 3.31Å; E37-K41 WeakPolarHBondContact O-CG 3.36Å; E37-K41 PolarHBondContact O-N 3.15Å; L38-K41 PolarHBondContact O-N 2.85Å; K41-R43 VanDerWaalsContact C-N 3.34Å; K41-E44 VanDerWaalsContact CD-OE2 3.22Å; K41-E44 WeakPolarHBondContact CD-OE2 3.25Å; K41-E44 IonicContact NZ-OE1 3.05Å; K41-E44 PolarHBondContact NZ-OE1 2.91Å; K41-E44 IonicContact NZ-OE2 2.63Å; K41-E44 PolarHBondContact NZ-OE2 2.83Å; K41-E44 PolarHBondContact O-N 2.58Å; K41-A45 PolarHBondContact O-N 2.89Å; K41-F216 HydrophobicContact CB-CE1 3.67Å; K41-F216 HydrophobicContact CB-CZ 4.28Å; K41-F216 WeakPolarHBondContact O-CZ 3.38Å; K41-I238 HydrophobicContact CG-CG2 4.38Å
42L98.2Very high97.8Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-60.5-43.7169.6-76.2168.7000111.3A7 V9 L38 C39 E40 E44 A45 G46 V47 V49 M209 V211 F216 L256A7-L42 HydrophobicContact CB-CD1 4.18Å; V9-L42 HydrophobicContact CG2-CD1 4.41Å; L38-L42 HydrophobicContact CD1-CD1 4.14Å; L38-L42 HydrophobicContact CD1-CG 4.22Å; L38-L42 HydrophobicContact CG-CD1 4.08Å; L38-L42 WeakPolarHBondContact O-CB 3.3Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 2.88Å; C39-L42 PolarHBondContact O-N 3.49Å; E40-L42 PolarHBondContact O-N 3.31Å; L42-E44 PolarHBondContact O-N 2.83Å; L42-A45 CarbonylContact O-C 3.52Å; L42-A45 WeakPolarHBondContact O-CB 3.39Å; L42-A45 PolarHBondContact O-N 2.63Å; L42-A45 VanDerWaalsContact O-N 3.13Å; L42-G46 PolarHBondContact O-N 3.08Å; L42-V47 HydrophobicContact CB-CG2 3.74Å; L42-V47 HydrophobicContact CD2-CG2 4.19Å; L42-V47 WeakPolarHBondContact O-CG2 3.45Å; L42-V47 PolarHBondContact O-N 3.06Å; L42-V49 HydrophobicContact CB-CG2 3.59Å; L42-V49 HydrophobicContact CD1-CG2 4.48Å; L42-M209 HydrophobicContact CD2-CE 3.85Å; L42-M209 HydrophobicContact CG-CE 4.45Å; L42-V211 HydrophobicContact CD2-CG2 4Å; L42-F216 HydrophobicContact CD2-CD2 4.42Å; L42-F216 HydrophobicContact CD2-CE2 3.92Å; L42-F216 HydrophobicContact CD2-CZ 4.42Å; L42-L256 HydrophobicContact CD2-CD2 4.48Å
43R98.3Very high97.8Very high101 Ų10148.8 Ų48.838%0.38125%0.251SS..Hα-helixtrans-62.2-42.1175.4-68.3174.7-178110.53.3112.4C39 E40 K41 A45 G46 V47 V49 E51C39-R43 WeakPolarHBondContact O-CG 3.45Å; C39-R43 PolarHBondContact O-N 3.26Å; E40-R43 WeakPolarHBondContact O-CB 3Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-R43 VanDerWaalsContact O-N 3.1Å; K41-R43 VanDerWaalsContact C-N 3.34Å; R43-A45 PolarHBondContact O-N 3.07Å; R43-G46 WeakPolarHBondContact O-CA 3.46Å; R43-G46 PolarHBondContact O-N 2.95Å; R43-V47 WeakPolarHBondContact CA-O 3.41Å; R43-V49 HydrophobicContact CG-CB 4.12Å; R43-V49 HydrophobicContact CG-CG2 3.62Å; R43-V49 PolarHBondContact NH2-O 3.11Å; R43-E51 IonicContact CZ-OE1 3.26Å; R43-E51 IonicContact NH1-OE1 2.88Å; R43-E51 PolarHBondContact NH1-OE1 3.4Å; R43-E51 IonicContact NH2-OE1 2.82Å; R43-E51 PolarHBondContact NH2-OE1 3.29Å
44E97.9Very high97.6Very high116 Ų11645.2 Ų45.254%0.54224%0.241SC..Hα-helixtrans-59.3-34.4173.9-70.5175.7-166.100112.1E40 K41 L42 G46E40-E44 WeakPolarHBondContact O-CG 3.37Å; E40-E44 PolarHBondContact O-N 2.81Å; K41-E44 VanDerWaalsContact CD-OE2 3.22Å; K41-E44 WeakPolarHBondContact CD-OE2 3.25Å; K41-E44 IonicContact NZ-OE1 3.05Å; K41-E44 PolarHBondContact NZ-OE1 2.91Å; K41-E44 IonicContact NZ-OE2 2.63Å; K41-E44 PolarHBondContact NZ-OE2 2.83Å; K41-E44 PolarHBondContact O-N 2.58Å; L42-E44 PolarHBondContact O-N 2.83Å; E44-G46 PolarHBondContact O-N 3.26Å
45A97.5Very high97.2Very high11 Ų1146.2 Ų46.29%0.09125%0.246CC..THydrogen-bonded Turntrans-75.76.6173.300000114K41 L42 R43 V211 N212 V214 F216K41-A45 PolarHBondContact O-N 2.89Å; L42-A45 CarbonylContact O-C 3.52Å; L42-A45 WeakPolarHBondContact O-CB 3.39Å; L42-A45 PolarHBondContact O-N 2.63Å; L42-A45 VanDerWaalsContact O-N 3.13Å; R43-A45 PolarHBondContact O-N 3.07Å; A45-V211 HydrophobicContact CB-CG1 4.44Å; A45-N212 WeakPolarHBondContact O-CB 3.47Å; A45-N212 PolarHBondContact O-ND2 3.09Å; A45-V214 HydrophobicContact CB-CB 4.06Å; A45-V214 HydrophobicContact CB-CG2 3.85Å; A45-F216 HydrophobicContact CB-CE2 4.13Å; A45-F216 HydrophobicContact CB-CZ 3.89Å
46G96.8Very high96.8Very high56 Ų5654.5 Ų54.558%0.57729%0.29SS*.THydrogen-bonded Turntrans80.825.3172.600000114.8L42 R43 E44L42-G46 PolarHBondContact O-N 3.08Å; R43-G46 WeakPolarHBondContact O-CA 3.46Å; R43-G46 PolarHBondContact O-N 2.95Å; E44-G46 PolarHBondContact O-N 3.26Å
47V97.4Very high96.5Very high6 Ų651.4 Ų51.44%0.03628%0.278CS..  trans-105.6143.5169.2-60.90000111.7F4 A7 L42 R43 V49 V211F4-V47 HydrophobicContact CB-CG1 3.64Å; A7-V47 HydrophobicContact CB-CG2 4.08Å; L42-V47 HydrophobicContact CB-CG2 3.74Å; L42-V47 HydrophobicContact CD2-CG2 4.19Å; L42-V47 WeakPolarHBondContact O-CG2 3.45Å; L42-V47 PolarHBondContact O-N 3.06Å; R43-V47 WeakPolarHBondContact CA-O 3.41Å; V47-V49 HydrophobicContact CG2-CG2 4.17Å; V47-V211 HydrophobicContact CG1-CG1 3.54Å; V47-V211 HydrophobicContact CG2-CG1 4.38Å
48D97.6Very high96.2Very high93 Ų9351 Ų5150%0.49728%0.276SS..EExtended strand (participates in β ladder)trans-79.6119.9170.1-172.111.8000110T5 H6 A7T5-D48 PolarHBondContact O-N 3.02Å; H6-D48 CarbonylContact C-O 3.6Å; H6-D48 WeakPolarHBondContact CA-O 3.49Å; H6-D48 WeakPolarHBondContact CB-O 3.29Å; H6-D48 IonicContact CD2-OD2 2.7Å; A7-D48 PolarHBondContact N-O 3.32Å
49V98.5Very high96Very high8 Ų852.4 Ų52.45%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-98.6114.7-174-176.90000109.8A7 V9 C39 L42 R43 V47 E51A7-V49 HydrophobicContact CB-CG2 4.32Å; A7-V49 WeakPolarHBondContact O-CA 3.49Å; V9-V49 HydrophobicContact CG2-CG1 4.12Å; C39-V49 HydrophobicContact CB-CG1 4.01Å; L42-V49 HydrophobicContact CB-CG2 3.59Å; L42-V49 HydrophobicContact CD1-CG2 4.48Å; R43-V49 HydrophobicContact CG-CB 4.12Å; R43-V49 HydrophobicContact CG-CG2 3.62Å; R43-V49 PolarHBondContact NH2-O 3.11Å; V47-V49 HydrophobicContact CG2-CG2 4.17Å; V49-E51 HydrophobicContact CG1-CG 4Å
50I98.4Very high95.7Very high40 Ų4052.6 Ų52.621%0.20528%0.284CS..EExtended strand (participates in β ladder)trans-95.4103.4177.7-52.2176.5000108.1A7 V9 L52 L93 L97A7-I50 PolarHBondContact O-N 2.88Å; V9-I50 PolarHBondContact N-O 3.39Å; I50-L52 HydrophobicContact CG2-CD2 4.24Å; I50-L93 HydrophobicContact CB-CD2 4.33Å; I50-L93 HydrophobicContact CD1-CD1 4.01Å; I50-L93 HydrophobicContact CD1-CD2 4.02Å; I50-L93 HydrophobicContact CD1-CG 4.37Å; I50-L93 HydrophobicContact CG2-CD1 4.47Å; I50-L93 HydrophobicContact CG2-CD2 3.73Å; I50-L97 HydrophobicContact CD1-CD1 3.91Å; I50-L97 HydrophobicContact CD1-CD2 4.44Å
51E98.1Very high95.4Very high65 Ų6551.3 Ų51.330%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-91.5104.5-179.5-65-177.6-121.300110.7V9 R11 R43 V49V9-E51 CarbonylContact O-C 3.52Å; V9-E51 WeakPolarHBondContact O-CA 3.4Å; R11-E51 HydrophobicContact CG-CB 4.29Å; R43-E51 IonicContact CZ-OE1 3.26Å; R43-E51 IonicContact NH1-OE1 2.88Å; R43-E51 PolarHBondContact NH1-OE1 3.4Å; R43-E51 IonicContact NH2-OE1 2.82Å; R43-E51 PolarHBondContact NH2-OE1 3.29Å; V49-E51 HydrophobicContact CG1-CG 4Å
52L97.6Very high95.1Very high12 Ų1249.3 Ų49.36%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-70.9146.5176.9-51.7177.6000110.4I8 V9 R11 I50 E89 V90 L93I8-L52 HydrophobicContact CG2-CD1 3.65Å; I8-L52 HydrophobicContact CG2-CD2 4.43Å; I8-L52 HydrophobicContact CG2-CG 3.9Å; V9-L52 PolarHBondContact O-N 2.79Å; R11-L52 WeakPolarHBondContact CB-O 3.36Å; R11-L52 WeakPolarHBondContact CG-O 3.4Å; R11-L52 PolarHBondContact N-O 2.84Å; R11-L52 PolarHBondContact NE-O 2.91Å; I50-L52 HydrophobicContact CG2-CD2 4.24Å; L52-E89 HydrophobicContact CD2-CG 4.36Å; L52-V90 HydrophobicContact CD1-CG2 3.95Å; L52-L93 HydrophobicContact CD2-CD2 4.1Å
53A96.3Very high94.9Very high48 Ų4849.3 Ų49.340%0.39727%0.269SS..PPolyproline II helixtrans-64.5152.1174.400000111E55 R86A53-E55 PolarHBondContact O-N 3.28Å; A53-R86 PolarHBondContact O-NH1 2.9Å; A53-R86 PolarHBondContact O-NH2 3.45Å
54P94.2Very high94.8Very high54 Ų5445.6 Ų45.635%0.35126%0.256SS..PPolyproline II helixtrans-54.1140.1171.4-23.234.3000110.8R11 A12 P13R11-P54 HydrophobicContact CB-CG 4Å; R11-P54 WeakPolarHBondContact O-CA 3.45Å; A12-P54 WeakPolarHBondContact O-CG 3.3Å; P13-P54 HydrophobicContact CB-CB 4.3Å
55E89.8Confident94.7Very high25 Ų2540.1 Ų40.112%0.11723%0.23CC..PPolyproline II helixtrans-74.8164.9169.9-68.2-160.5101.300111.1A53 T57 S62 Q85 R86A53-E55 PolarHBondContact O-N 3.28Å; E55-T57 HydrophobicContact CB-CG2 3.8Å; E55-T57 PolarHBondContact O-N 3.27Å; E55-S62 VanDerWaalsContact OE2-CB 3.24Å; E55-S62 WeakPolarHBondContact OE2-CB 3.48Å; E55-Q85 WeakPolarHBondContact OE1-CA 3.44Å; E55-Q85 PolarHBondContact OE1-N 2.96Å; E55-R86 HydrophobicContact CG-CB 4.38Å; E55-R86 PolarHBondContact OE1-N 3.42Å; E55-R86 WeakPolarHBondContact OE2-CB 3.35Å
56D89Confident94.7Very high178 Ų17840.4 Ų40.495%0.95223%0.23SC*.SBendtrans-63.5-21.6170-65.7-26.7000112.5
57T90.1Very high94.6Very high38 Ų3838.2 Ų38.223%0.23321%0.205CC..  trans-81.2137.6174.5-173.60000111.3E55 E59E55-T57 HydrophobicContact CB-CG2 3.8Å; E55-T57 PolarHBondContact O-N 3.27Å; T57-E59 VanDerWaalsContact C-N 3.32Å; T57-E59 WeakPolarHBondContact OG1-CG 3.47Å; T57-E59 PolarHBondContact OG1-N 2.97Å
58E92.1Very high94.6Very high53 Ų5338.3 Ų38.325%0.24821%0.205CC..  trans-88.91.4173.6-65.4177.4167.300112.7R15 L16 L17 M60R15-E58 IonicContact CZ-OE1 2.65Å; R15-E58 IonicContact CZ-OE2 2.87Å; R15-E58 IonicContact NE-OE1 2.72Å; R15-E58 PolarHBondContact NE-OE1 2.88Å; R15-E58 VanDerWaalsContact NE-OE1 3.1Å; R15-E58 IonicContact NE-OE2 3.34Å; R15-E58 PolarHBondContact NE-OE2 2.88Å; R15-E58 IonicContact NH2-OE1 3.1Å; R15-E58 PolarHBondContact NH2-OE1 2.89Å; R15-E58 IonicContact NH2-OE2 2.72Å; R15-E58 PolarHBondContact NH2-OE2 2.94Å; R15-E58 WeakPolarHBondContact O-CB 3.35Å; L16-E58 CarbonylContact C-O 3.59Å; L16-E58 WeakPolarHBondContact CA-O 3.41Å; L17-E58 HydrophobicContact CD1-CB 3.91Å; L17-E58 HydrophobicContact CG-CB 3.71Å; L17-E58 PolarHBondContact N-O 2.82Å; E58-M60 PolarHBondContact O-N 3.46Å
59E92.5Very high94.6Very high31 Ų3134 Ų3415%0.14518%0.183CC..BIsolated β-bridgetrans-65.3123.6-179.2-72.1-67148.900111.1G19 G20 T57 K61 S62G19-E59 PolarHBondContact N-OE2 3.4Å; G20-E59 VanDerWaalsContact CA-OE1 3.29Å; G20-E59 WeakPolarHBondContact CA-OE1 3.15Å; G20-E59 PolarHBondContact N-OE1 2.73Å; T57-E59 VanDerWaalsContact C-N 3.32Å; T57-E59 WeakPolarHBondContact OG1-CG 3.47Å; T57-E59 PolarHBondContact OG1-N 2.97Å; E59-K61 HydrophobicContact CB-CG 4.07Å; E59-K61 PolarHBondContact O-N 3.08Å; E59-K61 VanDerWaalsContact O-N 3.09Å; E59-S62 VanDerWaalsContact O-CB 3.25Å; E59-S62 WeakPolarHBondContact O-CB 3.4Å; E59-S62 PolarHBondContact O-N 3.01Å; E59-S62 PolarHBondContact O-OG 3.14Å
60M93.1Very high94.5Very high4 Ų434.1 Ų34.12%0.0218%0.184CC..G310 helixtrans-55-33.5-178-175.7-177.1-17000113L17 L23 E58 S62 L63 F64 N246 A248 Y253L17-M60 WeakPolarHBondContact O-CB 3.23Å; L17-M60 PolarHBondContact O-N 3.27Å; L23-M60 HydrophobicContact CD1-CB 4.21Å; L23-M60 HydrophobicContact CD1-CG 4.37Å; L23-M60 HydrophobicContact CD1-SD 3.5Å; L23-M60 WeakPolarHBondContact CD1-SD 3.45Å; E58-M60 PolarHBondContact O-N 3.46Å; M60-S62 PolarHBondContact O-N 2.86Å; M60-L63 VanDerWaalsContact O-CB 3.27Å; M60-L63 WeakPolarHBondContact O-CB 3.43Å; M60-L63 WeakPolarHBondContact O-CG 3.47Å; M60-L63 PolarHBondContact O-N 3.05Å; M60-F64 HydrophobicContact CE-CE1 4.32Å; M60-F64 HydrophobicContact CE-CZ 4.11Å; M60-F64 HydrophobicContact CG-CE1 4.22Å; M60-F64 HydrophobicContact CG-CZ 3.9Å; M60-F64 HydrophobicContact SD-CZ 4.16Å; M60-N246 HydrophobicContact SD-CB 4.21Å; M60-A248 HydrophobicContact CE-CB 3.7Å; M60-Y253 WeakPolarHBondContact CE-OH 3.12Å
61K91.5Very high94.4Very high87 Ų8733.7 Ų33.738%0.37818%0.181SC..G310 helixtrans-62.8-19.3176.964.2177.4-177.8170.40114.4E59 L63 F64 P83E59-K61 HydrophobicContact CB-CG 4.07Å; E59-K61 PolarHBondContact O-N 3.08Å; E59-K61 VanDerWaalsContact O-N 3.09Å; K61-L63 PolarHBondContact O-N 3.33Å; K61-F64 HydrophobicContact CB-CD2 4.07Å; K61-F64 HydrophobicContact CB-CE2 4.4Å; K61-F64 PolarHBondContact O-N 3.47Å; K61-F64 VanDerWaalsContact O-N 3.09Å; K61-P83 VanDerWaalsContact CE-CD 3.5Å; K61-P83 VanDerWaalsContact NZ-CG 3.28Å
62S91.7Very high94.2Very high9 Ų930.8 Ų30.86%0.06317%0.168CC..G310 helixtrans-62.6-20.4171.5650000112.6E55 E59 M60 R86E55-S62 VanDerWaalsContact OE2-CB 3.24Å; E55-S62 WeakPolarHBondContact OE2-CB 3.48Å; E59-S62 VanDerWaalsContact O-CB 3.25Å; E59-S62 WeakPolarHBondContact O-CB 3.4Å; E59-S62 PolarHBondContact O-N 3.01Å; E59-S62 PolarHBondContact O-OG 3.14Å; M60-S62 PolarHBondContact O-N 2.86Å; S62-R86 PolarHBondContact O-NE 3.27Å
63L95.1Very high93.8Very high0 Ų033.8 Ų33.80%018%0.184CC..G310 helixtrans-83.9-16.1176.8-49.6-174.7000112.8S10 R11 A12 L16 F31 M60 K61 V65 Y253S10-L63 WeakPolarHBondContact OG-CD2 3.37Å; R11-L63 WeakPolarHBondContact O-CD2 3.45Å; A12-L63 HydrophobicContact CB-CD1 3.99Å; L16-L63 HydrophobicContact CD2-CD1 3.82Å; F31-L63 HydrophobicContact CE1-CD1 3.95Å; F31-L63 HydrophobicContact CE2-CD1 4.5Å; F31-L63 HydrophobicContact CZ-CD1 3.58Å; M60-L63 VanDerWaalsContact O-CB 3.27Å; M60-L63 WeakPolarHBondContact O-CB 3.43Å; M60-L63 WeakPolarHBondContact O-CG 3.47Å; M60-L63 PolarHBondContact O-N 3.05Å; K61-L63 PolarHBondContact O-N 3.33Å; L63-V65 VanDerWaalsContact C-N 3.27Å; L63-V65 PolarHBondContact O-N 3.21Å; L63-Y253 HydrophobicContact CB-CD1 3.92Å; L63-Y253 HydrophobicContact CB-CE1 3.77Å; L63-Y253 HydrophobicContact CD1-CE1 4.13Å
64F95.4Very high93.6Very high24 Ų2431.8 Ų31.811%0.10517%0.169CC..  trans-84.665.3-174-58.8-20.4000111.8M60 K61 D66 D67 A248 Q252 Y253M60-F64 HydrophobicContact CE-CE1 4.32Å; M60-F64 HydrophobicContact CE-CZ 4.11Å; M60-F64 HydrophobicContact CG-CE1 4.22Å; M60-F64 HydrophobicContact CG-CZ 3.9Å; M60-F64 HydrophobicContact SD-CZ 4.16Å; K61-F64 HydrophobicContact CB-CD2 4.07Å; K61-F64 HydrophobicContact CB-CE2 4.4Å; K61-F64 PolarHBondContact O-N 3.47Å; K61-F64 VanDerWaalsContact O-N 3.09Å; F64-D66 PolarHBondContact O-N 2.89Å; F64-D67 HydrophobicContact CB-CB 4.17Å; F64-D67 WeakPolarHBondContact O-CB 3.46Å; F64-D67 PolarHBondContact O-N 2.83Å; F64-A248 HydrophobicContact CE1-CB 3.84Å; F64-A248 HydrophobicContact CZ-CB 3.69Å; F64-Q252 CarbonylContact C-O 3.43Å; F64-Q252 WeakPolarHBondContact CA-O 3.24Å; F64-Q252 HydrophobicContact CB-CB 4.07Å; F64-Q252 HydrophobicContact CD1-CB 3.76Å; F64-Q252 HydrophobicContact CE1-CB 4.39Å; F64-Q252 HydrophobicContact CG-CB 3.9Å; F64-Y253 HydrophobicContact CD1-CD1 4.14Å; F64-Y253 AromaticContact CD1-CE1 3.86Å; F64-Y253 HydrophobicContact CD1-CE1 3.86Å; F64-Y253 HydrophobicContact CE1-CD1 4.31Å; F64-Y253 AromaticContact CE1-CE1 3.61Å; F64-Y253 HydrophobicContact CE1-CE1 3.61Å; F64-Y253 HydrophobicContact CE1-CE2 4.34Å; F64-Y253 AromaticContact CE1-CZ 3.65Å
65V96.4Very high93.7Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-63.9-25.5-176.5-67.70000113.9I8 L63 D67 L68 R86 V90 Q252 Y253 L255I8-V65 VanDerWaalsContact O-CG2 3.29Å; I8-V65 WeakPolarHBondContact O-CG2 3.1Å; L63-V65 VanDerWaalsContact C-N 3.27Å; L63-V65 PolarHBondContact O-N 3.21Å; V65-D67 VanDerWaalsContact C-N 3.26Å; V65-D67 PolarHBondContact O-N 2.89Å; V65-L68 HydrophobicContact CG1-CD1 4.44Å; V65-L68 WeakPolarHBondContact O-CB 3.15Å; V65-L68 PolarHBondContact O-N 3.21Å; V65-R86 HydrophobicContact CG1-CG 4.25Å; V65-V90 HydrophobicContact CG1-CG2 4.45Å; V65-Q252 PolarHBondContact N-O 3.25Å; V65-Q252 VanDerWaalsContact N-O 3.13Å; V65-Y253 WeakPolarHBondContact CG2-O 3.33Å; V65-L255 HydrophobicContact CB-CB 4.22Å; V65-L255 HydrophobicContact CG2-CB 3.96Å
66D96.4Very high94Very high18 Ų1828.2 Ų28.210%0.09615%0.147CC..Hα-helixtrans-68.1-26.2172.2175.879.5000112F64 L68 G114 K161 T251 Q252F64-D66 PolarHBondContact O-N 2.89Å; D66-L68 PolarHBondContact O-N 3.01Å; D66-G114 VanDerWaalsContact O-CA 3.28Å; D66-G114 WeakPolarHBondContact O-CA 3.37Å; D66-K161 IonicContact OD1-NZ 2.63Å; D66-K161 PolarHBondContact OD1-NZ 2.81Å; D66-K161 IonicContact OD2-NZ 2.61Å; D66-K161 PolarHBondContact OD2-NZ 2.68Å; D66-T251 WeakPolarHBondContact CB-O 3.48Å; D66-Q252 PolarHBondContact N-O 2.76Å; D66-Q252 VanDerWaalsContact N-O 3.11Å
67D96.3Very high94.4Very high10 Ų1019.7 Ų19.75%0.05310%0.102CC..Hα-helixtrans-70.9-19.3177.1-78.5-8.9000112.4F64 V65 C113 G114 S115 R131 Q252F64-D67 HydrophobicContact CB-CB 4.17Å; F64-D67 WeakPolarHBondContact O-CB 3.46Å; F64-D67 PolarHBondContact O-N 2.83Å; V65-D67 VanDerWaalsContact C-N 3.26Å; V65-D67 PolarHBondContact O-N 2.89Å; D67-C113 PolarHBondContact OD1-SG 2.74Å; D67-C113 PolarHBondContact OD2-SG 3.26Å; D67-C113 VanDerWaalsContact OD2-SG 3.35Å; D67-G114 PolarHBondContact O-N 3.2Å; D67-S115 WeakPolarHBondContact OD1-CB 3.31Å; D67-S115 PolarHBondContact OD1-N 2.95Å; D67-S115 PolarHBondContact OD1-OG 3.27Å; D67-R131 IonicContact OD2-NH1 3.68Å; D67-R131 PolarHBondContact OD2-NH1 3.46Å; D67-R131 VanDerWaalsContact OD2-NH1 3.07Å; D67-Q252 PolarHBondContact OD2-NE2 2.83Å
68L96.6Very high94.8Very high7 Ų717.9 Ų17.94%0.0379%0.091CC..Hα-helixtrans-78.6-32.8-175.8-62173.3000113.5V65 D66 I78 T79 Q82 R86 A87 V90V65-L68 HydrophobicContact CG1-CD1 4.44Å; V65-L68 WeakPolarHBondContact O-CB 3.15Å; V65-L68 PolarHBondContact O-N 3.21Å; D66-L68 PolarHBondContact O-N 3.01Å; L68-I78 CarbonylContact O-C 3.48Å; L68-I78 WeakPolarHBondContact O-CA 3.39Å; L68-I78 VanDerWaalsContact O-CG1 3.3Å; L68-I78 WeakPolarHBondContact O-CG1 3.25Å; L68-T79 PolarHBondContact O-N 3.22Å; L68-Q82 HydrophobicContact CD2-CB 3.95Å; L68-Q82 HydrophobicContact CD2-CG 3.51Å; L68-R86 HydrophobicContact CD1-CB 4.33Å; L68-R86 HydrophobicContact CD1-CG 3.61Å; L68-A87 HydrophobicContact CD2-CB 4.12Å; L68-V90 HydrophobicContact CD1-CB 4.43Å; L68-V90 HydrophobicContact CD1-CG2 3.96Å
69A97Very high94.9Very high3 Ų315.5 Ų15.53%0.0258%0.08CC..EExtended strand (participates in β ladder)trans-145.3141.8-168.400000113.8I71 L77 I78 L255A69-I71 HydrophobicContact CB-CD1 4.36Å; A69-I71 HydrophobicContact CB-CG1 4.18Å; A69-L77 CarbonylContact C-O 3.58Å; A69-L77 VanDerWaalsContact CA-O 3.23Å; A69-L77 WeakPolarHBondContact CA-O 3.4Å; A69-I78 HydrophobicContact CB-CB 4.33Å; A69-I78 HydrophobicContact CB-CG1 4.18Å; A69-L255 HydrophobicContact CB-CD1 4.29Å; A69-L255 HydrophobicContact CB-CD2 4.13Å
70V97.4Very high94.7Very high11 Ų1117.2 Ų17.27%0.0679%0.09CC..EExtended strand (participates in β ladder)trans-100.1128.3162.8-178.90000107.8A76 L77 F112 V117 F124 F144V70-A76 WeakPolarHBondContact O-CA 3.24Å; V70-L77 PolarHBondContact N-O 3.36Å; V70-L77 PolarHBondContact O-N 3.04Å; V70-F112 HydrophobicContact CG2-CD2 4.09Å; V70-F112 HydrophobicContact CG2-CE2 3.65Å; V70-F112 HydrophobicContact CG2-CZ 4.36Å; V70-V117 HydrophobicContact CG1-CG1 3.94Å; V70-V117 HydrophobicContact CG2-CB 3.75Å; V70-V117 HydrophobicContact CG2-CG1 3.76Å; V70-V117 HydrophobicContact CG2-CG2 3.75Å; V70-F124 HydrophobicContact CG1-CD1 4.4Å; V70-F124 HydrophobicContact CG1-CE1 3.7Å; V70-F144 HydrophobicContact CB-CE2 3.97Å; V70-F144 HydrophobicContact CB-CZ 4.31Å; V70-F144 HydrophobicContact CG1-CD2 4.36Å; V70-F144 HydrophobicContact CG1-CE2 3.54Å; V70-F144 HydrophobicContact CG1-CZ 3.98Å; V70-F144 WeakPolarHBondContact O-CZ 3.46Å
71I96.1Very high94.1Very high31 Ų3120.8 Ų20.816%0.15911%0.109CC..EExtended strand (participates in β ladder)trans-125126.3-175.1-58.7-177.1000110A69 T75 A76 L94 F99 L255 L257A69-I71 HydrophobicContact CB-CD1 4.36Å; A69-I71 HydrophobicContact CB-CG1 4.18Å; I71-T75 WeakPolarHBondContact CA-O 3.37Å; I71-A76 HydrophobicContact CD1-CB 4.34Å; I71-A76 HydrophobicContact CG1-CB 3.9Å; I71-L94 HydrophobicContact CD1-CD1 4.19Å; I71-L94 HydrophobicContact CD1-CD2 3.66Å; I71-F99 HydrophobicContact CG2-CD1 4.02Å; I71-F99 HydrophobicContact CG2-CE1 3.6Å; I71-L255 HydrophobicContact CD1-CD1 3.74Å; I71-L255 HydrophobicContact CD1-CD2 3.91Å; I71-L255 HydrophobicContact CD1-CG 3.88Å; I71-L255 HydrophobicContact CG1-CD1 4.22Å; I71-L257 HydrophobicContact CD1-CD2 3.17Å; I71-L257 HydrophobicContact CG1-CD2 4.49Å; I71-L257 HydrophobicContact CG2-CD2 4.46Å
72C94.5Very high93.2Very high4 Ų419.5 Ų19.53%0.02710%0.104CC..EExtended strand (participates in β ladder)trans-149.8136.7174.9-173.30000110.1G74 T75 F119 F124 F144 Y147C72-G74 PolarHBondContact O-N 2.94Å; C72-T75 PolarHBondContact N-O 2.96Å; C72-T75 WeakPolarHBondContact O-CA 3.36Å; C72-T75 WeakPolarHBondContact O-CB 3.5Å; C72-T75 PolarHBondContact O-N 3.32Å; C72-F119 HydrophobicContact CB-CE1 4.47Å; C72-F119 VanDerWaalsContact SG-CE1 3.55Å; C72-F119 WeakPolarHBondContact SG-CZ 3.42Å; C72-F124 HydrophobicContact CB-CZ 3.84Å; C72-F144 HydrophobicContact CB-CD1 3.7Å; C72-F144 HydrophobicContact CB-CE1 3.63Å; C72-F144 HydrophobicContact CB-CG 4.46Å; C72-F144 HydrophobicContact CB-CZ 4.34Å; C72-Y147 WeakPolarHBondContact SG-CE2 3.41Å
73N89.1Confident92.1Very high74 Ų7422 Ų2240%0.39612%0.12SC..THydrogen-bonded Turntrans42.360.8175.7-63.8-17.2000114.1T75 Y147 I260N73-T75 PolarHBondContact O-N 3.37Å; N73-T75 PolarHBondContact O-OG1 3.16Å; N73-Y147 WeakPolarHBondContact ND2-CE2 3.4Å; N73-Y147 PolarHBondContact ND2-OH 3.03Å; N73-I260 WeakPolarHBondContact O-CD1 3.43Å
74G91.4Very high91.3Very high7 Ų724.1 Ų24.17%0.07214%0.142CC..THydrogen-bonded Turntrans62.713.6177.200000114.9C72 F99 R100C72-G74 PolarHBondContact O-N 2.94Å; G74-F99 VanDerWaalsContact C-CD1 3.47Å; G74-F99 WeakPolarHBondContact O-CA 3.13Å; G74-R100 PolarHBondContact O-N 2.6Å
75T95.7Very high90.9Very high3 Ų328.9 Ų28.92%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-122.1134.6178.5-48.10000108.8I71 C72 N73 R100 T143 F144I71-T75 WeakPolarHBondContact CA-O 3.37Å; C72-T75 PolarHBondContact N-O 2.96Å; C72-T75 WeakPolarHBondContact O-CA 3.36Å; C72-T75 WeakPolarHBondContact O-CB 3.5Å; C72-T75 PolarHBondContact O-N 3.32Å; N73-T75 PolarHBondContact O-N 3.37Å; N73-T75 PolarHBondContact O-OG1 3.16Å; T75-R100 CarbonylContact C-O 3.53Å; T75-R100 VanDerWaalsContact CA-O 3.3Å; T75-R100 WeakPolarHBondContact CA-O 3.3Å; T75-R100 HydrophobicContact CG2-CB 4.35Å; T75-R100 PolarHBondContact OG1-NE 3.39Å; T75-R100 PolarHBondContact OG1-NH2 3.25Å; T75-T143 HydrophobicContact CG2-CG2 4.11Å; T75-F144 HydrophobicContact CG2-CE1 4.31Å
76A97.3Very high90.8Very high0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-118.4130.6176.100000109.6V70 I71 L94 R100 V101 K102V70-A76 WeakPolarHBondContact O-CA 3.24Å; I71-A76 HydrophobicContact CD1-CB 4.34Å; I71-A76 HydrophobicContact CG1-CB 3.9Å; A76-L94 HydrophobicContact CB-CD1 3.81Å; A76-R100 PolarHBondContact N-O 3.23Å; A76-V101 HydrophobicContact CB-CG2 4.4Å; A76-K102 PolarHBondContact O-N 2.96Å
77L97.5Very high90.7Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-98.5117.9161.3179.361.6000107.1A69 V70 K102 L104 F112 E139 V140 T143 F144A69-L77 CarbonylContact C-O 3.58Å; A69-L77 VanDerWaalsContact CA-O 3.23Å; A69-L77 WeakPolarHBondContact CA-O 3.4Å; V70-L77 PolarHBondContact N-O 3.36Å; V70-L77 PolarHBondContact O-N 3.04Å; L77-K102 CarbonylContact C-O 3.54Å; L77-K102 WeakPolarHBondContact CA-O 3.36Å; L77-K102 HydrophobicContact CD1-CB 4.23Å; L77-L104 HydrophobicContact CD1-CD1 4.32Å; L77-L104 HydrophobicContact CD2-CD1 4.39Å; L77-F112 HydrophobicContact CD2-CD1 4.4Å; L77-F112 HydrophobicContact CD2-CE1 4.1Å; L77-F112 HydrophobicContact CG-CE1 3.85Å; L77-F112 HydrophobicContact CG-CZ 4.26Å; L77-F112 WeakPolarHBondContact O-CZ 3.36Å; L77-E139 HydrophobicContact CD2-CB 4.27Å; L77-V140 HydrophobicContact CD2-CB 4.45Å; L77-V140 HydrophobicContact CD2-CG2 3.88Å; L77-T143 HydrophobicContact CB-CG2 4.01Å; L77-F144 HydrophobicContact CB-CE2 4.09Å; L77-F144 HydrophobicContact CB-CZ 4.18Å
78I97Very high90.6Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-116.1137.8-176.9-164.6170.6000111.2L68 A69 L80 A87 V90 M91 V101 K102 T103 L104L68-I78 CarbonylContact O-C 3.48Å; L68-I78 WeakPolarHBondContact O-CA 3.39Å; L68-I78 VanDerWaalsContact O-CG1 3.3Å; L68-I78 WeakPolarHBondContact O-CG1 3.25Å; A69-I78 HydrophobicContact CB-CB 4.33Å; A69-I78 HydrophobicContact CB-CG1 4.18Å; I78-L80 HydrophobicContact CG2-CD2 4.41Å; I78-A87 VanDerWaalsContact CD1-O 3.29Å; I78-A87 WeakPolarHBondContact CD1-O 3.32Å; I78-V90 HydrophobicContact CD1-CB 4.32Å; I78-V90 HydrophobicContact CD1-CG1 4.06Å; I78-M91 HydrophobicContact CD1-CB 3.95Å; I78-V101 HydrophobicContact CB-CG1 4.39Å; I78-V101 HydrophobicContact CG2-CG1 3.64Å; I78-K102 PolarHBondContact N-O 3.11Å; I78-T103 HydrophobicContact CG2-CG2 4.02Å; I78-T103 CarbonylContact O-C 3.57Å; I78-T103 WeakPolarHBondContact O-CA 3.4Å; I78-L104 PolarHBondContact O-N 2.98Å
79T94.7Very high90.5Very high2 Ų234.2 Ų34.21%0.01219%0.192CC..  trans-92.2140167.4-173.60000110.6L68 D81 F112L68-T79 PolarHBondContact O-N 3.22Å; T79-D81 VanDerWaalsContact CG2-OD1 3.32Å; T79-D81 WeakPolarHBondContact CG2-OD1 3.17Å; T79-D81 PolarHBondContact OG1-N 3.05Å; T79-D81 PolarHBondContact OG1-OD1 3.26Å; T79-D81 PolarHBondContact OG1-OD2 3.33Å; T79-F112 HydrophobicContact CG2-CE1 4.47Å; T79-F112 HydrophobicContact CG2-CZ 4.33Å
80L88.2Confident90.5Very high68 Ų6834.1 Ų34.136%0.35619%0.19SC..  trans-108.713.1176.6-56.5-178.5000111.7I78 Q82 A87 T103I78-L80 HydrophobicContact CG2-CD2 4.41Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 3.48Å; L80-A87 HydrophobicContact CD2-CB 3.8Å; L80-T103 HydrophobicContact CD1-CG2 3.97Å; L80-T103 HydrophobicContact CG-CG2 4.43Å
81D80Confident90.5Very high78 Ų7835.8 Ų35.842%0.41720%0.198SC..  trans-84.64.2-174.571.2-11.4000114.4T79T79-D81 VanDerWaalsContact CG2-OD1 3.32Å; T79-D81 WeakPolarHBondContact CG2-OD1 3.17Å; T79-D81 PolarHBondContact OG1-N 3.05Å; T79-D81 PolarHBondContact OG1-OD1 3.26Å; T79-D81 PolarHBondContact OG1-OD2 3.33Å
82Q74.2Confident90.5Very high61 Ų6136.9 Ų36.929%0.28521%0.212SC..SBendtrans-86.3144.2173.5-62.8-51.6-50.700111.7L68 L80L68-Q82 HydrophobicContact CD2-CB 3.95Å; L68-Q82 HydrophobicContact CD2-CG 3.51Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 3.48Å
83P68.6Low90.6Very high61 Ų6137.8 Ų37.840%0.39622%0.216SC..SBendtrans-66.4155172.730.8-35.3000110.6K61K61-P83 VanDerWaalsContact CE-CD 3.5Å; K61-P83 VanDerWaalsContact NZ-CG 3.28Å
84G77.4Confident91Very high45 Ų4534.3 Ų34.346%0.46420%0.197SC..SBendtrans94.4-162.9-179.900000113
85Q87.8Confident91.2Very high124 Ų12438.6 Ų38.658%0.57922%0.218SC*.SBendtrans-110.1-6.2179.7-63.4-58.3-29.700112.9E55 A87 N88 E89E55-Q85 WeakPolarHBondContact OE1-CA 3.44Å; E55-Q85 PolarHBondContact OE1-N 2.96Å; Q85-A87 VanDerWaalsContact C-N 3.26Å; Q85-A87 PolarHBondContact O-N 3.01Å; Q85-A87 VanDerWaalsContact O-N 3.17Å; Q85-N88 WeakPolarHBondContact O-CA 3.41Å; Q85-N88 WeakPolarHBondContact O-CB 3.42Å; Q85-N88 PolarHBondContact O-N 3.41Å; Q85-N88 PolarHBondContact OE1-ND2 2.97Å; Q85-E89 PolarHBondContact O-N 2.94Å
86R93.8Very high91.3Very high5 Ų546.2 Ų46.22%0.01925%0.254CS..Hα-helixtrans-54-41.6-174.9-172.165.970.9-154.37.6113S10 A53 E55 S62 V65 L68 N88 E89 V90S10-R86 VanDerWaalsContact OG-CZ 3.32Å; S10-R86 PolarHBondContact OG-NE 3.43Å; S10-R86 PolarHBondContact OG-NH2 3.26Å; A53-R86 PolarHBondContact O-NH1 2.9Å; A53-R86 PolarHBondContact O-NH2 3.45Å; E55-R86 HydrophobicContact CG-CB 4.38Å; E55-R86 PolarHBondContact OE1-N 3.42Å; E55-R86 WeakPolarHBondContact OE2-CB 3.35Å; S62-R86 PolarHBondContact O-NE 3.27Å; V65-R86 HydrophobicContact CG1-CG 4.25Å; L68-R86 HydrophobicContact CD1-CB 4.33Å; L68-R86 HydrophobicContact CD1-CG 3.61Å; R86-N88 VanDerWaalsContact C-N 3.33Å; R86-N88 PolarHBondContact O-N 2.92Å; R86-E89 IonicContact CZ-OE2 2.58Å; R86-E89 IonicContact NH1-OE1 2.97Å; R86-E89 IonicContact NH1-OE2 3.83Å; R86-E89 PolarHBondContact NH1-OE2 2.8Å; R86-E89 PolarHBondContact O-N 3.33Å; R86-V90 HydrophobicContact CG-CG2 4.27Å; R86-V90 WeakPolarHBondContact O-CB 3.42Å; R86-V90 VanDerWaalsContact O-CG2 3.29Å; R86-V90 WeakPolarHBondContact O-CG2 3.36Å; R86-V90 PolarHBondContact O-N 2.86Å
87A93.9Very high91.1Very high6 Ų647.2 Ų47.25%0.0526%0.259CS..Hα-helixtrans-62.3-40.1177.600000112.2L68 I78 L80 Q85 M91L68-A87 HydrophobicContact CD2-CB 4.12Å; I78-A87 VanDerWaalsContact CD1-O 3.29Å; I78-A87 WeakPolarHBondContact CD1-O 3.32Å; L80-A87 HydrophobicContact CD2-CB 3.8Å; Q85-A87 VanDerWaalsContact C-N 3.26Å; Q85-A87 PolarHBondContact O-N 3.01Å; Q85-A87 VanDerWaalsContact O-N 3.17Å; A87-M91 VanDerWaalsContact O-CB 3.31Å; A87-M91 WeakPolarHBondContact O-CB 3.4Å; A87-M91 PolarHBondContact O-N 2.74Å
88N94.1Very high91Very high66 Ų6650.1 Ų50.135%0.35329%0.289SS..Hα-helixtrans-69.6-39.9177-66.7-41000111.8Q85 R86 M91 A92Q85-N88 WeakPolarHBondContact O-CA 3.41Å; Q85-N88 WeakPolarHBondContact O-CB 3.42Å; Q85-N88 PolarHBondContact O-N 3.41Å; Q85-N88 PolarHBondContact OE1-ND2 2.97Å; R86-N88 VanDerWaalsContact C-N 3.33Å; R86-N88 PolarHBondContact O-N 2.92Å; N88-M91 WeakPolarHBondContact O-CB 3.3Å; N88-M91 PolarHBondContact O-N 2.69Å; N88-A92 WeakPolarHBondContact O-CB 3.39Å; N88-A92 PolarHBondContact O-N 2.92Å
89E95.4Very high91Very high70 Ų7050.6 Ų50.633%0.32729%0.291SS..Hα-helixtrans-65.3-47176.7-173.4-177.2-169.200111.5L52 Q85 R86 M91 A92 L93L52-E89 HydrophobicContact CD2-CG 4.36Å; Q85-E89 PolarHBondContact O-N 2.94Å; R86-E89 IonicContact CZ-OE2 2.58Å; R86-E89 IonicContact NH1-OE1 2.97Å; R86-E89 IonicContact NH1-OE2 3.83Å; R86-E89 PolarHBondContact NH1-OE2 2.8Å; R86-E89 PolarHBondContact O-N 3.33Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.36Å; E89-A92 PolarHBondContact O-N 2.9Å; E89-L93 WeakPolarHBondContact O-CB 3.49Å; E89-L93 PolarHBondContact O-N 2.71Å
90V96.5Very high91Very high0 Ų058.7 Ų58.70%032%0.321CS..Hα-helixtrans-61.4-40.9175171.10000110.6I8 L52 V65 L68 I78 R86 L93 L94 L255I8-V90 HydrophobicContact CD1-CG1 4.42Å; L52-V90 HydrophobicContact CD1-CG2 3.95Å; V65-V90 HydrophobicContact CG1-CG2 4.45Å; L68-V90 HydrophobicContact CD1-CB 4.43Å; L68-V90 HydrophobicContact CD1-CG2 3.96Å; I78-V90 HydrophobicContact CD1-CB 4.32Å; I78-V90 HydrophobicContact CD1-CG1 4.06Å; R86-V90 HydrophobicContact CG-CG2 4.27Å; R86-V90 WeakPolarHBondContact O-CB 3.42Å; R86-V90 VanDerWaalsContact O-CG2 3.29Å; R86-V90 WeakPolarHBondContact O-CG2 3.36Å; R86-V90 PolarHBondContact O-N 2.86Å; V90-L93 PolarHBondContact O-N 3.01Å; V90-L94 HydrophobicContact CG1-CD1 3.86Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 WeakPolarHBondContact O-CG 3.47Å; V90-L94 PolarHBondContact O-N 3.26Å; V90-L255 HydrophobicContact CG1-CD2 3.78Å
91M96.6Very high91.4Very high47 Ų4757 Ų5723%0.23231%0.314CS..Hα-helixtrans-58.8-49.2173.7178.6173.669.600112.1I78 A87 N88 E89 L93 L94 L95 V101 T103I78-M91 HydrophobicContact CD1-CB 3.95Å; A87-M91 VanDerWaalsContact O-CB 3.31Å; A87-M91 WeakPolarHBondContact O-CB 3.4Å; A87-M91 PolarHBondContact O-N 2.74Å; N88-M91 WeakPolarHBondContact O-CB 3.3Å; N88-M91 PolarHBondContact O-N 2.69Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.36Å; M91-L93 VanDerWaalsContact C-N 3.34Å; M91-L93 PolarHBondContact O-N 3.44Å; M91-L94 PolarHBondContact O-N 2.98Å; M91-L95 HydrophobicContact CG-CD1 4.23Å; M91-L95 WeakPolarHBondContact O-CG 3.41Å; M91-L95 PolarHBondContact O-N 3.12Å; M91-V101 HydrophobicContact CG-CG1 4.01Å; M91-T103 HydrophobicContact SD-CG2 3.96Å
92A96.8Very high92.2Very high54 Ų5456.9 Ų56.945%0.44631%0.31SS..Hα-helixtrans-61.1-44.1-179.900000111.4N88 E89 L95 E96N88-A92 WeakPolarHBondContact O-CB 3.39Å; N88-A92 PolarHBondContact O-N 2.92Å; E89-A92 PolarHBondContact O-N 2.9Å; A92-L95 WeakPolarHBondContact O-CB 3.31Å; A92-L95 PolarHBondContact O-N 3.11Å; A92-E96 PolarHBondContact O-N 3.46Å
93L97Very high93.1Very high23 Ų2357.1 Ų57.112%0.1232%0.316CS..Hα-helixtrans-62.6-43.3177-179.659.6000112.3I8 I50 L52 E89 V90 M91 L95 E96 L97I8-L93 HydrophobicContact CD1-CD2 3.58Å; I8-L93 HydrophobicContact CD1-CG 4.27Å; I8-L93 HydrophobicContact CG1-CD2 3.74Å; I8-L93 HydrophobicContact CG2-CD2 4.38Å; I50-L93 HydrophobicContact CB-CD2 4.33Å; I50-L93 HydrophobicContact CD1-CD1 4.01Å; I50-L93 HydrophobicContact CD1-CD2 4.02Å; I50-L93 HydrophobicContact CD1-CG 4.37Å; I50-L93 HydrophobicContact CG2-CD1 4.47Å; I50-L93 HydrophobicContact CG2-CD2 3.73Å; L52-L93 HydrophobicContact CD2-CD2 4.1Å; E89-L93 WeakPolarHBondContact O-CB 3.49Å; E89-L93 PolarHBondContact O-N 2.71Å; V90-L93 PolarHBondContact O-N 3.01Å; M91-L93 VanDerWaalsContact C-N 3.34Å; M91-L93 PolarHBondContact O-N 3.44Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 2.65Å; L93-E96 PolarHBondContact O-N 3.02Å; L93-L97 HydrophobicContact CD1-CD1 4.17Å; L93-L97 HydrophobicContact CD1-CG 4.23Å; L93-L97 HydrophobicContact CG-CD1 4.05Å; L93-L97 WeakPolarHBondContact O-CB 3.19Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.48Å; L93-L97 PolarHBondContact O-N 3.02Å
94L97Very high94.2Very high0 Ų054.7 Ų54.70%030%0.299CS..Hα-helixtrans-61.7-40.7176.6-72.8169.7000111.7I8 I71 A76 V90 M91 L97 G98 F99 V101 L257I8-L94 HydrophobicContact CD1-CD2 4.47Å; I71-L94 HydrophobicContact CD1-CD1 4.19Å; I71-L94 HydrophobicContact CD1-CD2 3.66Å; A76-L94 HydrophobicContact CB-CD1 3.81Å; V90-L94 HydrophobicContact CG1-CD1 3.86Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.49Å; V90-L94 WeakPolarHBondContact O-CG 3.47Å; V90-L94 PolarHBondContact O-N 3.26Å; M91-L94 PolarHBondContact O-N 2.98Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-G98 PolarHBondContact O-N 3.22Å; L94-F99 HydrophobicContact CB-CB 4.23Å; L94-F99 HydrophobicContact CD2-CD2 4.06Å; L94-F99 HydrophobicContact CD2-CE2 4.44Å; L94-F99 HydrophobicContact CD2-CG 4.15Å; L94-F99 WeakPolarHBondContact O-CB 3.33Å; L94-F99 WeakPolarHBondContact O-CD2 3.46Å; L94-F99 PolarHBondContact O-N 3Å; L94-V101 HydrophobicContact CB-CG2 3.71Å; L94-L257 HydrophobicContact CD2-CD1 4.02Å; L94-L257 HydrophobicContact CD2-CD2 3.75Å
95L96.6Very high94.3Very high98 Ų9854.1 Ų54.151%0.51329%0.288SS..Hα-helixtrans-63-45174.6-70.5167.8000111.5M91 A92 L93 L97 G98 V101M91-L95 HydrophobicContact CG-CD1 4.23Å; M91-L95 WeakPolarHBondContact O-CG 3.41Å; M91-L95 PolarHBondContact O-N 3.12Å; A92-L95 WeakPolarHBondContact O-CB 3.31Å; A92-L95 PolarHBondContact O-N 3.11Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 2.65Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 2.96Å; L95-G98 WeakPolarHBondContact O-CA 3.19Å; L95-G98 PolarHBondContact O-N 3.39Å; L95-V101 HydrophobicContact CD2-CB 4.12Å; L95-V101 HydrophobicContact CD2-CG2 3.84Å; L95-V101 HydrophobicContact CG-CB 4.43Å; L95-V101 HydrophobicContact CG-CG2 3.89Å
96E96Very high93.5Very high163 Ų16354.5 Ų54.576%0.76229%0.294SS*.Hα-helixtrans-60.7-39.7176.9-175.1178.8169.100112.1A92 L93 G98A92-E96 PolarHBondContact O-N 3.46Å; L93-E96 PolarHBondContact O-N 3.02Å; E96-G98 PolarHBondContact O-N 3.38Å
97L94.9Very high92.6Very high21 Ų2161.3 Ų61.311%0.1133%0.331CS..THydrogen-bonded Turntrans-72.8-5.5176.1-67.4174000113.5I50 L93 L94 L95 F99 L257 K259I50-L97 HydrophobicContact CD1-CD1 3.91Å; I50-L97 HydrophobicContact CD1-CD2 4.44Å; L93-L97 HydrophobicContact CD1-CD1 4.17Å; L93-L97 HydrophobicContact CD1-CG 4.23Å; L93-L97 HydrophobicContact CG-CD1 4.05Å; L93-L97 WeakPolarHBondContact O-CB 3.19Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.48Å; L93-L97 PolarHBondContact O-N 3.02Å; L94-L97 PolarHBondContact O-N 2.88Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 2.96Å; L97-F99 HydrophobicContact CB-CD2 3.88Å; L97-F99 HydrophobicContact CB-CE2 3.96Å; L97-L257 HydrophobicContact CD1-CD1 3.51Å; L97-K259 VanDerWaalsContact O-CE 3.3Å; L97-K259 WeakPolarHBondContact O-CE 3.33Å
98G94.5Very high91.8Very high61 Ų6165.9 Ų65.963%0.62936%0.355SS*.THydrogen-bonded Turntrans90.520.1174.900000114.7L94 L95 E96L94-G98 PolarHBondContact O-N 3.22Å; L95-G98 WeakPolarHBondContact O-CA 3.19Å; L95-G98 PolarHBondContact O-N 3.39Å; E96-G98 PolarHBondContact O-N 3.38Å
99F96Very high91.5Very high9 Ų969 Ų694%0.03937%0.371CS..  trans-79.1145.1174.3-71.1-103000111.2I71 G74 L94 L97 V101 L257I71-F99 HydrophobicContact CG2-CD1 4.02Å; I71-F99 HydrophobicContact CG2-CE1 3.6Å; G74-F99 VanDerWaalsContact C-CD1 3.47Å; G74-F99 WeakPolarHBondContact O-CA 3.13Å; L94-F99 HydrophobicContact CB-CB 4.23Å; L94-F99 HydrophobicContact CD2-CD2 4.06Å; L94-F99 HydrophobicContact CD2-CE2 4.44Å; L94-F99 HydrophobicContact CD2-CG 4.15Å; L94-F99 WeakPolarHBondContact O-CB 3.33Å; L94-F99 WeakPolarHBondContact O-CD2 3.46Å; L94-F99 PolarHBondContact O-N 3Å; L97-F99 HydrophobicContact CB-CD2 3.88Å; L97-F99 HydrophobicContact CB-CE2 3.96Å; F99-V101 HydrophobicContact CB-CG2 4.45Å; F99-V101 PolarHBondContact O-N 3.25Å; F99-L257 HydrophobicContact CE2-CB 4.41Å; F99-L257 HydrophobicContact CE2-CD1 4.25Å; F99-L257 HydrophobicContact CZ-CB 3.93Å
100R96Very high91.4Very high172 Ų17266.1 Ų66.165%0.64936%0.359SS*.EExtended strand (participates in β ladder)trans-76.6113.8163.3-64.2-177-60.3173.20.7108.1G74 T75 A76G74-R100 PolarHBondContact O-N 2.6Å; T75-R100 CarbonylContact C-O 3.53Å; T75-R100 VanDerWaalsContact CA-O 3.3Å; T75-R100 WeakPolarHBondContact CA-O 3.3Å; T75-R100 HydrophobicContact CG2-CB 4.35Å; T75-R100 PolarHBondContact OG1-NE 3.39Å; T75-R100 PolarHBondContact OG1-NH2 3.25Å; A76-R100 PolarHBondContact N-O 3.23Å
101V96.6Very high91.3Very high34 Ų3468 Ų6821%0.20637%0.371CS..EExtended strand (participates in β ladder)trans-101128.2179.6-172.30000110.5A76 I78 M91 L94 L95 F99A76-V101 HydrophobicContact CB-CG2 4.4Å; I78-V101 HydrophobicContact CB-CG1 4.39Å; I78-V101 HydrophobicContact CG2-CG1 3.64Å; M91-V101 HydrophobicContact CG-CG1 4.01Å; L94-V101 HydrophobicContact CB-CG2 3.71Å; L95-V101 HydrophobicContact CD2-CB 4.12Å; L95-V101 HydrophobicContact CD2-CG2 3.84Å; L95-V101 HydrophobicContact CG-CB 4.43Å; L95-V101 HydrophobicContact CG-CG2 3.89Å; F99-V101 HydrophobicContact CB-CG2 4.45Å; F99-V101 PolarHBondContact O-N 3.25Å
102K95.9Very high91.2Very high74 Ų7465.9 Ų65.932%0.32236%0.36SS..EExtended strand (participates in β ladder)trans-112.3128.3168.4-65.3-175.5-172.9167.10108.1A76 L77 I78 T143A76-K102 PolarHBondContact O-N 2.96Å; L77-K102 CarbonylContact C-O 3.54Å; L77-K102 WeakPolarHBondContact CA-O 3.36Å; L77-K102 HydrophobicContact CD1-CB 4.23Å; I78-K102 PolarHBondContact N-O 3.11Å; K102-T143 HydrophobicContact CD-CG2 3.76Å; K102-T143 PolarHBondContact NZ-O 3.45Å
103T94.7Very high91.1Very high67 Ų6763.6 Ų63.641%0.41134%0.341SS..EExtended strand (participates in β ladder)trans-84.7141.4171.955.90000109.7I78 L80 M91 S105I78-T103 HydrophobicContact CG2-CG2 4.02Å; I78-T103 CarbonylContact O-C 3.57Å; I78-T103 WeakPolarHBondContact O-CA 3.4Å; L80-T103 HydrophobicContact CD1-CG2 3.97Å; L80-T103 HydrophobicContact CG-CG2 4.43Å; M91-T103 HydrophobicContact SD-CG2 3.96Å; T103-S105 PolarHBondContact O-N 3.03Å
104L90.7Very high91.1Very high9 Ų962.6 Ų62.65%0.04734%0.336CS..PPolyproline II helixtrans-57.8135.1173.1-165.665.7000110L77 I78 N106 A110 F112 E139L77-L104 HydrophobicContact CD1-CD1 4.32Å; L77-L104 HydrophobicContact CD2-CD1 4.39Å; I78-L104 PolarHBondContact O-N 2.98Å; L104-N106 PolarHBondContact O-N 3.19Å; L104-A110 HydrophobicContact CD1-CB 4.05Å; L104-A110 HydrophobicContact CD2-CB 4.25Å; L104-A110 WeakPolarHBondContact CD2-O 3.32Å; L104-A110 HydrophobicContact CG-CB 3.98Å; L104-F112 HydrophobicContact CB-CE1 4.31Å; L104-F112 HydrophobicContact CD1-CD1 3.7Å; L104-F112 HydrophobicContact CD1-CE1 4.06Å; L104-F112 HydrophobicContact CD2-CD1 3.55Å; L104-F112 HydrophobicContact CD2-CE1 4.03Å; L104-F112 HydrophobicContact CG-CD1 4.13Å; L104-F112 HydrophobicContact CG-CE1 4.37Å; L104-E139 HydrophobicContact CD1-CB 3.54Å; L104-E139 HydrophobicContact CD1-CG 3.82Å
105S79.1Confident91.1Very high34 Ų3462.6 Ų62.624%0.23834%0.336CS..PPolyproline II helixtrans-72.1116.8-175.6-179.20000111.3T103 N107T103-S105 PolarHBondContact O-N 3.03Å; S105-N107 PolarHBondContact O-N 2.91Å; S105-N107 PolarHBondContact OG-N 3.05Å
106N72Confident91.1Very high131 Ų13157.9 Ų57.970%0.70131%0.311SS*.G310 helixtrans-65.2-21.2173-70.8-7.1000112.6L104 N108L104-N106 PolarHBondContact O-N 3.19Å; N106-N108 VanDerWaalsContact C-N 3.28Å; N106-N108 PolarHBondContact O-N 2.81Å
107N74.5Confident91.2Very high149 Ų14950.4 Ų50.480%0.79728%0.277SS*.G310 helixtrans-69.9-22.5-171.1-68.5-12.1000113.8S105S105-N107 PolarHBondContact O-N 2.91Å; S105-N107 PolarHBondContact OG-N 3.05Å
108N76.1Confident91.3Very high102 Ų10249.8 Ų49.855%0.54527%0.273SS..G310 helixtrans-108.111.5-173.8-69-11.9000113.3N106 A110 A135N106-N108 VanDerWaalsContact C-N 3.28Å; N106-N108 PolarHBondContact O-N 2.81Å; N108-A110 PolarHBondContact O-N 3.1Å; N108-A110 VanDerWaalsContact O-N 3.13Å; N108-A135 HydrophobicContact CB-CB 4.48Å
109N88.4Confident91.5Very high132 Ų13249.1 Ų49.171%0.70625%0.253SS*.THydrogen-bonded Turntrans49.732.2-166.2-63.8-19.4000111.9T111 N133N109-T111 PolarHBondContact O-N 3.44Å; N109-N133 PolarHBondContact O-ND2 3.42Å
110A93.9Very high91.5Very high9 Ų949.3 Ų49.37%0.07426%0.255CS..  trans-68.1129.2179.800000108.8L104 N108 A135 E139L104-A110 HydrophobicContact CD1-CB 4.05Å; L104-A110 HydrophobicContact CD2-CB 4.25Å; L104-A110 WeakPolarHBondContact CD2-O 3.32Å; L104-A110 HydrophobicContact CG-CB 3.98Å; N108-A110 PolarHBondContact O-N 3.1Å; N108-A110 VanDerWaalsContact O-N 3.13Å; A110-A135 HydrophobicContact CB-CB 3.86Å; A110-E139 HydrophobicContact CB-CG 4.22Å
111T94.7Very high91.4Very high40 Ų4042 Ų4225%0.24523%0.234CC..  trans-129137.8173.7610000108.5N109 R131 T132 N133 G136N109-T111 PolarHBondContact O-N 3.44Å; T111-R131 CarbonylContact C-O 3.6Å; T111-R131 WeakPolarHBondContact CB-O 3.46Å; T111-R131 PolarHBondContact OG1-O 2.91Å; T111-T132 WeakPolarHBondContact O-CA 3.26Å; T111-N133 PolarHBondContact N-OD1 2.99Å; T111-N133 PolarHBondContact O-N 3.34Å; T111-N133 PolarHBondContact OG1-N 2.89Å; T111-N133 PolarHBondContact OG1-ND2 3.45Å; T111-G136 WeakPolarHBondContact O-CA 3.19Å
112F94.3Very high91.3Very high2 Ų243.6 Ų43.61%0.00924%0.238CC..  trans-145.2157.3166.685.9-88.9000110.1V70 L77 T79 L104 V117 R131 T132V70-F112 HydrophobicContact CG2-CD2 4.09Å; V70-F112 HydrophobicContact CG2-CE2 3.65Å; V70-F112 HydrophobicContact CG2-CZ 4.36Å; L77-F112 HydrophobicContact CD2-CD1 4.4Å; L77-F112 HydrophobicContact CD2-CE1 4.1Å; L77-F112 HydrophobicContact CG-CE1 3.85Å; L77-F112 HydrophobicContact CG-CZ 4.26Å; L77-F112 WeakPolarHBondContact O-CZ 3.36Å; T79-F112 HydrophobicContact CG2-CE1 4.47Å; T79-F112 HydrophobicContact CG2-CZ 4.33Å; L104-F112 HydrophobicContact CB-CE1 4.31Å; L104-F112 HydrophobicContact CD1-CD1 3.7Å; L104-F112 HydrophobicContact CD1-CE1 4.06Å; L104-F112 HydrophobicContact CD2-CD1 3.55Å; L104-F112 HydrophobicContact CD2-CE1 4.03Å; L104-F112 HydrophobicContact CG-CD1 4.13Å; L104-F112 HydrophobicContact CG-CE1 4.37Å; F112-V117 HydrophobicContact CD2-CG2 4.35Å; F112-R131 CarbonylContact C-O 3.56Å; F112-T132 WeakPolarHBondContact CA-OG1 3.22Å; F112-T132 HydrophobicContact CB-CG2 3.83Å
113C95Very high91.4Very high6 Ų640 Ų404%0.04122%0.222CC..  trans-124130.3173.2-176.40000108.6D67 S115 D116 R131 T132D67-C113 PolarHBondContact OD1-SG 2.74Å; D67-C113 PolarHBondContact OD2-SG 3.26Å; D67-C113 VanDerWaalsContact OD2-SG 3.35Å; C113-S115 PolarHBondContact O-N 3.4Å; C113-S115 PolarHBondContact SG-OG 3.07Å; C113-D116 WeakPolarHBondContact O-CA 3.34Å; C113-D116 WeakPolarHBondContact O-CB 3.48Å; C113-D116 PolarHBondContact O-N 3.22Å; C113-R131 HydrophobicContact CB-CB 3.81Å; C113-R131 PolarHBondContact SG-NH1 3.39Å; C113-T132 PolarHBondContact N-OG1 3.32Å
114G96.6Very high91.6Very high1 Ų136.9 Ų36.91%0.0120%0.203CC..G310 helixtrans-60.5-29.2-177.300000114.4D66 D67 D116 V117 K161D66-G114 VanDerWaalsContact O-CA 3.28Å; D66-G114 WeakPolarHBondContact O-CA 3.37Å; D67-G114 PolarHBondContact O-N 3.2Å; G114-D116 PolarHBondContact O-N 2.93Å; G114-V117 PolarHBondContact O-N 2.93Å; G114-K161 VanDerWaalsContact O-CE 3.22Å; G114-K161 WeakPolarHBondContact O-CE 2.94Å; G114-K161 PolarHBondContact O-NZ 3.23Å; G114-K161 VanDerWaalsContact O-NZ 3.11Å
115S96.3Very high92Very high0 Ų036.4 Ų36.40%020%0.201CC..G310 helixtrans-66.9-14.8170.652.80000114.9D67 C113 V117 R131 P159 L160 K161D67-S115 WeakPolarHBondContact OD1-CB 3.31Å; D67-S115 PolarHBondContact OD1-N 2.95Å; D67-S115 PolarHBondContact OD1-OG 3.27Å; C113-S115 PolarHBondContact O-N 3.4Å; C113-S115 PolarHBondContact SG-OG 3.07Å; S115-V117 VanDerWaalsContact C-N 3.33Å; S115-R131 PolarHBondContact OG-NH2 2.93Å; S115-P159 WeakPolarHBondContact O-CB 3.21Å; S115-P159 WeakPolarHBondContact OG-CB 3.4Å; S115-L160 PolarHBondContact O-N 2.83Å; S115-K161 WeakPolarHBondContact O-CB 3.33Å; S115-K161 VanDerWaalsContact O-CG 3.31Å; S115-K161 WeakPolarHBondContact O-CG 3.48Å; S115-K161 PolarHBondContact O-N 3.34Å
116D97.7Very high92.9Very high0 Ų034.8 Ų34.80%019%0.189CC..G310 helixtrans-86.5-3.2170.2-73.5-33.4000113.3C113 G114 V126 A127 S129 T132 P159 L160C113-D116 WeakPolarHBondContact O-CA 3.34Å; C113-D116 WeakPolarHBondContact O-CB 3.48Å; C113-D116 PolarHBondContact O-N 3.22Å; G114-D116 PolarHBondContact O-N 2.93Å; D116-V126 CarbonylContact O-C 3.56Å; D116-V126 WeakPolarHBondContact O-CA 3.35Å; D116-A127 HydrophobicContact CB-CB 3.94Å; D116-A127 PolarHBondContact O-N 2.85Å; D116-S129 PolarHBondContact OD2-OG 2.99Å; D116-T132 HydrophobicContact CB-CG2 4.42Å; D116-T132 VanDerWaalsContact CB-OG1 3.26Å; D116-T132 WeakPolarHBondContact CB-OG1 3.45Å; D116-T132 WeakPolarHBondContact OD2-CB 3.36Å; D116-T132 PolarHBondContact OD2-OG1 3.31Å; D116-P159 WeakPolarHBondContact OD1-CA 3.38Å; D116-P159 WeakPolarHBondContact OD1-CB 3.17Å; D116-L160 WeakPolarHBondContact O-CD2 3.33Å; D116-L160 PolarHBondContact OD1-N 3.35Å
117V98.1Very high94.2Very high6 Ų628.6 Ų28.64%0.03616%0.156CC..EExtended strand (participates in β ladder)trans-114.6113.3-176.3-176.10000110.4V70 F112 G114 S115 F124 F125 V126 V140 K161V70-V117 HydrophobicContact CG1-CG1 3.94Å; V70-V117 HydrophobicContact CG2-CB 3.75Å; V70-V117 HydrophobicContact CG2-CG1 3.76Å; V70-V117 HydrophobicContact CG2-CG2 3.75Å; F112-V117 HydrophobicContact CD2-CG2 4.35Å; G114-V117 PolarHBondContact O-N 2.93Å; S115-V117 VanDerWaalsContact C-N 3.33Å; V117-F124 HydrophobicContact CG1-CD1 3.77Å; V117-F124 HydrophobicContact CG1-CE1 4.39Å; V117-F125 WeakPolarHBondContact CA-O 3.35Å; V117-V126 HydrophobicContact CG1-CG2 4.25Å; V117-V126 HydrophobicContact CG2-CG1 4.15Å; V117-V126 HydrophobicContact CG2-CG2 4.22Å; V117-V140 HydrophobicContact CG1-CG1 4.48Å; V117-V140 HydrophobicContact CG2-CG2 4.4Å; V117-K161 WeakPolarHBondContact O-CE 3.3Å
118L97.4Very high95.3Very high7 Ų724 Ų244%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-102115.2173.4-176.673.1000109.3F124 F125 L160 V164 M166 L172L118-F124 WeakPolarHBondContact O-CA 3.42Å; L118-F125 HydrophobicContact CB-CB 4.4Å; L118-F125 HydrophobicContact CD2-CD2 4.4Å; L118-F125 PolarHBondContact N-O 2.88Å; L118-F125 PolarHBondContact O-N 2.94Å; L118-L160 HydrophobicContact CB-CD2 3.77Å; L118-L160 HydrophobicContact CB-CG 4.47Å; L118-V164 HydrophobicContact CD2-CG1 4.06Å; L118-V164 HydrophobicContact CD2-CG2 3.95Å; L118-M166 HydrophobicContact CD1-CG 4.02Å; L118-L172 HydrophobicContact CD2-CD2 4.06Å
119F97.1Very high96.2Very high47 Ų4720.6 Ų20.621%0.20612%0.115CC..EExtended strand (participates in β ladder)trans-97.9122.7168.9-178.1-130000110.2M1 C72 G121 E123 F124 Y147M1-F119 HydrophobicContact CE-CE1 3.94Å; M1-F119 HydrophobicContact CE-CZ 4.48Å; C72-F119 HydrophobicContact CB-CE1 4.47Å; C72-F119 VanDerWaalsContact SG-CE1 3.55Å; C72-F119 WeakPolarHBondContact SG-CZ 3.42Å; F119-G121 VanDerWaalsContact C-N 3.31Å; F119-E123 WeakPolarHBondContact CD2-O 3.45Å; F119-F124 HydrophobicContact CB-CD1 3.76Å; F119-F124 HydrophobicContact CB-CE1 3.55Å; F119-F124 HydrophobicContact CB-CZ 4.28Å; F119-F124 AromaticContact CD2-CD1 3.75Å; F119-F124 HydrophobicContact CD2-CD1 3.75Å; F119-F124 AromaticContact CD2-CD2 3.86Å; F119-F124 HydrophobicContact CD2-CD2 3.86Å; F119-F124 AromaticContact CD2-CE1 3.48Å; F119-F124 HydrophobicContact CD2-CE1 3.48Å; F119-F124 VanDerWaalsContact CD2-CE1 3.48Å; F119-F124 AromaticContact CD2-CE2 3.57Å; F119-F124 HydrophobicContact CD2-CE2 3.57Å; F119-F124 AromaticContact CD2-CG 3.95Å; F119-F124 HydrophobicContact CD2-CG 3.95Å; F119-F124 AromaticContact CD2-CZ 3.38Å; F119-F124 HydrophobicContact CD2-CZ 3.38Å; F119-F124 HydrophobicContact CE2-CD2 4.22Å; F119-F124 HydrophobicContact CE2-CE1 4.33Å; F119-F124 AromaticContact CE2-CE2 3.7Å; F119-F124 HydrophobicContact CE2-CE2 3.7Å; F119-F124 AromaticContact CE2-CZ 3.77Å; F119-F124 HydrophobicContact CE2-CZ 3.77Å; F119-F124 HydrophobicContact CG-CD1 4.1Å; F119-F124 AromaticContact CG-CE1 3.63Å; F119-F124 HydrophobicContact CG-CE1 3.63Å; F119-F124 HydrophobicContact CG-CE2 4.47Å; F119-F124 AromaticContact CG-CZ 3.84Å; F119-F124 HydrophobicContact CG-CZ 3.84Å; F119-F124 HydrophobicContact CZ-CZ 4.5Å; F119-Y147 AromaticContact CE2-CD1 3.91Å; F119-Y147 HydrophobicContact CE2-CD1 3.91Å; F119-Y147 HydrophobicContact CE2-CD2 4.29Å; F119-Y147 AromaticContact CE2-CE1 3.95Å; F119-Y147 HydrophobicContact CE2-CE1 3.95Å; F119-Y147 HydrophobicContact CE2-CE2 4.36Å; F119-Y147 HydrophobicContact CE2-CG 4.07Å; F119-Y147 HydrophobicContact CZ-CD1 4.3Å; F119-Y147 AromaticContact CZ-CE1 3.87Å; F119-Y147 HydrophobicContact CZ-CE1 3.87Å; F119-Y147 HydrophobicContact CZ-CE2 4.17Å; F119-Y147 AromaticContact CZ-CZ 3.8Å
120T95.9Very high96.4Very high13 Ų1321.9 Ų21.98%0.0812%0.122CC..  trans-86.7-5.3-178.269.60000113.6K122 E123 F125 M166 Y195T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact OG1-N 2.92Å; T120-E123 HydrophobicContact CG2-CG 4.41Å; T120-E123 PolarHBondContact N-O 2.92Å; T120-E123 PolarHBondContact OG1-N 2.9Å; T120-E123 VanDerWaalsContact OG1-N 3.07Å; T120-E123 PolarHBondContact OG1-O 3.44Å; T120-F125 HydrophobicContact CG2-CD2 3.99Å; T120-F125 HydrophobicContact CG2-CE2 3.77Å; T120-M166 HydrophobicContact CG2-SD 3.9Å; T120-Y195 WeakPolarHBondContact CB-OH 3.46Å; T120-Y195 HydrophobicContact CG2-CE1 3.88Å; T120-Y195 HydrophobicContact CG2-CE2 4.46Å; T120-Y195 PolarHBondContact OG1-OH 3.44Å
121G94.2Very high96.4Very high19 Ų1925.9 Ų25.920%0.19614%0.135CC..SBendtrans88.7-9.4-164.900000113.9M1 F119M1-G121 VanDerWaalsContact CE-CA 3.41Å; F119-G121 VanDerWaalsContact C-N 3.31Å
122K95.7Very high96.5Very high67 Ų6724 Ų2429%0.29112%0.124SC..SBendtrans-132.7-26.5-179.4-58.7-174.3-178.6-179.90114.2T120 Y147 P148 E170 Y193T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact OG1-N 2.92Å; K122-Y147 WeakPolarHBondContact O-CD1 3.33Å; K122-P148 WeakPolarHBondContact O-CD 3.18Å; K122-E170 WeakPolarHBondContact CE-OE1 3.38Å; K122-E170 IonicContact NZ-OE1 2.75Å; K122-E170 PolarHBondContact NZ-OE1 2.91Å; K122-Y193 HydrophobicContact CB-CD2 3.58Å; K122-Y193 HydrophobicContact CB-CE2 3.57Å; K122-Y193 HydrophobicContact CB-CG 4.2Å; K122-Y193 HydrophobicContact CD-CD1 3.79Å; K122-Y193 HydrophobicContact CD-CD2 4Å; K122-Y193 HydrophobicContact CD-CE1 4.08Å; K122-Y193 HydrophobicContact CD-CE2 4.3Å; K122-Y193 HydrophobicContact CD-CG 3.74Å; K122-Y193 HydrophobicContact CG-CD2 4.48Å
123E98Very high96.5Very high0 Ų026.3 Ų26.30%014%0.136CC..  trans-155.5168.6176.268.8-162.4130.700110.4F119 T120 F125 P148 T192 Y193 Y195F119-E123 WeakPolarHBondContact CD2-O 3.45Å; T120-E123 HydrophobicContact CG2-CG 4.41Å; T120-E123 PolarHBondContact N-O 2.92Å; T120-E123 PolarHBondContact OG1-N 2.9Å; T120-E123 VanDerWaalsContact OG1-N 3.07Å; T120-E123 PolarHBondContact OG1-O 3.44Å; E123-F125 HydrophobicContact CG-CE2 3.77Å; E123-F125 HydrophobicContact CG-CZ 3.98Å; E123-P148 WeakPolarHBondContact CA-O 3.06Å; E123-P148 HydrophobicContact CB-CB 3.95Å; E123-P148 HydrophobicContact CB-CG 4.16Å; E123-P148 WeakPolarHBondContact CB-O 3.29Å; E123-T192 PolarHBondContact OE1-N 3.42Å; E123-T192 PolarHBondContact OE2-N 2.87Å; E123-T192 PolarHBondContact OE2-OG1 3.17Å; E123-Y193 HydrophobicContact CG-CD2 4.47Å; E123-Y193 WeakPolarHBondContact OE1-CD2 3.36Å; E123-Y193 PolarHBondContact OE1-N 3.4Å; E123-Y195 WeakPolarHBondContact CG-OH 3.44Å; E123-Y195 WeakPolarHBondContact OE1-CE2 3.43Å; E123-Y195 PolarHBondContact OE1-OH 2.95Å
124F98.6Very high96.6Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-110.7138.6175.7-65.6-93.9000111.3V70 C72 V117 L118 F119 V140 F144 Y147 P148 V149 T150V70-F124 HydrophobicContact CG1-CD1 4.4Å; V70-F124 HydrophobicContact CG1-CE1 3.7Å; C72-F124 HydrophobicContact CB-CZ 3.84Å; V117-F124 HydrophobicContact CG1-CD1 3.77Å; V117-F124 HydrophobicContact CG1-CE1 4.39Å; L118-F124 WeakPolarHBondContact O-CA 3.42Å; F119-F124 HydrophobicContact CB-CD1 3.76Å; F119-F124 HydrophobicContact CB-CE1 3.55Å; F119-F124 HydrophobicContact CB-CZ 4.28Å; F119-F124 AromaticContact CD2-CD1 3.75Å; F119-F124 HydrophobicContact CD2-CD1 3.75Å; F119-F124 AromaticContact CD2-CD2 3.86Å; F119-F124 HydrophobicContact CD2-CD2 3.86Å; F119-F124 AromaticContact CD2-CE1 3.48Å; F119-F124 HydrophobicContact CD2-CE1 3.48Å; F119-F124 VanDerWaalsContact CD2-CE1 3.48Å; F119-F124 AromaticContact CD2-CE2 3.57Å; F119-F124 HydrophobicContact CD2-CE2 3.57Å; F119-F124 AromaticContact CD2-CG 3.95Å; F119-F124 HydrophobicContact CD2-CG 3.95Å; F119-F124 AromaticContact CD2-CZ 3.38Å; F119-F124 HydrophobicContact CD2-CZ 3.38Å; F119-F124 HydrophobicContact CE2-CD2 4.22Å; F119-F124 HydrophobicContact CE2-CE1 4.33Å; F119-F124 AromaticContact CE2-CE2 3.7Å; F119-F124 HydrophobicContact CE2-CE2 3.7Å; F119-F124 AromaticContact CE2-CZ 3.77Å; F119-F124 HydrophobicContact CE2-CZ 3.77Å; F119-F124 HydrophobicContact CG-CD1 4.1Å; F119-F124 AromaticContact CG-CE1 3.63Å; F119-F124 HydrophobicContact CG-CE1 3.63Å; F119-F124 HydrophobicContact CG-CE2 4.47Å; F119-F124 AromaticContact CG-CZ 3.84Å; F119-F124 HydrophobicContact CG-CZ 3.84Å; F119-F124 HydrophobicContact CZ-CZ 4.5Å; F124-V140 HydrophobicContact CD1-CG1 4.34Å; F124-V140 HydrophobicContact CG-CG1 4.39Å; F124-F144 HydrophobicContact CD2-CB 4.4Å; F124-F144 HydrophobicContact CE1-CD2 4.3Å; F124-F144 HydrophobicContact CE2-CB 3.6Å; F124-F144 HydrophobicContact CE2-CD2 4.19Å; F124-F144 AromaticContact CE2-CG 3.96Å; F124-F144 HydrophobicContact CE2-CG 3.96Å; F124-F144 HydrophobicContact CZ-CB 4Å; F124-F144 HydrophobicContact CZ-CD1 4.38Å; F124-F144 AromaticContact CZ-CD2 3.84Å; F124-F144 HydrophobicContact CZ-CD2 3.84Å; F124-F144 HydrophobicContact CZ-CE2 4.43Å; F124-F144 AromaticContact CZ-CG 3.81Å; F124-F144 HydrophobicContact CZ-CG 3.81Å; F124-Y147 HydrophobicContact CD2-CG 4.32Å; F124-Y147 AromaticContact CE2-CD2 3.72Å; F124-Y147 HydrophobicContact CE2-CD2 3.72Å; F124-Y147 AromaticContact CE2-CG 3.82Å; F124-Y147 HydrophobicContact CE2-CG 3.82Å; F124-P148 PolarHBondContact N-O 2.8Å; F124-V149 HydrophobicContact CB-CB 4.39Å; F124-V149 HydrophobicContact CB-CG1 4.15Å; F124-V149 HydrophobicContact CB-CG2 3.98Å; F124-V149 HydrophobicContact CD2-CG2 4.08Å; F124-V149 HydrophobicContact CG-CG2 4.39Å; F124-V149 WeakPolarHBondContact O-CA 3.46Å; F124-T150 PolarHBondContact O-N 3.34Å
125F98.5Very high96.6Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-109.3127.8160.5-60.9-82.5000108.4V117 L118 T120 E123 T150 V152 L160 I187 A191 Y195V117-F125 WeakPolarHBondContact CA-O 3.35Å; L118-F125 HydrophobicContact CB-CB 4.4Å; L118-F125 HydrophobicContact CD2-CD2 4.4Å; L118-F125 PolarHBondContact N-O 2.88Å; L118-F125 PolarHBondContact O-N 2.94Å; T120-F125 HydrophobicContact CG2-CD2 3.99Å; T120-F125 HydrophobicContact CG2-CE2 3.77Å; E123-F125 HydrophobicContact CG-CE2 3.77Å; E123-F125 HydrophobicContact CG-CZ 3.98Å; F125-T150 WeakPolarHBondContact CA-O 3.39Å; F125-T150 HydrophobicContact CD1-CG2 4.12Å; F125-T150 HydrophobicContact CE1-CG2 4.2Å; F125-V152 HydrophobicContact CB-CG2 4.19Å; F125-V152 HydrophobicContact CD1-CG2 4.14Å; F125-L160 HydrophobicContact CB-CD2 4.01Å; F125-L160 WeakPolarHBondContact O-CD2 3.39Å; F125-I187 HydrophobicContact CD1-CG1 3.84Å; F125-I187 HydrophobicContact CD2-CG1 4.32Å; F125-I187 HydrophobicContact CE1-CB 4.24Å; F125-I187 HydrophobicContact CE1-CG1 3.85Å; F125-I187 HydrophobicContact CE1-CG2 4.21Å; F125-I187 HydrophobicContact CE2-CG1 4.33Å; F125-I187 HydrophobicContact CE2-CG2 4.1Å; F125-I187 HydrophobicContact CG-CG1 4.1Å; F125-I187 HydrophobicContact CZ-CB 4.3Å; F125-I187 HydrophobicContact CZ-CG1 4.12Å; F125-I187 HydrophobicContact CZ-CG2 3.76Å; F125-A191 HydrophobicContact CE1-CB 4.39Å; F125-A191 HydrophobicContact CZ-CB 3.76Å; F125-Y195 HydrophobicContact CE2-CE2 4.37Å
126V98.5Very high96.5Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-119.7115.3-179.6-177.70000108.8D116 V117 T132 A137 V140 V149 T150 A151 V152D116-V126 CarbonylContact O-C 3.56Å; D116-V126 WeakPolarHBondContact O-CA 3.35Å; V117-V126 HydrophobicContact CG1-CG2 4.25Å; V117-V126 HydrophobicContact CG2-CG1 4.15Å; V117-V126 HydrophobicContact CG2-CG2 4.22Å; V126-T132 HydrophobicContact CG1-CG2 3.73Å; V126-A137 HydrophobicContact CB-CB 4.15Å; V126-A137 HydrophobicContact CG1-CB 3.68Å; V126-V140 HydrophobicContact CG2-CB 4.23Å; V126-V140 HydrophobicContact CG2-CG1 3.95Å; V126-V140 HydrophobicContact CG2-CG2 4.38Å; V126-V149 HydrophobicContact CG2-CG1 3.75Å; V126-T150 PolarHBondContact N-O 3Å; V126-A151 CarbonylContact O-C 3.57Å; V126-A151 VanDerWaalsContact O-CA 3.3Å; V126-A151 WeakPolarHBondContact O-CA 3.28Å; V126-V152 PolarHBondContact O-N 3.04Å
127A98.1Very high96.5Very high0 Ų030.4 Ų30.40%017%0.17CC..EExtended strand (participates in β ladder)trans-69.9137.7174.400000111.5D116 T132 V152 L154 L160D116-A127 HydrophobicContact CB-CB 3.94Å; D116-A127 PolarHBondContact O-N 2.85Å; A127-T132 VanDerWaalsContact O-CB 3.25Å; A127-T132 WeakPolarHBondContact O-CB 3.35Å; A127-T132 WeakPolarHBondContact O-CG2 3.33Å; A127-V152 CarbonylContact C-O 3.45Å; A127-V152 WeakPolarHBondContact CA-O 3.49Å; A127-L154 HydrophobicContact CB-CD1 3.41Å; A127-L154 VanDerWaalsContact CB-CD1 3.41Å; A127-L154 HydrophobicContact CB-CD2 4.45Å; A127-L154 HydrophobicContact CB-CG 3.65Å; A127-L160 HydrophobicContact CB-CB 3.71Å; A127-L160 HydrophobicContact CB-CD1 4.38Å; A127-L160 HydrophobicContact CB-CD2 4.38Å; A127-L160 HydrophobicContact CB-CG 4.37Å
128L97.8Very high96.5Very high53 Ų5337.2 Ų37.228%0.27720%0.2SC..EExtended strand (participates in β ladder)trans-90.4116.7163.4-56.1-178.8000107.6T132 A137 A151 V152 L154L128-T132 CarbonylContact C-O 3.58Å; L128-T132 WeakPolarHBondContact CA-O 3.34Å; L128-A137 HydrophobicContact CD2-CB 4.1Å; L128-A151 HydrophobicContact CD1-CB 4.34Å; L128-A151 HydrophobicContact CD2-CB 4.49Å; L128-A151 HydrophobicContact CG-CB 4.3Å; L128-V152 PolarHBondContact N-O 2.92Å; L128-L154 PolarHBondContact O-N 3.11Å
129S96Very high96.4Very high30 Ų3037.8 Ų37.821%0.2120%0.202CC..SBendtrans-141.6-179.1-173.879.40000110.1D116 R131 T132D116-S129 PolarHBondContact OD2-OG 2.99Å; S129-R131 PolarHBondContact O-N 3.44Å; S129-R131 PolarHBondContact OG-N 2.94Å; S129-T132 PolarHBondContact N-O 3.13Å; S129-T132 CarbonylContact O-C 3.55Å; S129-T132 PolarHBondContact O-N 3.02Å; S129-T132 PolarHBondContact OG-N 2.87Å
130D92.9Very high96.5Very high160 Ų16035.5 Ų35.586%0.85619%0.192SC*.SBendtrans-63.2-22.5171.6-66.3-22.2000112.9
131R93.1Very high96.5Very high92 Ų9236.8 Ų36.835%0.34720%0.204SC..SBendtrans-99.9-19.8-179.4-58.6-172.2-67.1159.55.8112.9D67 T111 F112 C113 S115 S129D67-R131 IonicContact OD2-NH1 3.68Å; D67-R131 PolarHBondContact OD2-NH1 3.46Å; D67-R131 VanDerWaalsContact OD2-NH1 3.07Å; T111-R131 CarbonylContact C-O 3.6Å; T111-R131 WeakPolarHBondContact CB-O 3.46Å; T111-R131 PolarHBondContact OG1-O 2.91Å; F112-R131 CarbonylContact C-O 3.56Å; C113-R131 HydrophobicContact CB-CB 3.81Å; C113-R131 PolarHBondContact SG-NH1 3.39Å; S115-R131 PolarHBondContact OG-NH2 2.93Å; S129-R131 PolarHBondContact O-N 3.44Å; S129-R131 PolarHBondContact OG-N 2.94Å
132T95.9Very high96.6Very high0 Ų042.2 Ų42.20%022%0.218CC..  trans-128.7113.9-179.1-56.20000111.4T111 F112 C113 D116 V126 A127 L128 S129T111-T132 WeakPolarHBondContact O-CA 3.26Å; F112-T132 WeakPolarHBondContact CA-OG1 3.22Å; F112-T132 HydrophobicContact CB-CG2 3.83Å; C113-T132 PolarHBondContact N-OG1 3.32Å; D116-T132 HydrophobicContact CB-CG2 4.42Å; D116-T132 VanDerWaalsContact CB-OG1 3.26Å; D116-T132 WeakPolarHBondContact CB-OG1 3.45Å; D116-T132 WeakPolarHBondContact OD2-CB 3.36Å; D116-T132 PolarHBondContact OD2-OG1 3.31Å; V126-T132 HydrophobicContact CG1-CG2 3.73Å; A127-T132 VanDerWaalsContact O-CB 3.25Å; A127-T132 WeakPolarHBondContact O-CB 3.35Å; A127-T132 WeakPolarHBondContact O-CG2 3.33Å; L128-T132 CarbonylContact C-O 3.58Å; L128-T132 WeakPolarHBondContact CA-O 3.34Å; S129-T132 PolarHBondContact N-O 3.13Å; S129-T132 CarbonylContact O-C 3.55Å; S129-T132 PolarHBondContact O-N 3.02Å; S129-T132 PolarHBondContact OG-N 2.87Å
133N95.6Very high96.7Very high52 Ų5239.3 Ų39.328%0.27821%0.206SC..  trans-101.7175.2-179.973.917.1000112.9N109 T111 A135 G136 A137N109-N133 PolarHBondContact O-ND2 3.42Å; T111-N133 PolarHBondContact N-OD1 2.99Å; T111-N133 PolarHBondContact O-N 3.34Å; T111-N133 PolarHBondContact OG1-N 2.89Å; T111-N133 PolarHBondContact OG1-ND2 3.45Å; N133-A135 PolarHBondContact O-N 3.27Å; N133-A135 WeakPolarHBondContact OD1-CA 3.41Å; N133-A135 WeakPolarHBondContact OD1-CB 3.18Å; N133-A135 PolarHBondContact OD1-N 3.11Å; N133-G136 PolarHBondContact O-N 3.31Å; N133-G136 VanDerWaalsContact O-N 3.15Å; N133-G136 PolarHBondContact OD1-N 3.3Å; N133-A137 PolarHBondContact O-N 2.9Å
134A96.3Very high96.7Very high57 Ų5739.3 Ų39.347%0.47121%0.206SC..Hα-helixtrans-62.9-27.4-178.800000113.5K138A134-K138 VanDerWaalsContact O-CG 3.29Å; A134-K138 WeakPolarHBondContact O-CG 3.39Å; A134-K138 PolarHBondContact O-N 2.83Å
135A96Very high96.6Very high25 Ų2544 Ų4421%0.20724%0.239CC..Hα-helixtrans-73.6-39.9175.200000111.2N108 A110 N133 K138 E139N108-A135 HydrophobicContact CB-CB 4.48Å; A110-A135 HydrophobicContact CB-CB 3.86Å; N133-A135 PolarHBondContact O-N 3.27Å; N133-A135 WeakPolarHBondContact OD1-CA 3.41Å; N133-A135 WeakPolarHBondContact OD1-CB 3.18Å; N133-A135 PolarHBondContact OD1-N 3.11Å; A135-K138 WeakPolarHBondContact O-CB 3.23Å; A135-K138 PolarHBondContact O-N 2.86Å; A135-E139 PolarHBondContact O-N 3.3Å
136G96.2Very high96.5Very high0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-61.7-45.5172.300000112.7T111 N133 K138 E139 V140T111-G136 WeakPolarHBondContact O-CA 3.19Å; N133-G136 PolarHBondContact O-N 3.31Å; N133-G136 VanDerWaalsContact O-N 3.15Å; N133-G136 PolarHBondContact OD1-N 3.3Å; G136-K138 VanDerWaalsContact C-N 3.28Å; G136-K138 PolarHBondContact O-N 2.81Å; G136-E139 PolarHBondContact O-N 3.27Å; G136-V140 PolarHBondContact O-N 3.22Å
137A97.2Very high96.4Very high10 Ų1050.9 Ų50.98%0.08327%0.269CS..Hα-helixtrans-58.9-37.9174.800000112.8V126 L128 N133 V140 A141V126-A137 HydrophobicContact CB-CB 4.15Å; V126-A137 HydrophobicContact CG1-CB 3.68Å; L128-A137 HydrophobicContact CD2-CB 4.1Å; N133-A137 PolarHBondContact O-N 2.9Å; A137-V140 PolarHBondContact O-N 3.35Å; A137-A141 PolarHBondContact O-N 3.19Å; A137-A141 VanDerWaalsContact O-N 3.1Å
138K96.7Very high96.4Very high150 Ų15053.1 Ų53.165%0.65228%0.284SS*.Hα-helixtrans-66.5-36.5173.6-76.4173.6-178.7-179.40112.7A134 A135 G136 V140 A141 R142A134-K138 VanDerWaalsContact O-CG 3.29Å; A134-K138 WeakPolarHBondContact O-CG 3.39Å; A134-K138 PolarHBondContact O-N 2.83Å; A135-K138 WeakPolarHBondContact O-CB 3.23Å; A135-K138 PolarHBondContact O-N 2.86Å; G136-K138 VanDerWaalsContact C-N 3.28Å; G136-K138 PolarHBondContact O-N 2.81Å; K138-V140 VanDerWaalsContact C-N 3.35Å; K138-A141 PolarHBondContact O-N 2.87Å; K138-R142 WeakPolarHBondContact O-CB 3.28Å; K138-R142 PolarHBondContact O-N 3.21Å
139E96.8Very high96.5Very high18 Ų1852.5 Ų52.58%0.08428%0.282CS..Hα-helixtrans-68.1-34175.7-72.4-58.9131.300112.4L77 L104 A110 A135 G136 R142 T143L77-E139 HydrophobicContact CD2-CB 4.27Å; L104-E139 HydrophobicContact CD1-CB 3.54Å; L104-E139 HydrophobicContact CD1-CG 3.82Å; A110-E139 HydrophobicContact CB-CG 4.22Å; A135-E139 PolarHBondContact O-N 3.3Å; G136-E139 PolarHBondContact O-N 3.27Å; E139-R142 IonicContact OE1-NE 3.41Å; E139-R142 PolarHBondContact OE1-NE 3Å; E139-R142 IonicContact OE2-CZ 3.24Å; E139-R142 VanDerWaalsContact OE2-CZ 3.24Å; E139-R142 IonicContact OE2-NE 2.94Å; E139-R142 PolarHBondContact OE2-NE 2.84Å; E139-R142 IonicContact OE2-NH2 2.82Å; E139-R142 PolarHBondContact OE2-NH2 3.07Å; E139-T143 WeakPolarHBondContact O-CB 3.41Å; E139-T143 PolarHBondContact O-N 2.98Å; E139-T143 PolarHBondContact O-OG1 3.26Å
140V97.6Very high96.6Very high0 Ų051.9 Ų51.90%028%0.277CS..Hα-helixtrans-60-52.6168.8177.10000109.8L77 V117 F124 V126 G136 A137 K138 R142 T143 F144 V149L77-V140 HydrophobicContact CD2-CB 4.45Å; L77-V140 HydrophobicContact CD2-CG2 3.88Å; V117-V140 HydrophobicContact CG1-CG1 4.48Å; V117-V140 HydrophobicContact CG2-CG2 4.4Å; F124-V140 HydrophobicContact CD1-CG1 4.34Å; F124-V140 HydrophobicContact CG-CG1 4.39Å; V126-V140 HydrophobicContact CG2-CB 4.23Å; V126-V140 HydrophobicContact CG2-CG1 3.95Å; V126-V140 HydrophobicContact CG2-CG2 4.38Å; G136-V140 PolarHBondContact O-N 3.22Å; A137-V140 PolarHBondContact O-N 3.35Å; K138-V140 VanDerWaalsContact C-N 3.35Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.57Å; V140-T143 PolarHBondContact O-N 3.04Å; V140-T143 VanDerWaalsContact O-N 3.12Å; V140-F144 HydrophobicContact CG1-CD2 3.99Å; V140-F144 HydrophobicContact CG1-CE2 4.44Å; V140-F144 WeakPolarHBondContact O-CD2 3.41Å; V140-F144 PolarHBondContact O-N 2.08Å; V140-V149 HydrophobicContact CG1-CG1 4.47Å
141A97.4Very high96.8Very high39 Ų3946.4 Ų46.432%0.32226%0.255SS..Hα-helixtrans-60.2-40.2179.100000113.5A137 K138 T143 F144 S145 V149A137-A141 PolarHBondContact O-N 3.19Å; A137-A141 VanDerWaalsContact O-N 3.1Å; K138-A141 PolarHBondContact O-N 2.87Å; A141-T143 VanDerWaalsContact C-N 3.35Å; A141-F144 CarbonylContact O-C 3.58Å; A141-S145 VanDerWaalsContact O-CA 3.32Å; A141-S145 WeakPolarHBondContact O-CA 3.47Å; A141-S145 PolarHBondContact O-N 3.16Å; A141-V149 HydrophobicContact CB-CB 3.85Å; A141-V149 HydrophobicContact CB-CG1 4.17Å; A141-V149 HydrophobicContact CB-CG2 3.82Å
142R96.4Very high97Very high133 Ų13342.1 Ų42.150%0.50224%0.239SC..Hα-helixtrans-69.6-33.7176.5-169.8-173.469.6790.9112K138 E139 V140K138-R142 WeakPolarHBondContact O-CB 3.28Å; K138-R142 PolarHBondContact O-N 3.21Å; E139-R142 IonicContact OE1-NE 3.41Å; E139-R142 PolarHBondContact OE1-NE 3Å; E139-R142 IonicContact OE2-CZ 3.24Å; E139-R142 VanDerWaalsContact OE2-CZ 3.24Å; E139-R142 IonicContact OE2-NE 2.94Å; E139-R142 PolarHBondContact OE2-NE 2.84Å; E139-R142 IonicContact OE2-NH2 2.82Å; E139-R142 PolarHBondContact OE2-NH2 3.07Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.57Å
143T97Very high97Very high7 Ų749.7 Ų49.74%0.04327%0.271CS..Hα-helixtrans-75-40.8-177.6-65.60000112T75 L77 K102 E139 V140 A141T75-T143 HydrophobicContact CG2-CG2 4.11Å; L77-T143 HydrophobicContact CB-CG2 4.01Å; K102-T143 HydrophobicContact CD-CG2 3.76Å; K102-T143 PolarHBondContact NZ-O 3.45Å; E139-T143 WeakPolarHBondContact O-CB 3.41Å; E139-T143 PolarHBondContact O-N 2.98Å; E139-T143 PolarHBondContact O-OG1 3.26Å; V140-T143 PolarHBondContact O-N 3.04Å; V140-T143 VanDerWaalsContact O-N 3.12Å; A141-T143 VanDerWaalsContact C-N 3.35Å
144F97Very high97Very high0 Ų047.9 Ų47.90%026%0.262CS..THydrogen-bonded Turntrans-113.651-177.3-52.3-68.2000111V70 C72 T75 L77 F124 V140 A141 E146 Y147V70-F144 HydrophobicContact CB-CE2 3.97Å; V70-F144 HydrophobicContact CB-CZ 4.31Å; V70-F144 HydrophobicContact CG1-CD2 4.36Å; V70-F144 HydrophobicContact CG1-CE2 3.54Å; V70-F144 HydrophobicContact CG1-CZ 3.98Å; V70-F144 WeakPolarHBondContact O-CZ 3.46Å; C72-F144 HydrophobicContact CB-CD1 3.7Å; C72-F144 HydrophobicContact CB-CE1 3.63Å; C72-F144 HydrophobicContact CB-CG 4.46Å; C72-F144 HydrophobicContact CB-CZ 4.34Å; T75-F144 HydrophobicContact CG2-CE1 4.31Å; L77-F144 HydrophobicContact CB-CE2 4.09Å; L77-F144 HydrophobicContact CB-CZ 4.18Å; F124-F144 HydrophobicContact CD2-CB 4.4Å; F124-F144 HydrophobicContact CE1-CD2 4.3Å; F124-F144 HydrophobicContact CE2-CB 3.6Å; F124-F144 HydrophobicContact CE2-CD2 4.19Å; F124-F144 AromaticContact CE2-CG 3.96Å; F124-F144 HydrophobicContact CE2-CG 3.96Å; F124-F144 HydrophobicContact CZ-CB 4Å; F124-F144 HydrophobicContact CZ-CD1 4.38Å; F124-F144 AromaticContact CZ-CD2 3.84Å; F124-F144 HydrophobicContact CZ-CD2 3.84Å; F124-F144 HydrophobicContact CZ-CE2 4.43Å; F124-F144 AromaticContact CZ-CG 3.81Å; F124-F144 HydrophobicContact CZ-CG 3.81Å; V140-F144 HydrophobicContact CG1-CD2 3.99Å; V140-F144 HydrophobicContact CG1-CE2 4.44Å; V140-F144 WeakPolarHBondContact O-CD2 3.41Å; V140-F144 PolarHBondContact O-N 2.08Å; A141-F144 CarbonylContact O-C 3.58Å; F144-E146 WeakPolarHBondContact CA-OE2 3.29Å; F144-E146 PolarHBondContact O-N 3Å; F144-Y147 HydrophobicContact CB-CD2 4.27Å; F144-Y147 PolarHBondContact O-N 3.19Å
145S97Very high96.8Very high98 Ų9850.5 Ų50.569%0.68527%0.268SS*.THydrogen-bonded Turntrans-60.6-15.6-173.153.90000114.7A141 Y147A141-S145 VanDerWaalsContact O-CA 3.32Å; A141-S145 WeakPolarHBondContact O-CA 3.47Å; A141-S145 PolarHBondContact O-N 3.16Å; S145-Y147 PolarHBondContact O-N 3.13Å
146E96.2Very high96.4Very high100 Ų10050.4 Ų50.447%0.46727%0.27SS..THydrogen-bonded Turntrans-76.1-8.5174.771-85.5-155.500113.7F144F144-E146 WeakPolarHBondContact CA-OE2 3.29Å; F144-E146 PolarHBondContact O-N 3Å
147Y97.9Very high96.1Very high44 Ų4455.6 Ų55.617%0.17330%0.303CS..SBendtrans-119140.4180-66.4-72000111.3C72 N73 F119 K122 F124 F144 S145C72-Y147 WeakPolarHBondContact SG-CE2 3.41Å; N73-Y147 WeakPolarHBondContact ND2-CE2 3.4Å; N73-Y147 PolarHBondContact ND2-OH 3.03Å; F119-Y147 AromaticContact CE2-CD1 3.91Å; F119-Y147 HydrophobicContact CE2-CD1 3.91Å; F119-Y147 HydrophobicContact CE2-CD2 4.29Å; F119-Y147 AromaticContact CE2-CE1 3.95Å; F119-Y147 HydrophobicContact CE2-CE1 3.95Å; F119-Y147 HydrophobicContact CE2-CE2 4.36Å; F119-Y147 HydrophobicContact CE2-CG 4.07Å; F119-Y147 HydrophobicContact CZ-CD1 4.3Å; F119-Y147 AromaticContact CZ-CE1 3.87Å; F119-Y147 HydrophobicContact CZ-CE1 3.87Å; F119-Y147 HydrophobicContact CZ-CE2 4.17Å; F119-Y147 AromaticContact CZ-CZ 3.8Å; K122-Y147 WeakPolarHBondContact O-CD1 3.33Å; F124-Y147 HydrophobicContact CD2-CG 4.32Å; F124-Y147 AromaticContact CE2-CD2 3.72Å; F124-Y147 HydrophobicContact CE2-CD2 3.72Å; F124-Y147 AromaticContact CE2-CG 3.82Å; F124-Y147 HydrophobicContact CE2-CG 3.82Å; F144-Y147 HydrophobicContact CB-CD2 4.27Å; F144-Y147 PolarHBondContact O-N 3.19Å; S145-Y147 PolarHBondContact O-N 3.13Å
148P98.1Very high96Very high47 Ų4756.9 Ų56.931%0.30531%0.307SS..  trans-58.7144.2167.2-19.131000110.7K122 E123 F124K122-P148 WeakPolarHBondContact O-CD 3.18Å; E123-P148 WeakPolarHBondContact CA-O 3.06Å; E123-P148 HydrophobicContact CB-CB 3.95Å; E123-P148 HydrophobicContact CB-CG 4.16Å; E123-P148 WeakPolarHBondContact CB-O 3.29Å; F124-P148 PolarHBondContact N-O 2.8Å
149V98.4Very high95.9Very high40 Ų4050.3 Ų50.324%0.24228%0.279CS..EExtended strand (participates in β ladder)trans-132.2120.8176.7-176.20000109.6F124 V126 V140 A141F124-V149 HydrophobicContact CB-CB 4.39Å; F124-V149 HydrophobicContact CB-CG1 4.15Å; F124-V149 HydrophobicContact CB-CG2 3.98Å; F124-V149 HydrophobicContact CD2-CG2 4.08Å; F124-V149 HydrophobicContact CG-CG2 4.39Å; F124-V149 WeakPolarHBondContact O-CA 3.46Å; V126-V149 HydrophobicContact CG2-CG1 3.75Å; V140-V149 HydrophobicContact CG1-CG1 4.47Å; A141-V149 HydrophobicContact CB-CB 3.85Å; A141-V149 HydrophobicContact CB-CG1 4.17Å; A141-V149 HydrophobicContact CB-CG2 3.82Å
150T98.2Very high95.9Very high17 Ų1749.4 Ų49.410%0.10428%0.275CS..EExtended strand (participates in β ladder)trans-114.1126.3-179.9-64.80000110.3F124 F125 V126 E190F124-T150 PolarHBondContact O-N 3.34Å; F125-T150 WeakPolarHBondContact CA-O 3.39Å; F125-T150 HydrophobicContact CD1-CG2 4.12Å; F125-T150 HydrophobicContact CE1-CG2 4.2Å; V126-T150 PolarHBondContact N-O 3Å; T150-E190 HydrophobicContact CG2-CB 3.87Å; T150-E190 WeakPolarHBondContact CG2-OE2 3.44Å
151A97.9Very high95.8Very high46 Ų4650.8 Ų50.838%0.3828%0.281SS..EExtended strand (participates in β ladder)trans-81.7132.3175.200000111.2V126 L128 K186V126-A151 CarbonylContact O-C 3.57Å; V126-A151 VanDerWaalsContact O-CA 3.3Å; V126-A151 WeakPolarHBondContact O-CA 3.28Å; L128-A151 HydrophobicContact CD1-CB 4.34Å; L128-A151 HydrophobicContact CD2-CB 4.49Å; L128-A151 HydrophobicContact CG-CB 4.3Å; A151-K186 VanDerWaalsContact O-CE 3.25Å; A151-K186 WeakPolarHBondContact O-CE 3.38Å
152V97.6Very high95.6Very high2 Ų250.5 Ų50.51%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-116.4118.7179.7-179.50000108.7F125 V126 A127 L128 L154 V183 K186F125-V152 HydrophobicContact CB-CG2 4.19Å; F125-V152 HydrophobicContact CD1-CG2 4.14Å; V126-V152 PolarHBondContact O-N 3.04Å; A127-V152 CarbonylContact C-O 3.45Å; A127-V152 WeakPolarHBondContact CA-O 3.49Å; L128-V152 PolarHBondContact N-O 2.92Å; V152-L154 HydrophobicContact CG1-CD2 4.42Å; V152-L154 PolarHBondContact O-N 2.84Å; V152-V183 HydrophobicContact CG1-CG1 4.42Å; V152-V183 HydrophobicContact CG1-CG2 4.09Å; V152-K186 HydrophobicContact CG1-CG 4.22Å; V152-K186 HydrophobicContact CG2-CG 4.03Å
153K96.6Very high95.5Very high158 Ų15845 Ų4569%0.68725%0.251SS*.EExtended strand (participates in β ladder)trans-78.5124.7176.4-176.2177.6177.5-177.90109.8
154L95.4Very high95.4Very high14 Ų1444.7 Ų44.77%0.07325%0.25CC..  trans-95.8147.5169.5-60.7-177.7000110.8A127 L128 V152 K158 Y163 E179 V183A127-L154 HydrophobicContact CB-CD1 3.41Å; A127-L154 VanDerWaalsContact CB-CD1 3.41Å; A127-L154 HydrophobicContact CB-CD2 4.45Å; A127-L154 HydrophobicContact CB-CG 3.65Å; L128-L154 PolarHBondContact O-N 3.11Å; V152-L154 HydrophobicContact CG1-CD2 4.42Å; V152-L154 PolarHBondContact O-N 2.84Å; L154-K158 WeakPolarHBondContact CD1-O 3.36Å; L154-Y163 HydrophobicContact CD1-CE2 4.32Å; L154-Y163 HydrophobicContact CD2-CD2 4.23Å; L154-Y163 HydrophobicContact CD2-CE2 4.28Å; L154-E179 VanDerWaalsContact CA-OE1 3.32Å; L154-E179 WeakPolarHBondContact CA-OE1 3.09Å; L154-V183 HydrophobicContact CD2-CG2 3.5Å; L154-V183 VanDerWaalsContact CD2-CG2 3.5Å
155N91.1Very high95.3Very high112 Ų11244.9 Ų44.960%0.59925%0.251SS*.  trans-105.8-11.8174.6-50.8-64.5000112.7E179N155-E179 PolarHBondContact N-OE1 2.85Å; N155-E179 PolarHBondContact ND2-OE1 2.75Å; N155-E179 PolarHBondContact ND2-OE2 3.17Å
156G87.7Confident95.2Very high24 Ų2441.8 Ų41.825%0.24723%0.226CC..SBendtrans-107.8168.6-179.900000113.3K158G156-K158 VanDerWaalsContact C-N 3.27Å; G156-K158 PolarHBondContact O-N 2.63Å
157P90.9Very high95.2Very high109 Ų10937 Ų3771%0.70820%0.204SC*.SBendtrans-79.5-8.8-178.633.6-36.9000113.4
158K93.4Very high95.1Very high37 Ų3735.4 Ų35.416%0.16120%0.199CC..SBendtrans-82.6146.1-176.2-55.8-59.8-179.5-168.90110.9L154 G156 Y162 Y163 E247L154-K158 WeakPolarHBondContact CD1-O 3.36Å; G156-K158 VanDerWaalsContact C-N 3.27Å; G156-K158 PolarHBondContact O-N 2.63Å; K158-Y162 HydrophobicContact CB-CD1 3.95Å; K158-Y162 HydrophobicContact CB-CD2 4.09Å; K158-Y162 HydrophobicContact CB-CG 3.68Å; K158-Y162 HydrophobicContact CD-CD2 3.98Å; K158-Y162 HydrophobicContact CD-CE2 4.09Å; K158-Y162 HydrophobicContact CD-CG 4.41Å; K158-Y162 HydrophobicContact CG-CD1 4.06Å; K158-Y162 HydrophobicContact CG-CD2 4.04Å; K158-Y162 HydrophobicContact CG-CE1 4.25Å; K158-Y162 HydrophobicContact CG-CE2 4.23Å; K158-Y162 HydrophobicContact CG-CG 3.99Å; K158-Y163 HydrophobicContact CB-CE2 3.86Å; K158-Y163 WeakPolarHBondContact CB-OH 3.38Å; K158-E247 WeakPolarHBondContact CE-OE1 3.32Å; K158-E247 IonicContact NZ-OE1 2.66Å; K158-E247 PolarHBondContact NZ-OE1 2.93Å; K158-E247 IonicContact NZ-OE2 3.42Å; K158-E247 PolarHBondContact NZ-OE2 2.77Å
159P95.3Very high94.8Very high11 Ų1137.9 Ų37.97%0.07122%0.216CC..  trans-67.5164.9177.323.3-29.9000113.3S115 D116 K161 Y162 Y163 L249S115-P159 WeakPolarHBondContact O-CB 3.21Å; S115-P159 WeakPolarHBondContact OG-CB 3.4Å; D116-P159 WeakPolarHBondContact OD1-CA 3.38Å; D116-P159 WeakPolarHBondContact OD1-CB 3.17Å; P159-K161 VanDerWaalsContact C-N 3.29Å; P159-K161 PolarHBondContact O-N 2.75Å; P159-Y162 WeakPolarHBondContact O-CB 3.14Å; P159-Y162 PolarHBondContact O-N 3.01Å; P159-Y163 WeakPolarHBondContact O-CD2 3.39Å; P159-L249 HydrophobicContact CG-CD1 3.88Å
160L96.4Very high94.7Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-50.6-47.2175-172.557.9000112.9S115 D116 L118 F125 A127 Y162 Y163 V164 V183S115-L160 PolarHBondContact O-N 2.83Å; D116-L160 WeakPolarHBondContact O-CD2 3.33Å; D116-L160 PolarHBondContact OD1-N 3.35Å; L118-L160 HydrophobicContact CB-CD2 3.77Å; L118-L160 HydrophobicContact CB-CG 4.47Å; F125-L160 HydrophobicContact CB-CD2 4.01Å; F125-L160 WeakPolarHBondContact O-CD2 3.39Å; A127-L160 HydrophobicContact CB-CB 3.71Å; A127-L160 HydrophobicContact CB-CD1 4.38Å; A127-L160 HydrophobicContact CB-CD2 4.38Å; A127-L160 HydrophobicContact CB-CG 4.37Å; L160-Y162 PolarHBondContact O-N 3.22Å; L160-Y162 VanDerWaalsContact O-N 3.11Å; L160-Y163 PolarHBondContact O-N 2.93Å; L160-V164 HydrophobicContact CD1-CG1 3.85Å; L160-V164 HydrophobicContact CG-CG1 4.02Å; L160-V164 PolarHBondContact O-N 3.46Å; L160-V183 HydrophobicContact CD1-CG1 3.63Å; L160-V183 HydrophobicContact CD1-CG2 4.28Å
161K95.4Very high94.6Very high28 Ų2840 Ų4012%0.12222%0.223CC..Hα-helixtrans-64.9-13.2-177.8-70.8-176.4-162168.80114.4D66 G114 S115 V117 P159 Y163 V164 L249D66-K161 IonicContact OD1-NZ 2.63Å; D66-K161 PolarHBondContact OD1-NZ 2.81Å; D66-K161 IonicContact OD2-NZ 2.61Å; D66-K161 PolarHBondContact OD2-NZ 2.68Å; G114-K161 VanDerWaalsContact O-CE 3.22Å; G114-K161 WeakPolarHBondContact O-CE 2.94Å; G114-K161 PolarHBondContact O-NZ 3.23Å; G114-K161 VanDerWaalsContact O-NZ 3.11Å; S115-K161 WeakPolarHBondContact O-CB 3.33Å; S115-K161 VanDerWaalsContact O-CG 3.31Å; S115-K161 WeakPolarHBondContact O-CG 3.48Å; S115-K161 PolarHBondContact O-N 3.34Å; V117-K161 WeakPolarHBondContact O-CE 3.3Å; P159-K161 VanDerWaalsContact C-N 3.29Å; P159-K161 PolarHBondContact O-N 2.75Å; K161-Y163 VanDerWaalsContact C-N 3.34Å; K161-V164 WeakPolarHBondContact CA-O 2.99Å; K161-L249 HydrophobicContact CB-CD1 4.05Å
162Y93.8Very high94.5Very high34 Ų3437.9 Ų37.913%0.13321%0.205CC..Hα-helixtrans-68.4-38.7170.9-175.9-83.2000111K158 P159 L160 P205 L249K158-Y162 HydrophobicContact CB-CD1 3.95Å; K158-Y162 HydrophobicContact CB-CD2 4.09Å; K158-Y162 HydrophobicContact CB-CG 3.68Å; K158-Y162 HydrophobicContact CD-CD2 3.98Å; K158-Y162 HydrophobicContact CD-CE2 4.09Å; K158-Y162 HydrophobicContact CD-CG 4.41Å; K158-Y162 HydrophobicContact CG-CD1 4.06Å; K158-Y162 HydrophobicContact CG-CD2 4.04Å; K158-Y162 HydrophobicContact CG-CE1 4.25Å; K158-Y162 HydrophobicContact CG-CE2 4.23Å; K158-Y162 HydrophobicContact CG-CG 3.99Å; P159-Y162 WeakPolarHBondContact O-CB 3.14Å; P159-Y162 PolarHBondContact O-N 3.01Å; L160-Y162 PolarHBondContact O-N 3.22Å; L160-Y162 VanDerWaalsContact O-N 3.11Å; Y162-P205 HydrophobicContact CD2-CB 3.85Å; Y162-P205 HydrophobicContact CE2-CB 3.76Å; Y162-P205 HydrophobicContact CE2-CG 4.12Å; Y162-P205 HydrophobicContact CG-CB 4.29Å; Y162-L249 HydrophobicContact CD2-CD2 3.83Å; Y162-L249 HydrophobicContact CG-CD2 4.45Å
163Y94.3Very high94.4Very high16 Ų1637.8 Ų37.86%0.06321%0.205CC..Hα-helixtrans-89.8-30.6-173.4-59.8-64.8000113L154 K158 P159 L160 K161 S175 E179 A180L154-Y163 HydrophobicContact CD1-CE2 4.32Å; L154-Y163 HydrophobicContact CD2-CD2 4.23Å; L154-Y163 HydrophobicContact CD2-CE2 4.28Å; K158-Y163 HydrophobicContact CB-CE2 3.86Å; K158-Y163 WeakPolarHBondContact CB-OH 3.38Å; P159-Y163 WeakPolarHBondContact O-CD2 3.39Å; L160-Y163 PolarHBondContact O-N 2.93Å; K161-Y163 VanDerWaalsContact C-N 3.34Å; Y163-S175 PolarHBondContact O-N 3.48Å; Y163-E179 HydrophobicContact CD1-CB 4.22Å; Y163-E179 HydrophobicContact CD1-CG 4.36Å; Y163-E179 HydrophobicContact CD2-CG 4.41Å; Y163-E179 HydrophobicContact CE1-CB 3.7Å; Y163-E179 HydrophobicContact CE1-CG 3.82Å; Y163-E179 HydrophobicContact CE2-CG 3.86Å; Y163-A180 HydrophobicContact CD1-CB 3.97Å; Y163-A180 HydrophobicContact CG-CB 4.33Å
164V95Very high94.3Very high1 Ų130.3 Ų30.31%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-147.3134.4-175.356.30000112.3L118 L160 K161 L172 A173 V174 V183 I187L118-V164 HydrophobicContact CD2-CG1 4.06Å; L118-V164 HydrophobicContact CD2-CG2 3.95Å; L160-V164 HydrophobicContact CD1-CG1 3.85Å; L160-V164 HydrophobicContact CG-CG1 4.02Å; L160-V164 PolarHBondContact O-N 3.46Å; K161-V164 WeakPolarHBondContact CA-O 2.99Å; V164-L172 HydrophobicContact CG2-CB 4.18Å; V164-L172 HydrophobicContact CG2-CD1 4.47Å; V164-L172 HydrophobicContact CG2-CD2 3.82Å; V164-L172 HydrophobicContact CG2-CG 4.38Å; V164-A173 WeakPolarHBondContact CA-O 3.23Å; V164-V174 HydrophobicContact CB-CG2 4.32Å; V164-V174 HydrophobicContact CG2-CG2 3.94Å; V164-V183 HydrophobicContact CG1-CG1 3.83Å; V164-I187 HydrophobicContact CG1-CD1 4.44Å; V164-I187 HydrophobicContact CG2-CD1 4.42Å
165C94.6Very high94.1Very high5 Ų529.8 Ų29.83%0.03417%0.169CC..EExtended strand (participates in β ladder)trans-131.1158.917156.70000111.4A167 L172 A173 V206 C208C165-A167 PolarHBondContact O-N 3.1Å; C165-L172 WeakPolarHBondContact O-CA 3.41Å; C165-A173 PolarHBondContact N-O 3.42Å; C165-A173 PolarHBondContact O-N 3.41Å; C165-V206 VanDerWaalsContact SG-CG1 3.5Å; C165-C208 HydrophobicContact CB-CB 4.48Å; C165-C208 WeakPolarHBondContact CB-O 3.5Å; C165-C208 WeakPolarHBondContact CB-SG 3.22Å; C165-C208 WeakPolarHBondContact SG-CB 3.47Å; C165-C208 PolarHBondContact SG-N 3.44Å; C165-C208 VanDerWaalsContact SG-N 3.45Å; C165-C208 CovalentContact SG-SG 2.08Å; C165-C208 PolarHBondContact SG-SG 3.4Å
166M95.5Very high94Very high32 Ų3226.8 Ų26.816%0.15816%0.158CC..EExtended strand (participates in β ladder)trans-78.9108.1167.9-66.7-55-55.100109.3L118 T120 A168 L172L118-M166 HydrophobicContact CD1-CG 4.02Å; T120-M166 HydrophobicContact CG2-SD 3.9Å; M166-A168 VanDerWaalsContact CE-O 3.24Å; M166-A168 WeakPolarHBondContact CE-O 3.41Å; M166-L172 HydrophobicContact CE-CD2 4.4Å; M166-L172 HydrophobicContact SD-CD2 3.4Å; M166-L172 WeakPolarHBondContact SD-CD2 3.5Å
167A95.4Very high94.2Very high0 Ų026.5 Ų26.50%015%0.152CC..EExtended strand (participates in β ladder)trans-79.1-35.8175.600000112.1C165 V171 A173 N210 I215 F227 L230C165-A167 PolarHBondContact O-N 3.1Å; A167-V171 HydrophobicContact CB-CG1 4.33Å; A167-V171 PolarHBondContact N-O 3.06Å; A167-A173 HydrophobicContact CB-CB 3.91Å; A167-N210 WeakPolarHBondContact O-CB 3.5Å; A167-N210 PolarHBondContact O-ND2 2.9Å; A167-I215 WeakPolarHBondContact O-CD1 3.34Å; A167-I215 WeakPolarHBondContact O-CG1 3.25Å; A167-F227 HydrophobicContact CB-CD1 4.02Å; A167-F227 HydrophobicContact CB-CE1 3.76Å; A167-L230 HydrophobicContact CB-CD1 3.94Å
168A95.4Very high94.2Very high10 Ų1025.7 Ų25.78%0.08315%0.148CC..EExtended strand (participates in β ladder)trans-157.4171175.400000108.6M166 E170 V171 L230M166-A168 VanDerWaalsContact CE-O 3.24Å; M166-A168 WeakPolarHBondContact CE-O 3.41Å; A168-E170 PolarHBondContact O-N 3.03Å; A168-V171 HydrophobicContact CB-CB 4.19Å; A168-V171 HydrophobicContact CB-CG2 4.29Å; A168-V171 PolarHBondContact N-O 3.13Å; A168-V171 PolarHBondContact O-N 3.18Å; A168-L230 HydrophobicContact CB-CD1 4.06Å
169P93.5Very high94.2Very high100 Ų10025.1 Ų25.165%0.64915%0.146SC*.THydrogen-bonded Turntrans-49.9129.5169.9-26.636.1000110.7V171P169-V171 PolarHBondContact O-N 3.23Å; P169-V171 VanDerWaalsContact O-N 3.14Å
170E94.9Very high94.2Very high86 Ų8624.6 Ų24.640%0.40214%0.143SC..THydrogen-bonded Turntrans63.312.1179.3-51.9179166.100115.7K122 A168 Y195 H196K122-E170 WeakPolarHBondContact CE-OE1 3.38Å; K122-E170 IonicContact NZ-OE1 2.75Å; K122-E170 PolarHBondContact NZ-OE1 2.91Å; A168-E170 PolarHBondContact O-N 3.03Å; E170-Y195 WeakPolarHBondContact O-CA 3.39Å; E170-H196 PolarHBondContact O-N 2.99Å
171V96.9Very high94Very high16 Ų1628.3 Ų28.310%0.09716%0.16CC..EExtended strand (participates in β ladder)trans-124.8116.3178.3-173.50000111A167 A168 P169 H196 L198 L230A167-V171 HydrophobicContact CB-CG1 4.33Å; A167-V171 PolarHBondContact N-O 3.06Å; A168-V171 HydrophobicContact CB-CB 4.19Å; A168-V171 HydrophobicContact CB-CG2 4.29Å; A168-V171 PolarHBondContact N-O 3.13Å; A168-V171 PolarHBondContact O-N 3.18Å; P169-V171 PolarHBondContact O-N 3.23Å; P169-V171 VanDerWaalsContact O-N 3.14Å; V171-H196 CarbonylContact C-O 3.55Å; V171-H196 WeakPolarHBondContact CA-O 3.44Å; V171-H196 HydrophobicContact CG2-CB 4.31Å; V171-L198 HydrophobicContact CG1-CD1 4.22Å; V171-L198 HydrophobicContact CG1-CG 3.93Å; V171-L230 HydrophobicContact CB-CD2 4.31Å; V171-L230 HydrophobicContact CG1-CD2 3.86Å; V171-L230 HydrophobicContact CG2-CD2 3.99Å
172L96.5Very high94Very high1 Ų131.2 Ų31.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-90.6136.3172.2-62.1173.5000109.6L118 V164 C165 M166 V174 I187 Y195 H196 T197 L198L118-L172 HydrophobicContact CD2-CD2 4.06Å; V164-L172 HydrophobicContact CG2-CB 4.18Å; V164-L172 HydrophobicContact CG2-CD1 4.47Å; V164-L172 HydrophobicContact CG2-CD2 3.82Å; V164-L172 HydrophobicContact CG2-CG 4.38Å; C165-L172 WeakPolarHBondContact O-CA 3.41Å; M166-L172 HydrophobicContact CE-CD2 4.4Å; M166-L172 HydrophobicContact SD-CD2 3.4Å; M166-L172 WeakPolarHBondContact SD-CD2 3.5Å; L172-V174 HydrophobicContact CB-CG2 4.06Å; L172-I187 HydrophobicContact CD1-CD1 4.3Å; L172-I187 HydrophobicContact CD1-CG2 3.95Å; L172-Y195 HydrophobicContact CD1-CD2 4.26Å; L172-Y195 HydrophobicContact CD1-CG 3.98Å; L172-Y195 HydrophobicContact CG-CD1 4.45Å; L172-Y195 HydrophobicContact CG-CG 4.16Å; L172-H196 PolarHBondContact N-O 3.09Å; L172-T197 CarbonylContact O-C 3.54Å; L172-T197 WeakPolarHBondContact O-CA 3.42Å; L172-L198 PolarHBondContact O-N 3.13Å
173A95.3Very high94.1Very high0 Ų029.7 Ų29.70%017%0.172CC..EExtended strand (participates in β ladder)trans-103.6128.4164.200000108.3V164 C165 A167 L198 F200 V206 F227V164-A173 WeakPolarHBondContact CA-O 3.23Å; C165-A173 PolarHBondContact N-O 3.42Å; C165-A173 PolarHBondContact O-N 3.41Å; A167-A173 HydrophobicContact CB-CB 3.91Å; A173-L198 WeakPolarHBondContact CA-O 3.41Å; A173-L198 HydrophobicContact CB-CB 4.48Å; A173-F200 HydrophobicContact CB-CD2 4.14Å; A173-F200 HydrophobicContact CB-CE2 3.52Å; A173-F200 HydrophobicContact CB-CZ 4.31Å; A173-V206 HydrophobicContact CB-CG1 3.28Å; A173-F227 HydrophobicContact CB-CE1 4.05Å; A173-F227 HydrophobicContact CB-CZ 4.46Å
174V94.8Very high94.2Very high1 Ų129.5 Ų29.51%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-135.8136.6-168.5-175.40000110.1V164 L172 A180 L184 T197 L198 S199 F200 V206V164-V174 HydrophobicContact CB-CG2 4.32Å; V164-V174 HydrophobicContact CG2-CG2 3.94Å; L172-V174 HydrophobicContact CB-CG2 4.06Å; V174-A180 HydrophobicContact CG1-CB 3.96Å; V174-L184 HydrophobicContact CG1-CB 4.19Å; V174-L184 HydrophobicContact CG1-CD2 4.3Å; V174-L184 HydrophobicContact CG2-CD1 4.32Å; V174-T197 HydrophobicContact CB-CG2 4.01Å; V174-T197 HydrophobicContact CG2-CG2 3.8Å; V174-L198 PolarHBondContact N-O 3.12Å; V174-S199 WeakPolarHBondContact O-CA 3.48Å; V174-F200 PolarHBondContact O-N 2.98Å; V174-V206 VanDerWaalsContact C-CG2 3.48Å
175S89.6Confident94.3Very high2 Ų236.1 Ų36.11%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-78.6157175.373.90000111.3Y163 S177 A180 Q181Y163-S175 PolarHBondContact O-N 3.48Å; S175-S177 PolarHBondContact O-N 3.28Å; S175-S177 PolarHBondContact OG-OG 3.15Å; S175-A180 WeakPolarHBondContact O-CB 3.24Å; S175-A180 VanDerWaalsContact OG-CB 3.23Å; S175-A180 WeakPolarHBondContact OG-CB 3.47Å; S175-Q181 PolarHBondContact O-NE2 3.28Å
176S89.3Confident94.4Very high50 Ų5039 Ų3935%0.3521%0.212SC..SBendtrans-81.411.7175.846.90000114.1F200 K202S176-F200 WeakPolarHBondContact CB-O 3.46Å; S176-F200 PolarHBondContact N-O 3.36Å; S176-F200 PolarHBondContact OG-O 3.39Å; S176-K202 WeakPolarHBondContact OG-CA 3.38Å; S176-K202 PolarHBondContact OG-N 3.03Å
177S91.6Very high94.4Very high18 Ų1837.5 Ų37.513%0.12621%0.205CC..SBendtrans-65.9147.8174.369.80000111.6S175 E179 A180 Q181S175-S177 PolarHBondContact O-N 3.28Å; S175-S177 PolarHBondContact OG-OG 3.15Å; S177-E179 PolarHBondContact O-N 3.22Å; S177-A180 PolarHBondContact O-N 3.33Å; S177-A180 VanDerWaalsContact O-N 3.07Å; S177-A180 WeakPolarHBondContact OG-CB 3.29Å; S177-A180 PolarHBondContact OG-N 2.98Å; S177-Q181 WeakPolarHBondContact O-CG 3.41Å; S177-Q181 PolarHBondContact O-N 3.21Å
178S92.4Very high94.5Very high91 Ų9143.8 Ų43.864%0.63623%0.234SC*.Hα-helixtrans-56.7-38.6-178.8-56.20000112.9Q181 N182S178-Q181 PolarHBondContact O-N 3.2Å; S178-N182 VanDerWaalsContact O-CG 3.31Å; S178-N182 PolarHBondContact O-N 3.42Å; S178-N182 PolarHBondContact O-ND2 2.97Å
179E93.1Very high94.6Very high26 Ų2648.1 Ų48.112%0.12126%0.26CS..Hα-helixtrans-68.2-41.8176.9-168.964.8-168.600111.6L154 N155 Y163 S177 Q181 N182 V183L154-E179 VanDerWaalsContact CA-OE1 3.32Å; L154-E179 WeakPolarHBondContact CA-OE1 3.09Å; N155-E179 PolarHBondContact N-OE1 2.85Å; N155-E179 PolarHBondContact ND2-OE1 2.75Å; N155-E179 PolarHBondContact ND2-OE2 3.17Å; Y163-E179 HydrophobicContact CD1-CB 4.22Å; Y163-E179 HydrophobicContact CD1-CG 4.36Å; Y163-E179 HydrophobicContact CD2-CG 4.41Å; Y163-E179 HydrophobicContact CE1-CB 3.7Å; Y163-E179 HydrophobicContact CE1-CG 3.82Å; Y163-E179 HydrophobicContact CE2-CG 3.86Å; S177-E179 PolarHBondContact O-N 3.22Å; E179-Q181 VanDerWaalsContact C-N 3.31Å; E179-Q181 PolarHBondContact O-N 3.1Å; E179-N182 WeakPolarHBondContact O-CB 3.28Å; E179-N182 PolarHBondContact O-N 2.58Å; E179-N182 VanDerWaalsContact O-N 3.16Å; E179-V183 WeakPolarHBondContact O-CG2 3.08Å; E179-V183 PolarHBondContact O-N 3.05Å
180A93.9Very high94.7Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-62.9-36.4174.200000112.8Y163 V174 S175 S177 N182 V183 L184Y163-A180 HydrophobicContact CD1-CB 3.97Å; Y163-A180 HydrophobicContact CG-CB 4.33Å; V174-A180 HydrophobicContact CG1-CB 3.96Å; S175-A180 WeakPolarHBondContact O-CB 3.24Å; S175-A180 VanDerWaalsContact OG-CB 3.23Å; S175-A180 WeakPolarHBondContact OG-CB 3.47Å; S177-A180 PolarHBondContact O-N 3.33Å; S177-A180 VanDerWaalsContact O-N 3.07Å; S177-A180 WeakPolarHBondContact OG-CB 3.29Å; S177-A180 PolarHBondContact OG-N 2.98Å; A180-N182 VanDerWaalsContact C-N 3.35Å; A180-V183 PolarHBondContact O-N 3.27Å; A180-L184 WeakPolarHBondContact O-CB 3.48Å; A180-L184 PolarHBondContact O-N 3.45Å
181Q94Very high94.8Very high78 Ų7844.7 Ų44.736%0.36424%0.239SC..Hα-helixtrans-68.3-34.3174.8-62.5-55.4-61.500112.1S175 S177 S178 E179 K185S175-Q181 PolarHBondContact O-NE2 3.28Å; S177-Q181 WeakPolarHBondContact O-CG 3.41Å; S177-Q181 PolarHBondContact O-N 3.21Å; S178-Q181 PolarHBondContact O-N 3.2Å; E179-Q181 VanDerWaalsContact C-N 3.31Å; E179-Q181 PolarHBondContact O-N 3.1Å; Q181-K185 WeakPolarHBondContact O-CB 3.47Å; Q181-K185 PolarHBondContact O-N 2.74Å
182N95Very high94.8Very high88 Ų8848.2 Ų48.247%0.47126%0.261SS..Hα-helixtrans-65.3-43.5171.3-69.7-28.1000111.7S178 E179 A180 K186S178-N182 VanDerWaalsContact O-CG 3.31Å; S178-N182 PolarHBondContact O-N 3.42Å; S178-N182 PolarHBondContact O-ND2 2.97Å; E179-N182 WeakPolarHBondContact O-CB 3.28Å; E179-N182 PolarHBondContact O-N 2.58Å; E179-N182 VanDerWaalsContact O-N 3.16Å; A180-N182 VanDerWaalsContact C-N 3.35Å; N182-K186 WeakPolarHBondContact O-CB 3.16Å; N182-K186 PolarHBondContact O-N 3.47Å
183V95.9Very high94.8Very high3 Ų352.9 Ų52.92%0.01828%0.279CS..Hα-helixtrans-60.2-48.2174.5170.10000110.7V152 L154 L160 V164 E179 A180 K186 I187V152-V183 HydrophobicContact CG1-CG1 4.42Å; V152-V183 HydrophobicContact CG1-CG2 4.09Å; L154-V183 HydrophobicContact CD2-CG2 3.5Å; L154-V183 VanDerWaalsContact CD2-CG2 3.5Å; L160-V183 HydrophobicContact CD1-CG1 3.63Å; L160-V183 HydrophobicContact CD1-CG2 4.28Å; V164-V183 HydrophobicContact CG1-CG1 3.83Å; E179-V183 WeakPolarHBondContact O-CG2 3.08Å; E179-V183 PolarHBondContact O-N 3.05Å; A180-V183 PolarHBondContact O-N 3.27Å; V183-K186 WeakPolarHBondContact O-CB 3.45Å; V183-K186 PolarHBondContact O-N 3.21Å; V183-I187 HydrophobicContact CG1-CD1 3.95Å; V183-I187 WeakPolarHBondContact O-CG1 3.2Å; V183-I187 PolarHBondContact O-N 3.4Å
184L95.9Very high94.8Very high12 Ų1261.7 Ų61.76%0.06332%0.32CS..Hα-helixtrans-60.2-48.6178.9176.858.4000111.6V174 A180 K186 I187 E188 T197V174-L184 HydrophobicContact CG1-CB 4.19Å; V174-L184 HydrophobicContact CG1-CD2 4.3Å; V174-L184 HydrophobicContact CG2-CD1 4.32Å; A180-L184 WeakPolarHBondContact O-CB 3.48Å; A180-L184 PolarHBondContact O-N 3.45Å; L184-K186 PolarHBondContact O-N 3.01Å; L184-I187 WeakPolarHBondContact O-CB 3.42Å; L184-I187 PolarHBondContact O-N 3.02Å; L184-I187 VanDerWaalsContact O-N 3.08Å; L184-E188 HydrophobicContact CD1-CG 4.02Å; L184-E188 HydrophobicContact CG-CG 4.34Å; L184-E188 WeakPolarHBondContact O-CG 3.45Å; L184-E188 PolarHBondContact O-N 2.81Å; L184-T197 HydrophobicContact CD1-CG2 4.41Å; L184-T197 HydrophobicContact CD2-CG2 3.98Å
185K96.5Very high94.9Very high140 Ų14063.2 Ų63.261%0.60933%0.326SS*.Hα-helixtrans-57.5-39.1177.1-179.4175.9179.8178.30112.1Q181 T189Q181-K185 WeakPolarHBondContact O-CB 3.47Å; Q181-K185 PolarHBondContact O-N 2.74Å; K185-T189 WeakPolarHBondContact O-CB 3.42Å; K185-T189 PolarHBondContact O-N 2.66Å; K185-T189 PolarHBondContact O-OG1 2.93Å
186K96.2Very high95.3Very high65 Ų6569.6 Ų69.628%0.28336%0.355SS..Hα-helixtrans-64.5-45.8175.918069.1172.5-173.10111.1A151 V152 N182 V183 L184 T189 E190A151-K186 VanDerWaalsContact O-CE 3.25Å; A151-K186 WeakPolarHBondContact O-CE 3.38Å; V152-K186 HydrophobicContact CG1-CG 4.22Å; V152-K186 HydrophobicContact CG2-CG 4.03Å; N182-K186 WeakPolarHBondContact O-CB 3.16Å; N182-K186 PolarHBondContact O-N 3.47Å; V183-K186 WeakPolarHBondContact O-CB 3.45Å; V183-K186 PolarHBondContact O-N 3.21Å; L184-K186 PolarHBondContact O-N 3.01Å; K186-T189 PolarHBondContact O-N 3.26Å; K186-E190 HydrophobicContact CD-CG 4.35Å; K186-E190 VanDerWaalsContact CE-OE1 3.31Å; K186-E190 WeakPolarHBondContact CE-OE1 3.41Å; K186-E190 WeakPolarHBondContact CE-OE2 3.38Å; K186-E190 IonicContact NZ-OE1 3.07Å; K186-E190 PolarHBondContact NZ-OE1 3.26Å; K186-E190 IonicContact NZ-OE2 2.9Å; K186-E190 PolarHBondContact NZ-OE2 2.73Å; K186-E190 WeakPolarHBondContact O-CB 3.26Å; K186-E190 PolarHBondContact O-N 3.48Å
187I97.3Very high95.6Very high1 Ų169.4 Ų69.41%0.00535%0.352CS..Hα-helixtrans-58.5-52.5174.3-68.4169.3000109.8F125 V164 L172 V183 L184 T189 E190 A191 Y195F125-I187 HydrophobicContact CD1-CG1 3.84Å; F125-I187 HydrophobicContact CD2-CG1 4.32Å; F125-I187 HydrophobicContact CE1-CB 4.24Å; F125-I187 HydrophobicContact CE1-CG1 3.85Å; F125-I187 HydrophobicContact CE1-CG2 4.21Å; F125-I187 HydrophobicContact CE2-CG1 4.33Å; F125-I187 HydrophobicContact CE2-CG2 4.1Å; F125-I187 HydrophobicContact CG-CG1 4.1Å; F125-I187 HydrophobicContact CZ-CB 4.3Å; F125-I187 HydrophobicContact CZ-CG1 4.12Å; F125-I187 HydrophobicContact CZ-CG2 3.76Å; V164-I187 HydrophobicContact CG1-CD1 4.44Å; V164-I187 HydrophobicContact CG2-CD1 4.42Å; L172-I187 HydrophobicContact CD1-CD1 4.3Å; L172-I187 HydrophobicContact CD1-CG2 3.95Å; V183-I187 HydrophobicContact CG1-CD1 3.95Å; V183-I187 WeakPolarHBondContact O-CG1 3.2Å; V183-I187 PolarHBondContact O-N 3.4Å; L184-I187 WeakPolarHBondContact O-CB 3.42Å; L184-I187 PolarHBondContact O-N 3.02Å; L184-I187 VanDerWaalsContact O-N 3.08Å; I187-T189 PolarHBondContact O-N 3.34Å; I187-T189 VanDerWaalsContact O-N 3.16Å; I187-E190 PolarHBondContact O-N 3.34Å; I187-A191 HydrophobicContact CG2-CB 4.27Å; I187-A191 WeakPolarHBondContact O-CA 3.27Å; I187-A191 WeakPolarHBondContact O-CB 3.47Å; I187-A191 PolarHBondContact O-N 2.74Å; I187-Y195 HydrophobicContact CG2-CD2 4.21Å
188E96.4Very high95.7Very high131 Ų13170 Ų7061%0.61235%0.354SS*.Hα-helixtrans-59.5-30.6-178.9-70.2172.915900113.6L184L184-E188 HydrophobicContact CD1-CG 4.02Å; L184-E188 HydrophobicContact CG-CG 4.34Å; L184-E188 WeakPolarHBondContact O-CG 3.45Å; L184-E188 PolarHBondContact O-N 2.81Å
189T97.1Very high95.6Very high102 Ų10268.8 Ų68.863%0.62635%0.345SS*.Hα-helixtrans-84.5-33.4-178.6-54.60000112.9K185 K186 I187K185-T189 WeakPolarHBondContact O-CB 3.42Å; K185-T189 PolarHBondContact O-N 2.66Å; K185-T189 PolarHBondContact O-OG1 2.93Å; K186-T189 PolarHBondContact O-N 3.26Å; I187-T189 PolarHBondContact O-N 3.34Å; I187-T189 VanDerWaalsContact O-N 3.16Å
190E96.8Very high95.4Very high89 Ų8967.9 Ų67.942%0.41634%0.341SS..Hα-helixtrans-119.4-6.2-168.6-64.6-170.7-164.900114.7T150 K186 I187T150-E190 HydrophobicContact CG2-CB 3.87Å; T150-E190 WeakPolarHBondContact CG2-OE2 3.44Å; K186-E190 HydrophobicContact CD-CG 4.35Å; K186-E190 VanDerWaalsContact CE-OE1 3.31Å; K186-E190 WeakPolarHBondContact CE-OE1 3.41Å; K186-E190 WeakPolarHBondContact CE-OE2 3.38Å; K186-E190 IonicContact NZ-OE1 3.07Å; K186-E190 PolarHBondContact NZ-OE1 3.26Å; K186-E190 IonicContact NZ-OE2 2.9Å; K186-E190 PolarHBondContact NZ-OE2 2.73Å; K186-E190 WeakPolarHBondContact O-CB 3.26Å; K186-E190 PolarHBondContact O-N 3.48Å; I187-E190 PolarHBondContact O-N 3.34Å
191A96.4Very high94.8Very high25 Ų2572.6 Ų72.621%0.20737%0.366CS..  trans-62.6141.7172.500000110.8F125 I187 Y193 Y195F125-A191 HydrophobicContact CE1-CB 4.39Å; F125-A191 HydrophobicContact CZ-CB 3.76Å; I187-A191 HydrophobicContact CG2-CB 4.27Å; I187-A191 WeakPolarHBondContact O-CA 3.27Å; I187-A191 WeakPolarHBondContact O-CB 3.47Å; I187-A191 PolarHBondContact O-N 2.74Å; A191-Y193 VanDerWaalsContact C-N 3.27Å; A191-Y193 WeakPolarHBondContact CB-O 3.4Å; A191-Y195 HydrophobicContact CB-CD2 4.47Å; A191-Y195 HydrophobicContact CB-CE2 4Å
192T96.5Very high93.4Very high89 Ų8975.1 Ų75.155%0.54638%0.376SS..SBendtrans-73.5-28169.1-54.20000110.7E123E123-T192 PolarHBondContact OE1-N 3.42Å; E123-T192 PolarHBondContact OE2-N 2.87Å; E123-T192 PolarHBondContact OE2-OG1 3.17Å
193Y96.9Very high91.9Very high100 Ų10076.6 Ų76.639%0.39238%0.384SS..SBendtrans-117.5158.1-177-56.1-82000112K122 E123 A191 Y195K122-Y193 HydrophobicContact CB-CD2 3.58Å; K122-Y193 HydrophobicContact CB-CE2 3.57Å; K122-Y193 HydrophobicContact CB-CG 4.2Å; K122-Y193 HydrophobicContact CD-CD1 3.79Å; K122-Y193 HydrophobicContact CD-CD2 4Å; K122-Y193 HydrophobicContact CD-CE1 4.08Å; K122-Y193 HydrophobicContact CD-CE2 4.3Å; K122-Y193 HydrophobicContact CD-CG 3.74Å; K122-Y193 HydrophobicContact CG-CD2 4.48Å; E123-Y193 HydrophobicContact CG-CD2 4.47Å; E123-Y193 WeakPolarHBondContact OE1-CD2 3.36Å; E123-Y193 PolarHBondContact OE1-N 3.4Å; A191-Y193 VanDerWaalsContact C-N 3.27Å; A191-Y193 WeakPolarHBondContact CB-O 3.4Å; Y193-Y195 WeakPolarHBondContact O-CD2 3.39Å; Y193-Y195 VanDerWaalsContact O-CE2 3.29Å; Y193-Y195 WeakPolarHBondContact O-CE2 3.3Å
194Q95.9Very high90.7Very high185 Ų18581 Ų8186%0.86441%0.41SS*.  trans-92.2144.9175.2-65.2178.97.400110.7
195Y97.1Very high89.7Confident33 Ų3382 Ų8213%0.12942%0.418CS..  trans-129.8142.8179.5-58.1-82.8000109.8T120 E123 F125 E170 L172 I187 A191 Y193T120-Y195 WeakPolarHBondContact CB-OH 3.46Å; T120-Y195 HydrophobicContact CG2-CE1 3.88Å; T120-Y195 HydrophobicContact CG2-CE2 4.46Å; T120-Y195 PolarHBondContact OG1-OH 3.44Å; E123-Y195 WeakPolarHBondContact CG-OH 3.44Å; E123-Y195 WeakPolarHBondContact OE1-CE2 3.43Å; E123-Y195 PolarHBondContact OE1-OH 2.95Å; F125-Y195 HydrophobicContact CE2-CE2 4.37Å; E170-Y195 WeakPolarHBondContact O-CA 3.39Å; L172-Y195 HydrophobicContact CD1-CD2 4.26Å; L172-Y195 HydrophobicContact CD1-CG 3.98Å; L172-Y195 HydrophobicContact CG-CD1 4.45Å; L172-Y195 HydrophobicContact CG-CG 4.16Å; I187-Y195 HydrophobicContact CG2-CD2 4.21Å; A191-Y195 HydrophobicContact CB-CD2 4.47Å; A191-Y195 HydrophobicContact CB-CE2 4Å; Y193-Y195 WeakPolarHBondContact O-CD2 3.39Å; Y193-Y195 VanDerWaalsContact O-CE2 3.29Å; Y193-Y195 WeakPolarHBondContact O-CE2 3.3Å
196H96.5Very high88.9Confident135 Ų13575.3 Ų75.363%0.62539%0.389SS*.EExtended strand (participates in β ladder)trans-80.7148.7166.4-60.389.5000109.3E170 V171 L172E170-H196 PolarHBondContact O-N 2.99Å; V171-H196 CarbonylContact C-O 3.55Å; V171-H196 WeakPolarHBondContact CA-O 3.44Å; V171-H196 HydrophobicContact CG2-CB 4.31Å; L172-H196 PolarHBondContact N-O 3.09Å
197T95.4Very high88.1Confident46 Ų4672.5 Ų72.528%0.28238%0.377SS..EExtended strand (participates in β ladder)trans-119.2127.3-177.9-58.60000111L172 V174 L184L172-T197 CarbonylContact O-C 3.54Å; L172-T197 WeakPolarHBondContact O-CA 3.42Å; V174-T197 HydrophobicContact CB-CG2 4.01Å; V174-T197 HydrophobicContact CG2-CG2 3.8Å; L184-T197 HydrophobicContact CD1-CG2 4.41Å; L184-T197 HydrophobicContact CD2-CG2 3.98Å
198L94.2Very high87.9Confident30 Ų3072.5 Ų72.516%0.15738%0.378CS..EExtended strand (participates in β ladder)trans-96.5118.8162.2-65.3-177000108.8V171 L172 A173 V174 F200 F227 V229 L230V171-L198 HydrophobicContact CG1-CD1 4.22Å; V171-L198 HydrophobicContact CG1-CG 3.93Å; L172-L198 PolarHBondContact O-N 3.13Å; A173-L198 WeakPolarHBondContact CA-O 3.41Å; A173-L198 HydrophobicContact CB-CB 4.48Å; V174-L198 PolarHBondContact N-O 3.12Å; L198-F200 HydrophobicContact CB-CE2 3.64Å; L198-F200 HydrophobicContact CB-CZ 4.33Å; L198-F200 WeakPolarHBondContact O-CD2 3.37Å; L198-F200 WeakPolarHBondContact O-CE2 3.4Å; L198-F227 HydrophobicContact CD1-CD1 4.08Å; L198-F227 HydrophobicContact CD1-CE1 4.48Å; L198-V229 HydrophobicContact CD2-CG2 4.3Å; L198-L230 HydrophobicContact CD1-CD1 3.85Å; L198-L230 HydrophobicContact CD1-CD2 4.06Å; L198-L230 HydrophobicContact CD1-CG 4.13Å
199S91.3Very high87.8Confident66 Ų6666.8 Ų66.846%0.46235%0.351SS..EExtended strand (participates in β ladder)trans-96.7129.5-178.4-61.10000111.9V174 K226V174-S199 WeakPolarHBondContact O-CA 3.48Å; S199-K226 PolarHBondContact O-NZ 2.85Å
200F89.4Confident87.7Confident8 Ų863.4 Ų63.44%0.03533%0.329CS..EExtended strand (participates in β ladder)trans-108.7154.2-177.8-69-101.2000111.7A173 V174 S176 L198 V206 D223 K226 F227A173-F200 HydrophobicContact CB-CD2 4.14Å; A173-F200 HydrophobicContact CB-CE2 3.52Å; A173-F200 HydrophobicContact CB-CZ 4.31Å; V174-F200 PolarHBondContact O-N 2.98Å; S176-F200 WeakPolarHBondContact CB-O 3.46Å; S176-F200 PolarHBondContact N-O 3.36Å; S176-F200 PolarHBondContact OG-O 3.39Å; L198-F200 HydrophobicContact CB-CE2 3.64Å; L198-F200 HydrophobicContact CB-CZ 4.33Å; L198-F200 WeakPolarHBondContact O-CD2 3.37Å; L198-F200 WeakPolarHBondContact O-CE2 3.4Å; F200-V206 HydrophobicContact CD2-CG1 3.86Å; F200-V206 HydrophobicContact CE2-CG1 4.1Å; F200-V206 HydrophobicContact CG-CG1 4.28Å; F200-D223 HydrophobicContact CD1-CB 3.87Å; F200-D223 HydrophobicContact CE1-CB 4.16Å; F200-D223 VanDerWaalsContact CE1-O 3.25Å; F200-D223 WeakPolarHBondContact CE1-O 3.47Å; F200-K226 HydrophobicContact CD1-CD 4.26Å; F200-K226 HydrophobicContact CE1-CB 4.29Å; F200-K226 HydrophobicContact CE1-CD 4.1Å; F200-K226 HydrophobicContact CZ-CB 4.11Å; F200-K226 HydrophobicContact CZ-CD 4.3Å; F200-F227 HydrophobicContact CE1-CD2 4.36Å; F200-F227 HydrophobicContact CE1-CE1 4.44Å; F200-F227 AromaticContact CE1-CE2 3.59Å; F200-F227 HydrophobicContact CE1-CE2 3.59Å; F200-F227 AromaticContact CE1-CZ 3.65Å; F200-F227 HydrophobicContact CE1-CZ 3.65Å; F200-F227 HydrophobicContact CE2-CE1 4.24Å; F200-F227 HydrophobicContact CE2-CZ 4.07Å; F200-F227 HydrophobicContact CZ-CD1 4.25Å; F200-F227 HydrophobicContact CZ-CD2 4.22Å; F200-F227 AromaticContact CZ-CE1 3.6Å; F200-F227 HydrophobicContact CZ-CE1 3.6Å; F200-F227 AromaticContact CZ-CE2 3.56Å; F200-F227 HydrophobicContact CZ-CE2 3.56Å; F200-F227 AromaticContact CZ-CZ 3.21Å; F200-F227 HydrophobicContact CZ-CZ 3.21Å
201N79.9Confident87.7Confident99 Ų9959.1 Ų59.153%0.52931%0.309SS..  trans-63.2163.3-178.4-76.8-26.7000112.2
202K64.4Low87.7Confident130 Ų13060.7 Ų60.757%0.56531%0.314SS*.THydrogen-bonded Turntrans-73.6146.5-169-158-171.7166.8-176.30110.9S176S176-K202 WeakPolarHBondContact OG-CA 3.38Å; S176-K202 PolarHBondContact OG-N 3.03Å
203D64Low87.6Confident119 Ų11957.4 Ų57.464%0.63630%0.298SS*.THydrogen-bonded Turntrans80.617.8167.4-49.9-43.7000118.4
204V70.5Confident87.6Confident95 Ų9553.6 Ų53.658%0.57629%0.285SS*.SBendtrans-130.9143.2168.1-173.50000109.6
205P74.3Confident87.7Confident33 Ų3344.8 Ų44.821%0.21424%0.244CC..  trans-59.3143.4170.226.2-36.1000110.5Y162 S207 L249Y162-P205 HydrophobicContact CD2-CB 3.85Å; Y162-P205 HydrophobicContact CE2-CB 3.76Å; Y162-P205 HydrophobicContact CE2-CG 4.12Å; Y162-P205 HydrophobicContact CG-CB 4.29Å; P205-S207 PolarHBondContact O-N 3.46Å; P205-L249 HydrophobicContact CB-CD2 3.55Å; P205-L249 HydrophobicContact CG-CD2 4.16Å
206V80.1Confident87.6Confident1 Ų143.2 Ų43.21%0.00624%0.238CC..  trans-66.8-24.1176.4-1700000111.7C165 A173 V174 F200 C208C165-V206 VanDerWaalsContact SG-CG1 3.5Å; A173-V206 HydrophobicContact CB-CG1 3.28Å; V174-V206 VanDerWaalsContact C-CG2 3.48Å; F200-V206 HydrophobicContact CD2-CG1 3.86Å; F200-V206 HydrophobicContact CE2-CG1 4.1Å; F200-V206 HydrophobicContact CG-CG1 4.28Å; V206-C208 PolarHBondContact O-N 2.93Å
207S79.7Confident87.5Confident5 Ų536.8 Ų36.84%0.03521%0.208CC..  trans21.868.4171.2-167.70000115P205 L250P205-S207 PolarHBondContact O-N 3.46Å; S207-L250 WeakPolarHBondContact OG-CB 3.36Å; S207-L250 PolarHBondContact OG-N 3.39Å; S207-L250 VanDerWaalsContact OG-N 3.15Å
208C92.6Very high87.1Confident2 Ų236.5 Ų36.51%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-123.5150.1177.478.20000110.8C165 V206 F216 F227C165-C208 HydrophobicContact CB-CB 4.48Å; C165-C208 WeakPolarHBondContact CB-O 3.5Å; C165-C208 WeakPolarHBondContact CB-SG 3.22Å; C165-C208 WeakPolarHBondContact SG-CB 3.47Å; C165-C208 PolarHBondContact SG-N 3.44Å; C165-C208 VanDerWaalsContact SG-N 3.45Å; C165-C208 CovalentContact SG-SG 2.08Å; C165-C208 PolarHBondContact SG-SG 3.4Å; V206-C208 PolarHBondContact O-N 2.93Å; C208-F216 CarbonylContact C-O 3.59Å; C208-F216 VanDerWaalsContact CA-O 3.3Å; C208-F216 WeakPolarHBondContact CA-O 3.32Å; C208-F227 HydrophobicContact CB-CE1 4.2Å; C208-F227 HydrophobicContact CB-CZ 3.93Å
209M94.1Very high86.8Confident11 Ų1135.9 Ų35.95%0.05421%0.208CC..EExtended strand (participates in β ladder)trans-142133.1166.264.4176.9-178.600111.4L38 L42 V211 F216 L250 T251 C254L38-M209 HydrophobicContact CD1-CE 3.72Å; L42-M209 HydrophobicContact CD2-CE 3.85Å; L42-M209 HydrophobicContact CG-CE 4.45Å; M209-V211 HydrophobicContact CG-CG2 4.42Å; M209-V211 HydrophobicContact SD-CG2 4.42Å; M209-F216 HydrophobicContact CE-CB 3.91Å; M209-F216 HydrophobicContact CE-CD2 3.76Å; M209-F216 HydrophobicContact CE-CG 3.91Å; M209-F216 HydrophobicContact CG-CB 3.79Å; M209-F216 HydrophobicContact CG-CD2 4.08Å; M209-F216 HydrophobicContact CG-CG 4.37Å; M209-F216 PolarHBondContact N-O 2.92Å; M209-F216 PolarHBondContact O-N 3.26Å; M209-L250 HydrophobicContact CE-CD1 4.06Å; M209-L250 HydrophobicContact CE-CD2 4.22Å; M209-L250 HydrophobicContact CE-CG 4.11Å; M209-L250 HydrophobicContact CG-CD2 4.09Å; M209-L250 HydrophobicContact CG-CG 4.43Å; M209-L250 HydrophobicContact SD-CG 4.29Å; M209-T251 HydrophobicContact CB-CG2 3.99Å; M209-C254 HydrophobicContact SD-CB 4.34Å
210N95.6Very high86.5Confident30 Ų3037.7 Ų37.716%0.1622%0.216CC..EExtended strand (participates in β ladder)trans-96.5117.1174.6-169.8-50.3000110.6F4 A167 G213 V214 I215F4-N210 WeakPolarHBondContact CE2-O 3.34Å; A167-N210 WeakPolarHBondContact O-CB 3.5Å; A167-N210 PolarHBondContact O-ND2 2.9Å; N210-G213 PolarHBondContact OD1-N 2.82Å; N210-G213 VanDerWaalsContact OD1-N 3.12Å; N210-V214 CarbonylContact C-O 3.59Å; N210-V214 WeakPolarHBondContact CA-O 3.31Å; N210-I215 HydrophobicContact CB-CG1 4.41Å
211V96.6Very high86.3Confident0 Ų039.7 Ų39.70%024%0.24CC..EExtended strand (participates in β ladder)trans-120.3112.3175.7-172.80000108.2F4 L42 A45 V47 M209 G213 V214 F216 L256F4-V211 HydrophobicContact CB-CG1 4.11Å; F4-V211 HydrophobicContact CD2-CB 4.47Å; F4-V211 HydrophobicContact CD2-CG1 4.06Å; F4-V211 HydrophobicContact CG-CG1 4.42Å; L42-V211 HydrophobicContact CD2-CG2 4Å; A45-V211 HydrophobicContact CB-CG1 4.44Å; V47-V211 HydrophobicContact CG1-CG1 3.54Å; V47-V211 HydrophobicContact CG2-CG1 4.38Å; M209-V211 HydrophobicContact CG-CG2 4.42Å; M209-V211 HydrophobicContact SD-CG2 4.42Å; V211-G213 PolarHBondContact O-N 3.26Å; V211-G213 VanDerWaalsContact O-N 3.13Å; V211-V214 PolarHBondContact N-O 2.88Å; V211-V214 WeakPolarHBondContact O-CB 3.22Å; V211-V214 PolarHBondContact O-N 2.99Å; V211-F216 HydrophobicContact CB-CD2 4.28Å; V211-F216 HydrophobicContact CB-CE2 3.84Å; V211-F216 HydrophobicContact CG2-CD2 3.89Å; V211-F216 HydrophobicContact CG2-CE2 3.84Å; V211-L256 HydrophobicContact CG1-CD2 4.29Å; V211-L256 HydrophobicContact CG2-CD1 3.8Å; V211-L256 HydrophobicContact CG2-CD2 3.85Å
212N96Very high86.6Confident57 Ų5738.7 Ų38.731%0.30524%0.24SC..THydrogen-bonded Turntrans54.932.9175.3-61.9-18.1000114.8P3 F4 A45P3-N212 WeakPolarHBondContact CA-OD1 3.33Å; P3-N212 WeakPolarHBondContact CB-OD1 3.32Å; F4-N212 PolarHBondContact N-OD1 3.41Å; F4-N212 PolarHBondContact O-ND2 2.64Å; F4-N212 VanDerWaalsContact O-ND2 3.11Å; A45-N212 WeakPolarHBondContact O-CB 3.47Å; A45-N212 PolarHBondContact O-ND2 3.09Å
213G95.5Very high87.7Confident20 Ų2034 Ų3421%0.20622%0.221CC..THydrogen-bonded Turntrans88.8-0.8-17700000113.8N210 V211 C233 T234N210-G213 PolarHBondContact OD1-N 2.82Å; N210-G213 VanDerWaalsContact OD1-N 3.12Å; V211-G213 PolarHBondContact O-N 3.26Å; V211-G213 VanDerWaalsContact O-N 3.13Å; G213-C233 CarbonylContact O-C 3.6Å; G213-C233 WeakPolarHBondContact O-CA 3.25Å; G213-T234 PolarHBondContact O-N 3.44Å
214V97.5Very high88.8Confident21 Ų2128.9 Ų28.913%0.12720%0.195CC..EExtended strand (participates in β ladder)trans-98.2120.5171.5-173.60000109.1A45 N210 V211 F216 T234 Q236A45-V214 HydrophobicContact CB-CB 4.06Å; A45-V214 HydrophobicContact CB-CG2 3.85Å; N210-V214 CarbonylContact C-O 3.59Å; N210-V214 WeakPolarHBondContact CA-O 3.31Å; V211-V214 PolarHBondContact N-O 2.88Å; V211-V214 WeakPolarHBondContact O-CB 3.22Å; V211-V214 PolarHBondContact O-N 2.99Å; V214-F216 HydrophobicContact CB-CE2 4.21Å; V214-F216 HydrophobicContact CB-CZ 4.24Å; V214-F216 HydrophobicContact CG1-CD1 4.49Å; V214-F216 HydrophobicContact CG1-CE1 3.94Å; V214-F216 HydrophobicContact CG1-CE2 4.04Å; V214-F216 HydrophobicContact CG1-CZ 3.71Å; V214-T234 CarbonylContact C-O 3.19Å; V214-T234 WeakPolarHBondContact CA-O 3.38Å; V214-Q236 HydrophobicContact CG1-CB 4.04Å; V214-Q236 HydrophobicContact CG1-CG 3.66Å
215I96.7Very high89.8Confident0 Ų030.3 Ų30.30%020%0.196CC..EExtended strand (participates in β ladder)trans-93.2107.1176.3-58.3175.7000108.1A167 N210 F227 L230 C233 T234 Q236A167-I215 WeakPolarHBondContact O-CD1 3.34Å; A167-I215 WeakPolarHBondContact O-CG1 3.25Å; N210-I215 HydrophobicContact CB-CG1 4.41Å; I215-F227 HydrophobicContact CD1-CB 4.24Å; I215-F227 HydrophobicContact CD1-CD1 4.25Å; I215-F227 HydrophobicContact CG2-CD1 3.99Å; I215-F227 HydrophobicContact CG2-CE1 4.28Å; I215-F227 HydrophobicContact CG2-CG 4.16Å; I215-L230 HydrophobicContact CD1-CB 4.41Å; I215-L230 HydrophobicContact CD1-CD1 3.51Å; I215-C233 HydrophobicContact CD1-CB 3.69Å; I215-C233 HydrophobicContact CG1-CB 4.06Å; I215-T234 PolarHBondContact N-O 2.94Å; I215-Q236 PolarHBondContact O-N 3.34Å
216F96Very high90.6Very high0 Ų031.6 Ų31.60%020%0.198CC..EExtended strand (participates in β ladder)trans-81.9128.4170-63.2-72.6000109.9K41 L42 A45 C208 M209 V211 V214 Q236 I238 L250K41-F216 HydrophobicContact CB-CE1 3.67Å; K41-F216 HydrophobicContact CB-CZ 4.28Å; K41-F216 WeakPolarHBondContact O-CZ 3.38Å; L42-F216 HydrophobicContact CD2-CD2 4.42Å; L42-F216 HydrophobicContact CD2-CE2 3.92Å; L42-F216 HydrophobicContact CD2-CZ 4.42Å; A45-F216 HydrophobicContact CB-CE2 4.13Å; A45-F216 HydrophobicContact CB-CZ 3.89Å; C208-F216 CarbonylContact C-O 3.59Å; C208-F216 VanDerWaalsContact CA-O 3.3Å; C208-F216 WeakPolarHBondContact CA-O 3.32Å; M209-F216 HydrophobicContact CE-CB 3.91Å; M209-F216 HydrophobicContact CE-CD2 3.76Å; M209-F216 HydrophobicContact CE-CG 3.91Å; M209-F216 HydrophobicContact CG-CB 3.79Å; M209-F216 HydrophobicContact CG-CD2 4.08Å; M209-F216 HydrophobicContact CG-CG 4.37Å; M209-F216 PolarHBondContact N-O 2.92Å; M209-F216 PolarHBondContact O-N 3.26Å; V211-F216 HydrophobicContact CB-CD2 4.28Å; V211-F216 HydrophobicContact CB-CE2 3.84Å; V211-F216 HydrophobicContact CG2-CD2 3.89Å; V211-F216 HydrophobicContact CG2-CE2 3.84Å; V214-F216 HydrophobicContact CB-CE2 4.21Å; V214-F216 HydrophobicContact CB-CZ 4.24Å; V214-F216 HydrophobicContact CG1-CD1 4.49Å; V214-F216 HydrophobicContact CG1-CE1 3.94Å; V214-F216 HydrophobicContact CG1-CE2 4.04Å; V214-F216 HydrophobicContact CG1-CZ 3.71Å; F216-Q236 WeakPolarHBondContact CA-O 3.27Å; F216-Q236 HydrophobicContact CD1-CB 4.1Å; F216-Q236 HydrophobicContact CE1-CB 4.14Å; F216-Q236 VanDerWaalsContact CE1-OE1 3.22Å; F216-I238 HydrophobicContact CB-CD1 4.26Å; F216-I238 HydrophobicContact CD1-CG2 4.08Å; F216-L250 HydrophobicContact CB-CD2 3.96Å
217T93.2Very high91.2Very high0 Ų031.6 Ų31.60%020%0.198CC..EExtended strand (participates in β ladder)trans-146.2145.3179.2-174.90000111.8C219 F227 V235 Q236 T237 I238T217-C219 VanDerWaalsContact C-N 3.33Å; T217-C219 HydrophobicContact CG2-CB 4.38Å; T217-C219 VanDerWaalsContact OG1-CB 3.27Å; T217-C219 WeakPolarHBondContact OG1-CB 3.29Å; T217-C219 PolarHBondContact OG1-N 2.79Å; T217-C219 PolarHBondContact OG1-SG 2.81Å; T217-C219 VanDerWaalsContact OG1-SG 3.33Å; T217-F227 HydrophobicContact CG2-CD2 4.15Å; T217-F227 HydrophobicContact CG2-CE2 4.09Å; T217-V235 HydrophobicContact CG2-CG1 4Å; T217-Q236 PolarHBondContact N-O 3Å; T217-Q236 VanDerWaalsContact N-O 3.1Å; T217-T237 VanDerWaalsContact O-CA 3.31Å; T217-T237 WeakPolarHBondContact O-CA 3.44Å; T217-I238 PolarHBondContact O-N 3.48Å
218A88.5Confident91.8Very high39 Ų3936.6 Ų36.632%0.32222%0.224SC..  trans-87.7-5.6166.800000112.4I240A218-I240 HydrophobicContact CB-CD1 3.73Å; A218-I240 HydrophobicContact CB-CG1 3.64Å
219C86.8Confident91.8Very high18 Ų1841.5 Ų41.512%0.12225%0.254CS..  trans-62.9142.1175.4-61.50000109.8T217 D223 A224 F227 T237T217-C219 VanDerWaalsContact C-N 3.33Å; T217-C219 HydrophobicContact CG2-CB 4.38Å; T217-C219 VanDerWaalsContact OG1-CB 3.27Å; T217-C219 WeakPolarHBondContact OG1-CB 3.29Å; T217-C219 PolarHBondContact OG1-N 2.79Å; T217-C219 PolarHBondContact OG1-SG 2.81Å; T217-C219 VanDerWaalsContact OG1-SG 3.33Å; C219-D223 HydrophobicContact CB-CB 4.12Å; C219-A224 HydrophobicContact CB-CB 4.45Å; C219-A224 WeakPolarHBondContact O-CB 3.32Å; C219-F227 HydrophobicContact CB-CE2 4.4Å; C219-T237 WeakPolarHBondContact O-CG2 3.34Å; C219-T237 PolarHBondContact O-OG1 3.42Å
220T84.4Confident91.8Very high103 Ų10341.7 Ų41.763%0.63226%0.255SS*.  trans-123.8165.9176.260.20000110.1T237T220-T237 HydrophobicContact CG2-CG2 4.18Å
221G85.9Confident91.6Very high51 Ų5146 Ų4653%0.52628%0.284SS..Hα-helixtrans58.8-140.3177.500000113.6D223 A224 E225G221-D223 PolarHBondContact O-N 3.3Å; G221-A224 WeakPolarHBondContact O-CB 2.99Å; G221-A224 PolarHBondContact O-N 3.25Å; G221-E225 PolarHBondContact O-N 3.31Å
222S86.8Confident91.4Very high77 Ų7750 Ų5054%0.53833%0.326SS..Hα-helixtrans-64.6-23-173.758.80000114.2K226S222-K226 PolarHBondContact O-N 3.23Å
223D87.3Confident91.4Very high33 Ų3348.6 Ų48.618%0.17632%0.321CS..Hα-helixtrans-72.5-39.5173.1-82.3-33.1000110.9F200 C219 G221 E225 K226F200-D223 HydrophobicContact CD1-CB 3.87Å; F200-D223 HydrophobicContact CE1-CB 4.16Å; F200-D223 VanDerWaalsContact CE1-O 3.25Å; F200-D223 WeakPolarHBondContact CE1-O 3.47Å; C219-D223 HydrophobicContact CB-CB 4.12Å; G221-D223 PolarHBondContact O-N 3.3Å; D223-E225 VanDerWaalsContact C-N 3.3Å; D223-E225 PolarHBondContact O-N 3.47Å; D223-K226 WeakPolarHBondContact O-CB 3.5Å; D223-K226 PolarHBondContact O-N 2.56Å; D223-K226 WeakPolarHBondContact OD1-CE 3.34Å; D223-K226 IonicContact OD1-NZ 2.58Å; D223-K226 PolarHBondContact OD1-NZ 3.31Å
224A87.8Confident91.4Very high11 Ų1151.9 Ų51.99%0.09134%0.337CS..Hα-helixtrans-61.9-39.8173.200000111.8C219 G221 K226 F227C219-A224 HydrophobicContact CB-CB 4.45Å; C219-A224 WeakPolarHBondContact O-CB 3.32Å; G221-A224 WeakPolarHBondContact O-CB 2.99Å; G221-A224 PolarHBondContact O-N 3.25Å; A224-K226 PolarHBondContact O-N 3.01Å; A224-F227 WeakPolarHBondContact O-CD2 3.31Å; A224-F227 PolarHBondContact O-N 3.45Å; A224-F227 VanDerWaalsContact O-N 3.13Å
225E90Very high91.3Very high125 Ų12552.4 Ų52.458%0.58434%0.34SS*.Hα-helixtrans-62.5-25.2179.8-68.4175.2174.500113.4G221 D223 F227 N228G221-E225 PolarHBondContact O-N 3.31Å; D223-E225 VanDerWaalsContact C-N 3.3Å; D223-E225 PolarHBondContact O-N 3.47Å; E225-F227 PolarHBondContact O-N 3.22Å; E225-N228 VanDerWaalsContact O-CB 3.3Å; E225-N228 WeakPolarHBondContact O-CB 3.4Å; E225-N228 PolarHBondContact O-N 3.24Å
226K91.4Very high91.2Very high59 Ų5954.4 Ų54.426%0.25735%0.349SS..G310 helixtrans-60.3-26.2175.7-70.3173.6-177.8169.80112.8S199 F200 S222 D223 A224 N228 V229S199-K226 PolarHBondContact O-NZ 2.85Å; F200-K226 HydrophobicContact CD1-CD 4.26Å; F200-K226 HydrophobicContact CE1-CB 4.29Å; F200-K226 HydrophobicContact CE1-CD 4.1Å; F200-K226 HydrophobicContact CZ-CB 4.11Å; F200-K226 HydrophobicContact CZ-CD 4.3Å; S222-K226 PolarHBondContact O-N 3.23Å; D223-K226 WeakPolarHBondContact O-CB 3.5Å; D223-K226 PolarHBondContact O-N 2.56Å; D223-K226 WeakPolarHBondContact OD1-CE 3.34Å; D223-K226 IonicContact OD1-NZ 2.58Å; D223-K226 PolarHBondContact OD1-NZ 3.31Å; A224-K226 PolarHBondContact O-N 3.01Å; K226-N228 VanDerWaalsContact C-N 3.34Å; K226-V229 WeakPolarHBondContact O-CG2 3.4Å
227F93.3Very high91.1Very high1 Ų157.9 Ų57.90%0.00437%0.37CS..G310 helixtrans-77.5-19176.9-62.6-71000112.9A167 A173 L198 F200 C208 I215 T217 C219 A224 E225 V229 L230 V235A167-F227 HydrophobicContact CB-CD1 4.02Å; A167-F227 HydrophobicContact CB-CE1 3.76Å; A173-F227 HydrophobicContact CB-CE1 4.05Å; A173-F227 HydrophobicContact CB-CZ 4.46Å; L198-F227 HydrophobicContact CD1-CD1 4.08Å; L198-F227 HydrophobicContact CD1-CE1 4.48Å; F200-F227 HydrophobicContact CE1-CD2 4.36Å; F200-F227 HydrophobicContact CE1-CE1 4.44Å; F200-F227 AromaticContact CE1-CE2 3.59Å; F200-F227 HydrophobicContact CE1-CE2 3.59Å; F200-F227 AromaticContact CE1-CZ 3.65Å; F200-F227 HydrophobicContact CE1-CZ 3.65Å; F200-F227 HydrophobicContact CE2-CE1 4.24Å; F200-F227 HydrophobicContact CE2-CZ 4.07Å; F200-F227 HydrophobicContact CZ-CD1 4.25Å; F200-F227 HydrophobicContact CZ-CD2 4.22Å; F200-F227 AromaticContact CZ-CE1 3.6Å; F200-F227 HydrophobicContact CZ-CE1 3.6Å; F200-F227 AromaticContact CZ-CE2 3.56Å; F200-F227 HydrophobicContact CZ-CE2 3.56Å; F200-F227 AromaticContact CZ-CZ 3.21Å; F200-F227 HydrophobicContact CZ-CZ 3.21Å; C208-F227 HydrophobicContact CB-CE1 4.2Å; C208-F227 HydrophobicContact CB-CZ 3.93Å; I215-F227 HydrophobicContact CD1-CB 4.24Å; I215-F227 HydrophobicContact CD1-CD1 4.25Å; I215-F227 HydrophobicContact CG2-CD1 3.99Å; I215-F227 HydrophobicContact CG2-CE1 4.28Å; I215-F227 HydrophobicContact CG2-CG 4.16Å; T217-F227 HydrophobicContact CG2-CD2 4.15Å; T217-F227 HydrophobicContact CG2-CE2 4.09Å; C219-F227 HydrophobicContact CB-CE2 4.4Å; A224-F227 WeakPolarHBondContact O-CD2 3.31Å; A224-F227 PolarHBondContact O-N 3.45Å; A224-F227 VanDerWaalsContact O-N 3.13Å; E225-F227 PolarHBondContact O-N 3.22Å; F227-V229 PolarHBondContact O-N 3.35Å; F227-V229 VanDerWaalsContact O-N 3.16Å; F227-L230 HydrophobicContact CD1-CD1 4.09Å; F227-L230 WeakPolarHBondContact O-CB 3.39Å; F227-L230 WeakPolarHBondContact O-CG 3.4Å; F227-L230 PolarHBondContact O-N 3.19Å; F227-L230 VanDerWaalsContact O-N 3.1Å; F227-V235 HydrophobicContact CB-CB 4.49Å; F227-V235 HydrophobicContact CB-CG1 4.2Å; F227-V235 HydrophobicContact CB-CG2 3.44Å; F227-V235 VanDerWaalsContact CB-CG2 3.44Å
228N92.3Very high91.1Very high110 Ų11058.2 Ų58.259%0.58837%0.372SS*.G310 helixtrans-67.4-16.5-177.2-68.4-27.9000113.6E225 K226 L230 V235E225-N228 VanDerWaalsContact O-CB 3.3Å; E225-N228 WeakPolarHBondContact O-CB 3.4Å; E225-N228 PolarHBondContact O-N 3.24Å; K226-N228 VanDerWaalsContact C-N 3.34Å; N228-L230 PolarHBondContact O-N 3.41Å; N228-V235 VanDerWaalsContact OD1-CG2 3.26Å; N228-V235 WeakPolarHBondContact OD1-CG2 3.46Å
229V91.8Very high91.3Very high106 Ų10662.7 Ų62.764%0.64239%0.386SS*.G310 helixtrans-77.9-8.1176.5-51.40000112.8L198 K226 F227 P231L198-V229 HydrophobicContact CD2-CG2 4.3Å; K226-V229 WeakPolarHBondContact O-CG2 3.4Å; F227-V229 PolarHBondContact O-N 3.35Å; F227-V229 VanDerWaalsContact O-N 3.16Å; V229-P231 WeakPolarHBondContact O-CD 3.36Å
230L94.5Very high91.7Very high14 Ų1462 Ų627%0.07338%0.381CS..SBendtrans-83.2113.2-174.5-59.8179.8000111.1A167 A168 V171 L198 I215 F227 N228 C233A167-L230 HydrophobicContact CB-CD1 3.94Å; A168-L230 HydrophobicContact CB-CD1 4.06Å; V171-L230 HydrophobicContact CB-CD2 4.31Å; V171-L230 HydrophobicContact CG1-CD2 3.86Å; V171-L230 HydrophobicContact CG2-CD2 3.99Å; L198-L230 HydrophobicContact CD1-CD1 3.85Å; L198-L230 HydrophobicContact CD1-CD2 4.06Å; L198-L230 HydrophobicContact CD1-CG 4.13Å; I215-L230 HydrophobicContact CD1-CB 4.41Å; I215-L230 HydrophobicContact CD1-CD1 3.51Å; F227-L230 HydrophobicContact CD1-CD1 4.09Å; F227-L230 WeakPolarHBondContact O-CB 3.39Å; F227-L230 WeakPolarHBondContact O-CG 3.4Å; F227-L230 PolarHBondContact O-N 3.19Å; F227-L230 VanDerWaalsContact O-N 3.1Å; N228-L230 PolarHBondContact O-N 3.41Å; L230-C233 HydrophobicContact CB-CB 4.13Å; L230-C233 PolarHBondContact O-N 2.82Å
231P91.9Very high92.1Very high120 Ų12061.9 Ų61.978%0.77938%0.377SS*.THydrogen-bonded Turntrans-66.2141.7-173.927.5-34.8000111.6V229 C233V229-P231 WeakPolarHBondContact O-CD 3.36Å; P231-C233 PolarHBondContact O-N 2.72Å
232G92.4Very high92.6Very high84 Ų8459.8 Ų59.887%0.86635%0.353SS*.THydrogen-bonded Turntrans69.68.4179.700000114.3
233C95.8Very high93Very high29 Ų2956.1 Ų56.120%0.19633%0.328CS..  trans-107145.7175.8-61.90000111.4G213 I215 L230 P231G213-C233 CarbonylContact O-C 3.6Å; G213-C233 WeakPolarHBondContact O-CA 3.25Å; I215-C233 HydrophobicContact CD1-CB 3.69Å; I215-C233 HydrophobicContact CG1-CB 4.06Å; L230-C233 HydrophobicContact CB-CB 4.13Å; L230-C233 PolarHBondContact O-N 2.82Å; P231-C233 PolarHBondContact O-N 2.72Å
234T95.7Very high93.2Very high89 Ų8956.3 Ų56.355%0.54633%0.33SS..EExtended strand (participates in β ladder)trans-112135.5165.5-58.30000108.3G213 V214 I215G213-T234 PolarHBondContact O-N 3.44Å; V214-T234 CarbonylContact C-O 3.19Å; V214-T234 WeakPolarHBondContact CA-O 3.38Å; I215-T234 PolarHBondContact N-O 2.94Å
235V95Very high93.3Very high31 Ų3158.9 Ų58.919%0.18834%0.339CS..EExtended strand (participates in β ladder)trans-92.8128.7179.1-173.80000108.8T217 F227 N228T217-V235 HydrophobicContact CG2-CG1 4Å; F227-V235 HydrophobicContact CB-CB 4.49Å; F227-V235 HydrophobicContact CB-CG1 4.2Å; F227-V235 HydrophobicContact CB-CG2 3.44Å; F227-V235 VanDerWaalsContact CB-CG2 3.44Å; N228-V235 VanDerWaalsContact OD1-CG2 3.26Å; N228-V235 WeakPolarHBondContact OD1-CG2 3.46Å
236Q94.7Very high93.2Very high43 Ų4356.8 Ų56.820%0.20133%0.332CS..EExtended strand (participates in β ladder)trans-120108.6169.8-72.3-166.90.400109V214 I215 F216 T217V214-Q236 HydrophobicContact CG1-CB 4.04Å; V214-Q236 HydrophobicContact CG1-CG 3.66Å; I215-Q236 PolarHBondContact O-N 3.34Å; F216-Q236 WeakPolarHBondContact CA-O 3.27Å; F216-Q236 HydrophobicContact CD1-CB 4.1Å; F216-Q236 HydrophobicContact CE1-CB 4.14Å; F216-Q236 VanDerWaalsContact CE1-OE1 3.22Å; T217-Q236 PolarHBondContact N-O 3Å; T217-Q236 VanDerWaalsContact N-O 3.1Å
237T92.8Very high93Very high72 Ų7259.7 Ų59.744%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-75.4131.4167.5-610000108.7T217 C219 T220T217-T237 VanDerWaalsContact O-CA 3.31Å; T217-T237 WeakPolarHBondContact O-CA 3.44Å; C219-T237 WeakPolarHBondContact O-CG2 3.34Å; C219-T237 PolarHBondContact O-OG1 3.42Å; T220-T237 HydrophobicContact CG2-CG2 4.18Å
238I93.3Very high92.9Very high7 Ų759.8 Ų59.84%0.03635%0.348CS..  trans-122.113918053.6171.5000110.3L38 K41 F216 T217 I240 L250L38-I238 HydrophobicContact CD1-CD1 3.74Å; K41-I238 HydrophobicContact CG-CG2 4.38Å; F216-I238 HydrophobicContact CB-CD1 4.26Å; F216-I238 HydrophobicContact CD1-CG2 4.08Å; T217-I238 PolarHBondContact O-N 3.48Å; I238-I240 HydrophobicContact CB-CG2 4.24Å; I238-I240 HydrophobicContact CD1-CD1 4.26Å; I238-I240 HydrophobicContact CD1-CG2 3.65Å; I238-I240 HydrophobicContact CG1-CD1 4.47Å; I238-I240 HydrophobicContact CG1-CG1 4.47Å; I238-I240 HydrophobicContact CG1-CG2 3.87Å; I238-I240 PolarHBondContact O-N 2.98Å; I238-L250 HydrophobicContact CD1-CD1 3.59Å; I238-L250 HydrophobicContact CD1-CD2 3.73Å; I238-L250 HydrophobicContact CD1-CG 4.29Å
239E94Very high93Very high134 Ų13454.6 Ų54.663%0.62632%0.32SS*.  trans-79.8102175.2-66.4-174.217900109Q34Q34-E239 WeakPolarHBondContact CB-O 3.35Å; Q34-E239 VanDerWaalsContact CD-O 3.26Å; Q34-E239 WeakPolarHBondContact CG-O 3.29Å
240I94Very high93.1Very high3 Ų349.6 Ų49.62%0.01529%0.289CS..  trans-132.320.3-178.562.7168.2000112.1Q34 A218 I238 E242 M243 T244 L250Q34-I240 VanDerWaalsContact OE1-CA 3.23Å; A218-I240 HydrophobicContact CB-CD1 3.73Å; A218-I240 HydrophobicContact CB-CG1 3.64Å; I238-I240 HydrophobicContact CB-CG2 4.24Å; I238-I240 HydrophobicContact CD1-CD1 4.26Å; I238-I240 HydrophobicContact CD1-CG2 3.65Å; I238-I240 HydrophobicContact CG1-CD1 4.47Å; I238-I240 HydrophobicContact CG1-CG1 4.47Å; I238-I240 HydrophobicContact CG1-CG2 3.87Å; I238-I240 PolarHBondContact O-N 2.98Å; I240-E242 PolarHBondContact O-N 3.45Å; I240-M243 HydrophobicContact CB-CB 4.27Å; I240-M243 HydrophobicContact CB-SD 4.37Å; I240-M243 HydrophobicContact CG2-SD 4.05Å; I240-M243 PolarHBondContact O-N 3.33Å; I240-T244 HydrophobicContact CB-CG2 4.4Å; I240-T244 HydrophobicContact CD1-CG2 3.58Å; I240-T244 HydrophobicContact CG1-CG2 3.88Å; I240-T244 WeakPolarHBondContact O-CB 3.46Å; I240-T244 WeakPolarHBondContact O-CG2 3.45Å; I240-T244 PolarHBondContact O-N 2.63Å; I240-T244 PolarHBondContact O-OG1 3.03Å; I240-L250 HydrophobicContact CD1-CB 3.6Å; I240-L250 HydrophobicContact CD1-CD1 3.73Å; I240-L250 HydrophobicContact CD1-CD2 4.17Å; I240-L250 HydrophobicContact CD1-CG 4.01Å
241D93.5Very high93.1Very high100 Ų10049.7 Ų49.754%0.53529%0.291SS..THydrogen-bonded Turntrans-60.2-35.6-177.262.7-48.3000111.9Q34 K245Q34-D241 PolarHBondContact NE2-OD1 3.27Å; D241-K245 WeakPolarHBondContact O-CG 3.37Å; D241-K245 PolarHBondContact O-N 3.2Å
242E96.1Very high93.3Very high7 Ų744.4 Ų44.43%0.03326%0.255CS..THydrogen-bonded Turntrans-70.1-44.1174.9-162.863.1-139.800111.1V26 D27 L30 F31 I240 T244 K245V26-E242 WeakPolarHBondContact CA-OE1 3.5Å; V26-E242 HydrophobicContact CG1-CG 4.38Å; D27-E242 PolarHBondContact N-OE1 3.16Å; D27-E242 WeakPolarHBondContact O-CG 3.37Å; L30-E242 HydrophobicContact CB-CB 4.47Å; L30-E242 HydrophobicContact CB-CG 4.06Å; L30-E242 HydrophobicContact CD2-CB 4.01Å; L30-E242 HydrophobicContact CD2-CG 4.13Å; L30-E242 HydrophobicContact CG-CB 3.88Å; L30-E242 HydrophobicContact CG-CG 4Å; F31-E242 HydrophobicContact CB-CG 4.01Å; I240-E242 PolarHBondContact O-N 3.45Å; E242-T244 VanDerWaalsContact C-N 3.29Å; E242-T244 PolarHBondContact O-N 2.72Å; E242-K245 WeakPolarHBondContact O-CB 3.24Å; E242-K245 PolarHBondContact O-N 3.45Å; E242-K245 VanDerWaalsContact OE1-CD 3.26Å; E242-K245 WeakPolarHBondContact OE1-CD 3.41Å; E242-K245 WeakPolarHBondContact OE1-CE 3.13Å; E242-K245 IonicContact OE1-NZ 3.79Å; E242-K245 PolarHBondContact OE1-NZ 3.49Å; E242-K245 WeakPolarHBondContact OE2-CE 3.41Å; E242-K245 IonicContact OE2-NZ 2.65Å; E242-K245 PolarHBondContact OE2-NZ 2.95Å
243M94.9Very high93.5Very high1 Ų140.4 Ų40.41%0.00521%0.214CC..THydrogen-bonded Turntrans-65-32.2176.8-63.6177.367.400113F31 Q34 Q35 L38 I240 Y253F31-M243 HydrophobicContact CD1-CG 4.41Å; F31-M243 HydrophobicContact CD2-CB 4.32Å; F31-M243 HydrophobicContact CD2-CG 4.04Å; F31-M243 HydrophobicContact CE1-CG 4.32Å; F31-M243 HydrophobicContact CE2-CB 4.03Å; F31-M243 HydrophobicContact CE2-CG 4.01Å; F31-M243 HydrophobicContact CG-CG 4.24Å; F31-M243 HydrophobicContact CZ-CB 4.4Å; F31-M243 HydrophobicContact CZ-CG 4.12Å; Q34-M243 VanDerWaalsContact C-SD 3.56Å; Q34-M243 HydrophobicContact CB-CG 3.84Å; Q34-M243 HydrophobicContact CB-SD 3.72Å; Q34-M243 VanDerWaalsContact OE1-N 3.16Å; Q35-M243 HydrophobicContact CB-CE 4.08Å; Q35-M243 HydrophobicContact CB-SD 4.09Å; Q35-M243 HydrophobicContact CG-CE 4.47Å; Q35-M243 PolarHBondContact N-SD 2.9Å; Q35-M243 VanDerWaalsContact N-SD 3.44Å; L38-M243 HydrophobicContact CD2-CE 4.01Å; I240-M243 HydrophobicContact CB-CB 4.27Å; I240-M243 HydrophobicContact CB-SD 4.37Å; I240-M243 HydrophobicContact CG2-SD 4.05Å; I240-M243 PolarHBondContact O-N 3.33Å; M243-Y253 HydrophobicContact CB-CE2 4.01Å; M243-Y253 HydrophobicContact CE-CD1 4.26Å; M243-Y253 HydrophobicContact CE-CD2 3.81Å; M243-Y253 HydrophobicContact CE-CE2 4.15Å; M243-Y253 HydrophobicContact CE-CG 3.85Å; M243-Y253 WeakPolarHBondContact O-CE2 3.47Å; M243-Y253 VanDerWaalsContact O-CZ 3.31Å; M243-Y253 PolarHBondContact O-OH 2.95Å
244T91.7Very high93.5Very high36 Ų3639.1 Ų39.122%0.22121%0.206CC..THydrogen-bonded Turntrans-93.83.6-177.555.20000113I240 E242 E247 A248I240-T244 HydrophobicContact CB-CG2 4.4Å; I240-T244 HydrophobicContact CD1-CG2 3.58Å; I240-T244 HydrophobicContact CG1-CG2 3.88Å; I240-T244 WeakPolarHBondContact O-CB 3.46Å; I240-T244 WeakPolarHBondContact O-CG2 3.45Å; I240-T244 PolarHBondContact O-N 2.63Å; I240-T244 PolarHBondContact O-OG1 3.03Å; E242-T244 VanDerWaalsContact C-N 3.29Å; E242-T244 PolarHBondContact O-N 2.72Å; T244-E247 PolarHBondContact O-N 3.31Å; T244-A248 WeakPolarHBondContact CB-O 3.26Å; T244-A248 WeakPolarHBondContact CG2-O 3.41Å; T244-A248 PolarHBondContact O-N 2.91Å
245K90Very high93.6Very high66 Ų6635.1 Ų35.129%0.28718%0.181SC..G310 helixtrans-53.4155.6163.5-75.8-176.9-179.31710110.5V25 V26 D241 E242 E247V25-K245 PolarHBondContact O-NZ 3.03Å; V26-K245 HydrophobicContact CG2-CB 4.24Å; V26-K245 HydrophobicContact CG2-CD 4.22Å; D241-K245 WeakPolarHBondContact O-CG 3.37Å; D241-K245 PolarHBondContact O-N 3.2Å; E242-K245 WeakPolarHBondContact O-CB 3.24Å; E242-K245 PolarHBondContact O-N 3.45Å; E242-K245 VanDerWaalsContact OE1-CD 3.26Å; E242-K245 WeakPolarHBondContact OE1-CD 3.41Å; E242-K245 WeakPolarHBondContact OE1-CE 3.13Å; E242-K245 IonicContact OE1-NZ 3.79Å; E242-K245 PolarHBondContact OE1-NZ 3.49Å; E242-K245 WeakPolarHBondContact OE2-CE 3.41Å; E242-K245 IonicContact OE2-NZ 2.65Å; E242-K245 PolarHBondContact OE2-NZ 2.95Å; K245-E247 PolarHBondContact O-N 3.48Å
246N88.2Confident93.7Very high80 Ų8035.1 Ų35.143%0.42818%0.18SC..G310 helixtrans5925.8-173.5-166.169.5000113L23 M60 A248L23-N246 HydrophobicContact CD1-CB 4.36Å; L23-N246 HydrophobicContact CD2-CB 4.21Å; M60-N246 HydrophobicContact SD-CB 4.21Å; N246-A248 VanDerWaalsContact C-N 3.27Å; N246-A248 PolarHBondContact O-N 3.19Å
247E87.3Confident93.7Very high120 Ų12033.1 Ų33.156%0.56117%0.17SC*.G310 helixtrans64.727.2171.6-48.5170.6105.700114K158 T244 K245K158-E247 WeakPolarHBondContact CE-OE1 3.32Å; K158-E247 IonicContact NZ-OE1 2.66Å; K158-E247 PolarHBondContact NZ-OE1 2.93Å; K158-E247 IonicContact NZ-OE2 3.42Å; K158-E247 PolarHBondContact NZ-OE2 2.77Å; T244-E247 PolarHBondContact O-N 3.31Å; K245-E247 PolarHBondContact O-N 3.48Å
248A91.5Very high93.6Very high4 Ų431.6 Ų31.63%0.03316%0.157CC..  trans-72.8150.9171.600000111.3M60 F64 T244 N246 Y253M60-A248 HydrophobicContact CE-CB 3.7Å; F64-A248 HydrophobicContact CE1-CB 3.84Å; F64-A248 HydrophobicContact CZ-CB 3.69Å; T244-A248 WeakPolarHBondContact CB-O 3.26Å; T244-A248 WeakPolarHBondContact CG2-O 3.41Å; T244-A248 PolarHBondContact O-N 2.91Å; N246-A248 VanDerWaalsContact C-N 3.27Å; N246-A248 PolarHBondContact O-N 3.19Å; A248-Y253 HydrophobicContact CB-CE2 4.08Å
249L93.3Very high92.9Very high1 Ų135.4 Ų35.41%0.00517%0.174CC..  trans-100.2146.1178.6-58.5175.3000111.3P159 K161 Y162 P205 T251 Q252 Y253P159-L249 HydrophobicContact CG-CD1 3.88Å; K161-L249 HydrophobicContact CB-CD1 4.05Å; Y162-L249 HydrophobicContact CD2-CD2 3.83Å; Y162-L249 HydrophobicContact CG-CD2 4.45Å; P205-L249 HydrophobicContact CB-CD2 3.55Å; P205-L249 HydrophobicContact CG-CD2 4.16Å; L249-T251 PolarHBondContact O-N 2.7Å; L249-Q252 HydrophobicContact CB-CG 4.1Å; L249-Q252 WeakPolarHBondContact O-CB 3.47Å; L249-Q252 PolarHBondContact O-N 3.1Å; L249-Y253 WeakPolarHBondContact O-CD2 3.37Å
250L94.1Very high91.8Very high0 Ų033.5 Ų33.50%017%0.167CC..G310 helixtrans-49.7-46171.6173.455.6000111.9L38 S207 M209 F216 I238 I240 Q252 Y253L38-L250 HydrophobicContact CD1-CD1 3.88Å; L38-L250 HydrophobicContact CD2-CD1 3.79Å; S207-L250 WeakPolarHBondContact OG-CB 3.36Å; S207-L250 PolarHBondContact OG-N 3.39Å; S207-L250 VanDerWaalsContact OG-N 3.15Å; M209-L250 HydrophobicContact CE-CD1 4.06Å; M209-L250 HydrophobicContact CE-CD2 4.22Å; M209-L250 HydrophobicContact CE-CG 4.11Å; M209-L250 HydrophobicContact CG-CD2 4.09Å; M209-L250 HydrophobicContact CG-CG 4.43Å; M209-L250 HydrophobicContact SD-CG 4.29Å; F216-L250 HydrophobicContact CB-CD2 3.96Å; I238-L250 HydrophobicContact CD1-CD1 3.59Å; I238-L250 HydrophobicContact CD1-CD2 3.73Å; I238-L250 HydrophobicContact CD1-CG 4.29Å; I240-L250 HydrophobicContact CD1-CB 3.6Å; I240-L250 HydrophobicContact CD1-CD1 3.73Å; I240-L250 HydrophobicContact CD1-CD2 4.17Å; I240-L250 HydrophobicContact CD1-CG 4.01Å; L250-Q252 PolarHBondContact O-N 3.02Å; L250-Y253 PolarHBondContact O-N 3.43Å
251T94.8Very high90.4Very high17 Ų1742.7 Ų42.710%0.10421%0.207CC..G310 helixtrans-62.7-29.4-177.5460000112.8D66 M209 L249 Y253 C254D66-T251 WeakPolarHBondContact CB-O 3.48Å; M209-T251 HydrophobicContact CB-CG2 3.99Å; L249-T251 PolarHBondContact O-N 2.7Å; T251-Y253 PolarHBondContact O-N 3.06Å; T251-C254 PolarHBondContact O-N 2.87Å
252Q95.5Very high88.4Confident8 Ų845.9 Ų45.94%0.03722%0.218CC..G310 helixtrans-64.1-31.9-178.7-76.5178.2-79.500112.2F64 V65 D66 D67 L249 L250 C254F64-Q252 CarbonylContact C-O 3.43Å; F64-Q252 WeakPolarHBondContact CA-O 3.24Å; F64-Q252 HydrophobicContact CB-CB 4.07Å; F64-Q252 HydrophobicContact CD1-CB 3.76Å; F64-Q252 HydrophobicContact CE1-CB 4.39Å; F64-Q252 HydrophobicContact CG-CB 3.9Å; V65-Q252 PolarHBondContact N-O 3.25Å; V65-Q252 VanDerWaalsContact N-O 3.13Å; D66-Q252 PolarHBondContact N-O 2.76Å; D66-Q252 VanDerWaalsContact N-O 3.11Å; D67-Q252 PolarHBondContact OD2-NE2 2.83Å; L249-Q252 HydrophobicContact CB-CG 4.1Å; L249-Q252 WeakPolarHBondContact O-CB 3.47Å; L249-Q252 PolarHBondContact O-N 3.1Å; L250-Q252 PolarHBondContact O-N 3.02Å; Q252-C254 VanDerWaalsContact C-N 3.3Å; Q252-C254 PolarHBondContact O-N 2.72Å
253Y96.4Very high85.9Confident1 Ų153.1 Ų53.10%0.00425%0.254CS..G310 helixtrans-77.6-9.6-177.4-67.3-67.4000115.1F31 M60 L63 F64 V65 M243 A248 L249 L250 T251F31-Y253 HydrophobicContact CE2-CE1 4.46Å; F31-Y253 AromaticContact CZ-CE1 3.82Å; F31-Y253 HydrophobicContact CZ-CE1 3.82Å; F31-Y253 AromaticContact CZ-CZ 3.99Å; M60-Y253 WeakPolarHBondContact CE-OH 3.12Å; L63-Y253 HydrophobicContact CB-CD1 3.92Å; L63-Y253 HydrophobicContact CB-CE1 3.77Å; L63-Y253 HydrophobicContact CD1-CE1 4.13Å; F64-Y253 HydrophobicContact CD1-CD1 4.14Å; F64-Y253 AromaticContact CD1-CE1 3.86Å; F64-Y253 HydrophobicContact CD1-CE1 3.86Å; F64-Y253 HydrophobicContact CE1-CD1 4.31Å; F64-Y253 AromaticContact CE1-CE1 3.61Å; F64-Y253 HydrophobicContact CE1-CE1 3.61Å; F64-Y253 HydrophobicContact CE1-CE2 4.34Å; F64-Y253 AromaticContact CE1-CZ 3.65Å; V65-Y253 WeakPolarHBondContact CG2-O 3.33Å; M243-Y253 HydrophobicContact CB-CE2 4.01Å; M243-Y253 HydrophobicContact CE-CD1 4.26Å; M243-Y253 HydrophobicContact CE-CD2 3.81Å; M243-Y253 HydrophobicContact CE-CE2 4.15Å; M243-Y253 HydrophobicContact CE-CG 3.85Å; M243-Y253 WeakPolarHBondContact O-CE2 3.47Å; M243-Y253 VanDerWaalsContact O-CZ 3.31Å; M243-Y253 PolarHBondContact O-OH 2.95Å; A248-Y253 HydrophobicContact CB-CE2 4.08Å; L249-Y253 WeakPolarHBondContact O-CD2 3.37Å; L250-Y253 PolarHBondContact O-N 3.43Å; T251-Y253 PolarHBondContact O-N 3.06Å
254C96.9Very high83.1Confident2 Ų261.4 Ų61.41%0.01429%0.29CS..  trans-134.8112.1-170.2-176.30000111.6M209 T251 Q252 L256M209-C254 HydrophobicContact SD-CB 4.34Å; T251-C254 PolarHBondContact O-N 2.87Å; Q252-C254 VanDerWaalsContact C-N 3.3Å; Q252-C254 PolarHBondContact O-N 2.72Å; C254-L256 VanDerWaalsContact SG-CD2 3.55Å
255L97.5Very high80.5Confident4 Ų467.3 Ų67.32%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-93105.4172.3178.764.5000109.4I8 V65 A69 I71 V90 L257I8-L255 HydrophobicContact CB-CB 4.25Å; I8-L255 HydrophobicContact CD1-CD2 4.13Å; I8-L255 PolarHBondContact N-O 2.93Å; I8-L255 PolarHBondContact O-N 3.38Å; V65-L255 HydrophobicContact CB-CB 4.22Å; V65-L255 HydrophobicContact CG2-CB 3.96Å; A69-L255 HydrophobicContact CB-CD1 4.29Å; A69-L255 HydrophobicContact CB-CD2 4.13Å; I71-L255 HydrophobicContact CD1-CD1 3.74Å; I71-L255 HydrophobicContact CD1-CD2 3.91Å; I71-L255 HydrophobicContact CD1-CG 3.88Å; I71-L255 HydrophobicContact CG1-CD1 4.22Å; V90-L255 HydrophobicContact CG1-CD2 3.78Å; L255-L257 HydrophobicContact CG-CD2 4.14Å
256L96.7Very high78.2Confident32 Ų3276.8 Ų76.817%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-85.6131.9-174.7-67.7170.3000112.8F4 A7 L42 V211 C254F4-L256 HydrophobicContact CD1-CB 3.61Å; F4-L256 HydrophobicContact CE1-CB 3.52Å; F4-L256 HydrophobicContact CE1-CD1 4.26Å; F4-L256 HydrophobicContact CE1-CG 4.47Å; F4-L256 HydrophobicContact CE2-CD1 4.24Å; F4-L256 HydrophobicContact CG-CB 4.31Å; F4-L256 HydrophobicContact CZ-CB 4.16Å; F4-L256 HydrophobicContact CZ-CD1 4.06Å; A7-L256 HydrophobicContact CB-CD2 4.08Å; L42-L256 HydrophobicContact CD2-CD2 4.48Å; V211-L256 HydrophobicContact CG1-CD2 4.29Å; V211-L256 HydrophobicContact CG2-CD1 3.8Å; V211-L256 HydrophobicContact CG2-CD2 3.85Å; C254-L256 VanDerWaalsContact SG-CD2 3.55Å
257L95.8Very high77.7Confident0 Ų076.6 Ų76.60%036%0.358CS..EExtended strand (participates in β ladder)trans-118.3133.1-172.7-51.3-170.8000112.9T5 H6 I8 I71 L94 L97 F99 L255T5-L257 PolarHBondContact N-O 3.33Å; T5-L257 PolarHBondContact OG1-O 3.39Å; H6-L257 HydrophobicContact CB-CB 4.09Å; H6-L257 HydrophobicContact CB-CD1 4.06Å; H6-L257 HydrophobicContact CB-CG 4.32Å; H6-L257 PolarHBondContact N-O 2.73Å; H6-L257 PolarHBondContact O-N 3.29Å; I8-L257 HydrophobicContact CD1-CD1 3.81Å; I8-L257 HydrophobicContact CD1-CD2 4.45Å; I8-L257 HydrophobicContact CD1-CG 4.45Å; I8-L257 HydrophobicContact CG1-CD1 4.03Å; I71-L257 HydrophobicContact CD1-CD2 3.17Å; I71-L257 HydrophobicContact CG1-CD2 4.49Å; I71-L257 HydrophobicContact CG2-CD2 4.46Å; L94-L257 HydrophobicContact CD2-CD1 4.02Å; L94-L257 HydrophobicContact CD2-CD2 3.75Å; L97-L257 HydrophobicContact CD1-CD1 3.51Å; F99-L257 HydrophobicContact CE2-CB 4.41Å; F99-L257 HydrophobicContact CE2-CD1 4.25Å; F99-L257 HydrophobicContact CZ-CB 3.93Å; L255-L257 HydrophobicContact CG-CD2 4.14Å
258K91Very high77.2Confident40 Ų4074.3 Ų74.317%0.17435%0.348CS..  trans-110.598168.1-62.3-171.8-178-158.20109.8M1 S2 F4 I260M1-K258 PolarHBondContact SD-NZ 2.96Å; S2-K258 WeakPolarHBondContact O-CD 3.16Å; S2-K258 WeakPolarHBondContact O-CE 3.42Å; S2-K258 PolarHBondContact O-NZ 2.94Å; F4-K258 HydrophobicContact CD1-CD 4.17Å; F4-K258 VanDerWaalsContact CD1-CE 3.46Å; F4-K258 HydrophobicContact CD1-CG 3.49Å; F4-K258 VanDerWaalsContact CD1-CG 3.49Å; F4-K258 HydrophobicContact CE1-CD 4.15Å; F4-K258 HydrophobicContact CE1-CG 3.84Å; F4-K258 HydrophobicContact CG-CG 4.21Å; F4-K258 VanDerWaalsContact CZ-CE 3.41Å; K258-I260 PolarHBondContact O-N 3.15Å
259K78.5Confident76.4Confident87 Ų8778.2 Ų78.238%0.37837%0.365SS..PPolyproline II helixtrans-64.8130.7172.8-168.6170.5-174.7166.50109.2T5 L97 K261T5-K259 HydrophobicContact CG2-CB 4.15Å; T5-K259 PolarHBondContact OG1-N 2.88Å; L97-K259 VanDerWaalsContact O-CE 3.3Å; L97-K259 WeakPolarHBondContact O-CE 3.33Å; K259-K261 PolarHBondContact O-N 3.32Å
260I70.9Confident75.4Confident95 Ų9582.8 Ų82.849%0.48739%0.386SS..PPolyproline II helixtrans-69.6119.7169-59.2178.6000106.6N73 K258 H262N73-I260 WeakPolarHBondContact O-CD1 3.43Å; K258-I260 PolarHBondContact O-N 3.15Å; I260-H262 PolarHBondContact O-N 2.94Å; I260-H262 VanDerWaalsContact O-N 3.11Å
261K63.3Low74.2Confident196 Ų19687.9 Ų87.985%0.85241%0.411SS*.PPolyproline II helixtrans-60.5118163.2-71.3-173.5179.3-177.40105.8K259 M263K259-K261 PolarHBondContact O-N 3.32Å; K261-M263 PolarHBondContact O-N 3.01Å
262H52.8Low72.9Confident167 Ų16792.7 Ų92.777%0.77343%0.431SS*.  trans-41.6114.4173.5-76.2-73000108I260 K264I260-H262 PolarHBondContact O-N 2.94Å; I260-H262 VanDerWaalsContact O-N 3.11Å; H262-K264 VanDerWaalsContact C-N 3.34Å; H262-K264 PolarHBondContact O-N 2.81Å
263M43.4Very low71.2Confident159 Ų15998.7 Ų98.778%0.78346%0.459SS*.  trans-57113.6157.3-74.7-179.657.600103.1K261 N265K261-M263 PolarHBondContact O-N 3.01Å; M263-N265 PolarHBondContact O-N 2.65Å
264K36.4Very low69.3Low175 Ų175106.2 Ų106.276%0.76149%0.494SS*.  trans-43.4121.9175.1-78.3-179.1173.8-1790106.4H262 F266H262-K264 VanDerWaalsContact C-N 3.34Å; H262-K264 PolarHBondContact O-N 2.81Å; K264-F266 PolarHBondContact O-N 2.72Å
265N37Very low67Low159 Ų159114.9 Ų114.985%0.8553%0.534SS*.  trans-49.6114.7169.8-69.4-17.5000106.1M263M263-N265 PolarHBondContact O-N 2.65Å
266F40.5Very low64.2Low265 Ų265125 Ų125100%1.16258%0.581SS**  trans-81.80162.8-72.9-80.2000107.4K264K264-F266 PolarHBondContact O-N 2.72Å

Retrieved 266 of 266 residues in 817.7 ms (Link to these results)

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