A0A087YE70_POEFO Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A087YE70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1F30.6Very low54.9Low263 Ų263132.5 Ų132.5100%1.15467%0.669SS**  085.20-76.7-91.8000108.3
2L32.1Very low58.2Low176 Ų176136.3 Ų136.392%0.92167%0.67SS**  trans-78.2125.3173.1-97.2140000107.5M4L2-M4 PolarHBondContact O-N 2.94Å; L2-M4 VanDerWaalsContact O-N 3.12Å
3I31.6Very low61Low159 Ų159131.1 Ų131.182%0.81564%0.643SS**  trans-59111.7178.8-64.7167.5000107.5E5I3-E5 PolarHBondContact O-N 3.36Å; I3-E5 VanDerWaalsContact O-N 3.17Å
4M35.5Very low63.5Low147 Ų147131.5 Ų131.572%0.72464%0.643SS**  trans-63.1111.6162.1-69.2-177.674.400106.1L2 A6L2-M4 PolarHBondContact O-N 2.94Å; L2-M4 VanDerWaalsContact O-N 3.12Å; M4-A6 PolarHBondContact O-N 2.63Å
5E37.9Very low65.4Low176 Ų176123.8 Ų123.882%0.82261%0.605SS**  trans-49.3129.5160.9-81-171.8142.600107.3I3 R7I3-E5 PolarHBondContact O-N 3.36Å; I3-E5 VanDerWaalsContact O-N 3.17Å; E5-R7 PolarHBondContact O-N 3.17Å
6A42.5Very low67Low97 Ų97123.3 Ų123.380%0.80261%0.606SS**  trans-48.1118.5177.700000108.5M4 G8M4-A6 PolarHBondContact O-N 2.63Å; A6-G8 PolarHBondContact O-N 2.87Å
7R56.8Low68.2Low120 Ų120122.4 Ų122.445%0.45362%0.615SS.*  trans-52.2111.1177.2-80.4-178.8172162.5-6.3107.1E5 C96 Y344E5-R7 PolarHBondContact O-N 3.17Å; R7-C96 VanDerWaalsContact NH1-C 3.31Å; R7-C96 PolarHBondContact NH1-O 2.69Å; R7-C96 PolarHBondContact NH2-O 3.19Å; R7-Y344 PolarHBondContact NH2-OH 2.98Å
8G61.7Low69.5Low45 Ų45117.2 Ų117.246%0.46459%0.59SS.*PPolyproline II helixtrans-56.6149.4-174.100000110.8A6 F10A6-G8 PolarHBondContact O-N 2.87Å; G8-F10 WeakPolarHBondContact O-CD2 3.29Å; G8-F10 WeakPolarHBondContact O-CE2 3.45Å; G8-F10 PolarHBondContact O-N 3.03Å
9H86.1Confident70.7Confident144 Ų144113.1 Ų113.167%0.66757%0.572SS**PPolyproline II helixtrans-59.3135173.9-64.2-71.6000109.8E24H9-E24 VanDerWaalsContact CB-CD 3.42Å; H9-E24 HydrophobicContact CB-CG 4.14Å; H9-E24 VanDerWaalsContact CB-OE1 3.28Å; H9-E24 WeakPolarHBondContact CB-OE1 3.34Å; H9-E24 WeakPolarHBondContact O-CG 3.18Å; H9-E24 PolarHBondContact O-N 3Å
10F94.3Very high72Confident68 Ų68107.4 Ų107.430%0.29854%0.543SS..EExtended strand (participates in β ladder)trans-103.2142.3174.5-74.5-106.5000108.5G8 V22 P23 F92 T93 P94G8-F10 WeakPolarHBondContact O-CD2 3.29Å; G8-F10 WeakPolarHBondContact O-CE2 3.45Å; G8-F10 PolarHBondContact O-N 3.03Å; F10-V22 WeakPolarHBondContact CA-O 3.45Å; F10-V22 VanDerWaalsContact CD1-C 3.48Å; F10-P23 HydrophobicContact CD1-CG 4.31Å; F10-P23 HydrophobicContact CE1-CG 3.81Å; F10-P23 HydrophobicContact CZ-CG 4.01Å; F10-F92 AromaticContact CE1-CD2 3.75Å; F10-F92 HydrophobicContact CE1-CD2 3.75Å; F10-F92 HydrophobicContact CE1-CE2 4.24Å; F10-F92 HydrophobicContact CZ-CD2 4.38Å; F10-T93 WeakPolarHBondContact CZ-O 3.42Å; F10-P94 HydrophobicContact CD1-CB 4.05Å; F10-P94 HydrophobicContact CE1-CB 4.15Å; F10-P94 HydrophobicContact CG-CB 4.46Å
11Y94.9Very high73.1Confident62 Ų62105.5 Ų105.524%0.24353%0.532CS..EExtended strand (participates in β ladder)trans-115158.1168.377.4-86.6000110.1E13 E21 V22 E24 Y26 L29Y11-E13 HydrophobicContact CD2-CB 4.34Å; Y11-E13 HydrophobicContact CE2-CB 3.88Å; Y11-E13 WeakPolarHBondContact CE2-OE2 3.05Å; Y11-E13 PolarHBondContact OH-OE2 3.25Å; Y11-E21 WeakPolarHBondContact O-CA 3.46Å; Y11-V22 HydrophobicContact CD1-CG2 4.05Å; Y11-V22 WeakPolarHBondContact CD1-O 3.36Å; Y11-V22 HydrophobicContact CE1-CG2 3.36Å; Y11-V22 HydrophobicContact CE2-CG2 4.2Å; Y11-V22 VanDerWaalsContact CZ-CG2 3.44Å; Y11-V22 PolarHBondContact N-O 3.46Å; Y11-V22 PolarHBondContact O-N 3.27Å; Y11-V22 VanDerWaalsContact O-N 3.1Å; Y11-E24 HydrophobicContact CD1-CG 4.3Å; Y11-Y26 VanDerWaalsContact CE1-O 3.32Å; Y11-Y26 WeakPolarHBondContact CE1-O 3.23Å; Y11-Y26 PolarHBondContact OH-O 2.7Å; Y11-L29 WeakPolarHBondContact OH-CD1 3.49Å
12R94.7Very high76.2Confident179 Ų17993 Ų9368%0.67548%0.477SS*.EExtended strand (participates in β ladder)trans-111.6130.8-177.1-173174.7170.7167.33.7110.6V19 W20 E21R12-V19 HydrophobicContact CG-CG1 3.67Å; R12-W20 CarbonylContact C-O 3.58Å; R12-W20 VanDerWaalsContact CA-O 3.27Å; R12-W20 WeakPolarHBondContact CA-O 3.36Å; R12-E21 HydrophobicContact CB-CG 4.31Å; R12-E21 HydrophobicContact CG-CG 4.1Å
13E94.7Very high79.3Confident68 Ų6885.2 Ų85.232%0.31844%0.437SS..EExtended strand (participates in β ladder)trans-139.3135.8179.3-172.5178.1176.800109.8Y11 I15 W20Y11-E13 HydrophobicContact CD2-CB 4.34Å; Y11-E13 HydrophobicContact CE2-CB 3.88Å; Y11-E13 WeakPolarHBondContact CE2-OE2 3.05Å; Y11-E13 PolarHBondContact OH-OE2 3.25Å; E13-I15 HydrophobicContact CG-CD1 4.27Å; E13-I15 HydrophobicContact CG-CG1 3.95Å; E13-W20 PolarHBondContact N-O 3.43Å; E13-W20 PolarHBondContact O-N 3.23Å
14E95.2Very high82.3Confident137 Ų13782.9 Ų82.964%0.6442%0.423SS*.EExtended strand (participates in β ladder)trans-96.4121.8174.3-171.2177.7161.500110S17E14-S17 WeakPolarHBondContact OE1-CA 3.44Å
15I93.2Very high85.2Confident16 Ų1678.7 Ų78.78%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-128115.2-177.4-54.7177.2000107.7E13 S17 T18 W20 L29 Q31E13-I15 HydrophobicContact CG-CD1 4.27Å; E13-I15 HydrophobicContact CG-CG1 3.95Å; I15-S17 VanDerWaalsContact C-N 3.32Å; I15-S17 PolarHBondContact O-N 2.88Å; I15-T18 PolarHBondContact N-O 3.42Å; I15-T18 PolarHBondContact O-N 3.14Å; I15-W20 HydrophobicContact CD1-CG 4.31Å; I15-L29 HydrophobicContact CD1-CB 3.34Å; I15-L29 HydrophobicContact CD1-CD2 3.84Å; I15-L29 HydrophobicContact CD1-CG 4.23Å; I15-Q31 HydrophobicContact CG2-CB 4.03Å
16N89.8Confident88Confident115 Ų11570.4 Ų70.462%0.61536%0.362SS*.THydrogen-bonded Turntrans44.554.8-177.5-59.7-48.7000112.6T18 Q31N16-T18 PolarHBondContact O-N 3.38Å; N16-T18 VanDerWaalsContact O-N 3.12Å; N16-Q31 VanDerWaalsContact CB-OE1 3.26Å; N16-Q31 PolarHBondContact ND2-OE1 3.34Å
17S88.4Confident90.5Very high108 Ų10867.4 Ų67.476%0.75533%0.334SS*.THydrogen-bonded Turntrans64.113.3178.8-48.70000115.5E14 I15E14-S17 WeakPolarHBondContact OE1-CA 3.44Å; I15-S17 VanDerWaalsContact C-N 3.32Å; I15-S17 PolarHBondContact O-N 2.88Å
18T90.4Very high92.4Very high29 Ų2971.3 Ų71.318%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-111.2127.2170.1-57.20000109.1I15 N16 K56I15-T18 PolarHBondContact N-O 3.42Å; I15-T18 PolarHBondContact O-N 3.14Å; N16-T18 PolarHBondContact O-N 3.38Å; N16-T18 VanDerWaalsContact O-N 3.12Å; T18-K56 HydrophobicContact CG2-CD 3.98Å
19V93.8Very high94Very high39 Ų3970 Ų7024%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-79.7125.8173.7174.70000109.6R12 K56R12-V19 HydrophobicContact CG-CG1 3.67Å; V19-K56 PolarHBondContact O-NZ 3.23Å
20W95.8Very high94.5Very high0 Ų070.1 Ų70.10%033%0.329CS..EExtended strand (participates in β ladder)trans-108.6132174.8-69.573.8000109.9R12 E13 I15 V22 L29 T39 C41 I54 K56 Y105R12-W20 CarbonylContact C-O 3.58Å; R12-W20 VanDerWaalsContact CA-O 3.27Å; R12-W20 WeakPolarHBondContact CA-O 3.36Å; E13-W20 PolarHBondContact N-O 3.43Å; E13-W20 PolarHBondContact O-N 3.23Å; I15-W20 HydrophobicContact CD1-CG 4.31Å; W20-V22 HydrophobicContact CB-CG1 4.36Å; W20-V22 HydrophobicContact CE3-CG1 4.07Å; W20-L29 HydrophobicContact CB-CD2 4.2Å; W20-L29 HydrophobicContact CD2-CD2 4.27Å; W20-L29 HydrophobicContact CE3-CD2 4.03Å; W20-L29 HydrophobicContact CG-CD2 4.33Å; W20-T39 WeakPolarHBondContact CH2-O 3.31Å; W20-T39 HydrophobicContact CZ2-CG2 3.87Å; W20-C41 HydrophobicContact CH2-CB 3.84Å; W20-C41 HydrophobicContact CZ2-CB 4.15Å; W20-C41 WeakPolarHBondContact CZ2-SG 3.48Å; W20-C41 HydrophobicContact CZ3-CB 4.1Å; W20-I54 WeakPolarHBondContact CH2-O 3.48Å; W20-I54 HydrophobicContact CZ3-CB 4.23Å; W20-I54 HydrophobicContact CZ3-CG2 3.94Å; W20-K56 HydrophobicContact CD2-CB 4.45Å; W20-K56 HydrophobicContact CE3-CB 4.19Å; W20-K56 HydrophobicContact CH2-CB 3.56Å; W20-K56 HydrophobicContact CZ2-CB 3.85Å; W20-K56 HydrophobicContact CZ3-CB 3.75Å; W20-Y105 HydrophobicContact CD2-CE1 4.2Å; W20-Y105 AromaticContact CE3-CD1 3.92Å; W20-Y105 HydrophobicContact CE3-CD1 3.92Å; W20-Y105 AromaticContact CE3-CE1 3.51Å; W20-Y105 HydrophobicContact CE3-CE1 3.51Å; W20-Y105 AromaticContact CZ3-CD1 3.91Å; W20-Y105 HydrophobicContact CZ3-CD1 3.91Å; W20-Y105 AromaticContact CZ3-CE1 3.92Å; W20-Y105 HydrophobicContact CZ3-CE1 3.92Å
21E95.6Very high94.5Very high67 Ų6769.1 Ų69.131%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-120.4104.2171.4-69.7178.6-116.900107.1Y11 R12 P94 Y105Y11-E21 WeakPolarHBondContact O-CA 3.46Å; R12-E21 HydrophobicContact CB-CG 4.31Å; R12-E21 HydrophobicContact CG-CG 4.1Å; E21-P94 HydrophobicContact CB-CB 4.05Å; E21-P94 HydrophobicContact CB-CG 4.03Å; E21-Y105 PolarHBondContact N-OH 3.41Å; E21-Y105 VanDerWaalsContact N-OH 3.1Å; E21-Y105 WeakPolarHBondContact O-CE2 3.42Å
22V96Very high94.3Very high0 Ų069.5 Ų69.50%033%0.331CS..EExtended strand (participates in β ladder)trans-129.1150.3-171-59.10000111.2F10 Y11 W20 L29 F92 Y105F10-V22 WeakPolarHBondContact CA-O 3.45Å; F10-V22 VanDerWaalsContact CD1-C 3.48Å; Y11-V22 HydrophobicContact CD1-CG2 4.05Å; Y11-V22 WeakPolarHBondContact CD1-O 3.36Å; Y11-V22 HydrophobicContact CE1-CG2 3.36Å; Y11-V22 HydrophobicContact CE2-CG2 4.2Å; Y11-V22 VanDerWaalsContact CZ-CG2 3.44Å; Y11-V22 PolarHBondContact N-O 3.46Å; Y11-V22 PolarHBondContact O-N 3.27Å; Y11-V22 VanDerWaalsContact O-N 3.1Å; W20-V22 HydrophobicContact CB-CG1 4.36Å; W20-V22 HydrophobicContact CE3-CG1 4.07Å; V22-L29 HydrophobicContact CG1-CD2 4.08Å; V22-L29 HydrophobicContact CG2-CD1 4.27Å; V22-L29 HydrophobicContact CG2-CD2 3.97Å; V22-F92 HydrophobicContact CB-CE2 4.21Å; V22-F92 HydrophobicContact CB-CZ 4.06Å; V22-F92 HydrophobicContact CG1-CE2 4.06Å; V22-F92 HydrophobicContact CG1-CZ 3.89Å; V22-Y105 HydrophobicContact CG1-CD1 4.36Å; V22-Y105 HydrophobicContact CG1-CE1 4.19Å
23P96.3Very high93.8Very high13 Ų1362.3 Ų62.38%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-56.3140.5173.6-2734.2000111.9F10 K25 Y26 F92F10-P23 HydrophobicContact CD1-CG 4.31Å; F10-P23 HydrophobicContact CE1-CG 3.81Å; F10-P23 HydrophobicContact CZ-CG 4.01Å; P23-K25 HydrophobicContact CB-CG 4.02Å; P23-K25 PolarHBondContact O-N 3.44Å; P23-Y26 HydrophobicContact CB-CD2 4.12Å; P23-Y26 HydrophobicContact CB-CE2 4.46Å; P23-Y26 HydrophobicContact CG-CD2 4.18Å; P23-Y26 HydrophobicContact CG-CE2 4.28Å; P23-Y26 PolarHBondContact O-N 3.18Å; P23-F92 VanDerWaalsContact CD-CZ 3.43Å; P23-F92 HydrophobicContact CG-CB 4.49Å; P23-F92 HydrophobicContact CG-CD1 4.07Å; P23-F92 HydrophobicContact CG-CD2 4.06Å; P23-F92 HydrophobicContact CG-CE1 4.25Å; P23-F92 HydrophobicContact CG-CE2 4.24Å; P23-F92 HydrophobicContact CG-CG 3.95Å; P23-F92 HydrophobicContact CG-CZ 4.34Å
24E95.6Very high93.2Very high110 Ų11063.6 Ų63.651%0.51433%0.326SS..THydrogen-bonded Turntrans-54.7-23.3-179.9-75.817617500114.8H9 Y11 Y26 T27H9-E24 VanDerWaalsContact CB-CD 3.42Å; H9-E24 HydrophobicContact CB-CG 4.14Å; H9-E24 VanDerWaalsContact CB-OE1 3.28Å; H9-E24 WeakPolarHBondContact CB-OE1 3.34Å; H9-E24 WeakPolarHBondContact O-CG 3.18Å; H9-E24 PolarHBondContact O-N 3Å; Y11-E24 HydrophobicContact CD1-CG 4.3Å; E24-Y26 PolarHBondContact O-N 3.08Å; E24-T27 WeakPolarHBondContact O-CG2 3.31Å
25K95.1Very high92Very high59 Ų5959.1 Ų59.126%0.25732%0.316SS..THydrogen-bonded Turntrans-65.3-19.4174.966.4176.6179.8179.50113.4P23 N45 D46 K47 D90P23-K25 HydrophobicContact CB-CG 4.02Å; P23-K25 PolarHBondContact O-N 3.44Å; K25-N45 CarbonylContact O-C 3.57Å; K25-N45 WeakPolarHBondContact O-CA 3.46Å; K25-D46 PolarHBondContact O-N 3.35Å; K25-K47 HydrophobicContact CB-CG 4.24Å; K25-K47 HydrophobicContact CD-CD 4.24Å; K25-D90 IonicContact NZ-OD2 2.63Å; K25-D90 PolarHBondContact NZ-OD2 3.48Å
26Y97.1Very high90.8Very high3 Ų362.1 Ų62.11%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-100.4108.9178-64.4-61.9000109.7Y11 P23 E24 I44 N45 V52 I54 D90 F92 V107Y11-Y26 VanDerWaalsContact CE1-O 3.32Å; Y11-Y26 WeakPolarHBondContact CE1-O 3.23Å; Y11-Y26 PolarHBondContact OH-O 2.7Å; P23-Y26 HydrophobicContact CB-CD2 4.12Å; P23-Y26 HydrophobicContact CB-CE2 4.46Å; P23-Y26 HydrophobicContact CG-CD2 4.18Å; P23-Y26 HydrophobicContact CG-CE2 4.28Å; P23-Y26 PolarHBondContact O-N 3.18Å; E24-Y26 PolarHBondContact O-N 3.08Å; Y26-I44 WeakPolarHBondContact CA-O 3.43Å; Y26-N45 HydrophobicContact CD1-CB 4.07Å; Y26-N45 HydrophobicContact CE1-CB 3.89Å; Y26-V52 HydrophobicContact CD1-CG2 3.91Å; Y26-V52 HydrophobicContact CE1-CG2 3.9Å; Y26-I54 HydrophobicContact CD1-CD1 3.89Å; Y26-I54 HydrophobicContact CD2-CD1 4Å; Y26-I54 HydrophobicContact CE1-CD1 4.48Å; Y26-I54 HydrophobicContact CG-CD1 3.62Å; Y26-D90 WeakPolarHBondContact OH-CB 3.49Å; Y26-D90 PolarHBondContact OH-OD2 3.39Å; Y26-F92 AromaticContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CZ 4.38Å; Y26-F92 HydrophobicContact CE2-CD1 4.08Å; Y26-F92 AromaticContact CE2-CE1 3.6Å; Y26-F92 HydrophobicContact CE2-CE1 3.6Å; Y26-F92 HydrophobicContact CE2-CZ 4.47Å; Y26-V107 HydrophobicContact CE1-CG1 4.09Å; Y26-V107 HydrophobicContact CE2-CG2 4.12Å
27T95.7Very high89.8Confident33 Ų3360.7 Ų60.720%0.20233%0.33CS..EExtended strand (participates in β ladder)trans-116.3166.3-175.1610000111.8E24 L29 A43 I44 D46E24-T27 WeakPolarHBondContact O-CG2 3.31Å; T27-L29 PolarHBondContact O-N 2.54Å; T27-A43 WeakPolarHBondContact O-CA 3.34Å; T27-I44 PolarHBondContact N-O 2.68Å; T27-I44 PolarHBondContact O-N 2.65Å; T27-D46 WeakPolarHBondContact CB-OD2 3.48Å; T27-D46 WeakPolarHBondContact CG2-OD2 3.32Å; T27-D46 PolarHBondContact OG1-OD2 3.4Å
28R95.1Very high89.6Confident203 Ų20355.7 Ų55.777%0.76630%0.295SS*.EExtended strand (participates in β ladder)trans57.250.2175.7-52.3-179.9-175.9-176.80112.9K30R28-K30 PolarHBondContact O-N 3.23Å
29L96.6Very high89.6Confident16 Ų1654.5 Ų54.58%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-62.1131.5178.5-83.358.8000109.7Y11 I15 W20 V22 T27 C41 S42 A43Y11-L29 WeakPolarHBondContact OH-CD1 3.49Å; I15-L29 HydrophobicContact CD1-CB 3.34Å; I15-L29 HydrophobicContact CD1-CD2 3.84Å; I15-L29 HydrophobicContact CD1-CG 4.23Å; W20-L29 HydrophobicContact CB-CD2 4.2Å; W20-L29 HydrophobicContact CD2-CD2 4.27Å; W20-L29 HydrophobicContact CE3-CD2 4.03Å; W20-L29 HydrophobicContact CG-CD2 4.33Å; V22-L29 HydrophobicContact CG1-CD2 4.08Å; V22-L29 HydrophobicContact CG2-CD1 4.27Å; V22-L29 HydrophobicContact CG2-CD2 3.97Å; T27-L29 PolarHBondContact O-N 2.54Å; L29-C41 HydrophobicContact CB-CB 4.39Å; L29-C41 HydrophobicContact CG-CB 4.38Å; L29-S42 CarbonylContact C-O 3.53Å; L29-S42 VanDerWaalsContact CA-O 3.32Å; L29-S42 WeakPolarHBondContact CA-O 3.48Å; L29-A43 HydrophobicContact CD1-CB 3.81Å; L29-A43 HydrophobicContact CG-CB 4.26Å
30K95.8Very high89.6Confident147 Ų14754.1 Ų54.164%0.63929%0.286SS*.EExtended strand (participates in β ladder)trans-137.3122.9174.8-178.8179.7179.8178.40108.7R28 I32 C41 S42R28-K30 PolarHBondContact O-N 3.23Å; K30-I32 PolarHBondContact O-N 3.22Å; K30-C41 CarbonylContact O-C 3.59Å; K30-C41 VanDerWaalsContact O-CA 3.23Å; K30-C41 WeakPolarHBondContact O-CA 3.28Å; K30-S42 PolarHBondContact N-O 3.31Å; K30-S42 PolarHBondContact O-N 3.3Å; K30-S42 PolarHBondContact O-OG 3.25Å
31Q94.8Very high89.6Confident47 Ų4754.1 Ų54.122%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-62.4132.2176.7-173.3167-32.800111.1I15 N16 T34 T39I15-Q31 HydrophobicContact CG2-CB 4.03Å; N16-Q31 VanDerWaalsContact CB-OE1 3.26Å; N16-Q31 PolarHBondContact ND2-OE1 3.34Å; Q31-T34 PolarHBondContact NE2-OG1 3.36Å; Q31-T39 HydrophobicContact CG-CG2 3.85Å
32I91.3Very high89.6Confident70 Ų7051.3 Ų51.336%0.35927%0.273SS..EExtended strand (participates in β ladder)trans-120.8-15.217960.6173.2000112.8K30 V40 A53 Y110K30-I32 PolarHBondContact O-N 3.22Å; I32-V40 HydrophobicContact CD1-CG1 3.81Å; I32-V40 HydrophobicContact CG1-CB 4.08Å; I32-V40 HydrophobicContact CG1-CG1 3.8Å; I32-V40 WeakPolarHBondContact CG1-O 3.28Å; I32-V40 PolarHBondContact N-O 3.44Å; I32-A53 HydrophobicContact CD1-CB 4.37Å; I32-Y110 HydrophobicContact CD1-CD2 4.18Å; I32-Y110 HydrophobicContact CD1-CE2 3.92Å; I32-Y110 HydrophobicContact CG2-CE2 4.49Å
33G84.7Confident89.7Confident29 Ų2951.3 Ų51.330%0.29927%0.274SS..EExtended strand (participates in β ladder)trans-170.1157.6175.900000113.4T39 V40G33-T39 WeakPolarHBondContact O-CG2 3.39Å; G33-V40 PolarHBondContact N-O 2.91Å; G33-V40 PolarHBondContact O-N 2.95Å
34T80.9Confident89.8Confident95 Ų9552.8 Ų52.858%0.58328%0.28SS*.EExtended strand (participates in β ladder)trans-132.4130.2172.5-54.40000107.9Q31Q31-T34 PolarHBondContact NE2-OG1 3.36Å
35G71.1Confident89.8Confident42 Ų4248.6 Ų48.643%0.43326%0.261SS..EExtended strand (participates in β ladder)trans-125.2175.4174.500000111.3Y37 G38G35-Y37 PolarHBondContact O-N 2.97Å; G35-Y37 VanDerWaalsContact O-N 3.1Å; G35-G38 PolarHBondContact N-O 3.29Å; G35-G38 PolarHBondContact O-N 3.37Å
36A66.5Low89.7Confident80 Ų8048.8 Ų48.866%0.66127%0.265SS*.THydrogen-bonded Turntrans-60.7-21.4179.700000113.9
37Y69.6Low89.4Confident85 Ų8556.7 Ų56.733%0.33330%0.3SS..THydrogen-bonded Turntrans-115.81.3-171.8-51-72000113.8G35 H58 F66 R69G35-Y37 PolarHBondContact O-N 2.97Å; G35-Y37 VanDerWaalsContact O-N 3.1Å; Y37-H58 PolarHBondContact O-N 2.56Å; Y37-H58 VanDerWaalsContact O-N 3.16Å; Y37-F66 HydrophobicContact CD1-CD1 4.33Å; Y37-F66 AromaticContact CD1-CE1 3.77Å; Y37-F66 HydrophobicContact CD1-CE1 3.77Å; Y37-F66 HydrophobicContact CD1-CZ 4.43Å; Y37-F66 AromaticContact CE1-CE1 3.96Å; Y37-F66 HydrophobicContact CE1-CE1 3.96Å; Y37-F66 HydrophobicContact CE1-CZ 4.17Å; Y37-R69 VanDerWaalsContact CE1-NH1 3.34Å; Y37-R69 VanDerWaalsContact CZ-CZ 3.4Å; Y37-R69 PolarHBondContact OH-NH1 2.92Å
38G83.1Confident89.2Confident3 Ų357.8 Ų57.83%0.03131%0.309CS..EExtended strand (participates in β ladder)trans167.1171.5-17800000114.4G35 K56G35-G38 PolarHBondContact N-O 3.29Å; G35-G38 PolarHBondContact O-N 3.37Å; G38-K56 CarbonylContact C-O 3.5Å; G38-K56 WeakPolarHBondContact CA-O 3.17Å
39T90.7Very high89.1Confident3 Ų354.9 Ų54.92%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-113.2143.5174.4-580000109W20 Q31 G33 K55 K56 H58W20-T39 WeakPolarHBondContact CH2-O 3.31Å; W20-T39 HydrophobicContact CZ2-CG2 3.87Å; Q31-T39 HydrophobicContact CG-CG2 3.85Å; G33-T39 WeakPolarHBondContact O-CG2 3.39Å; T39-K55 CarbonylContact O-C 3.55Å; T39-K55 WeakPolarHBondContact O-CA 3.3Å; T39-K56 PolarHBondContact N-O 3.07Å; T39-K56 PolarHBondContact O-N 2.79Å; T39-H58 PolarHBondContact N-NE2 3.12Å; T39-H58 PolarHBondContact OG1-CE1 2.86Å; T39-H58 PolarHBondContact OG1-NE2 3.32Å
40V93.6Very high88.8Confident32 Ų3257.3 Ų57.319%0.19431%0.313CS..EExtended strand (participates in β ladder)trans-116.8127.2180-170.10000109.4I32 G33 A53 I54 K55I32-V40 HydrophobicContact CD1-CG1 3.81Å; I32-V40 HydrophobicContact CG1-CB 4.08Å; I32-V40 HydrophobicContact CG1-CG1 3.8Å; I32-V40 WeakPolarHBondContact CG1-O 3.28Å; I32-V40 PolarHBondContact N-O 3.44Å; G33-V40 PolarHBondContact N-O 2.91Å; G33-V40 PolarHBondContact O-N 2.95Å; V40-A53 HydrophobicContact CG1-CB 4.13Å; V40-I54 WeakPolarHBondContact CA-O 3.27Å; V40-K55 HydrophobicContact CG2-CB 4.08Å; V40-K55 HydrophobicContact CG2-CD 4.44Å; V40-K55 HydrophobicContact CG2-CG 4.02Å
41C96.4Very high88.8Confident0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans-113.2140.8171.1-74.80000110W20 L29 K30 A53 I54W20-C41 HydrophobicContact CH2-CB 3.84Å; W20-C41 HydrophobicContact CZ2-CB 4.15Å; W20-C41 WeakPolarHBondContact CZ2-SG 3.48Å; W20-C41 HydrophobicContact CZ3-CB 4.1Å; L29-C41 HydrophobicContact CB-CB 4.39Å; L29-C41 HydrophobicContact CG-CB 4.38Å; K30-C41 CarbonylContact O-C 3.59Å; K30-C41 VanDerWaalsContact O-CA 3.23Å; K30-C41 WeakPolarHBondContact O-CA 3.28Å; C41-A53 CarbonylContact O-C 3.59Å; C41-I54 PolarHBondContact N-O 2.99Å; C41-I54 PolarHBondContact O-N 2.96Å
42S96.6Very high88.8Confident7 Ų752.4 Ų52.45%0.04929%0.29CS..EExtended strand (participates in β ladder)trans-78.4145.4159.3650000109.8L29 K30 V52L29-S42 CarbonylContact C-O 3.53Å; L29-S42 VanDerWaalsContact CA-O 3.32Å; L29-S42 WeakPolarHBondContact CA-O 3.48Å; K30-S42 PolarHBondContact N-O 3.31Å; K30-S42 PolarHBondContact O-N 3.3Å; K30-S42 PolarHBondContact O-OG 3.25Å; S42-V52 CarbonylContact C-O 3.58Å; S42-V52 VanDerWaalsContact CA-O 3.23Å; S42-V52 WeakPolarHBondContact CA-O 3.37Å
43A97.6Very high89.1Confident1 Ų149.4 Ų49.41%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-141.3163.9173.500000110.3T27 L29 K51 V52 I54T27-A43 WeakPolarHBondContact O-CA 3.34Å; L29-A43 HydrophobicContact CD1-CB 3.81Å; L29-A43 HydrophobicContact CG-CB 4.26Å; A43-K51 CarbonylContact O-C 3.45Å; A43-K51 WeakPolarHBondContact O-CA 3.46Å; A43-V52 HydrophobicContact CB-CG2 4.14Å; A43-V52 PolarHBondContact N-O 3.05Å; A43-V52 PolarHBondContact O-N 2.92Å; A43-I54 HydrophobicContact CB-CD1 3.71Å; A43-I54 HydrophobicContact CB-CG1 4.24Å
44I97.3Very high89.6Confident43 Ų4348 Ų4822%0.22126%0.262CS..EExtended strand (participates in β ladder)trans-99.6126.9167.8-57.2-58.4000108.1Y26 T27 D46 K51Y26-I44 WeakPolarHBondContact CA-O 3.43Å; T27-I44 PolarHBondContact N-O 2.68Å; T27-I44 PolarHBondContact O-N 2.65Å; I44-D46 PolarHBondContact O-N 3.36Å; I44-K51 HydrophobicContact CD1-CB 3.91Å; I44-K51 HydrophobicContact CD1-CG 4Å
45N95.3Very high90.3Very high22 Ų2245 Ų4512%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-83107.1169.7-180-15.2000108.7K25 Y26 K47 S48 K49 E50 V52K25-N45 CarbonylContact O-C 3.57Å; K25-N45 WeakPolarHBondContact O-CA 3.46Å; Y26-N45 HydrophobicContact CD1-CB 4.07Å; Y26-N45 HydrophobicContact CE1-CB 3.89Å; N45-K47 PolarHBondContact O-N 2.65Å; N45-K47 VanDerWaalsContact O-N 3.16Å; N45-K47 WeakPolarHBondContact OD1-CB 3.42Å; N45-K47 PolarHBondContact OD1-N 2.87Å; N45-S48 WeakPolarHBondContact CB-OG 3.4Å; N45-S48 PolarHBondContact ND2-OG 3.08Å; N45-S48 PolarHBondContact O-N 2.68Å; N45-K49 WeakPolarHBondContact O-CA 3.5Å; N45-K49 PolarHBondContact O-N 3Å; N45-E50 PolarHBondContact N-O 3.16Å; N45-V52 HydrophobicContact CB-CG1 4.46Å
46D93.8Very high91.4Very high64 Ų6444 Ų4434%0.34223%0.225SC..THydrogen-bonded Turntrans-68.1-15-174.8-93.2-46.5000114.7K25 T27 I44 K49K25-D46 PolarHBondContact O-N 3.35Å; T27-D46 WeakPolarHBondContact CB-OD2 3.48Å; T27-D46 WeakPolarHBondContact CG2-OD2 3.32Å; T27-D46 PolarHBondContact OG1-OD2 3.4Å; I44-D46 PolarHBondContact O-N 3.36Å; D46-K49 WeakPolarHBondContact O-CD 3.5Å; D46-K49 VanDerWaalsContact O-CE 3.25Å; D46-K49 WeakPolarHBondContact O-CE 3.19Å; D46-K49 PolarHBondContact O-NZ 3.45Å; D46-K49 IonicContact OD1-NZ 3.37Å; D46-K49 PolarHBondContact OD1-NZ 3.08Å
47K91.3Very high92.6Very high169 Ų16940.4 Ų40.474%0.73519%0.194SC*.THydrogen-bonded Turntrans-77.9-44.7172.5-64.5-172.5176.6-171.80111.9K25 N45K25-K47 HydrophobicContact CB-CG 4.24Å; K25-K47 HydrophobicContact CD-CD 4.24Å; N45-K47 PolarHBondContact O-N 2.65Å; N45-K47 VanDerWaalsContact O-N 3.16Å; N45-K47 WeakPolarHBondContact OD1-CB 3.42Å; N45-K47 PolarHBondContact OD1-N 2.87Å
48S90.4Very high93.3Very high56 Ų5639.4 Ų39.439%0.39219%0.192SC..THydrogen-bonded Turntrans-96-13.1-178.166.30000114.1N45 E50N45-S48 WeakPolarHBondContact CB-OG 3.4Å; N45-S48 PolarHBondContact ND2-OG 3.08Å; N45-S48 PolarHBondContact O-N 2.68Å; S48-E50 PolarHBondContact O-N 3.36Å; S48-E50 VanDerWaalsContact O-N 3.14Å; S48-E50 WeakPolarHBondContact OG-CB 3.03Å; S48-E50 PolarHBondContact OG-N 2.91Å
49K93.3Very high93.5Very high142 Ų14248.5 Ų48.562%0.61723%0.226SC*.  trans60.28-169.2-55.6-50.5-169.9-163.30115.3N45 D46N45-K49 WeakPolarHBondContact O-CA 3.5Å; N45-K49 PolarHBondContact O-N 3Å; D46-K49 WeakPolarHBondContact O-CD 3.5Å; D46-K49 VanDerWaalsContact O-CE 3.25Å; D46-K49 WeakPolarHBondContact O-CE 3.19Å; D46-K49 PolarHBondContact O-NZ 3.45Å; D46-K49 IonicContact OD1-NZ 3.37Å; D46-K49 PolarHBondContact OD1-NZ 3.08Å
50E91.9Very high93.5Very high67 Ų6748.5 Ų48.531%0.31323%0.226SC..  trans-80.5149176.7-62.9-175165.800112.8N45 S48 R355N45-E50 PolarHBondContact N-O 3.16Å; S48-E50 PolarHBondContact O-N 3.36Å; S48-E50 VanDerWaalsContact O-N 3.14Å; S48-E50 WeakPolarHBondContact OG-CB 3.03Å; S48-E50 PolarHBondContact OG-N 2.91Å; E50-R355 VanDerWaalsContact CD-NH1 3.31Å; E50-R355 IonicContact OE1-NH1 3.02Å; E50-R355 PolarHBondContact OE1-NH1 3.37Å; E50-R355 IonicContact OE2-CZ 2.76Å; E50-R355 IonicContact OE2-NH1 2.84Å; E50-R355 PolarHBondContact OE2-NH1 2.83Å; E50-R355 IonicContact OE2-NH2 3.96Å
51K94.9Very high93.5Very high89 Ų8948 Ų4839%0.38722%0.221SC..EExtended strand (participates in β ladder)trans-81.9132.5167.3-167.6175.2-177.9-172.20110.1A43 I44 Y110A43-K51 CarbonylContact O-C 3.45Å; A43-K51 WeakPolarHBondContact O-CA 3.46Å; I44-K51 HydrophobicContact CD1-CB 3.91Å; I44-K51 HydrophobicContact CD1-CG 4Å; K51-Y110 HydrophobicContact CD-CD1 3.7Å; K51-Y110 HydrophobicContact CD-CD2 4.31Å; K51-Y110 HydrophobicContact CD-CE1 3.83Å; K51-Y110 HydrophobicContact CD-CE2 4.45Å; K51-Y110 HydrophobicContact CD-CG 3.95Å; K51-Y110 HydrophobicContact CG-CD1 4.08Å; K51-Y110 HydrophobicContact CG-CD2 4.3Å; K51-Y110 HydrophobicContact CG-CG 3.88Å; K51-Y110 VanDerWaalsContact NZ-CZ 3.29Å; K51-Y110 PolarHBondContact NZ-OH 3.48Å; K51-Y110 WeakPolarHBondContact O-CB 3.12Å
52V95.5Very high93.3Very high1 Ų152.9 Ų52.91%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-126.8160.5-178.8-59.90000111Y26 S42 A43 N45 I54 V107Y26-V52 HydrophobicContact CD1-CG2 3.91Å; Y26-V52 HydrophobicContact CE1-CG2 3.9Å; S42-V52 CarbonylContact C-O 3.58Å; S42-V52 VanDerWaalsContact CA-O 3.23Å; S42-V52 WeakPolarHBondContact CA-O 3.37Å; A43-V52 HydrophobicContact CB-CG2 4.14Å; A43-V52 PolarHBondContact N-O 3.05Å; A43-V52 PolarHBondContact O-N 2.92Å; N45-V52 HydrophobicContact CB-CG1 4.46Å; V52-I54 HydrophobicContact CG2-CD1 4.39Å; V52-I54 HydrophobicContact CG2-CG1 4.05Å; V52-V107 HydrophobicContact CB-CG1 3.81Å; V52-V107 HydrophobicContact CG1-CG1 4.18Å; V52-V107 HydrophobicContact CG2-CG1 3.88Å
53A95.8Very high93Very high8 Ų854.6 Ų54.67%0.06626%0.256CS..EExtended strand (participates in β ladder)trans-105.4125.6168.100000109.3I32 V40 C41 V107 M108I32-A53 HydrophobicContact CD1-CB 4.37Å; V40-A53 HydrophobicContact CG1-CB 4.13Å; C41-A53 CarbonylContact O-C 3.59Å; A53-V107 CarbonylContact O-C 3.58Å; A53-V107 WeakPolarHBondContact O-CA 3.24Å; A53-M108 PolarHBondContact N-O 3.14Å; A53-M108 PolarHBondContact O-N 2.79Å
54I96.8Very high92.6Very high0 Ų059.1 Ų59.10%028%0.277CS..EExtended strand (participates in β ladder)trans-111.8117.5177.9-49.8-176.7000107.9W20 Y26 V40 C41 A43 V52 F92 Y105 L106 V107W20-I54 WeakPolarHBondContact CH2-O 3.48Å; W20-I54 HydrophobicContact CZ3-CB 4.23Å; W20-I54 HydrophobicContact CZ3-CG2 3.94Å; Y26-I54 HydrophobicContact CD1-CD1 3.89Å; Y26-I54 HydrophobicContact CD2-CD1 4Å; Y26-I54 HydrophobicContact CE1-CD1 4.48Å; Y26-I54 HydrophobicContact CG-CD1 3.62Å; V40-I54 WeakPolarHBondContact CA-O 3.27Å; C41-I54 PolarHBondContact N-O 2.99Å; C41-I54 PolarHBondContact O-N 2.96Å; A43-I54 HydrophobicContact CB-CD1 3.71Å; A43-I54 HydrophobicContact CB-CG1 4.24Å; V52-I54 HydrophobicContact CG2-CD1 4.39Å; V52-I54 HydrophobicContact CG2-CG1 4.05Å; I54-F92 HydrophobicContact CG2-CE1 4.34Å; I54-F92 HydrophobicContact CG2-CZ 4.05Å; I54-Y105 HydrophobicContact CG2-CD1 4.06Å; I54-L106 CarbonylContact C-O 3.55Å; I54-L106 WeakPolarHBondContact CA-O 3.39Å; I54-V107 HydrophobicContact CG1-CG1 4.38Å; I54-V107 HydrophobicContact CG1-CG2 4.2Å; I54-V107 HydrophobicContact CG2-CG2 4.34Å
55K94.9Very high92.1Very high30 Ų3063.6 Ų63.613%0.1330%0.3CS..EExtended strand (participates in β ladder)trans-98.6118.4174.8-179.3177179.4-171.80109.5T39 V40 L57 E73 Y105 L106 M108T39-K55 CarbonylContact O-C 3.55Å; T39-K55 WeakPolarHBondContact O-CA 3.3Å; V40-K55 HydrophobicContact CG2-CB 4.08Å; V40-K55 HydrophobicContact CG2-CD 4.44Å; V40-K55 HydrophobicContact CG2-CG 4.02Å; K55-L57 HydrophobicContact CD-CD2 4.4Å; K55-E73 VanDerWaalsContact NZ-CD 3.32Å; K55-E73 IonicContact NZ-OE1 2.72Å; K55-E73 PolarHBondContact NZ-OE1 3.3Å; K55-E73 IonicContact NZ-OE2 3.19Å; K55-E73 PolarHBondContact NZ-OE2 3.4Å; K55-Y105 WeakPolarHBondContact O-CA 3.47Å; K55-L106 HydrophobicContact CB-CB 4.37Å; K55-L106 PolarHBondContact N-O 3.46Å; K55-L106 PolarHBondContact O-N 2.83Å; K55-M108 HydrophobicContact CB-CE 3.69Å; K55-M108 HydrophobicContact CD-CE 4.45Å
56K94.9Very high91.7Very high22 Ų2265.3 Ų65.310%0.09631%0.307CS..EExtended strand (participates in β ladder)trans-87.1122.1167.1-176.1177.4-171.7171.80109T18 V19 W20 G38 T39 D103 Y105T18-K56 HydrophobicContact CG2-CD 3.98Å; V19-K56 PolarHBondContact O-NZ 3.23Å; W20-K56 HydrophobicContact CD2-CB 4.45Å; W20-K56 HydrophobicContact CE3-CB 4.19Å; W20-K56 HydrophobicContact CH2-CB 3.56Å; W20-K56 HydrophobicContact CZ2-CB 3.85Å; W20-K56 HydrophobicContact CZ3-CB 3.75Å; G38-K56 CarbonylContact C-O 3.5Å; G38-K56 WeakPolarHBondContact CA-O 3.17Å; T39-K56 PolarHBondContact N-O 3.07Å; T39-K56 PolarHBondContact O-N 2.79Å; K56-D103 WeakPolarHBondContact CE-OD2 3.44Å; K56-D103 IonicContact NZ-OD2 2.97Å; K56-D103 PolarHBondContact NZ-OD2 3.34Å; K56-Y105 HydrophobicContact CB-CD1 3.77Å; K56-Y105 HydrophobicContact CB-CE1 3.57Å; K56-Y105 HydrophobicContact CD-CE1 3.64Å; K56-Y105 WeakPolarHBondContact CD-OH 3.28Å; K56-Y105 WeakPolarHBondContact CE-OH 3.44Å; K56-Y105 HydrophobicContact CG-CD1 4.02Å; K56-Y105 HydrophobicContact CG-CE1 3.48Å; K56-Y105 VanDerWaalsContact CG-CE1 3.48Å; K56-Y105 PolarHBondContact NZ-OH 3.49Å
57L91.3Very high91.6Very high5 Ų562.3 Ų62.33%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-77132.9173.6-65.8177.3000110.9K55 P60 A70 F104 L106K55-L57 HydrophobicContact CD-CD2 4.4Å; L57-P60 HydrophobicContact CB-CB 4.25Å; L57-P60 HydrophobicContact CB-CG 4.25Å; L57-P60 HydrophobicContact CD1-CB 4.42Å; L57-A70 HydrophobicContact CD1-CB 3.97Å; L57-F104 HydrophobicContact CD1-CD1 4.24Å; L57-F104 HydrophobicContact CD1-CD2 3.99Å; L57-F104 HydrophobicContact CD1-CE1 3.64Å; L57-F104 HydrophobicContact CD1-CE2 3.35Å; L57-F104 HydrophobicContact CD1-CG 4.41Å; L57-F104 HydrophobicContact CD1-CZ 3.17Å; L57-F104 PolarHBondContact N-O 3.03Å; L57-L106 HydrophobicContact CD1-CD1 4.41Å; L57-L106 HydrophobicContact CD2-CD1 4.45Å; L57-L106 HydrophobicContact CG-CD1 4.48Å
58H84.8Confident91.5Very high63 Ų6356.7 Ų56.729%0.29227%0.266SS..SBendtrans-86.5115.4179-72-178.2000110.4Y37 T39 P60Y37-H58 PolarHBondContact O-N 2.56Å; Y37-H58 VanDerWaalsContact O-N 3.16Å; T39-H58 PolarHBondContact N-NE2 3.12Å; T39-H58 PolarHBondContact OG1-CE1 2.86Å; T39-H58 PolarHBondContact OG1-NE2 3.32Å; H58-P60 VanDerWaalsContact C-N 3.33Å
59R86.9Confident91.3Very high194 Ų19456.1 Ų56.173%0.73226%0.255SS*.SBendtrans41.256.3175.8-57.7-178.5-176.6163.50.8112.3F61 Q62R59-F61 PolarHBondContact O-N 3.08Å; R59-Q62 HydrophobicContact CB-CB 4.15Å; R59-Q62 WeakPolarHBondContact O-CB 3.45Å; R59-Q62 WeakPolarHBondContact O-CG 3.41Å; R59-Q62 PolarHBondContact O-N 2.65Å
60P90.8Very high91.1Very high4 Ų449.6 Ų49.63%0.02623%0.228CC..THydrogen-bonded Turntrans-58.8-24.1-174.224.6-34000112.5L57 H58 F66 A67 A70 F104L57-P60 HydrophobicContact CB-CB 4.25Å; L57-P60 HydrophobicContact CB-CG 4.25Å; L57-P60 HydrophobicContact CD1-CB 4.42Å; H58-P60 VanDerWaalsContact C-N 3.33Å; P60-F66 CarbonylContact O-C 3.11Å; P60-F66 WeakPolarHBondContact O-CB 3.4Å; P60-A67 WeakPolarHBondContact O-CA 3.32Å; P60-A67 PolarHBondContact O-N 3.04Å; P60-A70 HydrophobicContact CB-CB 3.7Å; P60-F104 HydrophobicContact CB-CE1 4.31Å; P60-F104 HydrophobicContact CG-CD1 4.39Å; P60-F104 HydrophobicContact CG-CE1 4.27Å
61F93.9Very high91.1Very high20 Ų2046.6 Ų46.69%0.08821%0.214CC..THydrogen-bonded Turntrans-102.728-179.7-45.4-58.9000113.6R59 A67 F101 Q102 F104 L336 R340 C343R59-F61 PolarHBondContact O-N 3.08Å; F61-A67 HydrophobicContact CD1-CB 3.97Å; F61-F101 HydrophobicContact CE1-CE1 4.2Å; F61-F101 AromaticContact CE2-CD1 3.75Å; F61-F101 HydrophobicContact CE2-CD1 3.75Å; F61-F101 AromaticContact CE2-CE1 3.55Å; F61-F101 HydrophobicContact CE2-CE1 3.55Å; F61-F101 HydrophobicContact CE2-CG 4.34Å; F61-F101 AromaticContact CE2-CZ 3.97Å; F61-F101 HydrophobicContact CE2-CZ 3.97Å; F61-F101 AromaticContact CZ-CD1 3.85Å; F61-F101 HydrophobicContact CZ-CD1 3.85Å; F61-F101 AromaticContact CZ-CE1 3.2Å; F61-F101 HydrophobicContact CZ-CE1 3.2Å; F61-F101 AromaticContact CZ-CZ 3.67Å; F61-F101 HydrophobicContact CZ-CZ 3.67Å; F61-Q102 WeakPolarHBondContact CD2-O 3.29Å; F61-F104 HydrophobicContact CZ-CD1 4.16Å; F61-F104 HydrophobicContact CZ-CE1 4.01Å; F61-L336 HydrophobicContact CB-CD1 4.3Å; F61-L336 WeakPolarHBondContact O-CD1 3.43Å; F61-L336 VanDerWaalsContact O-CD2 3.31Å; F61-L336 WeakPolarHBondContact O-CD2 3.34Å; F61-R340 HydrophobicContact CD1-CB 3.97Å; F61-R340 HydrophobicContact CD1-CG 4.14Å; F61-R340 HydrophobicContact CD2-CG 4.15Å; F61-R340 HydrophobicContact CE1-CB 4.16Å; F61-R340 HydrophobicContact CE1-CG 4.21Å; F61-R340 HydrophobicContact CE2-CG 4.21Å; F61-R340 HydrophobicContact CG-CB 4.34Å; F61-R340 HydrophobicContact CG-CG 4.14Å; F61-R340 HydrophobicContact CZ-CG 4.26Å; F61-C343 HydrophobicContact CE1-CB 4.02Å; F61-C343 HydrophobicContact CZ-CB 4.04Å
62Q90.9Very high90.8Very high103 Ų10343.2 Ų43.248%0.48120%0.199SC..SBendtrans-75.8-25.5176.368.5-179.1-0.700114R59 F66R59-Q62 HydrophobicContact CB-CB 4.15Å; R59-Q62 WeakPolarHBondContact O-CB 3.45Å; R59-Q62 WeakPolarHBondContact O-CG 3.41Å; R59-Q62 PolarHBondContact O-N 2.65Å; Q62-F66 HydrophobicContact CG-CB 4.03Å; Q62-F66 HydrophobicContact CG-CD1 4.25Å; Q62-F66 HydrophobicContact CG-CD2 4.08Å; Q62-F66 HydrophobicContact CG-CG 3.85Å
63S90.7Very high90.6Very high43 Ų4343.8 Ų43.830%0.30120%0.201SC..SBendtrans-157.7161.9175.871.70000110.2I65 F66 A67 L336S63-I65 PolarHBondContact O-N 3.37Å; S63-F66 PolarHBondContact O-N 2.9Å; S63-F66 VanDerWaalsContact O-N 3.1Å; S63-F66 WeakPolarHBondContact OG-CD2 3.43Å; S63-A67 PolarHBondContact O-N 3.33Å; S63-L336 VanDerWaalsContact C-CD1 3.46Å
64E90.1Very high90.4Very high97 Ų9743.4 Ų43.445%0.45320%0.198SC..Hα-helixtrans-57.3-37.1-179.3-65.4177.3176.800112.2A67 K68 L336E64-A67 PolarHBondContact O-N 3.02Å; E64-K68 WeakPolarHBondContact O-CB 3.44Å; E64-K68 PolarHBondContact O-N 3.45Å; E64-L336 HydrophobicContact CG-CB 4.35Å
65I85.8Confident90.2Very high137 Ų13745.4 Ų45.470%0.70321%0.206SC*.Hα-helixtrans-63.1-45177.6-60.9173.4000110.9S63 R69S63-I65 PolarHBondContact O-N 3.37Å; I65-R69 WeakPolarHBondContact O-CB 3.48Å; I65-R69 PolarHBondContact O-N 3.42Å; I65-R69 VanDerWaalsContact O-N 3.1Å
66F86.9Confident90Very high58 Ų5844 Ų4425%0.25420%0.2SC..Hα-helixtrans-69.1-40.1178.4-83.9-105.6000111.4Y37 P60 Q62 S63 R69 A70Y37-F66 HydrophobicContact CD1-CD1 4.33Å; Y37-F66 AromaticContact CD1-CE1 3.77Å; Y37-F66 HydrophobicContact CD1-CE1 3.77Å; Y37-F66 HydrophobicContact CD1-CZ 4.43Å; Y37-F66 AromaticContact CE1-CE1 3.96Å; Y37-F66 HydrophobicContact CE1-CE1 3.96Å; Y37-F66 HydrophobicContact CE1-CZ 4.17Å; P60-F66 CarbonylContact O-C 3.11Å; P60-F66 WeakPolarHBondContact O-CB 3.4Å; Q62-F66 HydrophobicContact CG-CB 4.03Å; Q62-F66 HydrophobicContact CG-CD1 4.25Å; Q62-F66 HydrophobicContact CG-CD2 4.08Å; Q62-F66 HydrophobicContact CG-CG 3.85Å; S63-F66 PolarHBondContact O-N 2.9Å; S63-F66 VanDerWaalsContact O-N 3.1Å; S63-F66 WeakPolarHBondContact OG-CD2 3.43Å; F66-R69 PolarHBondContact O-N 2.76Å; F66-A70 WeakPolarHBondContact O-CB 3.45Å; F66-A70 PolarHBondContact O-N 2.84Å
67A91.6Very high89.9Confident0 Ų043.2 Ų43.20%020%0.196CC..Hα-helixtrans-67.8-44.9-178.500000111.5P60 F61 S63 E64 R69 A70 Y71 L336 W339P60-A67 WeakPolarHBondContact O-CA 3.32Å; P60-A67 PolarHBondContact O-N 3.04Å; F61-A67 HydrophobicContact CD1-CB 3.97Å; S63-A67 PolarHBondContact O-N 3.33Å; E64-A67 PolarHBondContact O-N 3.02Å; A67-R69 VanDerWaalsContact C-N 3.33Å; A67-R69 PolarHBondContact O-N 2.9Å; A67-A70 PolarHBondContact O-N 3.16Å; A67-Y71 WeakPolarHBondContact O-CB 3.23Å; A67-Y71 PolarHBondContact O-N 3.33Å; A67-L336 HydrophobicContact CB-CD1 3.77Å; A67-W339 HydrophobicContact CB-CB 3.6Å; A67-W339 HydrophobicContact CB-CG 4.11Å
68K89Confident89.9Confident52 Ų5244.8 Ų44.823%0.22620%0.203CC..Hα-helixtrans-59.2-43.4173.3-177.4170.5-177167.90111.8E64 Y71 R72 D330 A332 W339E64-K68 WeakPolarHBondContact O-CB 3.44Å; E64-K68 PolarHBondContact O-N 3.45Å; K68-Y71 PolarHBondContact O-N 3.24Å; K68-R72 WeakPolarHBondContact O-CB 3.41Å; K68-R72 PolarHBondContact O-N 3.06Å; K68-D330 WeakPolarHBondContact CE-O 3.13Å; K68-D330 PolarHBondContact NZ-O 3.27Å; K68-A332 PolarHBondContact NZ-O 3.08Å; K68-W339 HydrophobicContact CB-CD2 4.13Å; K68-W339 HydrophobicContact CB-CZ2 4.02Å; K68-W339 HydrophobicContact CD-CH2 4.3Å; K68-W339 HydrophobicContact CD-CZ2 3.72Å; K68-W339 HydrophobicContact CG-CH2 3.98Å; K68-W339 HydrophobicContact CG-CZ2 3.7Å
69R86.3Confident90.2Very high44 Ų4443.4 Ų43.417%0.16620%0.196CC..Hα-helixtrans-63.1-45.3176.6-177178.2-179.5148.21.1112.1Y37 I65 F66 A67 R72 E73Y37-R69 VanDerWaalsContact CE1-NH1 3.34Å; Y37-R69 VanDerWaalsContact CZ-CZ 3.4Å; Y37-R69 PolarHBondContact OH-NH1 2.92Å; I65-R69 WeakPolarHBondContact O-CB 3.48Å; I65-R69 PolarHBondContact O-N 3.42Å; I65-R69 VanDerWaalsContact O-N 3.1Å; F66-R69 PolarHBondContact O-N 2.76Å; A67-R69 VanDerWaalsContact C-N 3.33Å; A67-R69 PolarHBondContact O-N 2.9Å; R69-R72 PolarHBondContact O-N 3.45Å; R69-E73 WeakPolarHBondContact O-CB 3.23Å; R69-E73 PolarHBondContact O-N 3.3Å
70A90.1Very high90.4Very high5 Ų534.1 Ų34.14%0.04116%0.161CC..Hα-helixtrans-62.9-43.5178.500000111.8L57 P60 F66 A67 E73 L74 F104L57-A70 HydrophobicContact CD1-CB 3.97Å; P60-A70 HydrophobicContact CB-CB 3.7Å; F66-A70 WeakPolarHBondContact O-CB 3.45Å; F66-A70 PolarHBondContact O-N 2.84Å; A67-A70 PolarHBondContact O-N 3.16Å; A70-E73 PolarHBondContact O-N 3.5Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 3.19Å; A70-F104 HydrophobicContact CB-CE1 4.2Å; A70-F104 HydrophobicContact CB-CZ 4Å
71Y92.1Very high90.5Very high4 Ų439.1 Ų39.12%0.01618%0.183CC..Hα-helixtrans-57.7-49.7173.6175.6-104.9000111.5A67 K68 L74 R75 H329 W339 L342 C343 E346A67-Y71 WeakPolarHBondContact O-CB 3.23Å; A67-Y71 PolarHBondContact O-N 3.33Å; K68-Y71 PolarHBondContact O-N 3.24Å; Y71-L74 PolarHBondContact O-N 2.91Å; Y71-R75 HydrophobicContact CD1-CG 4.2Å; Y71-R75 HydrophobicContact CD2-CG 4.24Å; Y71-R75 HydrophobicContact CE1-CG 3.76Å; Y71-R75 HydrophobicContact CE2-CG 3.78Å; Y71-R75 HydrophobicContact CG-CG 4.44Å; Y71-R75 WeakPolarHBondContact O-CG 3.46Å; Y71-R75 PolarHBondContact O-N 3.25Å; Y71-R75 PolarHBondContact OH-NH1 3.01Å; Y71-R75 VanDerWaalsContact OH-NH1 3.17Å; Y71-H329 HydrophobicContact CE1-CB 3.93Å; Y71-W339 AromaticContact CD1-CE3 3.9Å; Y71-W339 HydrophobicContact CD1-CE3 3.9Å; Y71-W339 HydrophobicContact CD1-CH2 4.47Å; Y71-W339 AromaticContact CD1-CZ3 3.42Å; Y71-W339 HydrophobicContact CD1-CZ3 3.42Å; Y71-W339 VanDerWaalsContact CD1-CZ3 3.42Å; Y71-W339 AromaticContact CE1-CZ3 3.85Å; Y71-W339 HydrophobicContact CE1-CZ3 3.85Å; Y71-W339 AromaticContact CG-CE3 3.9Å; Y71-W339 HydrophobicContact CG-CE3 3.9Å; Y71-W339 AromaticContact CG-CZ3 3.92Å; Y71-W339 HydrophobicContact CG-CZ3 3.92Å; Y71-L342 HydrophobicContact CD2-CB 3.83Å; Y71-L342 HydrophobicContact CE2-CB 3.62Å; Y71-L342 HydrophobicContact CE2-CD1 4.41Å; Y71-L342 HydrophobicContact CE2-CG 4.5Å; Y71-C343 VanDerWaalsContact CA-SG 3.55Å; Y71-C343 VanDerWaalsContact CB-SG 3.53Å; Y71-E346 HydrophobicContact CD2-CG 4.31Å; Y71-E346 HydrophobicContact CE2-CG 3.65Å
72R88.8Confident90.4Very high18 Ų1839 Ų397%0.06818%0.182CC..Hα-helixtrans-65-43.1-178.5-173.7164.789.2177.25112.4K68 R69 L74 R75 L76 L171 A172 D330K68-R72 WeakPolarHBondContact O-CB 3.41Å; K68-R72 PolarHBondContact O-N 3.06Å; R69-R72 PolarHBondContact O-N 3.45Å; R72-L74 VanDerWaalsContact C-N 3.3Å; R72-L74 PolarHBondContact O-N 3.49Å; R72-R75 PolarHBondContact O-N 3.47Å; R72-L76 HydrophobicContact CG-CD1 3.57Å; R72-L76 HydrophobicContact CG-CG 4.06Å; R72-L76 WeakPolarHBondContact O-CB 3.41Å; R72-L76 WeakPolarHBondContact O-CG 3.37Å; R72-L76 PolarHBondContact O-N 3.28Å; R72-L171 PolarHBondContact NH2-O 3.2Å; R72-A172 PolarHBondContact NE-O 3.49Å; R72-A172 PolarHBondContact NH1-O 2.86Å; R72-A172 VanDerWaalsContact NH1-O 3.13Å; R72-A172 VanDerWaalsContact NH2-N 3.14Å; R72-A172 PolarHBondContact NH2-O 3.44Å; R72-D330 WeakPolarHBondContact CD-OD1 3.2Å; R72-D330 WeakPolarHBondContact CD-OD2 3.35Å; R72-D330 IonicContact CZ-OD2 3.7Å; R72-D330 IonicContact NE-OD2 3.12Å; R72-D330 IonicContact NH1-OD2 2.67Å; R72-D330 PolarHBondContact NH1-OD2 3.25Å
73E89.4Confident90.5Very high13 Ų1335.4 Ų35.46%0.06117%0.167CC..Hα-helixtrans-57.3-46175.8-177172.5-175.300110.9K55 R69 A70 L77 L106K55-E73 VanDerWaalsContact NZ-CD 3.32Å; K55-E73 IonicContact NZ-OE1 2.72Å; K55-E73 PolarHBondContact NZ-OE1 3.3Å; K55-E73 IonicContact NZ-OE2 3.19Å; K55-E73 PolarHBondContact NZ-OE2 3.4Å; R69-E73 WeakPolarHBondContact O-CB 3.23Å; R69-E73 PolarHBondContact O-N 3.3Å; A70-E73 PolarHBondContact O-N 3.5Å; E73-L77 HydrophobicContact CG-CD1 3.88Å; E73-L77 HydrophobicContact CG-CG 4.47Å; E73-L77 WeakPolarHBondContact O-CB 3.38Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.11Å; E73-L77 PolarHBondContact O-N 3.45Å; E73-L106 HydrophobicContact CG-CD1 4.27Å
74L92.5Very high90.8Very high0 Ų033.8 Ų33.80%016%0.155CC..Hα-helixtrans-60.2-48.7175.7175.558.8000112.1A70 Y71 R72 L76 L77 K78 L88 V91 F104 L106 E346 V347A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 3.19Å; Y71-L74 PolarHBondContact O-N 2.91Å; R72-L74 VanDerWaalsContact C-N 3.3Å; R72-L74 PolarHBondContact O-N 3.49Å; L74-L76 PolarHBondContact O-N 3.3Å; L74-L77 PolarHBondContact O-N 2.99Å; L74-K78 HydrophobicContact CD1-CD 3.93Å; L74-K78 HydrophobicContact CD1-CG 4.1Å; L74-K78 HydrophobicContact CG-CD 4.16Å; L74-K78 WeakPolarHBondContact O-CB 3.48Å; L74-K78 VanDerWaalsContact O-CG 3.28Å; L74-K78 WeakPolarHBondContact O-CG 3.21Å; L74-K78 PolarHBondContact O-N 3.43Å; L74-L88 HydrophobicContact CD1-CD2 3.72Å; L74-V91 HydrophobicContact CD1-CB 4.37Å; L74-V91 HydrophobicContact CD1-CG1 4.4Å; L74-V91 HydrophobicContact CD1-CG2 3.91Å; L74-F104 HydrophobicContact CB-CE2 4.22Å; L74-F104 HydrophobicContact CB-CZ 4.48Å; L74-F104 HydrophobicContact CD2-CE2 4.14Å; L74-F104 HydrophobicContact CD2-CZ 4.42Å; L74-L106 HydrophobicContact CD1-CD2 3.76Å; L74-E346 HydrophobicContact CD2-CB 3.53Å; L74-E346 HydrophobicContact CG-CB 4.18Å; L74-V347 HydrophobicContact CD2-CG2 3.8Å
75R92.1Very high91Very high42 Ų4229.2 Ų29.216%0.15813%0.134CC..Hα-helixtrans-60.3-46.1-179.8-77.3-74.8-62.4-128.3-10.2112.4Y71 R72 K78 H79 Y325 D326 E346Y71-R75 HydrophobicContact CD1-CG 4.2Å; Y71-R75 HydrophobicContact CD2-CG 4.24Å; Y71-R75 HydrophobicContact CE1-CG 3.76Å; Y71-R75 HydrophobicContact CE2-CG 3.78Å; Y71-R75 HydrophobicContact CG-CG 4.44Å; Y71-R75 WeakPolarHBondContact O-CG 3.46Å; Y71-R75 PolarHBondContact O-N 3.25Å; Y71-R75 PolarHBondContact OH-NH1 3.01Å; Y71-R75 VanDerWaalsContact OH-NH1 3.17Å; R72-R75 PolarHBondContact O-N 3.47Å; R75-K78 PolarHBondContact O-N 3.26Å; R75-H79 WeakPolarHBondContact O-CB 3.31Å; R75-H79 PolarHBondContact O-N 3.4Å; R75-Y325 HydrophobicContact CB-CE2 4.19Å; R75-D326 PolarHBondContact NH2-O 2.78Å; R75-D326 IonicContact NH2-OD2 3.85Å; R75-D326 PolarHBondContact NH2-OD2 3.36Å; R75-E346 VanDerWaalsContact CD-OE1 3.23Å; R75-E346 WeakPolarHBondContact CD-OE1 3.29Å; R75-E346 HydrophobicContact CG-CG 4.44Å; R75-E346 IonicContact CZ-OE1 3.67Å; R75-E346 IonicContact NE-OE1 3.88Å; R75-E346 IonicContact NH1-OE1 2.83Å; R75-E346 PolarHBondContact NH1-OE1 3.44Å
76L90.8Very high91.3Very high1 Ų123 Ų231%0.00510%0.102CC..Hα-helixtrans-65.4-46.3179.1-71.1171.7000111R72 L74 K78 H79 M80 I146 F169 Y325R72-L76 HydrophobicContact CG-CD1 3.57Å; R72-L76 HydrophobicContact CG-CG 4.06Å; R72-L76 WeakPolarHBondContact O-CB 3.41Å; R72-L76 WeakPolarHBondContact O-CG 3.37Å; R72-L76 PolarHBondContact O-N 3.28Å; L74-L76 PolarHBondContact O-N 3.3Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.16Å; L76-H79 PolarHBondContact O-N 3.19Å; L76-M80 HydrophobicContact CD2-CE 4.3Å; L76-M80 VanDerWaalsContact O-CG 3.27Å; L76-M80 WeakPolarHBondContact O-CG 3.49Å; L76-M80 PolarHBondContact O-N 3.33Å; L76-I146 HydrophobicContact CD2-CD1 3.37Å; L76-I146 HydrophobicContact CD2-CG1 4.21Å; L76-F169 HydrophobicContact CB-CB 4.07Å; L76-F169 HydrophobicContact CB-CD2 4.46Å; L76-F169 HydrophobicContact CB-CG 4.26Å; L76-F169 HydrophobicContact CD1-CB 3.52Å; L76-F169 HydrophobicContact CD1-CG 4.29Å; L76-F169 HydrophobicContact CG-CB 4.39Å; L76-Y325 HydrophobicContact CD2-CD1 4.3Å; L76-Y325 HydrophobicContact CD2-CD2 3.87Å; L76-Y325 HydrophobicContact CD2-CE1 4.07Å; L76-Y325 HydrophobicContact CD2-CE2 3.6Å; L76-Y325 HydrophobicContact CD2-CG 4.22Å; L76-Y325 HydrophobicContact CG-CE2 4.17Å
77L92.4Very high91.6Very high4 Ų420.6 Ų20.62%0.0219%0.094CC..Hα-helixtrans-62.2-33.9176.9-71.4171.9000113.2E73 L74 I86 L88 L106 M108E73-L77 HydrophobicContact CG-CD1 3.88Å; E73-L77 HydrophobicContact CG-CG 4.47Å; E73-L77 WeakPolarHBondContact O-CB 3.38Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.11Å; E73-L77 PolarHBondContact O-N 3.45Å; L74-L77 PolarHBondContact O-N 2.99Å; L77-I86 HydrophobicContact CD2-CG2 3.68Å; L77-L88 HydrophobicContact CB-CB 4.1Å; L77-L88 HydrophobicContact CB-CD1 4.39Å; L77-L88 HydrophobicContact CD1-CD1 4.42Å; L77-L88 PolarHBondContact O-N 3.5Å; L77-L106 HydrophobicContact CD1-CD1 3.81Å; L77-L106 HydrophobicContact CD1-CD2 4.35Å; L77-M108 HydrophobicContact CD1-SD 4.35Å; L77-M108 HydrophobicContact CD2-SD 4.44Å
78K91.9Very high91.6Very high39 Ų3920.7 Ų20.717%0.1710%0.095CC..Hα-helixtrans-69.3-34.3173.3-75.4-178.666.9175.70112.6L74 R75 L76 L88 E346 S349 F350L74-K78 HydrophobicContact CD1-CD 3.93Å; L74-K78 HydrophobicContact CD1-CG 4.1Å; L74-K78 HydrophobicContact CG-CD 4.16Å; L74-K78 WeakPolarHBondContact O-CB 3.48Å; L74-K78 VanDerWaalsContact O-CG 3.28Å; L74-K78 WeakPolarHBondContact O-CG 3.21Å; L74-K78 PolarHBondContact O-N 3.43Å; R75-K78 PolarHBondContact O-N 3.26Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.16Å; K78-L88 HydrophobicContact CD-CD2 4.49Å; K78-L88 HydrophobicContact CG-CD2 3.59Å; K78-E346 PolarHBondContact NZ-O 2.95Å; K78-E346 IonicContact NZ-OE2 3.77Å; K78-E346 PolarHBondContact NZ-OE2 3.1Å; K78-S349 PolarHBondContact NZ-OG 2.83Å; K78-F350 HydrophobicContact CD-CD2 4.17Å; K78-F350 HydrophobicContact CG-CD2 3.93Å; K78-F350 HydrophobicContact CG-CE2 4.3Å
79H91.7Very high91.8Very high33 Ų3320.1 Ų20.115%0.1539%0.093CC..Hα-helixtrans-79.6-37.5-175.9-175.285.8000112.8R75 L76 K81 T323 P324 Y325R75-H79 WeakPolarHBondContact O-CB 3.31Å; R75-H79 PolarHBondContact O-N 3.4Å; L76-H79 PolarHBondContact O-N 3.19Å; H79-K81 PolarHBondContact O-N 2.92Å; H79-T323 PolarHBondContact CE1-O 2.85Å; H79-T323 PolarHBondContact CE1-OG1 2.86Å; H79-T323 VanDerWaalsContact CE1-OG1 3.28Å; H79-T323 PolarHBondContact NE2-O 3.05Å; H79-P324 PolarHBondContact CE1-O 3.4Å; H79-Y325 HydrophobicContact CB-CD2 4.17Å; H79-Y325 AromaticContact CG-CD2 3.91Å
80M91.7Very high92.2Very high0 Ų019.2 Ų19.20%09%0.091CC..  trans-72121.8-175-66.1-59.9166.400112.7L76 V85 Y140 I141 I146 F169L76-M80 HydrophobicContact CD2-CE 4.3Å; L76-M80 VanDerWaalsContact O-CG 3.27Å; L76-M80 WeakPolarHBondContact O-CG 3.49Å; L76-M80 PolarHBondContact O-N 3.33Å; M80-V85 HydrophobicContact CB-CG1 3.77Å; M80-V85 HydrophobicContact CG-CG1 3.82Å; M80-V85 HydrophobicContact SD-CG1 4.18Å; M80-Y140 HydrophobicContact SD-CD1 4.05Å; M80-Y140 HydrophobicContact SD-CE1 3.81Å; M80-I141 HydrophobicContact CE-CG1 4.33Å; M80-I141 HydrophobicContact SD-CG1 4.22Å; M80-I146 HydrophobicContact CE-CD1 3.25Å; M80-F169 HydrophobicContact CE-CE1 4.19Å; M80-F169 HydrophobicContact CE-CZ 4.38Å; M80-F169 HydrophobicContact CG-CE2 4.09Å; M80-F169 HydrophobicContact CG-CZ 4.04Å; M80-F169 HydrophobicContact SD-CZ 4.49Å
81K91.9Very high92.5Very high109 Ų10919.4 Ų19.447%0.4749%0.092SC..  trans-134.662-178.2-64.4179.1-177173.90111.2H79 Y140 F353H79-K81 PolarHBondContact O-N 2.92Å; K81-Y140 PolarHBondContact N-OH 3.12Å; K81-F353 HydrophobicContact CG-CD2 4.3Å; K81-F353 HydrophobicContact CG-CE1 4.41Å; K81-F353 HydrophobicContact CG-CE2 4.03Å; K81-F353 HydrophobicContact CG-CZ 4.09Å
82H92.7Very high92.7Very high17 Ų1720 Ų208%0.0799%0.094CC..  trans-134.5147.3-178.1-173.6-92.7000111.6N84 V85 Y140 D318H82-N84 VanDerWaalsContact C-N 3.3Å; H82-N84 PolarHBondContact CE1-OD1 2.91Å; H82-N84 PolarHBondContact ND1-N 3.1Å; H82-N84 PolarHBondContact O-N 3.18Å; H82-V85 HydrophobicContact CB-CB 4Å; H82-V85 HydrophobicContact CB-CG2 3.88Å; H82-V85 PolarHBondContact O-N 2.87Å; H82-Y140 HydrophobicContact CB-CD1 3.78Å; H82-Y140 HydrophobicContact CB-CD2 3.96Å; H82-Y140 HydrophobicContact CB-CE1 4.11Å; H82-Y140 HydrophobicContact CB-CE2 4.24Å; H82-Y140 HydrophobicContact CB-CG 3.71Å; H82-Y140 AromaticContact CD2-CD2 3.72Å; H82-Y140 AromaticContact CD2-CG 3.85Å; H82-Y140 AromaticContact CG-CG 3.89Å; H82-D318 PolarHBondContact NE2-O 3.43Å
83V93.1Very high93Very high27 Ų2719.8 Ų19.816%0.16410%0.095CC..THydrogen-bonded Turntrans-64.1-35-176.6-62.30000112.4K165 R356V83-K165 PolarHBondContact O-NZ 3.33Å; V83-R356 HydrophobicContact CG1-CB 4.17Å; V83-R356 WeakPolarHBondContact CG1-O 3.32Å
84N95.4Very high93.2Very high9 Ų920.6 Ų20.65%0.04810%0.102CC..THydrogen-bonded Turntrans-95.714.2177.9-52.7116000115H82 Q133 L164 K165 I166H82-N84 VanDerWaalsContact C-N 3.3Å; H82-N84 PolarHBondContact CE1-OD1 2.91Å; H82-N84 PolarHBondContact ND1-N 3.1Å; H82-N84 PolarHBondContact O-N 3.18Å; N84-Q133 HydrophobicContact CB-CB 4.49Å; N84-Q133 VanDerWaalsContact CB-O 3.24Å; N84-Q133 WeakPolarHBondContact CB-O 3.48Å; N84-Q133 WeakPolarHBondContact ND2-CB 3.43Å; N84-Q133 WeakPolarHBondContact ND2-CG 3.46Å; N84-Q133 PolarHBondContact ND2-OE1 2.92Å; N84-Q133 VanDerWaalsContact ND2-OE1 3.16Å; N84-L164 VanDerWaalsContact CA-O 3.26Å; N84-L164 WeakPolarHBondContact CA-O 3.19Å; N84-L164 PolarHBondContact ND2-O 3.11Å; N84-K165 WeakPolarHBondContact O-CA 3.29Å; N84-I166 PolarHBondContact O-N 3.11Å
85V94.7Very high93.3Very high2 Ų220.9 Ų20.91%0.01210%0.104CC..BIsolated β-bridgetrans-126136.2176.7-177.50000109.1M80 H82 G87 I141 F169M80-V85 HydrophobicContact CB-CG1 3.77Å; M80-V85 HydrophobicContact CG-CG1 3.82Å; M80-V85 HydrophobicContact SD-CG1 4.18Å; H82-V85 HydrophobicContact CB-CB 4Å; H82-V85 HydrophobicContact CB-CG2 3.88Å; H82-V85 PolarHBondContact O-N 2.87Å; V85-G87 PolarHBondContact O-N 3.37Å; V85-I141 HydrophobicContact CG1-CD1 4.31Å; V85-I141 HydrophobicContact CG1-CG1 4.4Å; V85-I141 HydrophobicContact CG2-CD1 3.87Å; V85-I141 HydrophobicContact CG2-CG1 3.95Å; V85-F169 HydrophobicContact CG1-CE2 3.81Å; V85-F169 HydrophobicContact CG1-CZ 3.4Å; V85-F169 VanDerWaalsContact CG1-CZ 3.4Å
86I92.9Very high93.1Very high5 Ų522.6 Ų22.63%0.02612%0.122CC..  trans-67.3130176.1-15969.9000110.1L77 M108 P109 K165 I166 L167 F169L77-I86 HydrophobicContact CD2-CG2 3.68Å; I86-M108 HydrophobicContact CD1-CB 4.19Å; I86-M108 HydrophobicContact CG1-CB 4.17Å; I86-M108 HydrophobicContact CG1-CG 4.24Å; I86-M108 HydrophobicContact CG1-SD 4.1Å; I86-P109 HydrophobicContact CD1-CB 4.38Å; I86-P109 HydrophobicContact CD1-CG 4.26Å; I86-K165 HydrophobicContact CD1-CB 4.45Å; I86-K165 HydrophobicContact CD1-CD 3.84Å; I86-I166 WeakPolarHBondContact CB-O 3.48Å; I86-I166 VanDerWaalsContact CG2-O 3.26Å; I86-I166 WeakPolarHBondContact CG2-O 3.33Å; I86-I166 PolarHBondContact N-O 3.1Å; I86-L167 HydrophobicContact CB-CD2 3.74Å; I86-L167 HydrophobicContact CD1-CD2 4.07Å; I86-L167 HydrophobicContact CG1-CD2 3.9Å; I86-L167 HydrophobicContact CG2-CD2 4Å; I86-F169 HydrophobicContact CG2-CE2 4.18Å
87G91.9Very high93.3Very high9 Ų924.6 Ų24.69%0.09314%0.136CC..  trans-126.1167177.200000111.2V85 P109V85-G87 PolarHBondContact O-N 3.37Å; G87-P109 WeakPolarHBondContact O-CD 3.19Å
88L93Very high93.3Very high1 Ų126.4 Ų26.41%0.00515%0.145CC..  trans-85.6128.7-178.9-157.160.7000111.4L74 L77 K78 D90 V91 L106 F350 F353L74-L88 HydrophobicContact CD1-CD2 3.72Å; L77-L88 HydrophobicContact CB-CB 4.1Å; L77-L88 HydrophobicContact CB-CD1 4.39Å; L77-L88 HydrophobicContact CD1-CD1 4.42Å; L77-L88 PolarHBondContact O-N 3.5Å; K78-L88 HydrophobicContact CD-CD2 4.49Å; K78-L88 HydrophobicContact CG-CD2 3.59Å; L88-D90 WeakPolarHBondContact CD1-O 3.2Å; L88-D90 WeakPolarHBondContact CG-O 3.48Å; L88-V91 HydrophobicContact CD2-CB 3.9Å; L88-V91 HydrophobicContact CD2-CG1 4Å; L88-V91 HydrophobicContact CG-CB 4.47Å; L88-L106 HydrophobicContact CD1-CB 3.92Å; L88-L106 HydrophobicContact CD1-CD2 3.71Å; L88-L106 HydrophobicContact CD1-CG 4.44Å; L88-L106 HydrophobicContact CD2-CD2 4.39Å; L88-F350 HydrophobicContact CB-CE2 4Å; L88-F350 HydrophobicContact CB-CZ 4.37Å; L88-F350 HydrophobicContact CD2-CD2 3.9Å; L88-F350 HydrophobicContact CD2-CE2 3.73Å; L88-F350 HydrophobicContact CD2-CZ 4.43Å; L88-F350 HydrophobicContact CG-CE2 3.96Å; L88-F350 HydrophobicContact CG-CZ 4.25Å; L88-F353 WeakPolarHBondContact O-CE1 3.37Å
89Q93.3Very high93.3Very high41 Ų4130.8 Ų30.819%0.19217%0.171CC..SBendtrans-93.1-37.2171-65.4-167.6-92.100112.8V107 M108 P109 F350 R355Q89-V107 HydrophobicContact CB-CG1 4.37Å; Q89-V107 PolarHBondContact N-O 2.63Å; Q89-M108 VanDerWaalsContact OE1-C 3.26Å; Q89-M108 PolarHBondContact OE1-O 2.87Å; Q89-P109 HydrophobicContact CG-CG 4.28Å; Q89-F350 WeakPolarHBondContact O-CE1 3.42Å; Q89-R355 VanDerWaalsContact CD-CZ 3.48Å
90D94.5Very high93.3Very high25 Ų2532.8 Ų32.813%0.13418%0.182CC..EExtended strand (participates in β ladder)trans-154.7157.6178.8-160.37.6000109.5K25 Y26 L88 V107K25-D90 IonicContact NZ-OD2 2.63Å; K25-D90 PolarHBondContact NZ-OD2 3.48Å; Y26-D90 WeakPolarHBondContact OH-CB 3.49Å; Y26-D90 PolarHBondContact OH-OD2 3.39Å; L88-D90 WeakPolarHBondContact CD1-O 3.2Å; L88-D90 WeakPolarHBondContact CG-O 3.48Å; D90-V107 HydrophobicContact CB-CB 3.76Å; D90-V107 HydrophobicContact CB-CG1 4.4Å; D90-V107 HydrophobicContact CB-CG2 3.83Å; D90-V107 PolarHBondContact N-O 2.94Å; D90-V107 WeakPolarHBondContact O-CB 3.46Å; D90-V107 PolarHBondContact O-N 3.31Å
91V96.4Very high93.5Very high9 Ų932.8 Ų32.86%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-145.9135.1171.557.90000108.9L74 L88 F104 Y105 L106 V347 F350L74-V91 HydrophobicContact CD1-CB 4.37Å; L74-V91 HydrophobicContact CD1-CG1 4.4Å; L74-V91 HydrophobicContact CD1-CG2 3.91Å; L88-V91 HydrophobicContact CD2-CB 3.9Å; L88-V91 HydrophobicContact CD2-CG1 4Å; L88-V91 HydrophobicContact CG-CB 4.47Å; V91-F104 HydrophobicContact CG2-CD2 4.12Å; V91-Y105 WeakPolarHBondContact CA-O 3.5Å; V91-Y105 WeakPolarHBondContact CG2-O 3.42Å; V91-L106 HydrophobicContact CG2-CD2 4.06Å; V91-V347 HydrophobicContact CG2-CB 4.35Å; V91-V347 HydrophobicContact CG2-CG1 4.12Å; V91-V347 HydrophobicContact CG2-CG2 3.81Å; V91-F350 HydrophobicContact CG1-CB 3.33Å; V91-F350 HydrophobicContact CG1-CD1 3.9Å; V91-F350 HydrophobicContact CG1-CD2 3.94Å; V91-F350 HydrophobicContact CG1-CG 3.44Å; V91-F350 VanDerWaalsContact CG1-CG 3.44Å
92F96Very high93.5Very high15 Ų1533.3 Ų33.37%0.06619%0.187CC..EExtended strand (participates in β ladder)trans-147.5162.5-177.161.5-99.4000112F10 V22 P23 Y26 I54 F104 Y105 V107F10-F92 AromaticContact CE1-CD2 3.75Å; F10-F92 HydrophobicContact CE1-CD2 3.75Å; F10-F92 HydrophobicContact CE1-CE2 4.24Å; F10-F92 HydrophobicContact CZ-CD2 4.38Å; V22-F92 HydrophobicContact CB-CE2 4.21Å; V22-F92 HydrophobicContact CB-CZ 4.06Å; V22-F92 HydrophobicContact CG1-CE2 4.06Å; V22-F92 HydrophobicContact CG1-CZ 3.89Å; P23-F92 VanDerWaalsContact CD-CZ 3.43Å; P23-F92 HydrophobicContact CG-CB 4.49Å; P23-F92 HydrophobicContact CG-CD1 4.07Å; P23-F92 HydrophobicContact CG-CD2 4.06Å; P23-F92 HydrophobicContact CG-CE1 4.25Å; P23-F92 HydrophobicContact CG-CE2 4.24Å; P23-F92 HydrophobicContact CG-CG 3.95Å; P23-F92 HydrophobicContact CG-CZ 4.34Å; Y26-F92 AromaticContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CZ 4.38Å; Y26-F92 HydrophobicContact CE2-CD1 4.08Å; Y26-F92 AromaticContact CE2-CE1 3.6Å; Y26-F92 HydrophobicContact CE2-CE1 3.6Å; Y26-F92 HydrophobicContact CE2-CZ 4.47Å; I54-F92 HydrophobicContact CG2-CE1 4.34Å; I54-F92 HydrophobicContact CG2-CZ 4.05Å; F92-F104 CarbonylContact O-C 3.59Å; F92-F104 WeakPolarHBondContact O-CA 3.5Å; F92-F104 WeakPolarHBondContact O-CB 3.16Å; F92-Y105 AromaticContact CD2-CD2 3.76Å; F92-Y105 HydrophobicContact CD2-CD2 3.76Å; F92-Y105 AromaticContact CD2-CG 3.96Å; F92-Y105 HydrophobicContact CD2-CG 3.96Å; F92-Y105 AromaticContact CE2-CD1 4Å; F92-Y105 HydrophobicContact CE2-CD1 4Å; F92-Y105 AromaticContact CE2-CD2 3.41Å; F92-Y105 HydrophobicContact CE2-CD2 3.41Å; F92-Y105 VanDerWaalsContact CE2-CD2 3.41Å; F92-Y105 HydrophobicContact CE2-CE2 4.2Å; F92-Y105 AromaticContact CE2-CG 3.3Å; F92-Y105 HydrophobicContact CE2-CG 3.3Å; F92-Y105 HydrophobicContact CZ-CD1 4.15Å; F92-Y105 HydrophobicContact CZ-CD2 4.29Å; F92-Y105 AromaticContact CZ-CG 3.71Å; F92-Y105 HydrophobicContact CZ-CG 3.71Å; F92-Y105 PolarHBondContact N-O 3Å; F92-Y105 VanDerWaalsContact N-O 3.15Å; F92-Y105 PolarHBondContact O-N 3.36Å; F92-V107 HydrophobicContact CD1-CG2 3.99Å; F92-V107 HydrophobicContact CE1-CG2 3.53Å
93T95.7Very high93.4Very high14 Ų1433.8 Ų33.89%0.08619%0.19CC..  trans-140.6142.8169.4178.90000108.2F10 A95 F101 D103 V347F10-T93 WeakPolarHBondContact CZ-O 3.42Å; T93-A95 HydrophobicContact CG2-CB 4.07Å; T93-A95 PolarHBondContact O-N 3.2Å; T93-A95 WeakPolarHBondContact OG1-CB 3.46Å; T93-A95 PolarHBondContact OG1-N 2.83Å; T93-F101 HydrophobicContact CG2-CD2 3.96Å; T93-F101 HydrophobicContact CG2-CE2 3.91Å; T93-D103 WeakPolarHBondContact CB-O 3.45Å; T93-D103 PolarHBondContact OG1-O 3.19Å; T93-V347 HydrophobicContact CG2-CG1 4.08Å
94P93.4Very high93.5Very high30 Ų3032.5 Ų32.520%0.19518%0.182CC..SBendtrans-68.9-12.8170.330.3-36.3000112.3F10 E21 C96F10-P94 HydrophobicContact CD1-CB 4.05Å; F10-P94 HydrophobicContact CE1-CB 4.15Å; F10-P94 HydrophobicContact CG-CB 4.46Å; E21-P94 HydrophobicContact CB-CB 4.05Å; E21-P94 HydrophobicContact CB-CG 4.03Å; P94-C96 PolarHBondContact O-N 3.16Å
95A92.9Very high93.6Very high6 Ų632.1 Ų32.15%0.0518%0.18CC..  trans-65.8122.3-176.700000113.1T93 S97 N100 F101T93-A95 HydrophobicContact CG2-CB 4.07Å; T93-A95 PolarHBondContact O-N 3.2Å; T93-A95 WeakPolarHBondContact OG1-CB 3.46Å; T93-A95 PolarHBondContact OG1-N 2.83Å; A95-S97 VanDerWaalsContact C-N 3.32Å; A95-S97 PolarHBondContact O-N 3.35Å; A95-N100 WeakPolarHBondContact CB-O 3.39Å; A95-F101 HydrophobicContact CB-CB 4.07Å; A95-F101 HydrophobicContact CB-CD2 4.04Å
96C89.5Confident93.7Very high79 Ų7932 Ų3253%0.53418%0.179SC..SBendtrans-77-14.9177.8-68.30000114.7R7 P94 N100R7-C96 VanDerWaalsContact NH1-C 3.31Å; R7-C96 PolarHBondContact NH1-O 2.69Å; R7-C96 PolarHBondContact NH2-O 3.19Å; P94-C96 PolarHBondContact O-N 3.16Å; C96-N100 PolarHBondContact N-ND2 2.71Å; C96-N100 PolarHBondContact N-OD1 3.31Å
97S93.9Very high93.8Very high43 Ų4331.8 Ų31.830%0.30118%0.178SC..SBendtrans-150.7172.7-173.965.30000110.2A95 D99 N100 F101 Y344A95-S97 VanDerWaalsContact C-N 3.32Å; A95-S97 PolarHBondContact O-N 3.35Å; S97-D99 VanDerWaalsContact C-N 3.28Å; S97-D99 PolarHBondContact O-N 3.31Å; S97-D99 PolarHBondContact OG-N 2.6Å; S97-N100 WeakPolarHBondContact CA-OD1 3.41Å; S97-N100 PolarHBondContact N-OD1 3.33Å; S97-N100 PolarHBondContact O-OD1 3.45Å; S97-N100 PolarHBondContact OG-OD1 2.94Å; S97-F101 PolarHBondContact O-N 2.76Å; S97-Y344 WeakPolarHBondContact CA-OH 3.38Å
98L93.1Very high93.9Very high42 Ų4232.3 Ų32.322%0.2218%0.178CC..SBendtrans-65.2-34.2171.9179.367.4000112N100 F101 R340 R341 Y344L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.46Å; L98-F101 VanDerWaalsContact O-CB 3.31Å; L98-F101 WeakPolarHBondContact O-CB 3.45Å; L98-F101 PolarHBondContact O-N 2.78Å; L98-F101 VanDerWaalsContact O-N 3.13Å; L98-R340 HydrophobicContact CD1-CG 4.3Å; L98-R340 PolarHBondContact O-NH1 2.96Å; L98-R341 HydrophobicContact CD1-CG 3.98Å; L98-R341 HydrophobicContact CD2-CG 3.47Å; L98-R341 VanDerWaalsContact CD2-CG 3.47Å; L98-R341 HydrophobicContact CG-CG 4.35Å; L98-Y344 HydrophobicContact CB-CD1 4.28Å; L98-Y344 HydrophobicContact CB-CE1 4.38Å; L98-Y344 HydrophobicContact CD1-CD1 4.21Å; L98-Y344 HydrophobicContact CD1-CG 4Å
99D92.1Very high93.9Very high131 Ų13133 Ų3370%0.70118%0.183SC*.THydrogen-bonded Turntrans-66.2-35.5-173.6-64.1-26.7000112.2S97S97-D99 VanDerWaalsContact C-N 3.28Å; S97-D99 PolarHBondContact O-N 3.31Å; S97-D99 PolarHBondContact OG-N 2.6Å
100N92Very high93.9Very high75 Ų7533.8 Ų33.840%0.40119%0.185SC..THydrogen-bonded Turntrans-97.111.7175.366.2-7.5000114A95 C96 S97 L98 Q102A95-N100 WeakPolarHBondContact CB-O 3.39Å; C96-N100 PolarHBondContact N-ND2 2.71Å; C96-N100 PolarHBondContact N-OD1 3.31Å; S97-N100 WeakPolarHBondContact CA-OD1 3.41Å; S97-N100 PolarHBondContact N-OD1 3.33Å; S97-N100 PolarHBondContact O-OD1 3.45Å; S97-N100 PolarHBondContact OG-OD1 2.94Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.46Å; N100-Q102 PolarHBondContact O-N 2.75Å; N100-Q102 VanDerWaalsContact O-N 3.16Å
101F94.8Very high93.7Very high0 Ų033.8 Ų33.80%018%0.184CC..  trans-76.9100.9177-176.3-127.5000111.4F61 T93 A95 S97 L98 D103 F104 R340 C343 Y344 V347F61-F101 HydrophobicContact CE1-CE1 4.2Å; F61-F101 AromaticContact CE2-CD1 3.75Å; F61-F101 HydrophobicContact CE2-CD1 3.75Å; F61-F101 AromaticContact CE2-CE1 3.55Å; F61-F101 HydrophobicContact CE2-CE1 3.55Å; F61-F101 HydrophobicContact CE2-CG 4.34Å; F61-F101 AromaticContact CE2-CZ 3.97Å; F61-F101 HydrophobicContact CE2-CZ 3.97Å; F61-F101 AromaticContact CZ-CD1 3.85Å; F61-F101 HydrophobicContact CZ-CD1 3.85Å; F61-F101 AromaticContact CZ-CE1 3.2Å; F61-F101 HydrophobicContact CZ-CE1 3.2Å; F61-F101 AromaticContact CZ-CZ 3.67Å; F61-F101 HydrophobicContact CZ-CZ 3.67Å; T93-F101 HydrophobicContact CG2-CD2 3.96Å; T93-F101 HydrophobicContact CG2-CE2 3.91Å; A95-F101 HydrophobicContact CB-CB 4.07Å; A95-F101 HydrophobicContact CB-CD2 4.04Å; S97-F101 PolarHBondContact O-N 2.76Å; L98-F101 VanDerWaalsContact O-CB 3.31Å; L98-F101 WeakPolarHBondContact O-CB 3.45Å; L98-F101 PolarHBondContact O-N 2.78Å; L98-F101 VanDerWaalsContact O-N 3.13Å; F101-D103 WeakPolarHBondContact CE2-O 3.35Å; F101-F104 HydrophobicContact CE2-CB 4Å; F101-F104 HydrophobicContact CE2-CD1 4.17Å; F101-F104 HydrophobicContact CE2-CG 4.5Å; F101-F104 HydrophobicContact CZ-CB 4.29Å; F101-F104 AromaticContact CZ-CD1 3.71Å; F101-F104 HydrophobicContact CZ-CD1 3.71Å; F101-F104 HydrophobicContact CZ-CE1 4.41Å; F101-F104 HydrophobicContact CZ-CG 4.32Å; F101-R340 HydrophobicContact CD1-CG 3.68Å; F101-R340 HydrophobicContact CE1-CG 4.27Å; F101-R340 WeakPolarHBondContact CE1-O 3.49Å; F101-C343 HydrophobicContact CE1-CB 3.81Å; F101-C343 HydrophobicContact CZ-CB 4.15Å; F101-Y344 HydrophobicContact CB-CD2 3.89Å; F101-Y344 HydrophobicContact CB-CE2 4.29Å; F101-Y344 AromaticContact CD1-CD2 3.85Å; F101-Y344 HydrophobicContact CD1-CD2 3.85Å; F101-Y344 HydrophobicContact CD1-CG 4.24Å; F101-Y344 AromaticContact CD2-CD2 3.74Å; F101-Y344 HydrophobicContact CD2-CD2 3.74Å; F101-Y344 HydrophobicContact CD2-CE2 4.32Å; F101-Y344 HydrophobicContact CE1-CD2 4.27Å; F101-Y344 HydrophobicContact CE2-CD2 4.17Å; F101-Y344 AromaticContact CG-CD2 3.57Å; F101-Y344 HydrophobicContact CG-CD2 3.57Å; F101-Y344 HydrophobicContact CG-CE2 4.31Å; F101-Y344 HydrophobicContact CG-CG 4.37Å; F101-Y344 HydrophobicContact CZ-CD2 4.43Å; F101-V347 HydrophobicContact CZ-CG2 4.31Å
102Q91.7Very high93.3Very high120 Ų12039 Ų3956%0.56120%0.204SC*.  trans-114.3-35.5-176.1-64.9-62.8-25.500113F61 N100F61-Q102 WeakPolarHBondContact CD2-O 3.29Å; N100-Q102 PolarHBondContact O-N 2.75Å; N100-Q102 VanDerWaalsContact O-N 3.16Å
103D91.3Very high93.1Very high27 Ų2740 Ų4014%0.14421%0.211CC..  trans-145.7166.5178.160.320000111.7K56 T93 F101K56-D103 WeakPolarHBondContact CE-OD2 3.44Å; K56-D103 IonicContact NZ-OD2 2.97Å; K56-D103 PolarHBondContact NZ-OD2 3.34Å; T93-D103 WeakPolarHBondContact CB-O 3.45Å; T93-D103 PolarHBondContact OG1-O 3.19Å; F101-D103 WeakPolarHBondContact CE2-O 3.35Å
104F95.8Very high92.9Very high0 Ų040.2 Ų40.20%021%0.212CC..  trans-148.1163.517262.4-84.5000110L57 P60 F61 A70 L74 V91 F92 F101 L106 C343 V347L57-F104 HydrophobicContact CD1-CD1 4.24Å; L57-F104 HydrophobicContact CD1-CD2 3.99Å; L57-F104 HydrophobicContact CD1-CE1 3.64Å; L57-F104 HydrophobicContact CD1-CE2 3.35Å; L57-F104 HydrophobicContact CD1-CG 4.41Å; L57-F104 HydrophobicContact CD1-CZ 3.17Å; L57-F104 PolarHBondContact N-O 3.03Å; P60-F104 HydrophobicContact CB-CE1 4.31Å; P60-F104 HydrophobicContact CG-CD1 4.39Å; P60-F104 HydrophobicContact CG-CE1 4.27Å; F61-F104 HydrophobicContact CZ-CD1 4.16Å; F61-F104 HydrophobicContact CZ-CE1 4.01Å; A70-F104 HydrophobicContact CB-CE1 4.2Å; A70-F104 HydrophobicContact CB-CZ 4Å; L74-F104 HydrophobicContact CB-CE2 4.22Å; L74-F104 HydrophobicContact CB-CZ 4.48Å; L74-F104 HydrophobicContact CD2-CE2 4.14Å; L74-F104 HydrophobicContact CD2-CZ 4.42Å; V91-F104 HydrophobicContact CG2-CD2 4.12Å; F92-F104 CarbonylContact O-C 3.59Å; F92-F104 WeakPolarHBondContact O-CA 3.5Å; F92-F104 WeakPolarHBondContact O-CB 3.16Å; F101-F104 HydrophobicContact CE2-CB 4Å; F101-F104 HydrophobicContact CE2-CD1 4.17Å; F101-F104 HydrophobicContact CE2-CG 4.5Å; F101-F104 HydrophobicContact CZ-CB 4.29Å; F101-F104 AromaticContact CZ-CD1 3.71Å; F101-F104 HydrophobicContact CZ-CD1 3.71Å; F101-F104 HydrophobicContact CZ-CE1 4.41Å; F101-F104 HydrophobicContact CZ-CG 4.32Å; F104-L106 HydrophobicContact CD2-CD2 4.17Å; F104-L106 HydrophobicContact CD2-CG 4.4Å; F104-L106 HydrophobicContact CE2-CD2 3.95Å; F104-L106 HydrophobicContact CE2-CG 4.26Å; F104-C343 HydrophobicContact CE1-CB 4.41Å; F104-V347 HydrophobicContact CB-CG2 4.13Å; F104-V347 HydrophobicContact CD2-CG2 4.15Å; F104-V347 HydrophobicContact CG-CG2 4.1Å
105Y96.6Very high92.8Very high0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-123.3134.7-171.5-63.2-102.8000109.6W20 E21 V22 I54 K55 K56 V91 F92W20-Y105 HydrophobicContact CD2-CE1 4.2Å; W20-Y105 AromaticContact CE3-CD1 3.92Å; W20-Y105 HydrophobicContact CE3-CD1 3.92Å; W20-Y105 AromaticContact CE3-CE1 3.51Å; W20-Y105 HydrophobicContact CE3-CE1 3.51Å; W20-Y105 AromaticContact CZ3-CD1 3.91Å; W20-Y105 HydrophobicContact CZ3-CD1 3.91Å; W20-Y105 AromaticContact CZ3-CE1 3.92Å; W20-Y105 HydrophobicContact CZ3-CE1 3.92Å; E21-Y105 PolarHBondContact N-OH 3.41Å; E21-Y105 VanDerWaalsContact N-OH 3.1Å; E21-Y105 WeakPolarHBondContact O-CE2 3.42Å; V22-Y105 HydrophobicContact CG1-CD1 4.36Å; V22-Y105 HydrophobicContact CG1-CE1 4.19Å; I54-Y105 HydrophobicContact CG2-CD1 4.06Å; K55-Y105 WeakPolarHBondContact O-CA 3.47Å; K56-Y105 HydrophobicContact CB-CD1 3.77Å; K56-Y105 HydrophobicContact CB-CE1 3.57Å; K56-Y105 HydrophobicContact CD-CE1 3.64Å; K56-Y105 WeakPolarHBondContact CD-OH 3.28Å; K56-Y105 WeakPolarHBondContact CE-OH 3.44Å; K56-Y105 HydrophobicContact CG-CD1 4.02Å; K56-Y105 HydrophobicContact CG-CE1 3.48Å; K56-Y105 VanDerWaalsContact CG-CE1 3.48Å; K56-Y105 PolarHBondContact NZ-OH 3.49Å; V91-Y105 WeakPolarHBondContact CA-O 3.5Å; V91-Y105 WeakPolarHBondContact CG2-O 3.42Å; F92-Y105 AromaticContact CD2-CD2 3.76Å; F92-Y105 HydrophobicContact CD2-CD2 3.76Å; F92-Y105 AromaticContact CD2-CG 3.96Å; F92-Y105 HydrophobicContact CD2-CG 3.96Å; F92-Y105 AromaticContact CE2-CD1 4Å; F92-Y105 HydrophobicContact CE2-CD1 4Å; F92-Y105 AromaticContact CE2-CD2 3.41Å; F92-Y105 HydrophobicContact CE2-CD2 3.41Å; F92-Y105 VanDerWaalsContact CE2-CD2 3.41Å; F92-Y105 HydrophobicContact CE2-CE2 4.2Å; F92-Y105 AromaticContact CE2-CG 3.3Å; F92-Y105 HydrophobicContact CE2-CG 3.3Å; F92-Y105 HydrophobicContact CZ-CD1 4.15Å; F92-Y105 HydrophobicContact CZ-CD2 4.29Å; F92-Y105 AromaticContact CZ-CG 3.71Å; F92-Y105 HydrophobicContact CZ-CG 3.71Å; F92-Y105 PolarHBondContact N-O 3Å; F92-Y105 VanDerWaalsContact N-O 3.15Å; F92-Y105 PolarHBondContact O-N 3.36Å
106L95.7Very high92.7Very high0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-107121.6178.9-60.2167.3000108.8I54 K55 L57 E73 L74 L77 L88 V91 F104I54-L106 CarbonylContact C-O 3.55Å; I54-L106 WeakPolarHBondContact CA-O 3.39Å; K55-L106 HydrophobicContact CB-CB 4.37Å; K55-L106 PolarHBondContact N-O 3.46Å; K55-L106 PolarHBondContact O-N 2.83Å; L57-L106 HydrophobicContact CD1-CD1 4.41Å; L57-L106 HydrophobicContact CD2-CD1 4.45Å; L57-L106 HydrophobicContact CG-CD1 4.48Å; E73-L106 HydrophobicContact CG-CD1 4.27Å; L74-L106 HydrophobicContact CD1-CD2 3.76Å; L77-L106 HydrophobicContact CD1-CD1 3.81Å; L77-L106 HydrophobicContact CD1-CD2 4.35Å; L88-L106 HydrophobicContact CD1-CB 3.92Å; L88-L106 HydrophobicContact CD1-CD2 3.71Å; L88-L106 HydrophobicContact CD1-CG 4.44Å; L88-L106 HydrophobicContact CD2-CD2 4.39Å; V91-L106 HydrophobicContact CG2-CD2 4.06Å; F104-L106 HydrophobicContact CD2-CD2 4.17Å; F104-L106 HydrophobicContact CD2-CG 4.4Å; F104-L106 HydrophobicContact CE2-CD2 3.95Å; F104-L106 HydrophobicContact CE2-CG 4.26Å
107V95.8Very high92.6Very high0 Ų044.7 Ų44.70%023%0.228CC..EExtended strand (participates in β ladder)trans-101.9125.1176.9-172.30000109.2Y26 V52 A53 I54 Q89 D90 F92Y26-V107 HydrophobicContact CE1-CG1 4.09Å; Y26-V107 HydrophobicContact CE2-CG2 4.12Å; V52-V107 HydrophobicContact CB-CG1 3.81Å; V52-V107 HydrophobicContact CG1-CG1 4.18Å; V52-V107 HydrophobicContact CG2-CG1 3.88Å; A53-V107 CarbonylContact O-C 3.58Å; A53-V107 WeakPolarHBondContact O-CA 3.24Å; I54-V107 HydrophobicContact CG1-CG1 4.38Å; I54-V107 HydrophobicContact CG1-CG2 4.2Å; I54-V107 HydrophobicContact CG2-CG2 4.34Å; Q89-V107 HydrophobicContact CB-CG1 4.37Å; Q89-V107 PolarHBondContact N-O 2.63Å; D90-V107 HydrophobicContact CB-CB 3.76Å; D90-V107 HydrophobicContact CB-CG1 4.4Å; D90-V107 HydrophobicContact CB-CG2 3.83Å; D90-V107 PolarHBondContact N-O 2.94Å; D90-V107 WeakPolarHBondContact O-CB 3.46Å; D90-V107 PolarHBondContact O-N 3.31Å; F92-V107 HydrophobicContact CD1-CG2 3.99Å; F92-V107 HydrophobicContact CE1-CG2 3.53Å
108M94.3Very high92.3Very high21 Ų2144.4 Ų44.410%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-131.6161.5-174.5-64.4166.5-70.800110.2A53 K55 L77 I86 Q89 Y110A53-M108 PolarHBondContact N-O 3.14Å; A53-M108 PolarHBondContact O-N 2.79Å; K55-M108 HydrophobicContact CB-CE 3.69Å; K55-M108 HydrophobicContact CD-CE 4.45Å; L77-M108 HydrophobicContact CD1-SD 4.35Å; L77-M108 HydrophobicContact CD2-SD 4.44Å; I86-M108 HydrophobicContact CD1-CB 4.19Å; I86-M108 HydrophobicContact CG1-CB 4.17Å; I86-M108 HydrophobicContact CG1-CG 4.24Å; I86-M108 HydrophobicContact CG1-SD 4.1Å; Q89-M108 VanDerWaalsContact OE1-C 3.26Å; Q89-M108 PolarHBondContact OE1-O 2.87Å; M108-Y110 PolarHBondContact O-N 3.29Å
109P92.7Very high91.6Very high16 Ų1653.1 Ų53.110%0.10425%0.254CS..EExtended strand (participates in β ladder)trans-53133.8168.8-23.834000111.8I86 G87 Q89 M111 K165I86-P109 HydrophobicContact CD1-CB 4.38Å; I86-P109 HydrophobicContact CD1-CG 4.26Å; G87-P109 WeakPolarHBondContact O-CD 3.19Å; Q89-P109 HydrophobicContact CG-CG 4.28Å; P109-M111 PolarHBondContact O-N 3.22Å; P109-K165 HydrophobicContact CB-CD 4.49Å
110Y93.1Very high91.1Very high57 Ų5749.2 Ų49.222%0.22424%0.244CC..  trans-72.4126.7173.5176.3-99000109.9I32 K51 M108I32-Y110 HydrophobicContact CD1-CD2 4.18Å; I32-Y110 HydrophobicContact CD1-CE2 3.92Å; I32-Y110 HydrophobicContact CG2-CE2 4.49Å; K51-Y110 HydrophobicContact CD-CD1 3.7Å; K51-Y110 HydrophobicContact CD-CD2 4.31Å; K51-Y110 HydrophobicContact CD-CE1 3.83Å; K51-Y110 HydrophobicContact CD-CE2 4.45Å; K51-Y110 HydrophobicContact CD-CG 3.95Å; K51-Y110 HydrophobicContact CG-CD1 4.08Å; K51-Y110 HydrophobicContact CG-CD2 4.3Å; K51-Y110 HydrophobicContact CG-CG 3.88Å; K51-Y110 VanDerWaalsContact NZ-CZ 3.29Å; K51-Y110 PolarHBondContact NZ-OH 3.48Å; K51-Y110 WeakPolarHBondContact O-CB 3.12Å; M108-Y110 PolarHBondContact O-N 3.29Å
111M91.4Very high91Very high25 Ų2550.8 Ų50.812%0.12325%0.249CC..  trans-110.8144.3170.6-58-62.1-7100108.9P109 A157 N159 E163 K165P109-M111 PolarHBondContact O-N 3.22Å; M111-A157 HydrophobicContact CB-CB 3.57Å; M111-A157 HydrophobicContact CE-CB 4.2Å; M111-A157 WeakPolarHBondContact CE-O 3.41Å; M111-A157 HydrophobicContact CG-CB 3.57Å; M111-N159 HydrophobicContact CE-CB 4.43Å; M111-E163 VanDerWaalsContact CE-O 3.32Å; M111-E163 WeakPolarHBondContact CE-O 3.26Å; M111-K165 HydrophobicContact CE-CB 4.18Å; M111-K165 HydrophobicContact CE-CD 4.38Å; M111-K165 HydrophobicContact CE-CG 4.02Å; M111-K165 HydrophobicContact SD-CB 4.45Å; M111-K165 HydrophobicContact SD-CD 3.78Å; M111-K165 HydrophobicContact SD-CG 4.1Å
112Y87.9Confident90.9Very high118 Ų11851.9 Ų51.946%0.46326%0.255SS..SBendtrans-67.9-47.6-172.8-178.4-106.5000111.9V158 Q160Y112-V158 PolarHBondContact N-O 3.37Å; Y112-Q160 HydrophobicContact CD1-CG 4.27Å; Y112-Q160 HydrophobicContact CD2-CG 4.3Å; Y112-Q160 HydrophobicContact CG-CG 4.14Å
113T91Very high91.1Very high36 Ų3649 Ų4922%0.22125%0.248CC..EExtended strand (participates in β ladder)trans-151.5-172.6-178.7-165.60000110.6K117 V118 A157 V158T113-K117 WeakPolarHBondContact OG1-CB 3.24Å; T113-K117 WeakPolarHBondContact OG1-CD 3.26Å; T113-V118 HydrophobicContact CG2-CG2 4.38Å; T113-A157 CarbonylContact O-C 3.57Å; T113-A157 WeakPolarHBondContact O-CA 3.33Å; T113-V158 HydrophobicContact CG2-CG2 3.63Å; T113-V158 PolarHBondContact N-O 2.9Å; T113-V158 PolarHBondContact O-N 2.84Å; T113-V158 VanDerWaalsContact O-O 3.1Å
114D91.6Very high91.2Very high19 Ų1950.6 Ų50.610%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-123.6158.3170.962.980.4000110.2S116 K117 L156D114-S116 PolarHBondContact O-N 3.38Å; D114-S116 VanDerWaalsContact O-N 3.15Å; D114-S116 VanDerWaalsContact OD1-CB 3.29Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-N 2.87Å; D114-S116 PolarHBondContact OD1-OG 2.92Å; D114-K117 PolarHBondContact O-N 3.04Å; D114-K117 VanDerWaalsContact O-N 3.07Å; D114-K117 PolarHBondContact OD1-N 3.44Å; D114-K117 WeakPolarHBondContact OD2-CD 3.26Å; D114-K117 VanDerWaalsContact OD2-CE 3.23Å; D114-K117 WeakPolarHBondContact OD2-CE 3.28Å; D114-K117 IonicContact OD2-NZ 2.91Å; D114-K117 PolarHBondContact OD2-NZ 2.93Å; D114-L156 CarbonylContact C-O 3.52Å; D114-L156 VanDerWaalsContact CA-O 3.27Å; D114-L156 WeakPolarHBondContact CA-O 3.35Å
115L92.1Very high91.1Very high13 Ų1355.1 Ų55.17%0.06828%0.279CS..G310 helixtrans-62.7-21.4-175.8-73.6-176000113.5K117 V118 L130 M134 P153 L156 V158 L164 M216 M366L115-K117 PolarHBondContact O-N 2.98Å; L115-V118 HydrophobicContact CD2-CG2 4.04Å; L115-V118 PolarHBondContact O-N 3.35Å; L115-L130 HydrophobicContact CD2-CD1 4.11Å; L115-M134 HydrophobicContact CD1-CE 3.55Å; L115-P153 HydrophobicContact CB-CB 3.87Å; L115-P153 PolarHBondContact N-O 3.36Å; L115-L156 HydrophobicContact CB-CB 4.28Å; L115-L156 HydrophobicContact CD1-CB 3.8Å; L115-L156 HydrophobicContact CD1-CD1 3.77Å; L115-L156 HydrophobicContact CD1-CG 4.45Å; L115-L156 HydrophobicContact CG-CB 4.02Å; L115-L156 PolarHBondContact N-O 3.38Å; L115-V158 HydrophobicContact CD2-CG1 3.68Å; L115-V158 HydrophobicContact CD2-CG2 4.07Å; L115-V158 HydrophobicContact CG-CG1 3.9Å; L115-L164 HydrophobicContact CD1-CD1 4.14Å; L115-M216 HydrophobicContact CD1-SD 4.05Å; L115-M366 HydrophobicContact CD2-CE 4.42Å
116S89.7Confident91.1Very high76 Ų7656.7 Ų56.753%0.53129%0.286SS..G310 helixtrans-69.5-19.5176.979.40000113.3D114 P153D114-S116 PolarHBondContact O-N 3.38Å; D114-S116 VanDerWaalsContact O-N 3.15Å; D114-S116 VanDerWaalsContact OD1-CB 3.29Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-N 2.87Å; D114-S116 PolarHBondContact OD1-OG 2.92Å; S116-P153 PolarHBondContact N-O 3.36Å
117K88.8Confident91.1Very high120 Ų12056.8 Ų56.852%0.52229%0.286SS..G310 helixtrans-94-12.5177.3-66.7172.3-176.51410113T113 D114 L115 R119T113-K117 WeakPolarHBondContact OG1-CB 3.24Å; T113-K117 WeakPolarHBondContact OG1-CD 3.26Å; D114-K117 PolarHBondContact O-N 3.04Å; D114-K117 VanDerWaalsContact O-N 3.07Å; D114-K117 PolarHBondContact OD1-N 3.44Å; D114-K117 WeakPolarHBondContact OD2-CD 3.26Å; D114-K117 VanDerWaalsContact OD2-CE 3.23Å; D114-K117 WeakPolarHBondContact OD2-CE 3.28Å; D114-K117 IonicContact OD2-NZ 2.91Å; D114-K117 PolarHBondContact OD2-NZ 2.93Å; L115-K117 PolarHBondContact O-N 2.98Å; K117-R119 PolarHBondContact O-N 3.25Å
118V85.9Confident91.2Very high36 Ų3657.9 Ų57.922%0.21829%0.291CS..  trans-73.1119.8176.1178.40000108.1T113 L115 L122 V158 M366T113-V118 HydrophobicContact CG2-CG2 4.38Å; L115-V118 HydrophobicContact CD2-CG2 4.04Å; L115-V118 PolarHBondContact O-N 3.35Å; V118-L122 HydrophobicContact CG1-CD1 4.49Å; V118-L122 HydrophobicContact CG1-CD2 3.88Å; V118-V158 HydrophobicContact CG2-CG2 4.32Å; V118-M366 HydrophobicContact CB-CE 4.24Å; V118-M366 HydrophobicContact CG1-CE 3.65Å; V118-M366 HydrophobicContact CG2-CE 3.52Å
119R78.3Confident91.2Very high226 Ų22657.4 Ų57.485%0.85329%0.289SS*.  trans-98.1145.4-174.8-66.3-173177.4-1750.4111.6K117K117-R119 PolarHBondContact O-N 3.25Å
120G83.5Confident91.4Very high48 Ų4856.7 Ų56.750%0.49528%0.284SS..SBendtrans83.5-166.1172.100000113.3G219G120-G219 WeakPolarHBondContact O-CA 3.38Å
121Q89.1Confident91.7Very high108 Ų10854 Ų5451%0.50527%0.273SS..PPolyproline II helixtrans-91.8138.4-176.2-64.7165.7-16.100109.2I217 N218 R278Q121-I217 WeakPolarHBondContact CG-O 3.37Å; Q121-N218 VanDerWaalsContact CG-C 3.49Å; Q121-N218 WeakPolarHBondContact CG-O 3.33Å; Q121-N218 PolarHBondContact NE2-O 3.39Å; Q121-R278 VanDerWaalsContact CD-NH1 3.32Å; Q121-R278 VanDerWaalsContact NE2-NH2 3.11Å
122L93Very high92Very high23 Ų2352.9 Ų52.912%0.1227%0.268CS..PPolyproline II helixtrans-93.2153174.9-60.5-174.7000110.9V118 K126 V127 L130 M216V118-L122 HydrophobicContact CG1-CD1 4.49Å; V118-L122 HydrophobicContact CG1-CD2 3.88Å; L122-K126 HydrophobicContact CB-CB 4.25Å; L122-V127 HydrophobicContact CB-CG2 3.9Å; L122-L130 HydrophobicContact CD1-CD1 3.75Å; L122-M216 HydrophobicContact CD1-CB 4.21Å; L122-M216 HydrophobicContact CD1-CG 4.12Å; L122-M216 HydrophobicContact CD1-SD 3.96Å; L122-M216 PolarHBondContact N-O 3.37Å
123S94.6Very high92.4Very high59 Ų5947.7 Ų47.741%0.41325%0.248SC..PPolyproline II helixtrans-66.3153.5169.759.60000110.1D125 K126 V127S123-D125 VanDerWaalsContact C-N 3.32Å; S123-D125 PolarHBondContact O-N 2.71Å; S123-K126 WeakPolarHBondContact O-CB 3.23Å; S123-K126 PolarHBondContact O-N 2.96Å; S123-K126 WeakPolarHBondContact OG-CG 3.31Å; S123-V127 WeakPolarHBondContact O-CG2 3.25Å; S123-V127 PolarHBondContact O-N 3.48Å
124E94.2Very high92.8Very high62 Ų6246 Ų4629%0.2924%0.237SC..Hα-helixtrans-57.3-43.1-178-177.7155.4-148.300112.6K126 V127 Q128 S280 Y309E124-K126 PolarHBondContact O-N 3.26Å; E124-V127 WeakPolarHBondContact O-CB 3.31Å; E124-V127 PolarHBondContact O-N 2.9Å; E124-V127 VanDerWaalsContact O-N 3.07Å; E124-Q128 WeakPolarHBondContact O-CB 3.14Å; E124-Q128 PolarHBondContact O-N 3.37Å; E124-S280 WeakPolarHBondContact OE1-CB 3.37Å; E124-S280 PolarHBondContact OE1-N 2.97Å; E124-S280 PolarHBondContact OE1-OG 2.94Å; E124-S280 PolarHBondContact OE2-N 3.21Å; E124-Y309 HydrophobicContact CG-CE2 4.35Å; E124-Y309 WeakPolarHBondContact OE1-CE2 3.36Å
125D94.6Very high93.1Very high95 Ų9545 Ų4551%0.50823%0.232SC..Hα-helixtrans-57.3-37.7176.4-55.2-24.2000112.6S123 F129 L364S123-D125 VanDerWaalsContact C-N 3.32Å; S123-D125 PolarHBondContact O-N 2.71Å; D125-F129 VanDerWaalsContact O-CB 3.28Å; D125-F129 WeakPolarHBondContact O-CB 3.29Å; D125-F129 PolarHBondContact O-N 3.07Å; D125-L364 HydrophobicContact CB-CD2 4.25Å
126K94.9Very high93.3Very high33 Ų3344.5 Ų44.514%0.14323%0.23CC..Hα-helixtrans-71.2-42.3176.7-73.5179.2176.6-176.90111.2L122 S123 E124 F129 L130 L364 T365 M366L122-K126 HydrophobicContact CB-CB 4.25Å; S123-K126 WeakPolarHBondContact O-CB 3.23Å; S123-K126 PolarHBondContact O-N 2.96Å; S123-K126 WeakPolarHBondContact OG-CG 3.31Å; E124-K126 PolarHBondContact O-N 3.26Å; K126-F129 PolarHBondContact O-N 2.98Å; K126-L130 VanDerWaalsContact O-CB 3.31Å; K126-L130 WeakPolarHBondContact O-CB 3.32Å; K126-L130 WeakPolarHBondContact O-CD1 3.43Å; K126-L130 WeakPolarHBondContact O-CG 3.36Å; K126-L130 PolarHBondContact O-N 3.2Å; K126-L364 HydrophobicContact CG-CD2 4.47Å; K126-T365 WeakPolarHBondContact CE-O 3.48Å; K126-T365 PolarHBondContact NZ-O 2.72Å; K126-M366 HydrophobicContact CD-SD 4.43Å
127V96.7Very high93.7Very high1 Ų140.9 Ų40.91%0.00620%0.204CC..Hα-helixtrans-59.5-52.1175.2173.90000109.6L122 S123 E124 F129 L130 V131 M213 M216 I217L122-V127 HydrophobicContact CB-CG2 3.9Å; S123-V127 WeakPolarHBondContact O-CG2 3.25Å; S123-V127 PolarHBondContact O-N 3.48Å; E124-V127 WeakPolarHBondContact O-CB 3.31Å; E124-V127 PolarHBondContact O-N 2.9Å; E124-V127 VanDerWaalsContact O-N 3.07Å; V127-F129 VanDerWaalsContact C-N 3.35Å; V127-F129 PolarHBondContact O-N 3.49Å; V127-L130 PolarHBondContact O-N 3.15Å; V127-V131 HydrophobicContact CG1-CG2 4.16Å; V127-V131 WeakPolarHBondContact O-CB 3.46Å; V127-V131 VanDerWaalsContact O-CG2 3.23Å; V127-V131 WeakPolarHBondContact O-CG2 3.2Å; V127-V131 PolarHBondContact O-N 3.39Å; V127-M213 HydrophobicContact CG1-CE 4.41Å; V127-M213 HydrophobicContact CG1-CG 3.89Å; V127-M216 HydrophobicContact CG1-CE 4.27Å; V127-M216 HydrophobicContact CG2-CB 3.94Å; V127-I217 HydrophobicContact CG1-CD1 4.34Å; V127-I217 HydrophobicContact CG1-CG1 4Å; V127-I217 HydrophobicContact CG2-CG1 4.14Å
128Q96.9Very high94.1Very high23 Ų2335.1 Ų35.111%0.10718%0.179CC..Hα-helixtrans-54.6-49.8178.7-166.9-168.246.300111.2E124 Y132 Y309 F310 L313E124-Q128 WeakPolarHBondContact O-CB 3.14Å; E124-Q128 PolarHBondContact O-N 3.37Å; Q128-Y132 VanDerWaalsContact O-CB 3.23Å; Q128-Y132 WeakPolarHBondContact O-CB 3.46Å; Q128-Y132 PolarHBondContact O-N 2.96Å; Q128-Y309 HydrophobicContact CB-CE1 3.9Å; Q128-Y309 HydrophobicContact CB-CE2 4.47Å; Q128-Y309 VanDerWaalsContact CD-O 3.31Å; Q128-Y309 HydrophobicContact CG-CD1 4.11Å; Q128-Y309 HydrophobicContact CG-CE1 3.8Å; Q128-Y309 HydrophobicContact CG-CE2 4.31Å; Q128-Y309 VanDerWaalsContact CG-O 3.23Å; Q128-Y309 WeakPolarHBondContact CG-O 3.4Å; Q128-Y309 PolarHBondContact NE2-O 2.91Å; Q128-F310 HydrophobicContact CG-CD1 4.14Å; Q128-F310 HydrophobicContact CG-CE1 4.39Å; Q128-L313 HydrophobicContact CB-CD1 4.41Å; Q128-L313 HydrophobicContact CG-CD1 3.77Å
129F95.8Very high94.6Very high12 Ų1234.4 Ų34.45%0.05317%0.173CC..Hα-helixtrans-67.7-39.4-178.9-172.3-120000113.7D125 K126 V127 Q133 C162 L313 N362 L364D125-F129 VanDerWaalsContact O-CB 3.28Å; D125-F129 WeakPolarHBondContact O-CB 3.29Å; D125-F129 PolarHBondContact O-N 3.07Å; K126-F129 PolarHBondContact O-N 2.98Å; V127-F129 VanDerWaalsContact C-N 3.35Å; V127-F129 PolarHBondContact O-N 3.49Å; F129-Q133 HydrophobicContact CE2-CG 4.44Å; F129-Q133 HydrophobicContact CZ-CG 4.42Å; F129-Q133 WeakPolarHBondContact O-CG 3.41Å; F129-Q133 PolarHBondContact O-N 3.37Å; F129-Q133 PolarHBondContact O-NE2 3.5Å; F129-Q133 VanDerWaalsContact O-NE2 3.1Å; F129-C162 HydrophobicContact CD1-CB 3.91Å; F129-C162 HydrophobicContact CE1-CB 4.11Å; F129-L313 HydrophobicContact CB-CD1 4.31Å; F129-L313 HydrophobicContact CD2-CD1 4.16Å; F129-L313 HydrophobicContact CD2-CD2 4.17Å; F129-N362 WeakPolarHBondContact CE1-ND2 3.37Å; F129-L364 HydrophobicContact CB-CD1 3.9Å; F129-L364 HydrophobicContact CD1-CD1 4.12Å; F129-L364 HydrophobicContact CG-CD1 4.13Å
130L97.1Very high95.5Very high0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-70-44.1177.6-71.2168.4000111.4L115 L122 K126 V127 Q133 M134 V158 L164 M216L115-L130 HydrophobicContact CD2-CD1 4.11Å; L122-L130 HydrophobicContact CD1-CD1 3.75Å; K126-L130 VanDerWaalsContact O-CB 3.31Å; K126-L130 WeakPolarHBondContact O-CB 3.32Å; K126-L130 WeakPolarHBondContact O-CD1 3.43Å; K126-L130 WeakPolarHBondContact O-CG 3.36Å; K126-L130 PolarHBondContact O-N 3.2Å; V127-L130 PolarHBondContact O-N 3.15Å; L130-Q133 PolarHBondContact O-N 2.71Å; L130-M134 HydrophobicContact CB-CE 3.97Å; L130-M134 VanDerWaalsContact O-CG 3.28Å; L130-M134 WeakPolarHBondContact O-CG 3.46Å; L130-M134 PolarHBondContact O-N 2.89Å; L130-V158 HydrophobicContact CD2-CG1 3.87Å; L130-L164 HydrophobicContact CD2-CB 4.18Å; L130-L164 HydrophobicContact CD2-CD1 4.05Å; L130-M216 HydrophobicContact CB-CE 4.34Å; L130-M216 HydrophobicContact CB-SD 4.27Å; L130-M216 HydrophobicContact CD1-SD 3.88Å
131V98.2Very high96Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-64.9-41.4177.8178.10000110.7V127 Q133 M134 L135 V209 M213 M216 M290 F310V127-V131 HydrophobicContact CG1-CG2 4.16Å; V127-V131 WeakPolarHBondContact O-CB 3.46Å; V127-V131 VanDerWaalsContact O-CG2 3.23Å; V127-V131 WeakPolarHBondContact O-CG2 3.2Å; V127-V131 PolarHBondContact O-N 3.39Å; V131-Q133 VanDerWaalsContact C-N 3.33Å; V131-Q133 PolarHBondContact O-N 3.13Å; V131-M134 WeakPolarHBondContact O-CB 3.49Å; V131-M134 PolarHBondContact O-N 2.8Å; V131-L135 HydrophobicContact CG1-CD1 4.08Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CG 3.42Å; V131-L135 PolarHBondContact O-N 3.37Å; V131-V209 HydrophobicContact CG1-CG1 3.79Å; V131-M213 HydrophobicContact CG1-SD 4.36Å; V131-M213 HydrophobicContact CG2-CB 3.84Å; V131-M213 HydrophobicContact CG2-CG 3.89Å; V131-M213 HydrophobicContact CG2-SD 4.18Å; V131-M216 HydrophobicContact CG2-CE 3.57Å; V131-M290 HydrophobicContact CG1-CE 4.45Å; V131-F310 HydrophobicContact CB-CE1 4.28Å; V131-F310 HydrophobicContact CB-CZ 4.27Å; V131-F310 HydrophobicContact CG1-CE1 4.2Å; V131-F310 HydrophobicContact CG1-CZ 3.69Å
132Y98.1Very high96.3Very high2 Ų217.4 Ų17.41%0.0089%0.09CC..Hα-helixtrans-54.7-49.3174.2176.8-101.4000111.6Q128 M134 L135 C136 L305 F310 L313 R314 D315 D318 R360Q128-Y132 VanDerWaalsContact O-CB 3.23Å; Q128-Y132 WeakPolarHBondContact O-CB 3.46Å; Q128-Y132 PolarHBondContact O-N 2.96Å; Y132-M134 PolarHBondContact O-N 3.38Å; Y132-L135 PolarHBondContact O-N 3.45Å; Y132-C136 VanDerWaalsContact CZ-SG 3.55Å; Y132-C136 PolarHBondContact O-N 3.23Å; Y132-C136 PolarHBondContact O-SG 2.98Å; Y132-L305 HydrophobicContact CD2-CD2 3.73Å; Y132-L305 HydrophobicContact CE2-CD2 3.75Å; Y132-F310 HydrophobicContact CD2-CB 3.9Å; Y132-F310 AromaticContact CD2-CD1 3.95Å; Y132-F310 HydrophobicContact CD2-CD1 3.95Å; Y132-F310 AromaticContact CD2-CG 3.94Å; Y132-F310 HydrophobicContact CD2-CG 3.94Å; Y132-F310 HydrophobicContact CE2-CB 4.43Å; Y132-F310 HydrophobicContact CG-CD1 4.31Å; Y132-L313 HydrophobicContact CD1-CB 4.3Å; Y132-L313 HydrophobicContact CD1-CD1 4.49Å; Y132-L313 HydrophobicContact CD2-CB 4.16Å; Y132-L313 HydrophobicContact CE1-CB 4.5Å; Y132-L313 HydrophobicContact CE2-CB 4.35Å; Y132-L313 HydrophobicContact CG-CB 4.13Å; Y132-L313 HydrophobicContact CG-CD1 4.1Å; Y132-L313 PolarHBondContact OH-O 3.01Å; Y132-R314 HydrophobicContact CE2-CG 4.2Å; Y132-D315 PolarHBondContact OH-N 2.89Å; Y132-D318 VanDerWaalsContact CE1-OD2 3.31Å; Y132-D318 WeakPolarHBondContact CE1-OD2 3.04Å; Y132-D318 PolarHBondContact OH-OD2 2.93Å; Y132-R360 PolarHBondContact OH-NH2 2.91Å
133Q97.4Very high96.3Very high9 Ų919.9 Ų19.94%0.04210%0.099CC..Hα-helixtrans-64.2-38.1177.6-72.9176.788.700113N84 F129 L130 V131 C136 G137 C162 L164N84-Q133 HydrophobicContact CB-CB 4.49Å; N84-Q133 VanDerWaalsContact CB-O 3.24Å; N84-Q133 WeakPolarHBondContact CB-O 3.48Å; N84-Q133 WeakPolarHBondContact ND2-CB 3.43Å; N84-Q133 WeakPolarHBondContact ND2-CG 3.46Å; N84-Q133 PolarHBondContact ND2-OE1 2.92Å; N84-Q133 VanDerWaalsContact ND2-OE1 3.16Å; F129-Q133 HydrophobicContact CE2-CG 4.44Å; F129-Q133 HydrophobicContact CZ-CG 4.42Å; F129-Q133 WeakPolarHBondContact O-CG 3.41Å; F129-Q133 PolarHBondContact O-N 3.37Å; F129-Q133 PolarHBondContact O-NE2 3.5Å; F129-Q133 VanDerWaalsContact O-NE2 3.1Å; L130-Q133 PolarHBondContact O-N 2.71Å; V131-Q133 VanDerWaalsContact C-N 3.33Å; V131-Q133 PolarHBondContact O-N 3.13Å; Q133-C136 PolarHBondContact O-N 3.04Å; Q133-G137 PolarHBondContact O-N 3.25Å; Q133-C162 PolarHBondContact NE2-O 3.22Å; Q133-L164 HydrophobicContact CB-CB 4.03Å; Q133-L164 HydrophobicContact CB-CD2 4.36Å
134M97.9Very high96.2Very high0 Ų017.3 Ų17.30%08%0.081CC..Hα-helixtrans-59.9-47.1173.6-68.5174.8-143.900110.8L115 L130 V131 Y132 G137 L138 L156 L164 V209 I212 M216L115-M134 HydrophobicContact CD1-CE 3.55Å; L130-M134 HydrophobicContact CB-CE 3.97Å; L130-M134 VanDerWaalsContact O-CG 3.28Å; L130-M134 WeakPolarHBondContact O-CG 3.46Å; L130-M134 PolarHBondContact O-N 2.89Å; V131-M134 WeakPolarHBondContact O-CB 3.49Å; V131-M134 PolarHBondContact O-N 2.8Å; Y132-M134 PolarHBondContact O-N 3.38Å; M134-G137 PolarHBondContact O-N 2.87Å; M134-L138 WeakPolarHBondContact O-CB 3.47Å; M134-L138 WeakPolarHBondContact O-CG 3.4Å; M134-L138 PolarHBondContact O-N 3.33Å; M134-L156 HydrophobicContact CE-CD1 3.78Å; M134-L156 HydrophobicContact CG-CD1 4.14Å; M134-L156 HydrophobicContact CG-CD2 4.07Å; M134-L156 HydrophobicContact SD-CD1 3.56Å; M134-L156 VanDerWaalsContact SD-CD1 3.56Å; M134-L164 HydrophobicContact CE-CD1 3.69Å; M134-L164 HydrophobicContact CG-CD1 3.6Å; M134-L164 HydrophobicContact CG-CD2 3.97Å; M134-L164 HydrophobicContact CG-CG 4.46Å; M134-L164 HydrophobicContact SD-CD1 4.44Å; M134-V209 HydrophobicContact CB-CG2 4.49Å; M134-I212 HydrophobicContact CE-CG2 3.98Å; M134-I212 HydrophobicContact SD-CG2 4.15Å; M134-M216 HydrophobicContact CE-CE 3.69Å; M134-M216 HydrophobicContact CE-SD 4.1Å
135L98.4Very high96Very high0 Ų016.2 Ų16.20%09%0.087CC..Hα-helixtrans-68.1-38.4-179.5-67.6173.1000112.2V131 Y132 L138 R139 I206 V209 M290 A304 L305 F310V131-L135 HydrophobicContact CG1-CD1 4.08Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 WeakPolarHBondContact O-CG 3.42Å; V131-L135 PolarHBondContact O-N 3.37Å; Y132-L135 PolarHBondContact O-N 3.45Å; L135-L138 PolarHBondContact O-N 2.71Å; L135-R139 WeakPolarHBondContact O-CB 3.45Å; L135-R139 PolarHBondContact O-N 3.48Å; L135-I206 HydrophobicContact CD2-CD1 3.83Å; L135-V209 HydrophobicContact CD2-CG1 4.22Å; L135-V209 HydrophobicContact CD2-CG2 4.42Å; L135-M290 HydrophobicContact CD1-CE 3.84Å; L135-M290 HydrophobicContact CD2-CE 4.02Å; L135-M290 HydrophobicContact CG-CE 4.4Å; L135-A304 HydrophobicContact CD1-CB 3.88Å; L135-A304 HydrophobicContact CD2-CB 4.06Å; L135-L305 HydrophobicContact CB-CD1 4.31Å; L135-L305 HydrophobicContact CB-CD2 3.69Å; L135-L305 HydrophobicContact CB-CG 3.77Å; L135-F310 HydrophobicContact CD1-CD2 4.44Å; L135-F310 HydrophobicContact CD1-CE2 3.45Å; L135-F310 VanDerWaalsContact CD1-CE2 3.45Å; L135-F310 HydrophobicContact CD1-CZ 3.63Å
136C97.4Very high95.8Very high1 Ų111.9 Ų11.91%0.0076%0.064CC..Hα-helixtrans-59-48.3173.2-66.40000111.1Y132 Q133 R139 Y140Y132-C136 VanDerWaalsContact CZ-SG 3.55Å; Y132-C136 PolarHBondContact O-N 3.23Å; Y132-C136 PolarHBondContact O-SG 2.98Å; Q133-C136 PolarHBondContact O-N 3.04Å; C136-R139 PolarHBondContact O-N 2.98Å; C136-Y140 PolarHBondContact O-N 2.91Å
137G96.7Very high95.6Very high0 Ų010.4 Ų10.40%06%0.058CC..Hα-helixtrans-61.7-44.9176.100000113Q133 M134 Y140 I141Q133-G137 PolarHBondContact O-N 3.25Å; M134-G137 PolarHBondContact O-N 2.87Å; G137-Y140 PolarHBondContact O-N 3.28Å; G137-I141 WeakPolarHBondContact O-CD1 3.4Å; G137-I141 VanDerWaalsContact O-CG1 3.29Å; G137-I141 WeakPolarHBondContact O-CG1 3.25Å; G137-I141 PolarHBondContact O-N 3.06Å
138L97.1Very high95.2Very high0 Ų010.4 Ų10.40%06%0.058CC..Hα-helixtrans-64.1-41.3177.4-77.4176.7000112.2M134 L135 Y140 I141 H142 H148 L151 I166 D205 V209 A301M134-L138 WeakPolarHBondContact O-CB 3.47Å; M134-L138 WeakPolarHBondContact O-CG 3.4Å; M134-L138 PolarHBondContact O-N 3.33Å; L135-L138 PolarHBondContact O-N 2.71Å; L138-Y140 VanDerWaalsContact C-N 3.28Å; L138-Y140 PolarHBondContact O-N 2.93Å; L138-I141 PolarHBondContact O-N 3.43Å; L138-I141 VanDerWaalsContact O-N 3.14Å; L138-H142 VanDerWaalsContact O-CB 3.25Å; L138-H142 WeakPolarHBondContact O-CB 3.39Å; L138-H142 PolarHBondContact O-CD2 3.01Å; L138-H142 PolarHBondContact O-N 3.47Å; L138-H148 HydrophobicContact CD2-CB 4.32Å; L138-L151 HydrophobicContact CD1-CD2 4.07Å; L138-I166 HydrophobicContact CD2-CD1 4.23Å; L138-I166 HydrophobicContact CG-CD1 4.04Å; L138-D205 HydrophobicContact CD1-CB 4Å; L138-D205 HydrophobicContact CD2-CB 3.88Å; L138-V209 HydrophobicContact CD1-CG2 3.46Å; L138-V209 VanDerWaalsContact CD1-CG2 3.46Å; L138-A301 HydrophobicContact CB-CB 4.1Å
139R96.9Very high94.7Very high21 Ų2110.1 Ų10.18%0.0796%0.055CC..Hα-helixtrans-56-45.5175.7-164-165.388.4152.415.9111L135 C136 H142 K143 A301 E302 L305 F319 E321L135-R139 WeakPolarHBondContact O-CB 3.45Å; L135-R139 PolarHBondContact O-N 3.48Å; C136-R139 PolarHBondContact O-N 2.98Å; R139-H142 PolarHBondContact O-N 2.99Å; R139-K143 WeakPolarHBondContact O-CB 3.43Å; R139-K143 WeakPolarHBondContact O-CG 3.4Å; R139-K143 PolarHBondContact O-N 3.26Å; R139-A301 HydrophobicContact CB-CB 4.01Å; R139-E302 HydrophobicContact CG-CB 4.1Å; R139-L305 HydrophobicContact CB-CD1 4.01Å; R139-L305 HydrophobicContact CG-CD1 4.32Å; R139-F319 VanDerWaalsContact NH1-CD1 3.27Å; R139-F319 VanDerWaalsContact NH2-CA 3.28Å; R139-F319 PolarHBondContact NH2-O 3.09Å; R139-E321 IonicContact NH2-OE1 3.36Å; R139-E321 PolarHBondContact NH2-OE1 2.92Å
140Y96.1Very high94.2Very high13 Ų1310 Ų105%0.0516%0.055CC..Hα-helixtrans-62.4-45.7176.1-175.6-85.7000112.1M80 K81 H82 C136 G137 L138 A144 P320 P322M80-Y140 HydrophobicContact SD-CD1 4.05Å; M80-Y140 HydrophobicContact SD-CE1 3.81Å; K81-Y140 PolarHBondContact N-OH 3.12Å; H82-Y140 HydrophobicContact CB-CD1 3.78Å; H82-Y140 HydrophobicContact CB-CD2 3.96Å; H82-Y140 HydrophobicContact CB-CE1 4.11Å; H82-Y140 HydrophobicContact CB-CE2 4.24Å; H82-Y140 HydrophobicContact CB-CG 3.71Å; H82-Y140 AromaticContact CD2-CD2 3.72Å; H82-Y140 AromaticContact CD2-CG 3.85Å; H82-Y140 AromaticContact CG-CG 3.89Å; C136-Y140 PolarHBondContact O-N 2.91Å; G137-Y140 PolarHBondContact O-N 3.28Å; L138-Y140 VanDerWaalsContact C-N 3.28Å; L138-Y140 PolarHBondContact O-N 2.93Å; Y140-A144 PolarHBondContact O-N 3.42Å; Y140-P320 HydrophobicContact CD2-CG 4.1Å; Y140-P320 WeakPolarHBondContact CD2-O 3.44Å; Y140-P320 HydrophobicContact CE2-CG 4.28Å; Y140-P322 HydrophobicContact CD1-CB 4.34Å; Y140-P322 HydrophobicContact CD2-CB 4.06Å; Y140-P322 HydrophobicContact CD2-CG 4.44Å; Y140-P322 HydrophobicContact CE1-CB 3.93Å; Y140-P322 HydrophobicContact CE2-CB 3.66Å; Y140-P322 HydrophobicContact CE2-CG 4.46Å; Y140-P322 HydrophobicContact CG-CB 4.4Å; Y140-P322 WeakPolarHBondContact O-CG 3.33Å
141I94.6Very high93.9Very high0 Ų010.1 Ų10.10%06%0.056CC..Hα-helixtrans-62.6-45179-66.9160.8000110.8M80 V85 G137 L138 A144 I146 I166 F169M80-I141 HydrophobicContact CE-CG1 4.33Å; M80-I141 HydrophobicContact SD-CG1 4.22Å; V85-I141 HydrophobicContact CG1-CD1 4.31Å; V85-I141 HydrophobicContact CG1-CG1 4.4Å; V85-I141 HydrophobicContact CG2-CD1 3.87Å; V85-I141 HydrophobicContact CG2-CG1 3.95Å; G137-I141 WeakPolarHBondContact O-CD1 3.4Å; G137-I141 VanDerWaalsContact O-CG1 3.29Å; G137-I141 WeakPolarHBondContact O-CG1 3.25Å; G137-I141 PolarHBondContact O-N 3.06Å; L138-I141 PolarHBondContact O-N 3.43Å; L138-I141 VanDerWaalsContact O-N 3.14Å; I141-A144 WeakPolarHBondContact O-CB 3.46Å; I141-A144 PolarHBondContact O-N 2.93Å; I141-I146 CarbonylContact C-O 3.57Å; I141-I146 HydrophobicContact CG2-CB 3.82Å; I141-I146 HydrophobicContact CG2-CG2 3.72Å; I141-I146 WeakPolarHBondContact CG2-O 3.43Å; I141-I146 PolarHBondContact O-N 3.21Å; I141-I166 HydrophobicContact CD1-CB 4.46Å; I141-I166 HydrophobicContact CD1-CD1 3.9Å; I141-I166 HydrophobicContact CD1-CG2 4.16Å; I141-F169 HydrophobicContact CD1-CE1 3.73Å; I141-F169 HydrophobicContact CD1-CZ 3.89Å; I141-F169 HydrophobicContact CG1-CE1 4Å; I141-F169 HydrophobicContact CG1-CZ 4.21Å; I141-F169 HydrophobicContact CG2-CE1 4.26Å
142H94.8Very high93.6Very high12 Ų1212.1 Ų12.16%0.0567%0.065CC..Hα-helixtrans-65.2-44.3-179.2-70.7177.5000112L138 R139 A144 G145 I146 Q202 D205L138-H142 VanDerWaalsContact O-CB 3.25Å; L138-H142 WeakPolarHBondContact O-CB 3.39Å; L138-H142 PolarHBondContact O-CD2 3.01Å; L138-H142 PolarHBondContact O-N 3.47Å; R139-H142 PolarHBondContact O-N 2.99Å; H142-A144 PolarHBondContact O-N 3.17Å; H142-G145 PolarHBondContact O-N 3.05Å; H142-I146 PolarHBondContact CD2-O 3.37Å; H142-Q202 HydrophobicContact CB-CB 4.48Å; H142-Q202 PolarHBondContact CE1-O 2.84Å; H142-D205 IonicContact CD2-OD2 3.23Å; H142-D205 IonicContact CE1-OD2 3.02Å; H142-D205 IonicContact NE2-OD2 2.73Å; H142-D205 PolarHBondContact NE2-OD2 3.4Å
143K94.8Very high93.4Very high75 Ų7512.4 Ų12.433%0.3267%0.067SC..Hα-helixtrans-65.1-22.5174.8-73.3-157.9-177-168.40113.5R139 G145 E302 E321 P322R139-K143 WeakPolarHBondContact O-CB 3.43Å; R139-K143 WeakPolarHBondContact O-CG 3.4Å; R139-K143 PolarHBondContact O-N 3.26Å; K143-G145 PolarHBondContact O-N 3.2Å; K143-E302 WeakPolarHBondContact CE-OE1 3.47Å; K143-E302 IonicContact NZ-OE1 2.66Å; K143-E302 PolarHBondContact NZ-OE1 3.25Å; K143-E302 IonicContact NZ-OE2 2.76Å; K143-E321 WeakPolarHBondContact CD-OE2 3.44Å; K143-E321 IonicContact NZ-OE1 3.65Å; K143-E321 PolarHBondContact NZ-OE1 3Å; K143-E321 IonicContact NZ-OE2 3.65Å; K143-E321 PolarHBondContact NZ-OE2 2.99Å; K143-P322 VanDerWaalsContact C-CG 3.49Å; K143-P322 HydrophobicContact CB-CG 3.49Å; K143-P322 VanDerWaalsContact CB-CG 3.49Å
144A92.6Very high93.1Very high4 Ų413.2 Ų13.23%0.0338%0.077CC..THydrogen-bonded Turntrans-78.4-1.9171.900000113.3Y140 I141 H142 I146 P322 Y325Y140-A144 PolarHBondContact O-N 3.42Å; I141-A144 WeakPolarHBondContact O-CB 3.46Å; I141-A144 PolarHBondContact O-N 2.93Å; H142-A144 PolarHBondContact O-N 3.17Å; A144-I146 HydrophobicContact CB-CD1 4.21Å; A144-P322 HydrophobicContact CB-CB 3.86Å; A144-P322 HydrophobicContact CB-CG 4.02Å; A144-Y325 WeakPolarHBondContact O-CB 3.44Å; A144-Y325 PolarHBondContact O-N 2.88Å; A144-Y325 VanDerWaalsContact O-N 3.09Å
145G89.9Confident92.8Very high40 Ų4013.8 Ų13.841%0.4128%0.08SC..THydrogen-bonded Turntrans84.517-178.100000114.2H142 K143H142-G145 PolarHBondContact O-N 3.05Å; K143-G145 PolarHBondContact O-N 3.2Å
146I90Very high92.7Very high4 Ų413.8 Ų13.82%0.0218%0.08CC..  trans-112.1139.3-174.7-64.4157.9000109.8L76 M80 I141 H142 A144 A172 Y325L76-I146 HydrophobicContact CD2-CD1 3.37Å; L76-I146 HydrophobicContact CD2-CG1 4.21Å; M80-I146 HydrophobicContact CE-CD1 3.25Å; I141-I146 CarbonylContact C-O 3.57Å; I141-I146 HydrophobicContact CG2-CB 3.82Å; I141-I146 HydrophobicContact CG2-CG2 3.72Å; I141-I146 WeakPolarHBondContact CG2-O 3.43Å; I141-I146 PolarHBondContact O-N 3.21Å; H142-I146 PolarHBondContact CD2-O 3.37Å; A144-I146 HydrophobicContact CB-CD1 4.21Å; I146-A172 HydrophobicContact CG2-CB 3.88Å; I146-Y325 HydrophobicContact CD1-CD1 4.02Å; I146-Y325 HydrophobicContact CD1-CD2 4.25Å; I146-Y325 HydrophobicContact CD1-CG 3.7Å; I146-Y325 HydrophobicContact CG1-CD1 4.09Å; I146-Y325 HydrophobicContact CG1-CG 4.22Å
147I89.5Confident92.5Very high2 Ų213.9 Ų13.91%0.018%0.081CC..BIsolated β-bridgetrans-111133.2170.2-52176.1000108.6R149 A172 R173 T175 Q202 V204 D205I147-R149 HydrophobicContact CB-CG 3.94Å; I147-R149 HydrophobicContact CG2-CG 3.5Å; I147-R149 VanDerWaalsContact CG2-CG 3.5Å; I147-A172 CarbonylContact O-C 3.47Å; I147-A172 WeakPolarHBondContact O-CA 3.39Å; I147-A172 VanDerWaalsContact O-CB 3.28Å; I147-A172 WeakPolarHBondContact O-CB 3.47Å; I147-R173 PolarHBondContact N-O 3.38Å; I147-R173 PolarHBondContact O-N 3.35Å; I147-T175 HydrophobicContact CD1-CG2 3.98Å; I147-T175 HydrophobicContact CG1-CG2 4.47Å; I147-Q202 HydrophobicContact CG1-CB 4.32Å; I147-V204 HydrophobicContact CG2-CG2 3.6Å; I147-D205 WeakPolarHBondContact CG2-OD2 3.39Å
148H90Very high92.3Very high1 Ų113.9 Ų13.91%0.0058%0.081CC..  trans-71.5-46.5-176.8-174-74.4000112.3L138 D150 L151 L167 D205L138-H148 HydrophobicContact CD2-CB 4.32Å; H148-D150 VanDerWaalsContact CE1-C 3.44Å; H148-D150 PolarHBondContact CE1-O 2.98Å; H148-D150 VanDerWaalsContact ND1-C 3.34Å; H148-D150 PolarHBondContact ND1-N 3.11Å; H148-D150 PolarHBondContact O-N 3.08Å; H148-L151 PolarHBondContact ND1-N 3.38Å; H148-L151 VanDerWaalsContact ND1-N 3.13Å; H148-L167 PolarHBondContact NE2-O 3.43Å; H148-D205 WeakPolarHBondContact CB-OD2 3.39Å; H148-D205 PolarHBondContact N-OD2 3.22Å
149R85.3Confident91.9Very high16 Ų1615.1 Ų15.16%0.069%0.088CC..  trans66.4-18.1173.5-55.3-180178.8-162.5-9.8117.6I147 S174 T175 A177 Y200 D205I147-R149 HydrophobicContact CB-CG 3.94Å; I147-R149 HydrophobicContact CG2-CG 3.5Å; I147-R149 VanDerWaalsContact CG2-CG 3.5Å; R149-S174 PolarHBondContact NH2-O 3.15Å; R149-T175 PolarHBondContact NH2-O 3.33Å; R149-A177 PolarHBondContact NH1-O 2.95Å; R149-Y200 VanDerWaalsContact CZ-OH 3.3Å; R149-Y200 PolarHBondContact NH1-OH 3.29Å; R149-Y200 VanDerWaalsContact NH2-CE2 3.32Å; R149-D205 PolarHBondContact N-OD1 3.27Å
150D85Confident91.3Very high10 Ų1019.2 Ų19.25%0.05311%0.108CC..  trans-126.839.8176.8-158.159.7000111.9H148 K152 N155 L171 R189H148-D150 VanDerWaalsContact CE1-C 3.44Å; H148-D150 PolarHBondContact CE1-O 2.98Å; H148-D150 VanDerWaalsContact ND1-C 3.34Å; H148-D150 PolarHBondContact ND1-N 3.11Å; H148-D150 PolarHBondContact O-N 3.08Å; D150-K152 PolarHBondContact O-N 2.96Å; D150-K152 IonicContact OD2-NZ 3.8Å; D150-K152 PolarHBondContact OD2-NZ 3.09Å; D150-N155 PolarHBondContact O-ND2 3.45Å; D150-L171 HydrophobicContact CB-CD1 3.93Å; D150-R189 IonicContact OD1-CZ 3.43Å; D150-R189 IonicContact OD1-NE 2.84Å; D150-R189 IonicContact OD1-NH2 3.81Å; D150-R189 PolarHBondContact OD1-NH2 3.49Å; D150-R189 VanDerWaalsContact OD1-NH2 3.12Å
151L92.1Very high90.8Very high2 Ų222.3 Ų22.31%0.0113%0.125CC..  trans-70.4126.9179-163.674.6000109.7L138 H148 L156 I166 Y188 V209 I212L138-L151 HydrophobicContact CD1-CD2 4.07Å; H148-L151 PolarHBondContact ND1-N 3.38Å; H148-L151 VanDerWaalsContact ND1-N 3.13Å; L151-L156 HydrophobicContact CD1-CD2 3.87Å; L151-L156 HydrophobicContact CD1-CG 4.38Å; L151-I166 HydrophobicContact CD1-CG2 4.09Å; L151-Y188 VanDerWaalsContact O-CB 3.31Å; L151-Y188 WeakPolarHBondContact O-CB 3.12Å; L151-V209 HydrophobicContact CD2-CG2 3.62Å; L151-I212 HydrophobicContact CD2-CD1 4.18Å; L151-I212 HydrophobicContact CG-CD1 4.06Å
152K92Very high90.6Very high43 Ų4322.3 Ų22.319%0.18713%0.125CC..  trans-158.7162.3-178.465.7-164.5179-151.90109.2D150 G154 N155 Y188D150-K152 PolarHBondContact O-N 2.96Å; D150-K152 IonicContact OD2-NZ 3.8Å; D150-K152 PolarHBondContact OD2-NZ 3.09Å; K152-G154 PolarHBondContact O-N 3.39Å; K152-G154 VanDerWaalsContact O-N 3.08Å; K152-N155 WeakPolarHBondContact CE-ND2 3.46Å; K152-N155 HydrophobicContact CG-CB 4.22Å; K152-N155 PolarHBondContact O-N 3.29Å; K152-Y188 HydrophobicContact CB-CD2 3.53Å; K152-Y188 HydrophobicContact CB-CE2 4Å; K152-Y188 HydrophobicContact CB-CG 4.1Å
153P93.6Very high90.4Very high8 Ų824.6 Ų24.65%0.05214%0.136CC..G310 helixtrans-54.5-34-178-29.237.4000114.4L115 S116 N155 L156 Y188 I212L115-P153 HydrophobicContact CB-CB 3.87Å; L115-P153 PolarHBondContact N-O 3.36Å; S116-P153 PolarHBondContact N-O 3.36Å; P153-N155 PolarHBondContact O-N 3.35Å; P153-L156 PolarHBondContact O-N 3.39Å; P153-Y188 VanDerWaalsContact CD-CE2 3.46Å; P153-Y188 HydrophobicContact CG-CE1 3.82Å; P153-Y188 HydrophobicContact CG-CE2 4.32Å; P153-I212 HydrophobicContact CG-CG1 4.19Å
154G90.1Very high90.4Very high25 Ų2521.1 Ų21.126%0.25812%0.121SC..G310 helixtrans-69.9-16177.100000115K152K152-G154 PolarHBondContact O-N 3.39Å; K152-G154 VanDerWaalsContact O-N 3.08Å
155N92.7Very high90.6Very high12 Ų1222.4 Ų22.46%0.06413%0.126CC..G310 helixtrans-99.711.3175.3-71.1-7.7000112D150 K152 P153 L167D150-N155 PolarHBondContact O-ND2 3.45Å; K152-N155 WeakPolarHBondContact CE-ND2 3.46Å; K152-N155 HydrophobicContact CG-CB 4.22Å; K152-N155 PolarHBondContact O-N 3.29Å; P153-N155 PolarHBondContact O-N 3.35Å; N155-L167 WeakPolarHBondContact O-CB 3.45Å; N155-L167 PolarHBondContact O-N 3.37Å
156L94.8Very high90.9Very high0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-119.897.1178.4-66.5175000108.4D114 L115 M134 L151 P153 L164 I166 I212D114-L156 CarbonylContact C-O 3.52Å; D114-L156 VanDerWaalsContact CA-O 3.27Å; D114-L156 WeakPolarHBondContact CA-O 3.35Å; L115-L156 HydrophobicContact CB-CB 4.28Å; L115-L156 HydrophobicContact CD1-CB 3.8Å; L115-L156 HydrophobicContact CD1-CD1 3.77Å; L115-L156 HydrophobicContact CD1-CG 4.45Å; L115-L156 HydrophobicContact CG-CB 4.02Å; L115-L156 PolarHBondContact N-O 3.38Å; M134-L156 HydrophobicContact CE-CD1 3.78Å; M134-L156 HydrophobicContact CG-CD1 4.14Å; M134-L156 HydrophobicContact CG-CD2 4.07Å; M134-L156 HydrophobicContact SD-CD1 3.56Å; M134-L156 VanDerWaalsContact SD-CD1 3.56Å; L151-L156 HydrophobicContact CD1-CD2 3.87Å; L151-L156 HydrophobicContact CD1-CG 4.38Å; P153-L156 PolarHBondContact O-N 3.39Å; L156-L164 HydrophobicContact CB-CD1 4.21Å; L156-L164 HydrophobicContact CD2-CD1 4.21Å; L156-L164 HydrophobicContact CD2-CD2 4.1Å; L156-L164 HydrophobicContact CD2-CG 4.46Å; L156-I166 HydrophobicContact CD2-CG1 3.88Å; L156-I212 HydrophobicContact CD1-CD1 3.74Å; L156-I212 HydrophobicContact CD1-CG2 4.08Å
157A93.4Very high90.9Very high3 Ų322.6 Ų22.63%0.02512%0.117CC..EExtended strand (participates in β ladder)trans-80.9139.7179.400000110.6M111 T113 L164 K165 L167M111-A157 HydrophobicContact CB-CB 3.57Å; M111-A157 HydrophobicContact CE-CB 4.2Å; M111-A157 WeakPolarHBondContact CE-O 3.41Å; M111-A157 HydrophobicContact CG-CB 3.57Å; T113-A157 CarbonylContact O-C 3.57Å; T113-A157 WeakPolarHBondContact O-CA 3.33Å; A157-L164 CarbonylContact O-C 3.59Å; A157-L164 VanDerWaalsContact O-CA 3.29Å; A157-L164 WeakPolarHBondContact O-CA 3.42Å; A157-K165 PolarHBondContact N-O 2.75Å; A157-K165 PolarHBondContact O-N 2.68Å; A157-L167 HydrophobicContact CB-CD1 3.76Å; A157-L167 HydrophobicContact CB-CD2 3.74Å; A157-L167 HydrophobicContact CB-CG 3.76Å
158V93.4Very high90.2Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-133.3148.8179.7-64.40000111.8Y112 T113 L115 V118 L130 E163 L164 M366Y112-V158 PolarHBondContact N-O 3.37Å; T113-V158 HydrophobicContact CG2-CG2 3.63Å; T113-V158 PolarHBondContact N-O 2.9Å; T113-V158 PolarHBondContact O-N 2.84Å; T113-V158 VanDerWaalsContact O-O 3.1Å; L115-V158 HydrophobicContact CD2-CG1 3.68Å; L115-V158 HydrophobicContact CD2-CG2 4.07Å; L115-V158 HydrophobicContact CG-CG1 3.9Å; V118-V158 HydrophobicContact CG2-CG2 4.32Å; L130-V158 HydrophobicContact CD2-CG1 3.87Å; V158-E163 VanDerWaalsContact CA-O 3.23Å; V158-E163 WeakPolarHBondContact CA-O 3.36Å; V158-L164 HydrophobicContact CG1-CB 4.22Å; V158-L164 HydrophobicContact CG1-CD1 4.23Å; V158-L164 HydrophobicContact CG1-CG 4.36Å; V158-M366 HydrophobicContact CG2-CE 4.38Å
159N88.4Confident89.2Confident26 Ų2625 Ų2514%0.13913%0.13CC..  trans-104.8-175.8170.672.46.6000112.2M111 D161 C162 E163 M366M111-N159 HydrophobicContact CE-CB 4.43Å; N159-D161 PolarHBondContact O-N 3.23Å; N159-D161 PolarHBondContact OD1-N 3.19Å; N159-C162 PolarHBondContact O-N 3.44Å; N159-C162 PolarHBondContact OD1-N 3.28Å; N159-E163 PolarHBondContact N-O 3.21Å; N159-E163 VanDerWaalsContact N-O 3.13Å; N159-E163 PolarHBondContact ND2-OE2 2.79Å; N159-E163 VanDerWaalsContact OD1-CB 3.31Å; N159-E163 WeakPolarHBondContact OD1-CB 3.43Å; N159-E163 PolarHBondContact OD1-N 3.2Å; N159-M366 WeakPolarHBondContact O-CG 3.31Å
160Q85.1Confident87.8Confident107 Ų10724.6 Ų24.650%0.513%0.131SC..THydrogen-bonded Turntrans-67.2-21-178.5-68.9-178.8-32.300112.7Y112 C162 T365 M366Y112-Q160 HydrophobicContact CD1-CG 4.27Å; Y112-Q160 HydrophobicContact CD2-CG 4.3Å; Y112-Q160 HydrophobicContact CG-CG 4.14Å; Q160-C162 VanDerWaalsContact C-N 3.33Å; Q160-T365 CarbonylContact O-C 3.44Å; Q160-T365 WeakPolarHBondContact O-CA 3.49Å; Q160-M366 PolarHBondContact O-N 3.21Å
161D85.8Confident86.6Confident79 Ų7927.4 Ų27.442%0.42215%0.146SC..THydrogen-bonded Turntrans-98.927.6179.7-52.7-55.5000111.2N159 E163 N362 L364N159-D161 PolarHBondContact O-N 3.23Å; N159-D161 PolarHBondContact OD1-N 3.19Å; D161-E163 HydrophobicContact CB-CG 4.35Å; D161-E163 PolarHBondContact O-N 3.21Å; D161-N362 PolarHBondContact O-ND2 3.02Å; D161-L364 CarbonylContact C-O 3.48Å
162C89.2Confident84.8Confident0 Ų027.4 Ų27.40%015%0.146CC..  trans5319-178.4-61.90000115F129 Q133 N159 Q160 L364 M366F129-C162 HydrophobicContact CD1-CB 3.91Å; F129-C162 HydrophobicContact CE1-CB 4.11Å; Q133-C162 PolarHBondContact NE2-O 3.22Å; N159-C162 PolarHBondContact O-N 3.44Å; N159-C162 PolarHBondContact OD1-N 3.28Å; Q160-C162 VanDerWaalsContact C-N 3.33Å; C162-L364 HydrophobicContact CB-CB 4.44Å; C162-M366 HydrophobicContact CB-CG 4.37Å; C162-M366 WeakPolarHBondContact SG-CG 3.49Å
163E91.7Very high83.3Confident60 Ų6029.2 Ų29.228%0.2815%0.151SC..  trans-77132.2175.7-56.1-174.913200109.1M111 V158 N159 D161 S358M111-E163 VanDerWaalsContact CE-O 3.32Å; M111-E163 WeakPolarHBondContact CE-O 3.26Å; V158-E163 VanDerWaalsContact CA-O 3.23Å; V158-E163 WeakPolarHBondContact CA-O 3.36Å; N159-E163 PolarHBondContact N-O 3.21Å; N159-E163 VanDerWaalsContact N-O 3.13Å; N159-E163 PolarHBondContact ND2-OE2 2.79Å; N159-E163 VanDerWaalsContact OD1-CB 3.31Å; N159-E163 WeakPolarHBondContact OD1-CB 3.43Å; N159-E163 PolarHBondContact OD1-N 3.2Å; D161-E163 HydrophobicContact CB-CG 4.35Å; D161-E163 PolarHBondContact O-N 3.21Å; E163-S358 WeakPolarHBondContact OE1-CB 3.48Å
164L94.9Very high81.4Confident1 Ų129.9 Ų29.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-112.3138.7-174179.8147.5000111.4N84 L115 L130 Q133 M134 L156 A157 V158 I166N84-L164 VanDerWaalsContact CA-O 3.26Å; N84-L164 WeakPolarHBondContact CA-O 3.19Å; N84-L164 PolarHBondContact ND2-O 3.11Å; L115-L164 HydrophobicContact CD1-CD1 4.14Å; L130-L164 HydrophobicContact CD2-CB 4.18Å; L130-L164 HydrophobicContact CD2-CD1 4.05Å; Q133-L164 HydrophobicContact CB-CB 4.03Å; Q133-L164 HydrophobicContact CB-CD2 4.36Å; M134-L164 HydrophobicContact CE-CD1 3.69Å; M134-L164 HydrophobicContact CG-CD1 3.6Å; M134-L164 HydrophobicContact CG-CD2 3.97Å; M134-L164 HydrophobicContact CG-CG 4.46Å; M134-L164 HydrophobicContact SD-CD1 4.44Å; L156-L164 HydrophobicContact CB-CD1 4.21Å; L156-L164 HydrophobicContact CD2-CD1 4.21Å; L156-L164 HydrophobicContact CD2-CD2 4.1Å; L156-L164 HydrophobicContact CD2-CG 4.46Å; A157-L164 CarbonylContact O-C 3.59Å; A157-L164 VanDerWaalsContact O-CA 3.29Å; A157-L164 WeakPolarHBondContact O-CA 3.42Å; V158-L164 HydrophobicContact CG1-CB 4.22Å; V158-L164 HydrophobicContact CG1-CD1 4.23Å; V158-L164 HydrophobicContact CG1-CG 4.36Å; L164-I166 HydrophobicContact CD2-CG1 4.13Å
165K95.3Very high79.4Confident32 Ų3232.1 Ų32.114%0.13917%0.165CC..EExtended strand (participates in β ladder)trans-128.6127.8166.4-65.8-174.7-172.2-69.70110.7V83 N84 I86 P109 M111 A157V83-K165 PolarHBondContact O-NZ 3.33Å; N84-K165 WeakPolarHBondContact O-CA 3.29Å; I86-K165 HydrophobicContact CD1-CB 4.45Å; I86-K165 HydrophobicContact CD1-CD 3.84Å; P109-K165 HydrophobicContact CB-CD 4.49Å; M111-K165 HydrophobicContact CE-CB 4.18Å; M111-K165 HydrophobicContact CE-CD 4.38Å; M111-K165 HydrophobicContact CE-CG 4.02Å; M111-K165 HydrophobicContact SD-CB 4.45Å; M111-K165 HydrophobicContact SD-CD 3.78Å; M111-K165 HydrophobicContact SD-CG 4.1Å; A157-K165 PolarHBondContact N-O 2.75Å; A157-K165 PolarHBondContact O-N 2.68Å
166I95.8Very high77Confident0 Ų038.3 Ų38.30%020%0.198CC..EExtended strand (participates in β ladder)trans-69131.1170.9-59.2171.4000108.9N84 I86 L138 I141 L151 L156 L164N84-I166 PolarHBondContact O-N 3.11Å; I86-I166 WeakPolarHBondContact CB-O 3.48Å; I86-I166 VanDerWaalsContact CG2-O 3.26Å; I86-I166 WeakPolarHBondContact CG2-O 3.33Å; I86-I166 PolarHBondContact N-O 3.1Å; L138-I166 HydrophobicContact CD2-CD1 4.23Å; L138-I166 HydrophobicContact CG-CD1 4.04Å; I141-I166 HydrophobicContact CD1-CB 4.46Å; I141-I166 HydrophobicContact CD1-CD1 3.9Å; I141-I166 HydrophobicContact CD1-CG2 4.16Å; L151-I166 HydrophobicContact CD1-CG2 4.09Å; L156-I166 HydrophobicContact CD2-CG1 3.88Å; L164-I166 HydrophobicContact CD2-CG1 4.13Å
167L90.2Very high74.5Confident47 Ų4738.9 Ų38.925%0.24620%0.203CC..  trans-111.5171.7-178.4-55.2-171.7000112.7I86 H148 N155 A157I86-L167 HydrophobicContact CB-CD2 3.74Å; I86-L167 HydrophobicContact CD1-CD2 4.07Å; I86-L167 HydrophobicContact CG1-CD2 3.9Å; I86-L167 HydrophobicContact CG2-CD2 4Å; H148-L167 PolarHBondContact NE2-O 3.43Å; N155-L167 WeakPolarHBondContact O-CB 3.45Å; N155-L167 PolarHBondContact O-N 3.37Å; A157-L167 HydrophobicContact CB-CD1 3.76Å; A157-L167 HydrophobicContact CB-CD2 3.74Å; A157-L167 HydrophobicContact CB-CG 3.76Å
168D76.4Confident71.9Confident52 Ų5246.1 Ų46.128%0.27824%0.236SC..  trans53.780.2164.3-164.58.2000116.4G170D168-G170 PolarHBondContact O-N 2.9Å; D168-G170 WeakPolarHBondContact OD1-CA 3.49Å; D168-G170 PolarHBondContact OD1-N 2.92Å
169F67.4Low69.6Low2 Ų249.2 Ų49.21%0.00925%0.252CS..  trans-80.710.3168.9-61.8-78.3000114.2L76 M80 V85 I86 I141 L171 A172L76-F169 HydrophobicContact CB-CB 4.07Å; L76-F169 HydrophobicContact CB-CD2 4.46Å; L76-F169 HydrophobicContact CB-CG 4.26Å; L76-F169 HydrophobicContact CD1-CB 3.52Å; L76-F169 HydrophobicContact CD1-CG 4.29Å; L76-F169 HydrophobicContact CG-CB 4.39Å; M80-F169 HydrophobicContact CE-CE1 4.19Å; M80-F169 HydrophobicContact CE-CZ 4.38Å; M80-F169 HydrophobicContact CG-CE2 4.09Å; M80-F169 HydrophobicContact CG-CZ 4.04Å; M80-F169 HydrophobicContact SD-CZ 4.49Å; V85-F169 HydrophobicContact CG1-CE2 3.81Å; V85-F169 HydrophobicContact CG1-CZ 3.4Å; V85-F169 VanDerWaalsContact CG1-CZ 3.4Å; I86-F169 HydrophobicContact CG2-CE2 4.18Å; I141-F169 HydrophobicContact CD1-CE1 3.73Å; I141-F169 HydrophobicContact CD1-CZ 3.89Å; I141-F169 HydrophobicContact CG1-CE1 4Å; I141-F169 HydrophobicContact CG1-CZ 4.21Å; I141-F169 HydrophobicContact CG2-CE1 4.26Å; F169-L171 PolarHBondContact O-N 2.92Å; F169-A172 HydrophobicContact CB-CB 4.01Å; F169-A172 HydrophobicContact CD1-CB 3.89Å; F169-A172 HydrophobicContact CG-CB 4.49Å; F169-A172 WeakPolarHBondContact O-CB 3.38Å; F169-A172 PolarHBondContact O-N 3.34Å
170G56.9Low67.2Low8 Ų853.2 Ų53.28%0.08228%0.277CS..THydrogen-bonded Turntrans-60-16-173.400000114.5D168D168-G170 PolarHBondContact O-N 2.9Å; D168-G170 WeakPolarHBondContact OD1-CA 3.49Å; D168-G170 PolarHBondContact OD1-N 2.92Å
171L59.6Low64.9Low69 Ų6951.1 Ų51.136%0.36128%0.284SS..THydrogen-bonded Turntrans-116.7-6.2174.6-61.3176.9000114R72 D150 F169 R173R72-L171 PolarHBondContact NH2-O 3.2Å; D150-L171 HydrophobicContact CB-CD1 3.93Å; F169-L171 PolarHBondContact O-N 2.92Å; L171-R173 WeakPolarHBondContact O-CG 3.36Å; L171-R173 PolarHBondContact O-N 3.48Å
172A55.1Low62.6Low1 Ų156.2 Ų56.21%0.00830%0.299CS..  trans-69.5108.4-173.700000113.1R72 I146 I147 F169R72-A172 PolarHBondContact NE-O 3.49Å; R72-A172 PolarHBondContact NH1-O 2.86Å; R72-A172 VanDerWaalsContact NH1-O 3.13Å; R72-A172 VanDerWaalsContact NH2-N 3.14Å; R72-A172 PolarHBondContact NH2-O 3.44Å; I146-A172 HydrophobicContact CG2-CB 3.88Å; I147-A172 CarbonylContact O-C 3.47Å; I147-A172 WeakPolarHBondContact O-CA 3.39Å; I147-A172 VanDerWaalsContact O-CB 3.28Å; I147-A172 WeakPolarHBondContact O-CB 3.47Å; F169-A172 HydrophobicContact CB-CB 4.01Å; F169-A172 HydrophobicContact CD1-CB 3.89Å; F169-A172 HydrophobicContact CG-CB 4.49Å; F169-A172 WeakPolarHBondContact O-CB 3.38Å; F169-A172 PolarHBondContact O-N 3.34Å
173R60.5Low60.5Low81 Ų8162.3 Ų62.331%0.30634%0.336SS..BIsolated β-bridgetrans-109159.8-177.7-48.1-156.6167.4-140.58111.7I147 L171 A177I147-R173 PolarHBondContact N-O 3.38Å; I147-R173 PolarHBondContact O-N 3.35Å; L171-R173 WeakPolarHBondContact O-CG 3.36Å; L171-R173 PolarHBondContact O-N 3.48Å; R173-A177 HydrophobicContact CB-CB 3.99Å; R173-A177 HydrophobicContact CG-CB 4.25Å
174S52.5Low59Low23 Ų2362.1 Ų62.116%0.16134%0.338CS..  trans-53.1156.4158.4-175.70000111R149 D176 D327R149-S174 PolarHBondContact NH2-O 3.15Å; S174-D176 PolarHBondContact O-N 3.37Å; S174-D327 WeakPolarHBondContact CB-OD2 3.35Å; S174-D327 PolarHBondContact OG-OD2 2.9Å
175T48.5Very low57.7Low71 Ų7165.3 Ų65.344%0.43636%0.358SS..THydrogen-bonded Turntrans-51.5-30.2-168.749.70000113.8I147 R149I147-T175 HydrophobicContact CD1-CG2 3.98Å; I147-T175 HydrophobicContact CG1-CG2 4.47Å; R149-T175 PolarHBondContact NH2-O 3.33Å
176D41.7Very low57Low143 Ų14365.3 Ų65.377%0.76536%0.357SS*.THydrogen-bonded Turntrans-99.47.9-162.1-57.8-16000116S174S174-D176 PolarHBondContact O-N 3.37Å
177A42.5Very low56.9Low12 Ų1268.7 Ų68.710%0.09937%0.37CS..PPolyproline II helixtrans-102129-173.100000114.8R149 R173 Y200R149-A177 PolarHBondContact NH1-O 2.95Å; R173-A177 HydrophobicContact CB-CB 3.99Å; R173-A177 HydrophobicContact CG-CB 4.25Å; A177-Y200 PolarHBondContact O-OH 2.89Å
178E39.4Very low57Low155 Ų15567.4 Ų67.472%0.72436%0.362SS*.PPolyproline II helixtrans-69.9159.2178.8-67-172.7166.700115
179M43.6Very low57.7Low65 Ų6565.9 Ų65.932%0.3235%0.352SS..PPolyproline II helixtrans-94.3135.4178.6-75.5-161.967.500113.6V193M179-V193 HydrophobicContact SD-CG1 3.44Å; M179-V193 WeakPolarHBondContact SD-CG1 3.36Å
180T38.6Very low58.8Low109 Ų10965.8 Ų65.867%0.66935%0.352SS*.PPolyproline II helixtrans-84.6122.5163.252.80000110.2Y182T180-Y182 PolarHBondContact O-N 2.97Å; T180-Y182 VanDerWaalsContact O-N 3.1Å
181G36.2Very low60.3Low64 Ų6465.5 Ų65.566%0.6635%0.349SS*.  trans-64.3105.8178.900000112.7
182Y39.3Very low61.4Low186 Ų18662.5 Ų62.573%0.72933%0.333SS*.  trans-132.1147.5169.5-104.7-92.4000111.5T180 V184T180-Y182 PolarHBondContact O-N 2.97Å; T180-Y182 VanDerWaalsContact O-N 3.1Å; Y182-V184 PolarHBondContact O-N 3.27Å; Y182-V184 VanDerWaalsContact O-N 3.09Å
183V44.7Very low62.7Low127 Ų12763 Ų6377%0.7734%0.336SS*.  trans-70.197.8-176.2-176.80000110.5
184V60.8Low63.5Low56 Ų5659.8 Ų59.834%0.33933%0.325SS..  trans-133.4163.2170.2-174.90000107.9Y182 R186Y182-V184 PolarHBondContact O-N 3.27Å; Y182-V184 VanDerWaalsContact O-N 3.09Å; V184-R186 WeakPolarHBondContact O-CG 3.39Å; V184-R186 PolarHBondContact O-N 3.46Å; V184-R186 PolarHBondContact O-NH1 2.95Å; V184-R186 VanDerWaalsContact O-NH1 3.07Å
185T66.3Low64.3Low68 Ų6860.2 Ų60.242%0.41733%0.325SS..  trans-51.9122.5172.5-49.40000111.3W187T185-W187 HydrophobicContact CG2-CB 4.22Å; T185-W187 HydrophobicContact CG2-CD2 3.63Å; T185-W187 HydrophobicContact CG2-CE3 3.78Å; T185-W187 HydrophobicContact CG2-CG 3.84Å; T185-W187 HydrophobicContact CG2-CZ3 4.4Å
186R81.3Confident65.2Low33 Ų3360 Ų6013%0.12532%0.321CS..  trans-104.1-2-176-67.8168-174.785.5-5.6114.1V184 Y188 R189 Y228V184-R186 WeakPolarHBondContact O-CG 3.39Å; V184-R186 PolarHBondContact O-N 3.46Å; V184-R186 PolarHBondContact O-NH1 2.95Å; V184-R186 VanDerWaalsContact O-NH1 3.07Å; R186-Y188 PolarHBondContact O-N 3.25Å; R186-R189 WeakPolarHBondContact O-CB 3.15Å; R186-R189 PolarHBondContact O-N 3.31Å; R186-Y228 PolarHBondContact NE-OH 3.11Å; R186-Y228 PolarHBondContact NH2-OH 3.37Å
187W92.4Very high66.3Low71 Ų7153.4 Ų53.427%0.26929%0.286SS..THydrogen-bonded Turntrans-59.9-23.5-166.5-58.4-19.2000115T185 T221 F223 K224 G225 Q231T185-W187 HydrophobicContact CG2-CB 4.22Å; T185-W187 HydrophobicContact CG2-CD2 3.63Å; T185-W187 HydrophobicContact CG2-CE3 3.78Å; T185-W187 HydrophobicContact CG2-CG 3.84Å; T185-W187 HydrophobicContact CG2-CZ3 4.4Å; W187-T221 HydrophobicContact CB-CG2 3.81Å; W187-T221 HydrophobicContact CD2-CG2 4.04Å; W187-T221 HydrophobicContact CE3-CG2 3.67Å; W187-T221 HydrophobicContact CG-CG2 4.13Å; W187-F223 WeakPolarHBondContact CA-O 3.27Å; W187-F223 WeakPolarHBondContact CB-O 3.02Å; W187-K224 HydrophobicContact CD2-CG 4.26Å; W187-K224 HydrophobicContact CH2-CD 4.3Å; W187-K224 HydrophobicContact CH2-CG 4.16Å; W187-K224 HydrophobicContact CZ2-CD 4.24Å; W187-K224 HydrophobicContact CZ2-CG 3.67Å; W187-G225 PolarHBondContact NE1-O 2.94Å; W187-G225 VanDerWaalsContact NE1-O 3.07Å; W187-Q231 PolarHBondContact O-NE2 3.08Å
188Y93.8Very high67.1Low19 Ų1954.8 Ų54.88%0.07529%0.291CS..THydrogen-bonded Turntrans-1080.5-178.7-49.9-82.5000113.1L151 K152 P153 R186 S208 C211 I212 E215L151-Y188 VanDerWaalsContact O-CB 3.31Å; L151-Y188 WeakPolarHBondContact O-CB 3.12Å; K152-Y188 HydrophobicContact CB-CD2 3.53Å; K152-Y188 HydrophobicContact CB-CE2 4Å; K152-Y188 HydrophobicContact CB-CG 4.1Å; P153-Y188 VanDerWaalsContact CD-CE2 3.46Å; P153-Y188 HydrophobicContact CG-CE1 3.82Å; P153-Y188 HydrophobicContact CG-CE2 4.32Å; R186-Y188 PolarHBondContact O-N 3.25Å; Y188-S208 WeakPolarHBondContact O-CA 3.36Å; Y188-S208 WeakPolarHBondContact O-CB 3.5Å; Y188-S208 PolarHBondContact O-OG 3.15Å; Y188-C211 HydrophobicContact CD1-CB 3.79Å; Y188-I212 HydrophobicContact CD1-CG1 3.68Å; Y188-I212 HydrophobicContact CE1-CG1 4Å; Y188-E215 WeakPolarHBondContact CE1-OE2 3.39Å; Y188-E215 VanDerWaalsContact CZ-OE2 3.22Å; Y188-E215 PolarHBondContact OH-OE1 3.05Å; Y188-E215 PolarHBondContact OH-OE2 3.05Å
189R90.6Very high68.3Low20 Ų2056.5 Ų56.58%0.07530%0.298CS..SBendtrans-79.1140.4-178.4-66.9-174.8-179.8176.9-1.2110.5D150 R186 I194 W207D150-R189 IonicContact OD1-CZ 3.43Å; D150-R189 IonicContact OD1-NE 2.84Å; D150-R189 IonicContact OD1-NH2 3.81Å; D150-R189 PolarHBondContact OD1-NH2 3.49Å; D150-R189 VanDerWaalsContact OD1-NH2 3.12Å; R186-R189 WeakPolarHBondContact O-CB 3.15Å; R186-R189 PolarHBondContact O-N 3.31Å; R189-I194 HydrophobicContact CB-CD1 4.25Å; R189-I194 HydrophobicContact CB-CG1 3.91Å; R189-I194 WeakPolarHBondContact O-CD1 3.44Å; R189-W207 PolarHBondContact O-NE1 2.95Å; R189-W207 VanDerWaalsContact O-NE1 3.15Å
190A90.8Very high69.6Low1 Ų154.6 Ų54.61%0.00829%0.287CS..  trans-62146.7173.800000111.3E192 V193 I194 V204 W207A190-E192 HydrophobicContact CB-CG 4.47Å; A190-E192 WeakPolarHBondContact CB-OE1 3.45Å; A190-E192 WeakPolarHBondContact CB-OE2 3.33Å; A190-E192 PolarHBondContact O-N 2.95Å; A190-V193 HydrophobicContact CB-CG2 4.18Å; A190-V193 WeakPolarHBondContact O-CB 3.33Å; A190-V193 PolarHBondContact O-N 3.35Å; A190-I194 WeakPolarHBondContact O-CG1 3.35Å; A190-I194 PolarHBondContact O-N 3.26Å; A190-I194 VanDerWaalsContact O-N 3.11Å; A190-V204 HydrophobicContact CB-CB 4.07Å; A190-V204 HydrophobicContact CB-CG1 4.15Å; A190-W207 HydrophobicContact CB-CB 3.79Å; A190-W207 HydrophobicContact CB-CD2 4.47Å; A190-W207 HydrophobicContact CB-CG 3.8Å
191P88.1Confident71.8Confident2 Ų252.1 Ų52.11%0.01327%0.272CS..Hα-helixtrans-56.7-35.3-177.521.4-31.9000112.6V193 I194 L195 W207 L232 I235 L293P191-V193 VanDerWaalsContact C-N 3.35Å; P191-V193 PolarHBondContact O-N 3.15Å; P191-I194 WeakPolarHBondContact O-CB 3.44Å; P191-I194 PolarHBondContact O-N 3.09Å; P191-L195 WeakPolarHBondContact O-CG 3.25Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-L195 VanDerWaalsContact O-N 3.07Å; P191-W207 HydrophobicContact CG-CH2 4.32Å; P191-W207 HydrophobicContact CG-CZ3 4.36Å; P191-L232 HydrophobicContact CB-CD1 4.12Å; P191-I235 HydrophobicContact CB-CD1 4.34Å; P191-L293 HydrophobicContact CG-CD2 4.16Å
192E83.8Confident74.4Confident6 Ų652.2 Ų52.23%0.02826%0.256CS..Hα-helixtrans-69.4-28.8177.368.1-82.4-166.300114.8A190 N196 W197 M198 V204 R298A190-E192 HydrophobicContact CB-CG 4.47Å; A190-E192 WeakPolarHBondContact CB-OE1 3.45Å; A190-E192 WeakPolarHBondContact CB-OE2 3.33Å; A190-E192 PolarHBondContact O-N 2.95Å; E192-N196 WeakPolarHBondContact O-CA 3.27Å; E192-N196 PolarHBondContact O-N 3.35Å; E192-W197 VanDerWaalsContact CA-CD1 3.47Å; E192-W197 PolarHBondContact O-N 3.14Å; E192-M198 HydrophobicContact CB-CB 4.31Å; E192-V204 HydrophobicContact CG-CG1 4.28Å; E192-V204 WeakPolarHBondContact OE1-CG1 3.21Å; E192-R298 IonicContact OE1-CZ 2.95Å; E192-R298 IonicContact OE1-NH1 3.45Å; E192-R298 PolarHBondContact OE1-NH1 3.07Å; E192-R298 IonicContact OE1-NH2 2.65Å; E192-R298 PolarHBondContact OE1-NH2 2.84Å; E192-R298 IonicContact OE2-CZ 3.31Å; E192-R298 IonicContact OE2-NH1 3.42Å; E192-R298 IonicContact OE2-NH2 2.68Å; E192-R298 PolarHBondContact OE2-NH2 3.01Å
193V80.5Confident77Confident12 Ų1243.8 Ų43.87%0.07322%0.223CC..Hα-helixtrans-75.2-35.4172.6178.90000110.7M179 A190 P191 L195 Y200 V204M179-V193 HydrophobicContact SD-CG1 3.44Å; M179-V193 WeakPolarHBondContact SD-CG1 3.36Å; A190-V193 HydrophobicContact CB-CG2 4.18Å; A190-V193 WeakPolarHBondContact O-CB 3.33Å; A190-V193 PolarHBondContact O-N 3.35Å; P191-V193 VanDerWaalsContact C-N 3.35Å; P191-V193 PolarHBondContact O-N 3.15Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-Y200 HydrophobicContact CG2-CG 4.41Å; V193-V204 HydrophobicContact CG2-CB 3.93Å; V193-V204 HydrophobicContact CG2-CG1 3.49Å; V193-V204 VanDerWaalsContact CG2-CG1 3.49Å
194I77.4Confident79.3Confident13 Ų1337.8 Ų37.87%0.06719%0.187CC..Hα-helixtrans-66.1-38.4177.9-68.5166.8000110.8R189 A190 P191 Y228 Q231 I235R189-I194 HydrophobicContact CB-CD1 4.25Å; R189-I194 HydrophobicContact CB-CG1 3.91Å; R189-I194 WeakPolarHBondContact O-CD1 3.44Å; A190-I194 WeakPolarHBondContact O-CG1 3.35Å; A190-I194 PolarHBondContact O-N 3.26Å; A190-I194 VanDerWaalsContact O-N 3.11Å; P191-I194 WeakPolarHBondContact O-CB 3.44Å; P191-I194 PolarHBondContact O-N 3.09Å; I194-Y228 HydrophobicContact CG2-CD1 3.78Å; I194-Q231 HydrophobicContact CD1-CG 3.54Å; I194-I235 HydrophobicContact CD1-CD1 3.96Å
195L70.5Confident81Confident32 Ų3235.1 Ų35.117%0.16817%0.171CC..Hα-helixtrans-95.3-9.5-174.7-66.5166.4000113.4P191 V193 W197 L232 A257P191-L195 WeakPolarHBondContact O-CG 3.25Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-L195 VanDerWaalsContact O-N 3.07Å; V193-L195 VanDerWaalsContact C-N 3.32Å; L195-W197 HydrophobicContact CB-CB 4.01Å; L195-W197 HydrophobicContact CB-CD2 3.52Å; L195-W197 HydrophobicContact CB-CE3 4.01Å; L195-W197 HydrophobicContact CB-CG 3.51Å; L195-W197 HydrophobicContact CD1-CD2 3.61Å; L195-W197 VanDerWaalsContact CD1-CE2 3.44Å; L195-W197 HydrophobicContact CD1-CE3 3.65Å; L195-W197 HydrophobicContact CD1-CG 4.47Å; L195-W197 HydrophobicContact CD1-CH2 3.3Å; L195-W197 HydrophobicContact CD1-CZ2 3.3Å; L195-W197 HydrophobicContact CD1-CZ3 3.48Å; L195-W197 VanDerWaalsContact CD1-CZ3 3.48Å; L195-W197 HydrophobicContact CG-CD2 4.18Å; L195-W197 HydrophobicContact CG-CE3 4.36Å; L195-W197 PolarHBondContact O-N 2.71Å; L195-W197 VanDerWaalsContact O-N 3.16Å; L195-L232 HydrophobicContact CD1-CD1 3.77Å; L195-L232 HydrophobicContact CD1-CD2 3.78Å; L195-L232 HydrophobicContact CD1-CG 4.41Å; L195-L232 HydrophobicContact CD2-CD2 4.2Å; L195-A257 HydrophobicContact CD2-CB 4.32Å
196N67.8Low82.5Confident65 Ų6531.9 Ų31.935%0.34815%0.151SC..THydrogen-bonded Turntrans49.535.9-176.9-163.270000112.3E192E192-N196 WeakPolarHBondContact O-CA 3.27Å; E192-N196 PolarHBondContact O-N 3.35Å
197W64.3Low83.3Confident6 Ų630.3 Ų30.32%0.02315%0.145CC..  trans-110.42.2-162.668.4-3000116.1E192 L195 F246 L250 E254 A257 V261E192-W197 VanDerWaalsContact CA-CD1 3.47Å; E192-W197 PolarHBondContact O-N 3.14Å; L195-W197 HydrophobicContact CB-CB 4.01Å; L195-W197 HydrophobicContact CB-CD2 3.52Å; L195-W197 HydrophobicContact CB-CE3 4.01Å; L195-W197 HydrophobicContact CB-CG 3.51Å; L195-W197 HydrophobicContact CD1-CD2 3.61Å; L195-W197 VanDerWaalsContact CD1-CE2 3.44Å; L195-W197 HydrophobicContact CD1-CE3 3.65Å; L195-W197 HydrophobicContact CD1-CG 4.47Å; L195-W197 HydrophobicContact CD1-CH2 3.3Å; L195-W197 HydrophobicContact CD1-CZ2 3.3Å; L195-W197 HydrophobicContact CD1-CZ3 3.48Å; L195-W197 VanDerWaalsContact CD1-CZ3 3.48Å; L195-W197 HydrophobicContact CG-CD2 4.18Å; L195-W197 HydrophobicContact CG-CE3 4.36Å; L195-W197 PolarHBondContact O-N 2.71Å; L195-W197 VanDerWaalsContact O-N 3.16Å; W197-F246 AromaticContact CH2-CE1 3.92Å; W197-F246 HydrophobicContact CH2-CE1 3.92Å; W197-F246 HydrophobicContact CH2-CZ 4.43Å; W197-F246 AromaticContact CZ2-CE1 3.74Å; W197-F246 HydrophobicContact CZ2-CE1 3.74Å; W197-F246 AromaticContact CZ2-CZ 3.79Å; W197-F246 HydrophobicContact CZ2-CZ 3.79Å; W197-L250 HydrophobicContact CD2-CD2 3.32Å; W197-L250 HydrophobicContact CD2-CG 4.49Å; W197-L250 VanDerWaalsContact CE2-CD2 3.48Å; W197-L250 HydrophobicContact CE3-CD1 3.78Å; W197-L250 HydrophobicContact CE3-CD2 3.28Å; W197-L250 HydrophobicContact CE3-CG 4.01Å; W197-L250 HydrophobicContact CG-CD2 4.01Å; W197-L250 HydrophobicContact CH2-CD1 3.5Å; W197-L250 HydrophobicContact CH2-CD2 3.71Å; W197-L250 HydrophobicContact CH2-CG 4.22Å; W197-L250 HydrophobicContact CZ2-CD1 4.32Å; W197-L250 HydrophobicContact CZ2-CD2 3.69Å; W197-L250 HydrophobicContact CZ3-CD1 3.17Å; W197-L250 HydrophobicContact CZ3-CD2 3.51Å; W197-L250 HydrophobicContact CZ3-CG 3.89Å; W197-E254 WeakPolarHBondContact CA-OE1 3.41Å; W197-E254 WeakPolarHBondContact CA-OE2 3.45Å; W197-E254 HydrophobicContact CB-CG 4.28Å; W197-E254 WeakPolarHBondContact CB-OE2 3.42Å; W197-A257 HydrophobicContact CD2-CB 4.38Å; W197-A257 HydrophobicContact CE3-CB 3.35Å; W197-A257 HydrophobicContact CZ3-CB 3.83Å; W197-V261 HydrophobicContact CH2-CG2 3.74Å; W197-V261 HydrophobicContact CZ3-CG2 3.71Å
198M58Low83.5Confident41 Ų4127.1 Ų27.120%0.20213%0.133CC..SBendtrans-144151.2177.3-76.5-174.3152.500109.1E192 Y200 F246 K249 L250E192-M198 HydrophobicContact CB-CB 4.31Å; M198-Y200 WeakPolarHBondContact O-CD1 3.28Å; M198-Y200 PolarHBondContact O-N 3.47Å; M198-F246 HydrophobicContact CE-CE2 4.3Å; M198-K249 HydrophobicContact CE-CB 3.39Å; M198-K249 HydrophobicContact CE-CD 3.94Å; M198-K249 HydrophobicContact CE-CG 4.32Å; M198-L250 HydrophobicContact CE-CD2 4.34Å
199H65.3Low83.8Confident191 Ų19126.2 Ų26.288%0.88413%0.13SC*.  trans-60.1108155.8-69-66.4000107.1
200Y72Confident84.1Confident24 Ų2425.2 Ų25.29%0.09413%0.126CC..  trans-92.3143.9-176.852-93000110R149 A177 V193 M198 V204R149-Y200 VanDerWaalsContact CZ-OH 3.3Å; R149-Y200 PolarHBondContact NH1-OH 3.29Å; R149-Y200 VanDerWaalsContact NH2-CE2 3.32Å; A177-Y200 PolarHBondContact O-OH 2.89Å; V193-Y200 HydrophobicContact CG2-CG 4.41Å; M198-Y200 WeakPolarHBondContact O-CD1 3.28Å; M198-Y200 PolarHBondContact O-N 3.47Å; Y200-V204 HydrophobicContact CD2-CG1 4.15Å; Y200-V204 HydrophobicContact CG-CG1 4.25Å
201T83.8Confident84.5Confident58 Ų5825.2 Ų25.236%0.35613%0.126SC..  trans-105.3-172.3-177.2720000110.5T203 V204T201-T203 PolarHBondContact O-N 3.23Å; T201-T203 VanDerWaalsContact O-N 3.11Å; T201-T203 PolarHBondContact OG1-N 3.36Å; T201-T203 PolarHBondContact OG1-OG1 3.45Å; T201-T203 VanDerWaalsContact OG1-OG1 3.05Å; T201-V204 WeakPolarHBondContact O-CG1 3.15Å; T201-V204 WeakPolarHBondContact O-CG2 3.38Å; T201-V204 PolarHBondContact O-N 2.76Å
202Q90.6Very high84.9Confident66 Ų6625.2 Ų25.231%0.30813%0.126SC..THydrogen-bonded Turntrans-59.5-16.7174.569.7-167.97.800114.2H142 I147 V204 D205H142-Q202 HydrophobicContact CB-CB 4.48Å; H142-Q202 PolarHBondContact CE1-O 2.84Å; I147-Q202 HydrophobicContact CG1-CB 4.32Å; Q202-V204 PolarHBondContact O-N 2.91Å; Q202-D205 PolarHBondContact O-N 2.54Å
203T94.6Very high85.6Confident8 Ų825 Ų255%0.04913%0.125CC..Hα-helixtrans-71.4-6.6-179.8650000113.9T201 D205 I206 W207 G295 R298T201-T203 PolarHBondContact O-N 3.23Å; T201-T203 VanDerWaalsContact O-N 3.11Å; T201-T203 PolarHBondContact OG1-N 3.36Å; T201-T203 PolarHBondContact OG1-OG1 3.45Å; T201-T203 VanDerWaalsContact OG1-OG1 3.05Å; T203-D205 VanDerWaalsContact C-N 3.25Å; T203-D205 PolarHBondContact O-N 3.07Å; T203-I206 WeakPolarHBondContact O-CB 3.47Å; T203-I206 PolarHBondContact O-N 3.39Å; T203-W207 PolarHBondContact O-N 3.34Å; T203-G295 WeakPolarHBondContact CB-O 3.4Å; T203-G295 PolarHBondContact OG1-O 2.84Å; T203-R298 HydrophobicContact CG2-CB 4.26Å; T203-R298 PolarHBondContact O-NH1 3.22Å
204V93.8Very high86.4Confident2 Ų224.4 Ų24.41%0.01212%0.122CC..Hα-helixtrans-61.9-35.4168.7-60.90000112.1I147 A190 E192 V193 Y200 T201 Q202 I206 W207 S208I147-V204 HydrophobicContact CG2-CG2 3.6Å; A190-V204 HydrophobicContact CB-CB 4.07Å; A190-V204 HydrophobicContact CB-CG1 4.15Å; E192-V204 HydrophobicContact CG-CG1 4.28Å; E192-V204 WeakPolarHBondContact OE1-CG1 3.21Å; V193-V204 HydrophobicContact CG2-CB 3.93Å; V193-V204 HydrophobicContact CG2-CG1 3.49Å; V193-V204 VanDerWaalsContact CG2-CG1 3.49Å; Y200-V204 HydrophobicContact CD2-CG1 4.15Å; Y200-V204 HydrophobicContact CG-CG1 4.25Å; T201-V204 WeakPolarHBondContact O-CG1 3.15Å; T201-V204 WeakPolarHBondContact O-CG2 3.38Å; T201-V204 PolarHBondContact O-N 2.76Å; Q202-V204 PolarHBondContact O-N 2.91Å; V204-I206 VanDerWaalsContact C-N 3.27Å; V204-I206 PolarHBondContact O-N 3.39Å; V204-W207 WeakPolarHBondContact O-CB 3.39Å; V204-W207 PolarHBondContact O-N 3.49Å; V204-S208 PolarHBondContact O-N 3.11Å; V204-S208 PolarHBondContact O-OG 3Å
205D95.7Very high87.4Confident0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-71.8-28.4178.7-66.4-31.8000110.7L138 H142 I147 H148 R149 Q202 T203 S208 V209L138-D205 HydrophobicContact CD1-CB 4Å; L138-D205 HydrophobicContact CD2-CB 3.88Å; H142-D205 IonicContact CD2-OD2 3.23Å; H142-D205 IonicContact CE1-OD2 3.02Å; H142-D205 IonicContact NE2-OD2 2.73Å; H142-D205 PolarHBondContact NE2-OD2 3.4Å; I147-D205 WeakPolarHBondContact CG2-OD2 3.39Å; H148-D205 WeakPolarHBondContact CB-OD2 3.39Å; H148-D205 PolarHBondContact N-OD2 3.22Å; R149-D205 PolarHBondContact N-OD1 3.27Å; Q202-D205 PolarHBondContact O-N 2.54Å; T203-D205 VanDerWaalsContact C-N 3.25Å; T203-D205 PolarHBondContact O-N 3.07Å; D205-S208 WeakPolarHBondContact O-CB 3.46Å; D205-S208 PolarHBondContact O-N 3.15Å; D205-V209 WeakPolarHBondContact O-CG2 3.43Å; D205-V209 PolarHBondContact O-N 3.3Å
206I98.3Very high88.6Confident0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-69.3-38.5177.5-56.6-62.2000111.2L135 T203 V204 S208 V209 G210 M290 P299 A301L135-I206 HydrophobicContact CD2-CD1 3.83Å; T203-I206 WeakPolarHBondContact O-CB 3.47Å; T203-I206 PolarHBondContact O-N 3.39Å; V204-I206 VanDerWaalsContact C-N 3.27Å; V204-I206 PolarHBondContact O-N 3.39Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 3.36Å; I206-V209 PolarHBondContact O-N 3.27Å; I206-G210 PolarHBondContact O-N 3.09Å; I206-M290 HydrophobicContact CG2-CB 4.12Å; I206-M290 HydrophobicContact CG2-CG 3.75Å; I206-M290 HydrophobicContact CG2-SD 4.48Å; I206-P299 WeakPolarHBondContact CG1-O 3.38Å; I206-P299 HydrophobicContact CG2-CG 4.37Å; I206-A301 HydrophobicContact CD1-CB 3.99Å
207W97.4Very high90Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-58.2-44.9169.3176.8-83.2000111.5R189 A190 P191 T203 V204 V209 G210 C211 F223 I235 L291 V292 L293R189-W207 PolarHBondContact O-NE1 2.95Å; R189-W207 VanDerWaalsContact O-NE1 3.15Å; A190-W207 HydrophobicContact CB-CB 3.79Å; A190-W207 HydrophobicContact CB-CD2 4.47Å; A190-W207 HydrophobicContact CB-CG 3.8Å; P191-W207 HydrophobicContact CG-CH2 4.32Å; P191-W207 HydrophobicContact CG-CZ3 4.36Å; T203-W207 PolarHBondContact O-N 3.34Å; V204-W207 WeakPolarHBondContact O-CB 3.39Å; V204-W207 PolarHBondContact O-N 3.49Å; W207-V209 VanDerWaalsContact C-N 3.33Å; W207-V209 PolarHBondContact O-N 2.66Å; W207-G210 PolarHBondContact O-N 3.02Å; W207-C211 PolarHBondContact NE1-SG 3.14Å; W207-C211 PolarHBondContact O-N 3.01Å; W207-C211 PolarHBondContact O-SG 3.32Å; W207-F223 HydrophobicContact CH2-CE2 4.24Å; W207-F223 HydrophobicContact CH2-CZ 4.43Å; W207-F223 HydrophobicContact CZ2-CD2 4.17Å; W207-F223 AromaticContact CZ2-CE2 3.53Å; W207-F223 HydrophobicContact CZ2-CE2 3.53Å; W207-F223 HydrophobicContact CZ2-CZ 4.11Å; W207-I235 HydrophobicContact CH2-CG2 3.64Å; W207-I235 HydrophobicContact CZ2-CD1 3.93Å; W207-I235 HydrophobicContact CZ2-CG1 3.98Å; W207-I235 HydrophobicContact CZ2-CG2 3.83Å; W207-L291 HydrophobicContact CD2-CD2 4.09Å; W207-L291 HydrophobicContact CE3-CD2 4.09Å; W207-L291 HydrophobicContact CH2-CD2 4.39Å; W207-L291 HydrophobicContact CZ2-CD2 4.38Å; W207-L291 HydrophobicContact CZ3-CB 4.43Å; W207-L291 HydrophobicContact CZ3-CD2 4.25Å; W207-V292 WeakPolarHBondContact CZ3-O 3.32Å; W207-L293 HydrophobicContact CH2-CD2 4.21Å; W207-L293 HydrophobicContact CZ3-CD2 4.43Å
208S97.2Very high91.4Very high3 Ų324 Ų242%0.02112%0.118CC..Hα-helixtrans-61-42.5177.1-56.90000111.7Y188 V204 D205 I206 G210 C211 I212Y188-S208 WeakPolarHBondContact O-CA 3.36Å; Y188-S208 WeakPolarHBondContact O-CB 3.5Å; Y188-S208 PolarHBondContact O-OG 3.15Å; V204-S208 PolarHBondContact O-N 3.11Å; V204-S208 PolarHBondContact O-OG 3Å; D205-S208 WeakPolarHBondContact O-CB 3.46Å; D205-S208 PolarHBondContact O-N 3.15Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 3.36Å; S208-G210 PolarHBondContact O-N 3.41Å; S208-C211 WeakPolarHBondContact O-CB 3.44Å; S208-C211 PolarHBondContact O-N 3.32Å; S208-I212 WeakPolarHBondContact O-CD1 3.31Å; S208-I212 WeakPolarHBondContact O-CG1 3.5Å; S208-I212 PolarHBondContact O-N 3.37Å
209V98.4Very high93Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-59.4-45.5173.6175.20000111.1V131 M134 L135 L138 L151 D205 I206 W207 C211 I212 M213 M290V131-V209 HydrophobicContact CG1-CG1 3.79Å; M134-V209 HydrophobicContact CB-CG2 4.49Å; L135-V209 HydrophobicContact CD2-CG1 4.22Å; L135-V209 HydrophobicContact CD2-CG2 4.42Å; L138-V209 HydrophobicContact CD1-CG2 3.46Å; L138-V209 VanDerWaalsContact CD1-CG2 3.46Å; L151-V209 HydrophobicContact CD2-CG2 3.62Å; D205-V209 WeakPolarHBondContact O-CG2 3.43Å; D205-V209 PolarHBondContact O-N 3.3Å; I206-V209 PolarHBondContact O-N 3.27Å; W207-V209 VanDerWaalsContact C-N 3.33Å; W207-V209 PolarHBondContact O-N 2.66Å; V209-C211 VanDerWaalsContact C-N 3.33Å; V209-C211 PolarHBondContact O-N 3.42Å; V209-I212 PolarHBondContact O-N 3.31Å; V209-I212 VanDerWaalsContact O-N 3.15Å; V209-M213 WeakPolarHBondContact O-CB 3.37Å; V209-M213 PolarHBondContact O-N 3.21Å; V209-M290 HydrophobicContact CB-SD 4.28Å; V209-M290 HydrophobicContact CG1-CE 3.98Å; V209-M290 HydrophobicContact CG1-SD 3.83Å
210G98.4Very high94.3Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-58.4-43176.100000112.8I206 W207 S208 I212 M213 A214 L287I206-G210 PolarHBondContact O-N 3.09Å; W207-G210 PolarHBondContact O-N 3.02Å; S208-G210 PolarHBondContact O-N 3.41Å; G210-I212 PolarHBondContact O-N 3.46Å; G210-M213 PolarHBondContact O-N 2.96Å; G210-A214 WeakPolarHBondContact O-CB 3.45Å; G210-A214 PolarHBondContact O-N 3.06Å; G210-L287 VanDerWaalsContact O-CD2 3.31Å; G210-L287 WeakPolarHBondContact O-CD2 3.28Å
211C98.2Very high95.4Very high1 Ų122.8 Ų22.81%0.00712%0.122CC..Hα-helixtrans-62-42.3175.1-65.20000112.2Y188 W207 S208 V209 E215Y188-C211 HydrophobicContact CD1-CB 3.79Å; W207-C211 PolarHBondContact NE1-SG 3.14Å; W207-C211 PolarHBondContact O-N 3.01Å; W207-C211 PolarHBondContact O-SG 3.32Å; S208-C211 WeakPolarHBondContact O-CB 3.44Å; S208-C211 PolarHBondContact O-N 3.32Å; V209-C211 VanDerWaalsContact C-N 3.33Å; V209-C211 PolarHBondContact O-N 3.42Å; C211-E215 WeakPolarHBondContact O-CB 3.49Å; C211-E215 PolarHBondContact O-N 3.03Å
212I97.9Very high95.9Very high2 Ų221.7 Ų21.71%0.0111%0.114CC..Hα-helixtrans-70.6-42.7-179.3-65.6164.4000110.5M134 L151 P153 L156 Y188 S208 V209 G210 E215 M216M134-I212 HydrophobicContact CE-CG2 3.98Å; M134-I212 HydrophobicContact SD-CG2 4.15Å; L151-I212 HydrophobicContact CD2-CD1 4.18Å; L151-I212 HydrophobicContact CG-CD1 4.06Å; P153-I212 HydrophobicContact CG-CG1 4.19Å; L156-I212 HydrophobicContact CD1-CD1 3.74Å; L156-I212 HydrophobicContact CD1-CG2 4.08Å; Y188-I212 HydrophobicContact CD1-CG1 3.68Å; Y188-I212 HydrophobicContact CE1-CG1 4Å; S208-I212 WeakPolarHBondContact O-CD1 3.31Å; S208-I212 WeakPolarHBondContact O-CG1 3.5Å; S208-I212 PolarHBondContact O-N 3.37Å; V209-I212 PolarHBondContact O-N 3.31Å; V209-I212 VanDerWaalsContact O-N 3.15Å; G210-I212 PolarHBondContact O-N 3.46Å; I212-E215 PolarHBondContact O-N 3.48Å; I212-M216 HydrophobicContact CG2-CE 4.21Å; I212-M216 HydrophobicContact CG2-CG 4.46Å; I212-M216 HydrophobicContact CG2-SD 4.46Å; I212-M216 WeakPolarHBondContact O-CG 3.21Å; I212-M216 PolarHBondContact O-N 2.96Å
213M98.2Very high96.2Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-58.6-48.8174.6179175.3176.500111V127 V131 V209 G210 E215 M216 I217 G283 L286 L287 Y309V127-M213 HydrophobicContact CG1-CE 4.41Å; V127-M213 HydrophobicContact CG1-CG 3.89Å; V131-M213 HydrophobicContact CG1-SD 4.36Å; V131-M213 HydrophobicContact CG2-CB 3.84Å; V131-M213 HydrophobicContact CG2-CG 3.89Å; V131-M213 HydrophobicContact CG2-SD 4.18Å; V209-M213 WeakPolarHBondContact O-CB 3.37Å; V209-M213 PolarHBondContact O-N 3.21Å; G210-M213 PolarHBondContact O-N 2.96Å; M213-E215 VanDerWaalsContact C-N 3.29Å; M213-E215 PolarHBondContact O-N 3.21Å; M213-M216 PolarHBondContact O-N 3.42Å; M213-I217 HydrophobicContact CE-CD1 4.14Å; M213-I217 HydrophobicContact CG-CD1 3.93Å; M213-I217 WeakPolarHBondContact O-CD1 3.17Å; M213-I217 WeakPolarHBondContact O-CG1 3.23Å; M213-I217 PolarHBondContact O-N 3Å; M213-G283 WeakPolarHBondContact CE-O 3.22Å; M213-L286 HydrophobicContact CE-CD2 4.25Å; M213-L286 HydrophobicContact SD-CD2 4.06Å; M213-L286 HydrophobicContact SD-CG 4.48Å; M213-L287 HydrophobicContact CB-CD2 3.92Å; M213-L287 HydrophobicContact CE-CG 4.08Å; M213-L287 HydrophobicContact CG-CD2 3.82Å; M213-L287 HydrophobicContact CG-CG 4.2Å; M213-L287 HydrophobicContact SD-CD2 3.91Å; M213-L287 HydrophobicContact SD-CG 3.93Å; M213-Y309 HydrophobicContact CE-CD1 4.23Å; M213-Y309 HydrophobicContact CE-CE1 3.59Å
214A97.6Very high96.1Very high1 Ų124.7 Ų24.71%0.00813%0.125CC..Hα-helixtrans-58.9-40.217600000112.5G210 N218 L222 F276 L287G210-A214 WeakPolarHBondContact O-CB 3.45Å; G210-A214 PolarHBondContact O-N 3.06Å; A214-N218 PolarHBondContact O-N 3.42Å; A214-L222 HydrophobicContact CB-CB 4.21Å; A214-L222 HydrophobicContact CB-CD1 4.43Å; A214-L222 HydrophobicContact CB-CD2 3.73Å; A214-L222 HydrophobicContact CB-CG 4.35Å; A214-F276 HydrophobicContact CB-CE1 3.6Å; A214-F276 HydrophobicContact CB-CZ 3.65Å; A214-L287 HydrophobicContact CB-CD2 4.07Å
215E96.8Very high95.9Very high40 Ų4025.1 Ų25.119%0.18713%0.13CC..Hα-helixtrans-68.1-41.5176.5176.9162.3-177.400112.7Y188 C211 I212 M213 I217 N218 G219 K220 T221Y188-E215 WeakPolarHBondContact CE1-OE2 3.39Å; Y188-E215 VanDerWaalsContact CZ-OE2 3.22Å; Y188-E215 PolarHBondContact OH-OE1 3.05Å; Y188-E215 PolarHBondContact OH-OE2 3.05Å; C211-E215 WeakPolarHBondContact O-CB 3.49Å; C211-E215 PolarHBondContact O-N 3.03Å; I212-E215 PolarHBondContact O-N 3.48Å; M213-E215 VanDerWaalsContact C-N 3.29Å; M213-E215 PolarHBondContact O-N 3.21Å; E215-I217 VanDerWaalsContact C-N 3.31Å; E215-I217 PolarHBondContact O-N 2.8Å; E215-N218 PolarHBondContact O-N 2.93Å; E215-G219 WeakPolarHBondContact O-CA 3.29Å; E215-G219 PolarHBondContact O-N 3.13Å; E215-K220 WeakPolarHBondContact CA-O 3.36Å; E215-K220 PolarHBondContact O-N 3.07Å; E215-T221 PolarHBondContact OE1-OG1 3.26Å; E215-T221 WeakPolarHBondContact OE2-CA 3.45Å; E215-T221 PolarHBondContact OE2-OG1 3.28Å
216M96.9Very high95.4Very high15 Ų1534.2 Ų34.27%0.07417%0.169CC..Hα-helixtrans-64.6-37.7176.2-69.9-171.6-62.800111.9L115 L122 V127 L130 V131 M134 I212 M213L115-M216 HydrophobicContact CD1-SD 4.05Å; L122-M216 HydrophobicContact CD1-CB 4.21Å; L122-M216 HydrophobicContact CD1-CG 4.12Å; L122-M216 HydrophobicContact CD1-SD 3.96Å; L122-M216 PolarHBondContact N-O 3.37Å; V127-M216 HydrophobicContact CG1-CE 4.27Å; V127-M216 HydrophobicContact CG2-CB 3.94Å; L130-M216 HydrophobicContact CB-CE 4.34Å; L130-M216 HydrophobicContact CB-SD 4.27Å; L130-M216 HydrophobicContact CD1-SD 3.88Å; V131-M216 HydrophobicContact CG2-CE 3.57Å; M134-M216 HydrophobicContact CE-CE 3.69Å; M134-M216 HydrophobicContact CE-SD 4.1Å; I212-M216 HydrophobicContact CG2-CE 4.21Å; I212-M216 HydrophobicContact CG2-CG 4.46Å; I212-M216 HydrophobicContact CG2-SD 4.46Å; I212-M216 WeakPolarHBondContact O-CG 3.21Å; I212-M216 PolarHBondContact O-N 2.96Å; M213-M216 PolarHBondContact O-N 3.42Å
217I96.2Very high94.7Very high10 Ų1038 Ų385%0.05119%0.19CC..Hα-helixtrans-63.1-59.1174.2-68160.5000108.6Q121 V127 M213 E215 F276 R278 A279 L287Q121-I217 WeakPolarHBondContact CG-O 3.37Å; V127-I217 HydrophobicContact CG1-CD1 4.34Å; V127-I217 HydrophobicContact CG1-CG1 4Å; V127-I217 HydrophobicContact CG2-CG1 4.14Å; M213-I217 HydrophobicContact CE-CD1 4.14Å; M213-I217 HydrophobicContact CG-CD1 3.93Å; M213-I217 WeakPolarHBondContact O-CD1 3.17Å; M213-I217 WeakPolarHBondContact O-CG1 3.23Å; M213-I217 PolarHBondContact O-N 3Å; E215-I217 VanDerWaalsContact C-N 3.31Å; E215-I217 PolarHBondContact O-N 2.8Å; I217-F276 HydrophobicContact CG2-CB 4.35Å; I217-F276 HydrophobicContact CG2-CD1 4.11Å; I217-R278 PolarHBondContact O-NH2 3.07Å; I217-A279 HydrophobicContact CD1-CB 4.15Å; I217-A279 HydrophobicContact CG2-CB 4.45Å; I217-L287 HydrophobicContact CD1-CD1 3.78Å
218N93.1Very high93.8Very high41 Ų4142.1 Ų42.122%0.21921%0.206CC..Hα-helixtrans-86-10.8-169.9-81.3-15.3000115.9Q121 A214 E215 K220 L275 F276Q121-N218 VanDerWaalsContact CG-C 3.49Å; Q121-N218 WeakPolarHBondContact CG-O 3.33Å; Q121-N218 PolarHBondContact NE2-O 3.39Å; A214-N218 PolarHBondContact O-N 3.42Å; E215-N218 PolarHBondContact O-N 2.93Å; N218-K220 PolarHBondContact O-N 3.37Å; N218-L275 PolarHBondContact ND2-O 3.29Å; N218-F276 WeakPolarHBondContact ND2-CD1 3.44Å; N218-F276 VanDerWaalsContact ND2-CE1 3.25Å; N218-F276 WeakPolarHBondContact ND2-CE1 3.46Å
219G92.7Very high93Very high32 Ų3246.5 Ų46.533%0.3323%0.227SC..THydrogen-bonded Turntrans68.316.9-175.100000113.3G120 E215G120-G219 WeakPolarHBondContact O-CA 3.38Å; E215-G219 WeakPolarHBondContact O-CA 3.29Å; E215-G219 PolarHBondContact O-N 3.13Å
220K92.3Very high92.5Very high164 Ų16448.4 Ų48.471%0.71324%0.237SC*.SBendtrans-144137.1-176.8-64.8-179-176.6174.30109.9E215 N218 L222E215-K220 WeakPolarHBondContact CA-O 3.36Å; E215-K220 PolarHBondContact O-N 3.07Å; N218-K220 PolarHBondContact O-N 3.37Å; K220-L222 PolarHBondContact O-N 2.79Å
221T94.6Very high92Very high35 Ų3548.4 Ų48.422%0.21524%0.237CC..  trans-53.1128.7173.7-48.80000111.5W187 E215W187-T221 HydrophobicContact CB-CG2 3.81Å; W187-T221 HydrophobicContact CD2-CG2 4.04Å; W187-T221 HydrophobicContact CE3-CG2 3.67Å; W187-T221 HydrophobicContact CG-CG2 4.13Å; E215-T221 PolarHBondContact OE1-OG1 3.26Å; E215-T221 WeakPolarHBondContact OE2-CA 3.45Å; E215-T221 PolarHBondContact OE2-OG1 3.28Å
222L95.9Very high91.5Very high36 Ų3648.4 Ų48.419%0.18824%0.237CC..SBendtrans-68-48.6-176.2-177.461.3000112.6A214 K220 F276 L291A214-L222 HydrophobicContact CB-CB 4.21Å; A214-L222 HydrophobicContact CB-CD1 4.43Å; A214-L222 HydrophobicContact CB-CD2 3.73Å; A214-L222 HydrophobicContact CB-CG 4.35Å; K220-L222 PolarHBondContact O-N 2.79Å; L222-F276 HydrophobicContact CD1-CZ 4.05Å; L222-L291 HydrophobicContact CD2-CD1 3.55Å
223F95.4Very high91Very high1 Ų149.5 Ų49.50%0.00425%0.245CC..  trans-121.397.6-176.9-53.5-58.6000111.2W187 W207 Q231 Q234 I235 V238 L291W187-F223 WeakPolarHBondContact CA-O 3.27Å; W187-F223 WeakPolarHBondContact CB-O 3.02Å; W207-F223 HydrophobicContact CH2-CE2 4.24Å; W207-F223 HydrophobicContact CH2-CZ 4.43Å; W207-F223 HydrophobicContact CZ2-CD2 4.17Å; W207-F223 AromaticContact CZ2-CE2 3.53Å; W207-F223 HydrophobicContact CZ2-CE2 3.53Å; W207-F223 HydrophobicContact CZ2-CZ 4.11Å; F223-Q231 PolarHBondContact O-NE2 2.87Å; F223-Q231 PolarHBondContact O-OE1 3.38Å; F223-Q234 HydrophobicContact CB-CB 4.48Å; F223-Q234 HydrophobicContact CD1-CB 4.38Å; F223-I235 HydrophobicContact CB-CG1 4.32Å; F223-I235 HydrophobicContact CD1-CB 4.49Å; F223-I235 HydrophobicContact CD1-CG1 3.95Å; F223-I235 HydrophobicContact CD2-CG1 4.03Å; F223-I235 HydrophobicContact CE1-CB 4.44Å; F223-I235 HydrophobicContact CE1-CG1 4.22Å; F223-I235 HydrophobicContact CE2-CG1 4.3Å; F223-I235 HydrophobicContact CG-CG1 3.84Å; F223-I235 HydrophobicContact CZ-CG1 4.39Å; F223-V238 HydrophobicContact CD1-CG2 4.49Å; F223-V238 HydrophobicContact CE1-CB 3.79Å; F223-V238 HydrophobicContact CE1-CG1 4.3Å; F223-V238 HydrophobicContact CE1-CG2 3.76Å; F223-V238 HydrophobicContact CZ-CB 4.36Å; F223-V238 HydrophobicContact CZ-CG1 4.48Å; F223-L291 HydrophobicContact CE2-CD2 4.26Å
224K92.9Very high90.7Very high136 Ų13652 Ų5259%0.59126%0.257SS*.  trans-107.176.5-178.1-166.7177.7-177.7173.80111.8W187W187-K224 HydrophobicContact CD2-CG 4.26Å; W187-K224 HydrophobicContact CH2-CD 4.3Å; W187-K224 HydrophobicContact CH2-CG 4.16Å; W187-K224 HydrophobicContact CZ2-CD 4.24Å; W187-K224 HydrophobicContact CZ2-CG 3.67Å
225G89.4Confident90.5Very high10 Ų1052 Ų5210%0.10326%0.257CS..  trans-82.3145.4173.700000113.2W187 D230 Q231W187-G225 PolarHBondContact NE1-O 2.94Å; W187-G225 VanDerWaalsContact NE1-O 3.07Å; G225-D230 WeakPolarHBondContact CA-OD2 3.47Å; G225-Q231 VanDerWaalsContact CA-OE1 3.27Å
226K85.7Confident90.1Very high191 Ų19150.2 Ų50.283%0.8325%0.248SC*.SBendtrans-80.1-32.7173.5-63.9176.3-174.7176.80112.9D230K226-D230 PolarHBondContact N-OD2 3.39Å
227D82.8Confident89.8Confident81 Ų8153 Ų5343%0.43326%0.26SS..SBendtrans-145.4-177.5179.358.755.3000110.3M229 D230 Q231D227-M229 VanDerWaalsContact C-N 3.3Å; D227-M229 PolarHBondContact O-N 2.65Å; D227-M229 WeakPolarHBondContact OD1-CA 3.39Å; D227-M229 WeakPolarHBondContact OD1-CB 3.45Å; D227-M229 PolarHBondContact OD1-N 3.3Å; D227-D230 PolarHBondContact OD1-N 3.17Å; D227-Q231 VanDerWaalsContact O-CB 3.22Å; D227-Q231 WeakPolarHBondContact O-CB 3.23Å; D227-Q231 PolarHBondContact O-N 2.81Å
228Y78.6Confident89.7Confident86 Ų8653.1 Ų53.134%0.33726%0.261SS..Hα-helixtrans-59.3-39.1-178.6-69.1-79.9000112.9R186 I194 L232R186-Y228 PolarHBondContact NE-OH 3.11Å; R186-Y228 PolarHBondContact NH2-OH 3.37Å; I194-Y228 HydrophobicContact CG2-CD1 3.78Å; Y228-L232 PolarHBondContact O-N 3Å
229M81.4Confident89.6Confident95 Ų9551.6 Ų51.647%0.46825%0.254SS..Hα-helixtrans-75-47.3-177-66.3-57.6-156.500110.7D227 Q231 L232 S233 Y260D227-M229 VanDerWaalsContact C-N 3.3Å; D227-M229 PolarHBondContact O-N 2.65Å; D227-M229 WeakPolarHBondContact OD1-CA 3.39Å; D227-M229 WeakPolarHBondContact OD1-CB 3.45Å; D227-M229 PolarHBondContact OD1-N 3.3Å; M229-Q231 VanDerWaalsContact C-N 3.3Å; M229-Q231 PolarHBondContact O-N 3.29Å; M229-L232 PolarHBondContact O-N 3.03Å; M229-S233 PolarHBondContact O-N 3.34Å; M229-Y260 HydrophobicContact CB-CE2 4.31Å; M229-Y260 HydrophobicContact CE-CD2 3.86Å; M229-Y260 HydrophobicContact CE-CE2 4.16Å; M229-Y260 HydrophobicContact CE-CG 4.06Å; M229-Y260 HydrophobicContact CG-CE2 4.28Å; M229-Y260 PolarHBondContact O-OH 2.68Å; M229-Y260 HydrophobicContact SD-CD1 3.73Å; M229-Y260 HydrophobicContact SD-CD2 3.7Å; M229-Y260 HydrophobicContact SD-CE1 3.55Å; M229-Y260 VanDerWaalsContact SD-CE1 3.55Å; M229-Y260 HydrophobicContact SD-CE2 3.53Å; M229-Y260 VanDerWaalsContact SD-CE2 3.53Å; M229-Y260 HydrophobicContact SD-CG 3.8Å
230D86.8Confident89.4Confident39 Ų3950.3 Ų50.321%0.20924%0.24CC..Hα-helixtrans-61-41.4175.4-176.633.5000110.9G225 K226 D227 L232 S233 Q234G225-D230 WeakPolarHBondContact CA-OD2 3.47Å; K226-D230 PolarHBondContact N-OD2 3.39Å; D227-D230 PolarHBondContact OD1-N 3.17Å; D230-L232 VanDerWaalsContact C-N 3.35Å; D230-L232 PolarHBondContact O-N 3.47Å; D230-S233 WeakPolarHBondContact O-CB 3.37Å; D230-S233 PolarHBondContact O-N 3.08Å; D230-S233 VanDerWaalsContact O-N 3.12Å; D230-Q234 WeakPolarHBondContact O-CG 3.48Å; D230-Q234 PolarHBondContact O-N 3.48Å; D230-Q234 PolarHBondContact OD1-NE2 3.49Å
231Q89.4Confident88.8Confident1 Ų144.2 Ų44.21%0.00522%0.217CC..Hα-helixtrans-56.6-47.1175.4-17666.521.900111.8W187 I194 F223 G225 D227 M229 S233 Q234 I235W187-Q231 PolarHBondContact O-NE2 3.08Å; I194-Q231 HydrophobicContact CD1-CG 3.54Å; F223-Q231 PolarHBondContact O-NE2 2.87Å; F223-Q231 PolarHBondContact O-OE1 3.38Å; G225-Q231 VanDerWaalsContact CA-OE1 3.27Å; D227-Q231 VanDerWaalsContact O-CB 3.22Å; D227-Q231 WeakPolarHBondContact O-CB 3.23Å; D227-Q231 PolarHBondContact O-N 2.81Å; M229-Q231 VanDerWaalsContact C-N 3.3Å; M229-Q231 PolarHBondContact O-N 3.29Å; Q231-S233 VanDerWaalsContact C-N 3.34Å; Q231-S233 PolarHBondContact O-N 2.81Å; Q231-Q234 PolarHBondContact O-N 2.83Å; Q231-I235 HydrophobicContact CG-CD1 4.34Å; Q231-I235 WeakPolarHBondContact O-CG1 3.32Å; Q231-I235 PolarHBondContact O-N 3.41Å; Q231-I235 VanDerWaalsContact O-N 3.08Å
232L86.4Confident88Confident0 Ų043.2 Ų43.20%021%0.211CC..Hα-helixtrans-64.3-40.7176.9-166.668.9000111.5P191 L195 Y228 M229 D230 Q234 I235 M236 Y260 V261 L264P191-L232 HydrophobicContact CB-CD1 4.12Å; L195-L232 HydrophobicContact CD1-CD1 3.77Å; L195-L232 HydrophobicContact CD1-CD2 3.78Å; L195-L232 HydrophobicContact CD1-CG 4.41Å; L195-L232 HydrophobicContact CD2-CD2 4.2Å; Y228-L232 PolarHBondContact O-N 3Å; M229-L232 PolarHBondContact O-N 3.03Å; D230-L232 VanDerWaalsContact C-N 3.35Å; D230-L232 PolarHBondContact O-N 3.47Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 3.18Å; L232-I235 WeakPolarHBondContact O-CB 3.18Å; L232-I235 PolarHBondContact O-N 2.87Å; L232-M236 HydrophobicContact CD1-CE 3.76Å; L232-M236 HydrophobicContact CD2-CE 4.33Å; L232-M236 HydrophobicContact CG-CE 4.01Å; L232-M236 HydrophobicContact CG-CG 4.39Å; L232-M236 VanDerWaalsContact O-CG 3.28Å; L232-M236 WeakPolarHBondContact O-CG 3.02Å; L232-M236 PolarHBondContact O-N 3.16Å; L232-Y260 HydrophobicContact CB-CE1 4.12Å; L232-Y260 HydrophobicContact CD2-CD1 3.54Å; L232-Y260 HydrophobicContact CD2-CE1 3.47Å; L232-Y260 VanDerWaalsContact CD2-CE1 3.47Å; L232-Y260 HydrophobicContact CG-CE1 4.27Å; L232-V261 HydrophobicContact CD2-CG2 4.24Å; L232-L264 HydrophobicContact CD2-CD1 4.27Å
233S87.6Confident87.1Confident26 Ų2643.9 Ų43.918%0.18223%0.226CC..Hα-helixtrans-58.4-43.1174.7-174.90000112.2M229 D230 Q231 I235 M236 K237M229-S233 PolarHBondContact O-N 3.34Å; D230-S233 WeakPolarHBondContact O-CB 3.37Å; D230-S233 PolarHBondContact O-N 3.08Å; D230-S233 VanDerWaalsContact O-N 3.12Å; Q231-S233 VanDerWaalsContact C-N 3.34Å; Q231-S233 PolarHBondContact O-N 2.81Å; S233-I235 VanDerWaalsContact C-N 3.33Å; S233-I235 PolarHBondContact O-N 2.94Å; S233-M236 PolarHBondContact O-N 2.77Å; S233-K237 VanDerWaalsContact O-CG 3.29Å; S233-K237 WeakPolarHBondContact O-CG 3.29Å; S233-K237 PolarHBondContact O-N 3.43Å; S233-K237 VanDerWaalsContact O-N 3.09Å
234Q92Very high86.2Confident53 Ų5349 Ų4925%0.24825%0.25CC..Hα-helixtrans-62.7-40.2176-60.8-51.1-43.700112F223 D230 Q231 L232 K237F223-Q234 HydrophobicContact CB-CB 4.48Å; F223-Q234 HydrophobicContact CD1-CB 4.38Å; D230-Q234 WeakPolarHBondContact O-CG 3.48Å; D230-Q234 PolarHBondContact O-N 3.48Å; D230-Q234 PolarHBondContact OD1-NE2 3.49Å; Q231-Q234 PolarHBondContact O-N 2.83Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 3.18Å; Q234-K237 PolarHBondContact O-N 3.28Å
235I93Very high85.4Confident0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-61.5-50.6176.5-68.9170.7000110.7P191 I194 W207 F223 Q231 L232 S233 K237 V238 C239 L293P191-I235 HydrophobicContact CB-CD1 4.34Å; I194-I235 HydrophobicContact CD1-CD1 3.96Å; W207-I235 HydrophobicContact CH2-CG2 3.64Å; W207-I235 HydrophobicContact CZ2-CD1 3.93Å; W207-I235 HydrophobicContact CZ2-CG1 3.98Å; W207-I235 HydrophobicContact CZ2-CG2 3.83Å; F223-I235 HydrophobicContact CB-CG1 4.32Å; F223-I235 HydrophobicContact CD1-CB 4.49Å; F223-I235 HydrophobicContact CD1-CG1 3.95Å; F223-I235 HydrophobicContact CD2-CG1 4.03Å; F223-I235 HydrophobicContact CE1-CB 4.44Å; F223-I235 HydrophobicContact CE1-CG1 4.22Å; F223-I235 HydrophobicContact CE2-CG1 4.3Å; F223-I235 HydrophobicContact CG-CG1 3.84Å; F223-I235 HydrophobicContact CZ-CG1 4.39Å; Q231-I235 HydrophobicContact CG-CD1 4.34Å; Q231-I235 WeakPolarHBondContact O-CG1 3.32Å; Q231-I235 PolarHBondContact O-N 3.41Å; Q231-I235 VanDerWaalsContact O-N 3.08Å; L232-I235 WeakPolarHBondContact O-CB 3.18Å; L232-I235 PolarHBondContact O-N 2.87Å; S233-I235 VanDerWaalsContact C-N 3.33Å; S233-I235 PolarHBondContact O-N 2.94Å; I235-K237 VanDerWaalsContact C-N 3.28Å; I235-K237 PolarHBondContact O-N 3.12Å; I235-V238 PolarHBondContact O-N 3.05Å; I235-C239 PolarHBondContact O-N 2.87Å; I235-L293 HydrophobicContact CG2-CD2 3.65Å
236M90Very high84.7Confident3 Ų350.2 Ų50.22%0.01526%0.255CS..Hα-helixtrans-65.4-29.4-177.2-63.2-62.5173.400112.9L232 S233 V238 G240 P242 L264 L293L232-M236 HydrophobicContact CD1-CE 3.76Å; L232-M236 HydrophobicContact CD2-CE 4.33Å; L232-M236 HydrophobicContact CG-CE 4.01Å; L232-M236 HydrophobicContact CG-CG 4.39Å; L232-M236 VanDerWaalsContact O-CG 3.28Å; L232-M236 WeakPolarHBondContact O-CG 3.02Å; L232-M236 PolarHBondContact O-N 3.16Å; S233-M236 PolarHBondContact O-N 2.77Å; M236-V238 PolarHBondContact O-N 2.85Å; M236-G240 CarbonylContact O-C 3.53Å; M236-G240 VanDerWaalsContact O-CA 3.24Å; M236-G240 WeakPolarHBondContact O-CA 3.27Å; M236-G240 PolarHBondContact O-N 2.91Å; M236-P242 HydrophobicContact CE-CG 4.33Å; M236-P242 VanDerWaalsContact SD-CD 3.54Å; M236-L264 HydrophobicContact CB-CD1 4.48Å; M236-L264 HydrophobicContact CG-CD1 3.84Å; M236-L293 HydrophobicContact CE-CD1 4.24Å; M236-L293 HydrophobicContact CE-CD2 4.42Å; M236-L293 HydrophobicContact SD-CD1 3.87Å; M236-L293 HydrophobicContact SD-CD2 4.45Å
237K90.4Very high84.3Confident74 Ų7441.7 Ų41.732%0.32222%0.218SC..Hα-helixtrans-64.6-20.2173.8-76169.9-170.4167.10113.7S233 Q234 I235 K270S233-K237 VanDerWaalsContact O-CG 3.29Å; S233-K237 WeakPolarHBondContact O-CG 3.29Å; S233-K237 PolarHBondContact O-N 3.43Å; S233-K237 VanDerWaalsContact O-N 3.09Å; Q234-K237 PolarHBondContact O-N 3.28Å; I235-K237 VanDerWaalsContact C-N 3.28Å; I235-K237 PolarHBondContact O-N 3.12Å; K237-K270 WeakPolarHBondContact O-CD 3.42Å; K237-K270 WeakPolarHBondContact O-CE 3.34Å
238V93.1Very high83.9Confident12 Ų1242.7 Ų42.77%0.07322%0.221CC..Hα-helixtrans-105.8-51.2-180177.20000110.5F223 I235 M236 G240 K270 F272 L275F223-V238 HydrophobicContact CD1-CG2 4.49Å; F223-V238 HydrophobicContact CE1-CB 3.79Å; F223-V238 HydrophobicContact CE1-CG1 4.3Å; F223-V238 HydrophobicContact CE1-CG2 3.76Å; F223-V238 HydrophobicContact CZ-CB 4.36Å; F223-V238 HydrophobicContact CZ-CG1 4.48Å; I235-V238 PolarHBondContact O-N 3.05Å; M236-V238 PolarHBondContact O-N 2.85Å; V238-G240 VanDerWaalsContact C-N 3.29Å; V238-G240 PolarHBondContact O-N 3.17Å; V238-K270 PolarHBondContact O-N 2.99Å; V238-F272 HydrophobicContact CG1-CE1 3.8Å; V238-F272 HydrophobicContact CG1-CZ 4.18Å; V238-L275 HydrophobicContact CG1-CD1 3.86Å
239C91.9Very high83.5Confident9 Ų942.8 Ų42.86%0.06122%0.223CC..Hα-helixtrans-81.7-11.3-173.5-53.80000113I235 R269 L293I235-C239 PolarHBondContact O-N 2.87Å; C239-R269 WeakPolarHBondContact O-CB 3.46Å; C239-L293 HydrophobicContact CB-CD1 4.38Å; C239-L293 HydrophobicContact CB-CD2 3.92Å; C239-L293 HydrophobicContact CB-CG 3.98Å
240G87.9Confident82.8Confident4 Ų438.4 Ų38.44%0.04120%0.201CC..  trans80.5173.5-168.900000112M236 V238 H267 L293M236-G240 CarbonylContact O-C 3.53Å; M236-G240 VanDerWaalsContact O-CA 3.24Å; M236-G240 WeakPolarHBondContact O-CA 3.27Å; M236-G240 PolarHBondContact O-N 2.91Å; V238-G240 VanDerWaalsContact C-N 3.29Å; V238-G240 PolarHBondContact O-N 3.17Å; G240-H267 VanDerWaalsContact CA-O 3.26Å; G240-H267 WeakPolarHBondContact CA-O 3.23Å; G240-L293 WeakPolarHBondContact O-CD1 3.23Å
241V79.9Confident81.4Confident37 Ų3741.1 Ų41.122%0.22421%0.212CC..PPolyproline II helixtrans-83.6138.4174.1179.60000109.1V261 P265 H267V241-V261 HydrophobicContact CG1-CG1 4.4Å; V241-P265 WeakPolarHBondContact CG2-O 3.38Å; V241-H267 PolarHBondContact N-O 3.3Å
242P78.2Confident79.7Confident14 Ų1445.9 Ų45.99%0.09125%0.246CC..PPolyproline II helixtrans-61.8149.2-179.622.8-32.8000112.7M236 F246 I247 V261 L293M236-P242 HydrophobicContact CE-CG 4.33Å; M236-P242 VanDerWaalsContact SD-CD 3.54Å; P242-F246 HydrophobicContact CB-CB 3.82Å; P242-F246 HydrophobicContact CB-CD1 3.15Å; P242-F246 HydrophobicContact CB-CE1 3.87Å; P242-F246 HydrophobicContact CB-CG 3.67Å; P242-F246 HydrophobicContact CG-CD1 3.58Å; P242-F246 HydrophobicContact CG-CE1 3.95Å; P242-I247 HydrophobicContact CG-CG1 4.37Å; P242-V261 HydrophobicContact CG-CG1 3.8Å; P242-L293 HydrophobicContact CB-CD1 4.02Å; P242-L293 HydrophobicContact CG-CD1 4.26Å
243G76.6Confident78.1Confident50 Ų5050.5 Ų50.552%0.51528%0.276SS..PPolyproline II helixtrans-67172.817500000113.4E245 F246 I247G243-E245 VanDerWaalsContact C-N 3.29Å; G243-E245 PolarHBondContact O-N 3.37Å; G243-F246 PolarHBondContact O-N 3.19Å; G243-I247 WeakPolarHBondContact O-CG1 3Å; G243-I247 PolarHBondContact O-N 2.93Å; G243-I247 VanDerWaalsContact O-N 3.09Å
244Q75.4Confident76.8Confident107 Ų10751.8 Ų51.850%0.528%0.279SS..Hα-helixtrans-62.8-35-177.2-170.163.630.300112.7I247 Q248Q244-I247 PolarHBondContact O-N 2.82Å; Q244-Q248 WeakPolarHBondContact O-CG 3.13Å; Q244-Q248 PolarHBondContact O-N 2.73Å
245E76.8Confident75.3Confident155 Ų15558.3 Ų58.372%0.72431%0.307SS*.Hα-helixtrans-63.3-48177.6-66.6-178.6175.100111.7G243 I247 Q248 K249G243-E245 VanDerWaalsContact C-N 3.29Å; G243-E245 PolarHBondContact O-N 3.37Å; E245-I247 VanDerWaalsContact C-N 3.3Å; E245-I247 PolarHBondContact O-N 2.8Å; E245-Q248 WeakPolarHBondContact O-CB 3.39Å; E245-Q248 PolarHBondContact O-N 2.88Å; E245-Q248 VanDerWaalsContact O-N 3.08Å; E245-K249 PolarHBondContact O-N 3.28Å; E245-K249 VanDerWaalsContact O-N 3.11Å
246F75.5Confident74Confident17 Ų1766.5 Ų66.58%0.07535%0.345CS..Hα-helixtrans-60.8-41.5174.1-178.9-90.3000111.2W197 M198 P242 G243 Q248 K249 L250 D294W197-F246 AromaticContact CH2-CE1 3.92Å; W197-F246 HydrophobicContact CH2-CE1 3.92Å; W197-F246 HydrophobicContact CH2-CZ 4.43Å; W197-F246 AromaticContact CZ2-CE1 3.74Å; W197-F246 HydrophobicContact CZ2-CE1 3.74Å; W197-F246 AromaticContact CZ2-CZ 3.79Å; W197-F246 HydrophobicContact CZ2-CZ 3.79Å; M198-F246 HydrophobicContact CE-CE2 4.3Å; P242-F246 HydrophobicContact CB-CB 3.82Å; P242-F246 HydrophobicContact CB-CD1 3.15Å; P242-F246 HydrophobicContact CB-CE1 3.87Å; P242-F246 HydrophobicContact CB-CG 3.67Å; P242-F246 HydrophobicContact CG-CD1 3.58Å; P242-F246 HydrophobicContact CG-CE1 3.95Å; G243-F246 PolarHBondContact O-N 3.19Å; F246-Q248 PolarHBondContact O-N 2.88Å; F246-K249 WeakPolarHBondContact O-CB 3.49Å; F246-K249 PolarHBondContact O-N 2.73Å; F246-K249 VanDerWaalsContact O-N 3.14Å; F246-L250 HydrophobicContact CD1-CD1 4.29Å; F246-L250 HydrophobicContact CD1-CG 4.43Å; F246-L250 HydrophobicContact CE1-CD1 4.11Å; F246-L250 HydrophobicContact CE1-CD2 4.1Å; F246-L250 HydrophobicContact CE1-CG 4.26Å; F246-L250 HydrophobicContact CZ-CD2 4.33Å; F246-L250 WeakPolarHBondContact O-CG 3.46Å; F246-L250 PolarHBondContact O-N 3.42Å; F246-D294 HydrophobicContact CD2-CB 3.8Å; F246-D294 HydrophobicContact CE2-CB 4.06Å
247I75.8Confident72.9Confident12 Ų1266.9 Ų66.96%0.06235%0.348CS..Hα-helixtrans-62-30.9176.3-66.8169.8000112.2P242 G243 Q244 E245 L250 R258 V261P242-I247 HydrophobicContact CG-CG1 4.37Å; G243-I247 WeakPolarHBondContact O-CG1 3Å; G243-I247 PolarHBondContact O-N 2.93Å; G243-I247 VanDerWaalsContact O-N 3.09Å; Q244-I247 PolarHBondContact O-N 2.82Å; E245-I247 VanDerWaalsContact C-N 3.3Å; E245-I247 PolarHBondContact O-N 2.8Å; I247-L250 WeakPolarHBondContact O-CB 3.28Å; I247-L250 PolarHBondContact O-N 2.5Å; I247-R258 HydrophobicContact CG2-CG 4.37Å; I247-V261 HydrophobicContact CD1-CG1 4.48Å; I247-V261 HydrophobicContact CG1-CG1 4.42Å
248Q74.6Confident72Confident103 Ų10367 Ų6748%0.48135%0.347SS..Hα-helixtrans-71.7-37.8174.7-75.4171.8-4.800112Q244 E245 F246 L250 E251Q244-Q248 WeakPolarHBondContact O-CG 3.13Å; Q244-Q248 PolarHBondContact O-N 2.73Å; E245-Q248 WeakPolarHBondContact O-CB 3.39Å; E245-Q248 PolarHBondContact O-N 2.88Å; E245-Q248 VanDerWaalsContact O-N 3.08Å; F246-Q248 PolarHBondContact O-N 2.88Å; Q248-L250 PolarHBondContact O-N 2.85Å; Q248-L250 VanDerWaalsContact O-N 3.15Å; Q248-E251 WeakPolarHBondContact O-CB 3.36Å; Q248-E251 WeakPolarHBondContact O-CG 3.14Å; Q248-E251 PolarHBondContact O-N 3.06Å
249K71.7Confident71.1Confident87 Ų8770.3 Ų70.338%0.37837%0.371SS..Hα-helixtrans-58-27.9172.9-65-174.3174.9-176.10112.3M198 E245 F246 E251 D294 D296M198-K249 HydrophobicContact CE-CB 3.39Å; M198-K249 HydrophobicContact CE-CD 3.94Å; M198-K249 HydrophobicContact CE-CG 4.32Å; E245-K249 PolarHBondContact O-N 3.28Å; E245-K249 VanDerWaalsContact O-N 3.11Å; F246-K249 WeakPolarHBondContact O-CB 3.49Å; F246-K249 PolarHBondContact O-N 2.73Å; F246-K249 VanDerWaalsContact O-N 3.14Å; K249-E251 PolarHBondContact O-N 3.47Å; K249-D294 WeakPolarHBondContact CE-OD2 3.45Å; K249-D294 IonicContact NZ-OD1 2.82Å; K249-D294 PolarHBondContact NZ-OD1 3.41Å; K249-D294 IonicContact NZ-OD2 3.42Å; K249-D294 PolarHBondContact NZ-OD2 3.38Å; K249-D296 IonicContact NZ-OD2 3.67Å; K249-D296 PolarHBondContact NZ-OD2 2.97Å
250L66.7Low70.3Confident3 Ų372.1 Ų72.12%0.01638%0.377CS..THydrogen-bonded Turntrans-73.6-3.3174.8-53.9176.6000114.9W197 M198 F246 I247 Q248 S252W197-L250 HydrophobicContact CD2-CD2 3.32Å; W197-L250 HydrophobicContact CD2-CG 4.49Å; W197-L250 VanDerWaalsContact CE2-CD2 3.48Å; W197-L250 HydrophobicContact CE3-CD1 3.78Å; W197-L250 HydrophobicContact CE3-CD2 3.28Å; W197-L250 HydrophobicContact CE3-CG 4.01Å; W197-L250 HydrophobicContact CG-CD2 4.01Å; W197-L250 HydrophobicContact CH2-CD1 3.5Å; W197-L250 HydrophobicContact CH2-CD2 3.71Å; W197-L250 HydrophobicContact CH2-CG 4.22Å; W197-L250 HydrophobicContact CZ2-CD1 4.32Å; W197-L250 HydrophobicContact CZ2-CD2 3.69Å; W197-L250 HydrophobicContact CZ3-CD1 3.17Å; W197-L250 HydrophobicContact CZ3-CD2 3.51Å; W197-L250 HydrophobicContact CZ3-CG 3.89Å; M198-L250 HydrophobicContact CE-CD2 4.34Å; F246-L250 HydrophobicContact CD1-CD1 4.29Å; F246-L250 HydrophobicContact CD1-CG 4.43Å; F246-L250 HydrophobicContact CE1-CD1 4.11Å; F246-L250 HydrophobicContact CE1-CD2 4.1Å; F246-L250 HydrophobicContact CE1-CG 4.26Å; F246-L250 HydrophobicContact CZ-CD2 4.33Å; F246-L250 WeakPolarHBondContact O-CG 3.46Å; F246-L250 PolarHBondContact O-N 3.42Å; I247-L250 WeakPolarHBondContact O-CB 3.28Å; I247-L250 PolarHBondContact O-N 2.5Å; Q248-L250 PolarHBondContact O-N 2.85Å; Q248-L250 VanDerWaalsContact O-N 3.15Å; L250-S252 VanDerWaalsContact C-N 3.27Å; L250-S252 PolarHBondContact O-N 3.02Å
251E55.8Low69.7Low96 Ų9672 Ų7245%0.44938%0.375SS..THydrogen-bonded Turntrans-76.9-4.7-169.7-70.1-177.2163.100114.9Q248 K249 R258Q248-E251 WeakPolarHBondContact O-CB 3.36Å; Q248-E251 WeakPolarHBondContact O-CG 3.14Å; Q248-E251 PolarHBondContact O-N 3.06Å; K249-E251 PolarHBondContact O-N 3.47Å; E251-R258 IonicContact OE1-CZ 3.77Å; E251-R258 IonicContact OE1-NE 2.89Å; E251-R258 IonicContact OE1-NH1 2.68Å; E251-R258 PolarHBondContact OE1-NH1 2.65Å; E251-R258 IonicContact OE1-NH2 2.71Å; E251-R258 PolarHBondContact OE1-NH2 3.12Å
252S53.8Low69.5Low102 Ų10275.8 Ų75.871%0.71339%0.389SS*.SBendtrans-98.3-19.4-160.2-43.60000117.2L250L250-S252 VanDerWaalsContact C-N 3.27Å; L250-S252 PolarHBondContact O-N 3.02Å
253P53.9Low69.6Low96 Ų9679 Ų7962%0.62341%0.412SS*.SBendtrans-142.7-27.9152.112.311.7000118.4K255P253-K255 PolarHBondContact O-N 3.16Å
254E60Low69.6Low54 Ų5477.6 Ų77.625%0.25239%0.392SS..  trans-10080.5-168.7-52.183.2-164.800115.7W197 Q256 A257W197-E254 WeakPolarHBondContact CA-OE1 3.41Å; W197-E254 WeakPolarHBondContact CA-OE2 3.45Å; W197-E254 HydrophobicContact CB-CG 4.28Å; W197-E254 WeakPolarHBondContact CB-OE2 3.42Å; E254-Q256 PolarHBondContact O-N 3.21Å; E254-A257 HydrophobicContact CB-CB 4.3Å; E254-A257 PolarHBondContact O-N 2.82Å
255K60.5Low69.7Low189 Ų18976.4 Ų76.482%0.82239%0.394SS*.Hα-helixtrans-49.9-30.9175.3-69.3-178.7-179.61760114.6P253 S259P253-K255 PolarHBondContact O-N 3.16Å; K255-S259 PolarHBondContact O-N 2.97Å
256Q65Low69.8Low172 Ų17279.4 Ų79.480%0.80440%0.398SS*.Hα-helixtrans-71.4-43.2-177.6-67.9179.814.600112.7E254 R258 S259 Y260E254-Q256 PolarHBondContact O-N 3.21Å; Q256-R258 VanDerWaalsContact C-N 3.35Å; Q256-R258 PolarHBondContact O-N 3.29Å; Q256-S259 PolarHBondContact O-N 2.72Å; Q256-Y260 PolarHBondContact O-N 3.35Å
257A66.6Low69.9Low11 Ų1182.1 Ų82.19%0.09141%0.411CS..Hα-helixtrans-68.2-37-178.200000111.4L195 W197 E254 Y260 V261L195-A257 HydrophobicContact CD2-CB 4.32Å; W197-A257 HydrophobicContact CD2-CB 4.38Å; W197-A257 HydrophobicContact CE3-CB 3.35Å; W197-A257 HydrophobicContact CZ3-CB 3.83Å; E254-A257 HydrophobicContact CB-CB 4.3Å; E254-A257 PolarHBondContact O-N 2.82Å; A257-Y260 PolarHBondContact O-N 2.79Å; A257-V261 WeakPolarHBondContact O-CG2 3.47Å; A257-V261 PolarHBondContact O-N 2.98Å
258R72.4Confident70.3Confident76 Ų7686.8 Ų86.829%0.28744%0.442SS..Hα-helixtrans-59.4-48.2171.8-175.7-178.7-175.6-165.40.7112.6I247 E251 Q256 Y260 V261 K262I247-R258 HydrophobicContact CG2-CG 4.37Å; E251-R258 IonicContact OE1-CZ 3.77Å; E251-R258 IonicContact OE1-NE 2.89Å; E251-R258 IonicContact OE1-NH1 2.68Å; E251-R258 PolarHBondContact OE1-NH1 2.65Å; E251-R258 IonicContact OE1-NH2 2.71Å; E251-R258 PolarHBondContact OE1-NH2 3.12Å; Q256-R258 VanDerWaalsContact C-N 3.35Å; Q256-R258 PolarHBondContact O-N 3.29Å; R258-Y260 PolarHBondContact O-N 3.43Å; R258-V261 PolarHBondContact O-N 2.89Å; R258-K262 HydrophobicContact CG-CD 4.4Å; R258-K262 VanDerWaalsContact NH2-NZ 3.2Å; R258-K262 WeakPolarHBondContact O-CG 3.33Å; R258-K262 PolarHBondContact O-N 2.83Å
259S75.1Confident71.1Confident83 Ų8386.4 Ų86.458%0.5844%0.436SS*.Hα-helixtrans-61.1-38.7178.8-169.50000111.1K255 Q256 S263K255-S259 PolarHBondContact O-N 2.97Å; Q256-S259 PolarHBondContact O-N 2.72Å; S259-S263 WeakPolarHBondContact O-CB 3.44Å; S259-S263 PolarHBondContact O-N 3.28Å; S259-S263 VanDerWaalsContact O-N 3.13Å
260Y74.7Confident72.1Confident46 Ų4686.9 Ų86.918%0.1844%0.438CS..Hα-helixtrans-66.4-50.8177.6-176.7-110.4000112.2M229 L232 Q256 A257 R258 K262 S263 L264M229-Y260 HydrophobicContact CB-CE2 4.31Å; M229-Y260 HydrophobicContact CE-CD2 3.86Å; M229-Y260 HydrophobicContact CE-CE2 4.16Å; M229-Y260 HydrophobicContact CE-CG 4.06Å; M229-Y260 HydrophobicContact CG-CE2 4.28Å; M229-Y260 PolarHBondContact O-OH 2.68Å; M229-Y260 HydrophobicContact SD-CD1 3.73Å; M229-Y260 HydrophobicContact SD-CD2 3.7Å; M229-Y260 HydrophobicContact SD-CE1 3.55Å; M229-Y260 VanDerWaalsContact SD-CE1 3.55Å; M229-Y260 HydrophobicContact SD-CE2 3.53Å; M229-Y260 VanDerWaalsContact SD-CE2 3.53Å; M229-Y260 HydrophobicContact SD-CG 3.8Å; L232-Y260 HydrophobicContact CB-CE1 4.12Å; L232-Y260 HydrophobicContact CD2-CD1 3.54Å; L232-Y260 HydrophobicContact CD2-CE1 3.47Å; L232-Y260 VanDerWaalsContact CD2-CE1 3.47Å; L232-Y260 HydrophobicContact CG-CE1 4.27Å; Q256-Y260 PolarHBondContact O-N 3.35Å; A257-Y260 PolarHBondContact O-N 2.79Å; R258-Y260 PolarHBondContact O-N 3.43Å; Y260-K262 VanDerWaalsContact C-N 3.27Å; Y260-K262 PolarHBondContact O-N 3.08Å; Y260-S263 WeakPolarHBondContact O-CA 3.47Å; Y260-S263 WeakPolarHBondContact O-CB 3.46Å; Y260-S263 PolarHBondContact O-N 3.13Å; Y260-S263 PolarHBondContact O-OG 2.76Å; Y260-L264 HydrophobicContact CD1-CD1 4.31Å; Y260-L264 HydrophobicContact CE1-CD1 3.89Å; Y260-L264 HydrophobicContact CE1-CD2 4.14Å; Y260-L264 HydrophobicContact CE1-CG 4.16Å; Y260-L264 HydrophobicContact CE2-CD2 4.28Å; Y260-L264 PolarHBondContact O-N 2.78Å; Y260-L264 VanDerWaalsContact O-N 3.17Å
261V74.2Confident73.4Confident2 Ų290.8 Ų90.81%0.01246%0.459CS..Hα-helixtrans-58-40.4178.2173.20000111.7W197 L232 V241 P242 I247 A257 R258 S263 L264W197-V261 HydrophobicContact CH2-CG2 3.74Å; W197-V261 HydrophobicContact CZ3-CG2 3.71Å; L232-V261 HydrophobicContact CD2-CG2 4.24Å; V241-V261 HydrophobicContact CG1-CG1 4.4Å; P242-V261 HydrophobicContact CG-CG1 3.8Å; I247-V261 HydrophobicContact CD1-CG1 4.48Å; I247-V261 HydrophobicContact CG1-CG1 4.42Å; A257-V261 WeakPolarHBondContact O-CG2 3.47Å; A257-V261 PolarHBondContact O-N 2.98Å; R258-V261 PolarHBondContact O-N 2.89Å; V261-S263 VanDerWaalsContact C-N 3.27Å; V261-S263 PolarHBondContact O-N 3.17Å; V261-L264 PolarHBondContact O-N 2.93Å
262K77.2Confident75.3Confident116 Ų11686.2 Ų86.250%0.50444%0.438SS..Hα-helixtrans-66.2-27.2175.5-73.3-176.7179.3-175.70113.5R258 Y260R258-K262 HydrophobicContact CG-CD 4.4Å; R258-K262 VanDerWaalsContact NH2-NZ 3.2Å; R258-K262 WeakPolarHBondContact O-CG 3.33Å; R258-K262 PolarHBondContact O-N 2.83Å; Y260-K262 VanDerWaalsContact C-N 3.27Å; Y260-K262 PolarHBondContact O-N 3.08Å
263S80.1Confident77.3Confident83 Ų8383.8 Ų83.858%0.5842%0.421SS*.Hα-helixtrans-82-16.6178.375.50000113.6S259 Y260 V261S259-S263 WeakPolarHBondContact O-CB 3.44Å; S259-S263 PolarHBondContact O-N 3.28Å; S259-S263 VanDerWaalsContact O-N 3.13Å; Y260-S263 WeakPolarHBondContact O-CA 3.47Å; Y260-S263 WeakPolarHBondContact O-CB 3.46Å; Y260-S263 PolarHBondContact O-N 3.13Å; Y260-S263 PolarHBondContact O-OG 2.76Å; V261-S263 VanDerWaalsContact C-N 3.27Å; V261-S263 PolarHBondContact O-N 3.17Å
264L75.7Confident79.3Confident20 Ų2083.9 Ų83.911%0.10542%0.42CS..SBendtrans-70.2142-179.2-73.1176.1000111.2L232 M236 Y260 V261 R266L232-L264 HydrophobicContact CD2-CD1 4.27Å; M236-L264 HydrophobicContact CB-CD1 4.48Å; M236-L264 HydrophobicContact CG-CD1 3.84Å; Y260-L264 HydrophobicContact CD1-CD1 4.31Å; Y260-L264 HydrophobicContact CE1-CD1 3.89Å; Y260-L264 HydrophobicContact CE1-CD2 4.14Å; Y260-L264 HydrophobicContact CE1-CG 4.16Å; Y260-L264 HydrophobicContact CE2-CD2 4.28Å; Y260-L264 PolarHBondContact O-N 2.78Å; Y260-L264 VanDerWaalsContact O-N 3.17Å; V261-L264 PolarHBondContact O-N 2.93Å; L264-R266 PolarHBondContact O-N 2.83Å
265P77.5Confident81Confident81 Ų8183.4 Ų83.453%0.52642%0.419SS..  trans-56.2133.9171.9-22.632.4000110.9V241 H267V241-P265 WeakPolarHBondContact CG2-O 3.38Å; P265-H267 PolarHBondContact O-CD2 3.16Å; P265-H267 PolarHBondContact O-N 3.48Å; P265-H267 VanDerWaalsContact O-N 3.15Å
266R78.1Confident82.6Confident218 Ų21874.5 Ų74.582%0.82338%0.38SS*.  trans-71.1110.4175-73.2-176.1175.9171.7-2.6109.5L264L264-R266 PolarHBondContact O-N 2.83Å
267H78Confident84Confident75 Ų7571 Ų7135%0.34737%0.372SS..  trans-105.5135.4170.6-64.2-63.4000109.4G240 V241 P265G240-H267 VanDerWaalsContact CA-O 3.26Å; G240-H267 WeakPolarHBondContact CA-O 3.23Å; V241-H267 PolarHBondContact N-O 3.3Å; P265-H267 PolarHBondContact O-CD2 3.16Å; P265-H267 PolarHBondContact O-N 3.48Å; P265-H267 VanDerWaalsContact O-N 3.15Å
268P85.3Confident85.2Confident110 Ų11075.7 Ų75.771%0.71439%0.388SS*.PPolyproline II helixtrans-65151.3166.529.2-33.2000109.6K270P268-K270 PolarHBondContact O-N 3.17Å
269R90.1Very high86.4Confident95 Ų9572.7 Ų72.736%0.35838%0.38SS..PPolyproline II helixtrans-57.7132.8169.6-177.3172.7176.3124.1-5.7108.5C239 E288 L291C239-R269 WeakPolarHBondContact O-CB 3.46Å; R269-E288 PolarHBondContact NH2-O 2.92Å; R269-L291 PolarHBondContact NH1-O 3.23Å
270K93Very high87.4Confident96 Ų9670.4 Ų70.442%0.41736%0.363SS..PPolyproline II helixtrans-73.3146.3176.4-71.4-171173.8178.10110K237 V238 P268 F272 L275K237-K270 WeakPolarHBondContact O-CD 3.42Å; K237-K270 WeakPolarHBondContact O-CE 3.34Å; V238-K270 PolarHBondContact O-N 2.99Å; P268-K270 PolarHBondContact O-N 3.17Å; K270-F272 WeakPolarHBondContact O-CD1 3.5Å; K270-F272 PolarHBondContact O-N 3.17Å; K270-L275 HydrophobicContact CB-CD1 3.74Å; K270-L275 HydrophobicContact CB-CG 4.3Å; K270-L275 HydrophobicContact CD-CD1 3.93Å; K270-L275 HydrophobicContact CD-CD2 3.98Å; K270-L275 HydrophobicContact CD-CG 4.3Å
271D94.8Very high88.5Confident86 Ų8676.4 Ų76.446%0.4639%0.393SS..PPolyproline II helixtrans-71.4116.8170.4179.7-10.3000109.6S273 T274 L275D271-S273 VanDerWaalsContact C-N 3.25Å; D271-S273 PolarHBondContact O-N 3.49Å; D271-S273 VanDerWaalsContact OD1-CB 3.32Å; D271-S273 WeakPolarHBondContact OD1-CB 3.23Å; D271-S273 PolarHBondContact OD1-N 2.9Å; D271-S273 PolarHBondContact OD1-OG 3.26Å; D271-S273 PolarHBondContact OD2-OG 2.92Å; D271-S273 VanDerWaalsContact OD2-OG 3.08Å; D271-T274 HydrophobicContact CB-CG2 4.06Å; D271-T274 PolarHBondContact O-N 3.41Å; D271-T274 PolarHBondContact O-OG1 3.06Å; D271-L275 PolarHBondContact O-N 3.44Å
272F96.4Very high89.7Confident0 Ų079 Ų790%041%0.409CS..Hα-helixtrans-69.1-24.2-176.3-83.829.6000112.4V238 K270 T274 L275 F276 I284 L287 E288 L291V238-F272 HydrophobicContact CG1-CE1 3.8Å; V238-F272 HydrophobicContact CG1-CZ 4.18Å; K270-F272 WeakPolarHBondContact O-CD1 3.5Å; K270-F272 PolarHBondContact O-N 3.17Å; F272-T274 PolarHBondContact O-N 3.3Å; F272-L275 HydrophobicContact CD1-CD1 4.13Å; F272-L275 HydrophobicContact CE1-CD1 4.41Å; F272-L275 PolarHBondContact O-N 3.33Å; F272-L275 VanDerWaalsContact O-N 3.16Å; F272-F276 HydrophobicContact CB-CD2 3.98Å; F272-F276 HydrophobicContact CB-CE2 4.29Å; F272-F276 HydrophobicContact CD1-CE2 4.49Å; F272-F276 HydrophobicContact CD2-CD2 4.16Å; F272-F276 AromaticContact CD2-CE2 3.79Å; F272-F276 HydrophobicContact CD2-CE2 3.79Å; F272-F276 HydrophobicContact CE2-CE2 4.24Å; F272-F276 HydrophobicContact CG-CD2 4.14Å; F272-F276 AromaticContact CG-CE2 3.93Å; F272-F276 HydrophobicContact CG-CE2 3.93Å; F272-F276 WeakPolarHBondContact O-CB 3.37Å; F272-F276 VanDerWaalsContact O-CD2 3.29Å; F272-F276 WeakPolarHBondContact O-CD2 3.46Å; F272-F276 PolarHBondContact O-N 2.79Å; F272-I284 HydrophobicContact CB-CG2 3.74Å; F272-L287 HydrophobicContact CD2-CB 3.85Å; F272-L287 HydrophobicContact CE2-CB 4.03Å; F272-E288 HydrophobicContact CB-CG 3.9Å; F272-E288 HydrophobicContact CD1-CG 4.45Å; F272-E288 HydrophobicContact CD2-CB 4.4Å; F272-E288 HydrophobicContact CD2-CG 3.44Å; F272-E288 VanDerWaalsContact CD2-CG 3.44Å; F272-E288 HydrophobicContact CE2-CG 4.01Å; F272-E288 HydrophobicContact CG-CG 3.7Å; F272-L291 HydrophobicContact CE2-CB 4.12Å; F272-L291 HydrophobicContact CE2-CD1 3.82Å; F272-L291 HydrophobicContact CZ-CB 4.07Å; F272-L291 HydrophobicContact CZ-CD1 4.03Å
273S95.7Very high90.6Very high51 Ų5173.5 Ų73.536%0.35739%0.385SS..Hα-helixtrans-62.6-35.3173.872.90000111.9D271 F276 P277D271-S273 VanDerWaalsContact C-N 3.25Å; D271-S273 PolarHBondContact O-N 3.49Å; D271-S273 VanDerWaalsContact OD1-CB 3.32Å; D271-S273 WeakPolarHBondContact OD1-CB 3.23Å; D271-S273 PolarHBondContact OD1-N 2.9Å; D271-S273 PolarHBondContact OD1-OG 3.26Å; D271-S273 PolarHBondContact OD2-OG 2.92Å; D271-S273 VanDerWaalsContact OD2-OG 3.08Å; S273-F276 CarbonylContact O-C 3.57Å; S273-P277 WeakPolarHBondContact O-CA 3.34Å
274T95.1Very high91.5Very high97 Ų9770.6 Ų70.660%0.59536%0.363SS*.Hα-helixtrans-75.5-30.8175.770.90000112.8D271 F272D271-T274 HydrophobicContact CB-CG2 4.06Å; D271-T274 PolarHBondContact O-N 3.41Å; D271-T274 PolarHBondContact O-OG1 3.06Å; F272-T274 PolarHBondContact O-N 3.3Å
275L94.6Very high92.6Very high45 Ų4572.4 Ų72.424%0.23637%0.373CS..Hα-helixtrans-79.9-30.5178.6-71.2-179.7000113N218 V238 K270 D271 F272 P277N218-L275 PolarHBondContact ND2-O 3.29Å; V238-L275 HydrophobicContact CG1-CD1 3.86Å; K270-L275 HydrophobicContact CB-CD1 3.74Å; K270-L275 HydrophobicContact CB-CG 4.3Å; K270-L275 HydrophobicContact CD-CD1 3.93Å; K270-L275 HydrophobicContact CD-CD2 3.98Å; K270-L275 HydrophobicContact CD-CG 4.3Å; D271-L275 PolarHBondContact O-N 3.44Å; F272-L275 HydrophobicContact CD1-CD1 4.13Å; F272-L275 HydrophobicContact CE1-CD1 4.41Å; F272-L275 PolarHBondContact O-N 3.33Å; F272-L275 VanDerWaalsContact O-N 3.16Å; L275-P277 WeakPolarHBondContact O-CD 3.44Å
276F95.6Very high93.6Very high1 Ų168.6 Ų68.60%0.00435%0.348CS..  trans-127.759.4-175.4-52.3-71.5000111.1A214 I217 N218 L222 F272 S273 R278 A279 L287A214-F276 HydrophobicContact CB-CE1 3.6Å; A214-F276 HydrophobicContact CB-CZ 3.65Å; I217-F276 HydrophobicContact CG2-CB 4.35Å; I217-F276 HydrophobicContact CG2-CD1 4.11Å; N218-F276 WeakPolarHBondContact ND2-CD1 3.44Å; N218-F276 VanDerWaalsContact ND2-CE1 3.25Å; N218-F276 WeakPolarHBondContact ND2-CE1 3.46Å; L222-F276 HydrophobicContact CD1-CZ 4.05Å; F272-F276 HydrophobicContact CB-CD2 3.98Å; F272-F276 HydrophobicContact CB-CE2 4.29Å; F272-F276 HydrophobicContact CD1-CE2 4.49Å; F272-F276 HydrophobicContact CD2-CD2 4.16Å; F272-F276 AromaticContact CD2-CE2 3.79Å; F272-F276 HydrophobicContact CD2-CE2 3.79Å; F272-F276 HydrophobicContact CE2-CE2 4.24Å; F272-F276 HydrophobicContact CG-CD2 4.14Å; F272-F276 AromaticContact CG-CE2 3.93Å; F272-F276 HydrophobicContact CG-CE2 3.93Å; F272-F276 WeakPolarHBondContact O-CB 3.37Å; F272-F276 VanDerWaalsContact O-CD2 3.29Å; F272-F276 WeakPolarHBondContact O-CD2 3.46Å; F272-F276 PolarHBondContact O-N 2.79Å; S273-F276 CarbonylContact O-C 3.57Å; F276-R278 PolarHBondContact O-N 3.22Å; F276-A279 HydrophobicContact CB-CB 4.12Å; F276-A279 PolarHBondContact O-N 2.68Å; F276-L287 HydrophobicContact CD1-CD1 4.33Å; F276-L287 HydrophobicContact CD2-CD1 3.8Å; F276-L287 HydrophobicContact CE1-CD1 4.44Å; F276-L287 HydrophobicContact CE2-CD1 3.93Å; F276-L287 HydrophobicContact CG-CD1 4.02Å; F276-L287 HydrophobicContact CZ-CD1 4.25Å
277P94.4Very high94.5Very high99 Ų9958.2 Ų58.264%0.64331%0.309SS*.THydrogen-bonded Turntrans-67-3.1-172.129-38000114.8S273 L275S273-P277 WeakPolarHBondContact O-CA 3.34Å; L275-P277 WeakPolarHBondContact O-CD 3.44Å
278R92.3Very high95.5Very high109 Ų10957.8 Ų57.841%0.41131%0.307SS..THydrogen-bonded Turntrans-109.4-1.5178.5-67.4-177.1-65125.115.5113.2Q121 I217 F276Q121-R278 VanDerWaalsContact CD-NH1 3.32Å; Q121-R278 VanDerWaalsContact NE2-NH2 3.11Å; I217-R278 PolarHBondContact O-NH2 3.07Å; F276-R278 PolarHBondContact O-N 3.22Å
279A95.8Very high96Very high14 Ų1456.3 Ų56.312%0.11629%0.289CS..SBendtrans-88.2144.7173.100000109.3I217 F276 I284I217-A279 HydrophobicContact CD1-CB 4.15Å; I217-A279 HydrophobicContact CG2-CB 4.45Å; F276-A279 HydrophobicContact CB-CB 4.12Å; F276-A279 PolarHBondContact O-N 2.68Å; A279-I284 HydrophobicContact CB-CD1 4.48Å; A279-I284 HydrophobicContact CB-CG1 3.91Å
280S97.2Very high96.4Very high34 Ų3451.8 Ų51.824%0.23827%0.272CS..  trans-60.5161.5168.363.50000111.5E124 T282 G283 I284E124-S280 WeakPolarHBondContact OE1-CB 3.37Å; E124-S280 PolarHBondContact OE1-N 2.97Å; E124-S280 PolarHBondContact OE1-OG 2.94Å; E124-S280 PolarHBondContact OE2-N 3.21Å; S280-T282 PolarHBondContact O-N 3.01Å; S280-T282 PolarHBondContact OG-OG1 2.94Å; S280-G283 PolarHBondContact O-N 3.29Å; S280-G283 PolarHBondContact OG-N 3.44Å; S280-G283 VanDerWaalsContact OG-N 3.08Å; S280-I284 WeakPolarHBondContact O-CG1 3.47Å; S280-I284 PolarHBondContact O-N 3.13Å
281E97.8Very high96.6Very high173 Ų17347.2 Ų47.281%0.80825%0.252SS*.Hα-helixtrans-53.2-42.8172.8-64.3180177.500111.4G283 I284 D285E281-G283 PolarHBondContact O-N 3.4Å; E281-I284 PolarHBondContact O-N 3.31Å; E281-D285 VanDerWaalsContact O-CB 3.28Å; E281-D285 WeakPolarHBondContact O-CB 3.39Å; E281-D285 PolarHBondContact O-N 2.83Å
282T98.1Very high96.5Very high56 Ų5644.2 Ų44.234%0.34424%0.237SC..Hα-helixtrans-67-32.4176.851.90000113.6S280 L286 H307 P308S280-T282 PolarHBondContact O-N 3.01Å; S280-T282 PolarHBondContact OG-OG1 2.94Å; T282-L286 WeakPolarHBondContact O-CB 3.46Å; T282-L286 PolarHBondContact O-N 3.48Å; T282-L286 VanDerWaalsContact O-N 3.08Å; T282-H307 PolarHBondContact O-CE1 3.08Å; T282-H307 VanDerWaalsContact O-CE1 3.3Å; T282-P308 HydrophobicContact CG2-CB 4.33Å
283G97.8Very high96.2Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-72.8-38.3175.700000112.3M213 S280 E281 L287M213-G283 WeakPolarHBondContact CE-O 3.22Å; S280-G283 PolarHBondContact O-N 3.29Å; S280-G283 PolarHBondContact OG-N 3.44Å; S280-G283 VanDerWaalsContact OG-N 3.08Å; E281-G283 PolarHBondContact O-N 3.4Å; G283-L287 PolarHBondContact O-N 3.05Å; G283-L287 VanDerWaalsContact O-N 3.11Å
284I98.3Very high95.8Very high22 Ų2243.1 Ų43.111%0.11323%0.227CC..Hα-helixtrans-63.4-49.6173-70.7160.4000110.2F272 A279 S280 E281 L286 L287 E288F272-I284 HydrophobicContact CB-CG2 3.74Å; A279-I284 HydrophobicContact CB-CD1 4.48Å; A279-I284 HydrophobicContact CB-CG1 3.91Å; S280-I284 WeakPolarHBondContact O-CG1 3.47Å; S280-I284 PolarHBondContact O-N 3.13Å; E281-I284 PolarHBondContact O-N 3.31Å; I284-L286 VanDerWaalsContact C-N 3.31Å; I284-L286 PolarHBondContact O-N 3.12Å; I284-L287 WeakPolarHBondContact O-CB 3.41Å; I284-L287 PolarHBondContact O-N 2.93Å; I284-L287 VanDerWaalsContact O-N 3.1Å; I284-E288 HydrophobicContact CG2-CG 4.45Å; I284-E288 WeakPolarHBondContact O-CG 3.34Å; I284-E288 PolarHBondContact O-N 2.67Å
285D98.4Very high95.5Very high59 Ų5938.8 Ų38.832%0.31620%0.202SC..Hα-helixtrans-59-40.7179.3178.343.7000111.9E281 E288 K289 H307E281-D285 VanDerWaalsContact O-CB 3.28Å; E281-D285 WeakPolarHBondContact O-CB 3.39Å; E281-D285 PolarHBondContact O-N 2.83Å; D285-E288 PolarHBondContact O-N 3.32Å; D285-K289 WeakPolarHBondContact O-CG 3.38Å; D285-K289 PolarHBondContact O-N 2.95Å; D285-K289 VanDerWaalsContact O-N 3.16Å; D285-K289 IonicContact OD1-NZ 2.54Å; D285-K289 PolarHBondContact OD1-NZ 2.72Å; D285-K289 IonicContact OD2-NZ 3.11Å; D285-K289 PolarHBondContact OD2-NZ 3.27Å; D285-H307 IonicContact OD2-CE1 3.62Å; D285-H307 PolarHBondContact OD2-CE1 2.89Å; D285-H307 VanDerWaalsContact OD2-CE1 3.31Å; D285-H307 IonicContact OD2-NE2 3.98Å; D285-H307 PolarHBondContact OD2-NE2 2.81Å
286L98.6Very high95.1Very high1 Ų141.7 Ų41.71%0.00522%0.217CC..Hα-helixtrans-62.9-45.4173.5-175.262.4000112.3M213 T282 I284 E288 K289 M290 H307 Y309 F310M213-L286 HydrophobicContact CE-CD2 4.25Å; M213-L286 HydrophobicContact SD-CD2 4.06Å; M213-L286 HydrophobicContact SD-CG 4.48Å; T282-L286 WeakPolarHBondContact O-CB 3.46Å; T282-L286 PolarHBondContact O-N 3.48Å; T282-L286 VanDerWaalsContact O-N 3.08Å; I284-L286 VanDerWaalsContact C-N 3.31Å; I284-L286 PolarHBondContact O-N 3.12Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 2.66Å; L286-K289 PolarHBondContact O-N 2.83Å; L286-M290 HydrophobicContact CD1-CE 3.76Å; L286-M290 HydrophobicContact CD2-CE 3.94Å; L286-M290 HydrophobicContact CG-CE 3.8Å; L286-M290 HydrophobicContact CG-SD 4.35Å; L286-M290 WeakPolarHBondContact O-CG 3.37Å; L286-M290 PolarHBondContact O-N 3.21Å; L286-H307 HydrophobicContact CD1-CB 3.95Å; L286-Y309 HydrophobicContact CD2-CD1 3.46Å; L286-Y309 VanDerWaalsContact CD2-CD1 3.46Å; L286-Y309 HydrophobicContact CD2-CE1 4.21Å; L286-Y309 HydrophobicContact CD2-CG 4.1Å; L286-F310 HydrophobicContact CD1-CE2 4.49Å; L286-F310 HydrophobicContact CD2-CE1 4.44Å; L286-F310 HydrophobicContact CD2-CE2 3.56Å; L286-F310 HydrophobicContact CD2-CZ 3.42Å; L286-F310 VanDerWaalsContact CD2-CZ 3.42Å
287L98.1Very high94.9Very high0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-59.8-41.2176.6-83.4172.9000111.7G210 M213 A214 I217 F272 F276 G283 I284 K289 M290 L291G210-L287 VanDerWaalsContact O-CD2 3.31Å; G210-L287 WeakPolarHBondContact O-CD2 3.28Å; M213-L287 HydrophobicContact CB-CD2 3.92Å; M213-L287 HydrophobicContact CE-CG 4.08Å; M213-L287 HydrophobicContact CG-CD2 3.82Å; M213-L287 HydrophobicContact CG-CG 4.2Å; M213-L287 HydrophobicContact SD-CD2 3.91Å; M213-L287 HydrophobicContact SD-CG 3.93Å; A214-L287 HydrophobicContact CB-CD2 4.07Å; I217-L287 HydrophobicContact CD1-CD1 3.78Å; F272-L287 HydrophobicContact CD2-CB 3.85Å; F272-L287 HydrophobicContact CE2-CB 4.03Å; F276-L287 HydrophobicContact CD1-CD1 4.33Å; F276-L287 HydrophobicContact CD2-CD1 3.8Å; F276-L287 HydrophobicContact CE1-CD1 4.44Å; F276-L287 HydrophobicContact CE2-CD1 3.93Å; F276-L287 HydrophobicContact CG-CD1 4.02Å; F276-L287 HydrophobicContact CZ-CD1 4.25Å; G283-L287 PolarHBondContact O-N 3.05Å; G283-L287 VanDerWaalsContact O-N 3.11Å; I284-L287 WeakPolarHBondContact O-CB 3.41Å; I284-L287 PolarHBondContact O-N 2.93Å; I284-L287 VanDerWaalsContact O-N 3.1Å; L287-K289 VanDerWaalsContact C-N 3.31Å; L287-K289 PolarHBondContact O-N 2.63Å; L287-M290 PolarHBondContact O-N 3.38Å; L287-L291 HydrophobicContact CD2-CD1 4.27Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 PolarHBondContact O-N 3.17Å
288E97.3Very high94.9Very high65 Ų6543.7 Ų43.730%0.30422%0.218SC..Hα-helixtrans-63.3-38.2179.9-74.7-170.9141.800112.4R269 F272 I284 D285 L286 V292R269-E288 PolarHBondContact NH2-O 2.92Å; F272-E288 HydrophobicContact CB-CG 3.9Å; F272-E288 HydrophobicContact CD1-CG 4.45Å; F272-E288 HydrophobicContact CD2-CB 4.4Å; F272-E288 HydrophobicContact CD2-CG 3.44Å; F272-E288 VanDerWaalsContact CD2-CG 3.44Å; F272-E288 HydrophobicContact CE2-CG 4.01Å; F272-E288 HydrophobicContact CG-CG 3.7Å; I284-E288 HydrophobicContact CG2-CG 4.45Å; I284-E288 WeakPolarHBondContact O-CG 3.34Å; I284-E288 PolarHBondContact O-N 2.67Å; D285-E288 PolarHBondContact O-N 3.32Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 2.66Å; E288-V292 VanDerWaalsContact O-CG2 3.28Å; E288-V292 WeakPolarHBondContact O-CG2 3.46Å
289K97.6Very high95.2Very high80 Ų8039.5 Ų39.535%0.34821%0.205SC..Hα-helixtrans-70.9-34.8174.4-68.7-175.8-179.684.20113.2D285 L286 L287 V292 P299 H307D285-K289 WeakPolarHBondContact O-CG 3.38Å; D285-K289 PolarHBondContact O-N 2.95Å; D285-K289 VanDerWaalsContact O-N 3.16Å; D285-K289 IonicContact OD1-NZ 2.54Å; D285-K289 PolarHBondContact OD1-NZ 2.72Å; D285-K289 IonicContact OD2-NZ 3.11Å; D285-K289 PolarHBondContact OD2-NZ 3.27Å; L286-K289 PolarHBondContact O-N 2.83Å; L287-K289 VanDerWaalsContact C-N 3.31Å; L287-K289 PolarHBondContact O-N 2.63Å; K289-V292 WeakPolarHBondContact O-CG2 3.32Å; K289-P299 HydrophobicContact CB-CG 4.37Å; K289-P299 WeakPolarHBondContact O-CD 2.88Å; K289-H307 PolarHBondContact NZ-NE2 3.33Å; K289-H307 VanDerWaalsContact NZ-NE2 3.12Å
290M98.1Very high95.3Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-77.3-36.9178.4-69.6-174.1176.100113V131 L135 I206 V209 L286 L287 V292 R298 A304V131-M290 HydrophobicContact CG1-CE 4.45Å; L135-M290 HydrophobicContact CD1-CE 3.84Å; L135-M290 HydrophobicContact CD2-CE 4.02Å; L135-M290 HydrophobicContact CG-CE 4.4Å; I206-M290 HydrophobicContact CG2-CB 4.12Å; I206-M290 HydrophobicContact CG2-CG 3.75Å; I206-M290 HydrophobicContact CG2-SD 4.48Å; V209-M290 HydrophobicContact CB-SD 4.28Å; V209-M290 HydrophobicContact CG1-CE 3.98Å; V209-M290 HydrophobicContact CG1-SD 3.83Å; L286-M290 HydrophobicContact CD1-CE 3.76Å; L286-M290 HydrophobicContact CD2-CE 3.94Å; L286-M290 HydrophobicContact CG-CE 3.8Å; L286-M290 HydrophobicContact CG-SD 4.35Å; L286-M290 WeakPolarHBondContact O-CG 3.37Å; L286-M290 PolarHBondContact O-N 3.21Å; L287-M290 PolarHBondContact O-N 3.38Å; M290-V292 VanDerWaalsContact C-N 3.3Å; M290-V292 PolarHBondContact O-N 2.91Å; M290-R298 WeakPolarHBondContact O-CD 3.39Å; M290-A304 HydrophobicContact CE-CB 4.12Å
291L97Very high95.3Very high0 Ų038.9 Ų38.90%020%0.198CC..SBendtrans-94.853.1-177-63.2176.1000111.6W207 L222 F223 R269 F272 L287W207-L291 HydrophobicContact CD2-CD2 4.09Å; W207-L291 HydrophobicContact CE3-CD2 4.09Å; W207-L291 HydrophobicContact CH2-CD2 4.39Å; W207-L291 HydrophobicContact CZ2-CD2 4.38Å; W207-L291 HydrophobicContact CZ3-CB 4.43Å; W207-L291 HydrophobicContact CZ3-CD2 4.25Å; L222-L291 HydrophobicContact CD2-CD1 3.55Å; F223-L291 HydrophobicContact CE2-CD2 4.26Å; R269-L291 PolarHBondContact NH1-O 3.23Å; F272-L291 HydrophobicContact CE2-CB 4.12Å; F272-L291 HydrophobicContact CE2-CD1 3.82Å; F272-L291 HydrophobicContact CZ-CB 4.07Å; F272-L291 HydrophobicContact CZ-CD1 4.03Å; L287-L291 HydrophobicContact CD2-CD1 4.27Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 PolarHBondContact O-N 3.17Å
292V93Very high95.2Very high23 Ų2334.3 Ų34.314%0.13918%0.177CC..  trans-97.8136.6172.2-179.40000109.2W207 E288 K289 M290 D294 E297 R298W207-V292 WeakPolarHBondContact CZ3-O 3.32Å; E288-V292 VanDerWaalsContact O-CG2 3.28Å; E288-V292 WeakPolarHBondContact O-CG2 3.46Å; K289-V292 WeakPolarHBondContact O-CG2 3.32Å; M290-V292 VanDerWaalsContact C-N 3.3Å; M290-V292 PolarHBondContact O-N 2.91Å; V292-D294 HydrophobicContact CG1-CB 4.41Å; V292-E297 HydrophobicContact CG1-CB 3.92Å; V292-R298 HydrophobicContact CB-CG 4.03Å; V292-R298 PolarHBondContact O-NE 2.75Å; V292-R298 PolarHBondContact O-NH2 3.49Å
293L89.3Confident95.2Very high17 Ų1736.2 Ų36.29%0.08919%0.185CC..SBendtrans-66.5-42.6-178.6-69178.5000111.8P191 W207 I235 M236 C239 G240 P242 G295 R298P191-L293 HydrophobicContact CG-CD2 4.16Å; W207-L293 HydrophobicContact CH2-CD2 4.21Å; W207-L293 HydrophobicContact CZ3-CD2 4.43Å; I235-L293 HydrophobicContact CG2-CD2 3.65Å; M236-L293 HydrophobicContact CE-CD1 4.24Å; M236-L293 HydrophobicContact CE-CD2 4.42Å; M236-L293 HydrophobicContact SD-CD1 3.87Å; M236-L293 HydrophobicContact SD-CD2 4.45Å; C239-L293 HydrophobicContact CB-CD1 4.38Å; C239-L293 HydrophobicContact CB-CD2 3.92Å; C239-L293 HydrophobicContact CB-CG 3.98Å; G240-L293 WeakPolarHBondContact O-CD1 3.23Å; P242-L293 HydrophobicContact CB-CD1 4.02Å; P242-L293 HydrophobicContact CG-CD1 4.26Å; L293-G295 PolarHBondContact O-N 2.97Å; L293-R298 PolarHBondContact O-NH2 3.4Å; L293-R298 VanDerWaalsContact O-NH2 3.11Å
294D86.9Confident95.2Very high10 Ų1036.3 Ų36.35%0.05319%0.185CC..SBendtrans-71.3115.5174.7-160.7-31.4000110.6F246 K249 V292 D296 E297F246-D294 HydrophobicContact CD2-CB 3.8Å; F246-D294 HydrophobicContact CE2-CB 4.06Å; K249-D294 WeakPolarHBondContact CE-OD2 3.45Å; K249-D294 IonicContact NZ-OD1 2.82Å; K249-D294 PolarHBondContact NZ-OD1 3.41Å; K249-D294 IonicContact NZ-OD2 3.42Å; K249-D294 PolarHBondContact NZ-OD2 3.38Å; V292-D294 HydrophobicContact CG1-CB 4.41Å; D294-D296 PolarHBondContact O-N 2.91Å; D294-D296 WeakPolarHBondContact OD1-CB 3.42Å; D294-D296 PolarHBondContact OD1-N 3.27Å; D294-E297 HydrophobicContact CB-CB 4.21Å; D294-E297 HydrophobicContact CB-CG 3.97Å; D294-E297 PolarHBondContact O-N 2.88Å
295G88.6Confident95.2Very high7 Ų735.5 Ų35.57%0.07218%0.181CC..THydrogen-bonded Turntrans-67.4-23179.800000113.2T203 L293 E297T203-G295 WeakPolarHBondContact CB-O 3.4Å; T203-G295 PolarHBondContact OG1-O 2.84Å; L293-G295 PolarHBondContact O-N 2.97Å; G295-E297 VanDerWaalsContact C-N 3.34Å
296D87.5Confident95.1Very high105 Ų10538.1 Ų38.156%0.56119%0.192SC*.THydrogen-bonded Turntrans-75.6-26.1177.7-59.9-32000111.9K249 D294K249-D296 IonicContact NZ-OD2 3.67Å; K249-D296 PolarHBondContact NZ-OD2 2.97Å; D294-D296 PolarHBondContact O-N 2.91Å; D294-D296 WeakPolarHBondContact OD1-CB 3.42Å; D294-D296 PolarHBondContact OD1-N 3.27Å
297E91.1Very high95.1Very high134 Ų13438.7 Ų38.763%0.62619%0.194SC*.THydrogen-bonded Turntrans-88.1-11.5179.4-65.2-175.4175.800112.8V292 D294 G295V292-E297 HydrophobicContact CG1-CB 3.92Å; D294-E297 HydrophobicContact CB-CB 4.21Å; D294-E297 HydrophobicContact CB-CG 3.97Å; D294-E297 PolarHBondContact O-N 2.88Å; G295-E297 VanDerWaalsContact C-N 3.34Å
298R95.4Very high95.1Very high9 Ų942.1 Ų42.13%0.03422%0.216CC..SBendtrans-71.7142.1176-69.2-178.4-149.5139.811.4110.3E192 T203 M290 V292 L293E192-R298 IonicContact OE1-CZ 2.95Å; E192-R298 IonicContact OE1-NH1 3.45Å; E192-R298 PolarHBondContact OE1-NH1 3.07Å; E192-R298 IonicContact OE1-NH2 2.65Å; E192-R298 PolarHBondContact OE1-NH2 2.84Å; E192-R298 IonicContact OE2-CZ 3.31Å; E192-R298 IonicContact OE2-NH1 3.42Å; E192-R298 IonicContact OE2-NH2 2.68Å; E192-R298 PolarHBondContact OE2-NH2 3.01Å; T203-R298 HydrophobicContact CG2-CB 4.26Å; T203-R298 PolarHBondContact O-NH1 3.22Å; M290-R298 WeakPolarHBondContact O-CD 3.39Å; V292-R298 HydrophobicContact CB-CG 4.03Å; V292-R298 PolarHBondContact O-NE 2.75Å; V292-R298 PolarHBondContact O-NH2 3.49Å; L293-R298 PolarHBondContact O-NH2 3.4Å; L293-R298 VanDerWaalsContact O-NH2 3.11Å
299P97.7Very high95.2Very high20 Ų2039.1 Ų39.113%0.1320%0.202CC..PPolyproline II helixtrans-64150.9172.429.2-34.3000110.3I206 K289 L303 A304I206-P299 WeakPolarHBondContact CG1-O 3.38Å; I206-P299 HydrophobicContact CG2-CG 4.37Å; K289-P299 HydrophobicContact CB-CG 4.37Å; K289-P299 WeakPolarHBondContact O-CD 2.88Å; P299-L303 HydrophobicContact CB-CB 3.95Å; P299-A304 HydrophobicContact CB-CB 4.35Å; P299-A304 HydrophobicContact CG-CB 4.3Å
300T97.8Very high95.2Very high35 Ų3535.3 Ų35.322%0.21519%0.185CC..PPolyproline II helixtrans-70.8169.1164.765.50000110.2E302 L303 A304T300-E302 PolarHBondContact O-N 3.38Å; T300-E302 PolarHBondContact OG1-N 2.9Å; T300-L303 PolarHBondContact O-N 2.88Å; T300-L303 WeakPolarHBondContact OG1-CG 3.47Å; T300-L303 PolarHBondContact OG1-N 2.77Å; T300-L303 VanDerWaalsContact OG1-N 3.16Å; T300-A304 VanDerWaalsContact O-CB 3.3Å; T300-A304 WeakPolarHBondContact O-CB 3.3Å; T300-A304 PolarHBondContact O-N 3.08Å
301A97.6Very high95Very high1 Ų139.3 Ų39.31%0.00821%0.207CC..Hα-helixtrans-57.7-37.7173.100000111.9L138 R139 I206 A304 L305L138-A301 HydrophobicContact CB-CB 4.1Å; R139-A301 HydrophobicContact CB-CB 4.01Å; I206-A301 HydrophobicContact CD1-CB 3.99Å; A301-A304 PolarHBondContact O-N 3.2Å; A301-L305 WeakPolarHBondContact O-CD1 3.38Å; A301-L305 VanDerWaalsContact O-CG 3.27Å; A301-L305 WeakPolarHBondContact O-CG 3.45Å; A301-L305 PolarHBondContact O-N 3Å
302E96Very high94.8Very high76 Ų7645.8 Ų45.836%0.35524%0.24SC..Hα-helixtrans-64-49.5177.2-169.6160.5-132.300111.7R139 K143 T300 A304 L305 E306R139-E302 HydrophobicContact CG-CB 4.1Å; K143-E302 WeakPolarHBondContact CE-OE1 3.47Å; K143-E302 IonicContact NZ-OE1 2.66Å; K143-E302 PolarHBondContact NZ-OE1 3.25Å; K143-E302 IonicContact NZ-OE2 2.76Å; T300-E302 PolarHBondContact O-N 3.38Å; T300-E302 PolarHBondContact OG1-N 2.9Å; E302-A304 VanDerWaalsContact C-N 3.35Å; E302-A304 PolarHBondContact O-N 3.37Å; E302-L305 WeakPolarHBondContact O-CB 3.35Å; E302-L305 PolarHBondContact O-N 3.46Å; E302-E306 PolarHBondContact O-N 2.93Å
303L97.4Very high94.8Very high97 Ų9746 Ų4651%0.50824%0.24SC..Hα-helixtrans-66-36.5177.1-67.4174.5000112.5P299 T300 L305 E306P299-L303 HydrophobicContact CB-CB 3.95Å; T300-L303 PolarHBondContact O-N 2.88Å; T300-L303 WeakPolarHBondContact OG1-CG 3.47Å; T300-L303 PolarHBondContact OG1-N 2.77Å; T300-L303 VanDerWaalsContact OG1-N 3.16Å; L303-L305 VanDerWaalsContact C-N 3.29Å; L303-L305 PolarHBondContact O-N 3.33Å; L303-E306 PolarHBondContact O-N 3.15Å
304A98.1Very high94.9Very high2 Ų250.4 Ų50.42%0.01726%0.256CS..Hα-helixtrans-65.8-32.8176.800000112.1L135 M290 P299 T300 A301 E302 E306 H307 F310L135-A304 HydrophobicContact CD1-CB 3.88Å; L135-A304 HydrophobicContact CD2-CB 4.06Å; M290-A304 HydrophobicContact CE-CB 4.12Å; P299-A304 HydrophobicContact CB-CB 4.35Å; P299-A304 HydrophobicContact CG-CB 4.3Å; T300-A304 VanDerWaalsContact O-CB 3.3Å; T300-A304 WeakPolarHBondContact O-CB 3.3Å; T300-A304 PolarHBondContact O-N 3.08Å; A301-A304 PolarHBondContact O-N 3.2Å; E302-A304 VanDerWaalsContact C-N 3.35Å; E302-A304 PolarHBondContact O-N 3.37Å; A304-E306 VanDerWaalsContact C-N 3.28Å; A304-E306 PolarHBondContact O-N 3.44Å; A304-H307 WeakPolarHBondContact O-CB 3.44Å; A304-H307 PolarHBondContact O-N 3.26Å; A304-F310 WeakPolarHBondContact O-CD2 3.45Å; A304-F310 VanDerWaalsContact O-CE2 3.31Å; A304-F310 WeakPolarHBondContact O-CE2 3.45Å
305L97.6Very high95.1Very high4 Ų452.6 Ų52.62%0.02127%0.268CS..Hα-helixtrans-68.2-26.7175.5-77.6160.1000112.7Y132 L135 R139 A301 E302 L303 H307 R314 F319Y132-L305 HydrophobicContact CD2-CD2 3.73Å; Y132-L305 HydrophobicContact CE2-CD2 3.75Å; L135-L305 HydrophobicContact CB-CD1 4.31Å; L135-L305 HydrophobicContact CB-CD2 3.69Å; L135-L305 HydrophobicContact CB-CG 3.77Å; R139-L305 HydrophobicContact CB-CD1 4.01Å; R139-L305 HydrophobicContact CG-CD1 4.32Å; A301-L305 WeakPolarHBondContact O-CD1 3.38Å; A301-L305 VanDerWaalsContact O-CG 3.27Å; A301-L305 WeakPolarHBondContact O-CG 3.45Å; A301-L305 PolarHBondContact O-N 3Å; E302-L305 WeakPolarHBondContact O-CB 3.35Å; E302-L305 PolarHBondContact O-N 3.46Å; L303-L305 VanDerWaalsContact C-N 3.29Å; L303-L305 PolarHBondContact O-N 3.33Å; L305-H307 PolarHBondContact O-N 2.73Å; L305-R314 VanDerWaalsContact O-CD 3.29Å; L305-R314 WeakPolarHBondContact O-CD 3.41Å; L305-F319 HydrophobicContact CD1-CD1 4.42Å; L305-F319 HydrophobicContact CD1-CE1 3.67Å; L305-F319 HydrophobicContact CD1-CZ 4.39Å; L305-F319 HydrophobicContact CD2-CE1 4.2Å; L305-F319 HydrophobicContact CD2-CZ 4.46Å; L305-F319 HydrophobicContact CG-CE1 4.38Å
306E97.2Very high95Very high115 Ų11557.5 Ų57.554%0.53730%0.298SS..THydrogen-bonded Turntrans-75.9-6.2176.6-65.9177.5-178.600113.6E302 L303 A304E302-E306 PolarHBondContact O-N 2.93Å; L303-E306 PolarHBondContact O-N 3.15Å; A304-E306 VanDerWaalsContact C-N 3.28Å; A304-E306 PolarHBondContact O-N 3.44Å
307H98.4Very high95Very high13 Ų1358.8 Ų58.86%0.0630%0.301CS..SBendtrans-64142.8-177.3-162-95.6000112.5T282 D285 L286 K289 A304 L305 Y309 F310T282-H307 PolarHBondContact O-CE1 3.08Å; T282-H307 VanDerWaalsContact O-CE1 3.3Å; D285-H307 IonicContact OD2-CE1 3.62Å; D285-H307 PolarHBondContact OD2-CE1 2.89Å; D285-H307 VanDerWaalsContact OD2-CE1 3.31Å; D285-H307 IonicContact OD2-NE2 3.98Å; D285-H307 PolarHBondContact OD2-NE2 2.81Å; L286-H307 HydrophobicContact CD1-CB 3.95Å; K289-H307 PolarHBondContact NZ-NE2 3.33Å; K289-H307 VanDerWaalsContact NZ-NE2 3.12Å; A304-H307 WeakPolarHBondContact O-CB 3.44Å; A304-H307 PolarHBondContact O-N 3.26Å; L305-H307 PolarHBondContact O-N 2.73Å; H307-Y309 VanDerWaalsContact ND1-CB 3.34Å; H307-Y309 WeakPolarHBondContact ND1-CB 3.13Å; H307-Y309 PolarHBondContact ND1-N 3.38Å; H307-Y309 PolarHBondContact O-N 3.29Å; H307-F310 HydrophobicContact CB-CD2 4.29Å; H307-F310 PolarHBondContact O-N 3.22Å
308P98Very high94.8Very high71 Ų7153.3 Ų53.346%0.46128%0.276SS..G310 helixtrans-54.5-25.2177.9-29.136000114.8T282 F310 D311T282-P308 HydrophobicContact CG2-CB 4.33Å; P308-F310 PolarHBondContact O-N 2.96Å; P308-D311 WeakPolarHBondContact CA-OD1 3.28Å; P308-D311 PolarHBondContact O-N 3.48Å
309Y98.2Very high94.6Very high2 Ų255 Ų551%0.00828%0.284CS..G310 helixtrans-58.6-15.4174.4-169.9-116.3000113.2E124 Q128 M213 L286 H307E124-Y309 HydrophobicContact CG-CE2 4.35Å; E124-Y309 WeakPolarHBondContact OE1-CE2 3.36Å; Q128-Y309 HydrophobicContact CB-CE1 3.9Å; Q128-Y309 HydrophobicContact CB-CE2 4.47Å; Q128-Y309 VanDerWaalsContact CD-O 3.31Å; Q128-Y309 HydrophobicContact CG-CD1 4.11Å; Q128-Y309 HydrophobicContact CG-CE1 3.8Å; Q128-Y309 HydrophobicContact CG-CE2 4.31Å; Q128-Y309 VanDerWaalsContact CG-O 3.23Å; Q128-Y309 WeakPolarHBondContact CG-O 3.4Å; Q128-Y309 PolarHBondContact NE2-O 2.91Å; M213-Y309 HydrophobicContact CE-CD1 4.23Å; M213-Y309 HydrophobicContact CE-CE1 3.59Å; L286-Y309 HydrophobicContact CD2-CD1 3.46Å; L286-Y309 VanDerWaalsContact CD2-CD1 3.46Å; L286-Y309 HydrophobicContact CD2-CE1 4.21Å; L286-Y309 HydrophobicContact CD2-CG 4.1Å; H307-Y309 VanDerWaalsContact ND1-CB 3.34Å; H307-Y309 WeakPolarHBondContact ND1-CB 3.13Å; H307-Y309 PolarHBondContact ND1-N 3.38Å; H307-Y309 PolarHBondContact O-N 3.29Å
310F97.5Very high94.3Very high0 Ų055.6 Ų55.60%029%0.288CS..G310 helixtrans-115.97.9179.3-55.9-59.4000114.3Q128 V131 Y132 L135 L286 A304 H307 P308 I312 L313 R314Q128-F310 HydrophobicContact CG-CD1 4.14Å; Q128-F310 HydrophobicContact CG-CE1 4.39Å; V131-F310 HydrophobicContact CB-CE1 4.28Å; V131-F310 HydrophobicContact CB-CZ 4.27Å; V131-F310 HydrophobicContact CG1-CE1 4.2Å; V131-F310 HydrophobicContact CG1-CZ 3.69Å; Y132-F310 HydrophobicContact CD2-CB 3.9Å; Y132-F310 AromaticContact CD2-CD1 3.95Å; Y132-F310 HydrophobicContact CD2-CD1 3.95Å; Y132-F310 AromaticContact CD2-CG 3.94Å; Y132-F310 HydrophobicContact CD2-CG 3.94Å; Y132-F310 HydrophobicContact CE2-CB 4.43Å; Y132-F310 HydrophobicContact CG-CD1 4.31Å; L135-F310 HydrophobicContact CD1-CD2 4.44Å; L135-F310 HydrophobicContact CD1-CE2 3.45Å; L135-F310 VanDerWaalsContact CD1-CE2 3.45Å; L135-F310 HydrophobicContact CD1-CZ 3.63Å; L286-F310 HydrophobicContact CD1-CE2 4.49Å; L286-F310 HydrophobicContact CD2-CE1 4.44Å; L286-F310 HydrophobicContact CD2-CE2 3.56Å; L286-F310 HydrophobicContact CD2-CZ 3.42Å; L286-F310 VanDerWaalsContact CD2-CZ 3.42Å; A304-F310 WeakPolarHBondContact O-CD2 3.45Å; A304-F310 VanDerWaalsContact O-CE2 3.31Å; A304-F310 WeakPolarHBondContact O-CE2 3.45Å; H307-F310 HydrophobicContact CB-CD2 4.29Å; H307-F310 PolarHBondContact O-N 3.22Å; P308-F310 PolarHBondContact O-N 2.96Å; F310-I312 VanDerWaalsContact C-N 3.29Å; F310-I312 PolarHBondContact O-N 2.9Å; F310-I312 VanDerWaalsContact O-N 3.17Å; F310-L313 CarbonylContact O-C 3.56Å; F310-L313 WeakPolarHBondContact O-CA 3.44Å; F310-L313 PolarHBondContact O-N 2.9Å; F310-R314 HydrophobicContact CB-CG 4.21Å; F310-R314 WeakPolarHBondContact O-CG 3.33Å; F310-R314 PolarHBondContact O-N 3.3Å
311D94.8Very high94Very high85 Ų8559.6 Ų59.646%0.45530%0.304SS..THydrogen-bonded Turntrans-51.9-43.8-173.3-77.4-5.2000114P308 L313 R314P308-D311 WeakPolarHBondContact CA-OD1 3.28Å; P308-D311 PolarHBondContact O-N 3.48Å; D311-L313 PolarHBondContact O-N 3.48Å; D311-R314 IonicContact OD1-CZ 3.4Å; D311-R314 IonicContact OD1-NE 3.54Å; D311-R314 IonicContact OD1-NH2 2.63Å; D311-R314 PolarHBondContact OD1-NH2 3.02Å
312I93Very high93.7Very high136 Ų13660.3 Ų60.370%0.69731%0.308SS*.THydrogen-bonded Turntrans-74.5-15.6-179.369.4174.5000113.3F310F310-I312 VanDerWaalsContact C-N 3.29Å; F310-I312 PolarHBondContact O-N 2.9Å; F310-I312 VanDerWaalsContact O-N 3.17Å
313L93Very high93.5Very high27 Ų2761.1 Ų61.114%0.14132%0.318CS..THydrogen-bonded Turntrans-104.2-22.9-176.5-63.4-176.1000112.9Q128 F129 Y132 F310 D311 D315 R360Q128-L313 HydrophobicContact CB-CD1 4.41Å; Q128-L313 HydrophobicContact CG-CD1 3.77Å; F129-L313 HydrophobicContact CB-CD1 4.31Å; F129-L313 HydrophobicContact CD2-CD1 4.16Å; F129-L313 HydrophobicContact CD2-CD2 4.17Å; Y132-L313 HydrophobicContact CD1-CB 4.3Å; Y132-L313 HydrophobicContact CD1-CD1 4.49Å; Y132-L313 HydrophobicContact CD2-CB 4.16Å; Y132-L313 HydrophobicContact CE1-CB 4.5Å; Y132-L313 HydrophobicContact CE2-CB 4.35Å; Y132-L313 HydrophobicContact CG-CB 4.13Å; Y132-L313 HydrophobicContact CG-CD1 4.1Å; Y132-L313 PolarHBondContact OH-O 3.01Å; F310-L313 CarbonylContact O-C 3.56Å; F310-L313 WeakPolarHBondContact O-CA 3.44Å; F310-L313 PolarHBondContact O-N 2.9Å; D311-L313 PolarHBondContact O-N 3.48Å; L313-D315 PolarHBondContact O-N 2.84Å; L313-R360 PolarHBondContact O-NH1 3.33Å; L313-R360 PolarHBondContact O-NH2 3.16Å
314R91.6Very high93.1Very high109 Ų10961.8 Ų61.841%0.41133%0.329SS..  trans-60.8128.3-172.9-80.4-170.6-74.4175-0.6112.2Y132 L305 F310 D311Y132-R314 HydrophobicContact CE2-CG 4.2Å; L305-R314 VanDerWaalsContact O-CD 3.29Å; L305-R314 WeakPolarHBondContact O-CD 3.41Å; F310-R314 HydrophobicContact CB-CG 4.21Å; F310-R314 WeakPolarHBondContact O-CG 3.33Å; F310-R314 PolarHBondContact O-N 3.3Å; D311-R314 IonicContact OD1-CZ 3.4Å; D311-R314 IonicContact OD1-NE 3.54Å; D311-R314 IonicContact OD1-NH2 2.63Å; D311-R314 PolarHBondContact OD1-NH2 3.02Å
315D90.4Very high92.7Very high56 Ų5662.7 Ų62.730%0.29933%0.332SS..  trans-135.2123.6172.4-173.3-18.6000109.9Y132 L313 E317 D318 F319Y132-D315 PolarHBondContact OH-N 2.89Å; L313-D315 PolarHBondContact O-N 2.84Å; D315-E317 PolarHBondContact O-N 2.94Å; D315-E317 VanDerWaalsContact O-N 3.14Å; D315-E317 PolarHBondContact OD1-N 3.1Å; D315-D318 WeakPolarHBondContact O-CB 3.37Å; D315-D318 PolarHBondContact O-N 3.33Å; D315-D318 VanDerWaalsContact O-N 3.08Å; D315-F319 WeakPolarHBondContact O-CD2 3.4Å; D315-F319 WeakPolarHBondContact O-CE2 3.13Å
316P86.8Confident92.2Very high110 Ų11066.3 Ų66.371%0.71435%0.351SS*.G310 helixtrans-53.5-26.9173.9-26.835.9000115.2D318 F319P316-D318 VanDerWaalsContact C-N 3.25Å; P316-D318 PolarHBondContact O-N 3.15Å; P316-F319 WeakPolarHBondContact O-CB 3.33Å; P316-F319 PolarHBondContact O-N 3.19Å
317E86.6Confident91.5Very high133 Ų13363.5 Ų63.562%0.62134%0.34SS*.G310 helixtrans-69.8-19.2178.2-68.5-159.5176.700113.5D315 F319 K359D315-E317 PolarHBondContact O-N 2.94Å; D315-E317 VanDerWaalsContact O-N 3.14Å; D315-E317 PolarHBondContact OD1-N 3.1Å; E317-F319 PolarHBondContact O-N 2.94Å; E317-K359 IonicContact OE2-NZ 3.18Å; E317-K359 PolarHBondContact OE2-NZ 3.18Å
318D88.2Confident90.7Very high19 Ų1966.3 Ų66.310%0.10236%0.361CS..G310 helixtrans-78.61.7178.7-66.6-26.1000113.6H82 Y132 D315 P316 P320 R360H82-D318 PolarHBondContact NE2-O 3.43Å; Y132-D318 VanDerWaalsContact CE1-OD2 3.31Å; Y132-D318 WeakPolarHBondContact CE1-OD2 3.04Å; Y132-D318 PolarHBondContact OH-OD2 2.93Å; D315-D318 WeakPolarHBondContact O-CB 3.37Å; D315-D318 PolarHBondContact O-N 3.33Å; D315-D318 VanDerWaalsContact O-N 3.08Å; P316-D318 VanDerWaalsContact C-N 3.25Å; P316-D318 PolarHBondContact O-N 3.15Å; D318-P320 WeakPolarHBondContact O-CD 3.48Å; D318-R360 IonicContact OD1-NE 3.67Å; D318-R360 IonicContact OD1-NH2 3.34Å; D318-R360 IonicContact OD2-CZ 3.21Å; D318-R360 IonicContact OD2-NE 2.68Å; D318-R360 PolarHBondContact OD2-NE 3.43Å; D318-R360 IonicContact OD2-NH2 2.79Å; D318-R360 PolarHBondContact OD2-NH2 3.07Å
319F90.3Very high89.9Confident44 Ų4465.8 Ų65.819%0.19335%0.352CS..  trans-116.750.4-167.5-67.5-32.9000112.8R139 L305 D315 P316 E317R139-F319 VanDerWaalsContact NH1-CD1 3.27Å; R139-F319 VanDerWaalsContact NH2-CA 3.28Å; R139-F319 PolarHBondContact NH2-O 3.09Å; L305-F319 HydrophobicContact CD1-CD1 4.42Å; L305-F319 HydrophobicContact CD1-CE1 3.67Å; L305-F319 HydrophobicContact CD1-CZ 4.39Å; L305-F319 HydrophobicContact CD2-CE1 4.2Å; L305-F319 HydrophobicContact CD2-CZ 4.46Å; L305-F319 HydrophobicContact CG-CE1 4.38Å; D315-F319 WeakPolarHBondContact O-CD2 3.4Å; D315-F319 WeakPolarHBondContact O-CE2 3.13Å; P316-F319 WeakPolarHBondContact O-CB 3.33Å; P316-F319 PolarHBondContact O-N 3.19Å; E317-F319 PolarHBondContact O-N 2.94Å
320P91.5Very high88.8Confident33 Ų3366 Ų6621%0.21435%0.353CS..PPolyproline II helixtrans-68.3145.717732.7-35.4000110.6Y140 D318Y140-P320 HydrophobicContact CD2-CG 4.1Å; Y140-P320 WeakPolarHBondContact CD2-O 3.44Å; Y140-P320 HydrophobicContact CE2-CG 4.28Å; D318-P320 WeakPolarHBondContact O-CD 3.48Å
321E91.8Very high87.7Confident118 Ų11870.9 Ų70.955%0.55138%0.38SS*.PPolyproline II helixtrans-84.1126.6175.5-67.6-60.514400110.5R139 K143R139-E321 IonicContact NH2-OE1 3.36Å; R139-E321 PolarHBondContact NH2-OE1 2.92Å; K143-E321 WeakPolarHBondContact CD-OE2 3.44Å; K143-E321 IonicContact NZ-OE1 3.65Å; K143-E321 PolarHBondContact NZ-OE1 3Å; K143-E321 IonicContact NZ-OE2 3.65Å; K143-E321 PolarHBondContact NZ-OE2 2.99Å
322P92Very high87.1Confident16 Ų1668 Ų6810%0.10437%0.367CS..PPolyproline II helixtrans-74.8153.6174.633.1-36.6000111Y140 K143 A144Y140-P322 HydrophobicContact CD1-CB 4.34Å; Y140-P322 HydrophobicContact CD2-CB 4.06Å; Y140-P322 HydrophobicContact CD2-CG 4.44Å; Y140-P322 HydrophobicContact CE1-CB 3.93Å; Y140-P322 HydrophobicContact CE2-CB 3.66Å; Y140-P322 HydrophobicContact CE2-CG 4.46Å; Y140-P322 HydrophobicContact CG-CB 4.4Å; Y140-P322 WeakPolarHBondContact O-CG 3.33Å; K143-P322 VanDerWaalsContact C-CG 3.49Å; K143-P322 HydrophobicContact CB-CG 3.49Å; K143-P322 VanDerWaalsContact CB-CG 3.49Å; A144-P322 HydrophobicContact CB-CB 3.86Å; A144-P322 HydrophobicContact CB-CG 4.02Å
323T91.1Very high86.8Confident93 Ų9367.9 Ų67.957%0.57137%0.373SS*.PPolyproline II helixtrans-72145.9158.451.10000109.3H79 Y325H79-T323 PolarHBondContact CE1-O 2.85Å; H79-T323 PolarHBondContact CE1-OG1 2.86Å; H79-T323 VanDerWaalsContact CE1-OG1 3.28Å; H79-T323 PolarHBondContact NE2-O 3.05Å; T323-Y325 PolarHBondContact O-N 3.4Å
324P88.6Confident86.6Confident111 Ų11168.3 Ų68.372%0.72138%0.375SS*.PPolyproline II helixtrans-57138.7173.7-25.634.9000112.3H79H79-P324 PolarHBondContact CE1-O 3.4Å
325Y89.3Confident86.8Confident21 Ų2165.4 Ų65.48%0.08237%0.371CS..PPolyproline II helixtrans-77.8126.8173.7174.6-105.5000110.5R75 L76 H79 A144 I146 T323 D327 D330R75-Y325 HydrophobicContact CB-CE2 4.19Å; L76-Y325 HydrophobicContact CD2-CD1 4.3Å; L76-Y325 HydrophobicContact CD2-CD2 3.87Å; L76-Y325 HydrophobicContact CD2-CE1 4.07Å; L76-Y325 HydrophobicContact CD2-CE2 3.6Å; L76-Y325 HydrophobicContact CD2-CG 4.22Å; L76-Y325 HydrophobicContact CG-CE2 4.17Å; H79-Y325 HydrophobicContact CB-CD2 4.17Å; H79-Y325 AromaticContact CG-CD2 3.91Å; A144-Y325 WeakPolarHBondContact O-CB 3.44Å; A144-Y325 PolarHBondContact O-N 2.88Å; A144-Y325 VanDerWaalsContact O-N 3.09Å; I146-Y325 HydrophobicContact CD1-CD1 4.02Å; I146-Y325 HydrophobicContact CD1-CD2 4.25Å; I146-Y325 HydrophobicContact CD1-CG 3.7Å; I146-Y325 HydrophobicContact CG1-CD1 4.09Å; I146-Y325 HydrophobicContact CG1-CG 4.22Å; T323-Y325 PolarHBondContact O-N 3.4Å; Y325-D327 HydrophobicContact CD1-CB 3.77Å; Y325-D327 HydrophobicContact CE1-CB 3.66Å; Y325-D327 PolarHBondContact O-N 2.74Å; Y325-D330 PolarHBondContact OH-OD1 3.42Å; Y325-D330 VanDerWaalsContact OH-OD1 3.08Å
326D87.6Confident87Confident80 Ų8065.4 Ų65.443%0.42837%0.371SS..  trans-78.1103.7170.816435.4000109.7R75 S328R75-D326 PolarHBondContact NH2-O 2.78Å; R75-D326 IonicContact NH2-OD2 3.85Å; R75-D326 PolarHBondContact NH2-OD2 3.36Å; D326-S328 WeakPolarHBondContact OD1-CB 3.39Å; D326-S328 PolarHBondContact OD1-N 2.83Å; D326-S328 VanDerWaalsContact OD1-N 3.16Å; D326-S328 PolarHBondContact OD1-OG 2.96Å
327D81.8Confident87.4Confident57 Ų5763.4 Ų63.431%0.30535%0.354SS..  trans-98.713.3-179.871-16.7000113.3S174 Y325 H329 D330S174-D327 WeakPolarHBondContact CB-OD2 3.35Å; S174-D327 PolarHBondContact OG-OD2 2.9Å; Y325-D327 HydrophobicContact CD1-CB 3.77Å; Y325-D327 HydrophobicContact CE1-CB 3.66Å; Y325-D327 PolarHBondContact O-N 2.74Å; D327-H329 PolarHBondContact O-N 2.96Å; D327-D330 HydrophobicContact CB-CB 4.16Å; D327-D330 VanDerWaalsContact O-CB 3.32Å; D327-D330 WeakPolarHBondContact O-CB 3.14Å; D327-D330 PolarHBondContact O-N 3.42Å
328S83Confident87.8Confident71 Ų7160.9 Ų60.950%0.49734%0.343SS..THydrogen-bonded Turntrans-51.9-30.7-177.254.40000114.4D326D326-S328 WeakPolarHBondContact OD1-CB 3.39Å; D326-S328 PolarHBondContact OD1-N 2.83Å; D326-S328 VanDerWaalsContact OD1-N 3.16Å; D326-S328 PolarHBondContact OD1-OG 2.96Å
329H80.3Confident88.1Confident60 Ų6060.2 Ų60.228%0.27834%0.339SS..THydrogen-bonded Turntrans-92-12.2177.6-67.9-70.8000114.2Y71 D327 N331 A332 W339Y71-H329 HydrophobicContact CE1-CB 3.93Å; D327-H329 PolarHBondContact O-N 2.96Å; H329-N331 PolarHBondContact O-N 3.31Å; H329-A332 WeakPolarHBondContact O-CB 3.44Å; H329-A332 PolarHBondContact O-N 3.34Å; H329-A332 VanDerWaalsContact O-N 3.08Å; H329-W339 HydrophobicContact CB-CH2 4.2Å; H329-W339 HydrophobicContact CB-CZ3 4.31Å; H329-W339 WeakPolarHBondContact O-CH2 3.5Å
330D75.3Confident88.4Confident7 Ų760.1 Ų60.14%0.03734%0.337CS..THydrogen-bonded Turntrans-62.9-29.9-174.8-91.638.8000112.9K68 R72 Y325 D327K68-D330 WeakPolarHBondContact CE-O 3.13Å; K68-D330 PolarHBondContact NZ-O 3.27Å; R72-D330 WeakPolarHBondContact CD-OD1 3.2Å; R72-D330 WeakPolarHBondContact CD-OD2 3.35Å; R72-D330 IonicContact CZ-OD2 3.7Å; R72-D330 IonicContact NE-OD2 3.12Å; R72-D330 IonicContact NH1-OD2 2.67Å; R72-D330 PolarHBondContact NH1-OD2 3.25Å; Y325-D330 PolarHBondContact OH-OD1 3.42Å; Y325-D330 VanDerWaalsContact OH-OD1 3.08Å; D327-D330 HydrophobicContact CB-CB 4.16Å; D327-D330 VanDerWaalsContact O-CB 3.32Å; D327-D330 WeakPolarHBondContact O-CB 3.14Å; D327-D330 PolarHBondContact O-N 3.42Å
331N74.5Confident88.6Confident103 Ų10364.6 Ų64.655%0.55135%0.35SS*.THydrogen-bonded Turntrans-103.50.1176.7-68.5-31.8000113.6H329H329-N331 PolarHBondContact O-N 3.31Å
332A82.3Confident88.8Confident24 Ų2460.5 Ų60.520%0.19833%0.331CS..  trans-67.8142178.500000111.6K68 H329 M334 W339K68-A332 PolarHBondContact NZ-O 3.08Å; H329-A332 WeakPolarHBondContact O-CB 3.44Å; H329-A332 PolarHBondContact O-N 3.34Å; H329-A332 VanDerWaalsContact O-N 3.08Å; A332-M334 HydrophobicContact CB-CG 3.9Å; A332-M334 HydrophobicContact CB-SD 3.93Å; A332-W339 HydrophobicContact CB-CH2 4.41Å; A332-W339 HydrophobicContact CB-CZ2 4.48Å
333T86.3Confident88.9Confident133 Ų13359.8 Ų59.882%0.81633%0.327SS*.  trans-103.7111.3165.4-57.80000106.5
334M90.5Very high89.2Confident36 Ų3657.1 Ų57.118%0.17731%0.306CS..  trans-132.8150.6-176-56.1174.868.400108.2A332 E338 W339 L342A332-M334 HydrophobicContact CB-CG 3.9Å; A332-M334 HydrophobicContact CB-SD 3.93Å; M334-E338 HydrophobicContact CB-CB 4.03Å; M334-E338 HydrophobicContact CE-CB 3.73Å; M334-E338 HydrophobicContact CE-CG 4.46Å; M334-W339 HydrophobicContact CB-CD2 4.4Å; M334-W339 HydrophobicContact CB-CZ2 4.06Å; M334-W339 HydrophobicContact CG-CZ2 4.06Å; M334-W339 VanDerWaalsContact O-CD1 3.29Å; M334-W339 PolarHBondContact O-NE1 3.16Å; M334-W339 VanDerWaalsContact O-NE1 3.08Å; M334-W339 HydrophobicContact SD-CH2 3.9Å; M334-W339 HydrophobicContact SD-CZ2 4.01Å; M334-W339 HydrophobicContact SD-CZ3 4.2Å; M334-L342 HydrophobicContact CE-CD1 3.64Å; M334-L342 HydrophobicContact CE-CG 4.5Å; M334-L342 HydrophobicContact SD-CD1 3.93Å
335S94.8Very high89.5Confident48 Ų4858.7 Ų58.734%0.33630%0.302SS..  trans-63159.1176.365.40000111.5D337 E338 W339S335-D337 PolarHBondContact O-N 3.2Å; S335-E338 WeakPolarHBondContact CB-OE2 3.4Å; S335-E338 PolarHBondContact N-OE2 2.93Å; S335-E338 PolarHBondContact O-N 3.33Å; S335-E338 VanDerWaalsContact O-N 3.12Å; S335-E338 VanDerWaalsContact OG-CD 3.26Å; S335-E338 VanDerWaalsContact OG-CG 3.24Å; S335-E338 WeakPolarHBondContact OG-CG 3.33Å; S335-E338 PolarHBondContact OG-N 3.48Å; S335-E338 PolarHBondContact OG-OE2 2.94Å; S335-W339 PolarHBondContact O-N 3.34Å; S335-W339 VanDerWaalsContact O-N 3.1Å
336L94.3Very high89.8Confident56 Ų5659 Ų5929%0.29330%0.304SS..Hα-helixtrans-53.7-41177.5-17371.1000112.8F61 S63 E64 A67 W339 R340F61-L336 HydrophobicContact CB-CD1 4.3Å; F61-L336 WeakPolarHBondContact O-CD1 3.43Å; F61-L336 VanDerWaalsContact O-CD2 3.31Å; F61-L336 WeakPolarHBondContact O-CD2 3.34Å; S63-L336 VanDerWaalsContact C-CD1 3.46Å; E64-L336 HydrophobicContact CG-CB 4.35Å; A67-L336 HydrophobicContact CB-CD1 3.77Å; L336-W339 PolarHBondContact O-N 3.21Å; L336-R340 WeakPolarHBondContact O-CB 3.4Å; L336-R340 PolarHBondContact O-N 3.1Å
337D94.6Very high90.2Very high68 Ų6855.6 Ų55.636%0.36429%0.286SS..Hα-helixtrans-68.3-35-179.8-85.6-29.2000113S335 R340 R341S335-D337 PolarHBondContact O-N 3.2Å; D337-R340 PolarHBondContact O-N 2.93Å; D337-R340 IonicContact OD1-CZ 3.39Å; D337-R340 IonicContact OD1-NE 3.34Å; D337-R340 PolarHBondContact OD1-NE 3.45Å; D337-R340 IonicContact OD1-NH2 2.72Å; D337-R340 PolarHBondContact OD1-NH2 3.1Å; D337-R341 WeakPolarHBondContact O-CB 3.38Å; D337-R341 VanDerWaalsContact O-CG 3.29Å; D337-R341 WeakPolarHBondContact O-CG 3.17Å; D337-R341 PolarHBondContact O-N 3.1Å
338E95.4Very high90.8Very high81 Ų8156.9 Ų56.938%0.37929%0.293SS..Hα-helixtrans-68.1-44.6175.3-70.5167.4129.900111.2M334 S335 R340 R341 L342M334-E338 HydrophobicContact CB-CB 4.03Å; M334-E338 HydrophobicContact CE-CB 3.73Å; M334-E338 HydrophobicContact CE-CG 4.46Å; S335-E338 WeakPolarHBondContact CB-OE2 3.4Å; S335-E338 PolarHBondContact N-OE2 2.93Å; S335-E338 PolarHBondContact O-N 3.33Å; S335-E338 VanDerWaalsContact O-N 3.12Å; S335-E338 VanDerWaalsContact OG-CD 3.26Å; S335-E338 VanDerWaalsContact OG-CG 3.24Å; S335-E338 WeakPolarHBondContact OG-CG 3.33Å; S335-E338 PolarHBondContact OG-N 3.48Å; S335-E338 PolarHBondContact OG-OE2 2.94Å; E338-R340 VanDerWaalsContact C-N 3.31Å; E338-R340 PolarHBondContact O-N 2.88Å; E338-R341 PolarHBondContact O-N 3.38Å; E338-L342 WeakPolarHBondContact O-CG 3.41Å; E338-L342 PolarHBondContact O-N 3.21Å
339W95.3Very high91.3Very high4 Ų456.4 Ų56.42%0.01529%0.289CS..Hα-helixtrans-59.8-42.5173.2-73.9119000112.3A67 K68 Y71 H329 A332 M334 S335 L336 L342 C343A67-W339 HydrophobicContact CB-CB 3.6Å; A67-W339 HydrophobicContact CB-CG 4.11Å; K68-W339 HydrophobicContact CB-CD2 4.13Å; K68-W339 HydrophobicContact CB-CZ2 4.02Å; K68-W339 HydrophobicContact CD-CH2 4.3Å; K68-W339 HydrophobicContact CD-CZ2 3.72Å; K68-W339 HydrophobicContact CG-CH2 3.98Å; K68-W339 HydrophobicContact CG-CZ2 3.7Å; Y71-W339 AromaticContact CD1-CE3 3.9Å; Y71-W339 HydrophobicContact CD1-CE3 3.9Å; Y71-W339 HydrophobicContact CD1-CH2 4.47Å; Y71-W339 AromaticContact CD1-CZ3 3.42Å; Y71-W339 HydrophobicContact CD1-CZ3 3.42Å; Y71-W339 VanDerWaalsContact CD1-CZ3 3.42Å; Y71-W339 AromaticContact CE1-CZ3 3.85Å; Y71-W339 HydrophobicContact CE1-CZ3 3.85Å; Y71-W339 AromaticContact CG-CE3 3.9Å; Y71-W339 HydrophobicContact CG-CE3 3.9Å; Y71-W339 AromaticContact CG-CZ3 3.92Å; Y71-W339 HydrophobicContact CG-CZ3 3.92Å; H329-W339 HydrophobicContact CB-CH2 4.2Å; H329-W339 HydrophobicContact CB-CZ3 4.31Å; H329-W339 WeakPolarHBondContact O-CH2 3.5Å; A332-W339 HydrophobicContact CB-CH2 4.41Å; A332-W339 HydrophobicContact CB-CZ2 4.48Å; M334-W339 HydrophobicContact CB-CD2 4.4Å; M334-W339 HydrophobicContact CB-CZ2 4.06Å; M334-W339 HydrophobicContact CG-CZ2 4.06Å; M334-W339 VanDerWaalsContact O-CD1 3.29Å; M334-W339 PolarHBondContact O-NE1 3.16Å; M334-W339 VanDerWaalsContact O-NE1 3.08Å; M334-W339 HydrophobicContact SD-CH2 3.9Å; M334-W339 HydrophobicContact SD-CZ2 4.01Å; M334-W339 HydrophobicContact SD-CZ3 4.2Å; S335-W339 PolarHBondContact O-N 3.34Å; S335-W339 VanDerWaalsContact O-N 3.1Å; L336-W339 PolarHBondContact O-N 3.21Å; W339-L342 HydrophobicContact CE3-CD1 4.04Å; W339-L342 HydrophobicContact CZ3-CD1 4.01Å; W339-L342 PolarHBondContact O-N 2.7Å; W339-C343 PolarHBondContact O-N 3.43Å; W339-C343 PolarHBondContact O-SG 2.69Å
340R96Very high91.9Very high42 Ų4254.8 Ų54.816%0.15828%0.282CS..Hα-helixtrans-61.2-44.3177.1-175.2172.662.9139.8-2.7111.6F61 L98 F101 L336 D337 E338 C343 Y344F61-R340 HydrophobicContact CD1-CB 3.97Å; F61-R340 HydrophobicContact CD1-CG 4.14Å; F61-R340 HydrophobicContact CD2-CG 4.15Å; F61-R340 HydrophobicContact CE1-CB 4.16Å; F61-R340 HydrophobicContact CE1-CG 4.21Å; F61-R340 HydrophobicContact CE2-CG 4.21Å; F61-R340 HydrophobicContact CG-CB 4.34Å; F61-R340 HydrophobicContact CG-CG 4.14Å; F61-R340 HydrophobicContact CZ-CG 4.26Å; L98-R340 HydrophobicContact CD1-CG 4.3Å; L98-R340 PolarHBondContact O-NH1 2.96Å; F101-R340 HydrophobicContact CD1-CG 3.68Å; F101-R340 HydrophobicContact CE1-CG 4.27Å; F101-R340 WeakPolarHBondContact CE1-O 3.49Å; L336-R340 WeakPolarHBondContact O-CB 3.4Å; L336-R340 PolarHBondContact O-N 3.1Å; D337-R340 PolarHBondContact O-N 2.93Å; D337-R340 IonicContact OD1-CZ 3.39Å; D337-R340 IonicContact OD1-NE 3.34Å; D337-R340 PolarHBondContact OD1-NE 3.45Å; D337-R340 IonicContact OD1-NH2 2.72Å; D337-R340 PolarHBondContact OD1-NH2 3.1Å; E338-R340 VanDerWaalsContact C-N 3.31Å; E338-R340 PolarHBondContact O-N 2.88Å; R340-C343 PolarHBondContact O-N 2.92Å; R340-Y344 WeakPolarHBondContact O-CB 3.27Å; R340-Y344 PolarHBondContact O-N 2.78Å
341R96Very high92.6Very high127 Ų12759.8 Ų59.848%0.47931%0.312SS..Hα-helixtrans-60.3-45.1174.4-78176.1-167.8118.43.5112.3L98 D337 E338 Y344 K345L98-R341 HydrophobicContact CD1-CG 3.98Å; L98-R341 HydrophobicContact CD2-CG 3.47Å; L98-R341 VanDerWaalsContact CD2-CG 3.47Å; L98-R341 HydrophobicContact CG-CG 4.35Å; D337-R341 WeakPolarHBondContact O-CB 3.38Å; D337-R341 VanDerWaalsContact O-CG 3.29Å; D337-R341 WeakPolarHBondContact O-CG 3.17Å; D337-R341 PolarHBondContact O-N 3.1Å; E338-R341 PolarHBondContact O-N 3.38Å; R341-Y344 PolarHBondContact O-N 3.1Å; R341-K345 PolarHBondContact O-N 3.3Å
342L95.6Very high93.1Very high33 Ų3359 Ų5917%0.17331%0.313CS..Hα-helixtrans-62.8-46.6177.8-74.5178.6000111.6Y71 M334 E338 W339 Y344 K345 E346Y71-L342 HydrophobicContact CD2-CB 3.83Å; Y71-L342 HydrophobicContact CE2-CB 3.62Å; Y71-L342 HydrophobicContact CE2-CD1 4.41Å; Y71-L342 HydrophobicContact CE2-CG 4.5Å; M334-L342 HydrophobicContact CE-CD1 3.64Å; M334-L342 HydrophobicContact CE-CG 4.5Å; M334-L342 HydrophobicContact SD-CD1 3.93Å; E338-L342 WeakPolarHBondContact O-CG 3.41Å; E338-L342 PolarHBondContact O-N 3.21Å; W339-L342 HydrophobicContact CE3-CD1 4.04Å; W339-L342 HydrophobicContact CZ3-CD1 4.01Å; W339-L342 PolarHBondContact O-N 2.7Å; L342-Y344 VanDerWaalsContact C-N 3.35Å; L342-Y344 PolarHBondContact O-N 2.83Å; L342-K345 PolarHBondContact O-N 3.07Å; L342-E346 WeakPolarHBondContact O-CG 3.24Å; L342-E346 PolarHBondContact O-N 2.95Å
343C95.5Very high92.9Very high0 Ų060.6 Ų60.60%032%0.315CS..Hα-helixtrans-57.4-47.9174.2-69.90000111.4F61 Y71 F101 F104 W339 R340 K345 E346 V347F61-C343 HydrophobicContact CE1-CB 4.02Å; F61-C343 HydrophobicContact CZ-CB 4.04Å; Y71-C343 VanDerWaalsContact CA-SG 3.55Å; Y71-C343 VanDerWaalsContact CB-SG 3.53Å; F101-C343 HydrophobicContact CE1-CB 3.81Å; F101-C343 HydrophobicContact CZ-CB 4.15Å; F104-C343 HydrophobicContact CE1-CB 4.41Å; W339-C343 PolarHBondContact O-N 3.43Å; W339-C343 PolarHBondContact O-SG 2.69Å; R340-C343 PolarHBondContact O-N 2.92Å; C343-K345 VanDerWaalsContact C-N 3.3Å; C343-K345 PolarHBondContact O-N 2.7Å; C343-E346 PolarHBondContact O-N 3.48Å; C343-E346 VanDerWaalsContact O-N 3.15Å; C343-V347 VanDerWaalsContact O-CG2 3.3Å; C343-V347 WeakPolarHBondContact O-CG2 3.47Å; C343-V347 PolarHBondContact O-N 3.12Å
344Y96.2Very high92.1Very high37 Ų3759.9 Ų59.915%0.14531%0.313CS..Hα-helixtrans-59.3-42179.3-170.6-109000112R7 S97 L98 F101 R340 R341 L342 N348R7-Y344 PolarHBondContact NH2-OH 2.98Å; S97-Y344 WeakPolarHBondContact CA-OH 3.38Å; L98-Y344 HydrophobicContact CB-CD1 4.28Å; L98-Y344 HydrophobicContact CB-CE1 4.38Å; L98-Y344 HydrophobicContact CD1-CD1 4.21Å; L98-Y344 HydrophobicContact CD1-CG 4Å; F101-Y344 HydrophobicContact CB-CD2 3.89Å; F101-Y344 HydrophobicContact CB-CE2 4.29Å; F101-Y344 AromaticContact CD1-CD2 3.85Å; F101-Y344 HydrophobicContact CD1-CD2 3.85Å; F101-Y344 HydrophobicContact CD1-CG 4.24Å; F101-Y344 AromaticContact CD2-CD2 3.74Å; F101-Y344 HydrophobicContact CD2-CD2 3.74Å; F101-Y344 HydrophobicContact CD2-CE2 4.32Å; F101-Y344 HydrophobicContact CE1-CD2 4.27Å; F101-Y344 HydrophobicContact CE2-CD2 4.17Å; F101-Y344 AromaticContact CG-CD2 3.57Å; F101-Y344 HydrophobicContact CG-CD2 3.57Å; F101-Y344 HydrophobicContact CG-CE2 4.31Å; F101-Y344 HydrophobicContact CG-CG 4.37Å; F101-Y344 HydrophobicContact CZ-CD2 4.43Å; R340-Y344 WeakPolarHBondContact O-CB 3.27Å; R340-Y344 PolarHBondContact O-N 2.78Å; R341-Y344 PolarHBondContact O-N 3.1Å; L342-Y344 VanDerWaalsContact C-N 3.35Å; L342-Y344 PolarHBondContact O-N 2.83Å; Y344-N348 VanDerWaalsContact CD1-ND2 3.35Å; Y344-N348 WeakPolarHBondContact CD1-ND2 3.35Å; Y344-N348 WeakPolarHBondContact CE1-ND2 3.46Å; Y344-N348 WeakPolarHBondContact CE2-ND2 3.31Å; Y344-N348 PolarHBondContact O-N 3.23Å; Y344-N348 VanDerWaalsContact O-N 3.08Å; Y344-N348 PolarHBondContact O-ND2 2.88Å
345K95.9Very high90.9Very high145 Ų14562 Ų6263%0.6332%0.319SS*.Hα-helixtrans-63.6-43.9175.1-174.7-176.9177-173.80111.8R341 L342 C343 N348 S349R341-K345 PolarHBondContact O-N 3.3Å; L342-K345 PolarHBondContact O-N 3.07Å; C343-K345 VanDerWaalsContact C-N 3.3Å; C343-K345 PolarHBondContact O-N 2.7Å; K345-N348 PolarHBondContact O-N 2.77Å; K345-S349 VanDerWaalsContact O-CB 3.27Å; K345-S349 WeakPolarHBondContact O-CB 3.47Å; K345-S349 PolarHBondContact O-N 3.45Å; K345-S349 PolarHBondContact O-OG 3.47Å
346E95.1Very high89.4Confident28 Ų2868.3 Ų68.313%0.13134%0.335CS..Hα-helixtrans-66.1-38.1179.2-72.4-63.8164.800112.7Y71 L74 R75 K78 L342 C343 S349 F350Y71-E346 HydrophobicContact CD2-CG 4.31Å; Y71-E346 HydrophobicContact CE2-CG 3.65Å; L74-E346 HydrophobicContact CD2-CB 3.53Å; L74-E346 HydrophobicContact CG-CB 4.18Å; R75-E346 VanDerWaalsContact CD-OE1 3.23Å; R75-E346 WeakPolarHBondContact CD-OE1 3.29Å; R75-E346 HydrophobicContact CG-CG 4.44Å; R75-E346 IonicContact CZ-OE1 3.67Å; R75-E346 IonicContact NE-OE1 3.88Å; R75-E346 IonicContact NH1-OE1 2.83Å; R75-E346 PolarHBondContact NH1-OE1 3.44Å; K78-E346 PolarHBondContact NZ-O 2.95Å; K78-E346 IonicContact NZ-OE2 3.77Å; K78-E346 PolarHBondContact NZ-OE2 3.1Å; L342-E346 WeakPolarHBondContact O-CG 3.24Å; L342-E346 PolarHBondContact O-N 2.95Å; C343-E346 PolarHBondContact O-N 3.48Å; C343-E346 VanDerWaalsContact O-N 3.15Å; E346-S349 WeakPolarHBondContact CA-OG 3.36Å; E346-S349 PolarHBondContact O-OG 2.74Å; E346-F350 PolarHBondContact O-N 3.5Å
347V95.9Very high87.9Confident8 Ų870.3 Ų70.35%0.04835%0.347CS..Hα-helixtrans-63-50.8174.4171.50000110.4L74 V91 T93 F101 F104 C343 S349 F350L74-V347 HydrophobicContact CD2-CG2 3.8Å; V91-V347 HydrophobicContact CG2-CB 4.35Å; V91-V347 HydrophobicContact CG2-CG1 4.12Å; V91-V347 HydrophobicContact CG2-CG2 3.81Å; T93-V347 HydrophobicContact CG2-CG1 4.08Å; F101-V347 HydrophobicContact CZ-CG2 4.31Å; F104-V347 HydrophobicContact CB-CG2 4.13Å; F104-V347 HydrophobicContact CD2-CG2 4.15Å; F104-V347 HydrophobicContact CG-CG2 4.1Å; C343-V347 VanDerWaalsContact O-CG2 3.3Å; C343-V347 WeakPolarHBondContact O-CG2 3.47Å; C343-V347 PolarHBondContact O-N 3.12Å; V347-S349 VanDerWaalsContact C-N 3.31Å; V347-S349 PolarHBondContact O-N 2.84Å; V347-F350 WeakPolarHBondContact O-CB 3.35Å; V347-F350 PolarHBondContact O-N 3.38Å
348N93.4Very high86.2Confident84 Ų8469.1 Ų69.145%0.44934%0.343SS..Hα-helixtrans-73.9-19-176-70-58.4000114.4Y344 K345Y344-N348 VanDerWaalsContact CD1-ND2 3.35Å; Y344-N348 WeakPolarHBondContact CD1-ND2 3.35Å; Y344-N348 WeakPolarHBondContact CE1-ND2 3.46Å; Y344-N348 WeakPolarHBondContact CE2-ND2 3.31Å; Y344-N348 PolarHBondContact O-N 3.23Å; Y344-N348 VanDerWaalsContact O-N 3.08Å; Y344-N348 PolarHBondContact O-ND2 2.88Å; K345-N348 PolarHBondContact O-N 2.77Å
349S93.8Very high84.5Confident60 Ų6073.5 Ų73.542%0.4236%0.361SS..THydrogen-bonded Turntrans-93.94.2177.259.30000113.3K78 K345 E346 V347 V351K78-S349 PolarHBondContact NZ-OG 2.83Å; K345-S349 VanDerWaalsContact O-CB 3.27Å; K345-S349 WeakPolarHBondContact O-CB 3.47Å; K345-S349 PolarHBondContact O-N 3.45Å; K345-S349 PolarHBondContact O-OG 3.47Å; E346-S349 WeakPolarHBondContact CA-OG 3.36Å; E346-S349 PolarHBondContact O-OG 2.74Å; V347-S349 VanDerWaalsContact C-N 3.31Å; V347-S349 PolarHBondContact O-N 2.84Å; S349-V351 PolarHBondContact O-N 3.45Å
350F93.6Very high83Confident27 Ų2776.2 Ų76.212%0.11837%0.371CS..  trans-65.5132.7179.2179.8-102.4000111.3K78 L88 Q89 V91 E346 V347 P352K78-F350 HydrophobicContact CD-CD2 4.17Å; K78-F350 HydrophobicContact CG-CD2 3.93Å; K78-F350 HydrophobicContact CG-CE2 4.3Å; L88-F350 HydrophobicContact CB-CE2 4Å; L88-F350 HydrophobicContact CB-CZ 4.37Å; L88-F350 HydrophobicContact CD2-CD2 3.9Å; L88-F350 HydrophobicContact CD2-CE2 3.73Å; L88-F350 HydrophobicContact CD2-CZ 4.43Å; L88-F350 HydrophobicContact CG-CE2 3.96Å; L88-F350 HydrophobicContact CG-CZ 4.25Å; Q89-F350 WeakPolarHBondContact O-CE1 3.42Å; V91-F350 HydrophobicContact CG1-CB 3.33Å; V91-F350 HydrophobicContact CG1-CD1 3.9Å; V91-F350 HydrophobicContact CG1-CD2 3.94Å; V91-F350 HydrophobicContact CG1-CG 3.44Å; V91-F350 VanDerWaalsContact CG1-CG 3.44Å; E346-F350 PolarHBondContact O-N 3.5Å; V347-F350 WeakPolarHBondContact O-CB 3.35Å; V347-F350 PolarHBondContact O-N 3.38Å; F350-P352 HydrophobicContact CD1-CG 4.39Å; F350-P352 HydrophobicContact CE1-CB 4.2Å; F350-P352 HydrophobicContact CE1-CG 3.86Å
351V89Confident81.1Confident112 Ų11284.2 Ų84.268%0.67941%0.407SS*.  trans-121.9120.2172.3-178.50000107S349 F353S349-V351 PolarHBondContact O-N 3.45Å; V351-F353 PolarHBondContact O-N 3.13Å
352P85Confident79.6Confident86 Ų8680.4 Ų80.456%0.55840%0.397SS*.  trans-56.9137.8174.4-21.430.4000110.5F350F350-P352 HydrophobicContact CD1-CG 4.39Å; F350-P352 HydrophobicContact CE1-CB 4.2Å; F350-P352 HydrophobicContact CE1-CG 3.86Å
353F78.1Confident78.3Confident58 Ų5885.2 Ų85.225%0.25443%0.427SS..  trans-107.9149.8173.660-88.1000110.5K81 L88 V351 R355K81-F353 HydrophobicContact CG-CD2 4.3Å; K81-F353 HydrophobicContact CG-CE1 4.41Å; K81-F353 HydrophobicContact CG-CE2 4.03Å; K81-F353 HydrophobicContact CG-CZ 4.09Å; L88-F353 WeakPolarHBondContact O-CE1 3.37Å; V351-F353 PolarHBondContact O-N 3.13Å; F353-R355 PolarHBondContact O-N 3.42Å
354P70.4Confident77.3Confident118 Ų11887 Ų8777%0.76644%0.436SS*.  trans-58.9128.4175-19.330.6000110R356P354-R356 PolarHBondContact O-N 3.46Å
355R65.8Low76.1Confident80 Ų8089 Ų8930%0.30245%0.453SS..  trans-61.3138.1173.4-86.8-174.1170.1170.50.3109.8E50 Q89 F353E50-R355 VanDerWaalsContact CD-NH1 3.31Å; E50-R355 IonicContact OE1-NH1 3.02Å; E50-R355 PolarHBondContact OE1-NH1 3.37Å; E50-R355 IonicContact OE2-CZ 2.76Å; E50-R355 IonicContact OE2-NH1 2.84Å; E50-R355 PolarHBondContact OE2-NH1 2.83Å; E50-R355 IonicContact OE2-NH2 3.96Å; Q89-R355 VanDerWaalsContact CD-CZ 3.48Å; F353-R355 PolarHBondContact O-N 3.42Å
356R63.3Low74.7Confident180 Ų18083.3 Ų83.368%0.67943%0.429SS*.  trans-97.1106.1155.8-66.8-176.8-177.7-178.60.6105.4V83 P354V83-R356 HydrophobicContact CG1-CB 4.17Å; V83-R356 WeakPolarHBondContact CG1-O 3.32Å; P354-R356 PolarHBondContact O-N 3.46Å
357D61.3Low72.8Confident99 Ų9986.2 Ų86.253%0.52945%0.452SS..  trans-84153.6166.3-63.4-37.7000108.4K359D357-K359 PolarHBondContact O-N 3.1Å
358S60.2Low70.4Confident42 Ų4293.9 Ų93.929%0.29450%0.502SS..  trans-59.3127175.5-176.50000108.9E163 R360E163-S358 WeakPolarHBondContact OE1-CB 3.48Å; S358-R360 PolarHBondContact OG-N 3.37Å
359K58.5Low69.3Low174 Ų17494.4 Ų94.476%0.75751%0.505SS*.  trans-81.2-6.1174.3-65.2-178.5-1691610112.4E317 D357 K361E317-K359 IonicContact OE2-NZ 3.18Å; E317-K359 PolarHBondContact OE2-NZ 3.18Å; D357-K359 PolarHBondContact O-N 3.1Å; K359-K361 PolarHBondContact O-N 3.25Å
360R64.3Low68Low61 Ų6196.2 Ų96.223%0.2351%0.51CS..  trans-69.2123.8-175.7-71.1177.5177.1-121-14.5110.1Y132 L313 D318 S358 N362Y132-R360 PolarHBondContact OH-NH2 2.91Å; L313-R360 PolarHBondContact O-NH1 3.33Å; L313-R360 PolarHBondContact O-NH2 3.16Å; D318-R360 IonicContact OD1-NE 3.67Å; D318-R360 IonicContact OD1-NH2 3.34Å; D318-R360 IonicContact OD2-CZ 3.21Å; D318-R360 IonicContact OD2-NE 2.68Å; D318-R360 PolarHBondContact OD2-NE 3.43Å; D318-R360 IonicContact OD2-NH2 2.79Å; D318-R360 PolarHBondContact OD2-NH2 3.07Å; S358-R360 PolarHBondContact OG-N 3.37Å; R360-N362 PolarHBondContact O-N 3.07Å
361K56.4Low66.6Low210 Ų210100.1 Ų100.191%0.91353%0.531SS*.  trans-68.9100.8164.1-74.8-175.7178.1179.50107.9K359K359-K361 PolarHBondContact O-N 3.25Å
362N63.9Low65.3Low47 Ų4799.4 Ų99.425%0.25152%0.523SS..  trans-90.4132175.7-1647.2000111F129 D161 R360 L364F129-N362 WeakPolarHBondContact CE1-ND2 3.37Å; D161-N362 PolarHBondContact O-ND2 3.02Å; R360-N362 PolarHBondContact O-N 3.07Å; N362-L364 PolarHBondContact ND2-O 2.97Å; N362-L364 WeakPolarHBondContact OD1-CB 2.95Å; N362-L364 PolarHBondContact OD1-N 3.12Å
363T69.1Low64Low133 Ų133100.2 Ų100.282%0.81652%0.52SS*.  trans-100.9-6.5172.7550000112.6
364L74.8Confident63.1Low37 Ų37103 Ų10319%0.19454%0.538CS..  trans-83.9130.9178.7-62.6172.3000110.8D125 K126 F129 D161 C162 N362D125-L364 HydrophobicContact CB-CD2 4.25Å; K126-L364 HydrophobicContact CG-CD2 4.47Å; F129-L364 HydrophobicContact CB-CD1 3.9Å; F129-L364 HydrophobicContact CD1-CD1 4.12Å; F129-L364 HydrophobicContact CG-CD1 4.13Å; D161-L364 CarbonylContact C-O 3.48Å; C162-L364 HydrophobicContact CB-CB 4.44Å; N362-L364 PolarHBondContact ND2-O 2.97Å; N362-L364 WeakPolarHBondContact OD1-CB 2.95Å; N362-L364 PolarHBondContact OD1-N 3.12Å
365T70.3Confident62.6Low80 Ų80101.9 Ų101.949%0.49152%0.522SS..  trans-119.6139.1175.260.60000112.2K126 Q160 S367K126-T365 WeakPolarHBondContact CE-O 3.48Å; K126-T365 PolarHBondContact NZ-O 2.72Å; Q160-T365 CarbonylContact O-C 3.44Å; Q160-T365 WeakPolarHBondContact O-CA 3.49Å; T365-S367 PolarHBondContact O-N 3.34Å
366M66.3Low62.3Low25 Ų25103.6 Ų103.612%0.12354%0.539CS..  trans-77.7113.9167.7-68.5-61.4-92.800109.5L115 V118 K126 V158 N159 Q160 C162L115-M366 HydrophobicContact CD2-CE 4.42Å; V118-M366 HydrophobicContact CB-CE 4.24Å; V118-M366 HydrophobicContact CG1-CE 3.65Å; V118-M366 HydrophobicContact CG2-CE 3.52Å; K126-M366 HydrophobicContact CD-SD 4.43Å; V158-M366 HydrophobicContact CG2-CE 4.38Å; N159-M366 WeakPolarHBondContact O-CG 3.31Å; Q160-M366 PolarHBondContact O-N 3.21Å; C162-M366 HydrophobicContact CB-CG 4.37Å; C162-M366 WeakPolarHBondContact SG-CG 3.49Å
367S55.7Low62.2Low90 Ų9097.3 Ų97.363%0.62953%0.527SS*.  trans-76.7145.6168.2-52.90000109.3T365T365-S367 PolarHBondContact O-N 3.34Å
368P46.1Very low62.3Low169 Ų16997.1 Ų97.1100%1.09753%0.527SS*.  trans-55.50179.5-23.332.6000115

Retrieved 368 of 368 residues in 489 ms (Link to these results)

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