A0A077ZG18_TRITR Loading...

Aminotran 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG18, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 432 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
1M75.4Confident87.5Confident130 Ų130119.3 Ų119.364%0.6464%0.643SS**  0-17.20-79-65.4-79.700111.9W3 F4 V10M1-W3 PolarHBondContact O-N 3.25Å; M1-F4 PolarHBondContact O-N 3.07Å; M1-V10 HydrophobicContact CE-CG1 3.94Å
2D85.1Confident87.6Confident158 Ų158112.3 Ų112.385%0.84560%0.602SS**THydrogen-bonded Turntrans-56.9-24.4-172-47.2-14.2000115.4F4D2-F4 VanDerWaalsContact C-N 3.29Å; D2-F4 PolarHBondContact O-N 3.5Å
3W91.4Very high87.2Confident239 Ų239118.5 Ų118.591%0.90561%0.611SS**THydrogen-bonded Turntrans-79.8-6.6176.3-54.2105.1000114.2M1M1-W3 PolarHBondContact O-N 3.25Å
4F88.6Confident87.1Confident136 Ų136121.9 Ų121.960%0.59663%0.631SS**SBendtrans-119.2135.1-176.7-58.2-72.5000111M1 D2M1-F4 PolarHBondContact O-N 3.07Å; D2-F4 VanDerWaalsContact C-N 3.29Å; D2-F4 PolarHBondContact O-N 3.5Å
5S90.9Very high87.1Confident76 Ų76120.1 Ų120.153%0.53162%0.623SS.*  trans-58.7145.3175.2174.30000111.4A7 V8S5-A7 PolarHBondContact O-N 3.05Å; S5-A7 WeakPolarHBondContact OG-CB 3.31Å; S5-A7 PolarHBondContact OG-N 3.37Å; S5-V8 WeakPolarHBondContact O-CB 3.37Å; S5-V8 PolarHBondContact O-N 2.91Å
6S87.3Confident87.3Confident109 Ų109116.4 Ų116.476%0.76261%0.609SS**THydrogen-bonded Turntrans-61-11.2171.560.20000113.8V8S6-V8 VanDerWaalsContact C-N 3.26Å
7A89.5Confident87.6Confident80 Ų80111.6 Ų111.666%0.66158%0.584SS**THydrogen-bonded Turntrans-72.1-17.1171.600000113.3S5 T9S5-A7 PolarHBondContact O-N 3.05Å; S5-A7 WeakPolarHBondContact OG-CB 3.31Å; S5-A7 PolarHBondContact OG-N 3.37Å; A7-T9 PolarHBondContact O-N 2.88Å
8V89.1Confident88Confident79 Ų79112.2 Ų112.248%0.47959%0.585SS.*SBendtrans-77.2107175-178.50000109.2S5 S6 V10S5-V8 WeakPolarHBondContact O-CB 3.37Å; S5-V8 PolarHBondContact O-N 2.91Å; S6-V8 VanDerWaalsContact C-N 3.26Å; V8-V10 PolarHBondContact O-N 3.37Å
9T88.9Confident88.4Confident137 Ų137109.8 Ų109.884%0.8457%0.572SS**  trans-72.5126.8177.5-56.80000110.9A7A7-T9 PolarHBondContact O-N 2.88Å
10V89.9Confident88.9Confident48 Ų48109.1 Ų109.129%0.29157%0.572SS.*  trans-111.1150.6169.6-61.30000110.3M1 V8 P16M1-V10 HydrophobicContact CE-CG1 3.94Å; V8-V10 PolarHBondContact O-N 3.37Å; V10-P16 HydrophobicContact CG2-CB 4.28Å; V10-P16 HydrophobicContact CG2-CG 4.04Å
11F86.8Confident89.3Confident120 Ų120110 Ų11053%0.52657%0.568SS.*THydrogen-bonded Turntrans-63.7144.3167.8-73.8-74.1000110.2I39F11-I39 HydrophobicContact CD1-CD1 4.11Å; F11-I39 HydrophobicContact CE1-CD1 3.73Å; F11-I39 HydrophobicContact CE2-CD1 4.35Å; F11-I39 HydrophobicContact CZ-CD1 3.86Å
12Y88.4Confident90.4Very high36 Ų36104.3 Ų104.314%0.14154%0.542CS..THydrogen-bonded Turntrans56.953.7175.9-45.3-64.7000113D14 N15 P16 L17 V385 R389 C394 I395Y12-D14 PolarHBondContact O-N 3.41Å; Y12-N15 WeakPolarHBondContact CB-O 3.49Å; Y12-N15 CarbonylContact O-C 3.57Å; Y12-N15 WeakPolarHBondContact O-CA 3.21Å; Y12-N15 PolarHBondContact O-N 3.17Å; Y12-P16 WeakPolarHBondContact O-CA 3.43Å; Y12-L17 HydrophobicContact CD2-CB 4.38Å; Y12-V385 HydrophobicContact CD1-CG1 4.41Å; Y12-V385 HydrophobicContact CE1-CG1 3.82Å; Y12-R389 HydrophobicContact CD1-CB 4.27Å; Y12-R389 VanDerWaalsContact CD1-CD 3.47Å; Y12-R389 HydrophobicContact CD1-CG 4.18Å; Y12-R389 HydrophobicContact CD2-CG 4.36Å; Y12-R389 HydrophobicContact CE1-CB 3.9Å; Y12-R389 HydrophobicContact CE1-CG 4.07Å; Y12-R389 HydrophobicContact CE2-CG 4.26Å; Y12-R389 VanDerWaalsContact CG-CD 3.41Å; Y12-R389 HydrophobicContact CG-CG 4.31Å; Y12-C394 VanDerWaalsContact OH-CA 3.24Å; Y12-C394 WeakPolarHBondContact OH-CA 3.5Å; Y12-I395 PolarHBondContact OH-N 3.02Å; Y12-I395 PolarHBondContact OH-O 2.73Å
13R82.5Confident91Very high192 Ų192100.7 Ų100.773%0.72552%0.52SS*.THydrogen-bonded Turntrans-43.3-41.1-172-170.2179.3-177176.91.3115.7N15R13-N15 VanDerWaalsContact C-N 3.3Å; R13-N15 PolarHBondContact O-N 3.04Å
14D85.7Confident91.4Very high166 Ų16695 Ų9589%0.88850%0.502SS*.THydrogen-bonded Turntrans-74.4-21-177-54.5-34.9000113.3Y12Y12-D14 PolarHBondContact O-N 3.41Å
15N87.3Confident91.8Very high95 Ų9589.1 Ų89.151%0.50848%0.476SS..SBendtrans-152.381.4175.6-179.7-11.8000107.7Y12 R13 R389Y12-N15 WeakPolarHBondContact CB-O 3.49Å; Y12-N15 CarbonylContact O-C 3.57Å; Y12-N15 WeakPolarHBondContact O-CA 3.21Å; Y12-N15 PolarHBondContact O-N 3.17Å; R13-N15 VanDerWaalsContact C-N 3.3Å; R13-N15 PolarHBondContact O-N 3.04Å; N15-R389 PolarHBondContact ND2-NH1 3.25Å; N15-R389 PolarHBondContact O-NE 2.8Å; N15-R389 PolarHBondContact O-NH1 3.49Å; N15-R389 PolarHBondContact O-NH2 2.81Å; N15-R389 PolarHBondContact OD1-NH2 3.45Å
16P90.7Very high92.2Very high61 Ų6187.2 Ų87.240%0.39646%0.457SS..  trans-60.5149.9-178.2-24.935.9000111.4V10 Y12V10-P16 HydrophobicContact CG2-CB 4.28Å; V10-P16 HydrophobicContact CG2-CG 4.04Å; Y12-P16 WeakPolarHBondContact O-CA 3.43Å
17L91.9Very high92.7Very high36 Ų3683 Ų8319%0.18843%0.426CS..  trans-97.4117.6178.7-171.563.2000109.8Y12 I19 D29 Y35Y12-L17 HydrophobicContact CD2-CB 4.38Å; L17-I19 HydrophobicContact CD1-CD1 4.31Å; L17-I19 HydrophobicContact CD2-CD1 3.55Å; L17-I19 HydrophobicContact CD2-CG1 4.22Å; L17-I19 HydrophobicContact CG-CD1 3.53Å; L17-I19 HydrophobicContact CG-CG1 4.12Å; L17-I19 PolarHBondContact O-N 3.05Å; L17-D29 HydrophobicContact CD1-CB 4.16Å; L17-Y35 HydrophobicContact CD1-CD1 4.47Å; L17-Y35 HydrophobicContact CD1-CD2 4.22Å; L17-Y35 HydrophobicContact CD1-CE1 3.93Å; L17-Y35 HydrophobicContact CD1-CE2 3.68Å; L17-Y35 HydrophobicContact CD2-CD1 4Å; L17-Y35 HydrophobicContact CD2-CD2 4.25Å; L17-Y35 HydrophobicContact CD2-CE1 4.22Å; L17-Y35 HydrophobicContact CD2-CE2 4.49Å; L17-Y35 HydrophobicContact CD2-CG 4.03Å
18M94.8Very high93.1Very high122 Ų12281.5 Ų81.560%0.60140%0.404SS*.  trans-89.3101.7176.1176.8178.4-67.800109.5V20 D29 E30M18-V20 HydrophobicContact CG-CG1 4.21Å; M18-D29 WeakPolarHBondContact O-CA 3.34Å; M18-E30 WeakPolarHBondContact CB-OE2 3.37Å; M18-E30 PolarHBondContact O-N 3.4Å; M18-E30 HydrophobicContact SD-CB 4.21Å; M18-E30 HydrophobicContact SD-CG 4.49Å
19I96.3Very high93.5Very high67 Ų6778.2 Ų78.234%0.34438%0.384SS..EExtended strand (participates in β ladder)trans-90.5124.1178.6-61.1-53.2000110.3L17 R21 L27 Y28L17-I19 HydrophobicContact CD1-CD1 4.31Å; L17-I19 HydrophobicContact CD2-CD1 3.55Å; L17-I19 HydrophobicContact CD2-CG1 4.22Å; L17-I19 HydrophobicContact CG-CD1 3.53Å; L17-I19 HydrophobicContact CG-CG1 4.12Å; L17-I19 PolarHBondContact O-N 3.05Å; I19-R21 WeakPolarHBondContact CG2-O 3.36Å; I19-L27 HydrophobicContact CD1-CB 3.61Å; I19-L27 HydrophobicContact CD1-CD1 4.35Å; I19-L27 HydrophobicContact CG1-CB 4.12Å; I19-L27 HydrophobicContact CG1-CD1 4.29Å; I19-L27 HydrophobicContact CG2-CB 4.16Å; I19-L27 HydrophobicContact CG2-CD2 4.19Å; I19-Y28 WeakPolarHBondContact CA-O 3.15Å
20V97.7Very high93.9Very high95 Ų9576.7 Ų76.758%0.57637%0.367SS*.EExtended strand (participates in β ladder)trans-112.7-17.4-179.4-57.20000113.1M18 Y28 D29 E30M18-V20 HydrophobicContact CG-CG1 4.21Å; V20-Y28 PolarHBondContact N-O 3.1Å; V20-D29 WeakPolarHBondContact CG2-O 3.48Å; V20-E30 HydrophobicContact CG1-CB 4.07Å
21R98Very high94.2Very high127 Ų12780.6 Ų80.648%0.47939%0.386SS..EExtended strand (participates in β ladder)trans-148.7150.3176.4171.9177.7138.682.36.9109.4I19 E23 Y28I19-R21 WeakPolarHBondContact CG2-O 3.36Å; R21-E23 IonicContact CZ-OE2 3.49Å; R21-E23 IonicContact NH1-OE2 3.45Å; R21-E23 PolarHBondContact NH1-OE2 2.94Å; R21-E23 IonicContact NH2-OE2 2.71Å; R21-E23 PolarHBondContact NH2-OE2 2.87Å; R21-Y28 HydrophobicContact CB-CD2 4.4Å; R21-Y28 HydrophobicContact CG-CD2 4.03Å; R21-Y28 PolarHBondContact N-O 3.13Å; R21-Y28 WeakPolarHBondContact O-CA 3.31Å; R21-Y28 WeakPolarHBondContact O-CB 3.34Å; R21-Y28 PolarHBondContact O-N 3.33Å
22A98.3Very high94.7Very high12 Ų1277.3 Ų77.310%0.09939%0.387CS..EExtended strand (participates in β ladder)trans-150.4147.4173.900000110.1Y26 L27 H47 S48A22-Y26 CarbonylContact C-O 3.58Å; A22-Y26 VanDerWaalsContact CA-O 3.26Å; A22-Y26 WeakPolarHBondContact CA-O 3.34Å; A22-Y26 WeakPolarHBondContact CB-O 3.49Å; A22-L27 HydrophobicContact CB-CD2 3.66Å; A22-H47 HydrophobicContact CB-CB 3.46Å; A22-H47 VanDerWaalsContact CB-CB 3.46Å; A22-S48 WeakPolarHBondContact O-CB 3.42Å; A22-S48 PolarHBondContact O-OG 2.99Å
23E98.1Very high95.2Very high81 Ų8179.7 Ų79.738%0.37940%0.397SS..EExtended strand (participates in β ladder)trans-153.3130.3-179.3-176.8-178.4163.900110.1R21 Q25 Y26 Y28 H47R21-E23 IonicContact CZ-OE2 3.49Å; R21-E23 IonicContact NH1-OE2 3.45Å; R21-E23 PolarHBondContact NH1-OE2 2.94Å; R21-E23 IonicContact NH2-OE2 2.71Å; R21-E23 PolarHBondContact NH2-OE2 2.87Å; E23-Q25 PolarHBondContact O-N 3.2Å; E23-Y26 PolarHBondContact N-O 2.94Å; E23-Y26 PolarHBondContact O-N 3.15Å; E23-Y28 HydrophobicContact CB-CE2 4.46Å; E23-H47 WeakPolarHBondContact CA-O 3.2Å
24K97.8Very high95.9Very high120 Ų12074.8 Ų74.852%0.52238%0.379SS..BIsolated β-bridgetrans52.9-118.1-178.1-60.2178.9177.4-176.80111.1G46 H47K24-G46 CarbonylContact O-C 3.52Å; K24-G46 VanDerWaalsContact O-CA 3.32Å; K24-G46 WeakPolarHBondContact O-CA 3.33Å; K24-H47 PolarHBondContact N-O 3.08Å; K24-H47 WeakPolarHBondContact O-CB 3.24Å; K24-H47 PolarHBondContact O-CD2 3.33Å; K24-H47 PolarHBondContact O-N 3.1Å
25Q98Very high96.5Very high12 Ų1267.6 Ų67.66%0.05634%0.339CS..THydrogen-bonded Turntrans-95.713.1177.666.9-8422.600114E23 L36 D37 P410 C412 F413 N417E23-Q25 PolarHBondContact O-N 3.2Å; Q25-L36 HydrophobicContact CB-CD1 4.36Å; Q25-L36 HydrophobicContact CG-CD1 3.73Å; Q25-D37 PolarHBondContact O-N 2.98Å; Q25-P410 HydrophobicContact CB-CB 4.43Å; Q25-P410 HydrophobicContact CB-CG 4.34Å; Q25-C412 PolarHBondContact OE1-SG 3.38Å; Q25-C412 VanDerWaalsContact OE1-SG 3.33Å; Q25-F413 HydrophobicContact CB-CD2 4.04Å; Q25-F413 HydrophobicContact CG-CD2 4.18Å; Q25-N417 PolarHBondContact NE2-OD1 3Å
26Y98.6Very high97Very high36 Ų3663 Ų6314%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-117.1140.1-174.6-60.9-68.5000112.7A22 E23 R34 Y35 L36 N417A22-Y26 CarbonylContact C-O 3.58Å; A22-Y26 VanDerWaalsContact CA-O 3.26Å; A22-Y26 WeakPolarHBondContact CA-O 3.34Å; A22-Y26 WeakPolarHBondContact CB-O 3.49Å; E23-Y26 PolarHBondContact N-O 2.94Å; E23-Y26 PolarHBondContact O-N 3.15Å; Y26-R34 VanDerWaalsContact CD1-CD 3.47Å; Y26-R34 HydrophobicContact CD1-CG 3.67Å; Y26-R34 HydrophobicContact CE1-CG 4.42Å; Y26-R34 HydrophobicContact CG-CG 3.96Å; Y26-R34 PolarHBondContact OH-NH1 3.17Å; Y26-Y35 CarbonylContact C-O 3.56Å; Y26-Y35 VanDerWaalsContact CA-O 3.29Å; Y26-Y35 WeakPolarHBondContact CA-O 3.31Å; Y26-L36 HydrophobicContact CD1-CB 4.47Å; Y26-L36 HydrophobicContact CD1-CD1 4.07Å; Y26-L36 HydrophobicContact CE1-CB 4.33Å; Y26-L36 HydrophobicContact CE1-CD1 3.6Å; Y26-N417 PolarHBondContact OH-ND2 3.08Å
27L98.3Very high97.3Very high22 Ų2260.4 Ų60.412%0.11530%0.298CS..EExtended strand (participates in β ladder)trans-109.8152169.9-52.2170000108.8I19 A22 R34 Y35 D37 H47I19-L27 HydrophobicContact CD1-CB 3.61Å; I19-L27 HydrophobicContact CD1-CD1 4.35Å; I19-L27 HydrophobicContact CG1-CB 4.12Å; I19-L27 HydrophobicContact CG1-CD1 4.29Å; I19-L27 HydrophobicContact CG2-CB 4.16Å; I19-L27 HydrophobicContact CG2-CD2 4.19Å; A22-L27 HydrophobicContact CB-CD2 3.66Å; L27-R34 CarbonylContact O-C 3.53Å; L27-R34 WeakPolarHBondContact O-CA 3.26Å; L27-Y35 PolarHBondContact N-O 3.12Å; L27-Y35 PolarHBondContact O-N 3.06Å; L27-D37 HydrophobicContact CD1-CB 4.13Å; L27-D37 HydrophobicContact CG-CB 4.12Å; L27-H47 VanDerWaalsContact CD2-CE1 3.42Å; L27-H47 WeakPolarHBondContact CD2-CE1 3.28Å; L27-H47 WeakPolarHBondContact CD2-NE2 3.43Å
28Y98.4Very high97.6Very high47 Ų4758.7 Ų58.718%0.18429%0.289CS..EExtended strand (participates in β ladder)trans-130.1128.9178.3-59.6-96.8000109.5I19 V20 R21 E23 K33 R34I19-Y28 WeakPolarHBondContact CA-O 3.15Å; V20-Y28 PolarHBondContact N-O 3.1Å; R21-Y28 HydrophobicContact CB-CD2 4.4Å; R21-Y28 HydrophobicContact CG-CD2 4.03Å; R21-Y28 PolarHBondContact N-O 3.13Å; R21-Y28 WeakPolarHBondContact O-CA 3.31Å; R21-Y28 WeakPolarHBondContact O-CB 3.34Å; R21-Y28 PolarHBondContact O-N 3.33Å; E23-Y28 HydrophobicContact CB-CE2 4.46Å; Y28-K33 WeakPolarHBondContact CA-O 3.36Å; Y28-R34 HydrophobicContact CD1-CB 4.09Å; Y28-R34 HydrophobicContact CD1-CG 4.39Å; Y28-R34 HydrophobicContact CE1-CB 3.79Å; Y28-R34 HydrophobicContact CE1-CG 3.8Å
29D97.6Very high97.6Very high11 Ų1153.9 Ų53.96%0.05927%0.265CS..EExtended strand (participates in β ladder)trans-78.7177.6175.4776000112.5L17 M18 V20 N31 G32 K33 Y35L17-D29 HydrophobicContact CD1-CB 4.16Å; M18-D29 WeakPolarHBondContact O-CA 3.34Å; V20-D29 WeakPolarHBondContact CG2-O 3.48Å; D29-N31 PolarHBondContact O-N 3.28Å; D29-N31 VanDerWaalsContact O-N 3.14Å; D29-N31 WeakPolarHBondContact OD1-CA 3.4Å; D29-N31 WeakPolarHBondContact OD1-CB 3.21Å; D29-N31 PolarHBondContact OD1-N 3.22Å; D29-G32 PolarHBondContact O-N 3.44Å; D29-G32 PolarHBondContact OD1-N 3.1Å; D29-G32 VanDerWaalsContact OD1-N 3.13Å; D29-K33 PolarHBondContact N-O 3.45Å; D29-K33 VanDerWaalsContact N-O 3.09Å; D29-K33 VanDerWaalsContact OD1-CB 3.27Å; D29-K33 WeakPolarHBondContact OD1-CB 3.41Å; D29-K33 PolarHBondContact OD1-N 3.26Å; D29-K33 WeakPolarHBondContact OD2-CB 3.3Å; D29-Y35 HydrophobicContact CB-CE2 3.97Å
30E96.6Very high97.4Very high104 Ų10451.4 Ų51.449%0.48625%0.254SS..THydrogen-bonded Turntrans-61.2-18179.474.2-75.2179.100114.4M18 V20M18-E30 WeakPolarHBondContact CB-OE2 3.37Å; M18-E30 PolarHBondContact O-N 3.4Å; M18-E30 HydrophobicContact SD-CB 4.21Å; M18-E30 HydrophobicContact SD-CG 4.49Å; V20-E30 HydrophobicContact CG1-CB 4.07Å
31N96.9Very high97.1Very high130 Ų13047.5 Ų47.570%0.69523%0.23SC*.THydrogen-bonded Turntrans-97.46.3176.6-55.8-67.6000112.2D29 K33D29-N31 PolarHBondContact O-N 3.28Å; D29-N31 VanDerWaalsContact O-N 3.14Å; D29-N31 WeakPolarHBondContact OD1-CA 3.4Å; D29-N31 WeakPolarHBondContact OD1-CB 3.21Å; D29-N31 PolarHBondContact OD1-N 3.22Å; N31-K33 VanDerWaalsContact C-N 3.27Å; N31-K33 PolarHBondContact O-N 2.87Å
32G97.2Very high97.1Very high52 Ų5243.5 Ų43.554%0.53622%0.22SC..  trans76.210.3-177.900000114.1D29 R34D29-G32 PolarHBondContact O-N 3.44Å; D29-G32 PolarHBondContact OD1-N 3.1Å; D29-G32 VanDerWaalsContact OD1-N 3.13Å; G32-R34 PolarHBondContact O-N 3.11Å
33K97.8Very high97.1Very high85 Ų8545.2 Ų45.237%0.3723%0.225SC..  trans-73.9125.8179.7-170.3171.5177.51730109.9Y28 D29 N31 Y35 Q392Y28-K33 WeakPolarHBondContact CA-O 3.36Å; D29-K33 PolarHBondContact N-O 3.45Å; D29-K33 VanDerWaalsContact N-O 3.09Å; D29-K33 VanDerWaalsContact OD1-CB 3.27Å; D29-K33 WeakPolarHBondContact OD1-CB 3.41Å; D29-K33 PolarHBondContact OD1-N 3.26Å; D29-K33 WeakPolarHBondContact OD2-CB 3.3Å; N31-K33 VanDerWaalsContact C-N 3.27Å; N31-K33 PolarHBondContact O-N 2.87Å; K33-Y35 HydrophobicContact CB-CE2 4.03Å; K33-Y35 HydrophobicContact CD-CE2 4.26Å; K33-Y35 HydrophobicContact CG-CE2 3.98Å; K33-Y35 VanDerWaalsContact O-CD2 3.25Å; K33-Y35 WeakPolarHBondContact O-CD2 3.49Å; K33-Y35 WeakPolarHBondContact O-CE2 3.4Å; K33-Q392 HydrophobicContact CD-CG 4.26Å; K33-Q392 VanDerWaalsContact CE-OE1 3.27Å; K33-Q392 HydrophobicContact CG-CG 4.19Å
34R97.8Very high97.1Very high90 Ų9041.3 Ų41.334%0.3421%0.207SC..EExtended strand (participates in β ladder)trans-78.3134.9179.5-170.2-168.276.6156.86.1111.2Y26 L27 Y28 G32 Q392 E420Y26-R34 VanDerWaalsContact CD1-CD 3.47Å; Y26-R34 HydrophobicContact CD1-CG 3.67Å; Y26-R34 HydrophobicContact CE1-CG 4.42Å; Y26-R34 HydrophobicContact CG-CG 3.96Å; Y26-R34 PolarHBondContact OH-NH1 3.17Å; L27-R34 CarbonylContact O-C 3.53Å; L27-R34 WeakPolarHBondContact O-CA 3.26Å; Y28-R34 HydrophobicContact CD1-CB 4.09Å; Y28-R34 HydrophobicContact CD1-CG 4.39Å; Y28-R34 HydrophobicContact CE1-CB 3.79Å; Y28-R34 HydrophobicContact CE1-CG 3.8Å; G32-R34 PolarHBondContact O-N 3.11Å; R34-Q392 WeakPolarHBondContact O-CB 3.44Å; R34-Q392 PolarHBondContact O-NE2 3.47Å; R34-E420 IonicContact CZ-OE1 2.88Å; R34-E420 IonicContact NH2-OE1 3.41Å; R34-E420 PolarHBondContact NH2-OE1 3.25Å; R34-E420 IonicContact NH2-OE2 2.86Å
35Y98Very high97.1Very high14 Ų1435.7 Ų35.76%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-121.2136.1171.2-66.7-101.8000110L17 Y26 L27 D29 K33 Q392L17-Y35 HydrophobicContact CD1-CD1 4.47Å; L17-Y35 HydrophobicContact CD1-CD2 4.22Å; L17-Y35 HydrophobicContact CD1-CE1 3.93Å; L17-Y35 HydrophobicContact CD1-CE2 3.68Å; L17-Y35 HydrophobicContact CD2-CD1 4Å; L17-Y35 HydrophobicContact CD2-CD2 4.25Å; L17-Y35 HydrophobicContact CD2-CE1 4.22Å; L17-Y35 HydrophobicContact CD2-CE2 4.49Å; L17-Y35 HydrophobicContact CD2-CG 4.03Å; Y26-Y35 CarbonylContact C-O 3.56Å; Y26-Y35 VanDerWaalsContact CA-O 3.29Å; Y26-Y35 WeakPolarHBondContact CA-O 3.31Å; L27-Y35 PolarHBondContact N-O 3.12Å; L27-Y35 PolarHBondContact O-N 3.06Å; D29-Y35 HydrophobicContact CB-CE2 3.97Å; K33-Y35 HydrophobicContact CB-CE2 4.03Å; K33-Y35 HydrophobicContact CD-CE2 4.26Å; K33-Y35 HydrophobicContact CG-CE2 3.98Å; K33-Y35 VanDerWaalsContact O-CD2 3.25Å; K33-Y35 WeakPolarHBondContact O-CD2 3.49Å; K33-Y35 WeakPolarHBondContact O-CE2 3.4Å; Y35-Q392 CarbonylContact C-O 3.58Å; Y35-Q392 VanDerWaalsContact CA-O 3.25Å; Y35-Q392 WeakPolarHBondContact CA-O 3.34Å; Y35-Q392 HydrophobicContact CD1-CB 4.08Å; Y35-Q392 HydrophobicContact CD1-CG 4.27Å; Y35-Q392 HydrophobicContact CE1-CB 4.37Å; Y35-Q392 HydrophobicContact CE1-CG 4.1Å; Y35-Q392 HydrophobicContact CG-CB 4.46Å
36L98.2Very high97.1Very high0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans-82121.4171.7-179.665.6000109.4Q25 Y26 Q392 V393 C394 F413 N417 E420 V421Q25-L36 HydrophobicContact CB-CD1 4.36Å; Q25-L36 HydrophobicContact CG-CD1 3.73Å; Y26-L36 HydrophobicContact CD1-CB 4.47Å; Y26-L36 HydrophobicContact CD1-CD1 4.07Å; Y26-L36 HydrophobicContact CE1-CB 4.33Å; Y26-L36 HydrophobicContact CE1-CD1 3.6Å; L36-Q392 PolarHBondContact N-O 3.33Å; L36-V393 HydrophobicContact CB-CG2 4.48Å; L36-C394 WeakPolarHBondContact O-CB 3.42Å; L36-C394 PolarHBondContact O-N 2.91Å; L36-F413 HydrophobicContact CD1-CD2 4.4Å; L36-F413 HydrophobicContact CD1-CE2 3.65Å; L36-F413 HydrophobicContact CD1-CZ 4.29Å; L36-F413 HydrophobicContact CD2-CE2 4.12Å; L36-F413 HydrophobicContact CD2-CZ 3.95Å; L36-F413 HydrophobicContact CG-CE2 3.94Å; L36-F413 HydrophobicContact CG-CZ 4.29Å; L36-N417 HydrophobicContact CD1-CB 4.1Å; L36-N417 HydrophobicContact CD2-CB 4.17Å; L36-E420 HydrophobicContact CD2-CB 4.29Å; L36-E420 HydrophobicContact CD2-CG 4.17Å; L36-V421 HydrophobicContact CD2-CG2 3.77Å
37D97.9Very high97.1Very high6 Ų634 Ų343%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-87.5111.7178.3-173.9-4.2000111.4Q25 L27 I39 S40 H47 P410Q25-D37 PolarHBondContact O-N 2.98Å; L27-D37 HydrophobicContact CD1-CB 4.13Å; L27-D37 HydrophobicContact CG-CB 4.12Å; D37-I39 WeakPolarHBondContact OD1-CG1 3.25Å; D37-I39 PolarHBondContact OD1-N 2.89Å; D37-S40 PolarHBondContact OD1-N 3.11Å; D37-S40 WeakPolarHBondContact OD2-CB 3.38Å; D37-H47 IonicContact OD2-CD2 3.41Å; D37-H47 IonicContact OD2-CE1 3.91Å; D37-H47 PolarHBondContact OD2-CE1 2.88Å; D37-H47 IonicContact OD2-NE2 3.79Å; D37-H47 PolarHBondContact OD2-NE2 3.14Å; D37-P410 WeakPolarHBondContact O-CD 3.4Å
38C97.6Very high97.1Very high0 Ų037 Ų370%020%0.199CC..SBendtrans-104.44.4177.2-59.70000113.3C394 I395 F407 K408 V421C38-C394 VanDerWaalsContact CB-O 3.27Å; C38-C394 WeakPolarHBondContact CB-O 3.41Å; C38-C394 PolarHBondContact N-O 3.18Å; C38-I395 HydrophobicContact CB-CG2 3.8Å; C38-F407 HydrophobicContact CB-CD1 3.98Å; C38-F407 HydrophobicContact CB-CE1 4.27Å; C38-F407 CarbonylContact O-C 3.53Å; C38-F407 WeakPolarHBondContact O-CA 3.03Å; C38-K408 CarbonylContact O-C 3.57Å; C38-K408 PolarHBondContact O-N 3.22Å; C38-V421 VanDerWaalsContact SG-CG2 3.54Å
39I94.7Very high97.1Very high21 Ų2135.8 Ų35.811%0.10820%0.195CC..SBendtrans-130.6-13.1-167.558.7171.4000115.3F11 D37 N41 K406 K408F11-I39 HydrophobicContact CD1-CD1 4.11Å; F11-I39 HydrophobicContact CE1-CD1 3.73Å; F11-I39 HydrophobicContact CE2-CD1 4.35Å; F11-I39 HydrophobicContact CZ-CD1 3.86Å; D37-I39 WeakPolarHBondContact OD1-CG1 3.25Å; D37-I39 PolarHBondContact OD1-N 2.89Å; I39-N41 PolarHBondContact O-N 2.93Å; I39-K406 HydrophobicContact CG2-CG 4.43Å; I39-K408 CarbonylContact C-O 2.89Å; I39-K408 VanDerWaalsContact C-O 3.22Å
40S92.8Very high97.1Very high14 Ų1439.3 Ų39.310%0.09822%0.218CC..  trans-77104.9177.6-172.90000113D37 V42 Q43 K408 P409D37-S40 PolarHBondContact OD1-N 3.11Å; D37-S40 WeakPolarHBondContact OD2-CB 3.38Å; S40-V42 VanDerWaalsContact C-N 3.29Å; S40-V42 PolarHBondContact OG-N 3.03Å; S40-Q43 PolarHBondContact OG-N 3.49Å; S40-Q43 VanDerWaalsContact OG-N 3.1Å; S40-Q43 PolarHBondContact OG-OE1 3.48Å; S40-K408 CarbonylContact C-O 3.47Å; S40-K408 PolarHBondContact N-O 3.43Å; S40-P409 CarbonylContact O-C 3.42Å
41N90.4Very high97.2Very high13 Ų1338.1 Ų38.17%0.0722%0.215CC..SBendtrans-87.85.6163.159.95.4000113.4I39 Q245 P275 K408I39-N41 PolarHBondContact O-N 2.93Å; N41-Q245 WeakPolarHBondContact ND2-CG 3.49Å; N41-Q245 PolarHBondContact ND2-OE1 3.23Å; N41-P275 WeakPolarHBondContact O-CD 3.47Å; N41-K408 HydrophobicContact CB-CB 4.21Å; N41-K408 PolarHBondContact N-O 3.41Å
42V97.3Very high97.3Very high44 Ų4432.2 Ų32.227%0.26718%0.184SC..SBendtrans-93.9-48178.4-177.50000110.5S40 H44 K274 N278S40-V42 VanDerWaalsContact C-N 3.29Å; S40-V42 PolarHBondContact OG-N 3.03Å; V42-H44 PolarHBondContact O-N 2.86Å; V42-K274 HydrophobicContact CG2-CB 4.11Å; V42-K274 HydrophobicContact CG2-CD 4.18Å; V42-K274 HydrophobicContact CG2-CG 3.97Å; V42-N278 CarbonylContact O-C 3.56Å; V42-N278 WeakPolarHBondContact O-CA 3.2Å
43Q98Very high97.3Very high47 Ų4731.6 Ų31.622%0.2218%0.177CC..SBendtrans-82.360.9174.4-71.780.129.300110.3S40 V45 G46 H47 N278 P410S40-Q43 PolarHBondContact OG-N 3.49Å; S40-Q43 VanDerWaalsContact OG-N 3.1Å; S40-Q43 PolarHBondContact OG-OE1 3.48Å; Q43-V45 PolarHBondContact O-N 3.08Å; Q43-G46 PolarHBondContact O-N 2.84Å; Q43-H47 WeakPolarHBondContact CB-ND1 3.45Å; Q43-H47 WeakPolarHBondContact CG-ND1 3.42Å; Q43-H47 PolarHBondContact OE1-CE1 2.79Å; Q43-H47 VanDerWaalsContact OE1-CE1 3.29Å; Q43-N278 VanDerWaalsContact CA-OD1 3.24Å; Q43-N278 WeakPolarHBondContact CA-OD1 3.48Å; Q43-P410 VanDerWaalsContact O-CB 3.31Å; Q43-P410 WeakPolarHBondContact O-CB 3.42Å; Q43-P410 WeakPolarHBondContact O-CG 3.25Å
44H98.3Very high97.4Very high0 Ų033.1 Ų33.10%019%0.186CC..THydrogen-bonded Turntrans-60-42.4-170.1-171.674.3000113.9V42 G46 F248 R250 P275 N278 M411V42-H44 PolarHBondContact O-N 2.86Å; H44-G46 VanDerWaalsContact C-N 3.26Å; H44-G46 PolarHBondContact O-N 3.16Å; H44-F248 WeakPolarHBondContact NE2-CB 3.37Å; H44-F248 PolarHBondContact NE2-O 2.99Å; H44-R250 PolarHBondContact ND1-NH2 3.43Å; H44-P275 HydrophobicContact CB-CB 3.63Å; H44-P275 HydrophobicContact CB-CG 4.11Å; H44-N278 PolarHBondContact N-OD1 3.15Å; H44-M411 WeakPolarHBondContact CE1-CG 3.4Å; H44-M411 PolarHBondContact CE1-SD 3.27Å; H44-M411 WeakPolarHBondContact ND1-CG 3.04Å; H44-M411 WeakPolarHBondContact NE2-CG 3.28Å; H44-M411 WeakPolarHBondContact O-CA 3.49Å; H44-M411 WeakPolarHBondContact O-CB 3.39Å; H44-M411 WeakPolarHBondContact O-CG 3.49Å; H44-M411 PolarHBondContact O-N 2.86Å
45V98.5Very high97.4Very high1 Ų130 Ų301%0.00618%0.179CC..THydrogen-bonded Turntrans-92.318.7175.5-57.90000112.8Q43 H49 V52 N278 V318 V321 L322 L327Q43-V45 PolarHBondContact O-N 3.08Å; V45-H49 HydrophobicContact CG2-CB 4.05Å; V45-H49 PolarHBondContact O-CD2 3.1Å; V45-H49 VanDerWaalsContact O-CD2 3.23Å; V45-V52 HydrophobicContact CG2-CG2 4.09Å; V45-N278 HydrophobicContact CG2-CB 3.93Å; V45-N278 WeakPolarHBondContact CG2-OD1 3.32Å; V45-N278 PolarHBondContact N-OD1 2.75Å; V45-V318 HydrophobicContact CG1-CG1 4.01Å; V45-V318 HydrophobicContact CG2-CG2 4.41Å; V45-V321 HydrophobicContact CB-CB 4.38Å; V45-V321 HydrophobicContact CB-CG1 3.68Å; V45-V321 HydrophobicContact CG1-CB 4.32Å; V45-V321 HydrophobicContact CG1-CG1 3.97Å; V45-V321 HydrophobicContact CG2-CB 4.45Å; V45-V321 HydrophobicContact CG2-CG1 4.06Å; V45-L322 HydrophobicContact CG1-CD2 3.86Å; V45-L322 HydrophobicContact CG1-CG 3.84Å; V45-L327 HydrophobicContact CB-CD1 3.74Å; V45-L327 HydrophobicContact CG1-CD1 3.63Å
46G98.3Very high97.4Very high0 Ų030.9 Ų30.90%018%0.184CC..  trans96.3149-17500000112.9K24 Q43 H44 N278K24-G46 CarbonylContact O-C 3.52Å; K24-G46 VanDerWaalsContact O-CA 3.32Å; K24-G46 WeakPolarHBondContact O-CA 3.33Å; Q43-G46 PolarHBondContact O-N 2.84Å; H44-G46 VanDerWaalsContact C-N 3.26Å; H44-G46 PolarHBondContact O-N 3.16Å; G46-N278 PolarHBondContact O-ND2 2.96Å; G46-N278 PolarHBondContact O-OD1 2.75Å
47H98.5Very high97.4Very high13 Ų1335.8 Ų35.86%0.0621%0.21CC..BIsolated β-bridgetrans-59.7136.8176.2-69.6-73.7000111.7A22 E23 K24 L27 D37 Q43 H49A22-H47 HydrophobicContact CB-CB 3.46Å; A22-H47 VanDerWaalsContact CB-CB 3.46Å; E23-H47 WeakPolarHBondContact CA-O 3.2Å; K24-H47 PolarHBondContact N-O 3.08Å; K24-H47 WeakPolarHBondContact O-CB 3.24Å; K24-H47 PolarHBondContact O-CD2 3.33Å; K24-H47 PolarHBondContact O-N 3.1Å; L27-H47 VanDerWaalsContact CD2-CE1 3.42Å; L27-H47 WeakPolarHBondContact CD2-CE1 3.28Å; L27-H47 WeakPolarHBondContact CD2-NE2 3.43Å; D37-H47 IonicContact OD2-CD2 3.41Å; D37-H47 IonicContact OD2-CE1 3.91Å; D37-H47 PolarHBondContact OD2-CE1 2.88Å; D37-H47 IonicContact OD2-NE2 3.79Å; D37-H47 PolarHBondContact OD2-NE2 3.14Å; Q43-H47 WeakPolarHBondContact CB-ND1 3.45Å; Q43-H47 WeakPolarHBondContact CG-ND1 3.42Å; Q43-H47 PolarHBondContact OE1-CE1 2.79Å; Q43-H47 VanDerWaalsContact OE1-CE1 3.29Å; H47-H49 PolarHBondContact O-N 3.4Å
48S97.6Very high97.5Very high86 Ų8642.7 Ų42.760%0.60124%0.24SC*.THydrogen-bonded Turntrans5238173.5-46.10000113.9A22 P50A22-S48 WeakPolarHBondContact O-CB 3.42Å; A22-S48 PolarHBondContact O-OG 2.99Å; S48-P50 WeakPolarHBondContact O-CD 3.46Å
49H98.4Very high97.5Very high21 Ų2143.4 Ų43.410%0.09724%0.243CC..  trans-56.3119.9-175.2-165-78.5000111.7V45 H47 L51 V52 G53 V321 E325V45-H49 HydrophobicContact CG2-CB 4.05Å; V45-H49 PolarHBondContact O-CD2 3.1Å; V45-H49 VanDerWaalsContact O-CD2 3.23Å; H47-H49 PolarHBondContact O-N 3.4Å; H49-L51 VanDerWaalsContact C-N 3.33Å; H49-L51 PolarHBondContact ND1-N 3.44Å; H49-L51 PolarHBondContact O-N 3.21Å; H49-V52 HydrophobicContact CB-CB 4.32Å; H49-V52 HydrophobicContact CB-CG2 4.01Å; H49-V52 PolarHBondContact O-N 3.43Å; H49-G53 PolarHBondContact O-N 3.48Å; H49-V321 VanDerWaalsContact CE1-CG2 3.43Å; H49-V321 WeakPolarHBondContact CE1-CG2 3.47Å; H49-E325 IonicContact CE1-OE1 3.38Å; H49-E325 PolarHBondContact CE1-OE1 3.02Å; H49-E325 IonicContact NE2-OE1 2.78Å; H49-E325 PolarHBondContact NE2-OE1 3.18Å; H49-E325 IonicContact NE2-OE2 3Å
50P98.3Very high97.6Very high84 Ų8445.5 Ų45.555%0.54526%0.257SS..Hα-helixtrans-56.7-41.9-171-2935.4000114.1S48 V52 G53 Q54S48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-V52 VanDerWaalsContact C-N 3.32Å; P50-V52 PolarHBondContact O-N 3.21Å; P50-G53 PolarHBondContact O-N 2.87Å; P50-Q54 WeakPolarHBondContact O-CB 3.2Å; P50-Q54 WeakPolarHBondContact O-CG 3.36Å; P50-Q54 PolarHBondContact O-N 2.89Å
51L98.4Very high97.9Very high80 Ų8051.5 Ų51.542%0.41929%0.287SS..Hα-helixtrans-65.6-33.3179.9-63.1-179.1000113H49 A55 V321H49-L51 VanDerWaalsContact C-N 3.33Å; H49-L51 PolarHBondContact ND1-N 3.44Å; H49-L51 PolarHBondContact O-N 3.21Å; L51-A55 WeakPolarHBondContact O-CB 3.36Å; L51-A55 PolarHBondContact O-N 3.22Å; L51-A55 VanDerWaalsContact O-N 3.1Å; L51-V321 HydrophobicContact CB-CG2 3.99Å; L51-V321 HydrophobicContact CD1-CG2 4.05Å
52V98.7Very high98.2Very high6 Ų656.6 Ų56.64%0.03631%0.314CS..Hα-helixtrans-72.3-46.2176.7-1790000109.6V45 H49 P50 Q54 A55 I56 A314 A317 V318 V321V45-V52 HydrophobicContact CG2-CG2 4.09Å; H49-V52 HydrophobicContact CB-CB 4.32Å; H49-V52 HydrophobicContact CB-CG2 4.01Å; H49-V52 PolarHBondContact O-N 3.43Å; P50-V52 VanDerWaalsContact C-N 3.32Å; P50-V52 PolarHBondContact O-N 3.21Å; V52-Q54 PolarHBondContact O-N 3.04Å; V52-A55 PolarHBondContact O-N 3.35Å; V52-I56 HydrophobicContact CG1-CD1 3.98Å; V52-I56 WeakPolarHBondContact O-CG1 3.32Å; V52-I56 PolarHBondContact O-N 3.4Å; V52-A314 HydrophobicContact CG1-CB 4.43Å; V52-A317 HydrophobicContact CB-CB 4.48Å; V52-A317 HydrophobicContact CG2-CB 4.19Å; V52-V318 HydrophobicContact CG1-CG2 4.46Å; V52-V318 HydrophobicContact CG2-CG2 3.98Å; V52-V321 HydrophobicContact CG2-CG2 4.5Å
53G98.4Very high98.1Very high39 Ų3957 Ų5740%0.40232%0.316SS..Hα-helixtrans-60.5-41.6176.600000113.1H49 P50 I56 L57H49-G53 PolarHBondContact O-N 3.48Å; P50-G53 PolarHBondContact O-N 2.87Å; G53-I56 PolarHBondContact O-N 3.47Å; G53-L57 WeakPolarHBondContact O-CB 3.47Å; G53-L57 PolarHBondContact O-N 2.96Å
54Q98.6Very high97.8Very high117 Ų11759.4 Ų59.455%0.54733%0.334SS..Hα-helixtrans-65.1-40.8175.9-73.7170.210.800112.3P50 V52 L57 K58P50-Q54 WeakPolarHBondContact O-CB 3.2Å; P50-Q54 WeakPolarHBondContact O-CG 3.36Å; P50-Q54 PolarHBondContact O-N 2.89Å; V52-Q54 PolarHBondContact O-N 3.04Å; Q54-L57 PolarHBondContact O-N 3.37Å; Q54-K58 WeakPolarHBondContact O-CB 3.49Å; Q54-K58 PolarHBondContact O-N 3.21Å
55A98.7Very high97.4Very high24 Ų2460.9 Ų60.920%0.19835%0.345CS..Hα-helixtrans-63.3-42.6176.700000111.8L51 V52 Q59 A317L51-A55 WeakPolarHBondContact O-CB 3.36Å; L51-A55 PolarHBondContact O-N 3.22Å; L51-A55 VanDerWaalsContact O-N 3.1Å; V52-A55 PolarHBondContact O-N 3.35Å; A55-Q59 WeakPolarHBondContact O-CB 3.5Å; A55-Q59 PolarHBondContact O-N 2.98Å; A55-A317 HydrophobicContact CB-CB 3.6Å
56I98.5Very high96.9Very high32 Ų3262.6 Ų62.616%0.16435%0.354CS..Hα-helixtrans-59.5-56.6173.9-69.5162.3000110V52 G53 K58 Q59 T60 Y280 V310 A314V52-I56 HydrophobicContact CG1-CD1 3.98Å; V52-I56 WeakPolarHBondContact O-CG1 3.32Å; V52-I56 PolarHBondContact O-N 3.4Å; G53-I56 PolarHBondContact O-N 3.47Å; I56-K58 PolarHBondContact O-N 3.43Å; I56-Q59 PolarHBondContact O-N 2.93Å; I56-T60 WeakPolarHBondContact O-CB 3.44Å; I56-T60 PolarHBondContact O-N 3.24Å; I56-T60 PolarHBondContact O-OG1 3.31Å; I56-T60 VanDerWaalsContact O-OG1 3.05Å; I56-Y280 HydrophobicContact CD1-CD2 3.6Å; I56-Y280 HydrophobicContact CD1-CE2 4.23Å; I56-Y280 HydrophobicContact CD1-CG 3.9Å; I56-Y280 HydrophobicContact CG1-CD2 4.26Å; I56-Y280 HydrophobicContact CG1-CE2 4.5Å; I56-Y280 HydrophobicContact CG1-CG 4.48Å; I56-Y280 HydrophobicContact CG2-CD2 4.44Å; I56-Y280 HydrophobicContact CG2-CE2 3.98Å; I56-V310 HydrophobicContact CB-CG1 4.38Å; I56-V310 HydrophobicContact CG2-CG1 3.79Å; I56-A314 HydrophobicContact CD1-CB 3.9Å; I56-A314 HydrophobicContact CG1-CB 3.67Å
57L98.5Very high96.3Very high104 Ų10464 Ų6455%0.54536%0.361SS..Hα-helixtrans-56.4-49.1-178.2175.762.4000111.8G53 Q54 Q59 T60 L61G53-L57 WeakPolarHBondContact O-CB 3.47Å; G53-L57 PolarHBondContact O-N 2.96Å; Q54-L57 PolarHBondContact O-N 3.37Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.84Å; L57-T60 PolarHBondContact O-N 3.02Å; L57-L61 HydrophobicContact CD1-CD1 4.02Å; L57-L61 HydrophobicContact CD1-CG 4.23Å; L57-L61 HydrophobicContact CG-CD1 4.16Å; L57-L61 WeakPolarHBondContact O-CG 3.17Å; L57-L61 PolarHBondContact O-N 2.71Å
58K98.5Very high95.8Very high150 Ų15071.7 Ų71.765%0.65239%0.39SS*.Hα-helixtrans-57.4-46.9179-179-178.8177.7-178.90110.9Q54 I56 L61 L62Q54-K58 WeakPolarHBondContact O-CB 3.49Å; Q54-K58 PolarHBondContact O-N 3.21Å; I56-K58 PolarHBondContact O-N 3.43Å; K58-L61 PolarHBondContact O-N 3.41Å; K58-L62 HydrophobicContact CG-CD1 4.2Å; K58-L62 VanDerWaalsContact O-CG 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.48Å; K58-L62 PolarHBondContact O-N 3.07Å
59Q98.2Very high95.5Very high16 Ų1674 Ų748%0.07539%0.389CS..Hα-helixtrans-69.5-39.7-178.7-175.355.95200112.1A55 I56 L57 L61 L62 T63 L73 P309 V310 A313A55-Q59 WeakPolarHBondContact O-CB 3.5Å; A55-Q59 PolarHBondContact O-N 2.98Å; I56-Q59 PolarHBondContact O-N 2.93Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.84Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 3.45Å; Q59-L62 PolarHBondContact O-N 3.04Å; Q59-L62 VanDerWaalsContact O-N 3.07Å; Q59-T63 PolarHBondContact NE2-O 3.48Å; Q59-T63 PolarHBondContact O-N 3.49Å; Q59-L73 HydrophobicContact CG-CD1 4.13Å; Q59-P309 HydrophobicContact CG-CB 3.99Å; Q59-V310 HydrophobicContact CB-CG2 4.48Å; Q59-V310 HydrophobicContact CG-CB 4.42Å; Q59-V310 HydrophobicContact CG-CG2 4.01Å; Q59-A313 HydrophobicContact CB-CB 3.71Å; Q59-A313 HydrophobicContact CG-CB 3.96Å
60T97.8Very high95.1Very high65 Ų6580.9 Ų80.940%0.39943%0.426SS..Hα-helixtrans-58.6-39.5175.5-62.70000112.1I56 L57 L62 T64I56-T60 WeakPolarHBondContact O-CB 3.44Å; I56-T60 PolarHBondContact O-N 3.24Å; I56-T60 PolarHBondContact O-OG1 3.31Å; I56-T60 VanDerWaalsContact O-OG1 3.05Å; L57-T60 PolarHBondContact O-N 3.02Å; T60-L62 VanDerWaalsContact C-N 3.3Å; T60-L62 PolarHBondContact O-N 3.17Å; T60-T64 HydrophobicContact CG2-CG2 4.32Å
61L97.9Very high94.9Very high139 Ų13978.7 Ų78.773%0.72841%0.408SS*.Hα-helixtrans-72.5-22.2177-68.5173000113.4L57 K58 Q59L57-L61 HydrophobicContact CD1-CD1 4.02Å; L57-L61 HydrophobicContact CD1-CG 4.23Å; L57-L61 HydrophobicContact CG-CD1 4.16Å; L57-L61 WeakPolarHBondContact O-CG 3.17Å; L57-L61 PolarHBondContact O-N 2.71Å; K58-L61 PolarHBondContact O-N 3.41Å; Q59-L61 VanDerWaalsContact C-N 3.28Å; Q59-L61 PolarHBondContact O-N 3.45Å
62L96.9Very high94.8Very high121 Ų12178.9 Ų78.963%0.63441%0.414SS*.Hα-helixtrans-86.8-56.1178.5-71.4172.1000111.9K58 Q59 T60K58-L62 HydrophobicContact CG-CD1 4.2Å; K58-L62 VanDerWaalsContact O-CG 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.48Å; K58-L62 PolarHBondContact O-N 3.07Å; Q59-L62 PolarHBondContact O-N 3.04Å; Q59-L62 VanDerWaalsContact O-N 3.07Å; T60-L62 VanDerWaalsContact C-N 3.3Å; T60-L62 PolarHBondContact O-N 3.17Å
63T94.2Very high94.7Very high51 Ų5179.9 Ų79.931%0.31342%0.419SS..  trans-164.1142.3178.1179.40000112.5Q59Q59-T63 PolarHBondContact NE2-O 3.48Å; Q59-T63 PolarHBondContact O-N 3.49Å
64T92.5Very high94.6Very high98 Ų9879.4 Ų79.460%0.60141%0.407SS*.  trans-122.3120.2166.162.30000108.6T60 V310T60-T64 HydrophobicContact CG2-CG2 4.32Å; T64-V310 HydrophobicContact CG2-CG2 4.04Å
65C89.8Confident94.4Very high32 Ų3277.7 Ų77.722%0.21640%0.404CS..  trans-147.1160.2174.962.20000110.6F69 N308 P309C65-F69 HydrophobicContact CB-CB 4.23Å; C65-F69 HydrophobicContact CB-CD2 4.04Å; C65-F69 HydrophobicContact CB-CG 4.45Å; C65-N308 WeakPolarHBondContact O-CB 3.46Å; C65-P309 VanDerWaalsContact O-CD 3.31Å; C65-P309 WeakPolarHBondContact O-CD 3.33Å; C65-P309 VanDerWaalsContact SG-CG 3.54Å
66N89.2Confident94.4Very high37 Ų3780.1 Ų80.120%0.19841%0.414CS..  trans-75.2163.6169.267.768.6000110.7R68 F69 T304N66-R68 PolarHBondContact O-N 2.88Å; N66-R68 VanDerWaalsContact O-N 3.12Å; N66-R68 VanDerWaalsContact OD1-CB 3.28Å; N66-R68 WeakPolarHBondContact OD1-CB 3.46Å; N66-R68 PolarHBondContact OD1-N 3.42Å; N66-F69 PolarHBondContact O-N 2.97Å; N66-F69 VanDerWaalsContact O-N 3.17Å; N66-T304 WeakPolarHBondContact CB-O 3.36Å
67N84Confident94.4Very high30 Ų3078.6 Ų78.616%0.1641%0.406CS..THydrogen-bonded Turntrans-69.2-4.3-173.967.8-0.5000116F69 M74 F302 N303 G306N67-F69 VanDerWaalsContact C-N 3.28Å; N67-M74 HydrophobicContact CB-CE 3.73Å; N67-F302 WeakPolarHBondContact OD1-CD2 3.14Å; N67-F302 WeakPolarHBondContact OD1-CE2 3.3Å; N67-N303 PolarHBondContact ND2-O 2.91Å; N67-N303 PolarHBondContact OD1-O 2.86Å; N67-G306 VanDerWaalsContact CB-O 3.26Å; N67-G306 WeakPolarHBondContact CB-O 3.25Å; N67-G306 PolarHBondContact ND2-O 3.1Å
68R89.8Confident94.3Very high173 Ų17374.4 Ų74.465%0.65339%0.386SS*.THydrogen-bonded Turntrans-73.2-24.9170.6-67.3-178.9-70.5-162.7-2.8111.9N66 F302N66-R68 PolarHBondContact O-N 2.88Å; N66-R68 VanDerWaalsContact O-N 3.12Å; N66-R68 VanDerWaalsContact OD1-CB 3.28Å; N66-R68 WeakPolarHBondContact OD1-CB 3.46Å; N66-R68 PolarHBondContact OD1-N 3.42Å; R68-F302 HydrophobicContact CG-CD2 3.71Å; R68-F302 HydrophobicContact CG-CE2 3.61Å
69F90.1Very high94.3Very high135 Ų13573 Ų7359%0.59238%0.382SS*.SBendtrans-82.9118.2166.3-65.9-77.1000108.6C65 N66 N67 H71C65-F69 HydrophobicContact CB-CB 4.23Å; C65-F69 HydrophobicContact CB-CD2 4.04Å; C65-F69 HydrophobicContact CB-CG 4.45Å; N66-F69 PolarHBondContact O-N 2.97Å; N66-F69 VanDerWaalsContact O-N 3.17Å; N67-F69 VanDerWaalsContact C-N 3.28Å; F69-H71 PolarHBondContact O-N 3.02Å
70L90.5Very high94.3Very high165 Ų16574.9 Ų74.986%0.86439%0.388SS*.  trans-61.4132.4175.9-61.6179.6000110
71H94.7Very high94.3Very high39 Ų3971.8 Ų71.818%0.18137%0.369CS..  trans-136.2136.7174.7-168.3-88.8000110.5F69 L73 M74 P309F69-H71 PolarHBondContact O-N 3.02Å; H71-L73 PolarHBondContact ND1-N 2.92Å; H71-L73 PolarHBondContact O-N 2.74Å; H71-L73 VanDerWaalsContact O-N 3.11Å; H71-M74 HydrophobicContact CB-CG 4.49Å; H71-M74 HydrophobicContact CB-SD 4.38Å; H71-M74 WeakPolarHBondContact O-CB 3.43Å; H71-M74 PolarHBondContact O-N 3.17Å; H71-M74 VanDerWaalsContact O-N 3.08Å; H71-P309 HydrophobicContact CB-CG 3.78Å
72P95.8Very high94.2Very high84 Ų8466.6 Ų66.655%0.54535%0.346SS..Hα-helixtrans-55.3-35.6-174.9-28.535.1000114.6M74 T75 I76P72-M74 PolarHBondContact O-N 3.43Å; P72-T75 PolarHBondContact O-N 2.77Å; P72-T75 VanDerWaalsContact O-N 3.11Å; P72-I76 HydrophobicContact CB-CD1 4.01Å; P72-I76 VanDerWaalsContact O-CG1 3.3Å; P72-I76 WeakPolarHBondContact O-CG1 3.32Å; P72-I76 PolarHBondContact O-N 3.23Å
73L97.1Very high94.2Very high26 Ų2668.9 Ų68.914%0.13635%0.351CS..Hα-helixtrans-58.9-28.9-179.6-70.4178.6000113.9Q59 H71 T75 Y77 P309 C312 A313 L316Q59-L73 HydrophobicContact CG-CD1 4.13Å; H71-L73 PolarHBondContact ND1-N 2.92Å; H71-L73 PolarHBondContact O-N 2.74Å; H71-L73 VanDerWaalsContact O-N 3.11Å; L73-T75 VanDerWaalsContact C-N 3.35Å; L73-Y77 VanDerWaalsContact O-CB 3.25Å; L73-Y77 WeakPolarHBondContact O-CB 3.47Å; L73-Y77 PolarHBondContact O-N 2.97Å; L73-P309 WeakPolarHBondContact CD1-O 3.22Å; L73-C312 HydrophobicContact CB-CB 3.83Å; L73-A313 HydrophobicContact CD1-CB 3.87Å; L73-L316 HydrophobicContact CD2-CD2 4.08Å
74M95.1Very high94.4Very high29 Ų2967.8 Ų67.814%0.14334%0.344CS..Hα-helixtrans-62.7-45.5177-62.1172.168.400110.8N67 H71 P72 A78 Y94 G307N67-M74 HydrophobicContact CB-CE 3.73Å; H71-M74 HydrophobicContact CB-CG 4.49Å; H71-M74 HydrophobicContact CB-SD 4.38Å; H71-M74 WeakPolarHBondContact O-CB 3.43Å; H71-M74 PolarHBondContact O-N 3.17Å; H71-M74 VanDerWaalsContact O-N 3.08Å; P72-M74 PolarHBondContact O-N 3.43Å; M74-A78 WeakPolarHBondContact O-CB 3.4Å; M74-A78 PolarHBondContact O-N 3.14Å; M74-Y94 HydrophobicContact CB-CE2 4.39Å; M74-Y94 PolarHBondContact O-OH 3Å; M74-G307 WeakPolarHBondContact CG-O 3.26Å
75T95.5Very high94.6Very high81 Ų8163.7 Ų63.750%0.49732%0.319SS..Hα-helixtrans-77.8-41.2180-52.20000111.5P72 L73 Y77 A78 Q79P72-T75 PolarHBondContact O-N 2.77Å; P72-T75 VanDerWaalsContact O-N 3.11Å; L73-T75 VanDerWaalsContact C-N 3.35Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-Y77 PolarHBondContact O-N 3.13Å; T75-A78 PolarHBondContact O-N 2.87Å; T75-Q79 HydrophobicContact CG2-CG 4.17Å; T75-Q79 WeakPolarHBondContact O-CB 3.34Å; T75-Q79 VanDerWaalsContact O-CG 3.24Å; T75-Q79 WeakPolarHBondContact O-CG 3.21Å; T75-Q79 PolarHBondContact O-N 2.81Å
76I98.1Very high94.7Very high76 Ų7663.4 Ų63.439%0.3932%0.317SS..Hα-helixtrans-59.2-45.2178.1-69.1165.6000110.4P72 R80 L316P72-I76 HydrophobicContact CB-CD1 4.01Å; P72-I76 VanDerWaalsContact O-CG1 3.3Å; P72-I76 WeakPolarHBondContact O-CG1 3.32Å; P72-I76 PolarHBondContact O-N 3.23Å; I76-R80 VanDerWaalsContact O-CB 3.32Å; I76-R80 WeakPolarHBondContact O-CB 3.43Å; I76-R80 PolarHBondContact O-N 3.43Å; I76-L316 HydrophobicContact CG2-CD1 4.39Å; I76-L316 HydrophobicContact CG2-CD2 3.84Å
77Y98.1Very high94.5Very high0 Ų069.1 Ų69.10%035%0.347CS..Hα-helixtrans-65-48.6177.4177.6-96.8000111.7L73 T75 Q79 R80 L81 Y94 M276 A315 L316 L319L73-Y77 VanDerWaalsContact O-CB 3.25Å; L73-Y77 WeakPolarHBondContact O-CB 3.47Å; L73-Y77 PolarHBondContact O-N 2.97Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-Y77 PolarHBondContact O-N 3.13Å; Y77-Q79 VanDerWaalsContact C-N 3.33Å; Y77-Q79 PolarHBondContact O-N 3.41Å; Y77-R80 PolarHBondContact O-N 2.98Å; Y77-R80 VanDerWaalsContact O-N 3.16Å; Y77-L81 HydrophobicContact CE1-CB 4.36Å; Y77-L81 HydrophobicContact CE1-CD2 3.72Å; Y77-L81 WeakPolarHBondContact O-CB 3.46Å; Y77-L81 PolarHBondContact O-N 3.09Å; Y77-L81 WeakPolarHBondContact OH-CD2 3.46Å; Y77-Y94 AromaticContact CD1-CE1 3.79Å; Y77-Y94 HydrophobicContact CD1-CE1 3.79Å; Y77-Y94 WeakPolarHBondContact CD1-OH 3.4Å; Y77-Y94 HydrophobicContact CE1-CE1 4Å; Y77-M276 HydrophobicContact CD1-CE 4.29Å; Y77-M276 HydrophobicContact CE1-CE 3.27Å; Y77-M276 VanDerWaalsContact OH-CE 3.23Å; Y77-M276 WeakPolarHBondContact OH-CE 3.32Å; Y77-M276 WeakPolarHBondContact OH-CG 3.23Å; Y77-A315 HydrophobicContact CD2-CB 3.74Å; Y77-A315 HydrophobicContact CE1-CB 4.36Å; Y77-A315 VanDerWaalsContact CE2-C 3.49Å; Y77-A315 HydrophobicContact CE2-CB 3.3Å; Y77-A315 HydrophobicContact CG-CB 4.4Å; Y77-L316 HydrophobicContact CD2-CB 4.22Å; Y77-L319 HydrophobicContact CD2-CD1 3.94Å; Y77-L319 HydrophobicContact CE2-CD1 3.53Å; Y77-L319 HydrophobicContact CE2-CG 4.05Å
78A97.3Very high94.8Very high16 Ų1670.2 Ų70.213%0.13235%0.353CS..Hα-helixtrans-54.9-48176.300000111.7M74 T75 R80 L81 A82 F92 Y94M74-A78 WeakPolarHBondContact O-CB 3.4Å; M74-A78 PolarHBondContact O-N 3.14Å; T75-A78 PolarHBondContact O-N 2.87Å; A78-R80 PolarHBondContact O-N 2.75Å; A78-L81 PolarHBondContact O-N 3.27Å; A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.87Å; A78-F92 HydrophobicContact CB-CD1 4.39Å; A78-F92 HydrophobicContact CB-CD2 3.7Å; A78-F92 HydrophobicContact CB-CE2 3.91Å; A78-F92 HydrophobicContact CB-CG 3.97Å; A78-F92 HydrophobicContact CB-CZ 4.36Å; A78-F92 WeakPolarHBondContact O-CZ 3.37Å; A78-Y94 WeakPolarHBondContact CB-OH 3.34Å; A78-Y94 PolarHBondContact N-OH 3.41Å
79Q97.2Very high95.1Very high120 Ų12062 Ų6256%0.56132%0.322SS*.Hα-helixtrans-62.1-41.8177.4-74174.3-17.600112.4T75 Y77T75-Q79 HydrophobicContact CG2-CG 4.17Å; T75-Q79 WeakPolarHBondContact O-CB 3.34Å; T75-Q79 VanDerWaalsContact O-CG 3.24Å; T75-Q79 WeakPolarHBondContact O-CG 3.21Å; T75-Q79 PolarHBondContact O-N 2.81Å; Y77-Q79 VanDerWaalsContact C-N 3.33Å; Y77-Q79 PolarHBondContact O-N 3.41Å
80R97.9Very high95.4Very high56 Ų5659.1 Ų59.121%0.21131%0.313CS..Hα-helixtrans-66.7-40179-178.764.8-176.888-7111.7I76 Y77 A78 L316 L319 E323I76-R80 VanDerWaalsContact O-CB 3.32Å; I76-R80 WeakPolarHBondContact O-CB 3.43Å; I76-R80 PolarHBondContact O-N 3.43Å; Y77-R80 PolarHBondContact O-N 2.98Å; Y77-R80 VanDerWaalsContact O-N 3.16Å; A78-R80 PolarHBondContact O-N 2.75Å; R80-L316 HydrophobicContact CB-CD1 4.22Å; R80-L316 HydrophobicContact CG-CD1 4.11Å; R80-L319 HydrophobicContact CB-CD1 4.2Å; R80-L319 HydrophobicContact CG-CB 4.44Å; R80-L319 HydrophobicContact CG-CD1 3.66Å; R80-E323 IonicContact CZ-OE2 2.69Å; R80-E323 IonicContact NE-OE2 3.98Å; R80-E323 IonicContact NH2-OE1 3.24Å; R80-E323 PolarHBondContact NH2-OE1 2.8Å; R80-E323 IonicContact NH2-OE2 3.93Å; R80-E323 PolarHBondContact NH2-OE2 2.93Å
81L98Very high95.7Very high0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-76-38.4-179.6-174.463.4000112Y77 A78 K83 T84 L85 F92 F248 F255 W256 M272 L319Y77-L81 HydrophobicContact CE1-CB 4.36Å; Y77-L81 HydrophobicContact CE1-CD2 3.72Å; Y77-L81 WeakPolarHBondContact O-CB 3.46Å; Y77-L81 PolarHBondContact O-N 3.09Å; Y77-L81 WeakPolarHBondContact OH-CD2 3.46Å; A78-L81 PolarHBondContact O-N 3.27Å; L81-K83 PolarHBondContact O-N 2.85Å; L81-K83 VanDerWaalsContact O-N 3.13Å; L81-T84 WeakPolarHBondContact O-CB 3.45Å; L81-T84 PolarHBondContact O-N 3.13Å; L81-T84 PolarHBondContact O-OG1 2.85Å; L81-L85 HydrophobicContact CG-CD1 4.18Å; L81-F92 HydrophobicContact CB-CE1 4.26Å; L81-F92 HydrophobicContact CB-CZ 4.34Å; L81-F92 HydrophobicContact CD2-CE1 3.62Å; L81-F92 HydrophobicContact CD2-CZ 4.39Å; L81-F92 HydrophobicContact CG-CE1 4.17Å; L81-F92 HydrophobicContact CG-CZ 4.47Å; L81-F248 HydrophobicContact CD1-CE1 4.32Å; L81-F255 HydrophobicContact CD1-CE1 4.15Å; L81-W256 HydrophobicContact CD1-CH2 4.18Å; L81-W256 HydrophobicContact CD1-CZ2 3.86Å; L81-W256 HydrophobicContact CG-CZ2 4.37Å; L81-M272 HydrophobicContact CD1-CE 4.26Å; L81-M272 HydrophobicContact CD2-CE 3.52Å; L81-M272 HydrophobicContact CD2-SD 3.74Å; L81-M272 HydrophobicContact CG-CE 4.49Å; L81-L319 HydrophobicContact CB-CD1 4.25Å; L81-L319 HydrophobicContact CD1-CD1 4.37Å; L81-L319 HydrophobicContact CD1-CD2 4.24Å
82A97.5Very high95.8Very high29 Ų2952 Ų5224%0.2428%0.276CS..Hα-helixtrans-54.6-31.9176.900000112.8A78 T84 L85 F92A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.87Å; A82-T84 PolarHBondContact O-N 2.98Å; A82-T84 VanDerWaalsContact O-N 3.12Å; A82-L85 PolarHBondContact O-N 2.88Å; A82-L85 VanDerWaalsContact O-N 3.08Å; A82-F92 HydrophobicContact CB-CE2 4.19Å; A82-F92 HydrophobicContact CB-CZ 4.22Å
83K96.7Very high95.9Very high169 Ų16949.5 Ų49.574%0.73526%0.257SS*.THydrogen-bonded Turntrans-62-16.4174.1-66.5177.6-178.2-176.20114.5L81L81-K83 PolarHBondContact O-N 2.85Å; L81-K83 VanDerWaalsContact O-N 3.13Å
84T97Very high95.9Very high29 Ų2949.1 Ų49.118%0.17825%0.253CS..THydrogen-bonded Turntrans-99.1-10.6178.272.50000112.7L81 A82 F255 W256L81-T84 WeakPolarHBondContact O-CB 3.45Å; L81-T84 PolarHBondContact O-N 3.13Å; L81-T84 PolarHBondContact O-OG1 2.85Å; A82-T84 PolarHBondContact O-N 2.98Å; A82-T84 VanDerWaalsContact O-N 3.12Å; T84-F255 HydrophobicContact CG2-CD1 4.2Å; T84-F255 HydrophobicContact CG2-CD2 4.35Å; T84-F255 HydrophobicContact CG2-CE1 4.08Å; T84-F255 HydrophobicContact CG2-CE2 4.24Å; T84-F255 HydrophobicContact CG2-CG 4.32Å; T84-F255 HydrophobicContact CG2-CZ 4.09Å; T84-W256 PolarHBondContact O-NE1 2.72Å; T84-W256 PolarHBondContact OG1-NE1 3.46Å
85L97.1Very high96Very high11 Ų1147.8 Ų47.86%0.05825%0.247CC..SBendtrans-99.8160.3-175.7-72.9153.4000110.4L81 A82 L89 F92 W256 I270 V286L81-L85 HydrophobicContact CG-CD1 4.18Å; A82-L85 PolarHBondContact O-N 2.88Å; A82-L85 VanDerWaalsContact O-N 3.08Å; L85-L89 HydrophobicContact CB-CB 4.32Å; L85-F92 HydrophobicContact CD1-CE1 4.29Å; L85-F92 HydrophobicContact CD1-CZ 3.85Å; L85-W256 HydrophobicContact CD1-CZ2 4.21Å; L85-W256 HydrophobicContact CD2-CD2 4.24Å; L85-W256 VanDerWaalsContact CD2-CE2 3.44Å; L85-W256 HydrophobicContact CD2-CH2 4.18Å; L85-W256 HydrophobicContact CD2-CZ2 3.45Å; L85-W256 VanDerWaalsContact CD2-CZ2 3.45Å; L85-W256 HydrophobicContact CG-CZ2 3.66Å; L85-I270 HydrophobicContact CD2-CD1 3.81Å; L85-V286 HydrophobicContact CD1-CB 4.39Å; L85-V286 HydrophobicContact CD1-CG1 3.93Å; L85-V286 HydrophobicContact CD1-CG2 4.13Å
86P91.5Very high96.1Very high27 Ų2745.3 Ų45.318%0.17523%0.231CC..  trans-51.7143.9163-26.436000111.9D88 L89 Y258 A266P86-D88 PolarHBondContact O-N 3.23Å; P86-L89 HydrophobicContact CB-CD1 4.26Å; P86-L89 HydrophobicContact CG-CD1 3.93Å; P86-L89 PolarHBondContact O-N 3.46Å; P86-Y258 WeakPolarHBondContact CG-OH 3.46Å; P86-A266 HydrophobicContact CB-CB 3.75Å; P86-A266 HydrophobicContact CG-CB 3.7Å
87N86.5Confident96Very high157 Ų15743.3 Ų43.384%0.8422%0.224SC*.THydrogen-bonded Turntrans-56.7-29.1-169.2-71.3-23.1000114.6N90N87-N90 PolarHBondContact O-ND2 2.96Å
88D90.3Very high96Very high52 Ų5243.9 Ų43.928%0.27823%0.23SC..THydrogen-bonded Turntrans-87.3-18.6-179.351.24.1000113.9P86 N90 R288P86-D88 PolarHBondContact O-N 3.23Å; D88-N90 PolarHBondContact O-N 3.25Å; D88-N90 VanDerWaalsContact O-N 3.14Å; D88-R288 WeakPolarHBondContact O-CA 3.49Å; D88-R288 IonicContact OD2-CZ 2.9Å; D88-R288 IonicContact OD2-NE 3.17Å; D88-R288 IonicContact OD2-NH1 2.74Å; D88-R288 PolarHBondContact OD2-NH1 3.39Å; D88-R288 IonicContact OD2-NH2 3.86Å; D88-R288 PolarHBondContact OD2-NH2 3.45Å
89L96.1Very high96.1Very high1 Ų143.7 Ų43.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-83.579.4172.4-76.9170.9000110.3L85 P86 A266 P267 D268 I270 V286 R288L85-L89 HydrophobicContact CB-CB 4.32Å; P86-L89 HydrophobicContact CB-CD1 4.26Å; P86-L89 HydrophobicContact CG-CD1 3.93Å; P86-L89 PolarHBondContact O-N 3.46Å; L89-A266 HydrophobicContact CD1-CB 4.21Å; L89-P267 HydrophobicContact CD1-CG 4.32Å; L89-D268 WeakPolarHBondContact CD2-O 3.24Å; L89-I270 HydrophobicContact CD1-CD1 3.68Å; L89-I270 HydrophobicContact CD1-CG1 3.96Å; L89-V286 HydrophobicContact CB-CG1 4.15Å; L89-V286 WeakPolarHBondContact O-CG1 3.26Å; L89-R288 HydrophobicContact CD2-CG 3.99Å; L89-R288 HydrophobicContact CG-CG 4.37Å
90N94.8Very high96.2Very high74 Ų7440.7 Ų40.740%0.39621%0.213SC..EExtended strand (participates in β ladder)trans-134.73.9-168.46132.4000115N87 D88 F92 A287N87-N90 PolarHBondContact O-ND2 2.96Å; D88-N90 PolarHBondContact O-N 3.25Å; D88-N90 VanDerWaalsContact O-N 3.14Å; N90-F92 WeakPolarHBondContact O-CD2 3.24Å; N90-A287 PolarHBondContact N-O 3.37Å
91T97.2Very high96.2Very high20 Ų2038 Ų3812%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-109.3120.8179.1-54.70000110.5F93 V286 A287 R289 A292T91-F93 HydrophobicContact CG2-CE2 4.36Å; T91-V286 WeakPolarHBondContact O-CA 3.47Å; T91-A287 PolarHBondContact N-O 3.18Å; T91-A287 PolarHBondContact O-N 3.02Å; T91-R289 VanDerWaalsContact OG1-CD 3.22Å; T91-R289 WeakPolarHBondContact OG1-CD 3.48Å; T91-A292 HydrophobicContact CG2-CB 3.39Å
92F97.2Very high96.2Very high34 Ų3438.1 Ų38.115%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-108.4132.8-167.4-69.8-101.4000112.1A78 L81 A82 L85 N90 V286A78-F92 HydrophobicContact CB-CD1 4.39Å; A78-F92 HydrophobicContact CB-CD2 3.7Å; A78-F92 HydrophobicContact CB-CE2 3.91Å; A78-F92 HydrophobicContact CB-CG 3.97Å; A78-F92 HydrophobicContact CB-CZ 4.36Å; A78-F92 WeakPolarHBondContact O-CZ 3.37Å; L81-F92 HydrophobicContact CB-CE1 4.26Å; L81-F92 HydrophobicContact CB-CZ 4.34Å; L81-F92 HydrophobicContact CD2-CE1 3.62Å; L81-F92 HydrophobicContact CD2-CZ 4.39Å; L81-F92 HydrophobicContact CG-CE1 4.17Å; L81-F92 HydrophobicContact CG-CZ 4.47Å; A82-F92 HydrophobicContact CB-CE2 4.19Å; A82-F92 HydrophobicContact CB-CZ 4.22Å; L85-F92 HydrophobicContact CD1-CE1 4.29Å; L85-F92 HydrophobicContact CD1-CZ 3.85Å; N90-F92 WeakPolarHBondContact O-CD2 3.24Å; F92-V286 HydrophobicContact CD1-CG2 3.59Å; F92-V286 HydrophobicContact CE1-CB 4.43Å; F92-V286 HydrophobicContact CE1-CG1 4.21Å; F92-V286 HydrophobicContact CE1-CG2 3.38Å; F92-V286 HydrophobicContact CE2-CG1 4.25Å; F92-V286 HydrophobicContact CG-CG2 4.38Å; F92-V286 HydrophobicContact CZ-CG1 4.08Å; F92-V286 HydrophobicContact CZ-CG2 4.06Å
93F97.3Very high96.3Very high33 Ų3339.3 Ų39.315%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-118.2122.1165-57.5-90.4000108.8T91 L104 I108 A284 V285 A287 A292 F295 Y301T91-F93 HydrophobicContact CG2-CE2 4.36Å; F93-L104 HydrophobicContact CB-CD2 3.58Å; F93-L104 HydrophobicContact CG-CD2 4.26Å; F93-I108 HydrophobicContact CD2-CD1 3.78Å; F93-I108 HydrophobicContact CE2-CD1 3.83Å; F93-I108 HydrophobicContact CG-CD1 4.28Å; F93-I108 HydrophobicContact CZ-CD1 4.39Å; F93-A284 CarbonylContact O-C 3.5Å; F93-A284 WeakPolarHBondContact O-CA 3.19Å; F93-V285 HydrophobicContact CB-CB 4.36Å; F93-V285 PolarHBondContact N-O 3.21Å; F93-V285 PolarHBondContact O-N 2.87Å; F93-A287 HydrophobicContact CE2-CB 4.45Å; F93-A292 HydrophobicContact CE2-CB 3.81Å; F93-A292 HydrophobicContact CZ-CB 3.98Å; F93-F295 HydrophobicContact CD1-CD1 4.42Å; F93-F295 HydrophobicContact CD1-CE1 4.46Å; F93-F295 AromaticContact CE1-CD1 3.67Å; F93-F295 HydrophobicContact CE1-CD1 3.67Å; F93-F295 HydrophobicContact CE1-CE1 4.12Å; F93-F295 AromaticContact CZ-CD1 3.88Å; F93-F295 HydrophobicContact CZ-CD1 3.88Å; F93-Y301 HydrophobicContact CB-CE1 4.49Å; F93-Y301 HydrophobicContact CD1-CD1 4.2Å
94Y97.5Very high96.4Very high17 Ų1731.5 Ų31.57%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-94.4138.3-177.6-64.2-66.4000112.7M74 Y77 A78 M276 A284 Y301 G306 G307M74-Y94 HydrophobicContact CB-CE2 4.39Å; M74-Y94 PolarHBondContact O-OH 3Å; Y77-Y94 AromaticContact CD1-CE1 3.79Å; Y77-Y94 HydrophobicContact CD1-CE1 3.79Å; Y77-Y94 WeakPolarHBondContact CD1-OH 3.4Å; Y77-Y94 HydrophobicContact CE1-CE1 4Å; A78-Y94 WeakPolarHBondContact CB-OH 3.34Å; A78-Y94 PolarHBondContact N-OH 3.41Å; Y94-M276 HydrophobicContact CD1-CE 4.23Å; Y94-M276 HydrophobicContact CE1-CE 4.18Å; Y94-A284 HydrophobicContact CD1-CB 4.08Å; Y94-A284 HydrophobicContact CE1-CB 4.49Å; Y94-Y301 PolarHBondContact O-OH 3.47Å; Y94-G306 WeakPolarHBondContact O-CA 3.34Å; Y94-G307 VanDerWaalsContact CB-CA 3.42Å; Y94-G307 VanDerWaalsContact CB-N 3.27Å
95C97.3Very high96.4Very high1 Ų130.1 Ų30.11%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-130.2-176.5176.4-58.30000110.9E100 A283 Y301C95-E100 HydrophobicContact CB-CB 3.7Å; C95-A283 HydrophobicContact CB-CB 4.09Å; C95-A283 PolarHBondContact N-O 2.94Å; C95-A283 PolarHBondContact O-N 3.4Å; C95-Y301 PolarHBondContact SG-OH 2.94Å
96N96.6Very high96.5Very high29 Ų2930 Ų3016%0.15516%0.163CC..SBendtrans-101.1-23178.7-53.7-56.2000113.7E100 V282 N303 Y305 G306N96-E100 WeakPolarHBondContact CB-OE2 3.37Å; N96-E100 PolarHBondContact N-OE2 3.24Å; N96-E100 PolarHBondContact ND2-OE2 3.31Å; N96-E100 VanDerWaalsContact ND2-OE2 3.14Å; N96-V282 PolarHBondContact O-N 2.84Å; N96-N303 PolarHBondContact ND2-ND2 3.41Å; N96-N303 PolarHBondContact ND2-OD1 3.16Å; N96-Y305 WeakPolarHBondContact OD1-CB 3.33Å; N96-G306 PolarHBondContact OD1-N 2.99Å
97S97.7Very high96.8Very high35 Ų3531.8 Ų31.825%0.24517%0.166CC..SBendtrans-145.2160-175.3740000112.4S99 E100 A101 A283S97-S99 VanDerWaalsContact C-N 3.26Å; S97-S99 PolarHBondContact O-N 3.47Å; S97-E100 PolarHBondContact O-N 3.37Å; S97-E100 PolarHBondContact OG-N 3.15Å; S97-A101 PolarHBondContact O-N 3.44Å; S97-A283 WeakPolarHBondContact O-CB 3.12Å
98G98.2Very high97.3Very high12 Ų1224.3 Ų24.312%0.12413%0.126CC..Hα-helixtrans-61.2-33.9174.400000113.1E100 A101 N102G98-E100 PolarHBondContact O-N 3.06Å; G98-A101 PolarHBondContact O-N 2.91Å; G98-N102 WeakPolarHBondContact O-CB 3.22Å; G98-N102 PolarHBondContact O-N 3.36Å; G98-N102 PolarHBondContact O-ND2 2.89Å
99S98.5Very high97.7Very high12 Ų1221.8 Ų21.88%0.08411%0.113CC..Hα-helixtrans-61.6-44.2174.2-54.60000111.5S97 N102 D103 G127 H128S97-S99 VanDerWaalsContact C-N 3.26Å; S97-S99 PolarHBondContact O-N 3.47Å; S99-N102 PolarHBondContact O-N 3.3Å; S99-D103 VanDerWaalsContact O-CB 3.31Å; S99-D103 WeakPolarHBondContact O-CB 3.36Å; S99-D103 PolarHBondContact O-N 3.16Å; S99-G127 WeakPolarHBondContact OG-CA 3.46Å; S99-H128 PolarHBondContact OG-CD2 2.9Å; S99-H128 PolarHBondContact OG-N 3.38Å; S99-H128 PolarHBondContact OG-NE2 3.29Å
100E98.3Very high97.8Very high57 Ų5725 Ų2527%0.26613%0.127SC..Hα-helixtrans-66.6-38.2176.3-72.8175-155.200111.9C95 N96 S97 G98 L104 N303C95-E100 HydrophobicContact CB-CB 3.7Å; N96-E100 WeakPolarHBondContact CB-OE2 3.37Å; N96-E100 PolarHBondContact N-OE2 3.24Å; N96-E100 PolarHBondContact ND2-OE2 3.31Å; N96-E100 VanDerWaalsContact ND2-OE2 3.14Å; S97-E100 PolarHBondContact O-N 3.37Å; S97-E100 PolarHBondContact OG-N 3.15Å; G98-E100 PolarHBondContact O-N 3.06Å; E100-L104 VanDerWaalsContact O-CB 3.24Å; E100-L104 WeakPolarHBondContact O-CB 3.43Å; E100-L104 PolarHBondContact O-N 2.83Å; E100-N303 PolarHBondContact OE2-ND2 2.83Å; E100-N303 VanDerWaalsContact OE2-ND2 3.1Å
101A98.7Very high97.8Very high0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-64.1-45.5176.200000111.4S97 G98 L104 A105 A283 A284 V285S97-A101 PolarHBondContact O-N 3.44Å; G98-A101 PolarHBondContact O-N 2.91Å; A101-L104 PolarHBondContact O-N 2.75Å; A101-A105 WeakPolarHBondContact O-CB 3.25Å; A101-A105 PolarHBondContact O-N 3.23Å; A101-A283 HydrophobicContact CB-CB 4.19Å; A101-A284 WeakPolarHBondContact CB-O 3.37Å; A101-V285 HydrophobicContact CB-CG2 4.07Å; A101-V285 WeakPolarHBondContact O-CG2 3.43Å
102N98.9Very high97.8Very high2 Ų228.9 Ų28.91%0.01114%0.14CC..Hα-helixtrans-66.2-40.1178.1-72.8-22.9000112.6G98 S99 A105 L106 H126 M132 F207 D242 T271G98-N102 WeakPolarHBondContact O-CB 3.22Å; G98-N102 PolarHBondContact O-N 3.36Å; G98-N102 PolarHBondContact O-ND2 2.89Å; S99-N102 PolarHBondContact O-N 3.3Å; N102-A105 PolarHBondContact O-N 2.82Å; N102-L106 PolarHBondContact O-N 3.09Å; N102-H126 HydrophobicContact CB-CB 4.43Å; N102-H126 WeakPolarHBondContact CB-O 3.34Å; N102-H126 PolarHBondContact ND2-O 2.87Å; N102-M132 VanDerWaalsContact C-SD 3.52Å; N102-M132 HydrophobicContact CB-CG 4.42Å; N102-M132 HydrophobicContact CB-SD 3.38Å; N102-M132 WeakPolarHBondContact CB-SD 3.27Å; N102-F207 HydrophobicContact CB-CE1 4.27Å; N102-F207 HydrophobicContact CB-CZ 3.65Å; N102-F207 WeakPolarHBondContact OD1-CZ 3.45Å; N102-D242 PolarHBondContact ND2-OD2 3.17Å; N102-T271 WeakPolarHBondContact OD1-CB 3.41Å; N102-T271 WeakPolarHBondContact OD1-CG2 3.44Å; N102-T271 PolarHBondContact OD1-OG1 3.43Å
103D98.5Very high97.8Very high54 Ų5427.6 Ų27.629%0.28914%0.135SC..Hα-helixtrans-62.8-45.7174.6-179.771.7000112.3S99 A105 L106 R107 L129 S131 M132S99-D103 VanDerWaalsContact O-CB 3.31Å; S99-D103 WeakPolarHBondContact O-CB 3.36Å; S99-D103 PolarHBondContact O-N 3.16Å; D103-A105 PolarHBondContact O-N 2.91Å; D103-L106 PolarHBondContact O-N 3.08Å; D103-R107 PolarHBondContact O-N 2.85Å; D103-L129 HydrophobicContact CB-CD1 3.67Å; D103-S131 WeakPolarHBondContact OD1-CB 3.34Å; D103-S131 PolarHBondContact OD1-OG 3.19Å; D103-M132 HydrophobicContact CB-CE 4.11Å; D103-M132 HydrophobicContact CB-CG 4.24Å; D103-M132 HydrophobicContact CB-SD 4.37Å; D103-M132 PolarHBondContact N-SD 2.92Å
104L98.2Very high97.8Very high5 Ų528.7 Ų28.73%0.02616%0.155CC..Hα-helixtrans-63.6-41.6176.2-178.960.5000112F93 E100 A101 L106 R107 I108 V285 F295 Y301F93-L104 HydrophobicContact CB-CD2 3.58Å; F93-L104 HydrophobicContact CG-CD2 4.26Å; E100-L104 VanDerWaalsContact O-CB 3.24Å; E100-L104 WeakPolarHBondContact O-CB 3.43Å; E100-L104 PolarHBondContact O-N 2.83Å; A101-L104 PolarHBondContact O-N 2.75Å; L104-L106 VanDerWaalsContact C-N 3.3Å; L104-L106 PolarHBondContact O-N 3.41Å; L104-R107 WeakPolarHBondContact O-CB 3.47Å; L104-R107 PolarHBondContact O-N 2.9Å; L104-R107 VanDerWaalsContact O-N 3.14Å; L104-I108 HydrophobicContact CD1-CD1 4.33Å; L104-I108 HydrophobicContact CD1-CG1 4.38Å; L104-I108 HydrophobicContact CG-CD1 3.92Å; L104-I108 HydrophobicContact CG-CG1 4.44Å; L104-I108 WeakPolarHBondContact O-CG1 3.2Å; L104-I108 PolarHBondContact O-N 3.09Å; L104-V285 HydrophobicContact CB-CG2 4.12Å; L104-V285 HydrophobicContact CD2-CG2 4.14Å; L104-V285 HydrophobicContact CG-CG2 4.24Å; L104-F295 HydrophobicContact CD1-CE1 3.92Å; L104-F295 HydrophobicContact CD1-CZ 3.71Å; L104-Y301 HydrophobicContact CD1-CD2 3.58Å; L104-Y301 HydrophobicContact CD1-CE2 3.67Å; L104-Y301 HydrophobicContact CD1-CG 4.21Å; L104-Y301 HydrophobicContact CD2-CD1 4.43Å; L104-Y301 HydrophobicContact CD2-CD2 4.19Å; L104-Y301 HydrophobicContact CD2-CE1 3.92Å; L104-Y301 HydrophobicContact CD2-CE2 3.64Å; L104-Y301 VanDerWaalsContact CD2-CZ 3.49Å; L104-Y301 HydrophobicContact CG-CE2 4.23Å
105A98.7Very high97.8Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-62-39.9176.800000111.7A101 N102 D103 R107 I108 A109 F207 I240 M269 T271 V285A101-A105 WeakPolarHBondContact O-CB 3.25Å; A101-A105 PolarHBondContact O-N 3.23Å; N102-A105 PolarHBondContact O-N 2.82Å; D103-A105 PolarHBondContact O-N 2.91Å; A105-R107 VanDerWaalsContact C-N 3.33Å; A105-R107 PolarHBondContact O-N 3.12Å; A105-I108 PolarHBondContact O-N 3.2Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.46Å; A105-F207 HydrophobicContact CB-CE2 4.49Å; A105-I240 HydrophobicContact CB-CD1 4.06Å; A105-I240 HydrophobicContact CB-CG2 4.03Å; A105-M269 HydrophobicContact CB-SD 4.19Å; A105-T271 HydrophobicContact CB-CG2 3.5Å; A105-V285 HydrophobicContact CB-CG1 3.94Å; A105-V285 HydrophobicContact CB-CG2 4.11Å
106L98.4Very high97.9Very high7 Ų731.5 Ų31.54%0.03718%0.175CC..Hα-helixtrans-63.5-39.9173.7179.160000111.7N102 D103 L104 A109 K110 V118 M132 I135N102-L106 PolarHBondContact O-N 3.09Å; D103-L106 PolarHBondContact O-N 3.08Å; L104-L106 VanDerWaalsContact C-N 3.3Å; L104-L106 PolarHBondContact O-N 3.41Å; L106-A109 PolarHBondContact O-N 2.89Å; L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 2.78Å; L106-K110 VanDerWaalsContact O-N 3.11Å; L106-V118 HydrophobicContact CD1-CG1 4.47Å; L106-V118 HydrophobicContact CD1-CG2 3.57Å; L106-M132 HydrophobicContact CB-CE 4.2Å; L106-M132 HydrophobicContact CD2-CE 3.77Å; L106-I135 HydrophobicContact CD2-CD1 4.46Å; L106-I135 HydrophobicContact CD2-CG2 4.37Å
107R97.4Very high98Very high65 Ų6530.3 Ų30.325%0.24517%0.168CC..Hα-helixtrans-62.6-48.6175.1-174.8-175.3162.2-168.7-14.2111.5D103 L104 A105 A109 K110 D111 F295 M299 E300D103-R107 PolarHBondContact O-N 2.85Å; L104-R107 WeakPolarHBondContact O-CB 3.47Å; L104-R107 PolarHBondContact O-N 2.9Å; L104-R107 VanDerWaalsContact O-N 3.14Å; A105-R107 VanDerWaalsContact C-N 3.33Å; A105-R107 PolarHBondContact O-N 3.12Å; R107-A109 VanDerWaalsContact C-N 3.3Å; R107-A109 PolarHBondContact O-N 3.19Å; R107-K110 PolarHBondContact O-N 2.89Å; R107-D111 PolarHBondContact O-N 2.84Å; R107-F295 HydrophobicContact CG-CE2 3.86Å; R107-F295 HydrophobicContact CG-CZ 4.4Å; R107-M299 VanDerWaalsContact NH2-CG 3.27Å; R107-M299 PolarHBondContact NH2-O 2.96Å; R107-M299 PolarHBondContact NH2-SD 3.15Å; R107-M299 VanDerWaalsContact NH2-SD 3.44Å; R107-E300 PolarHBondContact NH2-O 3.1Å
108I98.3Very high98Very high0 Ų028.7 Ų28.70%016%0.157CC..Hα-helixtrans-57.2-44.4176.8-67.3163.6000110.7F93 L104 A105 K110 D111 Y112 M269 V285 V291 F295F93-I108 HydrophobicContact CD2-CD1 3.78Å; F93-I108 HydrophobicContact CE2-CD1 3.83Å; F93-I108 HydrophobicContact CG-CD1 4.28Å; F93-I108 HydrophobicContact CZ-CD1 4.39Å; L104-I108 HydrophobicContact CD1-CD1 4.33Å; L104-I108 HydrophobicContact CD1-CG1 4.38Å; L104-I108 HydrophobicContact CG-CD1 3.92Å; L104-I108 HydrophobicContact CG-CG1 4.44Å; L104-I108 WeakPolarHBondContact O-CG1 3.2Å; L104-I108 PolarHBondContact O-N 3.09Å; A105-I108 PolarHBondContact O-N 3.2Å; I108-K110 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 2.88Å; I108-D111 PolarHBondContact O-N 2.86Å; I108-Y112 WeakPolarHBondContact O-CB 3.42Å; I108-Y112 PolarHBondContact O-N 3.28Å; I108-M269 HydrophobicContact CB-CE 4.33Å; I108-M269 HydrophobicContact CB-SD 3.93Å; I108-M269 HydrophobicContact CD1-SD 4.4Å; I108-M269 HydrophobicContact CG2-CE 4.04Å; I108-M269 HydrophobicContact CG2-SD 3.65Å; I108-V285 HydrophobicContact CD1-CG1 4.22Å; I108-V291 HydrophobicContact CG2-CG1 3.8Å; I108-F295 HydrophobicContact CB-CD2 4.39Å; I108-F295 HydrophobicContact CB-CG 4.47Å; I108-F295 HydrophobicContact CD1-CD1 4.35Å; I108-F295 HydrophobicContact CG1-CB 4.23Å; I108-F295 HydrophobicContact CG1-CD1 3.77Å; I108-F295 HydrophobicContact CG1-CD2 3.79Å; I108-F295 HydrophobicContact CG1-CE1 3.99Å; I108-F295 HydrophobicContact CG1-CE2 4.04Å; I108-F295 HydrophobicContact CG1-CG 3.66Å; I108-F295 HydrophobicContact CG1-CZ 4.13Å; I108-F295 HydrophobicContact CG2-CB 4.37Å
109A98.4Very high98.1Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-59.7-42.9177.500000112.9A105 L106 R107 T113 A205 V238 I240 M269A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.46Å; L106-A109 PolarHBondContact O-N 2.89Å; R107-A109 VanDerWaalsContact C-N 3.3Å; R107-A109 PolarHBondContact O-N 3.19Å; A109-T113 WeakPolarHBondContact O-CB 3.16Å; A109-T113 WeakPolarHBondContact O-CG2 3.23Å; A109-T113 PolarHBondContact O-N 2.9Å; A109-T113 PolarHBondContact O-OG1 3.43Å; A109-A205 HydrophobicContact CB-CB 3.89Å; A109-V238 HydrophobicContact CB-CG2 3.41Å; A109-V238 VanDerWaalsContact CB-CG2 3.41Å; A109-I240 HydrophobicContact CB-CD1 4.07Å; A109-M269 HydrophobicContact CB-CE 3.88Å
110K97Very high98.1Very high68 Ų6827.5 Ų27.530%0.29615%0.147SC..Hα-helixtrans-65.7-43.9178.9-70.2-179.2175.2-178.50111.4L106 R107 I108 G114 G115 A204L106-K110 WeakPolarHBondContact O-CG 3.43Å; L106-K110 PolarHBondContact O-N 2.78Å; L106-K110 VanDerWaalsContact O-N 3.11Å; R107-K110 PolarHBondContact O-N 2.89Å; I108-K110 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 2.88Å; K110-G114 VanDerWaalsContact O-CA 3.26Å; K110-G114 WeakPolarHBondContact O-CA 3.17Å; K110-G114 PolarHBondContact O-N 3.09Å; K110-G115 WeakPolarHBondContact CG-O 3.16Å; K110-A204 HydrophobicContact CG-CB 3.89Å
111D96.2Very high98.1Very high77 Ų7724.8 Ų24.841%0.41213%0.134SC..Hα-helixtrans-63.8-44.7178.5-73.41.6000111R107 I108 F295R107-D111 PolarHBondContact O-N 2.84Å; I108-D111 PolarHBondContact O-N 2.86Å; D111-F295 HydrophobicContact CB-CD2 4.12Å; D111-F295 WeakPolarHBondContact OD2-CD2 3.2Å; D111-F295 VanDerWaalsContact OD2-CE2 3.25Å; D111-F295 WeakPolarHBondContact OD2-CE2 3.3Å
112Y97.2Very high98Very high99 Ų9926.8 Ų26.839%0.38815%0.145SC..Hα-helixtrans-66.2-45.4-179.9178-109.2000113.4I108 V238 V291 E294I108-Y112 WeakPolarHBondContact O-CB 3.42Å; I108-Y112 PolarHBondContact O-N 3.28Å; Y112-V238 HydrophobicContact CD1-CG1 3.5Å; Y112-V238 HydrophobicContact CE1-CG1 3.71Å; Y112-V291 HydrophobicContact CD1-CG1 4.36Å; Y112-V291 HydrophobicContact CD1-CG2 4.21Å; Y112-V291 HydrophobicContact CD2-CB 4.43Å; Y112-V291 HydrophobicContact CD2-CG2 4.44Å; Y112-V291 HydrophobicContact CE1-CG2 4.01Å; Y112-V291 HydrophobicContact CE2-CG2 4.26Å; Y112-V291 HydrophobicContact CG-CB 4.47Å; Y112-V291 HydrophobicContact CG-CG1 4.14Å; Y112-V291 HydrophobicContact CG-CG2 4.42Å; Y112-E294 HydrophobicContact CD2-CB 3.83Å; Y112-E294 HydrophobicContact CD2-CG 3.67Å; Y112-E294 HydrophobicContact CE2-CG 4.05Å
113T97.6Very high97.9Very high7 Ų729.1 Ų29.14%0.04316%0.155CC..Hα-helixtrans-91.6-18.5-171.961.90000113.7A109 G115 R202 A204 G236 V238A109-T113 WeakPolarHBondContact O-CB 3.16Å; A109-T113 WeakPolarHBondContact O-CG2 3.23Å; A109-T113 PolarHBondContact O-N 2.9Å; A109-T113 PolarHBondContact O-OG1 3.43Å; T113-G115 PolarHBondContact O-N 2.71Å; T113-G115 PolarHBondContact OG1-N 3.29Å; T113-R202 VanDerWaalsContact O-CZ 3.31Å; T113-R202 PolarHBondContact O-NE 2.75Å; T113-R202 PolarHBondContact O-NH2 2.88Å; T113-A204 WeakPolarHBondContact CG2-O 3.05Å; T113-A204 WeakPolarHBondContact OG1-CA 3.47Å; T113-G236 WeakPolarHBondContact CG2-O 3.49Å; T113-V238 HydrophobicContact CG2-CG1 4.03Å; T113-V238 HydrophobicContact CG2-CG2 4.47Å
114G96.4Very high97.9Very high55 Ų5526.6 Ų26.657%0.56714%0.142SC*.  trans62.810.2-164.600000113.9K110K110-G114 VanDerWaalsContact O-CA 3.26Å; K110-G114 WeakPolarHBondContact O-CA 3.17Å; K110-G114 PolarHBondContact O-N 3.09Å
115G98Very high97.9Very high2 Ų228.8 Ų28.82%0.02115%0.15CC..  trans-85.6158.8179.300000112.8K110 T113 R202 A204K110-G115 WeakPolarHBondContact CG-O 3.16Å; T113-G115 PolarHBondContact O-N 2.71Å; T113-G115 PolarHBondContact OG1-N 3.29Å; G115-R202 VanDerWaalsContact CA-O 3.3Å; G115-R202 WeakPolarHBondContact CA-O 3.36Å; G115-A204 WeakPolarHBondContact O-CB 3.25Å
116T98Very high97.8Very high76 Ų7628.9 Ų28.947%0.46615%0.151SC..  trans-120.9-21.7174.954.20000113R202T116-R202 PolarHBondContact N-O 3.35Å; T116-R202 VanDerWaalsContact N-O 3.11Å
117E98.8Very high97.8Very high4 Ų428.6 Ų28.62%0.01915%0.15CC..EExtended strand (participates in β ladder)trans-82.7143.8-174-49.1-57.4107.800110.8H151 Y153 I196 K201 R202 A204E117-H151 CarbonylContact C-O 3.06Å; E117-H151 VanDerWaalsContact CA-O 3.28Å; E117-H151 WeakPolarHBondContact CA-O 3.29Å; E117-H151 WeakPolarHBondContact OE2-CA 3.35Å; E117-Y153 HydrophobicContact CB-CD2 4.48Å; E117-Y153 HydrophobicContact CB-CE2 4.2Å; E117-Y153 HydrophobicContact CG-CE2 4.38Å; E117-Y153 WeakPolarHBondContact OE2-CE2 3.37Å; E117-I196 HydrophobicContact CB-CD1 3.88Å; E117-I196 HydrophobicContact CB-CG1 4.14Å; E117-I196 HydrophobicContact CB-CG2 4.09Å; E117-I196 HydrophobicContact CG-CG1 4.44Å; E117-I196 HydrophobicContact CG-CG2 3.93Å; E117-K201 HydrophobicContact CG-CB 3.72Å; E117-K201 HydrophobicContact CG-CD 3.74Å; E117-K201 HydrophobicContact CG-CG 4.45Å; E117-K201 WeakPolarHBondContact OE1-CD 3.47Å; E117-K201 IonicContact OE1-NZ 3.41Å; E117-K201 PolarHBondContact OE1-NZ 3.22Å; E117-K201 WeakPolarHBondContact OE2-CD 3.24Å; E117-K201 IonicContact OE2-NZ 2.67Å; E117-K201 PolarHBondContact OE2-NZ 3.43Å; E117-R202 PolarHBondContact N-O 2.6Å; E117-A204 WeakPolarHBondContact O-CA 3.48Å; E117-A204 VanDerWaalsContact O-CB 3.32Å; E117-A204 WeakPolarHBondContact O-CB 3.09Å; E117-A204 PolarHBondContact O-N 2.88Å
118V98.9Very high97.7Very high0 Ų031 Ų310%016%0.164CC..EExtended strand (participates in β ladder)trans-128.7131.7-177.1-171.10000109.2L106 V120 I135 H151 V152 Y153 A205 F207L106-V118 HydrophobicContact CD1-CG1 4.47Å; L106-V118 HydrophobicContact CD1-CG2 3.57Å; V118-V120 HydrophobicContact CG1-CG1 4Å; V118-I135 HydrophobicContact CB-CG2 4.44Å; V118-I135 HydrophobicContact CG1-CG2 4.32Å; V118-H151 PolarHBondContact N-O 3.03Å; V118-V152 CarbonylContact O-C 3.49Å; V118-V152 WeakPolarHBondContact O-CA 3.44Å; V118-Y153 PolarHBondContact O-N 3.1Å; V118-A205 WeakPolarHBondContact CA-O 3.33Å; V118-F207 HydrophobicContact CG1-CB 4.48Å
119I98.9Very high97.7Very high0 Ų033.7 Ų33.70%018%0.178CC..EExtended strand (participates in β ladder)trans-99.1128.9168.4-59166.7000108.3Y153 A155 V189 L192 I196 L203 A205 F206 F207I119-Y153 CarbonylContact C-O 3.52Å; I119-Y153 WeakPolarHBondContact CA-O 3.31Å; I119-A155 HydrophobicContact CG2-CB 4.15Å; I119-V189 HydrophobicContact CD1-CG1 4.21Å; I119-V189 HydrophobicContact CG2-CG1 4.38Å; I119-L192 HydrophobicContact CD1-CB 3.82Å; I119-L192 HydrophobicContact CG1-CB 4.18Å; I119-L192 HydrophobicContact CG2-CD1 3.84Å; I119-I196 HydrophobicContact CD1-CD1 4.01Å; I119-I196 HydrophobicContact CG1-CD1 3.86Å; I119-L203 HydrophobicContact CD1-CD1 3.82Å; I119-L203 HydrophobicContact CD1-CD2 4.23Å; I119-L203 HydrophobicContact CG1-CD1 3.8Å; I119-A205 PolarHBondContact N-O 3.06Å; I119-F206 HydrophobicContact CB-CD2 4.03Å; I119-F206 HydrophobicContact CG2-CD2 3.72Å; I119-F206 HydrophobicContact CG2-CE2 4.19Å; I119-F206 CarbonylContact O-C 3.56Å; I119-F206 VanDerWaalsContact O-CA 3.32Å; I119-F206 WeakPolarHBondContact O-CA 3.21Å; I119-F207 PolarHBondContact O-N 3.16Å
120V98.8Very high97.6Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-124.7158.7176.1-62.80000110.7V118 I135 P137 V152 Y153 V154 A155 F207V118-V120 HydrophobicContact CG1-CG1 4Å; V120-I135 HydrophobicContact CG1-CB 3.91Å; V120-I135 WeakPolarHBondContact CG1-O 3.33Å; V120-P137 HydrophobicContact CG2-CG 3.8Å; V120-V152 HydrophobicContact CG2-CG1 3.84Å; V120-Y153 PolarHBondContact N-O 2.98Å; V120-V154 HydrophobicContact CG2-CG2 3.98Å; V120-V154 CarbonylContact O-C 3.59Å; V120-V154 WeakPolarHBondContact O-CA 3.49Å; V120-A155 PolarHBondContact O-N 2.98Å; V120-F207 HydrophobicContact CG1-CB 4.17Å
121V98.6Very high97.6Very high0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-83.7138.5173.5-176.20000110.2A124 C157 F206 M208 I212V121-A124 WeakPolarHBondContact O-CB 3.37Å; V121-A124 PolarHBondContact O-N 3.46Å; V121-C157 HydrophobicContact CG1-CB 4.29Å; V121-F206 HydrophobicContact CG2-CE2 4.04Å; V121-F206 HydrophobicContact CG2-CZ 3.68Å; V121-M208 HydrophobicContact CG2-CB 3.71Å; V121-I212 HydrophobicContact CG1-CD1 3.79Å
122D98Very high97.7Very high41 Ų4135.8 Ų35.822%0.21919%0.192CC..THydrogen-bonded Turntrans-56.4148.3176.1-161.66.8000111.3A124 V154 A155 C157D122-A124 PolarHBondContact O-N 3.5Å; D122-A124 VanDerWaalsContact O-N 3.14Å; D122-V154 HydrophobicContact CB-CG1 3.6Å; D122-A155 PolarHBondContact N-O 3.15Å; D122-C157 HydrophobicContact CB-CB 4.26Å
123H96.7Very high97.7Very high51 Ų5134.2 Ų34.224%0.23619%0.189CC..THydrogen-bonded Turntrans62.63.9-173.3-43.3-37.5000116.2C214 G215H123-C214 VanDerWaalsContact O-CB 3.32Å; H123-C214 WeakPolarHBondContact O-CB 3.44Å; H123-G215 VanDerWaalsContact CB-CA 3.48Å
124A97.5Very high97.7Very high1 Ų136.9 Ų36.91%0.00820%0.203CC..  trans-65.6153.417800000112.8V121 D122 S136 P137 Y138V121-A124 WeakPolarHBondContact O-CB 3.37Å; V121-A124 PolarHBondContact O-N 3.46Å; D122-A124 PolarHBondContact O-N 3.5Å; D122-A124 VanDerWaalsContact O-N 3.14Å; A124-S136 CarbonylContact O-C 3.59Å; A124-P137 WeakPolarHBondContact O-CD 3.44Å; A124-Y138 VanDerWaalsContact O-CB 3.23Å; A124-Y138 WeakPolarHBondContact O-CB 3.12Å; A124-Y138 PolarHBondContact O-N 2.93Å; A124-Y138 VanDerWaalsContact O-N 3.14Å
125Y97.5Very high97.8Very high51 Ų5134.3 Ų34.320%0.218%0.176CC..  trans-135.5117.3172.6174.6-106.8000110.8G127 H128 Y138 K139 C214Y125-G127 WeakPolarHBondContact CE2-O 3.47Å; Y125-G127 VanDerWaalsContact OH-C 3.27Å; Y125-H128 PolarHBondContact OH-N 3.49Å; Y125-Y138 AromaticContact CD2-CD1 3.93Å; Y125-Y138 HydrophobicContact CD2-CD1 3.93Å; Y125-Y138 HydrophobicContact CG-CD1 4.27Å; Y125-K139 HydrophobicContact CD2-CG 3.96Å; Y125-K139 HydrophobicContact CE2-CD 4.32Å; Y125-K139 VanDerWaalsContact CE2-CE 3.4Å; Y125-K139 HydrophobicContact CE2-CG 4Å; Y125-C214 VanDerWaalsContact CB-SG 3.53Å
126H98.1Very high97.8Very high2 Ų234.2 Ų34.21%0.00918%0.175CC..  trans-1142.3-175.8-63.7-53.6000114.2N102 M132 I135 S136 F207 D242N102-H126 HydrophobicContact CB-CB 4.43Å; N102-H126 WeakPolarHBondContact CB-O 3.34Å; N102-H126 PolarHBondContact ND2-O 2.87Å; H126-M132 HydrophobicContact CB-SD 4.16Å; H126-I135 HydrophobicContact CB-CD1 4.16Å; H126-I135 HydrophobicContact CB-CG1 4.35Å; H126-S136 PolarHBondContact N-OG 3.19Å; H126-F207 HydrophobicContact CB-CE1 4.35Å; H126-F207 AromaticContact CD2-CD1 3.82Å; H126-F207 AromaticContact CE1-CD1 3.44Å; H126-F207 VanDerWaalsContact CE1-CD1 3.44Å; H126-F207 WeakPolarHBondContact CE1-CD1 3.25Å; H126-F207 AromaticContact CE1-CE1 3.87Å; H126-F207 AromaticContact CG-CD1 3.79Å; H126-F207 AromaticContact CG-CE1 3.81Å; H126-F207 AromaticContact ND1-CD1 3.55Å; H126-F207 AromaticContact ND1-CE1 3.52Å; H126-F207 AromaticContact NE2-CD1 3.62Å; H126-D242 IonicContact CE1-OD2 3.41Å; H126-D242 IonicContact ND1-OD2 3.43Å; H126-D242 PolarHBondContact ND1-OD2 3.1Å
127G97.3Very high97.8Very high2 Ų230.7 Ų30.72%0.02115%0.154CC..  trans142.6-176172.500000114.4S99 Y125S99-G127 WeakPolarHBondContact OG-CA 3.46Å; Y125-G127 WeakPolarHBondContact CE2-O 3.47Å; Y125-G127 VanDerWaalsContact OH-C 3.27Å
128H95.8Very high97.6Very high116 Ų11635.3 Ų35.354%0.53717%0.172SC..SBendtrans-112.61.2-175.669.973.7000114.1S99 Y125S99-H128 PolarHBondContact OG-CD2 2.9Å; S99-H128 PolarHBondContact OG-N 3.38Å; S99-H128 PolarHBondContact OG-NE2 3.29Å; Y125-H128 PolarHBondContact OH-N 3.49Å
129L97.5Very high97.5Very high55 Ų5539.2 Ų39.229%0.28819%0.189SC..SBendtrans-67.1154.8167.9-63.9176.7000109.1D103 S131 M132 I133D103-L129 HydrophobicContact CB-CD1 3.67Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.99Å; L129-M132 HydrophobicContact CB-CB 4.34Å; L129-M132 HydrophobicContact CB-CG 4.13Å; L129-M132 CarbonylContact O-C 3.51Å; L129-M132 WeakPolarHBondContact O-CA 3.49Å; L129-M132 WeakPolarHBondContact O-CB 3.31Å; L129-M132 PolarHBondContact O-N 3.42Å; L129-I133 WeakPolarHBondContact O-CG1 3.21Å; L129-I133 PolarHBondContact O-N 2.92Å
130M96.5Very high97.3Very high158 Ų15839.6 Ų39.678%0.77819%0.191SC*.Hα-helixtrans-56.1-47.9-177.4-66.4-175.3-64.100111.9M132 I133 D134M130-M132 PolarHBondContact O-N 3.49Å; M130-I133 WeakPolarHBondContact O-CB 3.43Å; M130-I133 PolarHBondContact O-N 3.01Å; M130-I133 VanDerWaalsContact O-N 3.13Å; M130-D134 PolarHBondContact O-N 3.4Å
131S97.2Very high97.2Very high32 Ų3244.5 Ų44.522%0.22422%0.217CC..Hα-helixtrans-55.9-34.5173.350.10000113.6D103 L129 I135D103-S131 WeakPolarHBondContact OD1-CB 3.34Å; D103-S131 PolarHBondContact OD1-OG 3.19Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.99Å; S131-I135 PolarHBondContact O-N 2.88Å
132M98.2Very high96.9Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-81.7-31.3178.8-63.5-58.895.900112.4N102 D103 L106 H126 L129 M130 D134 I135 S136N102-M132 VanDerWaalsContact C-SD 3.52Å; N102-M132 HydrophobicContact CB-CG 4.42Å; N102-M132 HydrophobicContact CB-SD 3.38Å; N102-M132 WeakPolarHBondContact CB-SD 3.27Å; D103-M132 HydrophobicContact CB-CE 4.11Å; D103-M132 HydrophobicContact CB-CG 4.24Å; D103-M132 HydrophobicContact CB-SD 4.37Å; D103-M132 PolarHBondContact N-SD 2.92Å; L106-M132 HydrophobicContact CB-CE 4.2Å; L106-M132 HydrophobicContact CD2-CE 3.77Å; H126-M132 HydrophobicContact CB-SD 4.16Å; L129-M132 HydrophobicContact CB-CB 4.34Å; L129-M132 HydrophobicContact CB-CG 4.13Å; L129-M132 CarbonylContact O-C 3.51Å; L129-M132 WeakPolarHBondContact O-CA 3.49Å; L129-M132 WeakPolarHBondContact O-CB 3.31Å; L129-M132 PolarHBondContact O-N 3.42Å; M130-M132 PolarHBondContact O-N 3.49Å; M132-D134 VanDerWaalsContact C-N 3.32Å; M132-I135 HydrophobicContact CE-CD1 3.71Å; M132-I135 HydrophobicContact CE-CG1 4.02Å; M132-I135 PolarHBondContact O-N 2.9Å; M132-I135 HydrophobicContact SD-CD1 3.93Å; M132-I135 HydrophobicContact SD-CG1 4.26Å; M132-S136 WeakPolarHBondContact O-CB 3.44Å; M132-S136 PolarHBondContact O-N 3.49Å; M132-S136 VanDerWaalsContact O-N 3.14Å; M132-S136 PolarHBondContact O-OG 3.34Å
133I97.4Very high96.5Very high65 Ų6554.7 Ų54.733%0.33327%0.268SS..Hα-helixtrans-63.1-43.4170.6-71.1168.2000109.5L129 M130 I135 S136 K139L129-I133 WeakPolarHBondContact O-CG1 3.21Å; L129-I133 PolarHBondContact O-N 2.92Å; M130-I133 WeakPolarHBondContact O-CB 3.43Å; M130-I133 PolarHBondContact O-N 3.01Å; M130-I133 VanDerWaalsContact O-N 3.13Å; I133-I135 VanDerWaalsContact C-N 3.26Å; I133-I135 PolarHBondContact O-N 3.44Å; I133-S136 PolarHBondContact O-N 3.14Å; I133-S136 VanDerWaalsContact O-N 3.09Å; I133-K139 HydrophobicContact CG2-CB 4.07Å
134D97.5Very high96.1Very high64 Ų6456.1 Ų56.134%0.34230%0.296SS..Hα-helixtrans-57.7-36.9178.3-76.7-7.8000112.8M130 M132 F140 P149M130-D134 PolarHBondContact O-N 3.4Å; M132-D134 VanDerWaalsContact C-N 3.32Å; D134-F140 WeakPolarHBondContact O-CD1 3.36Å; D134-F140 VanDerWaalsContact O-CE1 3.29Å; D134-F140 WeakPolarHBondContact O-CE1 3.26Å; D134-P149 HydrophobicContact CB-CG 3.86Å; D134-P149 WeakPolarHBondContact O-CD 3.44Å
135I98Very high95.9Very high0 Ų057.8 Ų57.80%031%0.313CS..THydrogen-bonded Turntrans-99.112.817972.2159000113.5L106 V118 V120 H126 S131 M132 I133 P137 V152 F207L106-I135 HydrophobicContact CD2-CD1 4.46Å; L106-I135 HydrophobicContact CD2-CG2 4.37Å; V118-I135 HydrophobicContact CB-CG2 4.44Å; V118-I135 HydrophobicContact CG1-CG2 4.32Å; V120-I135 HydrophobicContact CG1-CB 3.91Å; V120-I135 WeakPolarHBondContact CG1-O 3.33Å; H126-I135 HydrophobicContact CB-CD1 4.16Å; H126-I135 HydrophobicContact CB-CG1 4.35Å; S131-I135 PolarHBondContact O-N 2.88Å; M132-I135 HydrophobicContact CE-CD1 3.71Å; M132-I135 HydrophobicContact CE-CG1 4.02Å; M132-I135 PolarHBondContact O-N 2.9Å; M132-I135 HydrophobicContact SD-CD1 3.93Å; M132-I135 HydrophobicContact SD-CG1 4.26Å; I133-I135 VanDerWaalsContact C-N 3.26Å; I133-I135 PolarHBondContact O-N 3.44Å; I135-P137 WeakPolarHBondContact O-CD 3.12Å; I135-V152 HydrophobicContact CG2-CG2 3.95Å; I135-F207 HydrophobicContact CD1-CD2 3.94Å; I135-F207 HydrophobicContact CD1-CE2 4.21Å; I135-F207 HydrophobicContact CD1-CG 4.23Å
136S98.2Very high95.6Very high0 Ų061.5 Ų61.50%035%0.347CS..  trans-112.298.2178.5-67.70000111.1A124 H126 M132 I133 Y138 K139 F140A124-S136 CarbonylContact O-C 3.59Å; H126-S136 PolarHBondContact N-OG 3.19Å; M132-S136 WeakPolarHBondContact O-CB 3.44Å; M132-S136 PolarHBondContact O-N 3.49Å; M132-S136 VanDerWaalsContact O-N 3.14Å; M132-S136 PolarHBondContact O-OG 3.34Å; I133-S136 PolarHBondContact O-N 3.14Å; I133-S136 VanDerWaalsContact O-N 3.09Å; S136-Y138 PolarHBondContact O-N 3.4Å; S136-Y138 VanDerWaalsContact O-N 3.12Å; S136-K139 WeakPolarHBondContact O-CA 3.46Å; S136-K139 PolarHBondContact O-N 3Å; S136-F140 VanDerWaalsContact C-CE1 3.41Å; S136-F140 WeakPolarHBondContact O-CD1 3.37Å; S136-F140 PolarHBondContact O-N 3.42Å
137P97.9Very high95.5Very high2 Ų263 Ų631%0.01336%0.362CS..Hα-helixtrans-54.1-33.4175.2-24.531.9000113.3V120 A124 I135 K139 F140 N141 V154V120-P137 HydrophobicContact CG2-CG 3.8Å; A124-P137 WeakPolarHBondContact O-CD 3.44Å; I135-P137 WeakPolarHBondContact O-CD 3.12Å; P137-K139 PolarHBondContact O-N 3.1Å; P137-K139 VanDerWaalsContact O-N 3.13Å; P137-F140 VanDerWaalsContact CA-CE1 3.45Å; P137-F140 HydrophobicContact CB-CE1 4.15Å; P137-F140 HydrophobicContact CB-CE2 3.98Å; P137-F140 HydrophobicContact CB-CZ 3.64Å; P137-F140 HydrophobicContact CG-CE1 3.87Å; P137-F140 HydrophobicContact CG-CE2 4.36Å; P137-F140 HydrophobicContact CG-CZ 3.53Å; P137-F140 VanDerWaalsContact N-CE1 3.25Å; P137-N141 VanDerWaalsContact O-CB 3.29Å; P137-N141 WeakPolarHBondContact O-CB 3.42Å; P137-N141 PolarHBondContact O-N 3.5Å; P137-N141 VanDerWaalsContact O-N 3.08Å; P137-V154 HydrophobicContact CG-CG1 4.31Å; P137-V154 HydrophobicContact CG-CG2 4.19Å
138Y95.9Very high95.5Very high102 Ų10267 Ų6740%0.438%0.379SS..Hα-helixtrans-54.1-30.4172.1178.6-97000113.6A124 Y125 S136 C214A124-Y138 VanDerWaalsContact O-CB 3.23Å; A124-Y138 WeakPolarHBondContact O-CB 3.12Å; A124-Y138 PolarHBondContact O-N 2.93Å; A124-Y138 VanDerWaalsContact O-N 3.14Å; Y125-Y138 AromaticContact CD2-CD1 3.93Å; Y125-Y138 HydrophobicContact CD2-CD1 3.93Å; Y125-Y138 HydrophobicContact CG-CD1 4.27Å; S136-Y138 PolarHBondContact O-N 3.4Å; S136-Y138 VanDerWaalsContact O-N 3.12Å; Y138-C214 HydrophobicContact CD2-CB 3.97Å; Y138-C214 HydrophobicContact CE2-CB 4.5Å; Y138-C214 HydrophobicContact CG-CB 4.27Å
139K95.6Very high95.6Very high82 Ų8262.8 Ų62.836%0.35736%0.362SS..Hα-helixtrans-95.8-54.8179.7-66.8-61.6-171.2177.10112.3Y125 I133 S136 P137 N141 G142Y125-K139 HydrophobicContact CD2-CG 3.96Å; Y125-K139 HydrophobicContact CE2-CD 4.32Å; Y125-K139 VanDerWaalsContact CE2-CE 3.4Å; Y125-K139 HydrophobicContact CE2-CG 4Å; I133-K139 HydrophobicContact CG2-CB 4.07Å; S136-K139 WeakPolarHBondContact O-CA 3.46Å; S136-K139 PolarHBondContact O-N 3Å; P137-K139 PolarHBondContact O-N 3.1Å; P137-K139 VanDerWaalsContact O-N 3.13Å; K139-N141 VanDerWaalsContact C-N 3.33Å; K139-N141 PolarHBondContact O-N 3.26Å; K139-G142 PolarHBondContact O-N 2.98Å
140F96.1Very high95.6Very high8 Ų866.8 Ų66.84%0.03538%0.383CS..Hα-helixtrans-72.5-24.9-172.364.8-118.7000113.8D134 S136 P137 G145 G147 K148 V152 V154D134-F140 WeakPolarHBondContact O-CD1 3.36Å; D134-F140 VanDerWaalsContact O-CE1 3.29Å; D134-F140 WeakPolarHBondContact O-CE1 3.26Å; S136-F140 VanDerWaalsContact C-CE1 3.41Å; S136-F140 WeakPolarHBondContact O-CD1 3.37Å; S136-F140 PolarHBondContact O-N 3.42Å; P137-F140 VanDerWaalsContact CA-CE1 3.45Å; P137-F140 HydrophobicContact CB-CE1 4.15Å; P137-F140 HydrophobicContact CB-CE2 3.98Å; P137-F140 HydrophobicContact CB-CZ 3.64Å; P137-F140 HydrophobicContact CG-CE1 3.87Å; P137-F140 HydrophobicContact CG-CE2 4.36Å; P137-F140 HydrophobicContact CG-CZ 3.53Å; P137-F140 VanDerWaalsContact N-CE1 3.25Å; F140-G145 CarbonylContact O-C 3.55Å; F140-G145 WeakPolarHBondContact O-CA 3.43Å; F140-G147 WeakPolarHBondContact CB-O 3.49Å; F140-G147 WeakPolarHBondContact O-CA 3.36Å; F140-G147 PolarHBondContact O-N 3Å; F140-K148 HydrophobicContact CD2-CB 3.9Å; F140-K148 HydrophobicContact CE1-CG 4.38Å; F140-K148 HydrophobicContact CE2-CB 3.52Å; F140-K148 HydrophobicContact CE2-CG 3.9Å; F140-K148 HydrophobicContact CZ-CB 3.91Å; F140-K148 HydrophobicContact CZ-CG 3.75Å; F140-V152 HydrophobicContact CE1-CG1 4.32Å; F140-V154 HydrophobicContact CE2-CG2 4.46Å; F140-V154 HydrophobicContact CZ-CG2 3.82Å
141N96.1Very high95.6Very high103 Ų10361.7 Ų61.755%0.55136%0.358SS*.THydrogen-bonded Turntrans-91.1-7.6169-65.2-28.8000112.4P137 K139P137-N141 VanDerWaalsContact O-CB 3.29Å; P137-N141 WeakPolarHBondContact O-CB 3.42Å; P137-N141 PolarHBondContact O-N 3.5Å; P137-N141 VanDerWaalsContact O-N 3.08Å; K139-N141 VanDerWaalsContact C-N 3.33Å; K139-N141 PolarHBondContact O-N 3.26Å
142G91.8Very high95.7Very high30 Ų3060.1 Ų60.131%0.30935%0.347SS..SBendtrans-81.6178.8-178.700000113K139 G144 G145K139-G142 PolarHBondContact O-N 2.98Å; G142-G144 PolarHBondContact O-N 2.48Å; G142-G144 VanDerWaalsContact O-N 3.16Å; G142-G145 PolarHBondContact O-N 3.45Å
143K89.3Confident95.7Very high225 Ų22560.6 Ų60.698%0.97835%0.349SS*.THydrogen-bonded Turntrans-58.2120.4177.4-177.6176.6179.9174.80110.9G145K143-G145 VanDerWaalsContact C-N 3.35Å
144G89.6Confident95.8Very high80 Ų8059.5 Ų59.583%0.82535%0.345SS*.THydrogen-bonded Turntrans84.92.2-179.900000114.7G142G142-G144 PolarHBondContact O-N 2.48Å; G142-G144 VanDerWaalsContact O-N 3.16Å
145G92.3Very high95.9Very high36 Ų3656.4 Ų56.437%0.37133%0.328SS..  trans-73.7152.6172.100000112.5F140 G142 K143F140-G145 CarbonylContact O-C 3.55Å; F140-G145 WeakPolarHBondContact O-CA 3.43Å; G142-G145 PolarHBondContact O-N 3.45Å; K143-G145 VanDerWaalsContact C-N 3.35Å
146S92.6Very high95.9Very high130 Ų13057.7 Ų57.791%0.90934%0.337SS*.  trans-95.811.7179.7-56.30000113.5
147G95.3Very high95.9Very high32 Ų3258.1 Ų58.133%0.3334%0.339SS..  trans80171.6-171.100000113.1F140F140-G147 WeakPolarHBondContact CB-O 3.49Å; F140-G147 WeakPolarHBondContact O-CA 3.36Å; F140-G147 PolarHBondContact O-N 3Å
148K96.6Very high95.9Very high88 Ų8858 Ų5838%0.38334%0.339SS..  trans-68.1128-176-173.2-168.365.156.70111.5F140 V152 V154F140-K148 HydrophobicContact CD2-CB 3.9Å; F140-K148 HydrophobicContact CE1-CG 4.38Å; F140-K148 HydrophobicContact CE2-CB 3.52Å; F140-K148 HydrophobicContact CE2-CG 3.9Å; F140-K148 HydrophobicContact CZ-CB 3.91Å; F140-K148 HydrophobicContact CZ-CG 3.75Å; K148-V152 HydrophobicContact CD-CG1 4.45Å; K148-V152 WeakPolarHBondContact CD-O 3.45Å; K148-V152 WeakPolarHBondContact CE-O 3.49Å; K148-V152 HydrophobicContact CG-CB 3.96Å; K148-V152 HydrophobicContact CG-CG1 3.99Å; K148-V152 PolarHBondContact NZ-O 3.47Å; K148-V154 HydrophobicContact CD-CG2 3.56Å; K148-V154 HydrophobicContact CG-CG2 4.21Å
149P97.5Very high96Very high27 Ų2753.6 Ų53.618%0.17532%0.322CS..  trans-60.9161.2171.2-23.434.5000113.7D134 H151 V152D134-P149 HydrophobicContact CB-CG 3.86Å; D134-P149 WeakPolarHBondContact O-CD 3.44Å; P149-H151 VanDerWaalsContact C-N 3.33Å; P149-H151 PolarHBondContact O-N 3.11Å; P149-V152 HydrophobicContact CB-CG2 4.18Å; P149-V152 HydrophobicContact CG-CG2 4.3Å; P149-V152 PolarHBondContact O-N 3.17Å
150D97.5Very high96.1Very high138 Ų13850.3 Ų50.374%0.73831%0.309SS*.THydrogen-bonded Turntrans-65.9-32.6-177.1-76.5-16.3000114.1V152D150-V152 VanDerWaalsContact C-N 3.26Å; D150-V152 PolarHBondContact O-N 2.9Å
151H98.1Very high96.1Very high51 Ų5150 Ų5024%0.23631%0.308CS..THydrogen-bonded Turntrans-83.7-1.3-17968.4-86.5000113.3E117 V118 P149E117-H151 CarbonylContact C-O 3.06Å; E117-H151 VanDerWaalsContact CA-O 3.28Å; E117-H151 WeakPolarHBondContact CA-O 3.29Å; E117-H151 WeakPolarHBondContact OE2-CA 3.35Å; V118-H151 PolarHBondContact N-O 3.03Å; P149-H151 VanDerWaalsContact C-N 3.33Å; P149-H151 PolarHBondContact O-N 3.11Å
152V98.6Very high96.1Very high0 Ų046.7 Ų46.70%029%0.287CS..EExtended strand (participates in β ladder)trans-106.4133.6-179179.60000109.5V118 V120 I135 F140 K148 P149 D150V118-V152 CarbonylContact O-C 3.49Å; V118-V152 WeakPolarHBondContact O-CA 3.44Å; V120-V152 HydrophobicContact CG2-CG1 3.84Å; I135-V152 HydrophobicContact CG2-CG2 3.95Å; F140-V152 HydrophobicContact CE1-CG1 4.32Å; K148-V152 HydrophobicContact CD-CG1 4.45Å; K148-V152 WeakPolarHBondContact CD-O 3.45Å; K148-V152 WeakPolarHBondContact CE-O 3.49Å; K148-V152 HydrophobicContact CG-CB 3.96Å; K148-V152 HydrophobicContact CG-CG1 3.99Å; K148-V152 PolarHBondContact NZ-O 3.47Å; P149-V152 HydrophobicContact CB-CG2 4.18Å; P149-V152 HydrophobicContact CG-CG2 4.3Å; P149-V152 PolarHBondContact O-N 3.17Å; D150-V152 VanDerWaalsContact C-N 3.26Å; D150-V152 PolarHBondContact O-N 2.9Å
153Y98.8Very high96.3Very high10 Ų1046.1 Ų46.14%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-120.7138.3178.2-70-107.9000108E117 V118 I119 V120 L192 Q195 I196 K199E117-Y153 HydrophobicContact CB-CD2 4.48Å; E117-Y153 HydrophobicContact CB-CE2 4.2Å; E117-Y153 HydrophobicContact CG-CE2 4.38Å; E117-Y153 WeakPolarHBondContact OE2-CE2 3.37Å; V118-Y153 PolarHBondContact O-N 3.1Å; I119-Y153 CarbonylContact C-O 3.52Å; I119-Y153 WeakPolarHBondContact CA-O 3.31Å; V120-Y153 PolarHBondContact N-O 2.98Å; Y153-L192 HydrophobicContact CD1-CD2 4.09Å; Y153-Q195 HydrophobicContact CE1-CB 4.48Å; Y153-Q195 HydrophobicContact CE1-CG 4.14Å; Y153-I196 HydrophobicContact CD1-CD1 4.45Å; Y153-I196 HydrophobicContact CD1-CG1 4.11Å; Y153-I196 HydrophobicContact CD2-CD1 3.85Å; Y153-I196 HydrophobicContact CD2-CG1 3.88Å; Y153-I196 HydrophobicContact CE1-CG1 3.77Å; Y153-I196 HydrophobicContact CE2-CD1 4.04Å; Y153-I196 HydrophobicContact CE2-CG1 3.57Å; Y153-I196 HydrophobicContact CG-CD1 4.09Å; Y153-I196 HydrophobicContact CG-CG1 4.16Å; Y153-I196 VanDerWaalsContact CZ-CG1 3.5Å; Y153-K199 WeakPolarHBondContact OH-CD 3.29Å; Y153-K199 PolarHBondContact OH-NZ 3.48Å
154V98.7Very high96.6Very high41 Ų4141 Ų4125%0.24826%0.259CS..EExtended strand (participates in β ladder)trans-115.9111.9-172.81800000109.3V120 D122 P137 F140 K148V120-V154 HydrophobicContact CG2-CG2 3.98Å; V120-V154 CarbonylContact O-C 3.59Å; V120-V154 WeakPolarHBondContact O-CA 3.49Å; D122-V154 HydrophobicContact CB-CG1 3.6Å; P137-V154 HydrophobicContact CG-CG1 4.31Å; P137-V154 HydrophobicContact CG-CG2 4.19Å; F140-V154 HydrophobicContact CE2-CG2 4.46Å; F140-V154 HydrophobicContact CZ-CG2 3.82Å; K148-V154 HydrophobicContact CD-CG2 3.56Å; K148-V154 HydrophobicContact CG-CG2 4.21Å
155A98.8Very high97Very high0 Ų040.4 Ų40.40%023%0.232CC..EExtended strand (participates in β ladder)trans-77.2142.316900000109.7I119 V120 D122 C157 V189 L192I119-A155 HydrophobicContact CG2-CB 4.15Å; V120-A155 PolarHBondContact O-N 2.98Å; D122-A155 PolarHBondContact N-O 3.15Å; A155-C157 PolarHBondContact O-N 3.26Å; A155-V189 HydrophobicContact CB-CG2 3.81Å; A155-L192 HydrophobicContact CB-CD1 3.9Å
156P98.4Very high97.1Very high27 Ų2745.3 Ų45.318%0.17524%0.239CC..PPolyproline II helixtrans-60.5138.8177.624.4-31.6000110.8P158 K164 Y185 E188P156-P158 WeakPolarHBondContact O-CD 3.21Å; P156-K164 HydrophobicContact CB-CB 4.37Å; P156-K164 HydrophobicContact CG-CD 4.34Å; P156-Y185 HydrophobicContact CB-CD1 4.35Å; P156-Y185 HydrophobicContact CB-CE1 4.19Å; P156-Y185 HydrophobicContact CG-CD1 4.08Å; P156-Y185 HydrophobicContact CG-CE1 4.35Å; P156-E188 HydrophobicContact CG-CB 3.89Å; P156-E188 HydrophobicContact CG-CG 3.72Å
157C98.3Very high97.4Very high8 Ų839.7 Ų39.75%0.05420%0.199CC..PPolyproline II helixtrans-56.2125.3173.3179.80000109.5V121 D122 A155 D159 Y185V121-C157 HydrophobicContact CG1-CB 4.29Å; D122-C157 HydrophobicContact CB-CB 4.26Å; A155-C157 PolarHBondContact O-N 3.26Å; C157-D159 PolarHBondContact O-N 2.81Å; C157-Y185 WeakPolarHBondContact O-CE1 3.49Å
158P98.2Very high97.3Very high0 Ų041.2 Ų41.20%020%0.203CC..  trans-75.351.5-178.934.1-38.4000112.2P156 Y185 I212 P220 Y224P156-P158 WeakPolarHBondContact O-CD 3.21Å; P158-Y185 HydrophobicContact CB-CD1 4.06Å; P158-Y185 HydrophobicContact CB-CD2 4.05Å; P158-Y185 HydrophobicContact CB-CG 3.77Å; P158-I212 HydrophobicContact CG-CD1 3.82Å; P158-P220 HydrophobicContact CG-CB 4.28Å; P158-P220 HydrophobicContact CG-CG 4.47Å; P158-Y224 HydrophobicContact CB-CD2 4.2Å; P158-Y224 HydrophobicContact CB-CE2 4.18Å; P158-Y224 HydrophobicContact CB-CG 4.43Å; P158-Y224 HydrophobicContact CG-CD1 4.35Å; P158-Y224 HydrophobicContact CG-CE1 4.08Å; P158-Y224 HydrophobicContact CG-CE2 4.38Å
159D97.7Very high97.1Very high9 Ų940.6 Ų40.65%0.04821%0.207CC..  trans-89.8103.6176.6-174.1-7.7000109.8C157 Y161 R162 G163 Y185 V218 R357C157-D159 PolarHBondContact O-N 2.81Å; D159-Y161 PolarHBondContact O-N 3.36Å; D159-Y161 VanDerWaalsContact O-N 3.16Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.46Å; D159-Y161 VanDerWaalsContact OD1-CB 3.3Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.35Å; D159-Y161 PolarHBondContact OD1-N 3.24Å; D159-R162 PolarHBondContact OD1-N 2.98Å; D159-R162 WeakPolarHBondContact OD2-CB 3.25Å; D159-R162 PolarHBondContact OD2-N 3.13Å; D159-G163 WeakPolarHBondContact O-CA 3.39Å; D159-G163 PolarHBondContact O-N 3.37Å; D159-Y185 PolarHBondContact O-OH 2.95Å; D159-Y185 VanDerWaalsContact O-OH 3.1Å; D159-V218 HydrophobicContact CB-CB 4.48Å; D159-V218 HydrophobicContact CB-CG1 3.79Å; D159-V218 HydrophobicContact CB-CG2 3.83Å; D159-R357 IonicContact OD1-NH1 3.52Å; D159-R357 IonicContact OD2-NH1 2.78Å
160V97.6Very high96.8Very high14 Ų1445.6 Ų45.69%0.08523%0.232CC..THydrogen-bonded Turntrans-68.3-7.9176.8-61.60000113.6R166 L167 L172 L178 M181 Y185 P221V160-R166 CarbonylContact O-C 3.56Å; V160-R166 WeakPolarHBondContact O-CA 3.4Å; V160-L167 HydrophobicContact CB-CD1 3.94Å; V160-L167 HydrophobicContact CB-CG 4.11Å; V160-L167 HydrophobicContact CG1-CD1 4.19Å; V160-L167 HydrophobicContact CG2-CD1 4.3Å; V160-L167 PolarHBondContact O-N 3.03Å; V160-L172 HydrophobicContact CG2-CD2 3.91Å; V160-L178 HydrophobicContact CG1-CD2 4.22Å; V160-L178 HydrophobicContact CG2-CD2 4.03Å; V160-M181 HydrophobicContact CG1-CB 3.73Å; V160-M181 HydrophobicContact CG1-CG 3.88Å; V160-Y185 HydrophobicContact CG1-CE2 4.46Å; V160-P221 HydrophobicContact CG1-CB 4.35Å; V160-P221 HydrophobicContact CG1-CG 4.36Å
161Y97.2Very high96.8Very high1 Ų142.5 Ų42.50%0.00421%0.212CC..THydrogen-bonded Turntrans-96.4-45.3175.7-172.4-113.3000113.2D159 L172 G354 H355 D366 R374D159-Y161 PolarHBondContact O-N 3.36Å; D159-Y161 VanDerWaalsContact O-N 3.16Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.46Å; D159-Y161 VanDerWaalsContact OD1-CB 3.3Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.35Å; D159-Y161 PolarHBondContact OD1-N 3.24Å; Y161-L172 HydrophobicContact CD2-CD1 3.82Å; Y161-L172 HydrophobicContact CD2-CD2 4.18Å; Y161-L172 HydrophobicContact CE2-CD1 4.35Å; Y161-G354 WeakPolarHBondContact OH-CA 3.45Å; Y161-H355 HydrophobicContact CD1-CB 3.79Å; Y161-H355 HydrophobicContact CD2-CB 3.81Å; Y161-H355 HydrophobicContact CE1-CB 3.79Å; Y161-H355 HydrophobicContact CE2-CB 3.78Å; Y161-H355 HydrophobicContact CG-CB 3.83Å; Y161-H355 AromaticContact CG-ND1 3.74Å; Y161-D366 HydrophobicContact CD1-CB 4.35Å; Y161-D366 HydrophobicContact CE1-CB 4.08Å; Y161-R374 HydrophobicContact CE2-CG 4.34Å; Y161-R374 VanDerWaalsContact O-CD 3.31Å; Y161-R374 WeakPolarHBondContact O-CD 3.47Å; Y161-R374 PolarHBondContact O-NH1 3.04Å
162R95.4Very high96.6Very high34 Ų3440.6 Ų40.613%0.12820%0.204CC..THydrogen-bonded Turntrans-112.7-22.3-178-63.9-174.7162.7-75.6-8.9115.1D159 R166 D366 R374 N403D159-R162 PolarHBondContact OD1-N 2.98Å; D159-R162 WeakPolarHBondContact OD2-CB 3.25Å; D159-R162 PolarHBondContact OD2-N 3.13Å; R162-R166 PolarHBondContact O-NE 3.12Å; R162-R166 PolarHBondContact O-NH2 3.34Å; R162-D366 WeakPolarHBondContact CD-OD2 3.37Å; R162-D366 IonicContact CZ-OD1 2.79Å; R162-D366 VanDerWaalsContact CZ-OD1 3.27Å; R162-D366 IonicContact CZ-OD2 3.7Å; R162-D366 VanDerWaalsContact NE-CG 3.31Å; R162-D366 IonicContact NE-OD1 3.71Å; R162-D366 PolarHBondContact NE-OD1 3.32Å; R162-D366 VanDerWaalsContact NE-OD1 3.11Å; R162-D366 IonicContact NE-OD2 3.48Å; R162-D366 PolarHBondContact NE-OD2 3.16Å; R162-D366 IonicContact NH2-OD1 2.68Å; R162-D366 PolarHBondContact NH2-OD1 3.12Å; R162-D366 IonicContact NH2-OD2 2.72Å; R162-R374 VanDerWaalsContact CZ-O 3.31Å; R162-R374 PolarHBondContact NH1-O 3.23Å; R162-R374 PolarHBondContact NH2-O 3.48Å; R162-N403 PolarHBondContact NH2-ND2 3.27Å; R162-N403 VanDerWaalsContact NH2-ND2 3.19Å
163G95.7Very high96.4Very high18 Ų1847 Ų4719%0.18624%0.238CC..SBendtrans-69-168-168.200000114.3D159 W165 R166 Y185D159-G163 WeakPolarHBondContact O-CA 3.39Å; D159-G163 PolarHBondContact O-N 3.37Å; G163-W165 VanDerWaalsContact C-N 3.34Å; G163-W165 PolarHBondContact O-N 2.67Å; G163-R166 VanDerWaalsContact O-CG 3.28Å; G163-R166 WeakPolarHBondContact O-CG 3.22Å; G163-R166 PolarHBondContact O-NE 3.41Å; G163-Y185 VanDerWaalsContact C-OH 3.26Å; G163-Y185 WeakPolarHBondContact CA-OH 3.36Å
164K96.6Very high96.3Very high118 Ų11848.6 Ų48.651%0.51325%0.247SC..SBendtrans-56.9-44.9-175.5-173.4177.1-176.3-175.80112.3P156 Y185 E188P156-K164 HydrophobicContact CB-CB 4.37Å; P156-K164 HydrophobicContact CG-CD 4.34Å; K164-Y185 HydrophobicContact CB-CE1 4.13Å; K164-Y185 PolarHBondContact N-OH 3.19Å; K164-E188 IonicContact NZ-OE1 3.29Å; K164-E188 PolarHBondContact NZ-OE1 2.96Å; K164-E188 IonicContact NZ-OE2 3.61Å; K164-E188 PolarHBondContact NZ-OE2 3.46Å
165W96.9Very high96.1Very high66 Ų6654.3 Ų54.325%0.2526%0.264CS..SBendtrans-112.2120.2173-59.9-79.5000110G163 M181 K184 Y185 E188G163-W165 VanDerWaalsContact C-N 3.34Å; G163-W165 PolarHBondContact O-N 2.67Å; W165-M181 HydrophobicContact CB-SD 3.59Å; W165-M181 VanDerWaalsContact CB-SD 3.59Å; W165-K184 HydrophobicContact CD2-CB 4.12Å; W165-K184 HydrophobicContact CE3-CB 4.11Å; W165-K184 HydrophobicContact CG-CD 4.33Å; W165-K184 HydrophobicContact CH2-CB 4.29Å; W165-K184 WeakPolarHBondContact CH2-O 3.46Å; W165-K184 HydrophobicContact CZ2-CB 4.4Å; W165-K184 HydrophobicContact CZ3-CB 4.21Å; W165-K184 WeakPolarHBondContact CZ3-O 3.47Å; W165-Y185 HydrophobicContact CB-CE2 4.2Å; W165-Y185 AromaticContact CE3-CD1 3.69Å; W165-Y185 HydrophobicContact CE3-CD1 3.69Å; W165-Y185 HydrophobicContact CE3-CD2 4.01Å; W165-Y185 AromaticContact CE3-CE1 3.63Å; W165-Y185 HydrophobicContact CE3-CE1 3.63Å; W165-Y185 AromaticContact CE3-CE2 3.96Å; W165-Y185 HydrophobicContact CE3-CE2 3.96Å; W165-Y185 AromaticContact CE3-CG 3.88Å; W165-Y185 HydrophobicContact CE3-CG 3.88Å; W165-Y185 AromaticContact CE3-CZ 3.77Å; W165-Y185 AromaticContact CZ3-CD1 3.71Å; W165-Y185 HydrophobicContact CZ3-CD1 3.71Å; W165-Y185 HydrophobicContact CZ3-CE1 4.02Å; W165-Y185 HydrophobicContact CZ3-CG 4Å; W165-Y185 PolarHBondContact N-OH 2.56Å; W165-Y185 PolarHBondContact O-OH 3Å; W165-E188 HydrophobicContact CH2-CG 3.34Å; W165-E188 WeakPolarHBondContact CH2-OE1 2.93Å; W165-E188 HydrophobicContact CZ3-CG 3.64Å
166R95.5Very high96Very high139 Ų13960.3 Ų60.353%0.52530%0.296SS..  trans-109.1133.3-173.5-62.8-179.9-173.6178.3-0.6109.9V160 R162 G163V160-R166 CarbonylContact O-C 3.56Å; V160-R166 WeakPolarHBondContact O-CA 3.4Å; R162-R166 PolarHBondContact O-NE 3.12Å; R162-R166 PolarHBondContact O-NH2 3.34Å; G163-R166 VanDerWaalsContact O-CG 3.28Å; G163-R166 WeakPolarHBondContact O-CG 3.22Å; G163-R166 PolarHBondContact O-NE 3.41Å
167L97.1Very high96Very high12 Ų1260 Ų606%0.06330%0.295CS..  trans-87.5147.8166.8-66.2176.6000109.9V160 K171 L172 L178 M181 R374V160-L167 HydrophobicContact CB-CD1 3.94Å; V160-L167 HydrophobicContact CB-CG 4.11Å; V160-L167 HydrophobicContact CG1-CD1 4.19Å; V160-L167 HydrophobicContact CG2-CD1 4.3Å; V160-L167 PolarHBondContact O-N 3.03Å; L167-K171 HydrophobicContact CB-CB 4.32Å; L167-K171 WeakPolarHBondContact CD1-O 3.39Å; L167-L172 HydrophobicContact CB-CD2 4.14Å; L167-L178 HydrophobicContact CD1-CD2 4.09Å; L167-M181 HydrophobicContact CD1-CG 3.96Å; L167-M181 HydrophobicContact CD2-CE 4.24Å; L167-M181 HydrophobicContact CD2-CG 3.78Å; L167-M181 HydrophobicContact CD2-SD 4.14Å; L167-M181 HydrophobicContact CG-CG 3.81Å; L167-R374 PolarHBondContact O-NH1 3.36Å; L167-R374 VanDerWaalsContact O-NH1 3.08Å; L167-R374 PolarHBondContact O-NH2 2.99Å
168P94.9Very high96Very high65 Ų6561.3 Ų61.342%0.42230%0.301SS..  trans-64.5155.5165.731.7-35.2000109.8D170 K171 L172P168-D170 WeakPolarHBondContact CB-OD1 3.32Å; P168-D170 PolarHBondContact O-N 3.29Å; P168-K171 HydrophobicContact CG-CB 3.85Å; P168-K171 HydrophobicContact CG-CG 3.72Å; P168-K171 PolarHBondContact O-N 3.12Å; P168-L172 PolarHBondContact O-N 3.13Å
169T90.9Very high95.9Very high75 Ų7564.1 Ų64.146%0.4632%0.319SS..G310 helixtrans-59.8-33.7-168.6-55.80000113.2K171 L172T169-K171 PolarHBondContact O-N 2.86Å; T169-L172 HydrophobicContact CG2-CD1 4.2Å
170D92.8Very high95.9Very high132 Ų13268.6 Ų68.671%0.70634%0.339SS*.G310 helixtrans-73.6-9.5177.463.6-43000114P168P168-D170 WeakPolarHBondContact CB-OD1 3.32Å; P168-D170 PolarHBondContact O-N 3.29Å
171K96.3Very high96Very high73 Ų7368.4 Ų68.432%0.31734%0.338SS..G310 helixtrans-110.73.2179.1-67.3-69.9-175168.10114L167 P168 T169 D173 D174L167-K171 HydrophobicContact CB-CB 4.32Å; L167-K171 WeakPolarHBondContact CD1-O 3.39Å; P168-K171 HydrophobicContact CG-CB 3.85Å; P168-K171 HydrophobicContact CG-CG 3.72Å; P168-K171 PolarHBondContact O-N 3.12Å; T169-K171 PolarHBondContact O-N 2.86Å; K171-D173 PolarHBondContact O-N 3.08Å; K171-D174 HydrophobicContact CB-CB 4.2Å; K171-D174 HydrophobicContact CD-CB 3.59Å; K171-D174 IonicContact NZ-OD1 2.79Å; K171-D174 PolarHBondContact NZ-OD1 3.44Å; K171-D174 IonicContact NZ-OD2 3.83Å; K171-D174 WeakPolarHBondContact O-CB 3.38Å; K171-D174 PolarHBondContact O-N 2.74Å; K171-D174 VanDerWaalsContact O-N 3.13Å
172L95.3Very high96Very high11 Ų1168.4 Ų68.46%0.05834%0.337CS..THydrogen-bonded Turntrans-64-24.4-178.6-69.2169.8000113.5V160 Y161 L167 P168 T169V160-L172 HydrophobicContact CG2-CD2 3.91Å; Y161-L172 HydrophobicContact CD2-CD1 3.82Å; Y161-L172 HydrophobicContact CD2-CD2 4.18Å; Y161-L172 HydrophobicContact CE2-CD1 4.35Å; L167-L172 HydrophobicContact CB-CD2 4.14Å; P168-L172 PolarHBondContact O-N 3.13Å; T169-L172 HydrophobicContact CG2-CD1 4.2Å
173D93.3Very high96.2Very high133 Ų13368.9 Ų68.971%0.71135%0.349SS*.THydrogen-bonded Turntrans-108.86.6176.7-60.3-48.5000112.7K171 R175K171-D173 PolarHBondContact O-N 3.08Å; D173-R175 PolarHBondContact O-N 3.33Å
174D96.1Very high96.3Very high45 Ų4571.7 Ų71.724%0.24136%0.356CS..  trans-81.2114.8-177.9180104.8000110.4K171 D176 S177 L178K171-D174 HydrophobicContact CB-CB 4.2Å; K171-D174 HydrophobicContact CD-CB 3.59Å; K171-D174 IonicContact NZ-OD1 2.79Å; K171-D174 PolarHBondContact NZ-OD1 3.44Å; K171-D174 IonicContact NZ-OD2 3.83Å; K171-D174 WeakPolarHBondContact O-CB 3.38Å; K171-D174 PolarHBondContact O-N 2.74Å; K171-D174 VanDerWaalsContact O-N 3.13Å; D174-D176 PolarHBondContact O-N 2.68Å; D174-S177 PolarHBondContact O-N 3.02Å; D174-S177 VanDerWaalsContact OD2-CB 3.23Å; D174-S177 WeakPolarHBondContact OD2-CB 3.36Å; D174-S177 PolarHBondContact OD2-N 3.37Å; D174-S177 PolarHBondContact OD2-OG 3.14Å; D174-L178 WeakPolarHBondContact O-CG 3.17Å; D174-L178 PolarHBondContact O-N 2.99Å
175R95.2Very high96.4Very high160 Ų16066 Ų6660%0.60433%0.331SS*.Hα-helixtrans-60.1-42.4-170.8-167.6-177-176.8-150.7-0.9113.7D173 L178 T179 E222D173-R175 PolarHBondContact O-N 3.33Å; R175-L178 PolarHBondContact O-N 3.05Å; R175-T179 WeakPolarHBondContact O-CB 3.12Å; R175-T179 PolarHBondContact O-N 2.86Å; R175-T179 PolarHBondContact O-OG1 3.43Å; R175-E222 VanDerWaalsContact CG-OE2 3.25Å; R175-E222 WeakPolarHBondContact CG-OE2 3.06Å; R175-E222 IonicContact CZ-OE1 3.6Å; R175-E222 IonicContact CZ-OE2 3.87Å; R175-E222 IonicContact NE-OE1 3.01Å; R175-E222 PolarHBondContact NE-OE1 2.84Å; R175-E222 IonicContact NE-OE2 2.85Å; R175-E222 PolarHBondContact NE-OE2 2.59Å; R175-E222 IonicContact NH2-OE1 2.73Å; R175-E222 PolarHBondContact NH2-OE1 2.77Å; R175-E222 IonicContact NH2-OE2 3.11Å
176D97.2Very high96.5Very high126 Ų12662.9 Ų62.967%0.67432%0.319SS*.Hα-helixtrans-66.6-44-178.9-66-19.6000110.2D174 L178 T179 E180D174-D176 PolarHBondContact O-N 2.68Å; D176-L178 PolarHBondContact O-N 2.89Å; D176-T179 PolarHBondContact O-N 2.98Å; D176-E180 PolarHBondContact O-N 2.84Å
177S97.8Very high96.6Very high20 Ų2061.1 Ų61.114%0.1432%0.315CS..Hα-helixtrans-61.5-42.5175.1-56.50000111.9D174 E180 M181D174-S177 PolarHBondContact O-N 3.02Å; D174-S177 VanDerWaalsContact OD2-CB 3.23Å; D174-S177 WeakPolarHBondContact OD2-CB 3.36Å; D174-S177 PolarHBondContact OD2-N 3.37Å; D174-S177 PolarHBondContact OD2-OG 3.14Å; S177-E180 PolarHBondContact O-N 2.82Å; S177-M181 VanDerWaalsContact O-CG 3.32Å; S177-M181 WeakPolarHBondContact O-CG 3.39Å; S177-M181 PolarHBondContact O-N 3.48Å
178L97.5Very high96.7Very high36 Ų3662.2 Ų62.219%0.18832%0.32CS..Hα-helixtrans-63.1-45.7176.4-72.8170.6000111.4V160 L167 D174 R175 D176 E180 M181 G182 P221V160-L178 HydrophobicContact CG1-CD2 4.22Å; V160-L178 HydrophobicContact CG2-CD2 4.03Å; L167-L178 HydrophobicContact CD1-CD2 4.09Å; D174-L178 WeakPolarHBondContact O-CG 3.17Å; D174-L178 PolarHBondContact O-N 2.99Å; R175-L178 PolarHBondContact O-N 3.05Å; D176-L178 PolarHBondContact O-N 2.89Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 2.86Å; L178-M181 PolarHBondContact O-N 3Å; L178-M181 VanDerWaalsContact O-N 3.15Å; L178-G182 PolarHBondContact O-N 2.86Å; L178-P221 HydrophobicContact CB-CB 4.26Å; L178-P221 HydrophobicContact CD2-CB 4.05Å; L178-P221 WeakPolarHBondContact O-CB 3.16Å
179T97.5Very high96.9Very high60 Ų6059.1 Ų59.137%0.36830%0.3SS..Hα-helixtrans-59.7-43.2178.1-57.70000111.2R175 D176 G182 A183R175-T179 WeakPolarHBondContact O-CB 3.12Å; R175-T179 PolarHBondContact O-N 2.86Å; R175-T179 PolarHBondContact O-OG1 3.43Å; D176-T179 PolarHBondContact O-N 2.98Å; T179-G182 PolarHBondContact O-N 2.98Å; T179-A183 PolarHBondContact O-N 2.94Å; T179-A183 VanDerWaalsContact O-N 3.09Å
180E98.1Very high97.3Very high102 Ų10258.1 Ų58.148%0.47729%0.29SS..Hα-helixtrans-61.6-44.4174.9-168.8-164.3147.200111.8D176 S177 L178 G182 A183 K184D176-E180 PolarHBondContact O-N 2.84Å; S177-E180 PolarHBondContact O-N 2.82Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 2.86Å; E180-G182 VanDerWaalsContact C-N 3.33Å; E180-G182 PolarHBondContact O-N 3.44Å; E180-A183 PolarHBondContact O-N 2.92Å; E180-K184 PolarHBondContact O-N 3.23Å; E180-K184 VanDerWaalsContact O-N 3.11Å; E180-K184 WeakPolarHBondContact OE1-CE 3.38Å; E180-K184 IonicContact OE1-NZ 2.62Å; E180-K184 PolarHBondContact OE1-NZ 3.33Å
181M98.3Very high97.6Very high11 Ų1155.3 Ų55.35%0.05427%0.274CS..Hα-helixtrans-65-38.1176.7-67.6-50100.800111.7V160 W165 L167 S177 L178 A183 K184 Y185 P221V160-M181 HydrophobicContact CG1-CB 3.73Å; V160-M181 HydrophobicContact CG1-CG 3.88Å; W165-M181 HydrophobicContact CB-SD 3.59Å; W165-M181 VanDerWaalsContact CB-SD 3.59Å; L167-M181 HydrophobicContact CD1-CG 3.96Å; L167-M181 HydrophobicContact CD2-CE 4.24Å; L167-M181 HydrophobicContact CD2-CG 3.78Å; L167-M181 HydrophobicContact CD2-SD 4.14Å; L167-M181 HydrophobicContact CG-CG 3.81Å; S177-M181 VanDerWaalsContact O-CG 3.32Å; S177-M181 WeakPolarHBondContact O-CG 3.39Å; S177-M181 PolarHBondContact O-N 3.48Å; L178-M181 PolarHBondContact O-N 3Å; L178-M181 VanDerWaalsContact O-N 3.15Å; M181-A183 PolarHBondContact O-N 3.43Å; M181-K184 HydrophobicContact CE-CD 3.79Å; M181-K184 PolarHBondContact O-N 3.18Å; M181-K184 HydrophobicContact SD-CD 4.27Å; M181-Y185 HydrophobicContact CB-CD2 4.41Å; M181-Y185 VanDerWaalsContact O-CD2 3.28Å; M181-Y185 WeakPolarHBondContact O-CD2 3.39Å; M181-Y185 PolarHBondContact O-N 3.07Å; M181-P221 HydrophobicContact CB-CG 4.47Å
182G98.2Very high97.7Very high0 Ų052.9 Ų52.90%026%0.264CS..Hα-helixtrans-59.1-44.7175.700000112.6L178 T179 E180 A186L178-G182 PolarHBondContact O-N 2.86Å; T179-G182 PolarHBondContact O-N 2.98Å; E180-G182 VanDerWaalsContact C-N 3.33Å; E180-G182 PolarHBondContact O-N 3.44Å; G182-A186 VanDerWaalsContact O-CB 3.22Å; G182-A186 WeakPolarHBondContact O-CB 3.38Å; G182-A186 PolarHBondContact O-N 2.9Å
183A98.5Very high97.9Very high44 Ų4452.6 Ų52.636%0.36426%0.263SS..Hα-helixtrans-61.2-45.2173.500000112.3T179 E180 M181 A186 F187T179-A183 PolarHBondContact O-N 2.94Å; T179-A183 VanDerWaalsContact O-N 3.09Å; E180-A183 PolarHBondContact O-N 2.92Å; M181-A183 PolarHBondContact O-N 3.43Å; A183-A186 PolarHBondContact O-N 2.78Å; A183-F187 WeakPolarHBondContact O-CB 3.42Å; A183-F187 PolarHBondContact O-N 2.91Å
184K98.6Very high98.1Very high77 Ų7750.1 Ų50.134%0.33525%0.25SC..Hα-helixtrans-61.5-48.5178.9-76.1174.6172.21680112.7W165 E180 M181 F187W165-K184 HydrophobicContact CD2-CB 4.12Å; W165-K184 HydrophobicContact CE3-CB 4.11Å; W165-K184 HydrophobicContact CG-CD 4.33Å; W165-K184 HydrophobicContact CH2-CB 4.29Å; W165-K184 WeakPolarHBondContact CH2-O 3.46Å; W165-K184 HydrophobicContact CZ2-CB 4.4Å; W165-K184 HydrophobicContact CZ3-CB 4.21Å; W165-K184 WeakPolarHBondContact CZ3-O 3.47Å; E180-K184 PolarHBondContact O-N 3.23Å; E180-K184 VanDerWaalsContact O-N 3.11Å; E180-K184 WeakPolarHBondContact OE1-CE 3.38Å; E180-K184 IonicContact OE1-NZ 2.62Å; E180-K184 PolarHBondContact OE1-NZ 3.33Å; M181-K184 HydrophobicContact CE-CD 3.79Å; M181-K184 PolarHBondContact O-N 3.18Å; M181-K184 HydrophobicContact SD-CD 4.27Å; K184-F187 PolarHBondContact O-N 3.03Å
185Y98.8Very high98.3Very high0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-66.2-39177.6-81.2-73000112.4P156 C157 P158 D159 V160 G163 K164 W165 M181 F187 E188P156-Y185 HydrophobicContact CB-CD1 4.35Å; P156-Y185 HydrophobicContact CB-CE1 4.19Å; P156-Y185 HydrophobicContact CG-CD1 4.08Å; P156-Y185 HydrophobicContact CG-CE1 4.35Å; C157-Y185 WeakPolarHBondContact O-CE1 3.49Å; P158-Y185 HydrophobicContact CB-CD1 4.06Å; P158-Y185 HydrophobicContact CB-CD2 4.05Å; P158-Y185 HydrophobicContact CB-CG 3.77Å; D159-Y185 PolarHBondContact O-OH 2.95Å; D159-Y185 VanDerWaalsContact O-OH 3.1Å; V160-Y185 HydrophobicContact CG1-CE2 4.46Å; G163-Y185 VanDerWaalsContact C-OH 3.26Å; G163-Y185 WeakPolarHBondContact CA-OH 3.36Å; K164-Y185 HydrophobicContact CB-CE1 4.13Å; K164-Y185 PolarHBondContact N-OH 3.19Å; W165-Y185 HydrophobicContact CB-CE2 4.2Å; W165-Y185 AromaticContact CE3-CD1 3.69Å; W165-Y185 HydrophobicContact CE3-CD1 3.69Å; W165-Y185 HydrophobicContact CE3-CD2 4.01Å; W165-Y185 AromaticContact CE3-CE1 3.63Å; W165-Y185 HydrophobicContact CE3-CE1 3.63Å; W165-Y185 AromaticContact CE3-CE2 3.96Å; W165-Y185 HydrophobicContact CE3-CE2 3.96Å; W165-Y185 AromaticContact CE3-CG 3.88Å; W165-Y185 HydrophobicContact CE3-CG 3.88Å; W165-Y185 AromaticContact CE3-CZ 3.77Å; W165-Y185 AromaticContact CZ3-CD1 3.71Å; W165-Y185 HydrophobicContact CZ3-CD1 3.71Å; W165-Y185 HydrophobicContact CZ3-CE1 4.02Å; W165-Y185 HydrophobicContact CZ3-CG 4Å; W165-Y185 PolarHBondContact N-OH 2.56Å; W165-Y185 PolarHBondContact O-OH 3Å; M181-Y185 HydrophobicContact CB-CD2 4.41Å; M181-Y185 VanDerWaalsContact O-CD2 3.28Å; M181-Y185 WeakPolarHBondContact O-CD2 3.39Å; M181-Y185 PolarHBondContact O-N 3.07Å; Y185-F187 VanDerWaalsContact C-N 3.31Å; Y185-F187 PolarHBondContact O-N 2.78Å; Y185-E188 WeakPolarHBondContact O-CB 3.43Å; Y185-E188 PolarHBondContact O-N 3.49Å
186A98.7Very high98.4Very high0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-66.2-34.917700000112.1G182 A183 E188 V189 K190 Y224 N227 V228 Y231G182-A186 VanDerWaalsContact O-CB 3.22Å; G182-A186 WeakPolarHBondContact O-CB 3.38Å; G182-A186 PolarHBondContact O-N 2.9Å; A183-A186 PolarHBondContact O-N 2.78Å; A186-E188 PolarHBondContact O-N 2.94Å; A186-V189 WeakPolarHBondContact O-CB 3.32Å; A186-V189 PolarHBondContact O-N 3.01Å; A186-K190 PolarHBondContact O-N 2.9Å; A186-Y224 HydrophobicContact CB-CD2 4.03Å; A186-Y224 HydrophobicContact CB-CE2 4.46Å; A186-N227 HydrophobicContact CB-CB 3.47Å; A186-N227 VanDerWaalsContact CB-CB 3.47Å; A186-V228 HydrophobicContact CB-CG2 3.92Å; A186-Y231 HydrophobicContact CB-CE2 4.19Å
187F98.8Very high98.5Very high101 Ų10141.3 Ų41.344%0.44322%0.221SC..Hα-helixtrans-62.1-28.6176.8-168.7-103.7000112.9A183 K184 Y185 V189 K190 I191A183-F187 WeakPolarHBondContact O-CB 3.42Å; A183-F187 PolarHBondContact O-N 2.91Å; K184-F187 PolarHBondContact O-N 3.03Å; Y185-F187 VanDerWaalsContact C-N 3.31Å; Y185-F187 PolarHBondContact O-N 2.78Å; F187-V189 VanDerWaalsContact C-N 3.28Å; F187-V189 PolarHBondContact O-N 2.75Å; F187-K190 HydrophobicContact CD2-CB 4.48Å; F187-K190 HydrophobicContact CD2-CD 4.33Å; F187-K190 HydrophobicContact CE2-CD 4.1Å; F187-K190 WeakPolarHBondContact O-CB 3.39Å; F187-K190 PolarHBondContact O-N 2.67Å; F187-K190 VanDerWaalsContact O-N 3.17Å; F187-I191 HydrophobicContact CD1-CD1 3.86Å; F187-I191 HydrophobicContact CD1-CG1 4.16Å; F187-I191 HydrophobicContact CE1-CD1 3.83Å; F187-I191 HydrophobicContact CE1-CG1 3.97Å; F187-I191 WeakPolarHBondContact O-CG1 3.05Å; F187-I191 PolarHBondContact O-N 3.28Å
188E98.8Very high98.5Very high36 Ų3645 Ų4517%0.16825%0.247CC..Hα-helixtrans-64.6-34.7172.5-62.9-80140.400111.9P156 K164 W165 Y185 A186 K190 I191 L192P156-E188 HydrophobicContact CG-CB 3.89Å; P156-E188 HydrophobicContact CG-CG 3.72Å; K164-E188 IonicContact NZ-OE1 3.29Å; K164-E188 PolarHBondContact NZ-OE1 2.96Å; K164-E188 IonicContact NZ-OE2 3.61Å; K164-E188 PolarHBondContact NZ-OE2 3.46Å; W165-E188 HydrophobicContact CH2-CG 3.34Å; W165-E188 WeakPolarHBondContact CH2-OE1 2.93Å; W165-E188 HydrophobicContact CZ3-CG 3.64Å; Y185-E188 WeakPolarHBondContact O-CB 3.43Å; Y185-E188 PolarHBondContact O-N 3.49Å; A186-E188 PolarHBondContact O-N 2.94Å; E188-K190 VanDerWaalsContact C-N 3.33Å; E188-I191 PolarHBondContact O-N 3.38Å; E188-L192 WeakPolarHBondContact O-CG 3.39Å; E188-L192 PolarHBondContact O-N 3.44Å; E188-L192 VanDerWaalsContact O-N 3.12Å
189V98.9Very high98.6Very high0 Ų048.6 Ų48.60%026%0.261CS..Hα-helixtrans-65.4-41.2173.7-178.90000110.1I119 A155 A186 F187 I191 L192 C193 F206 V228 V232I119-V189 HydrophobicContact CD1-CG1 4.21Å; I119-V189 HydrophobicContact CG2-CG1 4.38Å; A155-V189 HydrophobicContact CB-CG2 3.81Å; A186-V189 WeakPolarHBondContact O-CB 3.32Å; A186-V189 PolarHBondContact O-N 3.01Å; F187-V189 VanDerWaalsContact C-N 3.28Å; F187-V189 PolarHBondContact O-N 2.75Å; V189-I191 VanDerWaalsContact C-N 3.35Å; V189-I191 PolarHBondContact O-N 3.02Å; V189-L192 PolarHBondContact O-N 3.46Å; V189-L192 VanDerWaalsContact O-N 3.15Å; V189-C193 PolarHBondContact O-N 3.48Å; V189-C193 PolarHBondContact O-SG 3.31Å; V189-C193 VanDerWaalsContact O-SG 3.34Å; V189-F206 HydrophobicContact CG1-CD2 3.86Å; V189-F206 HydrophobicContact CG1-CE2 4.22Å; V189-F206 HydrophobicContact CG2-CD2 4.31Å; V189-F206 HydrophobicContact CG2-CE2 3.82Å; V189-V228 HydrophobicContact CB-CG2 4.07Å; V189-V228 HydrophobicContact CG1-CG1 4.15Å; V189-V228 HydrophobicContact CG1-CG2 4.4Å; V189-V228 HydrophobicContact CG2-CG2 3.75Å; V189-V232 HydrophobicContact CG1-CG2 4.11Å
190K98.8Very high98.6Very high54 Ų5449.2 Ų49.224%0.23528%0.279CS..Hα-helixtrans-57.7-45.2173173.9164.8170.234.40112.4A186 F187 E188 L192 C193 D194 Y231A186-K190 PolarHBondContact O-N 2.9Å; F187-K190 HydrophobicContact CD2-CB 4.48Å; F187-K190 HydrophobicContact CD2-CD 4.33Å; F187-K190 HydrophobicContact CE2-CD 4.1Å; F187-K190 WeakPolarHBondContact O-CB 3.39Å; F187-K190 PolarHBondContact O-N 2.67Å; F187-K190 VanDerWaalsContact O-N 3.17Å; E188-K190 VanDerWaalsContact C-N 3.33Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L192 PolarHBondContact O-N 2.86Å; K190-C193 WeakPolarHBondContact O-CB 3.4Å; K190-C193 PolarHBondContact O-N 2.6Å; K190-C193 VanDerWaalsContact O-N 3.16Å; K190-D194 VanDerWaalsContact NZ-CG 3.28Å; K190-D194 IonicContact NZ-OD1 3.88Å; K190-D194 PolarHBondContact NZ-OD1 3.2Å; K190-D194 IonicContact NZ-OD2 2.8Å; K190-D194 PolarHBondContact NZ-OD2 2.78Å; K190-D194 PolarHBondContact O-N 3.01Å; K190-Y231 HydrophobicContact CB-CD1 4.08Å; K190-Y231 HydrophobicContact CB-CD2 3.7Å; K190-Y231 HydrophobicContact CB-CE1 4.4Å; K190-Y231 HydrophobicContact CB-CE2 4.02Å; K190-Y231 HydrophobicContact CB-CG 3.74Å; K190-Y231 HydrophobicContact CD-CD1 3.79Å; K190-Y231 HydrophobicContact CD-CE1 3.71Å; K190-Y231 HydrophobicContact CD-CG 4.35Å; K190-Y231 HydrophobicContact CG-CD1 4.3Å; K190-Y231 HydrophobicContact CG-CG 4.4Å
191I98.9Very high98.6Very high73 Ų7348 Ų4837%0.37427%0.272SS..Hα-helixtrans-57.5-42.1177-67.7169.5000110.6F187 E188 V189 D194 Q195F187-I191 HydrophobicContact CD1-CD1 3.86Å; F187-I191 HydrophobicContact CD1-CG1 4.16Å; F187-I191 HydrophobicContact CE1-CD1 3.83Å; F187-I191 HydrophobicContact CE1-CG1 3.97Å; F187-I191 WeakPolarHBondContact O-CG1 3.05Å; F187-I191 PolarHBondContact O-N 3.28Å; E188-I191 PolarHBondContact O-N 3.38Å; V189-I191 VanDerWaalsContact C-N 3.35Å; V189-I191 PolarHBondContact O-N 3.02Å; I191-D194 PolarHBondContact O-N 3.29Å; I191-Q195 WeakPolarHBondContact O-CB 3.49Å; I191-Q195 PolarHBondContact O-N 3.47Å
192L98.9Very high98.6Very high21 Ų2155 Ų5511%0.1130%0.298CS..Hα-helixtrans-68.1-38.1177.8-62.6172.7000112.2I119 Y153 A155 E188 V189 K190 Q195 I196I119-L192 HydrophobicContact CD1-CB 3.82Å; I119-L192 HydrophobicContact CG1-CB 4.18Å; I119-L192 HydrophobicContact CG2-CD1 3.84Å; Y153-L192 HydrophobicContact CD1-CD2 4.09Å; A155-L192 HydrophobicContact CB-CD1 3.9Å; E188-L192 WeakPolarHBondContact O-CG 3.39Å; E188-L192 PolarHBondContact O-N 3.44Å; E188-L192 VanDerWaalsContact O-N 3.12Å; V189-L192 PolarHBondContact O-N 3.46Å; V189-L192 VanDerWaalsContact O-N 3.15Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L192 PolarHBondContact O-N 2.86Å; L192-Q195 WeakPolarHBondContact O-CB 3.38Å; L192-Q195 PolarHBondContact O-N 2.99Å; L192-I196 WeakPolarHBondContact O-CG1 3.3Å; L192-I196 PolarHBondContact O-N 3.01Å
193C98.9Very high98.6Very high6 Ų655.3 Ų55.34%0.04130%0.3CS..Hα-helixtrans-57.9-49.3171.4-67.60000111.4V189 K190 Q195 I196 A197 A235V189-C193 PolarHBondContact O-N 3.48Å; V189-C193 PolarHBondContact O-SG 3.31Å; V189-C193 VanDerWaalsContact O-SG 3.34Å; K190-C193 WeakPolarHBondContact O-CB 3.4Å; K190-C193 PolarHBondContact O-N 2.6Å; K190-C193 VanDerWaalsContact O-N 3.16Å; C193-Q195 VanDerWaalsContact C-N 3.28Å; C193-Q195 PolarHBondContact O-N 3.09Å; C193-I196 PolarHBondContact O-N 3.16Å; C193-A197 PolarHBondContact O-N 3.18Å; C193-A235 HydrophobicContact CB-CB 3.79Å
194D98.8Very high98.7Very high80 Ų8053.2 Ų53.243%0.42828%0.282SS..Hα-helixtrans-63.4-36.7178.5-63-22.7000111.1K190 I191 A197 S198K190-D194 VanDerWaalsContact NZ-CG 3.28Å; K190-D194 IonicContact NZ-OD1 3.88Å; K190-D194 PolarHBondContact NZ-OD1 3.2Å; K190-D194 IonicContact NZ-OD2 2.8Å; K190-D194 PolarHBondContact NZ-OD2 2.78Å; K190-D194 PolarHBondContact O-N 3.01Å; I191-D194 PolarHBondContact O-N 3.29Å; D194-A197 PolarHBondContact O-N 3.08Å; D194-S198 WeakPolarHBondContact O-CB 3.49Å; D194-S198 PolarHBondContact O-N 3.14Å; D194-S198 PolarHBondContact O-OG 3.44Å
195Q98.7Very high98.7Very high79 Ų7949.5 Ų49.537%0.36927%0.266SS..Hα-helixtrans-65.4-39.1175.2-169.1-172.76.200112.3Y153 I191 L192 C193 S198 K199Y153-Q195 HydrophobicContact CE1-CB 4.48Å; Y153-Q195 HydrophobicContact CE1-CG 4.14Å; I191-Q195 WeakPolarHBondContact O-CB 3.49Å; I191-Q195 PolarHBondContact O-N 3.47Å; L192-Q195 WeakPolarHBondContact O-CB 3.38Å; L192-Q195 PolarHBondContact O-N 2.99Å; C193-Q195 VanDerWaalsContact C-N 3.28Å; C193-Q195 PolarHBondContact O-N 3.09Å; Q195-S198 WeakPolarHBondContact CA-OG 3.21Å; Q195-S198 PolarHBondContact O-OG 3.11Å; Q195-K199 WeakPolarHBondContact O-CG 3.42Å; Q195-K199 PolarHBondContact O-N 2.88Å
196I98.8Very high98.7Very high3 Ų349.5 Ų49.52%0.01527%0.266CS..Hα-helixtrans-63.7-48.3174.6-73.2164.8000110.1E117 I119 Y153 L192 C193 S198 K199 K201 L203E117-I196 HydrophobicContact CB-CD1 3.88Å; E117-I196 HydrophobicContact CB-CG1 4.14Å; E117-I196 HydrophobicContact CB-CG2 4.09Å; E117-I196 HydrophobicContact CG-CG1 4.44Å; E117-I196 HydrophobicContact CG-CG2 3.93Å; I119-I196 HydrophobicContact CD1-CD1 4.01Å; I119-I196 HydrophobicContact CG1-CD1 3.86Å; Y153-I196 HydrophobicContact CD1-CD1 4.45Å; Y153-I196 HydrophobicContact CD1-CG1 4.11Å; Y153-I196 HydrophobicContact CD2-CD1 3.85Å; Y153-I196 HydrophobicContact CD2-CG1 3.88Å; Y153-I196 HydrophobicContact CE1-CG1 3.77Å; Y153-I196 HydrophobicContact CE2-CD1 4.04Å; Y153-I196 HydrophobicContact CE2-CG1 3.57Å; Y153-I196 HydrophobicContact CG-CD1 4.09Å; Y153-I196 HydrophobicContact CG-CG1 4.16Å; Y153-I196 VanDerWaalsContact CZ-CG1 3.5Å; L192-I196 WeakPolarHBondContact O-CG1 3.3Å; L192-I196 PolarHBondContact O-N 3.01Å; C193-I196 PolarHBondContact O-N 3.16Å; I196-S198 PolarHBondContact O-N 3.29Å; I196-K199 PolarHBondContact O-N 2.9Å; I196-K201 HydrophobicContact CG2-CB 4.06Å; I196-K201 WeakPolarHBondContact CG2-O 3.2Å; I196-K201 PolarHBondContact O-N 3.03Å; I196-L203 HydrophobicContact CD1-CD1 3.76Å; I196-L203 HydrophobicContact CG2-CB 4.45Å
197A98.4Very high98.6Very high65 Ų6549.5 Ų49.554%0.53727%0.266SS..Hα-helixtrans-61.9-42.8-179.900000112.6C193 D194 K199 G200C193-A197 PolarHBondContact O-N 3.18Å; D194-A197 PolarHBondContact O-N 3.08Å; A197-K199 PolarHBondContact O-N 3.2Å; A197-K199 VanDerWaalsContact O-N 3.16Å; A197-G200 PolarHBondContact O-N 2.73Å
198S98.4Very high98.6Very high97 Ų9744.7 Ų44.768%0.67825%0.245SC*.Hα-helixtrans-63.6-19.3178.261.90000114.2D194 Q195 I196 G200D194-S198 WeakPolarHBondContact O-CB 3.49Å; D194-S198 PolarHBondContact O-N 3.14Å; D194-S198 PolarHBondContact O-OG 3.44Å; Q195-S198 WeakPolarHBondContact CA-OG 3.21Å; Q195-S198 PolarHBondContact O-OG 3.11Å; I196-S198 PolarHBondContact O-N 3.29Å; S198-G200 VanDerWaalsContact C-N 3.33Å
199K98.2Very high98.6Very high111 Ų11143.2 Ų43.248%0.48324%0.238SC..THydrogen-bonded Turntrans-89.55.7172-64.8179.3-170.3174.40113.3Y153 Q195 I196 A197 K201Y153-K199 WeakPolarHBondContact OH-CD 3.29Å; Y153-K199 PolarHBondContact OH-NZ 3.48Å; Q195-K199 WeakPolarHBondContact O-CG 3.42Å; Q195-K199 PolarHBondContact O-N 2.88Å; I196-K199 PolarHBondContact O-N 2.9Å; A197-K199 PolarHBondContact O-N 3.2Å; A197-K199 VanDerWaalsContact O-N 3.16Å; K199-K201 HydrophobicContact CB-CG 4.13Å; K199-K201 PolarHBondContact O-N 2.77Å
200G97.9Very high98.6Very high73 Ų7343.2 Ų43.275%0.75324%0.238SC*.THydrogen-bonded Turntrans66.620.3-175.800000113.7A197 S198A197-G200 PolarHBondContact O-N 2.73Å; S198-G200 VanDerWaalsContact C-N 3.33Å
201K98.5Very high98.6Very high76 Ų7640.7 Ų40.733%0.3323%0.227SC..  trans-101.2164179.6-60-163.4-175.4-173.10111.1E117 I196 K199E117-K201 HydrophobicContact CG-CB 3.72Å; E117-K201 HydrophobicContact CG-CD 3.74Å; E117-K201 HydrophobicContact CG-CG 4.45Å; E117-K201 WeakPolarHBondContact OE1-CD 3.47Å; E117-K201 IonicContact OE1-NZ 3.41Å; E117-K201 PolarHBondContact OE1-NZ 3.22Å; E117-K201 WeakPolarHBondContact OE2-CD 3.24Å; E117-K201 IonicContact OE2-NZ 2.67Å; E117-K201 PolarHBondContact OE2-NZ 3.43Å; I196-K201 HydrophobicContact CG2-CB 4.06Å; I196-K201 WeakPolarHBondContact CG2-O 3.2Å; I196-K201 PolarHBondContact O-N 3.03Å; K199-K201 HydrophobicContact CB-CG 4.13Å; K199-K201 PolarHBondContact O-N 2.77Å
202R98.5Very high98.5Very high160 Ų16037.2 Ų37.260%0.60421%0.21SC*.  trans-114.9130.6-178.8-70.4179.869.7142.50.8111.2T113 G115 T116 E117 A204T113-R202 VanDerWaalsContact O-CZ 3.31Å; T113-R202 PolarHBondContact O-NE 2.75Å; T113-R202 PolarHBondContact O-NH2 2.88Å; G115-R202 VanDerWaalsContact CA-O 3.3Å; G115-R202 WeakPolarHBondContact CA-O 3.36Å; T116-R202 PolarHBondContact N-O 3.35Å; T116-R202 VanDerWaalsContact N-O 3.11Å; E117-R202 PolarHBondContact N-O 2.6Å; R202-A204 PolarHBondContact O-N 3.44Å
203L98.9Very high98.4Very high5 Ų536.2 Ų36.23%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-69.5125.8173.7179.865.1000109.3I119 I196 A205 V232 A235I119-L203 HydrophobicContact CD1-CD1 3.82Å; I119-L203 HydrophobicContact CD1-CD2 4.23Å; I119-L203 HydrophobicContact CG1-CD1 3.8Å; I196-L203 HydrophobicContact CD1-CD1 3.76Å; I196-L203 HydrophobicContact CG2-CB 4.45Å; L203-A205 WeakPolarHBondContact CD1-O 3.39Å; L203-V232 HydrophobicContact CD2-CG1 4Å; L203-V232 HydrophobicContact CD2-CG2 4.43Å; L203-A235 HydrophobicContact CD2-CB 4.05Å
204A98.7Very high98.2Very high0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-82.6-58.816900000110.3K110 T113 G115 E117 R202 V238K110-A204 HydrophobicContact CG-CB 3.89Å; T113-A204 WeakPolarHBondContact CG2-O 3.05Å; T113-A204 WeakPolarHBondContact OG1-CA 3.47Å; G115-A204 WeakPolarHBondContact O-CB 3.25Å; E117-A204 WeakPolarHBondContact O-CA 3.48Å; E117-A204 VanDerWaalsContact O-CB 3.32Å; E117-A204 WeakPolarHBondContact O-CB 3.09Å; E117-A204 PolarHBondContact O-N 2.88Å; R202-A204 PolarHBondContact O-N 3.44Å; A204-V238 WeakPolarHBondContact O-CG2 3.46Å; A204-V238 PolarHBondContact O-N 3.15Å; A204-V238 VanDerWaalsContact O-N 3.16Å
205A98.8Very high98Very high0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-150.8151.1-173.300000113.7A109 V118 I119 L203 V238 I240A109-A205 HydrophobicContact CB-CB 3.89Å; V118-A205 WeakPolarHBondContact CA-O 3.33Å; I119-A205 PolarHBondContact N-O 3.06Å; L203-A205 WeakPolarHBondContact CD1-O 3.39Å; A205-V238 CarbonylContact C-O 3.49Å; A205-V238 WeakPolarHBondContact CA-O 3.44Å; A205-V238 HydrophobicContact CB-CG2 4.14Å; A205-I240 HydrophobicContact CB-CD1 3.75Å; A205-I240 HydrophobicContact CB-CG1 4.28Å
206F98.9Very high97.8Very high0 Ų028.8 Ų28.80%017%0.168CC..EExtended strand (participates in β ladder)trans-96.4131151.8172.4-89.9000109.3I119 V121 V189 M208 Y224 V228 V232 V238 V239 I240I119-F206 HydrophobicContact CB-CD2 4.03Å; I119-F206 HydrophobicContact CG2-CD2 3.72Å; I119-F206 HydrophobicContact CG2-CE2 4.19Å; I119-F206 CarbonylContact O-C 3.56Å; I119-F206 VanDerWaalsContact O-CA 3.32Å; I119-F206 WeakPolarHBondContact O-CA 3.21Å; V121-F206 HydrophobicContact CG2-CE2 4.04Å; V121-F206 HydrophobicContact CG2-CZ 3.68Å; V189-F206 HydrophobicContact CG1-CD2 3.86Å; V189-F206 HydrophobicContact CG1-CE2 4.22Å; V189-F206 HydrophobicContact CG2-CD2 4.31Å; V189-F206 HydrophobicContact CG2-CE2 3.82Å; F206-M208 HydrophobicContact CE1-CB 3.71Å; F206-M208 HydrophobicContact CE1-CG 3.62Å; F206-M208 HydrophobicContact CE1-SD 3.57Å; F206-M208 VanDerWaalsContact CE1-SD 3.57Å; F206-M208 HydrophobicContact CZ-CB 3.92Å; F206-M208 HydrophobicContact CZ-CG 4.23Å; F206-M208 HydrophobicContact CZ-SD 3.99Å; F206-Y224 HydrophobicContact CZ-CE1 4.42Å; F206-V228 HydrophobicContact CD1-CG1 3.51Å; F206-V228 HydrophobicContact CD2-CG1 3.94Å; F206-V228 HydrophobicContact CE1-CG1 3.54Å; F206-V228 HydrophobicContact CE2-CG1 3.98Å; F206-V228 HydrophobicContact CG-CG1 3.72Å; F206-V228 HydrophobicContact CZ-CG1 3.79Å; F206-V232 HydrophobicContact CB-CB 4.45Å; F206-V232 HydrophobicContact CB-CG1 4.18Å; F206-V232 HydrophobicContact CB-CG2 3.49Å; F206-V232 VanDerWaalsContact CB-CG2 3.49Å; F206-V232 HydrophobicContact CG-CG2 4.15Å; F206-V238 PolarHBondContact N-O 3.42Å; F206-V239 HydrophobicContact CB-CG2 4.48Å; F206-V239 HydrophobicContact CD1-CG1 4.2Å; F206-I240 PolarHBondContact O-N 3.36Å
207F98.1Very high97.7Very high0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-126.1125.4-173.7-143.8-60.7000110.2N102 A105 V118 I119 V120 H126 I135 I240 D242N102-F207 HydrophobicContact CB-CE1 4.27Å; N102-F207 HydrophobicContact CB-CZ 3.65Å; N102-F207 WeakPolarHBondContact OD1-CZ 3.45Å; A105-F207 HydrophobicContact CB-CE2 4.49Å; V118-F207 HydrophobicContact CG1-CB 4.48Å; I119-F207 PolarHBondContact O-N 3.16Å; V120-F207 HydrophobicContact CG1-CB 4.17Å; H126-F207 HydrophobicContact CB-CE1 4.35Å; H126-F207 AromaticContact CD2-CD1 3.82Å; H126-F207 AromaticContact CE1-CD1 3.44Å; H126-F207 VanDerWaalsContact CE1-CD1 3.44Å; H126-F207 WeakPolarHBondContact CE1-CD1 3.25Å; H126-F207 AromaticContact CE1-CE1 3.87Å; H126-F207 AromaticContact CG-CD1 3.79Å; H126-F207 AromaticContact CG-CE1 3.81Å; H126-F207 AromaticContact ND1-CD1 3.55Å; H126-F207 AromaticContact ND1-CE1 3.52Å; H126-F207 AromaticContact NE2-CD1 3.62Å; I135-F207 HydrophobicContact CD1-CD2 3.94Å; I135-F207 HydrophobicContact CD1-CE2 4.21Å; I135-F207 HydrophobicContact CD1-CG 4.23Å; F207-I240 HydrophobicContact CD1-CB 4.46Å; F207-I240 HydrophobicContact CD1-CG2 4.32Å; F207-I240 HydrophobicContact CD2-CB 3.97Å; F207-I240 HydrophobicContact CD2-CD1 3.64Å; F207-I240 HydrophobicContact CD2-CG1 4.38Å; F207-I240 HydrophobicContact CD2-CG2 4.13Å; F207-I240 HydrophobicContact CE1-CG2 3.94Å; F207-I240 HydrophobicContact CE2-CB 4.07Å; F207-I240 HydrophobicContact CE2-CD1 3.62Å; F207-I240 HydrophobicContact CE2-CG1 4.45Å; F207-I240 HydrophobicContact CE2-CG2 3.72Å; F207-I240 HydrophobicContact CG-CB 4.17Å; F207-I240 HydrophobicContact CG-CG2 4.4Å; F207-I240 HydrophobicContact CZ-CB 4.35Å; F207-I240 HydrophobicContact CZ-CG2 3.6Å; F207-D242 HydrophobicContact CE1-CB 4.06Å
208M98.5Very high97.7Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-145.8151.2176.972.3175.3-74.700113.6V121 F206 P220 Y224 L225 I240 V241 D242V121-M208 HydrophobicContact CG2-CB 3.71Å; F206-M208 HydrophobicContact CE1-CB 3.71Å; F206-M208 HydrophobicContact CE1-CG 3.62Å; F206-M208 HydrophobicContact CE1-SD 3.57Å; F206-M208 VanDerWaalsContact CE1-SD 3.57Å; F206-M208 HydrophobicContact CZ-CB 3.92Å; F206-M208 HydrophobicContact CZ-CG 4.23Å; F206-M208 HydrophobicContact CZ-SD 3.99Å; M208-P220 HydrophobicContact CE-CB 4.38Å; M208-P220 HydrophobicContact CE-CG 3.57Å; M208-Y224 HydrophobicContact CE-CE1 4.11Å; M208-Y224 HydrophobicContact SD-CE1 4.04Å; M208-L225 HydrophobicContact SD-CD1 3.77Å; M208-I240 PolarHBondContact N-O 2.86Å; M208-I240 VanDerWaalsContact N-O 3.15Å; M208-V241 HydrophobicContact CG-CG2 4.46Å; M208-D242 WeakPolarHBondContact O-CB 3.33Å; M208-D242 PolarHBondContact O-N 2.69Å
209E98.6Very high97.7Very high4 Ų423.7 Ų23.72%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-67.9136.1161.4-66.3176.681.600109.7L211 I212 S213 Q245E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 2.88Å; E209-I212 HydrophobicContact CB-CG1 4.47Å; E209-S213 VanDerWaalsContact OE1-CB 3.25Å; E209-S213 WeakPolarHBondContact OE1-CB 3.38Å; E209-S213 PolarHBondContact OE1-N 2.73Å; E209-S213 VanDerWaalsContact OE1-N 3.09Å; E209-Q245 PolarHBondContact OE1-NE2 2.88Å; E209-Q245 VanDerWaalsContact OE1-NE2 3.1Å
210A98.3Very high97.7Very high0 Ų018.6 Ų18.60%010%0.1CC..SBendtrans-58.2-44.8179.900000112.6V241 D242 E243 A257 H261A210-V241 HydrophobicContact CB-CG1 3.62Å; A210-D242 PolarHBondContact N-O 2.96Å; A210-E243 HydrophobicContact CB-CG 4.08Å; A210-E243 VanDerWaalsContact CB-OE1 3.3Å; A210-E243 WeakPolarHBondContact CB-OE1 3.36Å; A210-A257 HydrophobicContact CB-CB 4.15Å; A210-H261 PolarHBondContact O-NE2 3.48Å
211L98.2Very high97.6Very high1 Ų115.4 Ų15.41%0.0057%0.066CC..SBendtrans-121128.1160-49172000107.1E209 S213 F219 T246 A257 L359 F362E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 2.88Å; L211-S213 PolarHBondContact O-N 3.42Å; L211-F219 HydrophobicContact CB-CD1 4.32Å; L211-F219 HydrophobicContact CD1-CD1 4.39Å; L211-F219 HydrophobicContact CD1-CE1 4.21Å; L211-F219 HydrophobicContact CD2-CD1 3.94Å; L211-F219 HydrophobicContact CG-CD1 4.45Å; L211-T246 HydrophobicContact CB-CG2 3.92Å; L211-T246 HydrophobicContact CD1-CG2 4.19Å; L211-T246 HydrophobicContact CG-CG2 4.17Å; L211-A257 HydrophobicContact CD1-CB 3.89Å; L211-A257 HydrophobicContact CD2-CB 4.43Å; L211-A257 HydrophobicContact CG-CB 3.79Å; L211-L359 HydrophobicContact CD1-CD2 4.04Å; L211-L359 HydrophobicContact CD2-CD2 4.16Å; L211-F362 HydrophobicContact CB-CE1 3.92Å; L211-F362 HydrophobicContact CB-CE2 4.34Å; L211-F362 HydrophobicContact CB-CZ 3.8Å; L211-F362 HydrophobicContact CD1-CD1 4.07Å; L211-F362 HydrophobicContact CD1-CD2 4.49Å; L211-F362 HydrophobicContact CD1-CE1 4.28Å; L211-F362 HydrophobicContact CD1-CG 4.15Å
212I97.9Very high97.4Very high1 Ų115.2 Ų15.21%0.0057%0.066CC..BIsolated β-bridgetrans-76.9103.4-169-60.7160.2000109V121 P158 E209 Q217 V218 P220V121-I212 HydrophobicContact CG1-CD1 3.79Å; P158-I212 HydrophobicContact CG-CD1 3.82Å; E209-I212 HydrophobicContact CB-CG1 4.47Å; I212-Q217 CarbonylContact O-C 3.46Å; I212-Q217 VanDerWaalsContact O-CA 3.24Å; I212-Q217 WeakPolarHBondContact O-CA 3.15Å; I212-Q217 PolarHBondContact O-N 2.65Å; I212-Q217 VanDerWaalsContact O-N 3.1Å; I212-V218 HydrophobicContact CB-CB 4.1Å; I212-V218 HydrophobicContact CD1-CG1 4.36Å; I212-V218 PolarHBondContact N-O 2.83Å; I212-V218 PolarHBondContact O-N 3.2Å; I212-P220 HydrophobicContact CD1-CG 4.48Å
213S96.1Very high97.3Very high0 Ų08.3 Ų8.30%05%0.045CC..THydrogen-bonded Turntrans-78.6-56.1-175.6179.70000111.3E209 L211 G215 G216 Q217 Q245 E398 K408E209-S213 VanDerWaalsContact OE1-CB 3.25Å; E209-S213 WeakPolarHBondContact OE1-CB 3.38Å; E209-S213 PolarHBondContact OE1-N 2.73Å; E209-S213 VanDerWaalsContact OE1-N 3.09Å; L211-S213 PolarHBondContact O-N 3.42Å; S213-G215 PolarHBondContact O-N 2.85Å; S213-G216 PolarHBondContact O-N 3.4Å; S213-Q217 PolarHBondContact O-N 2.97Å; S213-Q217 VanDerWaalsContact O-N 3.13Å; S213-Q217 PolarHBondContact O-NE2 2.78Å; S213-Q217 PolarHBondContact OG-NE2 2.99Å; S213-Q245 VanDerWaalsContact CB-NE2 3.31Å; S213-E398 PolarHBondContact OG-OE2 2.83Å; S213-K408 PolarHBondContact OG-NZ 3.36Å
214C94.6Very high97.3Very high7 Ų78.1 Ų8.15%0.0474%0.044CC..THydrogen-bonded Turntrans-66-28.9-172.2-75.30000112.6H123 Y125 Y138 G216 G399H123-C214 VanDerWaalsContact O-CB 3.32Å; H123-C214 WeakPolarHBondContact O-CB 3.44Å; Y125-C214 VanDerWaalsContact CB-SG 3.53Å; Y138-C214 HydrophobicContact CD2-CB 3.97Å; Y138-C214 HydrophobicContact CE2-CB 4.5Å; Y138-C214 HydrophobicContact CG-CB 4.27Å; C214-G216 PolarHBondContact O-N 3.04Å; C214-G399 VanDerWaalsContact O-CA 3.24Å; C214-G399 WeakPolarHBondContact O-CA 3.4Å; C214-G399 PolarHBondContact O-N 2.79Å
215G94.9Very high97.3Very high2 Ų28.1 Ų8.12%0.0214%0.044CC..THydrogen-bonded Turntrans-68.3-5.9169.800000115.2H123 S213H123-G215 VanDerWaalsContact CB-CA 3.48Å; S213-G215 PolarHBondContact O-N 2.85Å
216G95.6Very high97.3Very high0 Ų012.1 Ų12.10%06%0.059CC..THydrogen-bonded Turntrans111.437175.700000114.8S213 C214 R357 I404S213-G216 PolarHBondContact O-N 3.4Å; C214-G216 PolarHBondContact O-N 3.04Å; G216-R357 VanDerWaalsContact O-CZ 3.27Å; G216-R357 PolarHBondContact O-NE 2.99Å; G216-R357 VanDerWaalsContact O-NE 3.11Å; G216-R357 PolarHBondContact O-NH2 3.43Å; G216-I404 VanDerWaalsContact CA-CD1 3.48Å
217Q96.8Very high97.3Very high0 Ų014.3 Ų14.30%07%0.071CC..SBendtrans61.448.3-179-43.7-60.6-74.200111.9I212 S213 R357 F362 K406I212-Q217 CarbonylContact O-C 3.46Å; I212-Q217 VanDerWaalsContact O-CA 3.24Å; I212-Q217 WeakPolarHBondContact O-CA 3.15Å; I212-Q217 PolarHBondContact O-N 2.65Å; I212-Q217 VanDerWaalsContact O-N 3.1Å; S213-Q217 PolarHBondContact O-N 2.97Å; S213-Q217 VanDerWaalsContact O-N 3.13Å; S213-Q217 PolarHBondContact O-NE2 2.78Å; S213-Q217 PolarHBondContact OG-NE2 2.99Å; Q217-R357 WeakPolarHBondContact O-CD 3.33Å; Q217-R357 WeakPolarHBondContact O-CG 3.49Å; Q217-R357 PolarHBondContact O-NE 3.17Å; Q217-F362 HydrophobicContact CB-CD1 4.23Å; Q217-F362 HydrophobicContact CB-CE1 3.6Å; Q217-F362 HydrophobicContact CB-CZ 4.28Å; Q217-F362 HydrophobicContact CG-CE1 4.22Å; Q217-K406 HydrophobicContact CG-CB 4.16Å
218V97.8Very high97.3Very high2 Ų214.3 Ų14.31%0.0127%0.071CC..BIsolated β-bridgetrans-86.1135.4-176.7173.90000110.1D159 I212D159-V218 HydrophobicContact CB-CB 4.48Å; D159-V218 HydrophobicContact CB-CG1 3.79Å; D159-V218 HydrophobicContact CB-CG2 3.83Å; I212-V218 HydrophobicContact CB-CB 4.1Å; I212-V218 HydrophobicContact CD1-CG1 4.36Å; I212-V218 PolarHBondContact N-O 2.83Å; I212-V218 PolarHBondContact O-N 3.2Å
219F97.4Very high97.3Very high55 Ų5514.5 Ų14.524%0.2417%0.072CC..PPolyproline II helixtrans-101.4117.5174.9-55-23.9000108.2L211 R357 L359 F362L211-F219 HydrophobicContact CB-CD1 4.32Å; L211-F219 HydrophobicContact CD1-CD1 4.39Å; L211-F219 HydrophobicContact CD1-CE1 4.21Å; L211-F219 HydrophobicContact CD2-CD1 3.94Å; L211-F219 HydrophobicContact CG-CD1 4.45Å; F219-R357 HydrophobicContact CD2-CB 4.34Å; F219-R357 HydrophobicContact CE2-CB 3.83Å; F219-R357 HydrophobicContact CZ-CB 4.28Å; F219-L359 HydrophobicContact CE1-CB 4.25Å; F219-L359 HydrophobicContact CE2-CB 3.88Å; F219-L359 HydrophobicContact CZ-CB 3.72Å; F219-F362 HydrophobicContact CD1-CE1 4.43Å; F219-F362 AromaticContact CE1-CD1 3.56Å; F219-F362 HydrophobicContact CE1-CD1 3.56Å; F219-F362 AromaticContact CE1-CE1 3.66Å; F219-F362 HydrophobicContact CE1-CE1 3.66Å; F219-F362 HydrophobicContact CZ-CD1 4.15Å
220P97.9Very high97.3Very high5 Ų516.7 Ų16.73%0.0328%0.083CC..PPolyproline II helixtrans-54.2133170.9-23.833.8000109.8P158 M208 I212 Y224P158-P220 HydrophobicContact CG-CB 4.28Å; P158-P220 HydrophobicContact CG-CG 4.47Å; M208-P220 HydrophobicContact CE-CB 4.38Å; M208-P220 HydrophobicContact CE-CG 3.57Å; I212-P220 HydrophobicContact CD1-CG 4.48Å; P220-Y224 HydrophobicContact CB-CD1 3.78Å; P220-Y224 HydrophobicContact CB-CG 4.39Å
221P97.3Very high97.3Very high6 Ų619.1 Ų19.14%0.0399%0.093CC..PPolyproline II helixtrans-70.2159.4179.430.8-35.9000111.3V160 L178 M181 G223 Y224V160-P221 HydrophobicContact CG1-CB 4.35Å; V160-P221 HydrophobicContact CG1-CG 4.36Å; L178-P221 HydrophobicContact CB-CB 4.26Å; L178-P221 HydrophobicContact CD2-CB 4.05Å; L178-P221 WeakPolarHBondContact O-CB 3.16Å; M181-P221 HydrophobicContact CB-CG 4.47Å; P221-G223 PolarHBondContact O-N 3.06Å; P221-Y224 VanDerWaalsContact O-CB 3.23Å; P221-Y224 WeakPolarHBondContact O-CB 3.31Å; P221-Y224 PolarHBondContact O-N 3.01Å; P221-Y224 VanDerWaalsContact O-N 3.13Å
222E94.4Very high97.4Very high71 Ų7119 Ų1933%0.3329%0.093SC..THydrogen-bonded Turntrans-52.3137.3-179.2-170.8169.8-17600111.7R175 Y224R175-E222 VanDerWaalsContact CG-OE2 3.25Å; R175-E222 WeakPolarHBondContact CG-OE2 3.06Å; R175-E222 IonicContact CZ-OE1 3.6Å; R175-E222 IonicContact CZ-OE2 3.87Å; R175-E222 IonicContact NE-OE1 3.01Å; R175-E222 PolarHBondContact NE-OE1 2.84Å; R175-E222 IonicContact NE-OE2 2.85Å; R175-E222 PolarHBondContact NE-OE2 2.59Å; R175-E222 IonicContact NH2-OE1 2.73Å; R175-E222 PolarHBondContact NH2-OE1 2.77Å; R175-E222 IonicContact NH2-OE2 3.11Å; E222-Y224 PolarHBondContact O-N 2.99Å
223G96.3Very high97.4Very high16 Ų1622.7 Ų22.717%0.16511%0.11CC..THydrogen-bonded Turntrans77.6-10-179.800000115.5P221 N227P221-G223 PolarHBondContact O-N 3.06Å; G223-N227 WeakPolarHBondContact O-CB 3.48Å; G223-N227 VanDerWaalsContact O-CG 3.26Å; G223-N227 PolarHBondContact O-N 2.82Å; G223-N227 VanDerWaalsContact O-N 3.11Å; G223-N227 PolarHBondContact O-ND2 2.81Å
224Y98.6Very high97.5Very high0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-57.7-61.6177.1171.6-102.2000111.8P158 A186 F206 M208 P220 P221 E222 R226 N227 V228P158-Y224 HydrophobicContact CB-CD2 4.2Å; P158-Y224 HydrophobicContact CB-CE2 4.18Å; P158-Y224 HydrophobicContact CB-CG 4.43Å; P158-Y224 HydrophobicContact CG-CD1 4.35Å; P158-Y224 HydrophobicContact CG-CE1 4.08Å; P158-Y224 HydrophobicContact CG-CE2 4.38Å; A186-Y224 HydrophobicContact CB-CD2 4.03Å; A186-Y224 HydrophobicContact CB-CE2 4.46Å; F206-Y224 HydrophobicContact CZ-CE1 4.42Å; M208-Y224 HydrophobicContact CE-CE1 4.11Å; M208-Y224 HydrophobicContact SD-CE1 4.04Å; P220-Y224 HydrophobicContact CB-CD1 3.78Å; P220-Y224 HydrophobicContact CB-CG 4.39Å; P221-Y224 VanDerWaalsContact O-CB 3.23Å; P221-Y224 WeakPolarHBondContact O-CB 3.31Å; P221-Y224 PolarHBondContact O-N 3.01Å; P221-Y224 VanDerWaalsContact O-N 3.13Å; E222-Y224 PolarHBondContact O-N 2.99Å; Y224-R226 VanDerWaalsContact C-N 3.32Å; Y224-R226 PolarHBondContact O-N 2.65Å; Y224-N227 PolarHBondContact O-N 2.9Å; Y224-V228 HydrophobicContact CD2-CG2 4.25Å; Y224-V228 HydrophobicContact CE1-CG2 4.19Å; Y224-V228 HydrophobicContact CE2-CG2 3.87Å; Y224-V228 WeakPolarHBondContact O-CG2 3.45Å; Y224-V228 PolarHBondContact O-N 2.79Å
225L98.5Very high97.7Very high0 Ų031.3 Ų31.30%016%0.156CC..Hα-helixtrans-65.3-37.2-174.717656.6000111.6M208 N227 V228 I229 V239 V241 Y258 C262M208-L225 HydrophobicContact SD-CD1 3.77Å; L225-N227 PolarHBondContact O-N 3.07Å; L225-V228 PolarHBondContact O-N 3.25Å; L225-I229 HydrophobicContact CD1-CD1 4.13Å; L225-I229 HydrophobicContact CD1-CG1 4.08Å; L225-I229 HydrophobicContact CG-CD1 4.01Å; L225-I229 HydrophobicContact CG-CG1 4.45Å; L225-I229 WeakPolarHBondContact O-CG1 3.3Å; L225-I229 PolarHBondContact O-N 3.4Å; L225-V239 HydrophobicContact CD1-CG1 4.11Å; L225-V241 HydrophobicContact CD2-CG2 4.26Å; L225-Y258 HydrophobicContact CD2-CD2 3.96Å; L225-Y258 HydrophobicContact CD2-CG 4.38Å; L225-C262 HydrophobicContact CB-CB 3.93Å; L225-C262 HydrophobicContact CD2-CB 3.95Å; L225-C262 HydrophobicContact CG-CB 4.08Å
226R98.2Very high97.9Very high84 Ų8433.3 Ų33.332%0.31718%0.177SC..Hα-helixtrans-56.8-50.5175.7175.659.8-148.21797.2112.3Y224 V228 I229 D230 E264Y224-R226 VanDerWaalsContact C-N 3.32Å; Y224-R226 PolarHBondContact O-N 2.65Å; R226-V228 VanDerWaalsContact C-N 3.34Å; R226-I229 PolarHBondContact O-N 2.98Å; R226-D230 IonicContact CZ-OD1 3.93Å; R226-D230 IonicContact CZ-OD2 3.94Å; R226-D230 IonicContact NE-OD1 3.81Å; R226-D230 IonicContact NE-OD2 2.65Å; R226-D230 PolarHBondContact NE-OD2 2.9Å; R226-D230 IonicContact NH2-OD1 2.92Å; R226-D230 PolarHBondContact NH2-OD1 2.75Å; R226-D230 IonicContact NH2-OD2 3.03Å; R226-D230 PolarHBondContact NH2-OD2 3.33Å; R226-D230 PolarHBondContact O-N 3.02Å; R226-E264 VanDerWaalsContact CB-OE1 3.27Å; R226-E264 WeakPolarHBondContact CB-OE1 3.4Å; R226-E264 WeakPolarHBondContact CG-OE1 3.5Å
227N98.6Very high98Very high47 Ų4733.5 Ų33.525%0.25118%0.179SC..Hα-helixtrans-66.5-37.8178.7-71.4-32.8000111.6A186 G223 Y224 L225 D230 Y231A186-N227 HydrophobicContact CB-CB 3.47Å; A186-N227 VanDerWaalsContact CB-CB 3.47Å; G223-N227 WeakPolarHBondContact O-CB 3.48Å; G223-N227 VanDerWaalsContact O-CG 3.26Å; G223-N227 PolarHBondContact O-N 2.82Å; G223-N227 VanDerWaalsContact O-N 3.11Å; G223-N227 PolarHBondContact O-ND2 2.81Å; Y224-N227 PolarHBondContact O-N 2.9Å; L225-N227 PolarHBondContact O-N 3.07Å; N227-D230 PolarHBondContact O-N 3.22Å; N227-Y231 HydrophobicContact CB-CE2 4.05Å; N227-Y231 WeakPolarHBondContact O-CD2 3.37Å; N227-Y231 VanDerWaalsContact O-CG 3.26Å; N227-Y231 PolarHBondContact O-N 2.8Å
228V98.9Very high98.1Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-61-44.4175.1166.90000111.7A186 V189 F206 Y224 L225 R226 D230 Y231 V232A186-V228 HydrophobicContact CB-CG2 3.92Å; V189-V228 HydrophobicContact CB-CG2 4.07Å; V189-V228 HydrophobicContact CG1-CG1 4.15Å; V189-V228 HydrophobicContact CG1-CG2 4.4Å; V189-V228 HydrophobicContact CG2-CG2 3.75Å; F206-V228 HydrophobicContact CD1-CG1 3.51Å; F206-V228 HydrophobicContact CD2-CG1 3.94Å; F206-V228 HydrophobicContact CE1-CG1 3.54Å; F206-V228 HydrophobicContact CE2-CG1 3.98Å; F206-V228 HydrophobicContact CG-CG1 3.72Å; F206-V228 HydrophobicContact CZ-CG1 3.79Å; Y224-V228 HydrophobicContact CD2-CG2 4.25Å; Y224-V228 HydrophobicContact CE1-CG2 4.19Å; Y224-V228 HydrophobicContact CE2-CG2 3.87Å; Y224-V228 WeakPolarHBondContact O-CG2 3.45Å; Y224-V228 PolarHBondContact O-N 2.79Å; L225-V228 PolarHBondContact O-N 3.25Å; R226-V228 VanDerWaalsContact C-N 3.34Å; V228-D230 VanDerWaalsContact C-N 3.32Å; V228-D230 PolarHBondContact O-N 2.94Å; V228-Y231 PolarHBondContact O-N 2.77Å; V228-V232 HydrophobicContact CG1-CG2 3.98Å; V228-V232 VanDerWaalsContact O-CB 3.32Å; V228-V232 WeakPolarHBondContact O-CB 3.44Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.29Å
229I98.8Very high98.2Very high4 Ų433.5 Ų33.52%0.02118%0.179CC..Hα-helixtrans-54.6-50.9174.8-72165.1000110.2L225 R226 Y231 V232 H233 V239 A265L225-I229 HydrophobicContact CD1-CD1 4.13Å; L225-I229 HydrophobicContact CD1-CG1 4.08Å; L225-I229 HydrophobicContact CG-CD1 4.01Å; L225-I229 HydrophobicContact CG-CG1 4.45Å; L225-I229 WeakPolarHBondContact O-CG1 3.3Å; L225-I229 PolarHBondContact O-N 3.4Å; R226-I229 PolarHBondContact O-N 2.98Å; I229-Y231 PolarHBondContact O-N 2.77Å; I229-V232 PolarHBondContact O-N 2.88Å; I229-H233 WeakPolarHBondContact O-CB 3.47Å; I229-H233 VanDerWaalsContact O-CG 3.29Å; I229-H233 PolarHBondContact O-N 3.21Å; I229-V239 HydrophobicContact CB-CG2 4.38Å; I229-V239 HydrophobicContact CG1-CB 4.18Å; I229-V239 HydrophobicContact CG1-CG1 4.05Å; I229-V239 HydrophobicContact CG1-CG2 3.87Å; I229-A265 HydrophobicContact CD1-CB 3.8Å
230D98.6Very high98.3Very high49 Ų4930.9 Ų30.926%0.26217%0.167SC..Hα-helixtrans-61.2-43.5-179.4-71.1-26.2000112.2R226 N227 V228 Q234R226-D230 IonicContact CZ-OD1 3.93Å; R226-D230 IonicContact CZ-OD2 3.94Å; R226-D230 IonicContact NE-OD1 3.81Å; R226-D230 IonicContact NE-OD2 2.65Å; R226-D230 PolarHBondContact NE-OD2 2.9Å; R226-D230 IonicContact NH2-OD1 2.92Å; R226-D230 PolarHBondContact NH2-OD1 2.75Å; R226-D230 IonicContact NH2-OD2 3.03Å; R226-D230 PolarHBondContact NH2-OD2 3.33Å; R226-D230 PolarHBondContact O-N 3.02Å; N227-D230 PolarHBondContact O-N 3.22Å; V228-D230 VanDerWaalsContact C-N 3.32Å; V228-D230 PolarHBondContact O-N 2.94Å; D230-Q234 WeakPolarHBondContact O-CB 3.47Å; D230-Q234 WeakPolarHBondContact O-CG 3.27Å; D230-Q234 PolarHBondContact O-N 3.23Å; D230-Q234 PolarHBondContact O-NE2 3.14Å
231Y98.8Very high98.3Very high51 Ų5130.6 Ų30.620%0.217%0.166CC..Hα-helixtrans-69.4-37179.1-62.4-38.1000113.8A186 K190 N227 V228 I229 A235A186-Y231 HydrophobicContact CB-CE2 4.19Å; K190-Y231 HydrophobicContact CB-CD1 4.08Å; K190-Y231 HydrophobicContact CB-CD2 3.7Å; K190-Y231 HydrophobicContact CB-CE1 4.4Å; K190-Y231 HydrophobicContact CB-CE2 4.02Å; K190-Y231 HydrophobicContact CB-CG 3.74Å; K190-Y231 HydrophobicContact CD-CD1 3.79Å; K190-Y231 HydrophobicContact CD-CE1 3.71Å; K190-Y231 HydrophobicContact CD-CG 4.35Å; K190-Y231 HydrophobicContact CG-CD1 4.3Å; K190-Y231 HydrophobicContact CG-CG 4.4Å; N227-Y231 HydrophobicContact CB-CE2 4.05Å; N227-Y231 WeakPolarHBondContact O-CD2 3.37Å; N227-Y231 VanDerWaalsContact O-CG 3.26Å; N227-Y231 PolarHBondContact O-N 2.8Å; V228-Y231 PolarHBondContact O-N 2.77Å; I229-Y231 PolarHBondContact O-N 2.77Å; Y231-A235 PolarHBondContact O-N 3.03Å; Y231-A235 VanDerWaalsContact O-N 3.17Å
232V98.9Very high98.4Very high0 Ų030.7 Ų30.70%017%0.166CC..Hα-helixtrans-71.2-42.3179.7169.20000110.4V189 L203 F206 V228 I229 A235 G236 G237 V239V189-V232 HydrophobicContact CG1-CG2 4.11Å; L203-V232 HydrophobicContact CD2-CG1 4Å; L203-V232 HydrophobicContact CD2-CG2 4.43Å; F206-V232 HydrophobicContact CB-CB 4.45Å; F206-V232 HydrophobicContact CB-CG1 4.18Å; F206-V232 HydrophobicContact CB-CG2 3.49Å; F206-V232 VanDerWaalsContact CB-CG2 3.49Å; F206-V232 HydrophobicContact CG-CG2 4.15Å; V228-V232 HydrophobicContact CG1-CG2 3.98Å; V228-V232 VanDerWaalsContact O-CB 3.32Å; V228-V232 WeakPolarHBondContact O-CB 3.44Å; V228-V232 WeakPolarHBondContact O-CG2 3.46Å; V228-V232 PolarHBondContact O-N 3.29Å; I229-V232 PolarHBondContact O-N 2.88Å; V232-A235 CarbonylContact O-C 3.55Å; V232-A235 PolarHBondContact O-N 3.13Å; V232-A235 VanDerWaalsContact O-N 3.14Å; V232-G236 PolarHBondContact O-N 3.43Å; V232-G237 PolarHBondContact O-N 3.22Å; V232-V239 HydrophobicContact CB-CG2 3.82Å; V232-V239 HydrophobicContact CG1-CG2 3.76Å; V232-V239 HydrophobicContact CG2-CG2 4.2Å
233H98.7Very high98.6Very high78 Ų7827.3 Ų27.336%0.36115%0.15SC..Hα-helixtrans-63.2-42174.2-70.8173.7000112.1I229 A235 G236 D268I229-H233 WeakPolarHBondContact O-CB 3.47Å; I229-H233 VanDerWaalsContact O-CG 3.29Å; I229-H233 PolarHBondContact O-N 3.21Å; H233-A235 PolarHBondContact O-N 3.15Å; H233-G236 PolarHBondContact O-N 3.33Å; H233-D268 IonicContact CD2-OD2 3.51Å; H233-D268 IonicContact CE1-OD1 2.65Å; H233-D268 IonicContact CE1-OD2 3.79Å; H233-D268 IonicContact NE2-OD1 3.27Å; H233-D268 PolarHBondContact NE2-OD1 3.23Å; H233-D268 IonicContact NE2-OD2 3.41Å; H233-D268 PolarHBondContact NE2-OD2 3.48Å
234Q98.6Very high98.7Very high145 Ų14527 Ų2768%0.67815%0.145SC*.Hα-helixtrans-59.8-31.3173.7-75.5167.729.500112.8D230 G236D230-Q234 WeakPolarHBondContact O-CB 3.47Å; D230-Q234 WeakPolarHBondContact O-CG 3.27Å; D230-Q234 PolarHBondContact O-N 3.23Å; D230-Q234 PolarHBondContact O-NE2 3.14Å; Q234-G236 VanDerWaalsContact C-N 3.29Å
235A98.7Very high98.6Very high42 Ų4227.7 Ų27.735%0.34715%0.148SC..THydrogen-bonded Turntrans-83.8-0.7175.800000113.8C193 L203 Y231 V232 H233 G237C193-A235 HydrophobicContact CB-CB 3.79Å; L203-A235 HydrophobicContact CD2-CB 4.05Å; Y231-A235 PolarHBondContact O-N 3.03Å; Y231-A235 VanDerWaalsContact O-N 3.17Å; V232-A235 CarbonylContact O-C 3.55Å; V232-A235 PolarHBondContact O-N 3.13Å; V232-A235 VanDerWaalsContact O-N 3.14Å; H233-A235 PolarHBondContact O-N 3.15Å; A235-G237 VanDerWaalsContact C-N 3.32Å
236G98.4Very high98.5Very high45 Ų4527.8 Ų27.846%0.46415%0.149SC..THydrogen-bonded Turntrans76.414-178.600000115T113 V232 H233 Q234T113-G236 WeakPolarHBondContact CG2-O 3.49Å; V232-G236 PolarHBondContact O-N 3.43Å; H233-G236 PolarHBondContact O-N 3.33Å; Q234-G236 VanDerWaalsContact C-N 3.29Å
237G98.7Very high98.5Very high4 Ų423.8 Ų23.84%0.04113%0.134CC..  trans-92.6175.3174.600000112.8V232 A235V232-G237 PolarHBondContact O-N 3.22Å; A235-G237 VanDerWaalsContact C-N 3.32Å
238V98.8Very high98.5Very high1 Ų121.6 Ų21.61%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-113.7153.6171.9-65.20000112.6A109 Y112 T113 A204 A205 F206 D268 M269 V291A109-V238 HydrophobicContact CB-CG2 3.41Å; A109-V238 VanDerWaalsContact CB-CG2 3.41Å; Y112-V238 HydrophobicContact CD1-CG1 3.5Å; Y112-V238 HydrophobicContact CE1-CG1 3.71Å; T113-V238 HydrophobicContact CG2-CG1 4.03Å; T113-V238 HydrophobicContact CG2-CG2 4.47Å; A204-V238 WeakPolarHBondContact O-CG2 3.46Å; A204-V238 PolarHBondContact O-N 3.15Å; A204-V238 VanDerWaalsContact O-N 3.16Å; A205-V238 CarbonylContact C-O 3.49Å; A205-V238 WeakPolarHBondContact CA-O 3.44Å; A205-V238 HydrophobicContact CB-CG2 4.14Å; F206-V238 PolarHBondContact N-O 3.42Å; V238-D268 WeakPolarHBondContact CA-OD2 3.49Å; V238-D268 HydrophobicContact CB-CB 3.83Å; V238-D268 HydrophobicContact CG1-CB 4.13Å; V238-M269 HydrophobicContact CG2-CE 3.8Å; V238-V291 HydrophobicContact CG1-CG2 4.49Å
239V98.9Very high98.5Very high0 Ų021.6 Ų21.60%012%0.122CC..EExtended strand (participates in β ladder)trans-99.5124.6174.11750000110.5F206 L225 I229 V232 V241 P267 D268 M269F206-V239 HydrophobicContact CB-CG2 4.48Å; F206-V239 HydrophobicContact CD1-CG1 4.2Å; L225-V239 HydrophobicContact CD1-CG1 4.11Å; I229-V239 HydrophobicContact CB-CG2 4.38Å; I229-V239 HydrophobicContact CG1-CB 4.18Å; I229-V239 HydrophobicContact CG1-CG1 4.05Å; I229-V239 HydrophobicContact CG1-CG2 3.87Å; V232-V239 HydrophobicContact CB-CG2 3.82Å; V232-V239 HydrophobicContact CG1-CG2 3.76Å; V232-V239 HydrophobicContact CG2-CG2 4.2Å; V239-V241 HydrophobicContact CG1-CG2 4.23Å; V239-P267 HydrophobicContact CB-CB 4.4Å; V239-P267 HydrophobicContact CG1-CB 3.91Å; V239-D268 PolarHBondContact N-OD2 3.41Å; V239-D268 PolarHBondContact O-N 2.95Å; V239-M269 PolarHBondContact O-N 3.33Å
240I98.9Very high98.5Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-113.8123.9175.6-53.8170.1000108.9A105 A109 A205 F206 F207 M208 M269 T271A105-I240 HydrophobicContact CB-CD1 4.06Å; A105-I240 HydrophobicContact CB-CG2 4.03Å; A109-I240 HydrophobicContact CB-CD1 4.07Å; A205-I240 HydrophobicContact CB-CD1 3.75Å; A205-I240 HydrophobicContact CB-CG1 4.28Å; F206-I240 PolarHBondContact O-N 3.36Å; F207-I240 HydrophobicContact CD1-CB 4.46Å; F207-I240 HydrophobicContact CD1-CG2 4.32Å; F207-I240 HydrophobicContact CD2-CB 3.97Å; F207-I240 HydrophobicContact CD2-CD1 3.64Å; F207-I240 HydrophobicContact CD2-CG1 4.38Å; F207-I240 HydrophobicContact CD2-CG2 4.13Å; F207-I240 HydrophobicContact CE1-CG2 3.94Å; F207-I240 HydrophobicContact CE2-CB 4.07Å; F207-I240 HydrophobicContact CE2-CD1 3.62Å; F207-I240 HydrophobicContact CE2-CG1 4.45Å; F207-I240 HydrophobicContact CE2-CG2 3.72Å; F207-I240 HydrophobicContact CG-CB 4.17Å; F207-I240 HydrophobicContact CG-CG2 4.4Å; F207-I240 HydrophobicContact CZ-CB 4.35Å; F207-I240 HydrophobicContact CZ-CG2 3.6Å; M208-I240 PolarHBondContact N-O 2.86Å; M208-I240 VanDerWaalsContact N-O 3.15Å; I240-M269 HydrophobicContact CD1-CE 3.86Å; I240-M269 HydrophobicContact CG1-CB 4.27Å; I240-M269 HydrophobicContact CG1-CE 3.78Å; I240-M269 HydrophobicContact CG2-CB 4.36Å; I240-T271 HydrophobicContact CG2-CG2 3.97Å
241V98.8Very high98.4Very high0 Ų019.2 Ų19.20%011%0.11CC..EExtended strand (participates in β ladder)trans-108.5120.9175.7176.40000110.1M208 A210 L225 V239 E243 Y258 P267 M269 I270 T271M208-V241 HydrophobicContact CG-CG2 4.46Å; A210-V241 HydrophobicContact CB-CG1 3.62Å; L225-V241 HydrophobicContact CD2-CG2 4.26Å; V239-V241 HydrophobicContact CG1-CG2 4.23Å; V241-E243 HydrophobicContact CG1-CG 4.13Å; V241-E243 PolarHBondContact O-N 3.09Å; V241-Y258 HydrophobicContact CG1-CD1 4.44Å; V241-Y258 HydrophobicContact CG1-CG 4.36Å; V241-P267 HydrophobicContact CB-CB 4.24Å; V241-P267 HydrophobicContact CB-CG 4.07Å; V241-P267 HydrophobicContact CG2-CB 3.62Å; V241-P267 HydrophobicContact CG2-CG 3.82Å; V241-M269 PolarHBondContact N-O 3.38Å; V241-I270 WeakPolarHBondContact O-CA 3.23Å; V241-T271 PolarHBondContact O-N 3.49Å
242D98.8Very high98.4Very high8 Ų817 Ų174%0.04310%0.101CC..EExtended strand (participates in β ladder)trans-83.8102.2175.2-176.5-20.3000110.5N102 H126 F207 M208 A210 V244 T271N102-D242 PolarHBondContact ND2-OD2 3.17Å; H126-D242 IonicContact CE1-OD2 3.41Å; H126-D242 IonicContact ND1-OD2 3.43Å; H126-D242 PolarHBondContact ND1-OD2 3.1Å; F207-D242 HydrophobicContact CE1-CB 4.06Å; M208-D242 WeakPolarHBondContact O-CB 3.33Å; M208-D242 PolarHBondContact O-N 2.69Å; A210-D242 PolarHBondContact N-O 2.96Å; D242-V244 WeakPolarHBondContact OD1-CB 3.24Å; D242-V244 WeakPolarHBondContact OD1-CG2 3.34Å; D242-V244 PolarHBondContact OD1-N 3.11Å; D242-T271 WeakPolarHBondContact CA-OG1 3.28Å
243E98.4Very high98.4Very high0 Ų020.2 Ų20.20%012%0.124CC..  trans-99.412.9174.6-73.3-79.5-169.300111.7A210 V241 Q245 T246 G247 W256 A257 Y258 I270 T271A210-E243 HydrophobicContact CB-CG 4.08Å; A210-E243 VanDerWaalsContact CB-OE1 3.3Å; A210-E243 WeakPolarHBondContact CB-OE1 3.36Å; V241-E243 HydrophobicContact CG1-CG 4.13Å; V241-E243 PolarHBondContact O-N 3.09Å; E243-Q245 PolarHBondContact O-N 2.73Å; E243-Q245 VanDerWaalsContact O-N 3.07Å; E243-T246 PolarHBondContact O-N 3.15Å; E243-T246 WeakPolarHBondContact OE2-CB 3.5Å; E243-T246 PolarHBondContact OE2-OG1 3.16Å; E243-G247 PolarHBondContact O-N 2.9Å; E243-G247 WeakPolarHBondContact OE2-CA 3.21Å; E243-G247 PolarHBondContact OE2-N 2.75Å; E243-W256 HydrophobicContact CB-CE3 3.87Å; E243-W256 HydrophobicContact CB-CZ3 4.04Å; E243-W256 HydrophobicContact CG-CE3 3.78Å; E243-W256 HydrophobicContact CG-CZ3 4.4Å; E243-W256 WeakPolarHBondContact OE1-CB 3.48Å; E243-A257 PolarHBondContact OE1-N 2.86Å; E243-A257 PolarHBondContact OE2-N 2.97Å; E243-Y258 WeakPolarHBondContact OE1-CD1 3.46Å; E243-Y258 PolarHBondContact OE1-N 2.87Å; E243-I270 HydrophobicContact CB-CG2 3.84Å; E243-I270 HydrophobicContact CG-CG2 3.69Å; E243-T271 CarbonylContact C-O 3.51Å; E243-T271 WeakPolarHBondContact CA-O 3.39Å; E243-T271 WeakPolarHBondContact CB-O 3.17Å; E243-T271 PolarHBondContact N-O 2.97Å
244V98.5Very high98.4Very high8 Ų817.8 Ų17.85%0.04812%0.115CC..THydrogen-bonded Turntrans-56-33.3-176.41740000110.7D242 T271 K274 P275D242-V244 WeakPolarHBondContact OD1-CB 3.24Å; D242-V244 WeakPolarHBondContact OD1-CG2 3.34Å; D242-V244 PolarHBondContact OD1-N 3.11Å; V244-T271 PolarHBondContact N-O 3.15Å; V244-K274 HydrophobicContact CG1-CB 4.36Å; V244-K274 HydrophobicContact CG1-CD 3.82Å; V244-K274 HydrophobicContact CG1-CG 3.76Å; V244-K274 WeakPolarHBondContact O-CB 3.48Å; V244-P275 WeakPolarHBondContact O-CD 3.29Å
245Q96.5Very high98.3Very high16 Ų1612.3 Ų12.38%0.0759%0.089CC..THydrogen-bonded Turntrans-97.4-25.2178.9-68.2-166.792.400115.1N41 E209 S213 E243 K274 K408N41-Q245 WeakPolarHBondContact ND2-CG 3.49Å; N41-Q245 PolarHBondContact ND2-OE1 3.23Å; E209-Q245 PolarHBondContact OE1-NE2 2.88Å; E209-Q245 VanDerWaalsContact OE1-NE2 3.1Å; S213-Q245 VanDerWaalsContact CB-NE2 3.31Å; E243-Q245 PolarHBondContact O-N 2.73Å; E243-Q245 VanDerWaalsContact O-N 3.07Å; Q245-K274 VanDerWaalsContact CD-NZ 3.3Å; Q245-K274 HydrophobicContact CG-CD 3.95Å; Q245-K408 VanDerWaalsContact OE1-NZ 3.13Å
246T97.6Very high98.3Very high2 Ų210.3 Ų10.31%0.0127%0.073CC..THydrogen-bonded Turntrans-121.6-11.1-156.9500000113.7L211 E243 R250 A257 F362L211-T246 HydrophobicContact CB-CG2 3.92Å; L211-T246 HydrophobicContact CD1-CG2 4.19Å; L211-T246 HydrophobicContact CG-CG2 4.17Å; E243-T246 PolarHBondContact O-N 3.15Å; E243-T246 WeakPolarHBondContact OE2-CB 3.5Å; E243-T246 PolarHBondContact OE2-OG1 3.16Å; T246-R250 VanDerWaalsContact O-CB 3.31Å; T246-R250 WeakPolarHBondContact O-CB 3.44Å; T246-A257 HydrophobicContact CG2-CB 4.48Å; T246-F362 HydrophobicContact CG2-CD2 3.94Å; T246-F362 HydrophobicContact CG2-CE2 3.65Å; T246-F362 HydrophobicContact CG2-CZ 4.41Å
247G97.9Very high98.3Very high0 Ų08.2 Ų8.20%05%0.051CC..THydrogen-bonded Turntrans-67.9-173.3176.700000112.8E243 G249 F255E243-G247 PolarHBondContact O-N 2.9Å; E243-G247 WeakPolarHBondContact OE2-CA 3.21Å; E243-G247 PolarHBondContact OE2-N 2.75Å; G247-G249 PolarHBondContact O-N 3.13Å; G247-F255 CarbonylContact C-O 3.59Å
248F98.5Very high98.3Very high1 Ų18.2 Ų8.20%0.0045%0.049CC..THydrogen-bonded Turntrans61.437.1174.8-62.3-96.1000114.4H44 L81 R250 F255 M272 P275 M276 L319 L322H44-F248 WeakPolarHBondContact NE2-CB 3.37Å; H44-F248 PolarHBondContact NE2-O 2.99Å; L81-F248 HydrophobicContact CD1-CE1 4.32Å; F248-R250 VanDerWaalsContact C-N 3.33Å; F248-R250 PolarHBondContact O-N 3.49Å; F248-F255 HydrophobicContact CB-CZ 4.3Å; F248-F255 HydrophobicContact CD1-CE1 4.16Å; F248-F255 AromaticContact CD1-CZ 3.8Å; F248-F255 HydrophobicContact CD1-CZ 3.8Å; F248-F255 HydrophobicContact CG-CE1 4.36Å; F248-F255 HydrophobicContact CG-CZ 4.26Å; F248-F255 PolarHBondContact N-O 3.4Å; F248-M272 HydrophobicContact CD2-CE 4.41Å; F248-M272 HydrophobicContact CE1-CE 4.18Å; F248-M272 HydrophobicContact CE2-CB 4.42Å; F248-M272 HydrophobicContact CE2-CE 3.25Å; F248-M272 HydrophobicContact CZ-CE 3.1Å; F248-P275 HydrophobicContact CB-CB 3.92Å; F248-P275 HydrophobicContact CD2-CB 3.56Å; F248-P275 HydrophobicContact CD2-CG 4.28Å; F248-P275 HydrophobicContact CE2-CB 4.22Å; F248-P275 HydrophobicContact CG-CB 3.86Å; F248-M276 HydrophobicContact CE1-CB 4.43Å; F248-M276 HydrophobicContact CE2-CB 3.79Å; F248-M276 HydrophobicContact CE2-CG 4.43Å; F248-M276 VanDerWaalsContact CZ-CA 3.42Å; F248-M276 HydrophobicContact CZ-CB 3.51Å; F248-M276 HydrophobicContact CZ-CG 3.73Å; F248-L319 HydrophobicContact CD1-CD2 3.94Å; F248-L319 HydrophobicContact CE1-CD2 3.82Å; F248-L322 HydrophobicContact CB-CD1 3.94Å; F248-L322 HydrophobicContact CD1-CD1 3.84Å; F248-L322 HydrophobicContact CG-CD1 4.4Å
249G98.3Very high98.2Very high0 Ų010.2 Ų10.20%06%0.059CC..THydrogen-bonded Turntrans81.37.1171.200000115.1G247 A251 G252 V254 F255 M411G247-G249 PolarHBondContact O-N 3.13Å; G249-A251 PolarHBondContact O-N 3.12Å; G249-G252 WeakPolarHBondContact O-CA 3.44Å; G249-G252 PolarHBondContact O-N 3.14Å; G249-V254 WeakPolarHBondContact CA-O 3.25Å; G249-F255 PolarHBondContact N-O 2.8Å; G249-M411 VanDerWaalsContact C-CE 3.48Å; G249-M411 WeakPolarHBondContact O-CE 3.15Å
250R98.5Very high98.1Very high1 Ų112.3 Ų12.30%0.0047%0.073CC..THydrogen-bonded Turntrans-50.4-41.8179.3173.855.256.9-179.12113.5H44 T246 F248 G252 L361 F362 P409 M411H44-R250 PolarHBondContact ND1-NH2 3.43Å; T246-R250 VanDerWaalsContact O-CB 3.31Å; T246-R250 WeakPolarHBondContact O-CB 3.44Å; F248-R250 VanDerWaalsContact C-N 3.33Å; F248-R250 PolarHBondContact O-N 3.49Å; R250-G252 PolarHBondContact O-N 2.8Å; R250-L361 WeakPolarHBondContact CD-O 3.37Å; R250-L361 PolarHBondContact NH1-O 3.03Å; R250-L361 PolarHBondContact O-N 3.3Å; R250-F362 HydrophobicContact CG-CB 4.15Å; R250-P409 PolarHBondContact NH1-O 2.89Å; R250-P409 PolarHBondContact NH2-O 3.47Å; R250-M411 HydrophobicContact CB-SD 4.49Å
251A98.2Very high98Very high2 Ų213 Ų132%0.0178%0.076CC..THydrogen-bonded Turntrans-67.5-1417800000113.2G249 S253 V254 A257 L359 G360G249-A251 PolarHBondContact O-N 3.12Å; A251-S253 PolarHBondContact O-N 3.01Å; A251-V254 HydrophobicContact CB-CG2 3.86Å; A251-A257 HydrophobicContact CB-CB 4.27Å; A251-L359 HydrophobicContact CB-CD2 3.94Å; A251-L359 HydrophobicContact CB-CG 3.88Å; A251-G360 VanDerWaalsContact O-CA 3.3Å; A251-G360 WeakPolarHBondContact O-CA 3.18Å; A251-G360 PolarHBondContact O-N 2.86Å
252G98.4Very high97.9Very high3 Ų313 Ų133%0.0318%0.076CC..SBendtrans78.1-58.5179.700000112.9G249 R250 V254 Q328G249-G252 WeakPolarHBondContact O-CA 3.44Å; G249-G252 PolarHBondContact O-N 3.14Å; R250-G252 PolarHBondContact O-N 2.8Å; G252-V254 VanDerWaalsContact C-N 3.28Å; G252-V254 PolarHBondContact O-N 3.18Å; G252-Q328 WeakPolarHBondContact CA-O 3.35Å; G252-Q328 WeakPolarHBondContact O-CG 3.49Å; G252-Q328 PolarHBondContact O-NE2 3.24Å
253S98Very high97.7Very high69 Ų6917 Ų1748%0.48310%0.103SC..SBendtrans-68.2-25.6-178.353.20000114A251A251-S253 PolarHBondContact O-N 3.01Å
254V98.2Very high97.5Very high27 Ų2722.4 Ų22.416%0.16413%0.128CC..  trans-139.2153.6-175.8-68.90000110.9G249 A251 G252 W256 Q259 Q328G249-V254 WeakPolarHBondContact CA-O 3.25Å; A251-V254 HydrophobicContact CB-CG2 3.86Å; G252-V254 VanDerWaalsContact C-N 3.28Å; G252-V254 PolarHBondContact O-N 3.18Å; V254-W256 WeakPolarHBondContact CG2-O 3.48Å; V254-Q259 HydrophobicContact CB-CB 3.95Å; V254-Q259 HydrophobicContact CG1-CB 3.83Å; V254-Q259 HydrophobicContact CG2-CB 4.27Å; V254-Q328 VanDerWaalsContact C-NE2 3.25Å; V254-Q328 PolarHBondContact O-NE2 2.96Å
255F98.3Very high97.3Very high30 Ų3022.4 Ų22.413%0.13213%0.129CC..SBendtrans-77.3-39.6179-165.1-89.1000111.7L81 T84 G247 F248 G249 L319 L322L81-F255 HydrophobicContact CD1-CE1 4.15Å; T84-F255 HydrophobicContact CG2-CD1 4.2Å; T84-F255 HydrophobicContact CG2-CD2 4.35Å; T84-F255 HydrophobicContact CG2-CE1 4.08Å; T84-F255 HydrophobicContact CG2-CE2 4.24Å; T84-F255 HydrophobicContact CG2-CG 4.32Å; T84-F255 HydrophobicContact CG2-CZ 4.09Å; G247-F255 CarbonylContact C-O 3.59Å; F248-F255 HydrophobicContact CB-CZ 4.3Å; F248-F255 HydrophobicContact CD1-CE1 4.16Å; F248-F255 AromaticContact CD1-CZ 3.8Å; F248-F255 HydrophobicContact CD1-CZ 3.8Å; F248-F255 HydrophobicContact CG-CE1 4.36Å; F248-F255 HydrophobicContact CG-CZ 4.26Å; F248-F255 PolarHBondContact N-O 3.4Å; G249-F255 PolarHBondContact N-O 2.8Å; F255-L319 HydrophobicContact CZ-CD2 3.87Å; F255-L322 HydrophobicContact CE2-CD1 4.41Å; F255-L322 HydrophobicContact CZ-CD1 4.48Å
256W98.4Very high97.3Very high0 Ų022.5 Ų22.50%013%0.133CC..SBendtrans-107123.3172.9-55.3103.4000108.8L81 T84 L85 E243 V254 Y258 Q259 I270 M272L81-W256 HydrophobicContact CD1-CH2 4.18Å; L81-W256 HydrophobicContact CD1-CZ2 3.86Å; L81-W256 HydrophobicContact CG-CZ2 4.37Å; T84-W256 PolarHBondContact O-NE1 2.72Å; T84-W256 PolarHBondContact OG1-NE1 3.46Å; L85-W256 HydrophobicContact CD1-CZ2 4.21Å; L85-W256 HydrophobicContact CD2-CD2 4.24Å; L85-W256 VanDerWaalsContact CD2-CE2 3.44Å; L85-W256 HydrophobicContact CD2-CH2 4.18Å; L85-W256 HydrophobicContact CD2-CZ2 3.45Å; L85-W256 VanDerWaalsContact CD2-CZ2 3.45Å; L85-W256 HydrophobicContact CG-CZ2 3.66Å; E243-W256 HydrophobicContact CB-CE3 3.87Å; E243-W256 HydrophobicContact CB-CZ3 4.04Å; E243-W256 HydrophobicContact CG-CE3 3.78Å; E243-W256 HydrophobicContact CG-CZ3 4.4Å; E243-W256 WeakPolarHBondContact OE1-CB 3.48Å; V254-W256 WeakPolarHBondContact CG2-O 3.48Å; W256-Y258 HydrophobicContact CB-CD1 3.72Å; W256-Y258 HydrophobicContact CB-CE1 3.66Å; W256-Y258 HydrophobicContact CG-CE1 4.34Å; W256-Y258 PolarHBondContact O-N 2.78Å; W256-Q259 HydrophobicContact CB-CG 4.16Å; W256-Q259 VanDerWaalsContact O-CB 3.3Å; W256-Q259 WeakPolarHBondContact O-CB 3.07Å; W256-Q259 PolarHBondContact O-N 3.08Å; W256-Q259 VanDerWaalsContact O-N 3.07Å; W256-I270 HydrophobicContact CE3-CG2 4.2Å; W256-I270 HydrophobicContact CZ3-CG2 4.08Å; W256-M272 HydrophobicContact CH2-CE 3.29Å; W256-M272 HydrophobicContact CH2-SD 3.71Å; W256-M272 HydrophobicContact CZ2-CE 4.38Å; W256-M272 HydrophobicContact CZ3-CB 4.4Å; W256-M272 HydrophobicContact CZ3-CE 3.84Å; W256-M272 HydrophobicContact CZ3-SD 4.26Å
257A98.2Very high97.3Very high1 Ų122.4 Ų22.41%0.00813%0.132CC..G310 helixtrans-63.2-26.9-170.800000113.7A210 L211 E243 T246 A251 Q259 S260A210-A257 HydrophobicContact CB-CB 4.15Å; L211-A257 HydrophobicContact CD1-CB 3.89Å; L211-A257 HydrophobicContact CD2-CB 4.43Å; L211-A257 HydrophobicContact CG-CB 3.79Å; E243-A257 PolarHBondContact OE1-N 2.86Å; E243-A257 PolarHBondContact OE2-N 2.97Å; T246-A257 HydrophobicContact CG2-CB 4.48Å; A251-A257 HydrophobicContact CB-CB 4.27Å; A257-Q259 PolarHBondContact O-N 3.47Å; A257-S260 WeakPolarHBondContact O-CB 3.49Å; A257-S260 PolarHBondContact O-N 3.26Å; A257-S260 PolarHBondContact O-OG 3.39Å
258Y97.8Very high97.3Very high3 Ų322.9 Ų22.91%0.01214%0.135CC..G310 helixtrans-60.3-30.5176.686.5-92.2000111.9P86 L225 V241 E243 W256 S260 H261 C262 A265 I270P86-Y258 WeakPolarHBondContact CG-OH 3.46Å; L225-Y258 HydrophobicContact CD2-CD2 3.96Å; L225-Y258 HydrophobicContact CD2-CG 4.38Å; V241-Y258 HydrophobicContact CG1-CD1 4.44Å; V241-Y258 HydrophobicContact CG1-CG 4.36Å; E243-Y258 WeakPolarHBondContact OE1-CD1 3.46Å; E243-Y258 PolarHBondContact OE1-N 2.87Å; W256-Y258 HydrophobicContact CB-CD1 3.72Å; W256-Y258 HydrophobicContact CB-CE1 3.66Å; W256-Y258 HydrophobicContact CG-CE1 4.34Å; W256-Y258 PolarHBondContact O-N 2.78Å; Y258-S260 PolarHBondContact O-N 3.38Å; Y258-S260 VanDerWaalsContact O-N 3.1Å; Y258-H261 PolarHBondContact O-N 3.31Å; Y258-H261 VanDerWaalsContact O-N 3.15Å; Y258-C262 PolarHBondContact O-N 3.26Å; Y258-A265 WeakPolarHBondContact CE2-O 3.32Å; Y258-I270 HydrophobicContact CD1-CD1 4.18Å; Y258-I270 HydrophobicContact CE1-CD1 3.59Å
259Q97.5Very high97.3Very high43 Ų4322.9 Ų22.920%0.20114%0.135CC..G310 helixtrans-65.8-13.4178.7-59.5177.7-57.700112.4V254 W256 A257 H261 P263V254-Q259 HydrophobicContact CB-CB 3.95Å; V254-Q259 HydrophobicContact CG1-CB 3.83Å; V254-Q259 HydrophobicContact CG2-CB 4.27Å; W256-Q259 HydrophobicContact CB-CG 4.16Å; W256-Q259 VanDerWaalsContact O-CB 3.3Å; W256-Q259 WeakPolarHBondContact O-CB 3.07Å; W256-Q259 PolarHBondContact O-N 3.08Å; W256-Q259 VanDerWaalsContact O-N 3.07Å; A257-Q259 PolarHBondContact O-N 3.47Å; Q259-H261 VanDerWaalsContact C-N 3.25Å; Q259-H261 PolarHBondContact O-N 3.03Å; Q259-P263 WeakPolarHBondContact O-CB 3.32Å; Q259-P263 WeakPolarHBondContact O-CD 3.43Å
260S96.9Very high97.3Very high44 Ų4422.9 Ų22.931%0.30814%0.135SC..G310 helixtrans-72.3-21.2176.378.20000113.1A257 Y258 L359A257-S260 WeakPolarHBondContact O-CB 3.49Å; A257-S260 PolarHBondContact O-N 3.26Å; A257-S260 PolarHBondContact O-OG 3.39Å; Y258-S260 PolarHBondContact O-N 3.38Å; Y258-S260 VanDerWaalsContact O-N 3.1Å; S260-L359 VanDerWaalsContact CB-CD2 3.5Å; S260-L359 VanDerWaalsContact OG-CD2 3.22Å; S260-L359 WeakPolarHBondContact OG-CD2 3.37Å
261H95.8Very high97.4Very high14 Ų1422.8 Ų22.87%0.06514%0.135CC..THydrogen-bonded Turntrans-127.6-7.3-179.159.581.5000113.5A210 Y258 Q259A210-H261 PolarHBondContact O-NE2 3.48Å; Y258-H261 PolarHBondContact O-N 3.31Å; Y258-H261 VanDerWaalsContact O-N 3.15Å; Q259-H261 VanDerWaalsContact C-N 3.25Å; Q259-H261 PolarHBondContact O-N 3.03Å
262C96.7Very high97.4Very high0 Ų022.7 Ų22.70%013%0.134CC..  trans-148.567.2172.8-168.20000111.4L225 Y258 E264L225-C262 HydrophobicContact CB-CB 3.93Å; L225-C262 HydrophobicContact CD2-CB 3.95Å; L225-C262 HydrophobicContact CG-CB 4.08Å; Y258-C262 PolarHBondContact O-N 3.26Å; C262-E264 PolarHBondContact O-N 2.81Å; C262-E264 PolarHBondContact SG-OE1 3.02Å; C262-E264 VanDerWaalsContact SG-OE1 3.39Å
263P94.9Very high97.4Very high93 Ų9322.6 Ų22.660%0.60413%0.133SC*.THydrogen-bonded Turntrans-66.3-22178.726.7-35.6000114.3Q259Q259-P263 WeakPolarHBondContact O-CB 3.32Å; Q259-P263 WeakPolarHBondContact O-CD 3.43Å
264E93.9Very high97.4Very high113 Ų11322.5 Ų22.553%0.52812%0.124SC..THydrogen-bonded Turntrans-91.7-13.2-17072.6-71.1166.300115R226 C262R226-E264 VanDerWaalsContact CB-OE1 3.27Å; R226-E264 WeakPolarHBondContact CB-OE1 3.4Å; R226-E264 WeakPolarHBondContact CG-OE1 3.5Å; C262-E264 PolarHBondContact O-N 2.81Å; C262-E264 PolarHBondContact SG-OE1 3.02Å; C262-E264 VanDerWaalsContact SG-OE1 3.39Å
265A94.6Very high97.4Very high8 Ų821.2 Ų21.27%0.06612%0.116CC..  trans-133.1131.9-177.600000111.4I229 Y258I229-A265 HydrophobicContact CD1-CB 3.8Å; Y258-A265 WeakPolarHBondContact CE2-O 3.32Å
266A95.9Very high97.4Very high19 Ų1919.8 Ų19.816%0.15711%0.109CC..  trans-90.6142.9175.100000110.7P86 L89P86-A266 HydrophobicContact CB-CB 3.75Å; P86-A266 HydrophobicContact CG-CB 3.7Å; L89-A266 HydrophobicContact CD1-CB 4.21Å
267P98Very high97.4Very high0 Ų019.8 Ų19.80%011%0.109CC..  trans-69.6170.5165.334-37.1000110.9L89 V239 V241 I270L89-P267 HydrophobicContact CD1-CG 4.32Å; V239-P267 HydrophobicContact CB-CB 4.4Å; V239-P267 HydrophobicContact CG1-CB 3.91Å; V241-P267 HydrophobicContact CB-CB 4.24Å; V241-P267 HydrophobicContact CB-CG 4.07Å; V241-P267 HydrophobicContact CG2-CB 3.62Å; V241-P267 HydrophobicContact CG2-CG 3.82Å; P267-I270 HydrophobicContact CG-CD1 4.02Å; P267-I270 HydrophobicContact CG-CG1 3.55Å
268D98.6Very high97.4Very high10 Ų1020.4 Ų20.45%0.05311%0.113CC..SBendtrans-77.8-30.3176.9-61.7-65.8000112.3L89 H233 V238 V239 A287 R288 V291L89-D268 WeakPolarHBondContact CD2-O 3.24Å; H233-D268 IonicContact CD2-OD2 3.51Å; H233-D268 IonicContact CE1-OD1 2.65Å; H233-D268 IonicContact CE1-OD2 3.79Å; H233-D268 IonicContact NE2-OD1 3.27Å; H233-D268 PolarHBondContact NE2-OD1 3.23Å; H233-D268 IonicContact NE2-OD2 3.41Å; H233-D268 PolarHBondContact NE2-OD2 3.48Å; V238-D268 WeakPolarHBondContact CA-OD2 3.49Å; V238-D268 HydrophobicContact CB-CB 3.83Å; V238-D268 HydrophobicContact CG1-CB 4.13Å; V239-D268 PolarHBondContact N-OD2 3.41Å; V239-D268 PolarHBondContact O-N 2.95Å; D268-A287 WeakPolarHBondContact O-CA 3.49Å; D268-R288 PolarHBondContact O-N 3.3Å; D268-R288 WeakPolarHBondContact OD1-CD 3.43Å; D268-V291 HydrophobicContact CB-CG2 4.33Å
269M98.8Very high97.3Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-142.1146.3175.2-65.3-178.3-93.800111.6A105 I108 A109 V238 V239 I240 V241 V285 V286 A287 V291A105-M269 HydrophobicContact CB-SD 4.19Å; I108-M269 HydrophobicContact CB-CE 4.33Å; I108-M269 HydrophobicContact CB-SD 3.93Å; I108-M269 HydrophobicContact CD1-SD 4.4Å; I108-M269 HydrophobicContact CG2-CE 4.04Å; I108-M269 HydrophobicContact CG2-SD 3.65Å; A109-M269 HydrophobicContact CB-CE 3.88Å; V238-M269 HydrophobicContact CG2-CE 3.8Å; V239-M269 PolarHBondContact O-N 3.33Å; I240-M269 HydrophobicContact CD1-CE 3.86Å; I240-M269 HydrophobicContact CG1-CB 4.27Å; I240-M269 HydrophobicContact CG1-CE 3.78Å; I240-M269 HydrophobicContact CG2-CB 4.36Å; V241-M269 PolarHBondContact N-O 3.38Å; M269-V285 HydrophobicContact CB-CG1 4.3Å; M269-V285 HydrophobicContact CG-CG1 4.39Å; M269-V285 HydrophobicContact SD-CG1 4.04Å; M269-V286 CarbonylContact C-O 3.52Å; M269-V286 WeakPolarHBondContact CA-O 3.43Å; M269-A287 HydrophobicContact CG-CB 3.67Å; M269-A287 HydrophobicContact SD-CB 4.28Å; M269-V291 HydrophobicContact CE-CG1 4.03Å; M269-V291 HydrophobicContact CG-CG1 4.35Å; M269-V291 HydrophobicContact SD-CG1 4.29Å
270I98.7Very high97.3Very high0 Ų023.9 Ų23.90%014%0.137CC..EExtended strand (participates in β ladder)trans-119.2132.7167.6-62.5-179.9000108.4L85 L89 V241 E243 W256 Y258 P267 V286L85-I270 HydrophobicContact CD2-CD1 3.81Å; L89-I270 HydrophobicContact CD1-CD1 3.68Å; L89-I270 HydrophobicContact CD1-CG1 3.96Å; V241-I270 WeakPolarHBondContact O-CA 3.23Å; E243-I270 HydrophobicContact CB-CG2 3.84Å; E243-I270 HydrophobicContact CG-CG2 3.69Å; W256-I270 HydrophobicContact CE3-CG2 4.2Å; W256-I270 HydrophobicContact CZ3-CG2 4.08Å; Y258-I270 HydrophobicContact CD1-CD1 4.18Å; Y258-I270 HydrophobicContact CE1-CD1 3.59Å; P267-I270 HydrophobicContact CG-CD1 4.02Å; P267-I270 HydrophobicContact CG-CG1 3.55Å; I270-V286 PolarHBondContact N-O 3.01Å; I270-V286 PolarHBondContact O-N 3.21Å
271T98.9Very high97.3Very high0 Ų025.2 Ų25.20%015%0.145CC..EExtended strand (participates in β ladder)trans-107.6148.117265.60000110.8N102 A105 I240 V241 D242 E243 V244 A284 V285N102-T271 WeakPolarHBondContact OD1-CB 3.41Å; N102-T271 WeakPolarHBondContact OD1-CG2 3.44Å; N102-T271 PolarHBondContact OD1-OG1 3.43Å; A105-T271 HydrophobicContact CB-CG2 3.5Å; I240-T271 HydrophobicContact CG2-CG2 3.97Å; V241-T271 PolarHBondContact O-N 3.49Å; D242-T271 WeakPolarHBondContact CA-OG1 3.28Å; E243-T271 CarbonylContact C-O 3.51Å; E243-T271 WeakPolarHBondContact CA-O 3.39Å; E243-T271 WeakPolarHBondContact CB-O 3.17Å; E243-T271 PolarHBondContact N-O 2.97Å; V244-T271 PolarHBondContact N-O 3.15Å; T271-A284 WeakPolarHBondContact CA-O 3.48Å; T271-V285 HydrophobicContact CG2-CG1 4.42Å; T271-V285 HydrophobicContact CG2-CG2 4.22Å
272M98.7Very high97.4Very high0 Ų024.8 Ų24.80%014%0.143CC..EExtended strand (participates in β ladder)trans-154.5155.3-170.857.3-165.3-55.600111.9L81 F248 W256 M276 A283 A284 V286L81-M272 HydrophobicContact CD1-CE 4.26Å; L81-M272 HydrophobicContact CD2-CE 3.52Å; L81-M272 HydrophobicContact CD2-SD 3.74Å; L81-M272 HydrophobicContact CG-CE 4.49Å; F248-M272 HydrophobicContact CD2-CE 4.41Å; F248-M272 HydrophobicContact CE1-CE 4.18Å; F248-M272 HydrophobicContact CE2-CB 4.42Å; F248-M272 HydrophobicContact CE2-CE 3.25Å; F248-M272 HydrophobicContact CZ-CE 3.1Å; W256-M272 HydrophobicContact CH2-CE 3.29Å; W256-M272 HydrophobicContact CH2-SD 3.71Å; W256-M272 HydrophobicContact CZ2-CE 4.38Å; W256-M272 HydrophobicContact CZ3-CB 4.4Å; W256-M272 HydrophobicContact CZ3-CE 3.84Å; W256-M272 HydrophobicContact CZ3-SD 4.26Å; M272-M276 HydrophobicContact CE-SD 4.3Å; M272-M276 HydrophobicContact CG-SD 4.25Å; M272-A283 CarbonylContact O-C 3.53Å; M272-A283 VanDerWaalsContact O-CA 3.23Å; M272-A283 WeakPolarHBondContact O-CA 3.4Å; M272-A283 WeakPolarHBondContact O-CB 3.4Å; M272-A284 HydrophobicContact CG-CB 3.85Å; M272-A284 WeakPolarHBondContact CG-O 3.43Å; M272-A284 PolarHBondContact N-O 3.28Å; M272-A284 PolarHBondContact O-N 3.36Å; M272-A284 HydrophobicContact SD-CB 4.08Å; M272-V286 HydrophobicContact SD-CG2 3.98Å
273G98.1Very high97.5Very high1 Ų124.8 Ų24.81%0.0114%0.143CC..  trans-171.7-136.4-177.500000109.3P275 M276G273-P275 WeakPolarHBondContact O-CD 3.49Å; G273-M276 WeakPolarHBondContact O-CB 3.34Å; G273-M276 PolarHBondContact O-N 3.06Å
274K97.7Very high97.7Very high66 Ų6620.3 Ų20.329%0.28711%0.114SC..G310 helixtrans29.1-89.7173.5-61.2174.9-176.2159.70113.8V42 V244 Q245 M276 G277V42-K274 HydrophobicContact CG2-CB 4.11Å; V42-K274 HydrophobicContact CG2-CD 4.18Å; V42-K274 HydrophobicContact CG2-CG 3.97Å; V244-K274 HydrophobicContact CG1-CB 4.36Å; V244-K274 HydrophobicContact CG1-CD 3.82Å; V244-K274 HydrophobicContact CG1-CG 3.76Å; V244-K274 WeakPolarHBondContact O-CB 3.48Å; Q245-K274 VanDerWaalsContact CD-NZ 3.3Å; Q245-K274 HydrophobicContact CG-CD 3.95Å; K274-M276 PolarHBondContact O-N 3.36Å; K274-M276 VanDerWaalsContact O-N 3.08Å; K274-G277 PolarHBondContact O-N 3.04Å
275P98.3Very high97.9Very high0 Ų015 Ų150%09%0.089CC..G310 helixtrans-47.3-36.7174.9-31.335.9000116.3N41 H44 V244 F248 G273 G277 N278N41-P275 WeakPolarHBondContact O-CD 3.47Å; H44-P275 HydrophobicContact CB-CB 3.63Å; H44-P275 HydrophobicContact CB-CG 4.11Å; V244-P275 WeakPolarHBondContact O-CD 3.29Å; F248-P275 HydrophobicContact CB-CB 3.92Å; F248-P275 HydrophobicContact CD2-CB 3.56Å; F248-P275 HydrophobicContact CD2-CG 4.28Å; F248-P275 HydrophobicContact CE2-CB 4.22Å; F248-P275 HydrophobicContact CG-CB 3.86Å; G273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-G277 PolarHBondContact O-N 2.86Å; P275-G277 VanDerWaalsContact O-N 3.12Å; P275-N278 PolarHBondContact O-N 3.35Å; P275-N278 VanDerWaalsContact O-N 3.09Å
276M98.6Very high98.1Very high0 Ų014.6 Ų14.60%09%0.086CC..G310 helixtrans-50.1-41.2-172.9-173.7176.4-177.600113.3Y77 Y94 F248 M272 G273 K274 V282 A283 A284 A315Y77-M276 HydrophobicContact CD1-CE 4.29Å; Y77-M276 HydrophobicContact CE1-CE 3.27Å; Y77-M276 VanDerWaalsContact OH-CE 3.23Å; Y77-M276 WeakPolarHBondContact OH-CE 3.32Å; Y77-M276 WeakPolarHBondContact OH-CG 3.23Å; Y94-M276 HydrophobicContact CD1-CE 4.23Å; Y94-M276 HydrophobicContact CE1-CE 4.18Å; F248-M276 HydrophobicContact CE1-CB 4.43Å; F248-M276 HydrophobicContact CE2-CB 3.79Å; F248-M276 HydrophobicContact CE2-CG 4.43Å; F248-M276 VanDerWaalsContact CZ-CA 3.42Å; F248-M276 HydrophobicContact CZ-CB 3.51Å; F248-M276 HydrophobicContact CZ-CG 3.73Å; M272-M276 HydrophobicContact CE-SD 4.3Å; M272-M276 HydrophobicContact CG-SD 4.25Å; G273-M276 WeakPolarHBondContact O-CB 3.34Å; G273-M276 PolarHBondContact O-N 3.06Å; K274-M276 PolarHBondContact O-N 3.36Å; K274-M276 VanDerWaalsContact O-N 3.08Å; M276-V282 HydrophobicContact CB-CG1 4.07Å; M276-V282 HydrophobicContact CE-CG2 3.6Å; M276-V282 HydrophobicContact CG-CG1 3.73Å; M276-V282 HydrophobicContact CG-CG2 4.3Å; M276-V282 HydrophobicContact SD-CG1 4.22Å; M276-V282 HydrophobicContact SD-CG2 3.89Å; M276-A283 VanDerWaalsContact SD-CA 3.54Å; M276-A284 HydrophobicContact CE-CB 3.94Å; M276-A284 HydrophobicContact SD-CB 4.34Å; M276-A315 HydrophobicContact CE-CB 4.48Å; M276-A315 HydrophobicContact CG-CB 4.06Å; M276-A315 WeakPolarHBondContact O-CA 3.18Å; M276-A315 WeakPolarHBondContact O-CB 3.32Å
277G98.2Very high98.2Very high0 Ų013.7 Ų13.70%08%0.078CC..G310 helixtrans-109.31.9-179.300000114.9K274 P275 G279 Y280K274-G277 PolarHBondContact O-N 3.04Å; P275-G277 PolarHBondContact O-N 2.86Å; P275-G277 VanDerWaalsContact O-N 3.12Å; G277-G279 PolarHBondContact O-N 3.38Å; G277-Y280 WeakPolarHBondContact O-CB 3.36Å; G277-Y280 PolarHBondContact O-N 3.08Å
278N98.2Very high98.2Very high14 Ų1417.3 Ų17.38%0.0759%0.092CC..THydrogen-bonded Turntrans49.439.2-173-165.159.1000113.5V42 Q43 H44 V45 G46 P275 V318V42-N278 CarbonylContact O-C 3.56Å; V42-N278 WeakPolarHBondContact O-CA 3.2Å; Q43-N278 VanDerWaalsContact CA-OD1 3.24Å; Q43-N278 WeakPolarHBondContact CA-OD1 3.48Å; H44-N278 PolarHBondContact N-OD1 3.15Å; V45-N278 HydrophobicContact CG2-CB 3.93Å; V45-N278 WeakPolarHBondContact CG2-OD1 3.32Å; V45-N278 PolarHBondContact N-OD1 2.75Å; G46-N278 PolarHBondContact O-ND2 2.96Å; G46-N278 PolarHBondContact O-OD1 2.75Å; P275-N278 PolarHBondContact O-N 3.35Å; P275-N278 VanDerWaalsContact O-N 3.09Å; N278-V318 HydrophobicContact CB-CG2 3.62Å
279G96Very high98.1Very high40 Ų4023.1 Ų23.141%0.41211%0.113SC..THydrogen-bonded Turntrans99.3-14-17500000115.7G277G277-G279 PolarHBondContact O-N 3.38Å
280Y97.7Very high97.8Very high79 Ų7926.7 Ų26.731%0.3114%0.136SC..SBendtrans-78139.5168.4-159.5-96.8000110.6I56 G277 V282 V310 S311 A314I56-Y280 HydrophobicContact CD1-CD2 3.6Å; I56-Y280 HydrophobicContact CD1-CE2 4.23Å; I56-Y280 HydrophobicContact CD1-CG 3.9Å; I56-Y280 HydrophobicContact CG1-CD2 4.26Å; I56-Y280 HydrophobicContact CG1-CE2 4.5Å; I56-Y280 HydrophobicContact CG1-CG 4.48Å; I56-Y280 HydrophobicContact CG2-CD2 4.44Å; I56-Y280 HydrophobicContact CG2-CE2 3.98Å; G277-Y280 WeakPolarHBondContact O-CB 3.36Å; G277-Y280 PolarHBondContact O-N 3.08Å; Y280-V282 PolarHBondContact O-N 2.79Å; Y280-V282 VanDerWaalsContact O-N 3.09Å; Y280-V310 HydrophobicContact CE1-CG1 4.03Å; Y280-V310 HydrophobicContact CE2-CG1 4.48Å; Y280-V310 VanDerWaalsContact OH-CG1 3.31Å; Y280-V310 WeakPolarHBondContact OH-CG1 3.49Å; Y280-S311 WeakPolarHBondContact CE1-OG 3.18Å; Y280-A314 HydrophobicContact CD1-CB 4.02Å; Y280-A314 HydrophobicContact CG-CB 4.13Å
281P97.7Very high97.8Very high73 Ų7326.8 Ų26.847%0.47414%0.137SC..SBendtrans-63111.7-179.6-23.934.7000112.6S311P281-S311 PolarHBondContact O-OG 3.4Å
282V98.1Very high97.7Very high4 Ų427.1 Ų27.12%0.02414%0.14CC..  trans-166.3139.1172.663.30000109N96 M276 Y280 A315N96-V282 PolarHBondContact O-N 2.84Å; M276-V282 HydrophobicContact CB-CG1 4.07Å; M276-V282 HydrophobicContact CE-CG2 3.6Å; M276-V282 HydrophobicContact CG-CG1 3.73Å; M276-V282 HydrophobicContact CG-CG2 4.3Å; M276-V282 HydrophobicContact SD-CG1 4.22Å; M276-V282 HydrophobicContact SD-CG2 3.89Å; Y280-V282 PolarHBondContact O-N 2.79Å; Y280-V282 VanDerWaalsContact O-N 3.09Å; V282-A315 HydrophobicContact CG1-CB 4.29Å; V282-A315 HydrophobicContact CG2-CB 4.47Å
283A98.5Very high97.4Very high0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-150.5167.2176.800000109.5C95 S97 A101 M272 M276C95-A283 HydrophobicContact CB-CB 4.09Å; C95-A283 PolarHBondContact N-O 2.94Å; C95-A283 PolarHBondContact O-N 3.4Å; S97-A283 WeakPolarHBondContact O-CB 3.12Å; A101-A283 HydrophobicContact CB-CB 4.19Å; M272-A283 CarbonylContact O-C 3.53Å; M272-A283 VanDerWaalsContact O-CA 3.23Å; M272-A283 WeakPolarHBondContact O-CA 3.4Å; M272-A283 WeakPolarHBondContact O-CB 3.4Å; M276-A283 VanDerWaalsContact SD-CA 3.54Å
284A98.5Very high97.1Very high0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-151157.5174.100000112.5F93 Y94 A101 T271 M272 M276F93-A284 CarbonylContact O-C 3.5Å; F93-A284 WeakPolarHBondContact O-CA 3.19Å; Y94-A284 HydrophobicContact CD1-CB 4.08Å; Y94-A284 HydrophobicContact CE1-CB 4.49Å; A101-A284 WeakPolarHBondContact CB-O 3.37Å; T271-A284 WeakPolarHBondContact CA-O 3.48Å; M272-A284 HydrophobicContact CG-CB 3.85Å; M272-A284 WeakPolarHBondContact CG-O 3.43Å; M272-A284 PolarHBondContact N-O 3.28Å; M272-A284 PolarHBondContact O-N 3.36Å; M272-A284 HydrophobicContact SD-CB 4.08Å; M276-A284 HydrophobicContact CE-CB 3.94Å; M276-A284 HydrophobicContact SD-CB 4.34Å
285V98.7Very high96.9Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-107.6129.5156.8-173.40000106.7F93 A101 L104 A105 I108 M269 T271F93-V285 HydrophobicContact CB-CB 4.36Å; F93-V285 PolarHBondContact N-O 3.21Å; F93-V285 PolarHBondContact O-N 2.87Å; A101-V285 HydrophobicContact CB-CG2 4.07Å; A101-V285 WeakPolarHBondContact O-CG2 3.43Å; L104-V285 HydrophobicContact CB-CG2 4.12Å; L104-V285 HydrophobicContact CD2-CG2 4.14Å; L104-V285 HydrophobicContact CG-CG2 4.24Å; A105-V285 HydrophobicContact CB-CG1 3.94Å; A105-V285 HydrophobicContact CB-CG2 4.11Å; I108-V285 HydrophobicContact CD1-CG1 4.22Å; M269-V285 HydrophobicContact CB-CG1 4.3Å; M269-V285 HydrophobicContact CG-CG1 4.39Å; M269-V285 HydrophobicContact SD-CG1 4.04Å; T271-V285 HydrophobicContact CG2-CG1 4.42Å; T271-V285 HydrophobicContact CG2-CG2 4.22Å
286V98.6Very high96.2Very high0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-111.3121.5168.7-1690000107.8L85 L89 T91 F92 M269 I270 M272L85-V286 HydrophobicContact CD1-CB 4.39Å; L85-V286 HydrophobicContact CD1-CG1 3.93Å; L85-V286 HydrophobicContact CD1-CG2 4.13Å; L89-V286 HydrophobicContact CB-CG1 4.15Å; L89-V286 WeakPolarHBondContact O-CG1 3.26Å; T91-V286 WeakPolarHBondContact O-CA 3.47Å; F92-V286 HydrophobicContact CD1-CG2 3.59Å; F92-V286 HydrophobicContact CE1-CB 4.43Å; F92-V286 HydrophobicContact CE1-CG1 4.21Å; F92-V286 HydrophobicContact CE1-CG2 3.38Å; F92-V286 HydrophobicContact CE2-CG1 4.25Å; F92-V286 HydrophobicContact CG-CG2 4.38Å; F92-V286 HydrophobicContact CZ-CG1 4.08Å; F92-V286 HydrophobicContact CZ-CG2 4.06Å; M269-V286 CarbonylContact C-O 3.52Å; M269-V286 WeakPolarHBondContact CA-O 3.43Å; I270-V286 PolarHBondContact N-O 3.01Å; I270-V286 PolarHBondContact O-N 3.21Å; M272-V286 HydrophobicContact SD-CG2 3.98Å
287A98.5Very high95.2Very high0 Ų041.5 Ų41.50%022%0.218CC..EExtended strand (participates in β ladder)trans-118.3154.5-176.500000111.3N90 T91 F93 D268 M269 A292N90-A287 PolarHBondContact N-O 3.37Å; T91-A287 PolarHBondContact N-O 3.18Å; T91-A287 PolarHBondContact O-N 3.02Å; F93-A287 HydrophobicContact CE2-CB 4.45Å; D268-A287 WeakPolarHBondContact O-CA 3.49Å; M269-A287 HydrophobicContact CG-CB 3.67Å; M269-A287 HydrophobicContact SD-CB 4.28Å; A287-A292 HydrophobicContact CB-CB 4.04Å
288R97.7Very high94.3Very high77 Ų7745.4 Ų45.429%0.29126%0.258SS..EExtended strand (participates in β ladder)trans-60.7140.4164.9-68175.170.9104.310.4108.9D88 L89 D268 V291 A292D88-R288 WeakPolarHBondContact O-CA 3.49Å; D88-R288 IonicContact OD2-CZ 2.9Å; D88-R288 IonicContact OD2-NE 3.17Å; D88-R288 IonicContact OD2-NH1 2.74Å; D88-R288 PolarHBondContact OD2-NH1 3.39Å; D88-R288 IonicContact OD2-NH2 3.86Å; D88-R288 PolarHBondContact OD2-NH2 3.45Å; L89-R288 HydrophobicContact CD2-CG 3.99Å; L89-R288 HydrophobicContact CG-CG 4.37Å; D268-R288 PolarHBondContact O-N 3.3Å; D268-R288 WeakPolarHBondContact OD1-CD 3.43Å; R288-V291 HydrophobicContact CB-CG2 4.19Å; R288-V291 WeakPolarHBondContact O-CB 3.37Å; R288-V291 PolarHBondContact O-N 3.36Å; R288-A292 PolarHBondContact O-N 3.47Å
289R95.1Very high93.8Very high131 Ų13150.8 Ų50.849%0.49429%0.285SS..Hα-helixtrans-51.4-47.4-176.9-175.868.3-173-16213.5114T91 V291 A292 D293T91-R289 VanDerWaalsContact OG1-CD 3.22Å; T91-R289 WeakPolarHBondContact OG1-CD 3.48Å; R289-V291 VanDerWaalsContact C-N 3.27Å; R289-V291 PolarHBondContact O-N 3.45Å; R289-A292 PolarHBondContact O-N 3.24Å; R289-D293 WeakPolarHBondContact CG-OD2 3.34Å; R289-D293 IonicContact CZ-OD1 3.09Å; R289-D293 IonicContact CZ-OD2 3.78Å; R289-D293 IonicContact NE-OD1 4Å; R289-D293 PolarHBondContact NE-OD1 3.01Å; R289-D293 IonicContact NE-OD2 3.75Å; R289-D293 PolarHBondContact NE-OD2 3.19Å; R289-D293 IonicContact NH2-OD1 2.81Å; R289-D293 PolarHBondContact NH2-OD1 3.41Å; R289-D293 IonicContact NH2-OD2 3.79Å; R289-D293 WeakPolarHBondContact O-CB 3.31Å; R289-D293 PolarHBondContact O-N 3.43Å
290P94.5Very high93.5Very high75 Ų7556.5 Ų56.549%0.48730%0.3SS..Hα-helixtrans-62.7-30.1177.7-24.135.9000114.5
291V97Very high93.2Very high3 Ų355.8 Ų55.82%0.01830%0.298CS..Hα-helixtrans-75.4-39.5177.4178.20000110.3I108 Y112 V238 D268 M269 R288 R289I108-V291 HydrophobicContact CG2-CG1 3.8Å; Y112-V291 HydrophobicContact CD1-CG1 4.36Å; Y112-V291 HydrophobicContact CD1-CG2 4.21Å; Y112-V291 HydrophobicContact CD2-CB 4.43Å; Y112-V291 HydrophobicContact CD2-CG2 4.44Å; Y112-V291 HydrophobicContact CE1-CG2 4.01Å; Y112-V291 HydrophobicContact CE2-CG2 4.26Å; Y112-V291 HydrophobicContact CG-CB 4.47Å; Y112-V291 HydrophobicContact CG-CG1 4.14Å; Y112-V291 HydrophobicContact CG-CG2 4.42Å; V238-V291 HydrophobicContact CG1-CG2 4.49Å; D268-V291 HydrophobicContact CB-CG2 4.33Å; M269-V291 HydrophobicContact CE-CG1 4.03Å; M269-V291 HydrophobicContact CG-CG1 4.35Å; M269-V291 HydrophobicContact SD-CG1 4.29Å; R288-V291 HydrophobicContact CB-CG2 4.19Å; R288-V291 WeakPolarHBondContact O-CB 3.37Å; R288-V291 PolarHBondContact O-N 3.36Å; R289-V291 VanDerWaalsContact C-N 3.27Å; R289-V291 PolarHBondContact O-N 3.45Å
292A96.5Very high92.9Very high6 Ų655.8 Ų55.85%0.0529%0.29CS..Hα-helixtrans-70.7-36.6177.900000113.3T91 F93 A287 R288 R289 E294 F295T91-A292 HydrophobicContact CG2-CB 3.39Å; F93-A292 HydrophobicContact CE2-CB 3.81Å; F93-A292 HydrophobicContact CZ-CB 3.98Å; A287-A292 HydrophobicContact CB-CB 4.04Å; R288-A292 PolarHBondContact O-N 3.47Å; R289-A292 PolarHBondContact O-N 3.24Å; A292-E294 VanDerWaalsContact C-N 3.33Å; A292-E294 PolarHBondContact O-N 3.2Å; A292-F295 WeakPolarHBondContact O-CB 3.4Å; A292-F295 PolarHBondContact O-N 3.37Å; A292-F295 VanDerWaalsContact O-N 3.15Å
293D93.5Very high92.5Very high70 Ų7056.6 Ų56.637%0.37429%0.294SS..Hα-helixtrans-70.2-26-176.2-78.7-24.8000112.9R289 F295 H297R289-D293 WeakPolarHBondContact CG-OD2 3.34Å; R289-D293 IonicContact CZ-OD1 3.09Å; R289-D293 IonicContact CZ-OD2 3.78Å; R289-D293 IonicContact NE-OD1 4Å; R289-D293 PolarHBondContact NE-OD1 3.01Å; R289-D293 IonicContact NE-OD2 3.75Å; R289-D293 PolarHBondContact NE-OD2 3.19Å; R289-D293 IonicContact NH2-OD1 2.81Å; R289-D293 PolarHBondContact NH2-OD1 3.41Å; R289-D293 IonicContact NH2-OD2 3.79Å; R289-D293 WeakPolarHBondContact O-CB 3.31Å; R289-D293 PolarHBondContact O-N 3.43Å; D293-F295 PolarHBondContact O-N 3.02Å; D293-H297 PolarHBondContact O-CE1 3.21Å; D293-H297 PolarHBondContact O-NE2 2.91Å
294E91.7Very high92.2Very high98 Ų9860 Ų6046%0.45832%0.315SS..THydrogen-bonded Turntrans-76.8-11.6172.8-68-60.114900113.2Y112 A292 H297Y112-E294 HydrophobicContact CD2-CB 3.83Å; Y112-E294 HydrophobicContact CD2-CG 3.67Å; Y112-E294 HydrophobicContact CE2-CG 4.05Å; A292-E294 VanDerWaalsContact C-N 3.33Å; A292-E294 PolarHBondContact O-N 3.2Å; E294-H297 IonicContact OE2-CE1 3.84Å; E294-H297 IonicContact OE2-ND1 3.74Å
295F93.8Very high92Very high19 Ų1967.3 Ų67.38%0.08334%0.344CS..THydrogen-bonded Turntrans-84133.3179.7-176.5-120.3000111.5F93 L104 R107 I108 D111 A292 D293 Y301F93-F295 HydrophobicContact CD1-CD1 4.42Å; F93-F295 HydrophobicContact CD1-CE1 4.46Å; F93-F295 AromaticContact CE1-CD1 3.67Å; F93-F295 HydrophobicContact CE1-CD1 3.67Å; F93-F295 HydrophobicContact CE1-CE1 4.12Å; F93-F295 AromaticContact CZ-CD1 3.88Å; F93-F295 HydrophobicContact CZ-CD1 3.88Å; L104-F295 HydrophobicContact CD1-CE1 3.92Å; L104-F295 HydrophobicContact CD1-CZ 3.71Å; R107-F295 HydrophobicContact CG-CE2 3.86Å; R107-F295 HydrophobicContact CG-CZ 4.4Å; I108-F295 HydrophobicContact CB-CD2 4.39Å; I108-F295 HydrophobicContact CB-CG 4.47Å; I108-F295 HydrophobicContact CD1-CD1 4.35Å; I108-F295 HydrophobicContact CG1-CB 4.23Å; I108-F295 HydrophobicContact CG1-CD1 3.77Å; I108-F295 HydrophobicContact CG1-CD2 3.79Å; I108-F295 HydrophobicContact CG1-CE1 3.99Å; I108-F295 HydrophobicContact CG1-CE2 4.04Å; I108-F295 HydrophobicContact CG1-CG 3.66Å; I108-F295 HydrophobicContact CG1-CZ 4.13Å; I108-F295 HydrophobicContact CG2-CB 4.37Å; D111-F295 HydrophobicContact CB-CD2 4.12Å; D111-F295 WeakPolarHBondContact OD2-CD2 3.2Å; D111-F295 VanDerWaalsContact OD2-CE2 3.25Å; D111-F295 WeakPolarHBondContact OD2-CE2 3.3Å; A292-F295 WeakPolarHBondContact O-CB 3.4Å; A292-F295 PolarHBondContact O-N 3.37Å; A292-F295 VanDerWaalsContact O-N 3.15Å; D293-F295 PolarHBondContact O-N 3.02Å; F295-Y301 HydrophobicContact CE1-CG 4.18Å
296G82.8Confident91.7Very high33 Ų3367.3 Ų67.334%0.3434%0.344SS..THydrogen-bonded Turntrans92.27.4173.100000116G298 M299G296-G298 PolarHBondContact O-N 3.07Å; G296-M299 WeakPolarHBondContact CA-O 3.18Å
297H78.7Confident91.4Very high150 Ų15067.3 Ų67.369%0.69434%0.344SS*.SBendtrans-65.1-14173.1-70.9164.2000114.5D293 E294D293-H297 PolarHBondContact O-CE1 3.21Å; D293-H297 PolarHBondContact O-NE2 2.91Å; E294-H297 IonicContact OE2-CE1 3.84Å; E294-H297 IonicContact OE2-ND1 3.74Å
298G78.9Confident91.3Very high81 Ų8168.2 Ų68.284%0.83535%0.349SS*.SBendtrans-126-54.5175.700000113.6G296G296-G298 PolarHBondContact O-N 3.07Å
299M86.4Confident91.3Very high128 Ų12864.6 Ų64.663%0.63134%0.335SS*.SBendtrans-110.7118.8-179.8-174.8-173-63.900109.9R107 G296R107-M299 VanDerWaalsContact NH2-CG 3.27Å; R107-M299 PolarHBondContact NH2-O 2.96Å; R107-M299 PolarHBondContact NH2-SD 3.15Å; R107-M299 VanDerWaalsContact NH2-SD 3.44Å; G296-M299 WeakPolarHBondContact CA-O 3.18Å
300E90Very high91.4Very high159 Ų15958.5 Ų58.574%0.74331%0.312SS*.  trans-59.2159.417665.5-165.6-148.600112.8R107R107-E300 PolarHBondContact NH2-O 3.1Å
301Y92.2Very high91.5Very high65 Ų6555 Ų5526%0.25529%0.29SS..  trans-115.9123.3167.3175.3-102.1000109.9F93 Y94 C95 L104 F295 N303F93-Y301 HydrophobicContact CB-CE1 4.49Å; F93-Y301 HydrophobicContact CD1-CD1 4.2Å; Y94-Y301 PolarHBondContact O-OH 3.47Å; C95-Y301 PolarHBondContact SG-OH 2.94Å; L104-Y301 HydrophobicContact CD1-CD2 3.58Å; L104-Y301 HydrophobicContact CD1-CE2 3.67Å; L104-Y301 HydrophobicContact CD1-CG 4.21Å; L104-Y301 HydrophobicContact CD2-CD1 4.43Å; L104-Y301 HydrophobicContact CD2-CD2 4.19Å; L104-Y301 HydrophobicContact CD2-CE1 3.92Å; L104-Y301 HydrophobicContact CD2-CE2 3.64Å; L104-Y301 VanDerWaalsContact CD2-CZ 3.49Å; L104-Y301 HydrophobicContact CG-CE2 4.23Å; F295-Y301 HydrophobicContact CE1-CG 4.18Å; Y301-N303 HydrophobicContact CE1-CB 4.39Å; Y301-N303 WeakPolarHBondContact OH-CB 3.47Å; Y301-N303 PolarHBondContact OH-ND2 2.86Å
302F91.1Very high91.6Very high72 Ų7254.9 Ų54.932%0.31629%0.289SS..  trans-138141.7173.5167.8-107.5000109.1N67 R68N67-F302 WeakPolarHBondContact OD1-CD2 3.14Å; N67-F302 WeakPolarHBondContact OD1-CE2 3.3Å; R68-F302 HydrophobicContact CG-CD2 3.71Å; R68-F302 HydrophobicContact CG-CE2 3.61Å
303N90.3Very high91.7Very high21 Ų2155 Ų5511%0.11229%0.291CS..  trans-136.6117.9174.1-172.7-35.7000108.4N67 N96 E100 Y301 Y305 G306N67-N303 PolarHBondContact ND2-O 2.91Å; N67-N303 PolarHBondContact OD1-O 2.86Å; N96-N303 PolarHBondContact ND2-ND2 3.41Å; N96-N303 PolarHBondContact ND2-OD1 3.16Å; E100-N303 PolarHBondContact OE2-ND2 2.83Å; E100-N303 VanDerWaalsContact OE2-ND2 3.1Å; Y301-N303 HydrophobicContact CE1-CB 4.39Å; Y301-N303 WeakPolarHBondContact OH-CB 3.47Å; Y301-N303 PolarHBondContact OH-ND2 2.86Å; N303-Y305 PolarHBondContact O-N 2.97Å; N303-Y305 VanDerWaalsContact O-N 3.13Å; N303-Y305 PolarHBondContact OD1-N 3.47Å; N303-Y305 VanDerWaalsContact OD1-N 3.1Å; N303-G306 VanDerWaalsContact CG-N 3.33Å; N303-G306 PolarHBondContact O-N 3.39Å; N303-G306 PolarHBondContact OD1-N 3.13Å
304T92.1Very high91.9Very high71 Ų7151.7 Ų51.744%0.43627%0.273SS..SBendtrans-52-38.6-177.4-57.80000113N66N66-T304 WeakPolarHBondContact CB-O 3.36Å
305Y93.3Very high92.3Very high154 Ų15447 Ų4760%0.60425%0.251SS*.SBendtrans-110.5-19.8-175.8-60.4-67.7000112.8N96 N303 G307 N308N96-Y305 WeakPolarHBondContact OD1-CB 3.33Å; N303-Y305 PolarHBondContact O-N 2.97Å; N303-Y305 VanDerWaalsContact O-N 3.13Å; N303-Y305 PolarHBondContact OD1-N 3.47Å; N303-Y305 VanDerWaalsContact OD1-N 3.1Å; Y305-G307 PolarHBondContact O-N 2.91Å; Y305-G307 VanDerWaalsContact O-N 3.08Å; Y305-N308 WeakPolarHBondContact O-CB 3.48Å; Y305-N308 PolarHBondContact O-N 3.31Å; Y305-N308 VanDerWaalsContact O-N 3.1Å; Y305-N308 PolarHBondContact O-ND2 3.05Å
306G93.2Very high92.5Very high0 Ų047.6 Ų47.60%025%0.254CS..THydrogen-bonded Turntrans-60.2111.9-176.300000112.1N67 Y94 N96 N303N67-G306 VanDerWaalsContact CB-O 3.26Å; N67-G306 WeakPolarHBondContact CB-O 3.25Å; N67-G306 PolarHBondContact ND2-O 3.1Å; Y94-G306 WeakPolarHBondContact O-CA 3.34Å; N96-G306 PolarHBondContact OD1-N 2.99Å; N303-G306 VanDerWaalsContact CG-N 3.33Å; N303-G306 PolarHBondContact O-N 3.39Å; N303-G306 PolarHBondContact OD1-N 3.13Å
307G92.5Very high93.3Very high0 Ų046.4 Ų46.40%024%0.241CC..THydrogen-bonded Turntrans76.621.8178.300000114.2M74 Y94 Y305 C312M74-G307 WeakPolarHBondContact CG-O 3.26Å; Y94-G307 VanDerWaalsContact CB-CA 3.42Å; Y94-G307 VanDerWaalsContact CB-N 3.27Å; Y305-G307 PolarHBondContact O-N 2.91Å; Y305-G307 VanDerWaalsContact O-N 3.08Å; G307-C312 PolarHBondContact O-SG 3.14Å
308N96Very high94.2Very high19 Ų1939.2 Ų39.210%0.10221%0.208CC..  trans-59.5155.817175.278.5000111.3C65 Y305 V310 S311 C312C65-N308 WeakPolarHBondContact O-CB 3.46Å; Y305-N308 WeakPolarHBondContact O-CB 3.48Å; Y305-N308 PolarHBondContact O-N 3.31Å; Y305-N308 VanDerWaalsContact O-N 3.1Å; Y305-N308 PolarHBondContact O-ND2 3.05Å; N308-V310 VanDerWaalsContact C-N 3.27Å; N308-V310 PolarHBondContact O-N 2.94Å; N308-V310 VanDerWaalsContact O-N 3.15Å; N308-V310 WeakPolarHBondContact OD1-CA 3.33Å; N308-V310 WeakPolarHBondContact OD1-CB 3.4Å; N308-V310 PolarHBondContact OD1-N 2.96Å; N308-S311 WeakPolarHBondContact ND2-CB 3.41Å; N308-S311 PolarHBondContact ND2-OG 2.97Å; N308-S311 PolarHBondContact O-N 2.88Å; N308-S311 VanDerWaalsContact O-N 3.16Å; N308-S311 PolarHBondContact OD1-N 2.84Å; N308-C312 PolarHBondContact O-N 3.22Å
309P96.9Very high95.2Very high1 Ų135.6 Ų35.61%0.00617%0.17CC..Hα-helixtrans-54.6-37.2-176.5-29.136.1000114.8Q59 C65 H71 L73 C312 A313Q59-P309 HydrophobicContact CG-CB 3.99Å; C65-P309 VanDerWaalsContact O-CD 3.31Å; C65-P309 WeakPolarHBondContact O-CD 3.33Å; C65-P309 VanDerWaalsContact SG-CG 3.54Å; H71-P309 HydrophobicContact CB-CG 3.78Å; L73-P309 WeakPolarHBondContact CD1-O 3.22Å; P309-C312 PolarHBondContact O-N 3.27Å; P309-A313 WeakPolarHBondContact O-CB 3.35Å; P309-A313 PolarHBondContact O-N 3.17Å
310V97.8Very high95.7Very high3 Ų332.6 Ų32.62%0.01816%0.156CC..Hα-helixtrans-69.4-44.7-178.8-173.70000110.7I56 Q59 T64 Y280 N308 C312 A313 A314I56-V310 HydrophobicContact CB-CG1 4.38Å; I56-V310 HydrophobicContact CG2-CG1 3.79Å; Q59-V310 HydrophobicContact CB-CG2 4.48Å; Q59-V310 HydrophobicContact CG-CB 4.42Å; Q59-V310 HydrophobicContact CG-CG2 4.01Å; T64-V310 HydrophobicContact CG2-CG2 4.04Å; Y280-V310 HydrophobicContact CE1-CG1 4.03Å; Y280-V310 HydrophobicContact CE2-CG1 4.48Å; Y280-V310 VanDerWaalsContact OH-CG1 3.31Å; Y280-V310 WeakPolarHBondContact OH-CG1 3.49Å; N308-V310 VanDerWaalsContact C-N 3.27Å; N308-V310 PolarHBondContact O-N 2.94Å; N308-V310 VanDerWaalsContact O-N 3.15Å; N308-V310 WeakPolarHBondContact OD1-CA 3.33Å; N308-V310 WeakPolarHBondContact OD1-CB 3.4Å; N308-V310 PolarHBondContact OD1-N 2.96Å; V310-C312 VanDerWaalsContact C-N 3.34Å; V310-C312 PolarHBondContact O-N 3.33Å; V310-A313 WeakPolarHBondContact O-CB 3.42Å; V310-A313 PolarHBondContact O-N 3.04Å; V310-A314 PolarHBondContact O-N 2.69Å
311S97.7Very high96.2Very high2 Ų225 Ų251%0.01412%0.121CC..Hα-helixtrans-61.7-41.3173.8-71.40000111.9Y280 P281 N308 A314 A315Y280-S311 WeakPolarHBondContact CE1-OG 3.18Å; P281-S311 PolarHBondContact O-OG 3.4Å; N308-S311 WeakPolarHBondContact ND2-CB 3.41Å; N308-S311 PolarHBondContact ND2-OG 2.97Å; N308-S311 PolarHBondContact O-N 2.88Å; N308-S311 VanDerWaalsContact O-N 3.16Å; N308-S311 PolarHBondContact OD1-N 2.84Å; S311-A314 PolarHBondContact O-N 3.31Å; S311-A315 WeakPolarHBondContact O-CB 3.38Å; S311-A315 PolarHBondContact O-N 3.42Å
312C97.9Very high96.5Very high1 Ų122.4 Ų22.41%0.00711%0.111CC..Hα-helixtrans-66.2-37.1174.5-67.90000112.5L73 G307 N308 P309 V310 A315 L316L73-C312 HydrophobicContact CB-CB 3.83Å; G307-C312 PolarHBondContact O-SG 3.14Å; N308-C312 PolarHBondContact O-N 3.22Å; P309-C312 PolarHBondContact O-N 3.27Å; V310-C312 VanDerWaalsContact C-N 3.34Å; V310-C312 PolarHBondContact O-N 3.33Å; C312-A315 PolarHBondContact O-N 3.24Å; C312-L316 VanDerWaalsContact O-CB 3.28Å; C312-L316 WeakPolarHBondContact O-CB 3.33Å; C312-L316 PolarHBondContact O-N 3.09Å
313A98.4Very high96.8Very high9 Ų924.2 Ų24.27%0.07412%0.121CC..Hα-helixtrans-63.8-44.5174.300000111.6Q59 L73 P309 V310 L316 A317Q59-A313 HydrophobicContact CB-CB 3.71Å; Q59-A313 HydrophobicContact CG-CB 3.96Å; L73-A313 HydrophobicContact CD1-CB 3.87Å; P309-A313 WeakPolarHBondContact O-CB 3.35Å; P309-A313 PolarHBondContact O-N 3.17Å; V310-A313 WeakPolarHBondContact O-CB 3.42Å; V310-A313 PolarHBondContact O-N 3.04Å; A313-L316 PolarHBondContact O-N 3.48Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.5Å
314A98.6Very high97.2Very high0 Ų028.7 Ų28.70%015%0.145CC..Hα-helixtrans-58-49.5174.300000110.8V52 I56 Y280 V310 S311 L316 A317 V318V52-A314 HydrophobicContact CG1-CB 4.43Å; I56-A314 HydrophobicContact CD1-CB 3.9Å; I56-A314 HydrophobicContact CG1-CB 3.67Å; Y280-A314 HydrophobicContact CD1-CB 4.02Å; Y280-A314 HydrophobicContact CG-CB 4.13Å; V310-A314 PolarHBondContact O-N 2.69Å; S311-A314 PolarHBondContact O-N 3.31Å; A314-L316 PolarHBondContact O-N 3.4Å; A314-A317 WeakPolarHBondContact O-CB 3.11Å; A314-A317 PolarHBondContact O-N 2.83Å; A314-V318 WeakPolarHBondContact O-CG2 3.24Å; A314-V318 PolarHBondContact O-N 2.9Å
315A98.7Very high97.5Very high0 Ų029.5 Ų29.50%014%0.144CC..Hα-helixtrans-66.5-38.9-177.700000113.1Y77 M276 V282 S311 C312 V318 L319Y77-A315 HydrophobicContact CD2-CB 3.74Å; Y77-A315 HydrophobicContact CE1-CB 4.36Å; Y77-A315 VanDerWaalsContact CE2-C 3.49Å; Y77-A315 HydrophobicContact CE2-CB 3.3Å; Y77-A315 HydrophobicContact CG-CB 4.4Å; M276-A315 HydrophobicContact CE-CB 4.48Å; M276-A315 HydrophobicContact CG-CB 4.06Å; M276-A315 WeakPolarHBondContact O-CA 3.18Å; M276-A315 WeakPolarHBondContact O-CB 3.32Å; V282-A315 HydrophobicContact CG1-CB 4.29Å; V282-A315 HydrophobicContact CG2-CB 4.47Å; S311-A315 WeakPolarHBondContact O-CB 3.38Å; S311-A315 PolarHBondContact O-N 3.42Å; C312-A315 PolarHBondContact O-N 3.24Å; A315-V318 WeakPolarHBondContact O-CB 3.2Å; A315-V318 PolarHBondContact O-N 3.22Å; A315-L319 PolarHBondContact O-N 3.23Å; A315-L319 VanDerWaalsContact O-N 3.15Å
316L98.7Very high97.8Very high30 Ų3028.5 Ų28.516%0.15714%0.144CC..Hα-helixtrans-65-40.4174.1-176.661.4000111.7L73 I76 Y77 R80 C312 A313 A314 V318 L319 N320L73-L316 HydrophobicContact CD2-CD2 4.08Å; I76-L316 HydrophobicContact CG2-CD1 4.39Å; I76-L316 HydrophobicContact CG2-CD2 3.84Å; Y77-L316 HydrophobicContact CD2-CB 4.22Å; R80-L316 HydrophobicContact CB-CD1 4.22Å; R80-L316 HydrophobicContact CG-CD1 4.11Å; C312-L316 VanDerWaalsContact O-CB 3.28Å; C312-L316 WeakPolarHBondContact O-CB 3.33Å; C312-L316 PolarHBondContact O-N 3.09Å; A313-L316 PolarHBondContact O-N 3.48Å; A314-L316 PolarHBondContact O-N 3.4Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 2.97Å; L316-L319 PolarHBondContact O-N 2.88Å; L316-N320 VanDerWaalsContact O-CG 3.31Å; L316-N320 PolarHBondContact O-N 3.3Å; L316-N320 PolarHBondContact O-ND2 3.06Å
317A98.8Very high98Very high8 Ų828.8 Ų28.87%0.06615%0.146CC..Hα-helixtrans-62.2-37.8175.500000111.8V52 A55 A313 A314 N320 V321V52-A317 HydrophobicContact CB-CB 4.48Å; V52-A317 HydrophobicContact CG2-CB 4.19Å; A55-A317 HydrophobicContact CB-CB 3.6Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.5Å; A314-A317 WeakPolarHBondContact O-CB 3.11Å; A314-A317 PolarHBondContact O-N 2.83Å; A317-N320 PolarHBondContact O-N 2.96Å; A317-V321 VanDerWaalsContact O-CG2 3.26Å; A317-V321 WeakPolarHBondContact O-CG2 3.4Å; A317-V321 PolarHBondContact O-N 3.41Å
318V98.8Very high98.3Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-59.7-46.8172.9169.80000111.5V45 V52 N278 A314 A315 L316 N320 V321 L322V45-V318 HydrophobicContact CG1-CG1 4.01Å; V45-V318 HydrophobicContact CG2-CG2 4.41Å; V52-V318 HydrophobicContact CG1-CG2 4.46Å; V52-V318 HydrophobicContact CG2-CG2 3.98Å; N278-V318 HydrophobicContact CB-CG2 3.62Å; A314-V318 WeakPolarHBondContact O-CG2 3.24Å; A314-V318 PolarHBondContact O-N 2.9Å; A315-V318 WeakPolarHBondContact O-CB 3.2Å; A315-V318 PolarHBondContact O-N 3.22Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 2.97Å; V318-N320 VanDerWaalsContact C-N 3.31Å; V318-N320 PolarHBondContact O-N 2.86Å; V318-V321 PolarHBondContact O-N 3.01Å; V318-L322 HydrophobicContact CG1-CD1 3.95Å; V318-L322 HydrophobicContact CG1-CG 4.37Å; V318-L322 WeakPolarHBondContact O-CG 3.24Å; V318-L322 PolarHBondContact O-N 3.27Å
319L98.8Very high98.5Very high4 Ų434.1 Ų34.12%0.02117%0.17CC..Hα-helixtrans-60.6-41.3177-67.2-178.5000112.1Y77 R80 L81 F248 F255 A315 L316 L322 E323Y77-L319 HydrophobicContact CD2-CD1 3.94Å; Y77-L319 HydrophobicContact CE2-CD1 3.53Å; Y77-L319 HydrophobicContact CE2-CG 4.05Å; R80-L319 HydrophobicContact CB-CD1 4.2Å; R80-L319 HydrophobicContact CG-CB 4.44Å; R80-L319 HydrophobicContact CG-CD1 3.66Å; L81-L319 HydrophobicContact CB-CD1 4.25Å; L81-L319 HydrophobicContact CD1-CD1 4.37Å; L81-L319 HydrophobicContact CD1-CD2 4.24Å; F248-L319 HydrophobicContact CD1-CD2 3.94Å; F248-L319 HydrophobicContact CE1-CD2 3.82Å; F255-L319 HydrophobicContact CZ-CD2 3.87Å; A315-L319 PolarHBondContact O-N 3.23Å; A315-L319 VanDerWaalsContact O-N 3.15Å; L316-L319 PolarHBondContact O-N 2.88Å; L319-L322 HydrophobicContact CD2-CD1 4.32Å; L319-L322 PolarHBondContact O-N 3.14Å; L319-E323 PolarHBondContact O-N 3.17Å; L319-E323 VanDerWaalsContact O-N 3.16Å
320N98.7Very high98.6Very high65 Ų6536.3 Ų36.335%0.34818%0.182SC..Hα-helixtrans-64.1-41.5176.8-65.9-19.5000111.9L316 A317 V318 E323 N324L316-N320 VanDerWaalsContact O-CG 3.31Å; L316-N320 PolarHBondContact O-N 3.3Å; L316-N320 PolarHBondContact O-ND2 3.06Å; A317-N320 PolarHBondContact O-N 2.96Å; V318-N320 VanDerWaalsContact C-N 3.31Å; V318-N320 PolarHBondContact O-N 2.86Å; N320-E323 PolarHBondContact O-N 3.34Å; N320-N324 VanDerWaalsContact O-CB 3.22Å; N320-N324 WeakPolarHBondContact O-CB 3.4Å; N320-N324 PolarHBondContact O-N 2.95Å; N320-N324 PolarHBondContact O-ND2 3.29Å
321V98.8Very high98.6Very high1 Ų136.1 Ų36.11%0.00618%0.181CC..Hα-helixtrans-66.4-44.3177.7173.20000111V45 H49 L51 V52 A317 V318 E323 N324 E325 L327V45-V321 HydrophobicContact CB-CB 4.38Å; V45-V321 HydrophobicContact CB-CG1 3.68Å; V45-V321 HydrophobicContact CG1-CB 4.32Å; V45-V321 HydrophobicContact CG1-CG1 3.97Å; V45-V321 HydrophobicContact CG2-CB 4.45Å; V45-V321 HydrophobicContact CG2-CG1 4.06Å; H49-V321 VanDerWaalsContact CE1-CG2 3.43Å; H49-V321 WeakPolarHBondContact CE1-CG2 3.47Å; L51-V321 HydrophobicContact CB-CG2 3.99Å; L51-V321 HydrophobicContact CD1-CG2 4.05Å; V52-V321 HydrophobicContact CG2-CG2 4.5Å; A317-V321 VanDerWaalsContact O-CG2 3.26Å; A317-V321 WeakPolarHBondContact O-CG2 3.4Å; A317-V321 PolarHBondContact O-N 3.41Å; V318-V321 PolarHBondContact O-N 3.01Å; V321-E323 VanDerWaalsContact C-N 3.26Å; V321-E323 PolarHBondContact O-N 3.08Å; V321-N324 PolarHBondContact O-N 3.19Å; V321-E325 HydrophobicContact CG1-CG 4.32Å; V321-E325 WeakPolarHBondContact O-CB 3.35Å; V321-E325 PolarHBondContact O-N 3.03Å; V321-L327 HydrophobicContact CG1-CD1 3.86Å
322L98.7Very high98.7Very high10 Ų1040.8 Ų40.85%0.05220%0.201CC..Hα-helixtrans-54.6-43.2176.5-75.9167.9000112.2V45 F248 F255 V318 L319 Q326 L327V45-L322 HydrophobicContact CG1-CD2 3.86Å; V45-L322 HydrophobicContact CG1-CG 3.84Å; F248-L322 HydrophobicContact CB-CD1 3.94Å; F248-L322 HydrophobicContact CD1-CD1 3.84Å; F248-L322 HydrophobicContact CG-CD1 4.4Å; F255-L322 HydrophobicContact CE2-CD1 4.41Å; F255-L322 HydrophobicContact CZ-CD1 4.48Å; V318-L322 HydrophobicContact CG1-CD1 3.95Å; V318-L322 HydrophobicContact CG1-CG 4.37Å; V318-L322 WeakPolarHBondContact O-CG 3.24Å; V318-L322 PolarHBondContact O-N 3.27Å; L319-L322 HydrophobicContact CD2-CD1 4.32Å; L319-L322 PolarHBondContact O-N 3.14Å; L322-Q326 PolarHBondContact O-N 3.49Å; L322-L327 HydrophobicContact CD2-CB 3.92Å; L322-L327 HydrophobicContact CD2-CD1 4.19Å; L322-L327 PolarHBondContact O-N 2.8Å
323E98.5Very high98.7Very high110 Ų11044.2 Ų44.251%0.51422%0.219SC..Hα-helixtrans-72.7-55.9178.3179.5171-140.600112.1R80 L319 N320 V321 E325 Q326R80-E323 IonicContact CZ-OE2 2.69Å; R80-E323 IonicContact NE-OE2 3.98Å; R80-E323 IonicContact NH2-OE1 3.24Å; R80-E323 PolarHBondContact NH2-OE1 2.8Å; R80-E323 IonicContact NH2-OE2 3.93Å; R80-E323 PolarHBondContact NH2-OE2 2.93Å; L319-E323 PolarHBondContact O-N 3.17Å; L319-E323 VanDerWaalsContact O-N 3.16Å; N320-E323 PolarHBondContact O-N 3.34Å; V321-E323 VanDerWaalsContact C-N 3.26Å; V321-E323 PolarHBondContact O-N 3.08Å; E323-E325 VanDerWaalsContact C-N 3.34Å; E323-E325 PolarHBondContact O-N 3.4Å; E323-Q326 PolarHBondContact O-N 3.16Å; E323-Q326 VanDerWaalsContact O-N 3.12Å
324N98.6Very high98.7Very high114 Ų11444 Ų4461%0.6122%0.217SC*.Hα-helixtrans-65.5-36.2-172.4-68.4-21.1000112.9N320 V321N320-N324 VanDerWaalsContact O-CB 3.22Å; N320-N324 WeakPolarHBondContact O-CB 3.4Å; N320-N324 PolarHBondContact O-N 2.95Å; N320-N324 PolarHBondContact O-ND2 3.29Å; V321-N324 PolarHBondContact O-N 3.19Å
325E98.6Very high98.7Very high89 Ų8944.1 Ų44.142%0.41622%0.218SC..THydrogen-bonded Turntrans-94.54.9178.6-61.1-174.8-164.700112.7H49 V321 E323 L327H49-E325 IonicContact CE1-OE1 3.38Å; H49-E325 PolarHBondContact CE1-OE1 3.02Å; H49-E325 IonicContact NE2-OE1 2.78Å; H49-E325 PolarHBondContact NE2-OE1 3.18Å; H49-E325 IonicContact NE2-OE2 3Å; V321-E325 HydrophobicContact CG1-CG 4.32Å; V321-E325 WeakPolarHBondContact O-CB 3.35Å; V321-E325 PolarHBondContact O-N 3.03Å; E323-E325 VanDerWaalsContact C-N 3.34Å; E323-E325 PolarHBondContact O-N 3.4Å; E325-L327 HydrophobicContact CB-CD1 4.47Å; E325-L327 HydrophobicContact CB-CD2 3.93Å; E325-L327 HydrophobicContact CB-CG 3.85Å; E325-L327 PolarHBondContact O-N 3.39Å
326Q98.5Very high98.7Very high132 Ų13246.1 Ų46.162%0.61724%0.235SC*.THydrogen-bonded Turntrans51.540.2177.6-55.2179.917.700112.7L322 E323 Q328 E329 N330L322-Q326 PolarHBondContact O-N 3.49Å; E323-Q326 PolarHBondContact O-N 3.16Å; E323-Q326 VanDerWaalsContact O-N 3.12Å; Q326-Q328 VanDerWaalsContact C-N 3.29Å; Q326-Q328 PolarHBondContact O-N 2.89Å; Q326-E329 HydrophobicContact CB-CB 4.34Å; Q326-E329 PolarHBondContact O-N 3.24Å; Q326-E329 VanDerWaalsContact O-N 3.08Å; Q326-N330 PolarHBondContact O-N 3.47Å
327L98.7Very high98.7Very high6 Ų646.9 Ų46.93%0.03124%0.236CC..Hα-helixtrans-67.8-29.2-169.2-68.2-178.6000113.1V45 V321 L322 E325 N330 A331 M411 C412V45-L327 HydrophobicContact CB-CD1 3.74Å; V45-L327 HydrophobicContact CG1-CD1 3.63Å; V321-L327 HydrophobicContact CG1-CD1 3.86Å; L322-L327 HydrophobicContact CD2-CB 3.92Å; L322-L327 HydrophobicContact CD2-CD1 4.19Å; L322-L327 PolarHBondContact O-N 2.8Å; E325-L327 HydrophobicContact CB-CD1 4.47Å; E325-L327 HydrophobicContact CB-CD2 3.93Å; E325-L327 HydrophobicContact CB-CG 3.85Å; E325-L327 PolarHBondContact O-N 3.39Å; L327-N330 PolarHBondContact O-N 3.2Å; L327-A331 PolarHBondContact O-N 2.93Å; L327-M411 HydrophobicContact CB-CB 3.97Å; L327-M411 HydrophobicContact CD1-CB 4.3Å; L327-M411 WeakPolarHBondContact O-CE 3.31Å; L327-C412 HydrophobicContact CD2-CB 4.32Å
328Q98.7Very high98.7Very high57 Ų5746.8 Ų46.827%0.26623%0.234SC..Hα-helixtrans-64.7-44.9171.6177.6176.1-4.600111.3G252 V254 Q326 N330 A331 K332G252-Q328 WeakPolarHBondContact CA-O 3.35Å; G252-Q328 WeakPolarHBondContact O-CG 3.49Å; G252-Q328 PolarHBondContact O-NE2 3.24Å; V254-Q328 VanDerWaalsContact C-NE2 3.25Å; V254-Q328 PolarHBondContact O-NE2 2.96Å; Q326-Q328 VanDerWaalsContact C-N 3.29Å; Q326-Q328 PolarHBondContact O-N 2.89Å; Q328-N330 VanDerWaalsContact C-N 3.31Å; Q328-N330 PolarHBondContact O-N 3.21Å; Q328-A331 PolarHBondContact O-N 2.74Å; Q328-A331 VanDerWaalsContact O-N 3.15Å; Q328-K332 PolarHBondContact O-N 2.97Å
329E98.8Very high98.6Very high75 Ų7549 Ų4935%0.3525%0.246SC..Hα-helixtrans-66.2-36.4175.8-175.257.8-148.700110.8Q326 A331 K332 N333Q326-E329 HydrophobicContact CB-CB 4.34Å; Q326-E329 PolarHBondContact O-N 3.24Å; Q326-E329 VanDerWaalsContact O-N 3.08Å; E329-A331 PolarHBondContact O-N 3.43Å; E329-K332 WeakPolarHBondContact O-CB 3.03Å; E329-K332 PolarHBondContact O-N 2.78Å; E329-K332 IonicContact OE2-NZ 3.11Å; E329-N333 WeakPolarHBondContact CG-ND2 3.41Å; E329-N333 WeakPolarHBondContact O-CB 3.4Å; E329-N333 PolarHBondContact O-N 2.97Å; E329-N333 PolarHBondContact O-ND2 3.37Å; E329-N333 PolarHBondContact OE1-ND2 3.21Å
330N98.8Very high98.6Very high46 Ų4655.2 Ų55.225%0.24627%0.269CS..Hα-helixtrans-59.9-44.9170.2-174.466000111.5Q326 L327 Q328 K332 N333 V334 M411 F413Q326-N330 PolarHBondContact O-N 3.47Å; L327-N330 PolarHBondContact O-N 3.2Å; Q328-N330 VanDerWaalsContact C-N 3.31Å; Q328-N330 PolarHBondContact O-N 3.21Å; N330-K332 VanDerWaalsContact C-N 3.32Å; N330-K332 PolarHBondContact O-N 3.37Å; N330-N333 PolarHBondContact O-N 3.46Å; N330-V334 VanDerWaalsContact O-CB 3.31Å; N330-V334 WeakPolarHBondContact O-CB 3.29Å; N330-V334 WeakPolarHBondContact O-CG2 3.4Å; N330-V334 PolarHBondContact O-N 2.7Å; N330-V334 VanDerWaalsContact OD1-CG2 3.25Å; N330-V334 WeakPolarHBondContact OD1-CG2 3.47Å; N330-M411 PolarHBondContact ND2-O 2.91Å; N330-F413 PolarHBondContact ND2-O 3.28Å
331A98.7Very high98.5Very high0 Ų054.2 Ų54.20%026%0.26CS..Hα-helixtrans-63.6-36.7178.200000112.9L327 Q328 E329 G335 G360 L361 M411L327-A331 PolarHBondContact O-N 2.93Å; Q328-A331 PolarHBondContact O-N 2.74Å; Q328-A331 VanDerWaalsContact O-N 3.15Å; E329-A331 PolarHBondContact O-N 3.43Å; A331-G335 WeakPolarHBondContact O-CA 3.3Å; A331-G335 PolarHBondContact O-N 2.83Å; A331-G360 CarbonylContact O-C 3.53Å; A331-G360 WeakPolarHBondContact O-CA 3.44Å; A331-L361 HydrophobicContact CB-CB 4.4Å; A331-L361 HydrophobicContact CB-CD1 3.84Å; A331-L361 HydrophobicContact CB-CG 3.91Å; A331-M411 HydrophobicContact CB-CE 3.35Å; A331-M411 HydrophobicContact CB-SD 3.74Å
332K98.8Very high98.4Very high99 Ų9954.3 Ų54.343%0.4326%0.261SS..Hα-helixtrans-61.4-51.3171.4-177.4-176.3173.2-169.60111.4Q328 E329 N330 A336Q328-K332 PolarHBondContact O-N 2.97Å; E329-K332 WeakPolarHBondContact O-CB 3.03Å; E329-K332 PolarHBondContact O-N 2.78Å; E329-K332 IonicContact OE2-NZ 3.11Å; N330-K332 VanDerWaalsContact C-N 3.32Å; N330-K332 PolarHBondContact O-N 3.37Å; K332-A336 VanDerWaalsContact O-CB 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.33Å; K332-A336 PolarHBondContact O-N 3.08Å
333N98.8Very high98.3Very high74 Ų7457.5 Ų57.540%0.39628%0.275SS..Hα-helixtrans-71.7-45-174.3-74-44.2000113.6E329 N330 Y337E329-N333 WeakPolarHBondContact CG-ND2 3.41Å; E329-N333 WeakPolarHBondContact O-CB 3.4Å; E329-N333 PolarHBondContact O-N 2.97Å; E329-N333 PolarHBondContact O-ND2 3.37Å; E329-N333 PolarHBondContact OE1-ND2 3.21Å; N330-N333 PolarHBondContact O-N 3.46Å; N333-Y337 PolarHBondContact O-N 2.9Å
334V98.7Very high98.2Very high4 Ų456.9 Ų56.92%0.02427%0.268CS..Hα-helixtrans-75.5-35.6177.9-179.40000110.4N330 Y337 L338 L361 F413 K415 V418N330-V334 VanDerWaalsContact O-CB 3.31Å; N330-V334 WeakPolarHBondContact O-CB 3.29Å; N330-V334 WeakPolarHBondContact O-CG2 3.4Å; N330-V334 PolarHBondContact O-N 2.7Å; N330-V334 VanDerWaalsContact OD1-CG2 3.25Å; N330-V334 WeakPolarHBondContact OD1-CG2 3.47Å; V334-Y337 CarbonylContact O-C 3.53Å; V334-Y337 WeakPolarHBondContact O-CB 3.08Å; V334-Y337 PolarHBondContact O-N 3.4Å; V334-L338 WeakPolarHBondContact O-CB 3.5Å; V334-L338 PolarHBondContact O-N 2.9Å; V334-L361 HydrophobicContact CB-CD2 4.25Å; V334-L361 HydrophobicContact CG1-CD2 3.94Å; V334-F413 HydrophobicContact CG1-CD1 4.39Å; V334-K415 HydrophobicContact CG2-CG 4.28Å; V334-V418 HydrophobicContact CG1-CG2 3.83Å
335G98.4Very high98Very high2 Ų251.9 Ų51.92%0.02124%0.242CC..Hα-helixtrans-61.7-45.2172.900000113.2A331 Y337 L338 L339 G360A331-G335 WeakPolarHBondContact O-CA 3.3Å; A331-G335 PolarHBondContact O-N 2.83Å; G335-Y337 VanDerWaalsContact C-N 3.27Å; G335-Y337 PolarHBondContact O-N 2.86Å; G335-L338 WeakPolarHBondContact O-CB 3.3Å; G335-L338 PolarHBondContact O-N 2.74Å; G335-L339 PolarHBondContact O-N 2.79Å; G335-G360 WeakPolarHBondContact CA-O 3.4Å
336A98.6Very high97.8Very high43 Ų4349.6 Ų49.636%0.35523%0.231SC..Hα-helixtrans-61.8-36.2173.300000112.2K332 R340K332-A336 VanDerWaalsContact O-CB 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.33Å; K332-A336 PolarHBondContact O-N 3.08Å; A336-R340 WeakPolarHBondContact O-CG 3.37Å; A336-R340 PolarHBondContact O-N 3.14Å; A336-R340 PolarHBondContact O-NH1 3.36Å; A336-R340 VanDerWaalsContact O-NH1 3.13Å
337Y98.7Very high97.6Very high46 Ų4645.2 Ų45.218%0.1822%0.221CC..Hα-helixtrans-67.1-46.4173-175.9-111.5000111.7N333 V334 G335 L339 R340 R341 K415 V418 D419N333-Y337 PolarHBondContact O-N 2.9Å; V334-Y337 CarbonylContact O-C 3.53Å; V334-Y337 WeakPolarHBondContact O-CB 3.08Å; V334-Y337 PolarHBondContact O-N 3.4Å; G335-Y337 VanDerWaalsContact C-N 3.27Å; G335-Y337 PolarHBondContact O-N 2.86Å; Y337-L339 PolarHBondContact O-N 3.17Å; Y337-R340 PolarHBondContact O-N 2.93Å; Y337-R341 HydrophobicContact CD1-CG 4.02Å; Y337-R341 HydrophobicContact CD2-CG 4.25Å; Y337-R341 HydrophobicContact CE1-CG 3.7Å; Y337-R341 HydrophobicContact CE2-CG 3.94Å; Y337-R341 HydrophobicContact CG-CG 4.3Å; Y337-R341 VanDerWaalsContact O-CG 3.3Å; Y337-R341 WeakPolarHBondContact O-CG 3.46Å; Y337-R341 PolarHBondContact O-N 3.39Å; Y337-K415 HydrophobicContact CD1-CB 3.68Å; Y337-K415 HydrophobicContact CD1-CD 4.22Å; Y337-K415 HydrophobicContact CD1-CG 3.63Å; Y337-K415 HydrophobicContact CD2-CD 4.34Å; Y337-K415 HydrophobicContact CE1-CB 3.72Å; Y337-K415 HydrophobicContact CE1-CG 4.15Å; Y337-K415 HydrophobicContact CG-CB 4.37Å; Y337-K415 HydrophobicContact CG-CD 4.06Å; Y337-K415 HydrophobicContact CG-CG 3.88Å; Y337-V418 HydrophobicContact CD1-CB 3.91Å; Y337-V418 HydrophobicContact CD1-CG1 3.85Å; Y337-V418 HydrophobicContact CD1-CG2 4.22Å; Y337-V418 HydrophobicContact CE1-CB 4Å; Y337-V418 HydrophobicContact CE1-CG1 3.92Å; Y337-D419 VanDerWaalsContact OH-CG 3.23Å; Y337-D419 PolarHBondContact OH-OD1 3.39Å; Y337-D419 PolarHBondContact OH-OD2 2.69Å
338L98.2Very high97.4Very high6 Ų652.5 Ų52.53%0.03125%0.248CC..Hα-helixtrans-54.2-50.117617664000111V334 G335 R340 R341 L342 A363 V418V334-L338 WeakPolarHBondContact O-CB 3.5Å; V334-L338 PolarHBondContact O-N 2.9Å; G335-L338 WeakPolarHBondContact O-CB 3.3Å; G335-L338 PolarHBondContact O-N 2.74Å; L338-R340 PolarHBondContact O-N 3.17Å; L338-R341 PolarHBondContact O-N 2.9Å; L338-L342 HydrophobicContact CD1-CD1 3.85Å; L338-L342 HydrophobicContact CD1-CD2 4.34Å; L338-L342 HydrophobicContact CD1-CG 3.86Å; L338-L342 HydrophobicContact CG-CD1 3.92Å; L338-L342 HydrophobicContact CG-CG 4.27Å; L338-L342 WeakPolarHBondContact O-CB 3.44Å; L338-L342 VanDerWaalsContact O-CG 3.3Å; L338-L342 WeakPolarHBondContact O-CG 3.22Å; L338-L342 PolarHBondContact O-N 2.8Å; L338-A363 HydrophobicContact CD2-CB 3.93Å; L338-V418 HydrophobicContact CB-CG1 4.41Å; L338-V418 HydrophobicContact CB-CG2 4.13Å; L338-V418 HydrophobicContact CD1-CG1 3.92Å; L338-V418 HydrophobicContact CD1-CG2 4.22Å
339L97.8Very high97.2Very high47 Ų4751.1 Ų51.125%0.24624%0.241CC..Hα-helixtrans-54.3-51.5177.5-178.854.1000111.8G335 Y337 R341 L342 Q343 V356 A358G335-L339 PolarHBondContact O-N 2.79Å; Y337-L339 PolarHBondContact O-N 3.17Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 3.47Å; L339-L342 PolarHBondContact O-N 3.39Å; L339-Q343 HydrophobicContact CD1-CG 4.02Å; L339-Q343 HydrophobicContact CG-CG 4.45Å; L339-Q343 WeakPolarHBondContact O-CB 3.44Å; L339-Q343 WeakPolarHBondContact O-CG 3.27Å; L339-Q343 PolarHBondContact O-N 2.86Å; L339-V356 HydrophobicContact CD1-CG1 4Å; L339-A358 HydrophobicContact CB-CB 3.99Å; L339-A358 HydrophobicContact CD1-CB 3.97Å; L339-A358 HydrophobicContact CG-CB 4.44Å
340R98.2Very high96.9Very high133 Ų13354.1 Ų54.150%0.50225%0.253SS..Hα-helixtrans-59.9-41.4178.9-70.5-167.1-57.2-85.88.2112.4A336 Y337 L338 W344A336-R340 WeakPolarHBondContact O-CG 3.37Å; A336-R340 PolarHBondContact O-N 3.14Å; A336-R340 PolarHBondContact O-NH1 3.36Å; A336-R340 VanDerWaalsContact O-NH1 3.13Å; Y337-R340 PolarHBondContact O-N 2.93Å; L338-R340 PolarHBondContact O-N 3.17Å; R340-W344 WeakPolarHBondContact O-CB 3.47Å; R340-W344 PolarHBondContact O-N 2.88Å
341R97.4Very high96.7Very high45 Ų4555.2 Ų55.217%0.1726%0.264CS..Hα-helixtrans-67.4-39.7179-67.2-55.4-70.2134.82.7111.4Y337 L338 L339 W344 L345 V418 D419 L422Y337-R341 HydrophobicContact CD1-CG 4.02Å; Y337-R341 HydrophobicContact CD2-CG 4.25Å; Y337-R341 HydrophobicContact CE1-CG 3.7Å; Y337-R341 HydrophobicContact CE2-CG 3.94Å; Y337-R341 HydrophobicContact CG-CG 4.3Å; Y337-R341 VanDerWaalsContact O-CG 3.3Å; Y337-R341 WeakPolarHBondContact O-CG 3.46Å; Y337-R341 PolarHBondContact O-N 3.39Å; L338-R341 PolarHBondContact O-N 2.9Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 3.47Å; R341-W344 PolarHBondContact O-N 3.11Å; R341-L345 PolarHBondContact O-N 3.32Å; R341-V418 HydrophobicContact CB-CG1 3.96Å; R341-V418 HydrophobicContact CG-CG1 3.91Å; R341-D419 IonicContact NE-OD1 2.73Å; R341-D419 PolarHBondContact NE-OD1 3.27Å; R341-D419 IonicContact NH2-OD1 3.82Å; R341-L422 HydrophobicContact CB-CD1 4.3Å; R341-L422 HydrophobicContact CB-CD2 3.69Å; R341-L422 WeakPolarHBondContact O-CD2 3.45Å
342L96.5Very high96.5Very high3 Ų356.3 Ų56.32%0.01627%0.271CS..Hα-helixtrans-70.3-39.6175.8-67-178.4000112.7L338 L339 W344 L345 Q346 V356 A363 I365 L422L338-L342 HydrophobicContact CD1-CD1 3.85Å; L338-L342 HydrophobicContact CD1-CD2 4.34Å; L338-L342 HydrophobicContact CD1-CG 3.86Å; L338-L342 HydrophobicContact CG-CD1 3.92Å; L338-L342 HydrophobicContact CG-CG 4.27Å; L338-L342 WeakPolarHBondContact O-CB 3.44Å; L338-L342 VanDerWaalsContact O-CG 3.3Å; L338-L342 WeakPolarHBondContact O-CG 3.22Å; L338-L342 PolarHBondContact O-N 2.8Å; L339-L342 PolarHBondContact O-N 3.39Å; L342-W344 VanDerWaalsContact C-N 3.33Å; L342-W344 PolarHBondContact O-N 3.22Å; L342-L345 CarbonylContact O-C 3.54Å; L342-L345 WeakPolarHBondContact O-CA 3.19Å; L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 3.43Å; L342-L345 VanDerWaalsContact O-N 3.11Å; L342-Q346 PolarHBondContact O-N 3.24Å; L342-V356 HydrophobicContact CB-CB 4.46Å; L342-V356 HydrophobicContact CB-CG1 3.39Å; L342-V356 HydrophobicContact CB-CG2 4.22Å; L342-V356 HydrophobicContact CD1-CG1 4.1Å; L342-V356 HydrophobicContact CG-CG1 4.41Å; L342-A363 HydrophobicContact CD1-CB 4.22Å; L342-I365 HydrophobicContact CD1-CD1 4.39Å; L342-I365 HydrophobicContact CD1-CG1 4.18Å; L342-I365 HydrophobicContact CD2-CD1 3.57Å; L342-I365 HydrophobicContact CD2-CG1 4.21Å; L342-L422 HydrophobicContact CD2-CD1 4.33Å
343Q96Very high96.5Very high76 Ų7651.8 Ų51.836%0.35525%0.252SS..Hα-helixtrans-63.3-39.3173.3-75.3173.2-30.800111.7L339 L345 Q346 G347 V356L339-Q343 HydrophobicContact CD1-CG 4.02Å; L339-Q343 HydrophobicContact CG-CG 4.45Å; L339-Q343 WeakPolarHBondContact O-CB 3.44Å; L339-Q343 WeakPolarHBondContact O-CG 3.27Å; L339-Q343 PolarHBondContact O-N 2.86Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 3.3Å; Q343-Q346 WeakPolarHBondContact O-CB 3.15Å; Q343-Q346 PolarHBondContact O-N 2.93Å; Q343-G347 PolarHBondContact O-N 2.92Å; Q343-V356 HydrophobicContact CG-CG1 4.41Å
344W96.3Very high96.4Very high97 Ų9748.3 Ų48.337%0.36723%0.234SC..Hα-helixtrans-61.2-39.5171.1172.295.4000112R340 R341 L342 G347 R348 L422R340-W344 WeakPolarHBondContact O-CB 3.47Å; R340-W344 PolarHBondContact O-N 2.88Å; R341-W344 PolarHBondContact O-N 3.11Å; L342-W344 VanDerWaalsContact C-N 3.33Å; L342-W344 PolarHBondContact O-N 3.22Å; W344-G347 PolarHBondContact O-N 3.47Å; W344-R348 VanDerWaalsContact CH2-CZ 3.48Å; W344-R348 VanDerWaalsContact CZ2-NH2 3.3Å; W344-R348 PolarHBondContact O-N 2.82Å; W344-L422 HydrophobicContact CE3-CD2 4.41Å; W344-L422 HydrophobicContact CZ3-CD2 4.46Å
345L94.9Very high96.3Very high10 Ų1049 Ų495%0.05224%0.237CC..Hα-helixtrans-66.2-42.9176.1-172.470.6000111.1R341 L342 Q343 G347 R348 H349 I353 L422 C427R341-L345 PolarHBondContact O-N 3.32Å; L342-L345 CarbonylContact O-C 3.54Å; L342-L345 WeakPolarHBondContact O-CA 3.19Å; L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 3.43Å; L342-L345 VanDerWaalsContact O-N 3.11Å; Q343-L345 VanDerWaalsContact C-N 3.29Å; Q343-L345 PolarHBondContact O-N 3.3Å; L345-G347 VanDerWaalsContact C-N 3.29Å; L345-G347 PolarHBondContact O-N 2.93Å; L345-R348 PolarHBondContact O-N 3.41Å; L345-H349 PolarHBondContact O-CD2 3.44Å; L345-H349 PolarHBondContact O-N 3.38Å; L345-I353 HydrophobicContact CB-CD1 4.5Å; L345-I353 HydrophobicContact CD2-CD1 4.06Å; L345-I353 HydrophobicContact CG-CD1 3.87Å; L345-L422 HydrophobicContact CB-CD2 4.4Å; L345-C427 HydrophobicContact CD1-CB 4.31Å; L345-C427 HydrophobicContact CD2-CB 4.46Å
346Q94.9Very high96.2Very high41 Ų4149.3 Ų49.319%0.19224%0.238CC..Hα-helixtrans-55.8-44.6172.3-178.5-179.728.300111.3L342 Q343 R348 H349 K350 I353 G354 V356L342-Q346 PolarHBondContact O-N 3.24Å; Q343-Q346 WeakPolarHBondContact O-CB 3.15Å; Q343-Q346 PolarHBondContact O-N 2.93Å; Q346-R348 PolarHBondContact O-N 3.11Å; Q346-H349 CarbonylContact O-C 3.32Å; Q346-H349 PolarHBondContact O-N 3.05Å; Q346-K350 WeakPolarHBondContact O-CA 3.48Å; Q346-K350 WeakPolarHBondContact O-CG 3.47Å; Q346-K350 PolarHBondContact O-N 3.24Å; Q346-I353 HydrophobicContact CB-CB 4.22Å; Q346-I353 HydrophobicContact CB-CG2 3.73Å; Q346-I353 HydrophobicContact CG-CB 4.06Å; Q346-I353 HydrophobicContact CG-CG2 3.66Å; Q346-G354 PolarHBondContact NE2-O 3.45Å; Q346-G354 VanDerWaalsContact NE2-O 3.08Å; Q346-V356 HydrophobicContact CB-CG2 3.96Å; Q346-V356 HydrophobicContact CG-CG2 4.49Å
347G94.5Very high96.1Very high39 Ų3948 Ų4840%0.40222%0.224SC..Hα-helixtrans-61-28.9176.300000114.1Q343 W344 L345 K350Q343-G347 PolarHBondContact O-N 2.92Å; W344-G347 PolarHBondContact O-N 3.47Å; L345-G347 VanDerWaalsContact C-N 3.29Å; L345-G347 PolarHBondContact O-N 2.93Å; G347-K350 WeakPolarHBondContact O-CE 3.27Å; G347-K350 WeakPolarHBondContact O-CG 3.33Å
348R94.7Very high96.1Very high160 Ų16046.5 Ų46.560%0.60422%0.221SC*.Hα-helixtrans-84.5-27.1175.8-72.1-166.7168.3179.3-0.3114W344 L345 Q346W344-R348 VanDerWaalsContact CH2-CZ 3.48Å; W344-R348 VanDerWaalsContact CZ2-NH2 3.3Å; W344-R348 PolarHBondContact O-N 2.82Å; L345-R348 PolarHBondContact O-N 3.41Å; Q346-R348 PolarHBondContact O-N 3.11Å
349H94Very high96Very high27 Ų2748 Ų4813%0.12523%0.229CC..  trans-124.346.9-175.1-59-69.8000111.1L345 Q346 S351 V352 I353 C427 L429L345-H349 PolarHBondContact O-CD2 3.44Å; L345-H349 PolarHBondContact O-N 3.38Å; Q346-H349 CarbonylContact O-C 3.32Å; Q346-H349 PolarHBondContact O-N 3.05Å; H349-S351 PolarHBondContact O-N 2.99Å; H349-S351 VanDerWaalsContact O-N 3.16Å; H349-V352 HydrophobicContact CB-CG2 3.77Å; H349-V352 WeakPolarHBondContact O-CG2 3.04Å; H349-V352 PolarHBondContact O-N 3.3Å; H349-I353 HydrophobicContact CB-CD1 4.06Å; H349-I353 HydrophobicContact CB-CG1 4.17Å; H349-I353 PolarHBondContact O-N 2.98Å; H349-C427 PolarHBondContact NE2-O 3.2Å; H349-C427 VanDerWaalsContact NE2-O 3.17Å; H349-L429 HydrophobicContact CB-CB 4.26Å; H349-L429 HydrophobicContact CB-CD1 3.77Å; H349-L429 PolarHBondContact CE1-N 2.79Å; H349-L429 PolarHBondContact ND1-O 3.48Å; H349-L429 VanDerWaalsContact ND1-O 3.08Å
350K92.2Very high96.1Very high138 Ų13846.1 Ų46.160%0.622%0.221SC*.THydrogen-bonded Turntrans-57.4-31.4-175.6-65.6-177.5-178.5-176.90112.9Q346 G347 V352 L371Q346-K350 WeakPolarHBondContact O-CA 3.48Å; Q346-K350 WeakPolarHBondContact O-CG 3.47Å; Q346-K350 PolarHBondContact O-N 3.24Å; G347-K350 WeakPolarHBondContact O-CE 3.27Å; G347-K350 WeakPolarHBondContact O-CG 3.33Å; K350-V352 PolarHBondContact O-N 3.43Å; K350-L371 VanDerWaalsContact O-CD1 3.25Å; K350-L371 WeakPolarHBondContact O-CD1 3.09Å; K350-L371 WeakPolarHBondContact O-CD2 3.16Å; K350-L371 WeakPolarHBondContact O-CG 3.33Å
351S93.9Very high96.1Very high69 Ų6939.8 Ų39.848%0.48320%0.197SC..THydrogen-bonded Turntrans-66.5-20179.751.80000114.1H349H349-S351 PolarHBondContact O-N 2.99Å; H349-S351 VanDerWaalsContact O-N 3.16Å
352V96Very high96.1Very high24 Ų2437.6 Ų37.615%0.14519%0.189CC..THydrogen-bonded Turntrans-129.2-22.3-172-66.10000114.4H349 K350 L367 V368 L380 L429H349-V352 HydrophobicContact CB-CG2 3.77Å; H349-V352 WeakPolarHBondContact O-CG2 3.04Å; H349-V352 PolarHBondContact O-N 3.3Å; K350-V352 PolarHBondContact O-N 3.43Å; V352-L367 CarbonylContact O-C 3.14Å; V352-L367 VanDerWaalsContact O-CA 3.26Å; V352-L367 WeakPolarHBondContact O-CA 3.3Å; V352-V368 WeakPolarHBondContact CA-O 3.41Å; V352-V368 PolarHBondContact O-N 3.3Å; V352-L380 HydrophobicContact CB-CD2 4.14Å; V352-L380 HydrophobicContact CG1-CD2 4.2Å; V352-L429 HydrophobicContact CG2-CB 3.92Å; V352-L429 HydrophobicContact CG2-CD1 3.59Å; V352-L429 HydrophobicContact CG2-CG 4.26Å
353I97.1Very high96.2Very high3 Ų337.5 Ų37.52%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-98.9102.8174.5-57.7-178.4000108.6L345 Q346 H349 V356 I365 L367 L429L345-I353 HydrophobicContact CB-CD1 4.5Å; L345-I353 HydrophobicContact CD2-CD1 4.06Å; L345-I353 HydrophobicContact CG-CD1 3.87Å; Q346-I353 HydrophobicContact CB-CB 4.22Å; Q346-I353 HydrophobicContact CB-CG2 3.73Å; Q346-I353 HydrophobicContact CG-CB 4.06Å; Q346-I353 HydrophobicContact CG-CG2 3.66Å; H349-I353 HydrophobicContact CB-CD1 4.06Å; H349-I353 HydrophobicContact CB-CG1 4.17Å; H349-I353 PolarHBondContact O-N 2.98Å; I353-V356 HydrophobicContact CG2-CG2 3.72Å; I353-I365 HydrophobicContact CD1-CG2 4.26Å; I353-I365 HydrophobicContact CG1-CG2 4.26Å; I353-I365 HydrophobicContact CG2-CG2 3.71Å; I353-L367 HydrophobicContact CG1-CD2 3.92Å; I353-L429 HydrophobicContact CD1-CD1 3.87Å; I353-L429 HydrophobicContact CG1-CD1 3.9Å
354G96.7Very high96.2Very high2 Ų233.9 Ų33.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-77.4-46.2-177.500000112.9Y161 Q346 D366Y161-G354 WeakPolarHBondContact OH-CA 3.45Å; Q346-G354 PolarHBondContact NE2-O 3.45Å; Q346-G354 VanDerWaalsContact NE2-O 3.08Å; G354-D366 PolarHBondContact N-O 2.64Å
355H96.9Very high96.3Very high19 Ų1929.5 Ų29.59%0.08816%0.155CC..EExtended strand (participates in β ladder)trans-148140.6-179.2-179-151.5000111.1Y161 R357 D366Y161-H355 HydrophobicContact CD1-CB 3.79Å; Y161-H355 HydrophobicContact CD2-CB 3.81Å; Y161-H355 HydrophobicContact CE1-CB 3.79Å; Y161-H355 HydrophobicContact CE2-CB 3.78Å; Y161-H355 HydrophobicContact CG-CB 3.83Å; Y161-H355 AromaticContact CG-ND1 3.74Å; H355-R357 PolarHBondContact ND1-NH1 3.26Å; H355-D366 HydrophobicContact CB-CB 4.11Å; H355-D366 WeakPolarHBondContact O-CB 3.39Å; H355-D366 PolarHBondContact O-N 3.12Å
356V97.1Very high96.4Very high8 Ų829 Ų295%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-118.5130.4170.7167.50000108L339 L342 Q343 Q346 I353 I365L339-V356 HydrophobicContact CD1-CG1 4Å; L342-V356 HydrophobicContact CB-CB 4.46Å; L342-V356 HydrophobicContact CB-CG1 3.39Å; L342-V356 HydrophobicContact CB-CG2 4.22Å; L342-V356 HydrophobicContact CD1-CG1 4.1Å; L342-V356 HydrophobicContact CG-CG1 4.41Å; Q343-V356 HydrophobicContact CG-CG1 4.41Å; Q346-V356 HydrophobicContact CB-CG2 3.96Å; Q346-V356 HydrophobicContact CG-CG2 4.49Å; I353-V356 HydrophobicContact CG2-CG2 3.72Å; V356-I365 HydrophobicContact CG2-CG2 4.3Å
357R96.2Very high96.6Very high14 Ų1427.1 Ų27.15%0.05314%0.144CC..EExtended strand (participates in β ladder)trans-133.9137.2175.554.8-160.5163-141.8-13.1110.2D159 G216 Q217 F219 H355 A363 G364 D366D159-R357 IonicContact OD1-NH1 3.52Å; D159-R357 IonicContact OD2-NH1 2.78Å; G216-R357 VanDerWaalsContact O-CZ 3.27Å; G216-R357 PolarHBondContact O-NE 2.99Å; G216-R357 VanDerWaalsContact O-NE 3.11Å; G216-R357 PolarHBondContact O-NH2 3.43Å; Q217-R357 WeakPolarHBondContact O-CD 3.33Å; Q217-R357 WeakPolarHBondContact O-CG 3.49Å; Q217-R357 PolarHBondContact O-NE 3.17Å; F219-R357 HydrophobicContact CD2-CB 4.34Å; F219-R357 HydrophobicContact CE2-CB 3.83Å; F219-R357 HydrophobicContact CZ-CB 4.28Å; H355-R357 PolarHBondContact ND1-NH1 3.26Å; R357-A363 CarbonylContact O-C 3.59Å; R357-A363 WeakPolarHBondContact O-CA 3.1Å; R357-A363 WeakPolarHBondContact O-CB 3.37Å; R357-G364 PolarHBondContact N-O 3.43Å; R357-G364 PolarHBondContact O-N 3.39Å; R357-D366 IonicContact NH2-OD2 2.97Å; R357-D366 PolarHBondContact NH2-OD2 2.93Å
358A97.6Very high96.8Very high15 Ų1525.3 Ų25.312%0.12413%0.125CC..EExtended strand (participates in β ladder)trans-152137.4175.500000110.9L339 F362 A363L339-A358 HydrophobicContact CB-CB 3.99Å; L339-A358 HydrophobicContact CD1-CB 3.97Å; L339-A358 HydrophobicContact CG-CB 4.44Å; A358-F362 WeakPolarHBondContact CA-O 3.45Å; A358-A363 HydrophobicContact CB-CB 3.49Å; A358-A363 VanDerWaalsContact CB-CB 3.49Å
359L97.8Very high96.9Very high37 Ų3722.1 Ų22.119%0.19412%0.123CC..EExtended strand (participates in β ladder)trans-134.5111.1170.6176.362.4000107.8L211 F219 A251 S260 L361 F362L211-L359 HydrophobicContact CD1-CD2 4.04Å; L211-L359 HydrophobicContact CD2-CD2 4.16Å; F219-L359 HydrophobicContact CE1-CB 4.25Å; F219-L359 HydrophobicContact CE2-CB 3.88Å; F219-L359 HydrophobicContact CZ-CB 3.72Å; A251-L359 HydrophobicContact CB-CD2 3.94Å; A251-L359 HydrophobicContact CB-CG 3.88Å; S260-L359 VanDerWaalsContact CB-CD2 3.5Å; S260-L359 VanDerWaalsContact OG-CD2 3.22Å; S260-L359 WeakPolarHBondContact OG-CD2 3.37Å; L359-L361 PolarHBondContact O-N 3.01Å; L359-F362 PolarHBondContact N-O 3.15Å; L359-F362 PolarHBondContact O-N 3.47Å
360G98.5Very high97Very high8 Ų824.1 Ų24.18%0.08214%0.135CC..THydrogen-bonded Turntrans55.4-131.7-16800000111.4A251 A331 G335 F362A251-G360 VanDerWaalsContact O-CA 3.3Å; A251-G360 WeakPolarHBondContact O-CA 3.18Å; A251-G360 PolarHBondContact O-N 2.86Å; A331-G360 CarbonylContact O-C 3.53Å; A331-G360 WeakPolarHBondContact O-CA 3.44Å; G335-G360 WeakPolarHBondContact CA-O 3.4Å; G360-F362 VanDerWaalsContact C-N 3.31Å; G360-F362 PolarHBondContact O-N 3.26Å
361L98.3Very high97Very high0 Ų021.3 Ų21.30%013%0.126CC..THydrogen-bonded Turntrans-97.241.6177.8-67.9173.6000112.3R250 A331 V334 L359 P409 M411 F413R250-L361 WeakPolarHBondContact CD-O 3.37Å; R250-L361 PolarHBondContact NH1-O 3.03Å; R250-L361 PolarHBondContact O-N 3.3Å; A331-L361 HydrophobicContact CB-CB 4.4Å; A331-L361 HydrophobicContact CB-CD1 3.84Å; A331-L361 HydrophobicContact CB-CG 3.91Å; V334-L361 HydrophobicContact CB-CD2 4.25Å; V334-L361 HydrophobicContact CG1-CD2 3.94Å; L359-L361 PolarHBondContact O-N 3.01Å; L361-P409 HydrophobicContact CB-CG 4.32Å; L361-P409 HydrophobicContact CD2-CG 4.14Å; L361-M411 HydrophobicContact CD1-SD 4.18Å; L361-F413 HydrophobicContact CD1-CB 4.24Å; L361-F413 HydrophobicContact CD2-CB 4.44Å
362F98.2Very high96.9Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-130.4110.7171-176.1-75.7000107.8L211 Q217 F219 T246 R250 A358 L359 G360 F407 K408L211-F362 HydrophobicContact CB-CE1 3.92Å; L211-F362 HydrophobicContact CB-CE2 4.34Å; L211-F362 HydrophobicContact CB-CZ 3.8Å; L211-F362 HydrophobicContact CD1-CD1 4.07Å; L211-F362 HydrophobicContact CD1-CD2 4.49Å; L211-F362 HydrophobicContact CD1-CE1 4.28Å; L211-F362 HydrophobicContact CD1-CG 4.15Å; Q217-F362 HydrophobicContact CB-CD1 4.23Å; Q217-F362 HydrophobicContact CB-CE1 3.6Å; Q217-F362 HydrophobicContact CB-CZ 4.28Å; Q217-F362 HydrophobicContact CG-CE1 4.22Å; F219-F362 HydrophobicContact CD1-CE1 4.43Å; F219-F362 AromaticContact CE1-CD1 3.56Å; F219-F362 HydrophobicContact CE1-CD1 3.56Å; F219-F362 AromaticContact CE1-CE1 3.66Å; F219-F362 HydrophobicContact CE1-CE1 3.66Å; F219-F362 HydrophobicContact CZ-CD1 4.15Å; T246-F362 HydrophobicContact CG2-CD2 3.94Å; T246-F362 HydrophobicContact CG2-CE2 3.65Å; T246-F362 HydrophobicContact CG2-CZ 4.41Å; R250-F362 HydrophobicContact CG-CB 4.15Å; A358-F362 WeakPolarHBondContact CA-O 3.45Å; L359-F362 PolarHBondContact N-O 3.15Å; L359-F362 PolarHBondContact O-N 3.47Å; G360-F362 VanDerWaalsContact C-N 3.31Å; G360-F362 PolarHBondContact O-N 3.26Å; F362-F407 WeakPolarHBondContact CA-O 3.28Å; F362-K408 HydrophobicContact CD2-CD 3.68Å; F362-K408 HydrophobicContact CD2-CG 3.89Å; F362-K408 HydrophobicContact CE2-CD 3.77Å; F362-K408 HydrophobicContact CE2-CG 4.43Å; F362-K408 HydrophobicContact CG-CG 4.38Å
363A97.7Very high96.9Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-143.6151-173.700000113.5L338 L342 R357 A358 F407L338-A363 HydrophobicContact CD2-CB 3.93Å; L342-A363 HydrophobicContact CD1-CB 4.22Å; R357-A363 CarbonylContact O-C 3.59Å; R357-A363 WeakPolarHBondContact O-CA 3.1Å; R357-A363 WeakPolarHBondContact O-CB 3.37Å; A358-A363 HydrophobicContact CB-CB 3.49Å; A358-A363 VanDerWaalsContact CB-CB 3.49Å; A363-F407 HydrophobicContact CB-CB 4.14Å; A363-F407 PolarHBondContact N-O 3.42Å; A363-F407 PolarHBondContact O-N 2.99Å
364G97.2Very high96.8Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-132.6139.4177.300000112R357 L405R357-G364 PolarHBondContact N-O 3.43Å; R357-G364 PolarHBondContact O-N 3.39Å; G364-L405 CarbonylContact C-O 3.42Å; G364-L405 WeakPolarHBondContact CA-O 3.41Å
365I97.8Very high96.8Very high6 Ų633.6 Ų33.63%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-115.5109.8171.7-49.2175000107.8L342 I353 V356 L367 I404 L405 F407L342-I365 HydrophobicContact CD1-CD1 4.39Å; L342-I365 HydrophobicContact CD1-CG1 4.18Å; L342-I365 HydrophobicContact CD2-CD1 3.57Å; L342-I365 HydrophobicContact CD2-CG1 4.21Å; I353-I365 HydrophobicContact CD1-CG2 4.26Å; I353-I365 HydrophobicContact CG1-CG2 4.26Å; I353-I365 HydrophobicContact CG2-CG2 3.71Å; V356-I365 HydrophobicContact CG2-CG2 4.3Å; I365-L367 HydrophobicContact CG2-CD2 3.98Å; I365-L367 PolarHBondContact O-N 3.18Å; I365-I404 CarbonylContact O-C 3.58Å; I365-I404 VanDerWaalsContact O-CA 3.27Å; I365-I404 WeakPolarHBondContact O-CA 3.35Å; I365-L405 HydrophobicContact CB-CB 4.19Å; I365-L405 HydrophobicContact CD1-CD1 4.47Å; I365-L405 PolarHBondContact N-O 3.21Å; I365-L405 PolarHBondContact O-N 3.19Å; I365-F407 HydrophobicContact CD1-CD2 4.33Å; I365-F407 HydrophobicContact CD1-CE2 3.53Å; I365-F407 HydrophobicContact CD1-CZ 4.26Å; I365-F407 HydrophobicContact CG1-CD2 4.44Å; I365-F407 HydrophobicContact CG1-CE2 4.06Å
366D97.7Very high96.9Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-85.8109.1-178.9-160.4-45.9000110.7Y161 R162 G354 H355 R357 N403 I404Y161-D366 HydrophobicContact CD1-CB 4.35Å; Y161-D366 HydrophobicContact CE1-CB 4.08Å; R162-D366 WeakPolarHBondContact CD-OD2 3.37Å; R162-D366 IonicContact CZ-OD1 2.79Å; R162-D366 VanDerWaalsContact CZ-OD1 3.27Å; R162-D366 IonicContact CZ-OD2 3.7Å; R162-D366 VanDerWaalsContact NE-CG 3.31Å; R162-D366 IonicContact NE-OD1 3.71Å; R162-D366 PolarHBondContact NE-OD1 3.32Å; R162-D366 VanDerWaalsContact NE-OD1 3.11Å; R162-D366 IonicContact NE-OD2 3.48Å; R162-D366 PolarHBondContact NE-OD2 3.16Å; R162-D366 IonicContact NH2-OD1 2.68Å; R162-D366 PolarHBondContact NH2-OD1 3.12Å; R162-D366 IonicContact NH2-OD2 2.72Å; G354-D366 PolarHBondContact N-O 2.64Å; H355-D366 HydrophobicContact CB-CB 4.11Å; H355-D366 WeakPolarHBondContact O-CB 3.39Å; H355-D366 PolarHBondContact O-N 3.12Å; R357-D366 IonicContact NH2-OD2 2.97Å; R357-D366 PolarHBondContact NH2-OD2 2.93Å; D366-N403 PolarHBondContact OD1-ND2 2.89Å; D366-I404 HydrophobicContact CB-CG1 4.24Å
367L98.4Very high96.9Very high1 Ų134.3 Ų34.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-91.7132-178.7-56.6175.7000111.2V352 I353 I365 A377 L380 A381 L384 N403 L405V352-L367 CarbonylContact O-C 3.14Å; V352-L367 VanDerWaalsContact O-CA 3.26Å; V352-L367 WeakPolarHBondContact O-CA 3.3Å; I353-L367 HydrophobicContact CG1-CD2 3.92Å; I365-L367 HydrophobicContact CG2-CD2 3.98Å; I365-L367 PolarHBondContact O-N 3.18Å; L367-A377 HydrophobicContact CB-CB 3.93Å; L367-A377 PolarHBondContact O-N 3.35Å; L367-L380 HydrophobicContact CD1-CG 4.41Å; L367-A381 HydrophobicContact CD1-CB 3.95Å; L367-L384 HydrophobicContact CD1-CD1 3.53Å; L367-N403 WeakPolarHBondContact CB-O 3.42Å; L367-N403 PolarHBondContact N-O 2.85Å; L367-N403 PolarHBondContact O-ND2 3.39Å; L367-L405 HydrophobicContact CD1-CD1 4.07Å; L367-L405 HydrophobicContact CD1-CD2 4.28Å; L367-L405 HydrophobicContact CD1-CG 3.91Å; L367-L405 HydrophobicContact CG-CG 4.5Å
368V98Very high97Very high0 Ų036.6 Ų36.60%020%0.204CC..BIsolated β-bridgetrans-126.4153.3-177.7-63.70000111.9V352 L371 R374 L375V352-V368 WeakPolarHBondContact CA-O 3.41Å; V352-V368 PolarHBondContact O-N 3.3Å; V368-L371 HydrophobicContact CG2-CD2 3.87Å; V368-R374 HydrophobicContact CG1-CB 4.39Å; V368-L375 CarbonylContact C-O 3.49Å; V368-L375 WeakPolarHBondContact CA-O 3.45Å; V368-L375 WeakPolarHBondContact CB-O 3.44Å
369T97.6Very high97Very high94 Ų9444.1 Ų44.158%0.57724%0.236SC*.SBendtrans-92-16.5168.557.20000112.3L375 A377T369-L375 PolarHBondContact N-O 3.41Å; T369-L375 WeakPolarHBondContact OG1-CB 3.47Å; T369-A377 HydrophobicContact CG2-CB 3.84Å
370N95.6Very high96.9Very high69 Ų6944.7 Ų44.737%0.36924%0.239SC..  trans-151.3132.3175.8176.3-70.9000109.6E372 S373 R374N370-E372 PolarHBondContact OD1-N 3.13Å; N370-S373 WeakPolarHBondContact CB-OG 3.46Å; N370-S373 PolarHBondContact OD1-N 3.2Å; N370-S373 PolarHBondContact OD1-OG 2.91Å; N370-R374 VanDerWaalsContact O-CA 3.24Å; N370-R374 WeakPolarHBondContact O-CA 3.39Å; N370-R374 PolarHBondContact O-N 2.95Å
371L92.5Very high96.9Very high79 Ų7944.3 Ų44.341%0.41424%0.236SC..THydrogen-bonded Turntrans-71.3-36.5-174.5-70.6171.9000113.9K350 V368 R374K350-L371 VanDerWaalsContact O-CD1 3.25Å; K350-L371 WeakPolarHBondContact O-CD1 3.09Å; K350-L371 WeakPolarHBondContact O-CD2 3.16Å; K350-L371 WeakPolarHBondContact O-CG 3.33Å; V368-L371 HydrophobicContact CG2-CD2 3.87Å; L371-R374 WeakPolarHBondContact O-CG 3.37Å
372E92Very high96.7Very high178 Ų17847 Ų4783%0.83226%0.258SS*.THydrogen-bonded Turntrans-75.7-50.7-176.1-64.8179.7174.900110.7N370 R374N370-E372 PolarHBondContact OD1-N 3.13Å; E372-R374 VanDerWaalsContact C-N 3.3Å; E372-R374 PolarHBondContact O-N 3.32Å
373S95Very high96.6Very high55 Ų5552.8 Ų52.839%0.38528%0.283SS..THydrogen-bonded Turntrans-76.9-18.417968.70000113.1N370 L375N370-S373 WeakPolarHBondContact CB-OG 3.46Å; N370-S373 PolarHBondContact OD1-N 3.2Å; N370-S373 PolarHBondContact OD1-OG 2.91Å; S373-L375 PolarHBondContact O-N 2.84Å; S373-L375 WeakPolarHBondContact OG-CG 3.35Å
374R95.7Very high96.5Very high25 Ų2553.5 Ų53.59%0.09429%0.287CS..  trans57.727.2-176.6-51.8175.5-169.9-175.2-2.1112.7Y161 R162 L167 V368 N370 L371 E372Y161-R374 HydrophobicContact CE2-CG 4.34Å; Y161-R374 VanDerWaalsContact O-CD 3.31Å; Y161-R374 WeakPolarHBondContact O-CD 3.47Å; Y161-R374 PolarHBondContact O-NH1 3.04Å; R162-R374 VanDerWaalsContact CZ-O 3.31Å; R162-R374 PolarHBondContact NH1-O 3.23Å; R162-R374 PolarHBondContact NH2-O 3.48Å; L167-R374 PolarHBondContact O-NH1 3.36Å; L167-R374 VanDerWaalsContact O-NH1 3.08Å; L167-R374 PolarHBondContact O-NH2 2.99Å; V368-R374 HydrophobicContact CG1-CB 4.39Å; N370-R374 VanDerWaalsContact O-CA 3.24Å; N370-R374 WeakPolarHBondContact O-CA 3.39Å; N370-R374 PolarHBondContact O-N 2.95Å; L371-R374 WeakPolarHBondContact O-CG 3.37Å; E372-R374 VanDerWaalsContact C-N 3.3Å; E372-R374 PolarHBondContact O-N 3.32Å
375L97.1Very high96.3Very high98 Ų9854.5 Ų54.551%0.51329%0.293SS..  trans-55.6131.9177.6-79.2172.7000110.7V368 T369 S373V368-L375 CarbonylContact C-O 3.49Å; V368-L375 WeakPolarHBondContact CA-O 3.45Å; V368-L375 WeakPolarHBondContact CB-O 3.44Å; T369-L375 PolarHBondContact N-O 3.41Å; T369-L375 WeakPolarHBondContact OG1-CB 3.47Å; S373-L375 PolarHBondContact O-N 2.84Å; S373-L375 WeakPolarHBondContact OG-CG 3.35Å
376P98.1Very high96.1Very high36 Ų3656.8 Ų56.823%0.23431%0.309CS..BIsolated β-bridgetrans-72132.7-172.528.9-35.4000112.6T378 H401 N403P376-T378 VanDerWaalsContact C-N 3.32Å; P376-T378 PolarHBondContact O-N 3.11Å; P376-H401 HydrophobicContact CB-CB 3.55Å; P376-H401 HydrophobicContact CG-CB 3.72Å; P376-N403 HydrophobicContact CB-CB 3.76Å; P376-N403 VanDerWaalsContact CB-CG 3.48Å
377A98.1Very high95.9Very high6 Ų659.3 Ų59.35%0.0532%0.321CS..  trans-89.260174.500000112.5L367 T369 Q379 L380 A381L367-A377 HydrophobicContact CB-CB 3.93Å; L367-A377 PolarHBondContact O-N 3.35Å; T369-A377 HydrophobicContact CG2-CB 3.84Å; A377-Q379 PolarHBondContact O-N 3.45Å; A377-L380 HydrophobicContact CB-CB 3.99Å; A377-L380 HydrophobicContact CB-CD2 4.26Å; A377-L380 PolarHBondContact O-N 2.83Å; A377-A381 PolarHBondContact O-N 3.48Å
378T98Very high95.7Very high61 Ų6159.5 Ų59.537%0.37432%0.322SS..Hα-helixtrans-56.9-46.3-175.3-54.70000113.6P376 L380 A381 A382 H401P376-T378 VanDerWaalsContact C-N 3.32Å; P376-T378 PolarHBondContact O-N 3.11Å; T378-L380 VanDerWaalsContact C-N 3.33Å; T378-L380 PolarHBondContact O-N 3.05Å; T378-A381 PolarHBondContact O-N 3Å; T378-A382 PolarHBondContact O-N 3.22Å; T378-H401 WeakPolarHBondContact CB-O 3.12Å; T378-H401 WeakPolarHBondContact CG2-O 3.25Å; T378-H401 PolarHBondContact OG1-O 2.72Å
379Q97.7Very high95.5Very high174 Ų17460.9 Ų60.981%0.81333%0.327SS*.Hα-helixtrans-66.1-38.3-178.8-63.1-177.227.100111.7A377 A382 K383A377-Q379 PolarHBondContact O-N 3.45Å; Q379-A382 PolarHBondContact O-N 2.77Å; Q379-K383 WeakPolarHBondContact O-CB 3.4Å; Q379-K383 PolarHBondContact O-N 3.17Å
380L96.7Very high95.3Very high49 Ų4962.2 Ų62.226%0.25733%0.325SS..Hα-helixtrans-63.7-44.9175.1178.560000110.9V352 L367 A377 T378 A382 K383 L384 L429V352-L380 HydrophobicContact CB-CD2 4.14Å; V352-L380 HydrophobicContact CG1-CD2 4.2Å; L367-L380 HydrophobicContact CD1-CG 4.41Å; A377-L380 HydrophobicContact CB-CB 3.99Å; A377-L380 HydrophobicContact CB-CD2 4.26Å; A377-L380 PolarHBondContact O-N 2.83Å; T378-L380 VanDerWaalsContact C-N 3.33Å; T378-L380 PolarHBondContact O-N 3.05Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-A382 PolarHBondContact O-N 3.21Å; L380-K383 PolarHBondContact O-N 3.13Å; L380-L384 HydrophobicContact CD1-CD1 4.16Å; L380-L384 HydrophobicContact CD1-CG 4.17Å; L380-L384 HydrophobicContact CG-CD1 3.97Å; L380-L384 HydrophobicContact CG-CG 4.44Å; L380-L384 VanDerWaalsContact O-CG 3.3Å; L380-L384 WeakPolarHBondContact O-CG 3.23Å; L380-L384 PolarHBondContact O-N 2.83Å; L380-L429 HydrophobicContact CD1-CD2 4.27Å; L380-L429 HydrophobicContact CD2-CD2 4.46Å
381A97.1Very high95.2Very high0 Ų064.1 Ų64.10%033%0.33CS..Hα-helixtrans-58.1-46.1176.500000111.9L367 A377 T378 K383 L384 V385 G402 L405L367-A381 HydrophobicContact CD1-CB 3.95Å; A377-A381 PolarHBondContact O-N 3.48Å; T378-A381 PolarHBondContact O-N 3Å; A381-K383 PolarHBondContact O-N 2.93Å; A381-L384 PolarHBondContact O-N 3.44Å; A381-V385 WeakPolarHBondContact O-CG2 3.39Å; A381-V385 PolarHBondContact O-N 2.94Å; A381-G402 WeakPolarHBondContact CB-O 3.49Å; A381-L405 HydrophobicContact CB-CD2 4.1Å
382A95.4Very high95.4Very high57 Ų5763.5 Ų63.547%0.47133%0.325SS..Hα-helixtrans-61.8-43.1176.500000112.5T378 Q379 L380 V385 S386T378-A382 PolarHBondContact O-N 3.22Å; Q379-A382 PolarHBondContact O-N 2.77Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-A382 PolarHBondContact O-N 3.21Å; A382-V385 PolarHBondContact O-N 3.4Å; A382-S386 PolarHBondContact O-N 3.23Å; A382-S386 VanDerWaalsContact O-N 3.09Å
383K95Very high95.6Very high121 Ų12155 Ų5553%0.52629%0.285SS..Hα-helixtrans-59.2-47.2174.8-174.9177.4179.6179.50111Q379 L380 A381 V385 S386 E387Q379-K383 WeakPolarHBondContact O-CB 3.4Å; Q379-K383 PolarHBondContact O-N 3.17Å; L380-K383 PolarHBondContact O-N 3.13Å; A381-K383 PolarHBondContact O-N 2.93Å; K383-V385 PolarHBondContact O-N 2.94Å; K383-S386 WeakPolarHBondContact O-CB 3.48Å; K383-S386 PolarHBondContact O-N 3.27Å; K383-E387 HydrophobicContact CG-CG 4.45Å; K383-E387 WeakPolarHBondContact O-CG 3.26Å; K383-E387 PolarHBondContact O-N 2.92Å
384L94.8Very high95.7Very high15 Ų1552.6 Ų52.68%0.07927%0.268CS..Hα-helixtrans-63-42.4179.1-70.1167.7000112.6L367 L380 A381 S386 E387 M388 L405 C426 L429L367-L384 HydrophobicContact CD1-CD1 3.53Å; L380-L384 HydrophobicContact CD1-CD1 4.16Å; L380-L384 HydrophobicContact CD1-CG 4.17Å; L380-L384 HydrophobicContact CG-CD1 3.97Å; L380-L384 HydrophobicContact CG-CG 4.44Å; L380-L384 VanDerWaalsContact O-CG 3.3Å; L380-L384 WeakPolarHBondContact O-CG 3.23Å; L380-L384 PolarHBondContact O-N 2.83Å; A381-L384 PolarHBondContact O-N 3.44Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 2.86Å; L384-E387 PolarHBondContact O-N 2.83Å; L384-M388 WeakPolarHBondContact O-CB 3.42Å; L384-M388 WeakPolarHBondContact O-CG 3.3Å; L384-M388 PolarHBondContact O-N 2.65Å; L384-L405 HydrophobicContact CB-CD1 4.44Å; L384-L405 HydrophobicContact CD1-CD1 4.04Å; L384-C426 WeakPolarHBondContact CD2-O 3.33Å; L384-L429 HydrophobicContact CD1-CD2 3.54Å; L384-L429 HydrophobicContact CD2-CD2 3.56Å; L384-L429 HydrophobicContact CG-CD2 4.07Å
385V94.7Very high95.7Very high20 Ų2051.5 Ų51.512%0.12126%0.264CS..Hα-helixtrans-58.4-44.6175.1168.50000111.2Y12 A381 A382 K383 R389 I395 L405Y12-V385 HydrophobicContact CD1-CG1 4.41Å; Y12-V385 HydrophobicContact CE1-CG1 3.82Å; A381-V385 WeakPolarHBondContact O-CG2 3.39Å; A381-V385 PolarHBondContact O-N 2.94Å; A382-V385 PolarHBondContact O-N 3.4Å; K383-V385 PolarHBondContact O-N 2.94Å; V385-R389 PolarHBondContact O-N 3.11Å; V385-R389 VanDerWaalsContact O-N 3.15Å; V385-I395 WeakPolarHBondContact CG1-O 3.44Å; V385-I395 HydrophobicContact CG2-CD1 4.13Å; V385-I395 HydrophobicContact CG2-CG1 4.22Å; V385-L405 HydrophobicContact CG2-CD2 3.97Å
386S93.5Very high95.6Very high54 Ų5447.7 Ų47.738%0.37825%0.246SC..Hα-helixtrans-64-45.8176.8-173.80000112.3A382 K383 L384 R389 K390A382-S386 PolarHBondContact O-N 3.23Å; A382-S386 VanDerWaalsContact O-N 3.09Å; K383-S386 WeakPolarHBondContact O-CB 3.48Å; K383-S386 PolarHBondContact O-N 3.27Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 2.86Å; S386-R389 WeakPolarHBondContact O-CB 3.22Å; S386-R389 PolarHBondContact O-N 2.87Å; S386-K390 WeakPolarHBondContact O-CG 3.4Å; S386-K390 PolarHBondContact O-N 3.16Å; S386-K390 VanDerWaalsContact O-N 3.15Å
387E93.5Very high95.5Very high54 Ų5447.5 Ų47.525%0.25225%0.246SC..Hα-helixtrans-67-41.5-179.7-71.6-52.3126.400112.8K383 L384 R389 K390 K391 C426K383-E387 HydrophobicContact CG-CG 4.45Å; K383-E387 WeakPolarHBondContact O-CG 3.26Å; K383-E387 PolarHBondContact O-N 2.92Å; L384-E387 PolarHBondContact O-N 2.83Å; E387-R389 VanDerWaalsContact C-N 3.31Å; E387-R389 PolarHBondContact O-N 2.74Å; E387-K390 WeakPolarHBondContact O-CB 3.41Å; E387-K390 PolarHBondContact O-N 3.1Å; E387-K390 VanDerWaalsContact O-N 3.13Å; E387-K390 IonicContact OE1-NZ 3.68Å; E387-K390 PolarHBondContact OE1-NZ 2.99Å; E387-K390 IonicContact OE2-NZ 2.74Å; E387-K391 WeakPolarHBondContact O-CG 3.36Å; E387-K391 PolarHBondContact O-N 3Å; E387-K391 VanDerWaalsContact O-N 3.14Å; E387-C426 HydrophobicContact CB-CB 3.97Å
388M94.4Very high95.3Very high4 Ų448.5 Ų48.52%0.0225%0.249CC..Hα-helixtrans-63.2-38.5176.1-69.3-64.4-71.700111.4L384 K390 K391 Q392 V393 I395 V421 C424 C426L384-M388 WeakPolarHBondContact O-CB 3.42Å; L384-M388 WeakPolarHBondContact O-CG 3.3Å; L384-M388 PolarHBondContact O-N 2.65Å; M388-K390 VanDerWaalsContact C-N 3.34Å; M388-K390 PolarHBondContact O-N 3.01Å; M388-K391 CarbonylContact O-C 3.56Å; M388-K391 VanDerWaalsContact O-C 3.28Å; M388-K391 WeakPolarHBondContact O-CA 3.19Å; M388-K391 WeakPolarHBondContact O-CB 3.44Å; M388-K391 PolarHBondContact O-N 2.99Å; M388-Q392 PolarHBondContact O-N 3.29Å; M388-V393 CarbonylContact C-O 3.52Å; M388-V393 HydrophobicContact CB-CB 4.39Å; M388-V393 HydrophobicContact CE-CB 3.79Å; M388-V393 HydrophobicContact CE-CG1 3.6Å; M388-V393 HydrophobicContact CE-CG2 4.22Å; M388-V393 PolarHBondContact O-N 3.38Å; M388-I395 HydrophobicContact CB-CD1 3.82Å; M388-I395 HydrophobicContact CB-CG1 3.67Å; M388-I395 HydrophobicContact CG-CD1 3.58Å; M388-I395 HydrophobicContact CG-CG1 4.02Å; M388-V421 HydrophobicContact CE-CG1 4.02Å; M388-V421 WeakPolarHBondContact CE-O 3.37Å; M388-C424 HydrophobicContact CE-CB 3.92Å; M388-C424 HydrophobicContact SD-CB 3.63Å; M388-C426 HydrophobicContact SD-CB 4.3Å
389R93.6Very high95.1Very high30 Ų3046 Ų4611%0.11324%0.236CC..Hα-helixtrans-59.9-42.9172.4-175.8-162.8179.6-110.4-4.5111.9Y12 N15 V385 S386 E387 K391 Q392 V393Y12-R389 HydrophobicContact CD1-CB 4.27Å; Y12-R389 VanDerWaalsContact CD1-CD 3.47Å; Y12-R389 HydrophobicContact CD1-CG 4.18Å; Y12-R389 HydrophobicContact CD2-CG 4.36Å; Y12-R389 HydrophobicContact CE1-CB 3.9Å; Y12-R389 HydrophobicContact CE1-CG 4.07Å; Y12-R389 HydrophobicContact CE2-CG 4.26Å; Y12-R389 VanDerWaalsContact CG-CD 3.41Å; Y12-R389 HydrophobicContact CG-CG 4.31Å; N15-R389 PolarHBondContact ND2-NH1 3.25Å; N15-R389 PolarHBondContact O-NE 2.8Å; N15-R389 PolarHBondContact O-NH1 3.49Å; N15-R389 PolarHBondContact O-NH2 2.81Å; N15-R389 PolarHBondContact OD1-NH2 3.45Å; V385-R389 PolarHBondContact O-N 3.11Å; V385-R389 VanDerWaalsContact O-N 3.15Å; S386-R389 WeakPolarHBondContact O-CB 3.22Å; S386-R389 PolarHBondContact O-N 2.87Å; E387-R389 VanDerWaalsContact C-N 3.31Å; E387-R389 PolarHBondContact O-N 2.74Å; R389-K391 PolarHBondContact O-N 2.77Å; R389-Q392 WeakPolarHBondContact O-CA 3.17Å; R389-Q392 PolarHBondContact O-N 2.99Å; R389-V393 PolarHBondContact N-O 2.73Å
390K92.9Very high95Very high121 Ų12140.7 Ų40.753%0.52622%0.216SC..Hα-helixtrans-60.3-28.7175.8-66.4172.7-172.6172.30111.9S386 E387 M388 Q392S386-K390 WeakPolarHBondContact O-CG 3.4Å; S386-K390 PolarHBondContact O-N 3.16Å; S386-K390 VanDerWaalsContact O-N 3.15Å; E387-K390 WeakPolarHBondContact O-CB 3.41Å; E387-K390 PolarHBondContact O-N 3.1Å; E387-K390 VanDerWaalsContact O-N 3.13Å; E387-K390 IonicContact OE1-NZ 3.68Å; E387-K390 PolarHBondContact OE1-NZ 2.99Å; E387-K390 IonicContact OE2-NZ 2.74Å; M388-K390 VanDerWaalsContact C-N 3.34Å; M388-K390 PolarHBondContact O-N 3.01Å; K390-Q392 VanDerWaalsContact C-N 3.29Å
391K94.5Very high94.9Very high109 Ų10942.7 Ų42.747%0.47422%0.224SC..THydrogen-bonded Turntrans-88.114.7172.5-57.9-59.4-177.8-174.90114.1E387 M388 R389 V393 C424E387-K391 WeakPolarHBondContact O-CG 3.36Å; E387-K391 PolarHBondContact O-N 3Å; E387-K391 VanDerWaalsContact O-N 3.14Å; M388-K391 CarbonylContact O-C 3.56Å; M388-K391 VanDerWaalsContact O-C 3.28Å; M388-K391 WeakPolarHBondContact O-CA 3.19Å; M388-K391 WeakPolarHBondContact O-CB 3.44Å; M388-K391 PolarHBondContact O-N 2.99Å; R389-K391 PolarHBondContact O-N 2.77Å; K391-V393 PolarHBondContact O-N 3.27Å; K391-C424 HydrophobicContact CB-CB 4.42Å; K391-C424 HydrophobicContact CG-CB 4.47Å
392Q95.9Very high94.8Very high66 Ų6643.7 Ų43.731%0.30823%0.234SC..THydrogen-bonded Turntrans63.725.6178.1-63.8156.5-107.200114.4K33 R34 Y35 L36 M388 R389 K390K33-Q392 HydrophobicContact CD-CG 4.26Å; K33-Q392 VanDerWaalsContact CE-OE1 3.27Å; K33-Q392 HydrophobicContact CG-CG 4.19Å; R34-Q392 WeakPolarHBondContact O-CB 3.44Å; R34-Q392 PolarHBondContact O-NE2 3.47Å; Y35-Q392 CarbonylContact C-O 3.58Å; Y35-Q392 VanDerWaalsContact CA-O 3.25Å; Y35-Q392 WeakPolarHBondContact CA-O 3.34Å; Y35-Q392 HydrophobicContact CD1-CB 4.08Å; Y35-Q392 HydrophobicContact CD1-CG 4.27Å; Y35-Q392 HydrophobicContact CE1-CB 4.37Å; Y35-Q392 HydrophobicContact CE1-CG 4.1Å; Y35-Q392 HydrophobicContact CG-CB 4.46Å; L36-Q392 PolarHBondContact N-O 3.33Å; M388-Q392 PolarHBondContact O-N 3.29Å; R389-Q392 WeakPolarHBondContact O-CA 3.17Å; R389-Q392 PolarHBondContact O-N 2.99Å; K390-Q392 VanDerWaalsContact C-N 3.29Å
393V96.6Very high95Very high0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-113.6113.6174.4-179.60000109L36 M388 R389 K391 I395 V421L36-V393 HydrophobicContact CB-CG2 4.48Å; M388-V393 CarbonylContact C-O 3.52Å; M388-V393 HydrophobicContact CB-CB 4.39Å; M388-V393 HydrophobicContact CE-CB 3.79Å; M388-V393 HydrophobicContact CE-CG1 3.6Å; M388-V393 HydrophobicContact CE-CG2 4.22Å; M388-V393 PolarHBondContact O-N 3.38Å; R389-V393 PolarHBondContact N-O 2.73Å; K391-V393 PolarHBondContact O-N 3.27Å; V393-I395 HydrophobicContact CG1-CG2 4.14Å; V393-I395 PolarHBondContact O-N 3.01Å; V393-V421 HydrophobicContact CG1-CG2 3.98Å
394C96.5Very high95.1Very high4 Ų435.2 Ų35.23%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-83.896.7-178.8-70.80000110.7Y12 L36 C38Y12-C394 VanDerWaalsContact OH-CA 3.24Å; Y12-C394 WeakPolarHBondContact OH-CA 3.5Å; L36-C394 WeakPolarHBondContact O-CB 3.42Å; L36-C394 PolarHBondContact O-N 2.91Å; C38-C394 VanDerWaalsContact CB-O 3.27Å; C38-C394 WeakPolarHBondContact CB-O 3.41Å; C38-C394 PolarHBondContact N-O 3.18Å
395I95.4Very high95.2Very high2 Ų235.1 Ų35.11%0.0119%0.186CC..  trans-112.7170.7167.260.9160000111.1Y12 C38 V385 M388 V393 L405 F407Y12-I395 PolarHBondContact OH-N 3.02Å; Y12-I395 PolarHBondContact OH-O 2.73Å; C38-I395 HydrophobicContact CB-CG2 3.8Å; V385-I395 WeakPolarHBondContact CG1-O 3.44Å; V385-I395 HydrophobicContact CG2-CD1 4.13Å; V385-I395 HydrophobicContact CG2-CG1 4.22Å; M388-I395 HydrophobicContact CB-CD1 3.82Å; M388-I395 HydrophobicContact CB-CG1 3.67Å; M388-I395 HydrophobicContact CG-CD1 3.58Å; M388-I395 HydrophobicContact CG-CG1 4.02Å; V393-I395 HydrophobicContact CG1-CG2 4.14Å; V393-I395 PolarHBondContact O-N 3.01Å; I395-L405 HydrophobicContact CD1-CD1 4.35Å; I395-L405 HydrophobicContact CD1-CD2 4.29Å; I395-F407 HydrophobicContact CG2-CD1 4.35Å; I395-F407 HydrophobicContact CG2-CE1 3.59Å; I395-F407 HydrophobicContact CG2-CZ 3.88Å
396S95.3Very high95.3Very high19 Ų1935.1 Ų35.113%0.13319%0.185CC..EExtended strand (participates in β ladder)trans-144.1163.5174179.50000109.1K406S396-K406 WeakPolarHBondContact O-CG 3.41Å; S396-K406 PolarHBondContact O-N 3.4Å; S396-K406 WeakPolarHBondContact OG-CE 3.32Å
397S95.6Very high95.4Very high32 Ų3233 Ų3322%0.22417%0.169CC..EExtended strand (participates in β ladder)trans-104.3162164.863.10000111.8G402 I404S397-G402 WeakPolarHBondContact CB-O 3.37Å; S397-G402 PolarHBondContact OG-O 3.21Å; S397-I404 CarbonylContact C-O 3.28Å; S397-I404 WeakPolarHBondContact CA-O 3.32Å; S397-I404 WeakPolarHBondContact CB-O 3.47Å
398E94.2Very high95.5Very high26 Ų2630.7 Ų30.712%0.12116%0.158CC..EExtended strand (participates in β ladder)trans-152.8-169.8179.9-158.3134.3-99.900109.6S213 G402 I404 K406 K408S213-E398 PolarHBondContact OG-OE2 2.83Å; E398-G402 CarbonylContact O-C 3.22Å; E398-G402 WeakPolarHBondContact O-CA 3.47Å; E398-I404 PolarHBondContact N-O 3.06Å; E398-I404 PolarHBondContact O-N 3.18Å; E398-K406 HydrophobicContact CB-CD 4.03Å; E398-K406 IonicContact OE1-NZ 3.72Å; E398-K406 PolarHBondContact OE1-NZ 2.91Å; E398-K406 WeakPolarHBondContact OE2-CD 3.34Å; E398-K406 IonicContact OE2-NZ 3.35Å; E398-K406 PolarHBondContact OE2-NZ 3.32Å; E398-K406 VanDerWaalsContact OE2-NZ 3.11Å; E398-K408 IonicContact OE2-NZ 2.71Å
399G94.8Very high95.7Very high10 Ų1030.7 Ų30.710%0.10316%0.158CC..SBendtrans87.8163.8-173.800000113.2C214 H401 G402C214-G399 VanDerWaalsContact O-CA 3.24Å; C214-G399 WeakPolarHBondContact O-CA 3.4Å; C214-G399 PolarHBondContact O-N 2.79Å; G399-H401 PolarHBondContact O-N 2.68Å; G399-H401 VanDerWaalsContact O-N 3.08Å; G399-G402 PolarHBondContact O-N 3.49Å
400P93.6Very high95.9Very high62 Ų6229.2 Ų29.240%0.40315%0.153SC..THydrogen-bonded Turntrans-60.3-22.9-176.124.2-35.3000113.7
401H95.7Very high96.2Very high90 Ų9023.5 Ų23.542%0.41713%0.128SC..THydrogen-bonded Turntrans-109.74.1177.9-47.5-63.5000113.4P376 T378 G399 N403P376-H401 HydrophobicContact CB-CB 3.55Å; P376-H401 HydrophobicContact CG-CB 3.72Å; T378-H401 WeakPolarHBondContact CB-O 3.12Å; T378-H401 WeakPolarHBondContact CG2-O 3.25Å; T378-H401 PolarHBondContact OG1-O 2.72Å; G399-H401 PolarHBondContact O-N 2.68Å; G399-H401 VanDerWaalsContact O-N 3.08Å; H401-N403 PolarHBondContact O-N 3.45Å; H401-N403 VanDerWaalsContact O-N 3.12Å
402G95.8Very high96.4Very high21 Ų2119.3 Ų19.322%0.21611%0.112CC..SBendtrans60.820.1-17900000115A381 S397 E398 G399A381-G402 WeakPolarHBondContact CB-O 3.49Å; S397-G402 WeakPolarHBondContact CB-O 3.37Å; S397-G402 PolarHBondContact OG-O 3.21Å; E398-G402 CarbonylContact O-C 3.22Å; E398-G402 WeakPolarHBondContact O-CA 3.47Å; G399-G402 PolarHBondContact O-N 3.49Å
403N98Very high96.5Very high0 Ų016.4 Ų16.40%010%0.098CC..  trans-99.2-3.4-174.471.2-61000113.8R162 D366 L367 P376 H401R162-N403 PolarHBondContact NH2-ND2 3.27Å; R162-N403 VanDerWaalsContact NH2-ND2 3.19Å; D366-N403 PolarHBondContact OD1-ND2 2.89Å; L367-N403 WeakPolarHBondContact CB-O 3.42Å; L367-N403 PolarHBondContact N-O 2.85Å; L367-N403 PolarHBondContact O-ND2 3.39Å; P376-N403 HydrophobicContact CB-CB 3.76Å; P376-N403 VanDerWaalsContact CB-CG 3.48Å; H401-N403 PolarHBondContact O-N 3.45Å; H401-N403 VanDerWaalsContact O-N 3.12Å
404I98.1Very high96.6Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-101.4115.7-175.1-61.5162.1000108.7G216 I365 D366 S397 E398 K406G216-I404 VanDerWaalsContact CA-CD1 3.48Å; I365-I404 CarbonylContact O-C 3.58Å; I365-I404 VanDerWaalsContact O-CA 3.27Å; I365-I404 WeakPolarHBondContact O-CA 3.35Å; D366-I404 HydrophobicContact CB-CG1 4.24Å; S397-I404 CarbonylContact C-O 3.28Å; S397-I404 WeakPolarHBondContact CA-O 3.32Å; S397-I404 WeakPolarHBondContact CB-O 3.47Å; E398-I404 PolarHBondContact N-O 3.06Å; E398-I404 PolarHBondContact O-N 3.18Å; I404-K406 PolarHBondContact O-N 3.31Å
405L97.6Very high96.7Very high13 Ų1323.5 Ų23.57%0.06813%0.133CC..EExtended strand (participates in β ladder)trans-72127.2173.2-54.7-178.4000109G364 I365 L367 A381 L384 V385 I395 F407G364-L405 CarbonylContact C-O 3.42Å; G364-L405 WeakPolarHBondContact CA-O 3.41Å; I365-L405 HydrophobicContact CB-CB 4.19Å; I365-L405 HydrophobicContact CD1-CD1 4.47Å; I365-L405 PolarHBondContact N-O 3.21Å; I365-L405 PolarHBondContact O-N 3.19Å; L367-L405 HydrophobicContact CD1-CD1 4.07Å; L367-L405 HydrophobicContact CD1-CD2 4.28Å; L367-L405 HydrophobicContact CD1-CG 3.91Å; L367-L405 HydrophobicContact CG-CG 4.5Å; A381-L405 HydrophobicContact CB-CD2 4.1Å; L384-L405 HydrophobicContact CB-CD1 4.44Å; L384-L405 HydrophobicContact CD1-CD1 4.04Å; V385-L405 HydrophobicContact CG2-CD2 3.97Å; I395-L405 HydrophobicContact CD1-CD1 4.35Å; I395-L405 HydrophobicContact CD1-CD2 4.29Å; L405-F407 HydrophobicContact CB-CE2 4.11Å
406K96.1Very high96.8Very high20 Ų2026.7 Ų26.79%0.08716%0.16CC..EExtended strand (participates in β ladder)trans-103.5142.8-179.364.8174.2167.8-170.30112.3I39 Q217 S396 E398 I404I39-K406 HydrophobicContact CG2-CG 4.43Å; Q217-K406 HydrophobicContact CG-CB 4.16Å; S396-K406 WeakPolarHBondContact O-CG 3.41Å; S396-K406 PolarHBondContact O-N 3.4Å; S396-K406 WeakPolarHBondContact OG-CE 3.32Å; E398-K406 HydrophobicContact CB-CD 4.03Å; E398-K406 IonicContact OE1-NZ 3.72Å; E398-K406 PolarHBondContact OE1-NZ 2.91Å; E398-K406 WeakPolarHBondContact OE2-CD 3.34Å; E398-K406 IonicContact OE2-NZ 3.35Å; E398-K406 PolarHBondContact OE2-NZ 3.32Å; E398-K406 VanDerWaalsContact OE2-NZ 3.11Å; I404-K406 PolarHBondContact O-N 3.31Å
407F95.2Very high96.9Very high11 Ų1125.9 Ų25.95%0.04815%0.154CC..EExtended strand (participates in β ladder)trans-130.9111176.3-69.6-90.6000109.6C38 F362 A363 I365 I395 L405 V421C38-F407 HydrophobicContact CB-CD1 3.98Å; C38-F407 HydrophobicContact CB-CE1 4.27Å; C38-F407 CarbonylContact O-C 3.53Å; C38-F407 WeakPolarHBondContact O-CA 3.03Å; F362-F407 WeakPolarHBondContact CA-O 3.28Å; A363-F407 HydrophobicContact CB-CB 4.14Å; A363-F407 PolarHBondContact N-O 3.42Å; A363-F407 PolarHBondContact O-N 2.99Å; I365-F407 HydrophobicContact CD1-CD2 4.33Å; I365-F407 HydrophobicContact CD1-CE2 3.53Å; I365-F407 HydrophobicContact CD1-CZ 4.26Å; I365-F407 HydrophobicContact CG1-CD2 4.44Å; I365-F407 HydrophobicContact CG1-CE2 4.06Å; I395-F407 HydrophobicContact CG2-CD1 4.35Å; I395-F407 HydrophobicContact CG2-CE1 3.59Å; I395-F407 HydrophobicContact CG2-CZ 3.88Å; L405-F407 HydrophobicContact CB-CE2 4.11Å; F407-V421 HydrophobicContact CE1-CG1 3.6Å; F407-V421 HydrophobicContact CZ-CG1 4.04Å
408K96.7Very high97Very high5 Ų524.4 Ų24.42%0.02214%0.143CC..  trans-142.160.8177.3-66.1179.7-77.9179.30109.4C38 I39 S40 N41 S213 Q245 F362 E398C38-K408 CarbonylContact O-C 3.57Å; C38-K408 PolarHBondContact O-N 3.22Å; I39-K408 CarbonylContact C-O 2.89Å; I39-K408 VanDerWaalsContact C-O 3.22Å; S40-K408 CarbonylContact C-O 3.47Å; S40-K408 PolarHBondContact N-O 3.43Å; N41-K408 HydrophobicContact CB-CB 4.21Å; N41-K408 PolarHBondContact N-O 3.41Å; S213-K408 PolarHBondContact OG-NZ 3.36Å; Q245-K408 VanDerWaalsContact OE1-NZ 3.13Å; F362-K408 HydrophobicContact CD2-CD 3.68Å; F362-K408 HydrophobicContact CD2-CG 3.89Å; F362-K408 HydrophobicContact CE2-CD 3.77Å; F362-K408 HydrophobicContact CE2-CG 4.43Å; F362-K408 HydrophobicContact CG-CG 4.38Å; E398-K408 IonicContact OE2-NZ 2.71Å
409P97.8Very high97.2Very high3 Ų324.9 Ų24.92%0.01915%0.147CC..  trans-68.1170.6-175.928.8-36.1000112.3S40 R250 L361 F413S40-P409 CarbonylContact O-C 3.42Å; R250-P409 PolarHBondContact NH1-O 2.89Å; R250-P409 PolarHBondContact NH2-O 3.47Å; L361-P409 HydrophobicContact CB-CG 4.32Å; L361-P409 HydrophobicContact CD2-CG 4.14Å; P409-F413 HydrophobicContact CB-CB 4.01Å; P409-F413 HydrophobicContact CB-CD1 4.41Å; P409-F413 HydrophobicContact CB-CD2 3.27Å; P409-F413 HydrophobicContact CB-CE2 3.64Å; P409-F413 HydrophobicContact CB-CG 3.68Å; P409-F413 HydrophobicContact CB-CZ 4.36Å; P409-F413 HydrophobicContact CG-CB 3.94Å; P409-F413 HydrophobicContact CG-CD1 4.12Å; P409-F413 HydrophobicContact CG-CD2 3.88Å; P409-F413 HydrophobicContact CG-CE2 4.3Å; P409-F413 HydrophobicContact CG-CG 3.75Å
410P98.3Very high97.2Very high0 Ų027.1 Ų27.10%016%0.155CC..  trans-53.5150.6163.3-31.140.9000113.3Q25 D37 Q43 C412 F413Q25-P410 HydrophobicContact CB-CB 4.43Å; Q25-P410 HydrophobicContact CB-CG 4.34Å; D37-P410 WeakPolarHBondContact O-CD 3.4Å; Q43-P410 VanDerWaalsContact O-CB 3.31Å; Q43-P410 WeakPolarHBondContact O-CB 3.42Å; Q43-P410 WeakPolarHBondContact O-CG 3.25Å; P410-C412 PolarHBondContact O-N 3.41Å; P410-C412 VanDerWaalsContact O-N 3.16Å; P410-F413 WeakPolarHBondContact O-CB 3.45Å; P410-F413 PolarHBondContact O-N 3Å
411M98.3Very high97.3Very high0 Ų024.3 Ų24.30%014%0.137CC..THydrogen-bonded Turntrans-68-14.7-175.4-64.9-73.4-80.500114H44 G249 R250 L327 N330 A331 L361 F413H44-M411 WeakPolarHBondContact CE1-CG 3.4Å; H44-M411 PolarHBondContact CE1-SD 3.27Å; H44-M411 WeakPolarHBondContact ND1-CG 3.04Å; H44-M411 WeakPolarHBondContact NE2-CG 3.28Å; H44-M411 WeakPolarHBondContact O-CA 3.49Å; H44-M411 WeakPolarHBondContact O-CB 3.39Å; H44-M411 WeakPolarHBondContact O-CG 3.49Å; H44-M411 PolarHBondContact O-N 2.86Å; G249-M411 VanDerWaalsContact C-CE 3.48Å; G249-M411 WeakPolarHBondContact O-CE 3.15Å; R250-M411 HydrophobicContact CB-SD 4.49Å; L327-M411 HydrophobicContact CB-CB 3.97Å; L327-M411 HydrophobicContact CD1-CB 4.3Å; L327-M411 WeakPolarHBondContact O-CE 3.31Å; N330-M411 PolarHBondContact ND2-O 2.91Å; A331-M411 HydrophobicContact CB-CE 3.35Å; A331-M411 HydrophobicContact CB-SD 3.74Å; L361-M411 HydrophobicContact CD1-SD 4.18Å; M411-F413 PolarHBondContact O-N 3.44Å
412C98.1Very high97.1Very high21 Ų2120.8 Ų20.814%0.14212%0.121CC..THydrogen-bonded Turntrans-82.16.6172.866.40000113.4Q25 L327 P410Q25-C412 PolarHBondContact OE1-SG 3.38Å; Q25-C412 VanDerWaalsContact OE1-SG 3.33Å; L327-C412 HydrophobicContact CD2-CB 4.32Å; P410-C412 PolarHBondContact O-N 3.41Å; P410-C412 VanDerWaalsContact O-N 3.16Å
413F98.4Very high96.6Very high5 Ų526 Ų262%0.02214%0.139CC..  trans-57.1141.4175.9-149.2-106.6000111Q25 L36 N330 V334 L361 P409 P410 M411 N417 V418 V421Q25-F413 HydrophobicContact CB-CD2 4.04Å; Q25-F413 HydrophobicContact CG-CD2 4.18Å; L36-F413 HydrophobicContact CD1-CD2 4.4Å; L36-F413 HydrophobicContact CD1-CE2 3.65Å; L36-F413 HydrophobicContact CD1-CZ 4.29Å; L36-F413 HydrophobicContact CD2-CE2 4.12Å; L36-F413 HydrophobicContact CD2-CZ 3.95Å; L36-F413 HydrophobicContact CG-CE2 3.94Å; L36-F413 HydrophobicContact CG-CZ 4.29Å; N330-F413 PolarHBondContact ND2-O 3.28Å; V334-F413 HydrophobicContact CG1-CD1 4.39Å; L361-F413 HydrophobicContact CD1-CB 4.24Å; L361-F413 HydrophobicContact CD2-CB 4.44Å; P409-F413 HydrophobicContact CB-CB 4.01Å; P409-F413 HydrophobicContact CB-CD1 4.41Å; P409-F413 HydrophobicContact CB-CD2 3.27Å; P409-F413 HydrophobicContact CB-CE2 3.64Å; P409-F413 HydrophobicContact CB-CG 3.68Å; P409-F413 HydrophobicContact CB-CZ 4.36Å; P409-F413 HydrophobicContact CG-CB 3.94Å; P409-F413 HydrophobicContact CG-CD1 4.12Å; P409-F413 HydrophobicContact CG-CD2 3.88Å; P409-F413 HydrophobicContact CG-CE2 4.3Å; P409-F413 HydrophobicContact CG-CG 3.75Å; P410-F413 WeakPolarHBondContact O-CB 3.45Å; P410-F413 PolarHBondContact O-N 3Å; M411-F413 PolarHBondContact O-N 3.44Å; F413-N417 HydrophobicContact CD1-CB 3.71Å; F413-N417 HydrophobicContact CD2-CB 3.96Å; F413-N417 HydrophobicContact CE1-CB 3.4Å; F413-N417 HydrophobicContact CE2-CB 3.69Å; F413-N417 HydrophobicContact CG-CB 3.99Å; F413-N417 HydrophobicContact CZ-CB 3.4Å; F413-N417 VanDerWaalsContact CZ-CB 3.4Å; F413-V418 HydrophobicContact CD1-CG2 4Å; F413-V418 HydrophobicContact CE1-CG2 3.85Å; F413-V421 HydrophobicContact CZ-CG2 4.08Å
414T98.6Very high95.6Very high52 Ų5226.9 Ų26.932%0.31915%0.145SC..  trans-113.3165.6-175.270.80000112.1A416 N417 V418T414-A416 PolarHBondContact O-N 3.19Å; T414-A416 PolarHBondContact OG1-N 3.31Å; T414-N417 PolarHBondContact N-OD1 3.49Å; T414-N417 WeakPolarHBondContact O-CB 3.28Å; T414-N417 PolarHBondContact O-N 3.05Å; T414-N417 VanDerWaalsContact OG1-CG 3.29Å; T414-N417 PolarHBondContact OG1-N 2.82Å; T414-N417 PolarHBondContact OG1-OD1 2.9Å; T414-V418 PolarHBondContact O-N 3.09Å; T414-V418 VanDerWaalsContact O-N 3.08Å
415K98.5Very high93.5Very high102 Ų10234.3 Ų34.344%0.44318%0.177SC..Hα-helixtrans-58.1-37.3171-64.2-177.7-177.9167.90112.2V334 Y337 N417 V418 D419V334-K415 HydrophobicContact CG2-CG 4.28Å; Y337-K415 HydrophobicContact CD1-CB 3.68Å; Y337-K415 HydrophobicContact CD1-CD 4.22Å; Y337-K415 HydrophobicContact CD1-CG 3.63Å; Y337-K415 HydrophobicContact CD2-CD 4.34Å; Y337-K415 HydrophobicContact CE1-CB 3.72Å; Y337-K415 HydrophobicContact CE1-CG 4.15Å; Y337-K415 HydrophobicContact CG-CB 4.37Å; Y337-K415 HydrophobicContact CG-CD 4.06Å; Y337-K415 HydrophobicContact CG-CG 3.88Å; K415-N417 VanDerWaalsContact C-N 3.26Å; K415-N417 PolarHBondContact O-N 3.16Å; K415-V418 WeakPolarHBondContact O-CB 3.33Å; K415-V418 PolarHBondContact O-N 3.15Å; K415-V418 VanDerWaalsContact O-N 3.15Å; K415-D419 PolarHBondContact O-N 3.08Å
416A98.3Very high91.3Very high69 Ų6934.9 Ų34.957%0.5718%0.182SC*.Hα-helixtrans-62.4-34.6175.100000112.1T414 D419 E420T414-A416 PolarHBondContact O-N 3.19Å; T414-A416 PolarHBondContact OG1-N 3.31Å; A416-D419 PolarHBondContact O-N 3.06Å; A416-E420 WeakPolarHBondContact O-CB 3.12Å; A416-E420 PolarHBondContact O-N 2.91Å
417N98Very high89.1Confident2 Ų235 Ų351%0.01119%0.185CC..Hα-helixtrans-71.2-37.4174-57.9125.2000112.4Q25 Y26 L36 F413 T414 K415 D419 E420 V421Q25-N417 PolarHBondContact NE2-OD1 3Å; Y26-N417 PolarHBondContact OH-ND2 3.08Å; L36-N417 HydrophobicContact CD1-CB 4.1Å; L36-N417 HydrophobicContact CD2-CB 4.17Å; F413-N417 HydrophobicContact CD1-CB 3.71Å; F413-N417 HydrophobicContact CD2-CB 3.96Å; F413-N417 HydrophobicContact CE1-CB 3.4Å; F413-N417 HydrophobicContact CE2-CB 3.69Å; F413-N417 HydrophobicContact CG-CB 3.99Å; F413-N417 HydrophobicContact CZ-CB 3.4Å; F413-N417 VanDerWaalsContact CZ-CB 3.4Å; T414-N417 PolarHBondContact N-OD1 3.49Å; T414-N417 WeakPolarHBondContact O-CB 3.28Å; T414-N417 PolarHBondContact O-N 3.05Å; T414-N417 VanDerWaalsContact OG1-CG 3.29Å; T414-N417 PolarHBondContact OG1-N 2.82Å; T414-N417 PolarHBondContact OG1-OD1 2.9Å; K415-N417 VanDerWaalsContact C-N 3.26Å; K415-N417 PolarHBondContact O-N 3.16Å; N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact O-N 3.47Å; N417-E420 WeakPolarHBondContact O-CB 3.32Å; N417-E420 PolarHBondContact O-N 3.08Å; N417-V421 WeakPolarHBondContact O-CG2 3.24Å; N417-V421 PolarHBondContact O-N 2.98Å
418V97.9Very high87Confident0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-56.9-46.3170.9173.90000109.6V334 Y337 L338 R341 F413 T414 K415 V421 L422V334-V418 HydrophobicContact CG1-CG2 3.83Å; Y337-V418 HydrophobicContact CD1-CB 3.91Å; Y337-V418 HydrophobicContact CD1-CG1 3.85Å; Y337-V418 HydrophobicContact CD1-CG2 4.22Å; Y337-V418 HydrophobicContact CE1-CB 4Å; Y337-V418 HydrophobicContact CE1-CG1 3.92Å; L338-V418 HydrophobicContact CB-CG1 4.41Å; L338-V418 HydrophobicContact CB-CG2 4.13Å; L338-V418 HydrophobicContact CD1-CG1 3.92Å; L338-V418 HydrophobicContact CD1-CG2 4.22Å; R341-V418 HydrophobicContact CB-CG1 3.96Å; R341-V418 HydrophobicContact CG-CG1 3.91Å; F413-V418 HydrophobicContact CD1-CG2 4Å; F413-V418 HydrophobicContact CE1-CG2 3.85Å; T414-V418 PolarHBondContact O-N 3.09Å; T414-V418 VanDerWaalsContact O-N 3.08Å; K415-V418 WeakPolarHBondContact O-CB 3.33Å; K415-V418 PolarHBondContact O-N 3.15Å; K415-V418 VanDerWaalsContact O-N 3.15Å; V418-V421 PolarHBondContact O-N 3.48Å; V418-L422 HydrophobicContact CG1-CD1 3.96Å; V418-L422 WeakPolarHBondContact O-CD1 3.37Å; V418-L422 PolarHBondContact O-N 3.22Å; V418-L422 VanDerWaalsContact O-N 3.14Å
419D96.9Very high85Confident36 Ų3640.9 Ų40.919%0.19321%0.214CC..Hα-helixtrans-65.2-42.1176.9-70.3-41.9000111.9Y337 R341 K415 A416 N417 V421 L422 H423Y337-D419 VanDerWaalsContact OH-CG 3.23Å; Y337-D419 PolarHBondContact OH-OD1 3.39Å; Y337-D419 PolarHBondContact OH-OD2 2.69Å; R341-D419 IonicContact NE-OD1 2.73Å; R341-D419 PolarHBondContact NE-OD1 3.27Å; R341-D419 IonicContact NH2-OD1 3.82Å; K415-D419 PolarHBondContact O-N 3.08Å; A416-D419 PolarHBondContact O-N 3.06Å; N417-D419 VanDerWaalsContact C-N 3.26Å; N417-D419 PolarHBondContact O-N 3.47Å; D419-V421 VanDerWaalsContact C-N 3.28Å; D419-V421 PolarHBondContact O-N 3.38Å; D419-L422 PolarHBondContact O-N 3.11Å; D419-L422 VanDerWaalsContact O-N 3.08Å; D419-H423 WeakPolarHBondContact O-CB 3.35Å; D419-H423 PolarHBondContact O-N 3.36Å; D419-H423 PolarHBondContact O-ND1 3.13Å
420E95.5Very high82.4Confident57 Ų5746.7 Ų46.727%0.26625%0.249SC..Hα-helixtrans-53.4-44.2174.5-176175.5178.100112.2R34 L36 A416 N417 C424R34-E420 IonicContact CZ-OE1 2.88Å; R34-E420 IonicContact NH2-OE1 3.41Å; R34-E420 PolarHBondContact NH2-OE1 3.25Å; R34-E420 IonicContact NH2-OE2 2.86Å; L36-E420 HydrophobicContact CD2-CB 4.29Å; L36-E420 HydrophobicContact CD2-CG 4.17Å; A416-E420 WeakPolarHBondContact O-CB 3.12Å; A416-E420 PolarHBondContact O-N 2.91Å; N417-E420 WeakPolarHBondContact O-CB 3.32Å; N417-E420 PolarHBondContact O-N 3.08Å; E420-C424 PolarHBondContact O-N 2.83Å; E420-C424 PolarHBondContact O-SG 3.4Å
421V95.1Very high79.7Confident4 Ų450.9 Ų50.92%0.02428%0.278CS..Hα-helixtrans-60.2-49.2175172.60000111L36 C38 M388 V393 F407 F413 N417 V418 D419L36-V421 HydrophobicContact CD2-CG2 3.77Å; C38-V421 VanDerWaalsContact SG-CG2 3.54Å; M388-V421 HydrophobicContact CE-CG1 4.02Å; M388-V421 WeakPolarHBondContact CE-O 3.37Å; V393-V421 HydrophobicContact CG1-CG2 3.98Å; F407-V421 HydrophobicContact CE1-CG1 3.6Å; F407-V421 HydrophobicContact CZ-CG1 4.04Å; F413-V421 HydrophobicContact CZ-CG2 4.08Å; N417-V421 WeakPolarHBondContact O-CG2 3.24Å; N417-V421 PolarHBondContact O-N 2.98Å; V418-V421 PolarHBondContact O-N 3.48Å; D419-V421 VanDerWaalsContact C-N 3.28Å; D419-V421 PolarHBondContact O-N 3.38Å
422L91.1Very high76.6Confident16 Ų1662.2 Ų62.28%0.08433%0.331CS..Hα-helixtrans-76.6-21.9-175.2-8485.4000114.2R341 L342 W344 L345 V418 D419R341-L422 HydrophobicContact CB-CD1 4.3Å; R341-L422 HydrophobicContact CB-CD2 3.69Å; R341-L422 WeakPolarHBondContact O-CD2 3.45Å; L342-L422 HydrophobicContact CD2-CD1 4.33Å; W344-L422 HydrophobicContact CE3-CD2 4.41Å; W344-L422 HydrophobicContact CZ3-CD2 4.46Å; L345-L422 HydrophobicContact CB-CD2 4.4Å; V418-L422 HydrophobicContact CG1-CD1 3.96Å; V418-L422 WeakPolarHBondContact O-CD1 3.37Å; V418-L422 PolarHBondContact O-N 3.22Å; V418-L422 VanDerWaalsContact O-N 3.14Å; D419-L422 PolarHBondContact O-N 3.11Å; D419-L422 VanDerWaalsContact O-N 3.08Å
423H85.5Confident75.6Confident131 Ų13164.3 Ų64.361%0.60634%0.341SS*.Hα-helixtrans-81.7-15.1178-76.486.4000113.4D419 K425D419-H423 WeakPolarHBondContact O-CB 3.35Å; D419-H423 PolarHBondContact O-N 3.36Å; D419-H423 PolarHBondContact O-ND1 3.13Å; H423-K425 PolarHBondContact O-N 3.37Å
424C76.7Confident74.4Confident18 Ų1867.4 Ų67.412%0.12236%0.358CS..SBendtrans-56.3108.2168.9-74.30000107.9M388 K391 E420 C426 C427M388-C424 HydrophobicContact CE-CB 3.92Å; M388-C424 HydrophobicContact SD-CB 3.63Å; K391-C424 HydrophobicContact CB-CB 4.42Å; K391-C424 HydrophobicContact CG-CB 4.47Å; E420-C424 PolarHBondContact O-N 2.83Å; E420-C424 PolarHBondContact O-SG 3.4Å; C424-C426 PolarHBondContact O-N 3.48Å; C424-C427 WeakPolarHBondContact O-CB 3.43Å; C424-C427 PolarHBondContact O-N 2.94Å
425K55.3Low73Confident156 Ų15668.3 Ų68.368%0.67836%0.36SS*.G310 helixtrans-52.9-14.4-175-72.7-175.5177.6-177.70114.1H423 C427 Q428H423-K425 PolarHBondContact O-N 3.37Å; K425-C427 PolarHBondContact O-N 2.79Å; K425-Q428 WeakPolarHBondContact O-CA 3.46Å; K425-Q428 WeakPolarHBondContact O-CB 3.23Å; K425-Q428 WeakPolarHBondContact O-CG 3.34Å; K425-Q428 PolarHBondContact O-N 2.6Å
426C51.4Low71.5Confident25 Ų2566.3 Ų66.317%0.16936%0.355CS..G310 helixtrans-64-23.3169.8-53.30000113.7L384 E387 M388 C424 Q428L384-C426 WeakPolarHBondContact CD2-O 3.33Å; E387-C426 HydrophobicContact CB-CB 3.97Å; M388-C426 HydrophobicContact SD-CB 4.3Å; C424-C426 PolarHBondContact O-N 3.48Å; C426-Q428 PolarHBondContact O-N 2.93Å
427C49.1Very low69.8Low22 Ų2266.1 Ų66.115%0.14934%0.341CS..G310 helixtrans-72.1-11.6167.4-72.20000112.9L345 H349 C424 K425 L429L345-C427 HydrophobicContact CD1-CB 4.31Å; L345-C427 HydrophobicContact CD2-CB 4.46Å; H349-C427 PolarHBondContact NE2-O 3.2Å; H349-C427 VanDerWaalsContact NE2-O 3.17Å; C424-C427 WeakPolarHBondContact O-CB 3.43Å; C424-C427 PolarHBondContact O-N 2.94Å; K425-C427 PolarHBondContact O-N 2.79Å; C427-L429 PolarHBondContact O-N 2.96Å
428Q50.7Low68Low118 Ų11870.4 Ų70.455%0.55136%0.364SS*.SBendtrans-76.279.8164.9-54.8180-2200106.8K425 C426 T430K425-Q428 WeakPolarHBondContact O-CA 3.46Å; K425-Q428 WeakPolarHBondContact O-CB 3.23Å; K425-Q428 WeakPolarHBondContact O-CG 3.34Å; K425-Q428 PolarHBondContact O-N 2.6Å; C426-Q428 PolarHBondContact O-N 2.93Å; Q428-T430 PolarHBondContact O-N 2.62Å
429L54.8Low65.8Low22 Ų2275.4 Ų75.412%0.11539%0.389CS..  trans-63.684.5175.5-57.4159000107.4H349 V352 I353 L380 L384 C427 S431H349-L429 HydrophobicContact CB-CB 4.26Å; H349-L429 HydrophobicContact CB-CD1 3.77Å; H349-L429 PolarHBondContact CE1-N 2.79Å; H349-L429 PolarHBondContact ND1-O 3.48Å; H349-L429 VanDerWaalsContact ND1-O 3.08Å; V352-L429 HydrophobicContact CG2-CB 3.92Å; V352-L429 HydrophobicContact CG2-CD1 3.59Å; V352-L429 HydrophobicContact CG2-CG 4.26Å; I353-L429 HydrophobicContact CD1-CD1 3.87Å; I353-L429 HydrophobicContact CG1-CD1 3.9Å; L380-L429 HydrophobicContact CD1-CD2 4.27Å; L380-L429 HydrophobicContact CD2-CD2 4.46Å; L384-L429 HydrophobicContact CD1-CD2 3.54Å; L384-L429 HydrophobicContact CD2-CD2 3.56Å; L384-L429 HydrophobicContact CG-CD2 4.07Å; C427-L429 PolarHBondContact O-N 2.96Å; L429-S431 PolarHBondContact O-N 3.15Å
430T43.5Very low63.4Low124 Ų12478.5 Ų78.576%0.76141%0.405SS*.  trans-71.2112.2169.152.50000106.2Q428 E432Q428-T430 PolarHBondContact O-N 2.62Å; T430-E432 PolarHBondContact O-N 2.88Å
431S42.3Very low60.8Low89 Ų8980.3 Ų80.362%0.62242%0.416SS*.  trans-54.9121.1155.548.60000106.6L429L429-S431 PolarHBondContact O-N 3.15Å
432E33.6Very low57.6Low238 Ų23887.2 Ų87.2100%1.11245%0.452SS*.  trans-47.60150.4-69.2171.8-172.400109T430T430-E432 PolarHBondContact O-N 2.88Å

Retrieved 432 of 432 residues in 801.6 ms (Link to these results)

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