A0A3Q0KBZ7_SCHMA Loading...

Putative rab6 gtpase activating protein, gapcena (Rabgap1 protein) AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,010 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
1M34.2Very low31.7Very low223 Ų223152 Ų152100%1.09984%0.839SS**  099.40-67.9-176.2177.800107.3
2D37.4Very low31.4Very low156 Ų156147 Ų14783%0.83485%0.848SS**  -115.8123-119.7-56.1-66.9000114
3S31.8Very low32.1Very low120 Ų120141.6 Ų141.684%0.83982%0.824SS**  trans-72.1120.3177.745.20000111.2
4N32.6Very low33.4Very low160 Ų160142.1 Ų142.186%0.85682%0.822SS**  trans-125.7121.2166.9-120.1-9.2000108.5
5P32.8Very low35.4Very low110 Ų110135.5 Ų135.571%0.71479%0.787SS**PPolyproline II helixtrans-78.5131-176.930.8-32.9000111.2L7P5-L7 PolarHBondContact O-N 3.38Å
6S30.9Very low38.4Very low115 Ų115133.8 Ų133.880%0.80476%0.764SS**PPolyproline II helixtrans-69.7117.1168.851.60000110.3D8S6-D8 PolarHBondContact O-N 3.34Å
7L30.6Very low41.2Very low176 Ų176127.2 Ų127.292%0.92173%0.728SS**PPolyproline II helixtrans-71.3123.7168-132.983.5000109.3P5P5-L7 PolarHBondContact O-N 3.38Å
8D31.3Very low43.9Very low139 Ų139120.2 Ų120.274%0.74369%0.688SS**PPolyproline II helixtrans-78158.6-172.8-142.8-24.1000112.5S6 T10S6-D8 PolarHBondContact O-N 3.34Å; D8-T10 PolarHBondContact O-N 3.19Å
9K30.5Very low46.3Very low200 Ų200116.6 Ų116.687%0.8766%0.662SS**SBendtrans-76.579.3-173.4-71177.7176.8175.70112.6
10T27.1Very low48.6Very low115 Ų115111.4 Ų111.471%0.70663%0.632SS**  trans-135.988.7170.6560000112.6D8D8-T10 PolarHBondContact O-N 3.19Å
11N29.2Very low50.5Low158 Ų158108.9 Ų108.985%0.84562%0.615SS**  trans174.582.3143.9-89.9-13.3000109.7S13N11-S13 PolarHBondContact O-N 3.22Å
12G28.5Very low53Low92 Ų92102.5 Ų102.595%0.94859%0.585SS**  trans-78.546.7178.500000113.8
13S41.1Very low55.5Low77 Ų7795.2 Ų95.254%0.53855%0.546SS..  trans-85.1117177.550.60000110.9N11 S15N11-S13 PolarHBondContact O-N 3.22Å; S13-S15 WeakPolarHBondContact O-CB 3.4Å; S13-S15 PolarHBondContact O-N 3.08Å; S13-S15 PolarHBondContact O-OG 3.37Å
14D50.4Low58.4Low148 Ų14891.6 Ų91.679%0.79152%0.516SS*.  trans-46.661.5-178.2-151.619.3000115.8R16D14-R16 PolarHBondContact O-N 2.84Å
15S62Low61.2Low43 Ų4384.7 Ų84.730%0.30148%0.478SS..  trans-94.586.8-168.6-55.20000110.6S13 N65S13-S15 WeakPolarHBondContact O-CB 3.4Å; S13-S15 PolarHBondContact O-N 3.08Å; S13-S15 PolarHBondContact O-OG 3.37Å; S15-N65 PolarHBondContact OG-ND2 3.3Å
16R83.3Confident63.9Low108 Ų10880.2 Ų80.241%0.40845%0.448SS..  trans-57.9145.8172-62175.7-171.11662.7110.4D14 T64 G354D14-R16 PolarHBondContact O-N 2.84Å; R16-T64 HydrophobicContact CB-CG2 4.23Å; R16-T64 WeakPolarHBondContact O-CB 3.49Å; R16-T64 VanDerWaalsContact O-CG2 3.24Å; R16-T64 WeakPolarHBondContact O-CG2 3.35Å; R16-T64 PolarHBondContact O-N 3.24Å; R16-T64 PolarHBondContact O-OG1 3.35Å; R16-G354 WeakPolarHBondContact CD-O 3.49Å
17C86.6Confident66.3Low23 Ų2378.2 Ų78.216%0.15543%0.433CS..EExtended strand (participates in β ladder)trans-117.6156.5178.8-70.50000112.1Y19 I62 N355 L356C17-Y19 HydrophobicContact CB-CD2 4.28Å; C17-Y19 HydrophobicContact CB-CE2 3.84Å; C17-I62 CarbonylContact C-O 3.54Å; C17-I62 WeakPolarHBondContact CA-O 3.27Å; C17-N355 PolarHBondContact N-OD1 2.96Å; C17-N355 CarbonylContact O-C 3.13Å; C17-N355 VanDerWaalsContact O-CA 3.28Å; C17-N355 WeakPolarHBondContact O-CA 3.49Å; C17-N355 WeakPolarHBondContact O-CB 3.4Å; C17-L356 PolarHBondContact O-N 3.43Å
18I89.6Confident68.5Low1 Ų170.4 Ų70.41%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-105.9120.8167-58.2-178.2000107.9F20 I62 T64 V148 W167 L356 A358I18-F20 HydrophobicContact CB-CE2 4.31Å; I18-F20 HydrophobicContact CG2-CD2 4.04Å; I18-F20 HydrophobicContact CG2-CE2 3.49Å; I18-F20 VanDerWaalsContact CG2-CE2 3.49Å; I18-F20 HydrophobicContact CG2-CZ 4.08Å; I18-I62 PolarHBondContact N-O 2.86Å; I18-I62 PolarHBondContact O-N 2.92Å; I18-T64 HydrophobicContact CG1-CG2 4.18Å; I18-V148 HydrophobicContact CD1-CG1 3.91Å; I18-V148 HydrophobicContact CD1-CG2 4.14Å; I18-W167 HydrophobicContact CD1-CD2 3.91Å; I18-W167 HydrophobicContact CD1-CE3 3.77Å; I18-W167 HydrophobicContact CD1-CH2 3.34Å; I18-W167 HydrophobicContact CD1-CZ2 3.47Å; I18-W167 VanDerWaalsContact CD1-CZ2 3.47Å; I18-W167 HydrophobicContact CD1-CZ3 3.49Å; I18-W167 VanDerWaalsContact CD1-CZ3 3.49Å; I18-W167 HydrophobicContact CG1-CZ2 4.5Å; I18-L356 CarbonylContact C-O 3.59Å; I18-L356 WeakPolarHBondContact CA-O 3.41Å; I18-L356 HydrophobicContact CD1-CD2 4.38Å; I18-L356 HydrophobicContact CG1-CB 4.32Å; I18-L356 HydrophobicContact CG1-CD2 4.4Å; I18-A358 HydrophobicContact CG2-CB 3.83Å
19Y90.7Very high70.4Confident52 Ų5271.7 Ų71.720%0.20440%0.4CS..EExtended strand (participates in β ladder)trans-94.3128.7177.7-74.6-110.2000109.5C17 L61 N355 L356 Y357 A358C17-Y19 HydrophobicContact CB-CD2 4.28Å; C17-Y19 HydrophobicContact CB-CE2 3.84Å; Y19-L61 HydrophobicContact CD1-CD1 4.14Å; Y19-L61 HydrophobicContact CD1-CD2 4.39Å; Y19-L61 HydrophobicContact CD1-CG 3.83Å; Y19-L61 HydrophobicContact CE1-CD1 3.98Å; Y19-L61 HydrophobicContact CE1-CD2 3.57Å; Y19-L61 HydrophobicContact CE1-CG 3.51Å; Y19-L61 HydrophobicContact CE2-CD2 4.35Å; Y19-L61 HydrophobicContact CE2-CG 4.33Å; Y19-L61 HydrophobicContact CG-CG 4.39Å; Y19-L61 WeakPolarHBondContact OH-CD2 3.4Å; Y19-N355 HydrophobicContact CD2-CB 3.79Å; Y19-N355 HydrophobicContact CE2-CB 3.53Å; Y19-L356 PolarHBondContact N-O 3.45Å; Y19-Y357 HydrophobicContact CD1-CE1 4.45Å; Y19-Y357 HydrophobicContact CG-CE1 4.38Å; Y19-A358 PolarHBondContact O-N 3.27Å
20F91.2Very high72.4Confident11 Ų1166.1 Ų66.15%0.04838%0.379CS..EExtended strand (participates in β ladder)trans-112.5115.7164.3-64.1-103.9000107.9I18 I23 N59 L60 I62 R144 I145 V148 A358I18-F20 HydrophobicContact CB-CE2 4.31Å; I18-F20 HydrophobicContact CG2-CD2 4.04Å; I18-F20 HydrophobicContact CG2-CE2 3.49Å; I18-F20 VanDerWaalsContact CG2-CE2 3.49Å; I18-F20 HydrophobicContact CG2-CZ 4.08Å; F20-I23 HydrophobicContact CB-CD1 3.55Å; F20-I23 HydrophobicContact CB-CG1 4.43Å; F20-N59 CarbonylContact O-C 3.54Å; F20-N59 VanDerWaalsContact O-CA 3.27Å; F20-N59 WeakPolarHBondContact O-CA 3.4Å; F20-L60 HydrophobicContact CB-CB 4.34Å; F20-L60 PolarHBondContact N-O 2.86Å; F20-L60 PolarHBondContact O-N 3.35Å; F20-I62 HydrophobicContact CD2-CD1 3.91Å; F20-I62 HydrophobicContact CD2-CG1 4.23Å; F20-I62 HydrophobicContact CE2-CD1 3.48Å; F20-I62 VanDerWaalsContact CE2-CD1 3.48Å; F20-I62 HydrophobicContact CE2-CG1 4.11Å; F20-I62 HydrophobicContact CZ-CD1 4.38Å; F20-R144 HydrophobicContact CE1-CB 4.12Å; F20-R144 HydrophobicContact CE1-CG 3.94Å; F20-R144 HydrophobicContact CZ-CG 4.06Å; F20-I145 HydrophobicContact CD1-CD1 4.1Å; F20-I145 HydrophobicContact CD1-CG1 3.52Å; F20-I145 HydrophobicContact CD2-CG1 4.09Å; F20-I145 HydrophobicContact CE1-CB 4.47Å; F20-I145 HydrophobicContact CE1-CD1 4.48Å; F20-I145 HydrophobicContact CE1-CG1 3.45Å; F20-I145 VanDerWaalsContact CE1-CG1 3.45Å; F20-I145 HydrophobicContact CE2-CG1 4.05Å; F20-I145 HydrophobicContact CG-CD1 4.24Å; F20-I145 HydrophobicContact CG-CG1 3.84Å; F20-I145 HydrophobicContact CZ-CB 4.46Å; F20-I145 HydrophobicContact CZ-CG1 3.73Å; F20-V148 HydrophobicContact CZ-CG2 4.14Å; F20-A358 HydrophobicContact CD1-CB 3.7Å; F20-A358 HydrophobicContact CD2-CB 4.33Å; F20-A358 HydrophobicContact CE1-CB 3.58Å; F20-A358 HydrophobicContact CE2-CB 4.21Å; F20-A358 HydrophobicContact CG-CB 4.1Å; F20-A358 HydrophobicContact CZ-CB 3.85Å
21E88.7Confident74.6Confident60 Ų6064.7 Ų64.728%0.2837%0.367SS..EExtended strand (participates in β ladder)trans-84.9162.6179-58.1-178.3136.200110.8I23 Y357 K360E21-I23 PolarHBondContact O-N 3.34Å; E21-Y357 HydrophobicContact CG-CD1 4.22Å; E21-Y357 WeakPolarHBondContact OE1-CD1 3.36Å; E21-Y357 WeakPolarHBondContact OE1-CE1 3.45Å; E21-K360 IonicContact OE1-NZ 3.87Å; E21-K360 PolarHBondContact OE1-NZ 2.87Å; E21-K360 IonicContact OE2-NZ 2.76Å; E21-K360 PolarHBondContact OE2-NZ 3.49Å
22D86.2Confident76.8Confident88 Ų8857.1 Ų57.147%0.47133%0.327SS..EExtended strand (participates in β ladder)trans58.431.7168.8-55.6-35.8000116.7P137D22-P137 HydrophobicContact CB-CG 4.27Å; D22-P137 WeakPolarHBondContact O-CD 3.42Å; D22-P137 WeakPolarHBondContact O-CG 3.3Å
23I91.3Very high78.9Confident3 Ų354.7 Ų54.72%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-82.4138.9174.4-65.7164.2000110.1F20 E21 V57 V58 L60 L134 I145F20-I23 HydrophobicContact CB-CD1 3.55Å; F20-I23 HydrophobicContact CB-CG1 4.43Å; E21-I23 PolarHBondContact O-N 3.34Å; I23-V57 CarbonylContact O-C 3.57Å; I23-V57 WeakPolarHBondContact O-CA 3.46Å; I23-V58 HydrophobicContact CB-CG2 3.96Å; I23-V58 HydrophobicContact CG2-CG2 4.05Å; I23-V58 PolarHBondContact N-O 3.25Å; I23-V58 VanDerWaalsContact N-O 3.12Å; I23-V58 WeakPolarHBondContact O-CG2 3.38Å; I23-V58 PolarHBondContact O-N 3.36Å; I23-L60 HydrophobicContact CD1-CB 3.52Å; I23-L60 HydrophobicContact CD1-CD2 4.24Å; I23-L134 HydrophobicContact CG2-CB 3.75Å; I23-L134 HydrophobicContact CG2-CD1 4.49Å; I23-L134 HydrophobicContact CG2-CD2 3.78Å; I23-L134 HydrophobicContact CG2-CG 4.21Å; I23-I145 HydrophobicContact CD1-CD1 3.64Å; I23-I145 HydrophobicContact CG1-CD1 4.45Å
24Q92.4Very high80.5Confident45 Ų4556 Ų5621%0.2130%0.304CS..EExtended strand (participates in β ladder)trans-88.3118.9169.2-60.5-179.6-26.400109.3F26 F55 L134 R135Q24-F26 HydrophobicContact CB-CE2 3.88Å; Q24-F26 HydrophobicContact CB-CZ 4.4Å; Q24-F55 HydrophobicContact CB-CB 4.19Å; Q24-F55 HydrophobicContact CB-CD2 3.77Å; Q24-F55 HydrophobicContact CB-CE2 4.38Å; Q24-F55 HydrophobicContact CB-CG 4Å; Q24-F55 HydrophobicContact CG-CD2 3.62Å; Q24-F55 HydrophobicContact CG-CE2 3.73Å; Q24-F55 HydrophobicContact CG-CG 4.19Å; Q24-F55 HydrophobicContact CG-CZ 4.36Å; Q24-L134 CarbonylContact O-C 3.54Å; Q24-L134 WeakPolarHBondContact O-CA 3.45Å; Q24-R135 HydrophobicContact CB-CB 4.23Å; Q24-R135 PolarHBondContact N-O 3.05Å; Q24-R135 PolarHBondContact O-N 2.87Å; Q24-R135 VanDerWaalsContact OE1-CD 3.32Å
25F91.7Very high81.9Confident14 Ų1452.1 Ų52.16%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-102.7131.4178.6169.3-121.2000111.6F55 T56 V58 I72 L81 I82 H132 V133 L134F25-F55 VanDerWaalsContact O-CA 3.29Å; F25-F55 WeakPolarHBondContact O-CA 3.2Å; F25-F55 WeakPolarHBondContact O-CB 3.39Å; F25-T56 PolarHBondContact N-O 3.01Å; F25-T56 PolarHBondContact O-N 3.16Å; F25-V58 HydrophobicContact CB-CB 4.3Å; F25-V58 HydrophobicContact CB-CG1 3.67Å; F25-V58 HydrophobicContact CB-CG2 3.6Å; F25-V58 HydrophobicContact CD1-CG1 4.24Å; F25-V58 HydrophobicContact CG-CG1 4.33Å; F25-I72 HydrophobicContact CD1-CG2 4.37Å; F25-I72 HydrophobicContact CD2-CD1 4.41Å; F25-I72 HydrophobicContact CE2-CD1 4.37Å; F25-I72 HydrophobicContact CG-CG2 4.36Å; F25-L81 HydrophobicContact CD1-CD1 4.28Å; F25-I82 HydrophobicContact CE1-CD1 3.71Å; F25-I82 HydrophobicContact CE2-CD1 4.01Å; F25-I82 HydrophobicContact CZ-CD1 3.22Å; F25-H132 HydrophobicContact CE2-CB 3.86Å; F25-H132 AromaticContact CE2-ND1 3.94Å; F25-H132 AromaticContact CZ-ND1 3.96Å; F25-V133 WeakPolarHBondContact CD2-O 3.43Å; F25-L134 HydrophobicContact CB-CD2 3.89Å; F25-L134 HydrophobicContact CD2-CD2 3.66Å; F25-L134 HydrophobicContact CG-CD2 4.17Å
26F89.2Confident82.8Confident17 Ų1753.9 Ų53.98%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-119.8125.6175.9-54.9-103.1000107.6Q24 P28 L47 D53 F55 Y103 V133 R135Q24-F26 HydrophobicContact CB-CE2 3.88Å; Q24-F26 HydrophobicContact CB-CZ 4.4Å; F26-P28 WeakPolarHBondContact O-CD 3.38Å; F26-L47 HydrophobicContact CD1-CD1 4.33Å; F26-L47 HydrophobicContact CD1-CD2 3.86Å; F26-L47 HydrophobicContact CE1-CD2 4.14Å; F26-L47 HydrophobicContact CG-CD1 4.25Å; F26-D53 HydrophobicContact CD1-CB 4.46Å; F26-D53 HydrophobicContact CE1-CB 4.32Å; F26-F55 HydrophobicContact CD1-CB 4.01Å; F26-F55 HydrophobicContact CD2-CB 4.37Å; F26-F55 HydrophobicContact CE1-CB 3.72Å; F26-F55 HydrophobicContact CE1-CD1 4.26Å; F26-F55 HydrophobicContact CE1-CG 4.43Å; F26-F55 HydrophobicContact CE2-CB 4.07Å; F26-F55 HydrophobicContact CG-CB 4.34Å; F26-F55 HydrophobicContact CZ-CB 3.74Å; F26-F55 HydrophobicContact CZ-CD1 4.15Å; F26-F55 HydrophobicContact CZ-CG 4.22Å; F26-Y103 HydrophobicContact CE2-CE1 4.21Å; F26-V133 HydrophobicContact CB-CB 4.17Å; F26-V133 HydrophobicContact CB-CG1 4.42Å; F26-V133 HydrophobicContact CD2-CG1 4.38Å; F26-V133 PolarHBondContact N-O 3.33Å; F26-V133 PolarHBondContact O-N 3.18Å; F26-R135 HydrophobicContact CE2-CB 3.84Å
27S80.3Confident82.7Confident72 Ų7257 Ų5750%0.50330%0.301SS..  trans-103.992.3176.5-167.40000109.5N29S27-N29 PolarHBondContact O-N 3.27Å
28P77.9Confident82.6Confident13 Ų1361.4 Ų61.48%0.08432%0.323CS..  trans-68.9122.6174.827.2-33.3000110.4F26 I30 M32 T131 V133F26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-I30 HydrophobicContact CB-CB 4.46Å; P28-I30 PolarHBondContact O-N 2.91Å; P28-M32 HydrophobicContact CB-SD 4.15Å; P28-M32 HydrophobicContact CG-SD 3.86Å; P28-T131 WeakPolarHBondContact CD-O 3.4Å; P28-T131 HydrophobicContact CG-CG2 4.3Å; P28-T131 WeakPolarHBondContact CG-O 3.46Å; P28-V133 HydrophobicContact CG-CG2 4.27Å
29N70.7Confident82.4Confident165 Ų16565 Ų6588%0.88234%0.339SS*.SBendtrans-75.845.7166.7-74.5-16.9000111.4S27S27-N29 PolarHBondContact O-N 3.27Å
30I73.1Confident82.1Confident83 Ų8362.7 Ų62.743%0.42633%0.331SS..SBendtrans-137.5127.8-176.4-57.3176000107P28 M32 W35P28-I30 HydrophobicContact CB-CB 4.46Å; P28-I30 PolarHBondContact O-N 2.91Å; I30-M32 HydrophobicContact CB-CG 4.38Å; I30-M32 HydrophobicContact CG2-CG 4.14Å; I30-M32 PolarHBondContact O-N 3.21Å; I30-W35 HydrophobicContact CG2-CZ2 3.85Å
31D72.8Confident81.9Confident85 Ų8562.9 Ų62.946%0.45533%0.333SS..  trans-70.9113.1167.6-175.5-1.8000109S33 W35D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.93Å; D31-S33 PolarHBondContact OD1-OG 3.41Å; D31-S33 PolarHBondContact OD2-OG 3.17Å; D31-W35 PolarHBondContact O-NE1 2.85Å
32M75.6Confident81.9Confident0 Ų067 Ų670%035%0.35CS..  trans-10711.2178.4-49.8170.782.800111.7P28 I30 S34 W35 Y43 L105 T131P28-M32 HydrophobicContact CB-SD 4.15Å; P28-M32 HydrophobicContact CG-SD 3.86Å; I30-M32 HydrophobicContact CB-CG 4.38Å; I30-M32 HydrophobicContact CG2-CG 4.14Å; I30-M32 PolarHBondContact O-N 3.21Å; M32-S34 VanDerWaalsContact C-N 3.27Å; M32-S34 PolarHBondContact O-N 2.88Å; M32-W35 HydrophobicContact CB-CB 4.45Å; M32-W35 HydrophobicContact CB-CD2 3.94Å; M32-W35 HydrophobicContact CB-CE3 4.4Å; M32-W35 HydrophobicContact CB-CG 3.97Å; M32-W35 HydrophobicContact CE-CD2 4.18Å; M32-W35 HydrophobicContact CE-CE3 3.48Å; M32-W35 VanDerWaalsContact CE-CE3 3.48Å; M32-W35 HydrophobicContact CE-CH2 3.79Å; M32-W35 HydrophobicContact CE-CZ2 4.43Å; M32-W35 HydrophobicContact CE-CZ3 3.27Å; M32-W35 HydrophobicContact CG-CD2 4.13Å; M32-W35 HydrophobicContact CG-CE3 4.37Å; M32-W35 HydrophobicContact CG-CH2 4.45Å; M32-W35 HydrophobicContact CG-CZ2 4.2Å; M32-W35 WeakPolarHBondContact O-CB 3.49Å; M32-W35 PolarHBondContact O-N 3.41Å; M32-W35 VanDerWaalsContact O-N 3.09Å; M32-Y43 HydrophobicContact CE-CD1 3.46Å; M32-Y43 VanDerWaalsContact CE-CD1 3.46Å; M32-Y43 HydrophobicContact CE-CD2 4.45Å; M32-Y43 HydrophobicContact CE-CE1 3.99Å; M32-Y43 HydrophobicContact CE-CG 3.72Å; M32-Y43 HydrophobicContact SD-CD1 4.44Å; M32-Y43 HydrophobicContact SD-CE1 4.42Å; M32-L105 HydrophobicContact CB-CD1 4.38Å; M32-L105 HydrophobicContact CE-CD1 3.8Å; M32-L105 HydrophobicContact SD-CD1 3.85Å; M32-T131 HydrophobicContact CB-CG2 4.01Å; M32-T131 HydrophobicContact CG-CG2 4.17Å; M32-T131 HydrophobicContact SD-CG2 3.66Å
33S71.4Confident82Confident41 Ų4164.8 Ų64.829%0.28734%0.335SS..THydrogen-bonded Turntrans-61.1-33.4-176.262.80000113.4D31D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.93Å; D31-S33 PolarHBondContact OD1-OG 3.41Å; D31-S33 PolarHBondContact OD2-OG 3.17Å
34S75.8Confident82Confident103 Ų10364.6 Ų64.672%0.7233%0.334SS*.THydrogen-bonded Turntrans-84.5-4.2177.7720000114.3M32M32-S34 VanDerWaalsContact C-N 3.27Å; M32-S34 PolarHBondContact O-N 2.88Å
35W80.4Confident81.7Confident68 Ų6865.6 Ų65.626%0.25834%0.338SS..  trans-77.9135-168.4-71.628.6000112.3I30 D31 M32 E39 V40 Y43I30-W35 HydrophobicContact CG2-CZ2 3.85Å; D31-W35 PolarHBondContact O-NE1 2.85Å; M32-W35 HydrophobicContact CB-CB 4.45Å; M32-W35 HydrophobicContact CB-CD2 3.94Å; M32-W35 HydrophobicContact CB-CE3 4.4Å; M32-W35 HydrophobicContact CB-CG 3.97Å; M32-W35 HydrophobicContact CE-CD2 4.18Å; M32-W35 HydrophobicContact CE-CE3 3.48Å; M32-W35 VanDerWaalsContact CE-CE3 3.48Å; M32-W35 HydrophobicContact CE-CH2 3.79Å; M32-W35 HydrophobicContact CE-CZ2 4.43Å; M32-W35 HydrophobicContact CE-CZ3 3.27Å; M32-W35 HydrophobicContact CG-CD2 4.13Å; M32-W35 HydrophobicContact CG-CE3 4.37Å; M32-W35 HydrophobicContact CG-CH2 4.45Å; M32-W35 HydrophobicContact CG-CZ2 4.2Å; M32-W35 WeakPolarHBondContact O-CB 3.49Å; M32-W35 PolarHBondContact O-N 3.41Å; M32-W35 VanDerWaalsContact O-N 3.09Å; W35-E39 WeakPolarHBondContact CA-OE2 3.48Å; W35-E39 HydrophobicContact CB-CB 4.07Å; W35-E39 HydrophobicContact CD2-CB 4.06Å; W35-E39 HydrophobicContact CE3-CB 3.7Å; W35-E39 HydrophobicContact CG-CB 4.24Å; W35-E39 HydrophobicContact CZ3-CB 4.42Å; W35-V40 HydrophobicContact CB-CG2 3.97Å; W35-V40 HydrophobicContact CE3-CG2 4.46Å; W35-Y43 HydrophobicContact CZ3-CG 4.3Å
36N81Confident81.5Confident79 Ų7968.1 Ų68.142%0.42236%0.355SS..  trans-77.5166.3173.272.363.1000111.6N38 E39 V40N36-N38 PolarHBondContact O-N 3.23Å; N36-N38 VanDerWaalsContact O-N 3.13Å; N36-N38 WeakPolarHBondContact OD1-CA 3.37Å; N36-N38 VanDerWaalsContact OD1-CB 3.32Å; N36-N38 WeakPolarHBondContact OD1-CB 3.33Å; N36-N38 PolarHBondContact OD1-N 2.99Å; N36-E39 VanDerWaalsContact CG-OE2 3.26Å; N36-E39 PolarHBondContact N-OE2 3.1Å; N36-E39 PolarHBondContact ND2-OE1 2.98Å; N36-E39 PolarHBondContact ND2-OE2 2.87Å; N36-E39 PolarHBondContact O-N 3.43Å; N36-E39 PolarHBondContact OD1-N 3.34Å; N36-V40 PolarHBondContact O-N 2.93Å; N36-V40 VanDerWaalsContact O-N 3.09Å
37K80Confident81.4Confident175 Ų17567.5 Ų67.576%0.76135%0.353SS*.Hα-helixtrans-53.9-35.2-179.1-77.6-178.9178.9171.40113.8N41K37-N41 WeakPolarHBondContact O-CB 3.25Å; K37-N41 PolarHBondContact O-N 3.44Å
38N83.8Confident81.7Confident114 Ų11466.2 Ų66.261%0.6134%0.338SS*.Hα-helixtrans-73.5-33.9-179.5-67.9-17.6000111.9N36 K42N36-N38 PolarHBondContact O-N 3.23Å; N36-N38 VanDerWaalsContact O-N 3.13Å; N36-N38 WeakPolarHBondContact OD1-CA 3.37Å; N36-N38 VanDerWaalsContact OD1-CB 3.32Å; N36-N38 WeakPolarHBondContact OD1-CB 3.33Å; N36-N38 PolarHBondContact OD1-N 2.99Å; N38-K42 WeakPolarHBondContact O-CB 3.47Å; N38-K42 VanDerWaalsContact O-CG 3.25Å; N38-K42 WeakPolarHBondContact O-CG 3.47Å; N38-K42 PolarHBondContact O-N 3Å
39E85.5Confident81.9Confident76 Ų7671.6 Ų71.636%0.35537%0.366SS..Hα-helixtrans-69.4-46.7176.3-70.3162.2160.300111W35 N36 N41 K42 Y43W35-E39 WeakPolarHBondContact CA-OE2 3.48Å; W35-E39 HydrophobicContact CB-CB 4.07Å; W35-E39 HydrophobicContact CD2-CB 4.06Å; W35-E39 HydrophobicContact CE3-CB 3.7Å; W35-E39 HydrophobicContact CG-CB 4.24Å; W35-E39 HydrophobicContact CZ3-CB 4.42Å; N36-E39 VanDerWaalsContact CG-OE2 3.26Å; N36-E39 PolarHBondContact N-OE2 3.1Å; N36-E39 PolarHBondContact ND2-OE1 2.98Å; N36-E39 PolarHBondContact ND2-OE2 2.87Å; N36-E39 PolarHBondContact O-N 3.43Å; N36-E39 PolarHBondContact OD1-N 3.34Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.3Å; E39-K42 WeakPolarHBondContact O-CB 3.2Å; E39-K42 PolarHBondContact O-N 3.41Å; E39-Y43 PolarHBondContact O-N 3.48Å
40V85.6Confident82.2Confident5 Ų567.4 Ų67.43%0.0334%0.344CS..Hα-helixtrans-56.1-46.8172.5171.90000110.8W35 N36 K42 Y43 F44 L105W35-V40 HydrophobicContact CB-CG2 3.97Å; W35-V40 HydrophobicContact CE3-CG2 4.46Å; N36-V40 PolarHBondContact O-N 2.93Å; N36-V40 VanDerWaalsContact O-N 3.09Å; V40-K42 PolarHBondContact O-N 2.9Å; V40-Y43 PolarHBondContact O-N 3.08Å; V40-F44 HydrophobicContact CG1-CD2 4.13Å; V40-F44 HydrophobicContact CG1-CE1 4.17Å; V40-F44 HydrophobicContact CG1-CE2 3.46Å; V40-F44 VanDerWaalsContact CG1-CE2 3.46Å; V40-F44 HydrophobicContact CG1-CZ 3.5Å; V40-F44 WeakPolarHBondContact O-CG 3.4Å; V40-F44 PolarHBondContact O-N 3.13Å; V40-L105 HydrophobicContact CB-CD1 4.47Å; V40-L105 HydrophobicContact CG1-CB 4.29Å; V40-L105 HydrophobicContact CG1-CD1 3.82Å; V40-L105 HydrophobicContact CG2-CD1 3.95Å
41N86.7Confident81.7Confident15 Ų1570.2 Ų70.28%0.0836%0.355CS..Hα-helixtrans-68.3-35.2-178.7-152.364.7000112.6K37 E39 Y43 F44 H45 G95 S96 D97 T100K37-N41 WeakPolarHBondContact O-CB 3.25Å; K37-N41 PolarHBondContact O-N 3.44Å; E39-N41 VanDerWaalsContact C-N 3.3Å; E39-N41 PolarHBondContact O-N 3.3Å; N41-Y43 VanDerWaalsContact C-N 3.34Å; N41-F44 PolarHBondContact O-N 3.44Å; N41-H45 PolarHBondContact O-CD2 2.94Å; N41-H45 VanDerWaalsContact O-CD2 3.26Å; N41-H45 PolarHBondContact O-N 3.05Å; N41-G95 VanDerWaalsContact OD1-CA 3.24Å; N41-G95 WeakPolarHBondContact OD1-CA 3.48Å; N41-S96 VanDerWaalsContact CG-OG 3.29Å; N41-S96 PolarHBondContact ND2-OG 3.1Å; N41-S96 VanDerWaalsContact ND2-OG 3.11Å; N41-S96 PolarHBondContact OD1-N 3.21Å; N41-S96 PolarHBondContact OD1-OG 3.43Å; N41-D97 PolarHBondContact ND2-OD2 2.87Å; N41-T100 PolarHBondContact OD1-OG1 2.75Å
42K87.7Confident80.9Confident147 Ų14772.3 Ų72.364%0.63937%0.372SS*.Hα-helixtrans-60.9-40.6170.6-79.5172-178.8-179.70112N38 E39 V40 H45 V46N38-K42 WeakPolarHBondContact O-CB 3.47Å; N38-K42 VanDerWaalsContact O-CG 3.25Å; N38-K42 WeakPolarHBondContact O-CG 3.47Å; N38-K42 PolarHBondContact O-N 3Å; E39-K42 WeakPolarHBondContact O-CB 3.2Å; E39-K42 PolarHBondContact O-N 3.41Å; V40-K42 PolarHBondContact O-N 2.9Å; K42-H45 WeakPolarHBondContact O-CB 3.47Å; K42-H45 PolarHBondContact O-N 3.31Å; K42-V46 PolarHBondContact O-N 3.44Å
43Y88.7Confident80.3Confident40 Ų4075.4 Ų75.416%0.15739%0.388CS..Hα-helixtrans-70-36.5177.5177.6-99.5000112.7M32 W35 E39 V40 N41 H45 V46 L47 V133M32-Y43 HydrophobicContact CE-CD1 3.46Å; M32-Y43 VanDerWaalsContact CE-CD1 3.46Å; M32-Y43 HydrophobicContact CE-CD2 4.45Å; M32-Y43 HydrophobicContact CE-CE1 3.99Å; M32-Y43 HydrophobicContact CE-CG 3.72Å; M32-Y43 HydrophobicContact SD-CD1 4.44Å; M32-Y43 HydrophobicContact SD-CE1 4.42Å; W35-Y43 HydrophobicContact CZ3-CG 4.3Å; E39-Y43 PolarHBondContact O-N 3.48Å; V40-Y43 PolarHBondContact O-N 3.08Å; N41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-H45 VanDerWaalsContact C-N 3.28Å; Y43-H45 PolarHBondContact O-N 3.31Å; Y43-V46 WeakPolarHBondContact O-CA 3.36Å; Y43-V46 WeakPolarHBondContact O-CB 3.41Å; Y43-V46 PolarHBondContact O-N 2.89Å; Y43-L47 HydrophobicContact CD1-CD1 4.12Å; Y43-L47 HydrophobicContact CD1-CG 4.37Å; Y43-L47 HydrophobicContact CE1-CD1 3.62Å; Y43-L47 HydrophobicContact CE1-CD2 4.35Å; Y43-L47 HydrophobicContact CE1-CG 3.97Å; Y43-L47 PolarHBondContact O-N 2.96Å; Y43-V133 HydrophobicContact CE1-CG2 4.2Å
44F90.7Very high80.4Confident0 Ų079.7 Ų79.70%042%0.417CS..Hα-helixtrans-60.8-36.4168.9-61.6-27.6000112.5V40 N41 V46 L47 E48 T100 Y103 L105 V133V40-F44 HydrophobicContact CG1-CD2 4.13Å; V40-F44 HydrophobicContact CG1-CE1 4.17Å; V40-F44 HydrophobicContact CG1-CE2 3.46Å; V40-F44 VanDerWaalsContact CG1-CE2 3.46Å; V40-F44 HydrophobicContact CG1-CZ 3.5Å; V40-F44 WeakPolarHBondContact O-CG 3.4Å; V40-F44 PolarHBondContact O-N 3.13Å; N41-F44 PolarHBondContact O-N 3.44Å; F44-V46 VanDerWaalsContact C-N 3.34Å; F44-L47 PolarHBondContact O-N 3.26Å; F44-E48 WeakPolarHBondContact O-CB 3.45Å; F44-E48 PolarHBondContact O-N 2.94Å; F44-T100 HydrophobicContact CB-CG2 3.49Å; F44-T100 VanDerWaalsContact CB-CG2 3.49Å; F44-Y103 HydrophobicContact CB-CD2 4.18Å; F44-Y103 HydrophobicContact CB-CG 4.2Å; F44-Y103 AromaticContact CD1-CD1 4Å; F44-Y103 HydrophobicContact CD1-CD1 4Å; F44-Y103 AromaticContact CD1-CG 3.87Å; F44-Y103 HydrophobicContact CD1-CG 3.87Å; F44-Y103 HydrophobicContact CE1-CD1 4.46Å; F44-Y103 HydrophobicContact CE1-CG 4.35Å; F44-Y103 HydrophobicContact CG-CD2 4.4Å; F44-Y103 AromaticContact CG-CG 3.98Å; F44-Y103 HydrophobicContact CG-CG 3.98Å; F44-L105 HydrophobicContact CE1-CB 4.07Å; F44-L105 HydrophobicContact CZ-CB 3.65Å; F44-V133 HydrophobicContact CD1-CG1 4.24Å; F44-V133 HydrophobicContact CE1-CG1 3.8Å; F44-V133 HydrophobicContact CE1-CG2 4.22Å
45H88.1Confident80.8Confident65 Ų6578.3 Ų78.330%0.30140%0.398SS..Hα-helixtrans-64.4-36.2170-85.3-72.9000112.7N41 K42 Y43 N49 D97 T100N41-H45 PolarHBondContact O-CD2 2.94Å; N41-H45 VanDerWaalsContact O-CD2 3.26Å; N41-H45 PolarHBondContact O-N 3.05Å; K42-H45 WeakPolarHBondContact O-CB 3.47Å; K42-H45 PolarHBondContact O-N 3.31Å; Y43-H45 VanDerWaalsContact C-N 3.28Å; Y43-H45 PolarHBondContact O-N 3.31Å; H45-N49 WeakPolarHBondContact O-CB 3.5Å; H45-N49 PolarHBondContact O-N 3.5Å; H45-N49 PolarHBondContact O-ND2 3.44Å; H45-D97 IonicContact CD2-OD2 3.22Å; H45-D97 IonicContact CE1-OD1 3.99Å; H45-D97 IonicContact CE1-OD2 3.37Å; H45-D97 IonicContact NE2-OD1 3.78Å; H45-D97 PolarHBondContact NE2-OD1 3.23Å; H45-D97 IonicContact NE2-OD2 3.8Å; H45-D97 PolarHBondContact NE2-OD2 3.04Å; H45-T100 VanDerWaalsContact CD2-CG2 3.49Å; H45-T100 WeakPolarHBondContact CD2-CG2 3.27Å
46V86.6Confident81.2Confident68 Ų6877.4 Ų77.441%0.41240%0.4SS..Hα-helixtrans-63.5-47174.2173.70000110.5K42 Y43 F44 E48 N49 N50K42-V46 PolarHBondContact O-N 3.44Å; Y43-V46 WeakPolarHBondContact O-CA 3.36Å; Y43-V46 WeakPolarHBondContact O-CB 3.41Å; Y43-V46 PolarHBondContact O-N 2.89Å; F44-V46 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 3.49Å; V46-N49 PolarHBondContact O-N 3.07Å; V46-N50 VanDerWaalsContact O-CB 3.26Å; V46-N50 WeakPolarHBondContact O-CB 3.37Å; V46-N50 PolarHBondContact O-N 3.39Å
47L87.7Confident81.7Confident4 Ų476 Ų762%0.02139%0.394CS..Hα-helixtrans-61.6-42.6176.3-67.4179.6000112.8F26 Y43 F44 N49 N50 D53 Y103 V133F26-L47 HydrophobicContact CD1-CD1 4.33Å; F26-L47 HydrophobicContact CD1-CD2 3.86Å; F26-L47 HydrophobicContact CE1-CD2 4.14Å; F26-L47 HydrophobicContact CG-CD1 4.25Å; Y43-L47 HydrophobicContact CD1-CD1 4.12Å; Y43-L47 HydrophobicContact CD1-CG 4.37Å; Y43-L47 HydrophobicContact CE1-CD1 3.62Å; Y43-L47 HydrophobicContact CE1-CD2 4.35Å; Y43-L47 HydrophobicContact CE1-CG 3.97Å; Y43-L47 PolarHBondContact O-N 2.96Å; F44-L47 PolarHBondContact O-N 3.26Å; L47-N49 VanDerWaalsContact C-N 3.34Å; L47-N49 PolarHBondContact O-N 2.94Å; L47-N50 CarbonylContact O-C 3.3Å; L47-N50 PolarHBondContact O-N 3.17Å; L47-D53 HydrophobicContact CD2-CB 4.42Å; L47-D53 WeakPolarHBondContact CD2-OD2 3.39Å; L47-Y103 HydrophobicContact CB-CE1 3.88Å; L47-Y103 HydrophobicContact CD1-CD1 4.14Å; L47-Y103 HydrophobicContact CD1-CE1 3.78Å; L47-V133 HydrophobicContact CD1-CG1 3.76Å
48E85.3Confident82.3Confident44 Ų4467.7 Ų67.721%0.20636%0.358CS..Hα-helixtrans-70-31.3-178.2-166.162.3-15800112.6F44 V46 Q51 Y103 R135F44-E48 WeakPolarHBondContact O-CB 3.45Å; F44-E48 PolarHBondContact O-N 2.94Å; V46-E48 PolarHBondContact O-N 3.49Å; E48-Q51 WeakPolarHBondContact O-CG 3.41Å; E48-Y103 HydrophobicContact CB-CE2 4.25Å; E48-Y103 WeakPolarHBondContact OE2-CE2 3.38Å; E48-Y103 VanDerWaalsContact OE2-CZ 3.3Å; E48-Y103 PolarHBondContact OE2-OH 3.15Å; E48-R135 IonicContact OE1-CZ 3.47Å; E48-R135 IonicContact OE1-NH2 2.97Å; E48-R135 PolarHBondContact OE1-NH2 2.97Å; E48-R135 IonicContact OE2-CZ 3.08Å; E48-R135 VanDerWaalsContact OE2-CZ 3.27Å; E48-R135 IonicContact OE2-NE 3.44Å; E48-R135 PolarHBondContact OE2-NE 3.18Å; E48-R135 IonicContact OE2-NH2 3.83Å; E48-R135 PolarHBondContact OE2-NH2 3.26Å
49N83.2Confident82.8Confident126 Ų12662.8 Ų62.867%0.67433%0.332SS*.Hα-helixtrans-80.1-37.4173.3-71.8-57.1000112.4H45 V46 L47 Q51H45-N49 WeakPolarHBondContact O-CB 3.5Å; H45-N49 PolarHBondContact O-N 3.5Å; H45-N49 PolarHBondContact O-ND2 3.44Å; V46-N49 PolarHBondContact O-N 3.07Å; L47-N49 VanDerWaalsContact C-N 3.34Å; L47-N49 PolarHBondContact O-N 2.94Å; N49-Q51 PolarHBondContact O-N 2.93Å
50N76.7Confident83.2Confident78 Ų7859.2 Ų59.242%0.41732%0.315SS..  trans-93.664.1177.6-66-15.5000111.3V46 L47 T52 D53V46-N50 VanDerWaalsContact O-CB 3.26Å; V46-N50 WeakPolarHBondContact O-CB 3.37Å; V46-N50 PolarHBondContact O-N 3.39Å; L47-N50 CarbonylContact O-C 3.3Å; L47-N50 PolarHBondContact O-N 3.17Å; N50-T52 PolarHBondContact O-N 3.44Å; N50-D53 PolarHBondContact O-N 3.02Å; N50-D53 VanDerWaalsContact O-N 3.1Å
51Q61.8Low83.5Confident141 Ų14160 Ų6066%0.65932%0.319SS*.THydrogen-bonded Turntrans-58.6-3.2178-64.7-170.3-11.700115.2E48 N49E48-Q51 WeakPolarHBondContact O-CG 3.41Å; N49-Q51 PolarHBondContact O-N 2.93Å
52T56.5Low83.8Confident130 Ų13059.2 Ų59.280%0.79832%0.315SS*.THydrogen-bonded Turntrans-87.5-4175.949.90000114.9N50N50-T52 PolarHBondContact O-N 3.44Å
53D62.2Low83.9Confident64 Ų6452.4 Ų52.434%0.34229%0.285SS..SBendtrans-66.1137.6177.1-80.9-17.6000111.6F26 L47 N50 F55F26-D53 HydrophobicContact CD1-CB 4.46Å; F26-D53 HydrophobicContact CE1-CB 4.32Å; L47-D53 HydrophobicContact CD2-CB 4.42Å; L47-D53 WeakPolarHBondContact CD2-OD2 3.39Å; N50-D53 PolarHBondContact O-N 3.02Å; N50-D53 VanDerWaalsContact O-N 3.1Å; D53-F55 WeakPolarHBondContact O-CD1 3.33Å; D53-F55 PolarHBondContact O-N 2.92Å
54C73.9Confident83.7Confident132 Ų13252.5 Ų52.589%0.89229%0.291SS*.  trans-76.687.5-170.1-160.10000111.1
55F85.4Confident83.4Confident73 Ų7355 Ų5532%0.3230%0.304SS..PPolyproline II helixtrans-85.1151.4172.664.7-94.6000112Q24 F25 F26 D53 V57Q24-F55 HydrophobicContact CB-CB 4.19Å; Q24-F55 HydrophobicContact CB-CD2 3.77Å; Q24-F55 HydrophobicContact CB-CE2 4.38Å; Q24-F55 HydrophobicContact CB-CG 4Å; Q24-F55 HydrophobicContact CG-CD2 3.62Å; Q24-F55 HydrophobicContact CG-CE2 3.73Å; Q24-F55 HydrophobicContact CG-CG 4.19Å; Q24-F55 HydrophobicContact CG-CZ 4.36Å; F25-F55 VanDerWaalsContact O-CA 3.29Å; F25-F55 WeakPolarHBondContact O-CA 3.2Å; F25-F55 WeakPolarHBondContact O-CB 3.39Å; F26-F55 HydrophobicContact CD1-CB 4.01Å; F26-F55 HydrophobicContact CD2-CB 4.37Å; F26-F55 HydrophobicContact CE1-CB 3.72Å; F26-F55 HydrophobicContact CE1-CD1 4.26Å; F26-F55 HydrophobicContact CE1-CG 4.43Å; F26-F55 HydrophobicContact CE2-CB 4.07Å; F26-F55 HydrophobicContact CG-CB 4.34Å; F26-F55 HydrophobicContact CZ-CB 3.74Å; F26-F55 HydrophobicContact CZ-CD1 4.15Å; F26-F55 HydrophobicContact CZ-CG 4.22Å; D53-F55 WeakPolarHBondContact O-CD1 3.33Å; D53-F55 PolarHBondContact O-N 2.92Å; F55-V57 HydrophobicContact CD2-CG2 4.24Å; F55-V57 HydrophobicContact CE2-CG2 3.9Å
56T88.6Confident83.1Confident50 Ų5057.2 Ų57.231%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-101.3138.9167.5-55.10000109F25 V58 D74 L81F25-T56 PolarHBondContact N-O 3.01Å; F25-T56 PolarHBondContact O-N 3.16Å; T56-V58 HydrophobicContact CG2-CG1 4Å; T56-D74 WeakPolarHBondContact CG2-OD2 3.27Å; T56-L81 HydrophobicContact CG2-CD1 4.02Å
57V91.2Very high82.9Confident49 Ų4962 Ų6230%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-82.9124.3171.2-175.70000108.1I23 F55 S75I23-V57 CarbonylContact O-C 3.57Å; I23-V57 WeakPolarHBondContact O-CA 3.46Å; F55-V57 HydrophobicContact CD2-CG2 4.24Å; F55-V57 HydrophobicContact CE2-CG2 3.9Å; V57-S75 WeakPolarHBondContact CG1-OG 3.24Å; V57-S75 VanDerWaalsContact O-CB 3.28Å; V57-S75 WeakPolarHBondContact O-CB 3.46Å; V57-S75 PolarHBondContact O-N 2.88Å; V57-S75 PolarHBondContact O-OG 3.19Å
58V93.4Very high82.8Confident0 Ų062.3 Ų62.30%033%0.331CS..EExtended strand (participates in β ladder)trans-128.6156.8-171-59.80000111.9I23 F25 T56 I72 T73 L81 L134I23-V58 HydrophobicContact CB-CG2 3.96Å; I23-V58 HydrophobicContact CG2-CG2 4.05Å; I23-V58 PolarHBondContact N-O 3.25Å; I23-V58 VanDerWaalsContact N-O 3.12Å; I23-V58 WeakPolarHBondContact O-CG2 3.38Å; I23-V58 PolarHBondContact O-N 3.36Å; F25-V58 HydrophobicContact CB-CB 4.3Å; F25-V58 HydrophobicContact CB-CG1 3.67Å; F25-V58 HydrophobicContact CB-CG2 3.6Å; F25-V58 HydrophobicContact CD1-CG1 4.24Å; F25-V58 HydrophobicContact CG-CG1 4.33Å; T56-V58 HydrophobicContact CG2-CG1 4Å; V58-I72 HydrophobicContact CB-CG2 3.73Å; V58-I72 HydrophobicContact CG1-CG2 3.74Å; V58-I72 HydrophobicContact CG2-CG2 3.8Å; V58-T73 CarbonylContact C-O 3.57Å; V58-T73 WeakPolarHBondContact CA-O 3.39Å; V58-T73 WeakPolarHBondContact CB-O 3.41Å; V58-L81 HydrophobicContact CG1-CD1 3.64Å; V58-L134 HydrophobicContact CG2-CD2 4.39Å
59N92.6Very high83.1Confident12 Ų1264.7 Ų64.76%0.06434%0.344CS..EExtended strand (participates in β ladder)trans-100.2128.9159.6-46.1-64.2000108.6F20 L61 T73 S75 K78F20-N59 CarbonylContact O-C 3.54Å; F20-N59 VanDerWaalsContact O-CA 3.27Å; F20-N59 WeakPolarHBondContact O-CA 3.4Å; N59-L61 HydrophobicContact CB-CD1 4.18Å; N59-L61 WeakPolarHBondContact O-CD1 3.25Å; N59-T73 PolarHBondContact N-O 3.12Å; N59-T73 PolarHBondContact O-N 2.91Å; N59-T73 PolarHBondContact O-OG1 3.15Å; N59-T73 VanDerWaalsContact O-OG1 3.1Å; N59-S75 WeakPolarHBondContact ND2-CA 3.39Å; N59-K78 PolarHBondContact ND2-NZ 2.96Å
60L93.7Very high83.6Confident0 Ų058.7 Ų58.70%031%0.312CS..EExtended strand (participates in β ladder)trans-93.4120.2172177.870000109F20 I23 I62 L70 I72 L134 I145F20-L60 HydrophobicContact CB-CB 4.34Å; F20-L60 PolarHBondContact N-O 2.86Å; F20-L60 PolarHBondContact O-N 3.35Å; I23-L60 HydrophobicContact CD1-CB 3.52Å; I23-L60 HydrophobicContact CD1-CD2 4.24Å; L60-I62 HydrophobicContact CD2-CD1 3.66Å; L60-I62 HydrophobicContact CD2-CG1 3.88Å; L60-I62 HydrophobicContact CG-CD1 4.16Å; L60-I62 HydrophobicContact CG-CG1 3.78Å; L60-L70 HydrophobicContact CD1-CD1 4.15Å; L60-L70 HydrophobicContact CD1-CD2 3.61Å; L60-L70 HydrophobicContact CD1-CG 3.91Å; L60-I72 HydrophobicContact CD1-CG1 3.83Å; L60-L134 HydrophobicContact CD1-CD1 4.35Å; L60-L134 HydrophobicContact CD2-CD1 3.91Å; L60-I145 HydrophobicContact CD2-CD1 3.89Å; L60-I145 HydrophobicContact CD2-CG1 4.15Å; L60-I145 HydrophobicContact CD2-CG2 3.76Å
61L93.3Very high84.3Confident21 Ų2155.8 Ų55.811%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-103.1115175.3-68.671000108Y19 N59 L70 C71 T73Y19-L61 HydrophobicContact CD1-CD1 4.14Å; Y19-L61 HydrophobicContact CD1-CD2 4.39Å; Y19-L61 HydrophobicContact CD1-CG 3.83Å; Y19-L61 HydrophobicContact CE1-CD1 3.98Å; Y19-L61 HydrophobicContact CE1-CD2 3.57Å; Y19-L61 HydrophobicContact CE1-CG 3.51Å; Y19-L61 HydrophobicContact CE2-CD2 4.35Å; Y19-L61 HydrophobicContact CE2-CG 4.33Å; Y19-L61 HydrophobicContact CG-CG 4.39Å; Y19-L61 WeakPolarHBondContact OH-CD2 3.4Å; N59-L61 HydrophobicContact CB-CD1 4.18Å; N59-L61 WeakPolarHBondContact O-CD1 3.25Å; L61-L70 WeakPolarHBondContact O-CA 3.24Å; L61-C71 HydrophobicContact CB-CB 4.19Å; L61-C71 PolarHBondContact N-O 2.82Å; L61-C71 PolarHBondContact O-N 2.93Å; L61-T73 HydrophobicContact CD1-CG2 3.99Å; L61-T73 WeakPolarHBondContact CD1-OG1 3.43Å
62I91.7Very high85.8Confident0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-110.2117.6178.9-42.2-175.4000108.8C17 I18 F20 L60 L86 I145 V148 I149 I152C17-I62 CarbonylContact C-O 3.54Å; C17-I62 WeakPolarHBondContact CA-O 3.27Å; I18-I62 PolarHBondContact N-O 2.86Å; I18-I62 PolarHBondContact O-N 2.92Å; F20-I62 HydrophobicContact CD2-CD1 3.91Å; F20-I62 HydrophobicContact CD2-CG1 4.23Å; F20-I62 HydrophobicContact CE2-CD1 3.48Å; F20-I62 VanDerWaalsContact CE2-CD1 3.48Å; F20-I62 HydrophobicContact CE2-CG1 4.11Å; F20-I62 HydrophobicContact CZ-CD1 4.38Å; L60-I62 HydrophobicContact CD2-CD1 3.66Å; L60-I62 HydrophobicContact CD2-CG1 3.88Å; L60-I62 HydrophobicContact CG-CD1 4.16Å; L60-I62 HydrophobicContact CG-CG1 3.78Å; I62-L86 HydrophobicContact CG2-CD1 3.97Å; I62-I145 HydrophobicContact CD1-CG2 4.17Å; I62-V148 HydrophobicContact CB-CG1 4.25Å; I62-V148 HydrophobicContact CD1-CG1 4.03Å; I62-V148 HydrophobicContact CG2-CG1 3.97Å; I62-I149 HydrophobicContact CD1-CD1 4.01Å; I62-I149 HydrophobicContact CD1-CG1 3.73Å; I62-I149 HydrophobicContact CG2-CG1 3.96Å; I62-I152 HydrophobicContact CG2-CD1 4.03Å
63P89.8Confident87.5Confident3 Ų343.5 Ų43.52%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-69144.5179.831-37000110.5N65 G68 I69 L86 I152P63-N65 PolarHBondContact O-N 2.94Å; P63-G68 VanDerWaalsContact CG-C 3.49Å; P63-I69 WeakPolarHBondContact CD-O 3.4Å; P63-L86 HydrophobicContact CG-CB 4.39Å; P63-I152 WeakPolarHBondContact O-CD1 3.46Å
64T86Confident88.9Confident43 Ų4341.8 Ų41.826%0.26422%0.223SC..SBendtrans-76.8-5.5178.855.80000114.3R16 I18 W167R16-T64 HydrophobicContact CB-CG2 4.23Å; R16-T64 WeakPolarHBondContact O-CB 3.49Å; R16-T64 VanDerWaalsContact O-CG2 3.24Å; R16-T64 WeakPolarHBondContact O-CG2 3.35Å; R16-T64 PolarHBondContact O-N 3.24Å; R16-T64 PolarHBondContact O-OG1 3.35Å; I18-T64 HydrophobicContact CG1-CG2 4.18Å; T64-W167 HydrophobicContact CG2-CZ2 3.94Å
65N83.8Confident89.5Confident51 Ų5136.6 Ų36.627%0.27319%0.188SC..SBendtrans-116.4145.4177.556.6-24.7000111.7S15 P63 E67 G68S15-N65 PolarHBondContact OG-ND2 3.3Å; P63-N65 PolarHBondContact O-N 2.94Å; N65-E67 VanDerWaalsContact C-N 3.27Å; N65-E67 PolarHBondContact O-N 3.3Å; N65-G68 PolarHBondContact O-N 3.32Å
66R82.2Confident89.6Confident112 Ų11240.3 Ų40.342%0.42321%0.21SC..THydrogen-bonded Turntrans-66.7-22.9-174.6-168.8174.2175.6-177.91.2114.9I152 I153R66-I152 HydrophobicContact CB-CG2 4.23Å; R66-I153 PolarHBondContact NE-O 3.39Å; R66-I153 PolarHBondContact NH1-O 2.67Å; R66-I153 PolarHBondContact NH2-O 3Å
67E82.8Confident89.5Confident170 Ų17041.4 Ų41.479%0.79422%0.219SC*.THydrogen-bonded Turntrans-88.5-4.1174.6-62.5-174.8167.500113.2N65N65-E67 VanDerWaalsContact C-N 3.27Å; N65-E67 PolarHBondContact O-N 3.3Å
68G85.6Confident89.2Confident9 Ų945.2 Ų45.29%0.09323%0.232CC..SBendtrans-71161.8178.400000112.9P63 N65 L86P63-G68 VanDerWaalsContact CG-C 3.49Å; N65-G68 PolarHBondContact O-N 3.32Å; G68-L86 PolarHBondContact O-N 3.37Å
69I91.1Very high88.9Confident95 Ų9551.5 Ų51.549%0.48726%0.261SS..EExtended strand (participates in β ladder)trans-92.3125.9176.3-57175.5000108.7P63 C83P63-I69 WeakPolarHBondContact CD-O 3.4Å; I69-C83 HydrophobicContact CG2-CB 3.82Å
70L92.6Very high88.7Confident0 Ų057.1 Ų57.10%029%0.287CS..EExtended strand (participates in β ladder)trans-79.9128.5167.3177.4158.8000108.2L60 L61 I72 C83 F84 L86 I89 I149L60-L70 HydrophobicContact CD1-CD1 4.15Å; L60-L70 HydrophobicContact CD1-CD2 3.61Å; L60-L70 HydrophobicContact CD1-CG 3.91Å; L61-L70 WeakPolarHBondContact O-CA 3.24Å; L70-I72 HydrophobicContact CD2-CG1 4.14Å; L70-C83 WeakPolarHBondContact O-CA 3.37Å; L70-F84 HydrophobicContact CB-CE2 4.32Å; L70-F84 HydrophobicContact CD1-CE2 4.42Å; L70-F84 HydrophobicContact CD1-CZ 4.46Å; L70-F84 HydrophobicContact CD2-CE1 4.07Å; L70-F84 HydrophobicContact CD2-CE2 4.14Å; L70-F84 HydrophobicContact CD2-CZ 3.69Å; L70-F84 PolarHBondContact N-O 3.22Å; L70-F84 PolarHBondContact O-N 3.17Å; L70-F84 VanDerWaalsContact O-N 3.12Å; L70-L86 HydrophobicContact CB-CD1 3.91Å; L70-L86 HydrophobicContact CD1-CD1 3.71Å; L70-L86 HydrophobicContact CG-CD1 4.42Å; L70-I89 HydrophobicContact CD1-CD1 4.17Å; L70-I149 HydrophobicContact CD1-CD1 4Å
71C93Very high88.4Confident16 Ų1660.4 Ų60.411%0.10830%0.304CS..EExtended strand (participates in β ladder)trans-120.7130-178.5-52.70000110.8L61 I82 C83L61-C71 HydrophobicContact CB-CB 4.19Å; L61-C71 PolarHBondContact N-O 2.82Å; L61-C71 PolarHBondContact O-N 2.93Å; C71-I82 CarbonylContact C-O 3.58Å; C71-I82 WeakPolarHBondContact CA-O 3.42Å; C71-C83 PolarHBondContact SG-SG 2.93Å
72I93.1Very high88.2Confident0 Ų060.8 Ų60.80%031%0.306CS..EExtended strand (participates in β ladder)trans-99.8118.8165.9-59.6174.1000106.7F25 V58 L60 L70 L81 I82 L134F25-I72 HydrophobicContact CD1-CG2 4.37Å; F25-I72 HydrophobicContact CD2-CD1 4.41Å; F25-I72 HydrophobicContact CE2-CD1 4.37Å; F25-I72 HydrophobicContact CG-CG2 4.36Å; V58-I72 HydrophobicContact CB-CG2 3.73Å; V58-I72 HydrophobicContact CG1-CG2 3.74Å; V58-I72 HydrophobicContact CG2-CG2 3.8Å; L60-I72 HydrophobicContact CD1-CG1 3.83Å; L70-I72 HydrophobicContact CD2-CG1 4.14Å; I72-L81 HydrophobicContact CG2-CD1 4.45Å; I72-L81 PolarHBondContact O-N 2.86Å; I72-I82 HydrophobicContact CB-CB 4.27Å; I72-I82 HydrophobicContact CD1-CB 4.36Å; I72-I82 HydrophobicContact CD1-CD1 4.22Å; I72-I82 HydrophobicContact CD1-CG2 4.5Å; I72-I82 PolarHBondContact N-O 2.69Å; I72-I82 PolarHBondContact O-N 2.89Å; I72-L134 HydrophobicContact CD1-CD2 4.32Å
73T92.5Very high88.2Confident14 Ų1463.5 Ų63.59%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-118.1138.5-178.854.80000110.7V58 N59 L61 S75 E79 Q80V58-T73 CarbonylContact C-O 3.57Å; V58-T73 WeakPolarHBondContact CA-O 3.39Å; V58-T73 WeakPolarHBondContact CB-O 3.41Å; N59-T73 PolarHBondContact N-O 3.12Å; N59-T73 PolarHBondContact O-N 2.91Å; N59-T73 PolarHBondContact O-OG1 3.15Å; N59-T73 VanDerWaalsContact O-OG1 3.1Å; L61-T73 HydrophobicContact CD1-CG2 3.99Å; L61-T73 WeakPolarHBondContact CD1-OG1 3.43Å; T73-S75 PolarHBondContact O-N 3.41Å; T73-E79 CarbonylContact C-O 3.57Å; T73-E79 VanDerWaalsContact CA-O 3.22Å; T73-E79 WeakPolarHBondContact CA-O 3.43Å; T73-Q80 HydrophobicContact CG2-CG 3.89Å
74D91Very high88.2Confident28 Ų2863.5 Ų63.515%0.1532%0.324CS..EExtended strand (participates in β ladder)trans-60.7135.9172.7177.1-84.3000110.4T56 I76 S77 K78 E79 L81T56-D74 WeakPolarHBondContact CG2-OD2 3.27Å; D74-I76 VanDerWaalsContact C-N 3.28Å; D74-I76 PolarHBondContact O-N 3.02Å; D74-I76 WeakPolarHBondContact OD1-CA 3.36Å; D74-I76 PolarHBondContact OD1-N 3.32Å; D74-S77 VanDerWaalsContact CB-OG 3.25Å; D74-S77 WeakPolarHBondContact CB-OG 3.38Å; D74-S77 PolarHBondContact OD1-N 2.87Å; D74-S77 PolarHBondContact OD1-OG 3.41Å; D74-K78 VanDerWaalsContact O-CA 3.29Å; D74-K78 WeakPolarHBondContact O-CA 3.35Å; D74-K78 PolarHBondContact O-N 3.29Å; D74-E79 PolarHBondContact N-O 3.44Å; D74-L81 HydrophobicContact CB-CD1 4.17Å; D74-L81 HydrophobicContact CB-CD2 4.28Å; D74-L81 HydrophobicContact CB-CG 4.25Å
75S86.8Confident88.4Confident22 Ų2263.5 Ų63.515%0.15433%0.325CS..THydrogen-bonded Turntrans-72.7-22.7-17175.90000113.6V57 N59 T73 K78V57-S75 WeakPolarHBondContact CG1-OG 3.24Å; V57-S75 VanDerWaalsContact O-CB 3.28Å; V57-S75 WeakPolarHBondContact O-CB 3.46Å; V57-S75 PolarHBondContact O-N 2.88Å; V57-S75 PolarHBondContact O-OG 3.19Å; N59-S75 WeakPolarHBondContact ND2-CA 3.39Å; T73-S75 PolarHBondContact O-N 3.41Å; S75-K78 WeakPolarHBondContact O-CE 3.44Å; S75-K78 PolarHBondContact O-NZ 3.07Å
76I86.3Confident88.5Confident152 Ų15261.1 Ų61.178%0.77931%0.312SS*.THydrogen-bonded Turntrans-100-57.6-172.9-56.9176.3000110.6D74D74-I76 VanDerWaalsContact C-N 3.28Å; D74-I76 PolarHBondContact O-N 3.02Å; D74-I76 WeakPolarHBondContact OD1-CA 3.36Å; D74-I76 PolarHBondContact OD1-N 3.32Å
77S87.3Confident88.7Confident72 Ų7259.7 Ų59.750%0.50331%0.313SS..THydrogen-bonded Turntrans-76.6-20.5-178.864.60000113.6D74 E79D74-S77 VanDerWaalsContact CB-OG 3.25Å; D74-S77 WeakPolarHBondContact CB-OG 3.38Å; D74-S77 PolarHBondContact OD1-N 2.87Å; D74-S77 PolarHBondContact OD1-OG 3.41Å; S77-E79 PolarHBondContact O-N 2.83Å; S77-E79 WeakPolarHBondContact OG-CB 3.36Å; S77-E79 PolarHBondContact OG-N 3.14Å
78K85.6Confident88.9Confident130 Ų13054.3 Ų54.357%0.56529%0.288SS*.  trans61.715.3-171.3-51.8-53.4-169.6-168.10114.5N59 D74 S75N59-K78 PolarHBondContact ND2-NZ 2.96Å; D74-K78 VanDerWaalsContact O-CA 3.29Å; D74-K78 WeakPolarHBondContact O-CA 3.35Å; D74-K78 PolarHBondContact O-N 3.29Å; S75-K78 WeakPolarHBondContact O-CE 3.44Å; S75-K78 PolarHBondContact O-NZ 3.07Å
79E87Confident89.1Confident131 Ų13154.8 Ų54.861%0.61229%0.288SS*.  trans-66.8141.1174.3-171.1166.9-169.400111T73 D74 S77 L81T73-E79 CarbonylContact C-O 3.57Å; T73-E79 VanDerWaalsContact CA-O 3.22Å; T73-E79 WeakPolarHBondContact CA-O 3.43Å; D74-E79 PolarHBondContact N-O 3.44Å; S77-E79 PolarHBondContact O-N 2.83Å; S77-E79 WeakPolarHBondContact OG-CB 3.36Å; S77-E79 PolarHBondContact OG-N 3.14Å; E79-L81 PolarHBondContact O-N 3.41Å
80Q87.6Confident88.7Confident131 Ų13157 Ų5761%0.61229%0.294SS*.EExtended strand (participates in β ladder)trans-79.3107.9173.8-75.9177.8-12.900108.9T73T73-Q80 HydrophobicContact CG2-CG 3.89Å
81L87.6Confident88.4Confident69 Ų6959.4 Ų59.436%0.36131%0.307SS..EExtended strand (participates in β ladder)trans-78.3-48.4-179.6-59.1177.5000110.7F25 T56 V58 I72 D74 E79F25-L81 HydrophobicContact CD1-CD1 4.28Å; T56-L81 HydrophobicContact CG2-CD1 4.02Å; V58-L81 HydrophobicContact CG1-CD1 3.64Å; I72-L81 HydrophobicContact CG2-CD1 4.45Å; I72-L81 PolarHBondContact O-N 2.86Å; D74-L81 HydrophobicContact CB-CD1 4.17Å; D74-L81 HydrophobicContact CB-CD2 4.28Å; D74-L81 HydrophobicContact CB-CG 4.25Å; E79-L81 PolarHBondContact O-N 3.41Å
82I89.2Confident88.2Confident29 Ų2959.6 Ų59.615%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-141.9133.3-177.5-70.9149.2000109.1F25 C71 I72 F84 H132F25-I82 HydrophobicContact CE1-CD1 3.71Å; F25-I82 HydrophobicContact CE2-CD1 4.01Å; F25-I82 HydrophobicContact CZ-CD1 3.22Å; C71-I82 CarbonylContact C-O 3.58Å; C71-I82 WeakPolarHBondContact CA-O 3.42Å; I72-I82 HydrophobicContact CB-CB 4.27Å; I72-I82 HydrophobicContact CD1-CB 4.36Å; I72-I82 HydrophobicContact CD1-CD1 4.22Å; I72-I82 HydrophobicContact CD1-CG2 4.5Å; I72-I82 PolarHBondContact N-O 2.69Å; I72-I82 PolarHBondContact O-N 2.89Å; I82-F84 HydrophobicContact CG2-CD1 3.44Å; I82-F84 VanDerWaalsContact CG2-CD1 3.44Å; I82-F84 HydrophobicContact CG2-CE1 3.55Å; I82-H132 VanDerWaalsContact CD1-CE1 3.42Å; I82-H132 WeakPolarHBondContact CD1-CE1 3.16Å; I82-H132 WeakPolarHBondContact CD1-ND1 3.45Å
83C91Very high88Confident56 Ų5660.2 Ų60.238%0.37831%0.311SS..EExtended strand (participates in β ladder)trans-135.9124.6173.9-700000109.2I69 L70 C71I69-C83 HydrophobicContact CG2-CB 3.82Å; L70-C83 WeakPolarHBondContact O-CA 3.37Å; C71-C83 PolarHBondContact SG-SG 2.93Å
84F90.3Very high87.8Confident4 Ų463.3 Ų63.32%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-146.1149.4172.954.5-97.7000111.5L70 I82 L86 I89 H108 H132L70-F84 HydrophobicContact CB-CE2 4.32Å; L70-F84 HydrophobicContact CD1-CE2 4.42Å; L70-F84 HydrophobicContact CD1-CZ 4.46Å; L70-F84 HydrophobicContact CD2-CE1 4.07Å; L70-F84 HydrophobicContact CD2-CE2 4.14Å; L70-F84 HydrophobicContact CD2-CZ 3.69Å; L70-F84 PolarHBondContact N-O 3.22Å; L70-F84 PolarHBondContact O-N 3.17Å; L70-F84 VanDerWaalsContact O-N 3.12Å; I82-F84 HydrophobicContact CG2-CD1 3.44Å; I82-F84 VanDerWaalsContact CG2-CD1 3.44Å; I82-F84 HydrophobicContact CG2-CE1 3.55Å; F84-L86 PolarHBondContact O-N 2.96Å; F84-I89 HydrophobicContact CD2-CG1 4.39Å; F84-I89 HydrophobicContact CE2-CD1 4.01Å; F84-I89 HydrophobicContact CE2-CG1 3.6Å; F84-I89 HydrophobicContact CZ-CG1 4.46Å; F84-H108 AromaticContact CD1-CD2 3.37Å; F84-H108 WeakPolarHBondContact CD1-CD2 3.43Å; F84-H108 AromaticContact CD1-CE1 3.8Å; F84-H108 AromaticContact CD1-CG 3.86Å; F84-H108 AromaticContact CD1-NE2 3.34Å; F84-H108 VanDerWaalsContact CD1-NE2 3.34Å; F84-H108 WeakPolarHBondContact CD1-NE2 3.26Å; F84-H108 HydrophobicContact CD2-CB 3.96Å; F84-H108 AromaticContact CD2-CG 3.92Å; F84-H108 AromaticContact CE1-CD2 3.45Å; F84-H108 VanDerWaalsContact CE1-CD2 3.45Å; F84-H108 WeakPolarHBondContact CE1-CD2 3.33Å; F84-H108 AromaticContact CE1-NE2 3.78Å; F84-H108 HydrophobicContact CE2-CB 4.08Å; F84-H108 HydrophobicContact CG-CB 4.29Å; F84-H108 AromaticContact CG-CD2 3.76Å; F84-H108 AromaticContact CG-CE1 3.94Å; F84-H108 AromaticContact CG-CG 3.74Å; F84-H108 AromaticContact CG-ND1 3.86Å; F84-H108 AromaticContact CG-NE2 3.9Å; F84-H108 HydrophobicContact CZ-CB 4.48Å; F84-H108 AromaticContact CZ-CD2 3.9Å; F84-H132 AromaticContact CE1-CD2 3.67Å; F84-H132 AromaticContact CE1-NE2 3.89Å
85P89.4Confident87.5Confident43 Ų4362 Ų6228%0.27932%0.317SS..EExtended strand (participates in β ladder)trans-53.6132.7172-2735.4000112.5N87 E88P85-N87 WeakPolarHBondContact CB-OD1 3.16Å; P85-N87 PolarHBondContact O-N 2.98Å; P85-N87 VanDerWaalsContact O-N 3.09Å; P85-E88 HydrophobicContact CB-CG 4.16Å; P85-E88 HydrophobicContact CG-CG 4.42Å; P85-E88 WeakPolarHBondContact O-CB 3.48Å; P85-E88 PolarHBondContact O-N 3.23Å
86L87.7Confident87.3Confident0 Ų065.3 Ų65.30%034%0.34CS..G310 helixtrans-58.8-29.5-175.6-166.779.4000112.9I62 P63 G68 L70 F84 E88 I89 I149 I152 I153I62-L86 HydrophobicContact CG2-CD1 3.97Å; P63-L86 HydrophobicContact CG-CB 4.39Å; G68-L86 PolarHBondContact O-N 3.37Å; L70-L86 HydrophobicContact CB-CD1 3.91Å; L70-L86 HydrophobicContact CD1-CD1 3.71Å; L70-L86 HydrophobicContact CG-CD1 4.42Å; F84-L86 PolarHBondContact O-N 2.96Å; L86-E88 VanDerWaalsContact C-N 3.27Å; L86-E88 PolarHBondContact O-N 3.12Å; L86-I89 HydrophobicContact CD1-CD1 3.86Å; L86-I89 HydrophobicContact CG-CD1 4.35Å; L86-I89 WeakPolarHBondContact O-CG1 3.47Å; L86-I89 PolarHBondContact O-N 3.07Å; L86-I149 HydrophobicContact CD1-CG1 4.46Å; L86-I149 HydrophobicContact CD1-CG2 4.26Å; L86-I152 HydrophobicContact CD2-CB 3.78Å; L86-I152 HydrophobicContact CD2-CD1 4.33Å; L86-I152 HydrophobicContact CD2-CG2 3.38Å; L86-I153 HydrophobicContact CD2-CG1 4.18Å; L86-I153 HydrophobicContact CG-CD1 4.44Å; L86-I153 HydrophobicContact CG-CG1 4.24Å
87N85.2Confident87.1Confident83 Ų8360.4 Ų60.444%0.44432%0.315SS..G310 helixtrans-73.6-9.3177.864.9-2.9000114.6P85 I89P85-N87 WeakPolarHBondContact CB-OD1 3.16Å; P85-N87 PolarHBondContact O-N 2.98Å; P85-N87 VanDerWaalsContact O-N 3.09Å; N87-I89 VanDerWaalsContact C-N 3.34Å
88E87.8Confident86.5Confident57 Ų5763.3 Ų63.327%0.26633%0.33SS..G310 helixtrans-80.5-13.3174.1-71.9-179.6178.700113.2P85 L86 K90 H108 G109P85-E88 HydrophobicContact CB-CG 4.16Å; P85-E88 HydrophobicContact CG-CG 4.42Å; P85-E88 WeakPolarHBondContact O-CB 3.48Å; P85-E88 PolarHBondContact O-N 3.23Å; L86-E88 VanDerWaalsContact C-N 3.27Å; L86-E88 PolarHBondContact O-N 3.12Å; E88-K90 PolarHBondContact O-N 3.12Å; E88-K90 VanDerWaalsContact O-N 3.15Å; E88-H108 HydrophobicContact CB-CB 4.09Å; E88-H108 VanDerWaalsContact O-CA 3.26Å; E88-H108 WeakPolarHBondContact O-CA 3.16Å; E88-H108 WeakPolarHBondContact O-CB 3.3Å; E88-H108 IonicContact OE2-ND1 3.55Å; E88-G109 PolarHBondContact O-N 3.34Å; E88-G109 VanDerWaalsContact O-N 3.09Å
89I88.1Confident86.4Confident19 Ų1959.1 Ų59.110%0.09732%0.32CS..EExtended strand (participates in β ladder)trans-60.8115.5175.8-61.3172.9000109.8L70 F84 L86 N87 L92 L106 T107 I149 I153L70-I89 HydrophobicContact CD1-CD1 4.17Å; F84-I89 HydrophobicContact CD2-CG1 4.39Å; F84-I89 HydrophobicContact CE2-CD1 4.01Å; F84-I89 HydrophobicContact CE2-CG1 3.6Å; F84-I89 HydrophobicContact CZ-CG1 4.46Å; L86-I89 HydrophobicContact CD1-CD1 3.86Å; L86-I89 HydrophobicContact CG-CD1 4.35Å; L86-I89 WeakPolarHBondContact O-CG1 3.47Å; L86-I89 PolarHBondContact O-N 3.07Å; N87-I89 VanDerWaalsContact C-N 3.34Å; I89-L92 HydrophobicContact CG2-CB 4.29Å; I89-L106 HydrophobicContact CD1-CD2 3.74Å; I89-L106 HydrophobicContact CG1-CD2 4.31Å; I89-L106 HydrophobicContact CG2-CD2 4.34Å; I89-T107 CarbonylContact C-O 3.58Å; I89-I149 HydrophobicContact CD1-CG2 3.69Å; I89-I153 HydrophobicContact CB-CD1 4.09Å; I89-I153 HydrophobicContact CD1-CD1 4.24Å; I89-I153 HydrophobicContact CG2-CD1 4.46Å
90K84.4Confident86.4Confident142 Ų14252.9 Ų52.962%0.61729%0.29SS*.EExtended strand (participates in β ladder)trans-97.6-36176.4-57.8-52.2-175.5-174.90112.8E88 T107 Y129E88-K90 PolarHBondContact O-N 3.12Å; E88-K90 VanDerWaalsContact O-N 3.15Å; K90-T107 PolarHBondContact N-O 3.45Å; K90-Y129 HydrophobicContact CG-CD1 4.27Å; K90-Y129 HydrophobicContact CG-CE1 3.92Å
91N85.9Confident86.2Confident50 Ų5047.1 Ų47.127%0.26727%0.266SS..EExtended strand (participates in β ladder)trans-129.9138.1178.8-164.40.9000111T107N91-T107 PolarHBondContact N-O 3.09Å; N91-T107 VanDerWaalsContact N-O 3.15Å; N91-T107 PolarHBondContact O-N 3.31Å
92L89.2Confident86.3Confident19 Ų1945.9 Ų45.910%0.09926%0.259CS..EExtended strand (participates in β ladder)trans-14597178.1179.761.3000109.7I89 V104 L105 L106 I146 I149 R150I89-L92 HydrophobicContact CG2-CB 4.29Å; L92-V104 HydrophobicContact CD1-CG1 3.56Å; L92-L105 WeakPolarHBondContact CA-O 3.31Å; L92-L106 HydrophobicContact CD1-CD2 3.68Å; L92-L106 HydrophobicContact CD1-CG 3.87Å; L92-I146 HydrophobicContact CD1-CG1 4Å; L92-I146 HydrophobicContact CD2-CG1 4.43Å; L92-I146 HydrophobicContact CD2-CG2 4.31Å; L92-I146 HydrophobicContact CG-CG1 4.11Å; L92-I146 HydrophobicContact CG-CG2 4.44Å; L92-I149 HydrophobicContact CD2-CB 3.79Å; L92-I149 HydrophobicContact CD2-CG2 3.61Å; L92-R150 HydrophobicContact CD2-CG 3.93Å; L92-R150 PolarHBondContact O-NH2 3.37Å
93S87.5Confident86.4Confident14 Ų1444.6 Ų44.610%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-121.9151.9-174.851.90000111.9V104 L105S93-V104 CarbonylContact O-C 3.59Å; S93-V104 WeakPolarHBondContact O-CA 3.26Å; S93-L105 PolarHBondContact N-O 2.78Å; S93-L105 PolarHBondContact O-N 3.06Å
94K89Confident86.5Confident78 Ų7842 Ų4234%0.33924%0.235SC..EExtended strand (participates in β ladder)trans-117.2166.1167.756.4156.7-169.7154.80111.3Y103 Y139 T142 L143 I146K94-Y103 WeakPolarHBondContact CA-O 3.34Å; K94-Y103 WeakPolarHBondContact CB-O 3.31Å; K94-Y139 HydrophobicContact CD-CE2 4.37Å; K94-Y139 PolarHBondContact NZ-OH 2.98Å; K94-T142 HydrophobicContact CB-CG2 3.88Å; K94-L143 HydrophobicContact CD-CD2 4.23Å; K94-I146 HydrophobicContact CB-CD1 3.53Å; K94-I146 HydrophobicContact CG-CD1 3.96Å
95G85.4Confident86.5Confident1 Ų141.8 Ų41.81%0.0123%0.234CC..  trans-57.9149.1166.600000113N41 T100 Y103N41-G95 VanDerWaalsContact OD1-CA 3.24Å; N41-G95 WeakPolarHBondContact OD1-CA 3.48Å; G95-T100 WeakPolarHBondContact CA-O 3.44Å; G95-Y103 PolarHBondContact N-O 3.17Å
96S81.6Confident86.6Confident91 Ų9139.8 Ų39.864%0.63622%0.221SC*.SBendtrans-102.9-15-172.767.30000114.9N41 T100N41-S96 VanDerWaalsContact CG-OG 3.29Å; N41-S96 PolarHBondContact ND2-OG 3.1Å; N41-S96 VanDerWaalsContact ND2-OG 3.11Å; N41-S96 PolarHBondContact OD1-N 3.21Å; N41-S96 PolarHBondContact OD1-OG 3.43Å; S96-T100 PolarHBondContact N-OG1 3.28Å
97D82.2Confident86.6Confident49 Ų4939.9 Ų39.926%0.26222%0.221SC..SBendtrans-118.1175.8177.758.759.4000111.6N41 H45 A99 T100 A101N41-D97 PolarHBondContact ND2-OD2 2.87Å; H45-D97 IonicContact CD2-OD2 3.22Å; H45-D97 IonicContact CE1-OD1 3.99Å; H45-D97 IonicContact CE1-OD2 3.37Å; H45-D97 IonicContact NE2-OD1 3.78Å; H45-D97 PolarHBondContact NE2-OD1 3.23Å; H45-D97 IonicContact NE2-OD2 3.8Å; H45-D97 PolarHBondContact NE2-OD2 3.04Å; D97-A99 VanDerWaalsContact C-N 3.34Å; D97-A99 PolarHBondContact O-N 3.45Å; D97-A99 PolarHBondContact OD1-N 3.03Å; D97-A99 VanDerWaalsContact OD1-N 3.1Å; D97-T100 PolarHBondContact N-OG1 3.31Å; D97-T100 PolarHBondContact O-N 2.95Å; D97-T100 PolarHBondContact O-OG1 3.03Å; D97-T100 WeakPolarHBondContact OD1-CB 3.47Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.46Å; D97-T100 PolarHBondContact OD1-N 3.12Å; D97-T100 PolarHBondContact OD1-OG1 2.86Å; D97-T100 PolarHBondContact OD2-OG1 2.75Å; D97-A101 WeakPolarHBondContact O-CA 3.25Å; D97-A101 VanDerWaalsContact O-CB 3.27Å; D97-A101 WeakPolarHBondContact O-CB 3.49Å; D97-A101 PolarHBondContact O-N 2.94Å
98T75.7Confident86.7Confident133 Ų13336.3 Ų36.382%0.81620%0.202SC*.THydrogen-bonded Turntrans-68.6-24.8-174.844.70000114.9
99A82.5Confident86.3Confident42 Ų4234.2 Ų34.235%0.34720%0.195SC..THydrogen-bonded Turntrans-80.4-40.5178.200000111D97D97-A99 VanDerWaalsContact C-N 3.34Å; D97-A99 PolarHBondContact O-N 3.45Å; D97-A99 PolarHBondContact OD1-N 3.03Å; D97-A99 VanDerWaalsContact OD1-N 3.1Å
100T86.4Confident85.6Confident0 Ų035.2 Ų35.20%020%0.203CC..THydrogen-bonded Turntrans-88.4-6-17958.10000113.6N41 F44 H45 G95 S96 D97 N102 Y103N41-T100 PolarHBondContact OD1-OG1 2.75Å; F44-T100 HydrophobicContact CB-CG2 3.49Å; F44-T100 VanDerWaalsContact CB-CG2 3.49Å; H45-T100 VanDerWaalsContact CD2-CG2 3.49Å; H45-T100 WeakPolarHBondContact CD2-CG2 3.27Å; G95-T100 WeakPolarHBondContact CA-O 3.44Å; S96-T100 PolarHBondContact N-OG1 3.28Å; D97-T100 PolarHBondContact N-OG1 3.31Å; D97-T100 PolarHBondContact O-N 2.95Å; D97-T100 PolarHBondContact O-OG1 3.03Å; D97-T100 WeakPolarHBondContact OD1-CB 3.47Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.46Å; D97-T100 PolarHBondContact OD1-N 3.12Å; D97-T100 PolarHBondContact OD1-OG1 2.86Å; D97-T100 PolarHBondContact OD2-OG1 2.75Å; T100-N102 PolarHBondContact O-N 3.26Å; T100-Y103 WeakPolarHBondContact O-CD2 3.46Å; T100-Y103 PolarHBondContact O-N 3.01Å
101A84Confident84.4Confident11 Ų1133.2 Ų33.29%0.09121%0.207CC..THydrogen-bonded Turntrans-52-27.9-174.100000114.7D97 Y139 T142D97-A101 WeakPolarHBondContact O-CA 3.25Å; D97-A101 VanDerWaalsContact O-CB 3.27Å; D97-A101 WeakPolarHBondContact O-CB 3.49Å; D97-A101 PolarHBondContact O-N 2.94Å; A101-Y139 HydrophobicContact CB-CD2 3.69Å; A101-Y139 HydrophobicContact CB-CE2 4.19Å; A101-Y139 HydrophobicContact CB-CG 4.36Å; A101-Y139 WeakPolarHBondContact O-CD2 3.47Å; A101-T142 VanDerWaalsContact O-CG2 3.31Å; A101-T142 WeakPolarHBondContact O-CG2 3.46Å
102N89.1Confident82.6Confident43 Ų4335 Ų3523%0.2322%0.221CC..THydrogen-bonded Turntrans-85.3-1.6-176.7-68.4-8.8000114.4T100 R135 C136 Y139 T142T100-N102 PolarHBondContact O-N 3.26Å; N102-R135 HydrophobicContact CB-CG 4.24Å; N102-R135 CarbonylContact O-C 3.57Å; N102-R135 WeakPolarHBondContact O-CA 3.43Å; N102-C136 PolarHBondContact O-N 3.21Å; N102-Y139 VanDerWaalsContact OD1-CA 3.26Å; N102-Y139 WeakPolarHBondContact OD1-CA 3.24Å; N102-Y139 PolarHBondContact OD1-N 3.1Å; N102-T142 VanDerWaalsContact CA-OG1 3.31Å; N102-T142 WeakPolarHBondContact CA-OG1 3.37Å; N102-T142 PolarHBondContact O-OG1 3.02Å
103Y92.1Very high80.6Confident2 Ų239.1 Ų39.11%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-99.8139.6-178.7-65.5-98.2000112.5F26 F44 L47 E48 K94 G95 T100 V133 L134 R135F26-Y103 HydrophobicContact CE2-CE1 4.21Å; F44-Y103 HydrophobicContact CB-CD2 4.18Å; F44-Y103 HydrophobicContact CB-CG 4.2Å; F44-Y103 AromaticContact CD1-CD1 4Å; F44-Y103 HydrophobicContact CD1-CD1 4Å; F44-Y103 AromaticContact CD1-CG 3.87Å; F44-Y103 HydrophobicContact CD1-CG 3.87Å; F44-Y103 HydrophobicContact CE1-CD1 4.46Å; F44-Y103 HydrophobicContact CE1-CG 4.35Å; F44-Y103 HydrophobicContact CG-CD2 4.4Å; F44-Y103 AromaticContact CG-CG 3.98Å; F44-Y103 HydrophobicContact CG-CG 3.98Å; L47-Y103 HydrophobicContact CB-CE1 3.88Å; L47-Y103 HydrophobicContact CD1-CD1 4.14Å; L47-Y103 HydrophobicContact CD1-CE1 3.78Å; E48-Y103 HydrophobicContact CB-CE2 4.25Å; E48-Y103 WeakPolarHBondContact OE2-CE2 3.38Å; E48-Y103 VanDerWaalsContact OE2-CZ 3.3Å; E48-Y103 PolarHBondContact OE2-OH 3.15Å; K94-Y103 WeakPolarHBondContact CA-O 3.34Å; K94-Y103 WeakPolarHBondContact CB-O 3.31Å; G95-Y103 PolarHBondContact N-O 3.17Å; T100-Y103 WeakPolarHBondContact O-CD2 3.46Å; T100-Y103 PolarHBondContact O-N 3.01Å; Y103-V133 HydrophobicContact CD1-CG1 3.98Å; Y103-L134 CarbonylContact C-O 3.59Å; Y103-L134 WeakPolarHBondContact CA-O 3.42Å; Y103-R135 HydrophobicContact CD1-CB 3.72Å; Y103-R135 HydrophobicContact CD1-CG 3.93Å; Y103-R135 HydrophobicContact CD2-CG 4.18Å; Y103-R135 HydrophobicContact CE1-CB 3.64Å; Y103-R135 HydrophobicContact CE1-CG 3.65Å; Y103-R135 HydrophobicContact CE2-CG 3.92Å; Y103-R135 HydrophobicContact CG-CB 4.33Å; Y103-R135 HydrophobicContact CG-CG 4.18Å; Y103-R135 VanDerWaalsContact CZ-CD 3.44Å; Y103-R135 VanDerWaalsContact OH-CD 3.32Å; Y103-R135 WeakPolarHBondContact OH-CD 3.36Å; Y103-R135 PolarHBondContact OH-NE 3.48Å; Y103-R135 VanDerWaalsContact OH-NE 3.15Å
104V92Very high78Confident0 Ų046.1 Ų46.10%029%0.287CS..EExtended strand (participates in β ladder)trans-115.1135.8166.2-175.80000108.1L92 S93 L106 V133 L134 T142 I146L92-V104 HydrophobicContact CD1-CG1 3.56Å; S93-V104 CarbonylContact O-C 3.59Å; S93-V104 WeakPolarHBondContact O-CA 3.26Å; V104-L106 HydrophobicContact CG1-CD1 4.24Å; V104-L106 HydrophobicContact CG1-CG 4.17Å; V104-V133 WeakPolarHBondContact O-CA 3.46Å; V104-L134 HydrophobicContact CB-CB 4.34Å; V104-L134 PolarHBondContact N-O 2.89Å; V104-L134 PolarHBondContact O-N 3.37Å; V104-T142 HydrophobicContact CG2-CG2 3.66Å; V104-I146 HydrophobicContact CG1-CD1 4.27Å; V104-I146 HydrophobicContact CG1-CG1 4.11Å; V104-I146 HydrophobicContact CG2-CD1 4.16Å; V104-I146 HydrophobicContact CG2-CG1 4.17Å
105L91.7Very high75.6Confident0 Ų049.8 Ų49.80%031%0.311CS..EExtended strand (participates in β ladder)trans-111.7126.2164.4176.1158.5000108.5M32 V40 F44 L92 S93 T107 T131 V133M32-L105 HydrophobicContact CB-CD1 4.38Å; M32-L105 HydrophobicContact CE-CD1 3.8Å; M32-L105 HydrophobicContact SD-CD1 3.85Å; V40-L105 HydrophobicContact CB-CD1 4.47Å; V40-L105 HydrophobicContact CG1-CB 4.29Å; V40-L105 HydrophobicContact CG1-CD1 3.82Å; V40-L105 HydrophobicContact CG2-CD1 3.95Å; F44-L105 HydrophobicContact CE1-CB 4.07Å; F44-L105 HydrophobicContact CZ-CB 3.65Å; L92-L105 WeakPolarHBondContact CA-O 3.31Å; S93-L105 PolarHBondContact N-O 2.78Å; S93-L105 PolarHBondContact O-N 3.06Å; L105-T107 WeakPolarHBondContact CD2-OG1 3.13Å; L105-T131 HydrophobicContact CD1-CG2 3.69Å; L105-T131 HydrophobicContact CD2-CG2 3.85Å; L105-T131 HydrophobicContact CG-CG2 3.51Å; L105-V133 HydrophobicContact CB-CG2 4.23Å; L105-V133 HydrophobicContact CD1-CG2 4.19Å; L105-V133 HydrophobicContact CG-CG2 4.2Å
106L90.5Very high73.5Confident1 Ų158.1 Ų58.11%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-111.8127.5175.9-79.7142.8000107.6I89 L92 V104 T131 H132 L134 I149I89-L106 HydrophobicContact CD1-CD2 3.74Å; I89-L106 HydrophobicContact CG1-CD2 4.31Å; I89-L106 HydrophobicContact CG2-CD2 4.34Å; L92-L106 HydrophobicContact CD1-CD2 3.68Å; L92-L106 HydrophobicContact CD1-CG 3.87Å; V104-L106 HydrophobicContact CG1-CD1 4.24Å; V104-L106 HydrophobicContact CG1-CG 4.17Å; L106-T131 CarbonylContact O-C 3.6Å; L106-T131 WeakPolarHBondContact O-CA 3.13Å; L106-H132 HydrophobicContact CB-CB 4.3Å; L106-H132 PolarHBondContact N-O 3.42Å; L106-H132 PolarHBondContact O-N 2.95Å; L106-L134 HydrophobicContact CD1-CD1 3.46Å; L106-L134 VanDerWaalsContact CD1-CD1 3.46Å; L106-L134 HydrophobicContact CD1-CG 4.16Å; L106-I149 HydrophobicContact CD2-CD1 3.84Å
107T88.3Confident71.4Confident2 Ų259.1 Ų59.11%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-124.9126.9169.6-56.80000109.1I89 K90 N91 L105 L130 T131I89-T107 CarbonylContact C-O 3.58Å; K90-T107 PolarHBondContact N-O 3.45Å; N91-T107 PolarHBondContact N-O 3.09Å; N91-T107 VanDerWaalsContact N-O 3.15Å; N91-T107 PolarHBondContact O-N 3.31Å; L105-T107 WeakPolarHBondContact CD2-OG1 3.13Å; T107-L130 VanDerWaalsContact CA-O 3.31Å; T107-L130 WeakPolarHBondContact CA-O 3.45Å; T107-T131 PolarHBondContact OG1-OG1 3.23Å
108H86.9Confident69.6Low9 Ų961.8 Ų61.84%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-116.5154.2173.773.397.5000110.9F84 E88 Y129 L130 H132F84-H108 AromaticContact CD1-CD2 3.37Å; F84-H108 WeakPolarHBondContact CD1-CD2 3.43Å; F84-H108 AromaticContact CD1-CE1 3.8Å; F84-H108 AromaticContact CD1-CG 3.86Å; F84-H108 AromaticContact CD1-NE2 3.34Å; F84-H108 VanDerWaalsContact CD1-NE2 3.34Å; F84-H108 WeakPolarHBondContact CD1-NE2 3.26Å; F84-H108 HydrophobicContact CD2-CB 3.96Å; F84-H108 AromaticContact CD2-CG 3.92Å; F84-H108 AromaticContact CE1-CD2 3.45Å; F84-H108 VanDerWaalsContact CE1-CD2 3.45Å; F84-H108 WeakPolarHBondContact CE1-CD2 3.33Å; F84-H108 AromaticContact CE1-NE2 3.78Å; F84-H108 HydrophobicContact CE2-CB 4.08Å; F84-H108 HydrophobicContact CG-CB 4.29Å; F84-H108 AromaticContact CG-CD2 3.76Å; F84-H108 AromaticContact CG-CE1 3.94Å; F84-H108 AromaticContact CG-CG 3.74Å; F84-H108 AromaticContact CG-ND1 3.86Å; F84-H108 AromaticContact CG-NE2 3.9Å; F84-H108 HydrophobicContact CZ-CB 4.48Å; F84-H108 AromaticContact CZ-CD2 3.9Å; E88-H108 HydrophobicContact CB-CB 4.09Å; E88-H108 VanDerWaalsContact O-CA 3.26Å; E88-H108 WeakPolarHBondContact O-CA 3.16Å; E88-H108 WeakPolarHBondContact O-CB 3.3Å; E88-H108 IonicContact OE2-ND1 3.55Å; H108-Y129 WeakPolarHBondContact O-CA 3.23Å; H108-L130 PolarHBondContact N-O 3.48Å; H108-L130 PolarHBondContact O-N 3.01Å; H108-H132 AromaticContact CD2-CD2 3.58Å; H108-H132 AromaticContact CD2-NE2 3.25Å; H108-H132 PolarHBondContact CD2-NE2 3.37Å; H108-H132 AromaticContact NE2-CD2 3.84Å; H108-H132 AromaticContact NE2-NE2 3.01Å; H108-H132 PolarHBondContact NE2-NE2 2.96Å
109G80.4Confident68Low12 Ų1260.9 Ų60.912%0.12437%0.371CS..EExtended strand (participates in β ladder)trans-75.1151167.800000110.7E88E88-G109 PolarHBondContact O-N 3.34Å; E88-G109 VanDerWaalsContact O-N 3.09Å
110T72.6Confident66.5Low41 Ų4165.2 Ų65.225%0.25240%0.396SS..  trans-112.4127.5164.156.20000108.4M128 L130T110-M128 PolarHBondContact N-O 2.98Å; T110-M128 WeakPolarHBondContact OG1-CB 3.47Å; T110-M128 PolarHBondContact OG1-O 2.85Å; T110-L130 HydrophobicContact CG2-CD1 3.6Å; T110-L130 HydrophobicContact CG2-CG 3.86Å
111S58.6Low65Low100 Ų10070 Ų7070%0.69943%0.429SS*.PPolyproline II helixtrans-83.9130.4170.5-153.40000108.3S113S111-S113 PolarHBondContact O-N 2.96Å; S111-S113 VanDerWaalsContact O-N 3.1Å
112P49.7Very low63.1Low87 Ų8773 Ų7357%0.56545%0.45SS*.PPolyproline II helixtrans-60.8118.7177.221-28.1000108.9N114P112-N114 PolarHBondContact O-N 3.19Å
113S46.1Very low60.9Low106 Ų10680 Ų8074%0.74148%0.481SS*.PPolyproline II helixtrans-62.2122.5-176.355.60000110.4S111 N115S111-S113 PolarHBondContact O-N 2.96Å; S111-S113 VanDerWaalsContact O-N 3.1Å; S113-N115 PolarHBondContact O-N 2.86Å
114N34.3Very low58.3Low160 Ų16088.1 Ų88.186%0.85652%0.519SS*.THydrogen-bonded Turntrans-49.799.7173.4-66.1-44.7000111.1P112P112-N114 PolarHBondContact O-N 3.19Å
115N38.5Very low55.9Low155 Ų15593 Ų9383%0.82955%0.551SS**THydrogen-bonded Turntrans-167.2-15165.7-98.9-26.3000114.9S113S113-N115 PolarHBondContact O-N 2.86Å
116E40.3Very low53.8Low177 Ų177100.3 Ų100.383%0.82759%0.589SS**SBendtrans-105.2121.7170.9-64.4-164.9160.900110.9V118E116-V118 VanDerWaalsContact C-N 3.32Å; E116-V118 PolarHBondContact O-N 3.32Å
117A38.4Very low52.1Low111 Ų111105.2 Ų105.292%0.91762%0.615SS**  trans-76.484.1176.500000109.7
118V43.7Very low51.3Low106 Ų106110.8 Ų110.864%0.64264%0.643SS**  trans-72.3135.4173.7-177.30000109.6E116 S122E116-V118 VanDerWaalsContact C-N 3.32Å; E116-V118 PolarHBondContact O-N 3.32Å; V118-S122 WeakPolarHBondContact CG1-OG 3.43Å
119D41.9Very low50.9Low113 Ų113114.1 Ų114.160%0.60466%0.655SS**  trans-61.8128-174.9-159.6-4.9000111.2S121 S122D119-S121 PolarHBondContact O-N 3.46Å; D119-S122 PolarHBondContact O-N 3.41Å; D119-S122 PolarHBondContact O-OG 2.91Å
120P51.7Low51.2Low134 Ų134117.3 Ų117.387%0.8767%0.669SS**THydrogen-bonded Turntrans-62.92.8-175.3-25.335.4000116.7
121S53.5Low51.9Low99 Ų99115.6 Ų115.669%0.69266%0.658SS**THydrogen-bonded Turntrans-99.4-0.1177.155.70000115.2D119D119-S121 PolarHBondContact O-N 3.46Å
122S44.3Very low53.4Low75 Ų75111.1 Ų111.152%0.52463%0.627SS.*SBendtrans-88.8128.3174.159.70000112.3V118 D119V118-S122 WeakPolarHBondContact CG1-OG 3.43Å; D119-S122 PolarHBondContact O-N 3.41Å; D119-S122 PolarHBondContact O-OG 2.91Å
123E44Very low55.4Low189 Ų189107 Ų10788%0.88360%0.6SS**  trans-64.4140.8177.8-62.6177142.800112.4
124E36.5Very low57.6Low174 Ų174102 Ų10281%0.81356%0.564SS**  trans44.5119.7172.4-58.9-159.2153.600119.5L126E124-L126 PolarHBondContact O-N 3.47Å; E124-L126 VanDerWaalsContact O-N 3.17Å
125P41.8Very low60.4Low103 Ų10396.6 Ų96.667%0.66953%0.532SS*.  trans-68117.1166.729.5-31.9000109.5N127P125-N127 PolarHBondContact O-N 3.05Å
126L46.9Very low62.8Low152 Ų15289.5 Ų89.580%0.79650%0.495SS*.  trans-60.8104.4172.3-79.996.8000109.9E124 M128E124-L126 PolarHBondContact O-N 3.47Å; E124-L126 VanDerWaalsContact O-N 3.17Å; L126-M128 VanDerWaalsContact C-N 3.34Å; L126-M128 PolarHBondContact O-N 3.05Å
127N55.3Low64.9Low104 Ų10485.3 Ų85.356%0.55648%0.483SS*.  trans-66.494166.1-80.2-48000108.6P125 Y129P125-N127 PolarHBondContact O-N 3.05Å; N127-Y129 HydrophobicContact CB-CE2 4.24Å; N127-Y129 WeakPolarHBondContact O-CD2 3.25Å; N127-Y129 WeakPolarHBondContact O-CE2 3.47Å
128M71.6Confident66.7Low120 Ų12081.5 Ų81.559%0.59145%0.448SS*.  trans-72.4128.9173.9-75.4-17864.900110T110 L126T110-M128 PolarHBondContact N-O 2.98Å; T110-M128 WeakPolarHBondContact OG1-CB 3.47Å; T110-M128 PolarHBondContact OG1-O 2.85Å; L126-M128 VanDerWaalsContact C-N 3.34Å; L126-M128 PolarHBondContact O-N 3.05Å
129Y79.6Confident68.3Low78 Ų7879.2 Ų79.231%0.30643%0.428SS..EExtended strand (participates in β ladder)trans-105139.4172.8-61.9-73.6000109.9K90 H108 N127K90-Y129 HydrophobicContact CG-CD1 4.27Å; K90-Y129 HydrophobicContact CG-CE1 3.92Å; H108-Y129 WeakPolarHBondContact O-CA 3.23Å; N127-Y129 HydrophobicContact CB-CE2 4.24Å; N127-Y129 WeakPolarHBondContact O-CD2 3.25Å; N127-Y129 WeakPolarHBondContact O-CE2 3.47Å
130L85.1Confident69.8Low79 Ų7974.5 Ų74.541%0.41440%0.403SS..EExtended strand (participates in β ladder)trans-112.2130.3172.9-72.2177.8000109.8T107 H108 T110T107-L130 VanDerWaalsContact CA-O 3.31Å; T107-L130 WeakPolarHBondContact CA-O 3.45Å; H108-L130 PolarHBondContact N-O 3.48Å; H108-L130 PolarHBondContact O-N 3.01Å; T110-L130 HydrophobicContact CG2-CD1 3.6Å; T110-L130 HydrophobicContact CG2-CG 3.86Å
131T87.6Confident71.2Confident5 Ų568.9 Ų68.93%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-108.7133.1179.6-59.20000111.2P28 M32 L105 L106 T107P28-T131 WeakPolarHBondContact CD-O 3.4Å; P28-T131 HydrophobicContact CG-CG2 4.3Å; P28-T131 WeakPolarHBondContact CG-O 3.46Å; M32-T131 HydrophobicContact CB-CG2 4.01Å; M32-T131 HydrophobicContact CG-CG2 4.17Å; M32-T131 HydrophobicContact SD-CG2 3.66Å; L105-T131 HydrophobicContact CD1-CG2 3.69Å; L105-T131 HydrophobicContact CD2-CG2 3.85Å; L105-T131 HydrophobicContact CG-CG2 3.51Å; L106-T131 CarbonylContact O-C 3.6Å; L106-T131 WeakPolarHBondContact O-CA 3.13Å; T107-T131 PolarHBondContact OG1-OG1 3.23Å
132H89.8Confident72.8Confident7 Ų764.2 Ų64.23%0.03234%0.336CS..EExtended strand (participates in β ladder)trans-123.8130.3-178.9-57-55.2000109F25 I82 F84 L106 H108F25-H132 HydrophobicContact CE2-CB 3.86Å; F25-H132 AromaticContact CE2-ND1 3.94Å; F25-H132 AromaticContact CZ-ND1 3.96Å; I82-H132 VanDerWaalsContact CD1-CE1 3.42Å; I82-H132 WeakPolarHBondContact CD1-CE1 3.16Å; I82-H132 WeakPolarHBondContact CD1-ND1 3.45Å; F84-H132 AromaticContact CE1-CD2 3.67Å; F84-H132 AromaticContact CE1-NE2 3.89Å; L106-H132 HydrophobicContact CB-CB 4.3Å; L106-H132 PolarHBondContact N-O 3.42Å; L106-H132 PolarHBondContact O-N 2.95Å; H108-H132 AromaticContact CD2-CD2 3.58Å; H108-H132 AromaticContact CD2-NE2 3.25Å; H108-H132 PolarHBondContact CD2-NE2 3.37Å; H108-H132 AromaticContact NE2-CD2 3.84Å; H108-H132 AromaticContact NE2-NE2 3.01Å; H108-H132 PolarHBondContact NE2-NE2 2.96Å
133V91.9Very high74.6Confident0 Ų063 Ų630%032%0.324CS..EExtended strand (participates in β ladder)trans-113.4126.4178.7173.10000109.9F25 F26 P28 Y43 F44 L47 Y103 V104 L105F25-V133 WeakPolarHBondContact CD2-O 3.43Å; F26-V133 HydrophobicContact CB-CB 4.17Å; F26-V133 HydrophobicContact CB-CG1 4.42Å; F26-V133 HydrophobicContact CD2-CG1 4.38Å; F26-V133 PolarHBondContact N-O 3.33Å; F26-V133 PolarHBondContact O-N 3.18Å; P28-V133 HydrophobicContact CG-CG2 4.27Å; Y43-V133 HydrophobicContact CE1-CG2 4.2Å; F44-V133 HydrophobicContact CD1-CG1 4.24Å; F44-V133 HydrophobicContact CE1-CG1 3.8Å; F44-V133 HydrophobicContact CE1-CG2 4.22Å; L47-V133 HydrophobicContact CD1-CG1 3.76Å; Y103-V133 HydrophobicContact CD1-CG1 3.98Å; V104-V133 WeakPolarHBondContact O-CA 3.46Å; L105-V133 HydrophobicContact CB-CG2 4.23Å; L105-V133 HydrophobicContact CD1-CG2 4.19Å; L105-V133 HydrophobicContact CG-CG2 4.2Å
134L93.5Very high76.6Confident0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-118.4129.9-179.7-60.3177.9000109.1I23 Q24 F25 V58 L60 I72 Y103 V104 L106I23-L134 HydrophobicContact CG2-CB 3.75Å; I23-L134 HydrophobicContact CG2-CD1 4.49Å; I23-L134 HydrophobicContact CG2-CD2 3.78Å; I23-L134 HydrophobicContact CG2-CG 4.21Å; Q24-L134 CarbonylContact O-C 3.54Å; Q24-L134 WeakPolarHBondContact O-CA 3.45Å; F25-L134 HydrophobicContact CB-CD2 3.89Å; F25-L134 HydrophobicContact CD2-CD2 3.66Å; F25-L134 HydrophobicContact CG-CD2 4.17Å; V58-L134 HydrophobicContact CG2-CD2 4.39Å; L60-L134 HydrophobicContact CD1-CD1 4.35Å; L60-L134 HydrophobicContact CD2-CD1 3.91Å; I72-L134 HydrophobicContact CD1-CD2 4.32Å; Y103-L134 CarbonylContact C-O 3.59Å; Y103-L134 WeakPolarHBondContact CA-O 3.42Å; V104-L134 HydrophobicContact CB-CB 4.34Å; V104-L134 PolarHBondContact N-O 2.89Å; V104-L134 PolarHBondContact O-N 3.37Å; L106-L134 HydrophobicContact CD1-CD1 3.46Å; L106-L134 VanDerWaalsContact CD1-CD1 3.46Å; L106-L134 HydrophobicContact CD1-CG 4.16Å
135R92.1Very high79.1Confident48 Ų4846.9 Ų46.918%0.18125%0.248CC..EExtended strand (participates in β ladder)trans-108.9117.7169.4-169.5-164.8-173.4-146.47.1108.8Q24 F26 E48 N102 Y103Q24-R135 HydrophobicContact CB-CB 4.23Å; Q24-R135 PolarHBondContact N-O 3.05Å; Q24-R135 PolarHBondContact O-N 2.87Å; Q24-R135 VanDerWaalsContact OE1-CD 3.32Å; F26-R135 HydrophobicContact CE2-CB 3.84Å; E48-R135 IonicContact OE1-CZ 3.47Å; E48-R135 IonicContact OE1-NH2 2.97Å; E48-R135 PolarHBondContact OE1-NH2 2.97Å; E48-R135 IonicContact OE2-CZ 3.08Å; E48-R135 VanDerWaalsContact OE2-CZ 3.27Å; E48-R135 IonicContact OE2-NE 3.44Å; E48-R135 PolarHBondContact OE2-NE 3.18Å; E48-R135 IonicContact OE2-NH2 3.83Å; E48-R135 PolarHBondContact OE2-NH2 3.26Å; N102-R135 HydrophobicContact CB-CG 4.24Å; N102-R135 CarbonylContact O-C 3.57Å; N102-R135 WeakPolarHBondContact O-CA 3.43Å; Y103-R135 HydrophobicContact CD1-CB 3.72Å; Y103-R135 HydrophobicContact CD1-CG 3.93Å; Y103-R135 HydrophobicContact CD2-CG 4.18Å; Y103-R135 HydrophobicContact CE1-CB 3.64Å; Y103-R135 HydrophobicContact CE1-CG 3.65Å; Y103-R135 HydrophobicContact CE2-CG 3.92Å; Y103-R135 HydrophobicContact CG-CB 4.33Å; Y103-R135 HydrophobicContact CG-CG 4.18Å; Y103-R135 VanDerWaalsContact CZ-CD 3.44Å; Y103-R135 VanDerWaalsContact OH-CD 3.32Å; Y103-R135 WeakPolarHBondContact OH-CD 3.36Å; Y103-R135 PolarHBondContact OH-NE 3.48Å; Y103-R135 VanDerWaalsContact OH-NE 3.15Å
136C89.2Confident81.3Confident6 Ų642.4 Ų42.44%0.04122%0.218CC..  trans-82.1151.2177.5-57.80000110.3N102 T138 T142 I145N102-C136 PolarHBondContact O-N 3.21Å; C136-T138 WeakPolarHBondContact CB-O 3.42Å; C136-T138 PolarHBondContact O-N 3.49Å; C136-T138 VanDerWaalsContact O-N 3.08Å; C136-T142 WeakPolarHBondContact CB-OG1 3.22Å; C136-T142 PolarHBondContact SG-OG1 3Å; C136-I145 WeakPolarHBondContact SG-CD1 3.29Å
137P83.5Confident83.1Confident88 Ų8838.8 Ų38.857%0.57120%0.199SC*.SBendtrans-58.1-22.2171.2-26.735.6000114.1D22D22-P137 HydrophobicContact CB-CG 4.27Å; D22-P137 WeakPolarHBondContact O-CD 3.42Å; D22-P137 WeakPolarHBondContact O-CG 3.3Å
138T76.6Confident84.6Confident31 Ų3134 Ų3419%0.1917%0.174CC..SBendtrans-141.9154.4179.2660000113C136 H140 G141 T142 Y223C136-T138 WeakPolarHBondContact CB-O 3.42Å; C136-T138 PolarHBondContact O-N 3.49Å; C136-T138 VanDerWaalsContact O-N 3.08Å; T138-H140 PolarHBondContact O-N 3.13Å; T138-G141 PolarHBondContact O-N 3.4Å; T138-G141 VanDerWaalsContact O-N 3.12Å; T138-G141 PolarHBondContact OG1-N 3.14Å; T138-G141 VanDerWaalsContact OG1-N 3.08Å; T138-T142 PolarHBondContact O-N 2.96Å; T138-T142 VanDerWaalsContact O-N 3.15Å; T138-T142 PolarHBondContact O-OG1 3.31Å; T138-Y223 HydrophobicContact CG2-CD1 3.75Å; T138-Y223 HydrophobicContact CG2-CD2 4.48Å; T138-Y223 HydrophobicContact CG2-CE1 3.7Å; T138-Y223 HydrophobicContact CG2-CE2 4.42Å; T138-Y223 HydrophobicContact CG2-CG 4.14Å
139Y77Confident85.5Confident59 Ų5928.3 Ų28.323%0.23115%0.146CC..Hα-helixtrans-57.1-37.4171.8172.9-122.7000112.3K94 A101 N102 T142 L143 S265K94-Y139 HydrophobicContact CD-CE2 4.37Å; K94-Y139 PolarHBondContact NZ-OH 2.98Å; A101-Y139 HydrophobicContact CB-CD2 3.69Å; A101-Y139 HydrophobicContact CB-CE2 4.19Å; A101-Y139 HydrophobicContact CB-CG 4.36Å; A101-Y139 WeakPolarHBondContact O-CD2 3.47Å; N102-Y139 VanDerWaalsContact OD1-CA 3.26Å; N102-Y139 WeakPolarHBondContact OD1-CA 3.24Å; N102-Y139 PolarHBondContact OD1-N 3.1Å; Y139-T142 VanDerWaalsContact O-CB 3.28Å; Y139-T142 WeakPolarHBondContact O-CB 3.45Å; Y139-T142 PolarHBondContact O-N 3.44Å; Y139-L143 HydrophobicContact CD1-CD1 4.15Å; Y139-L143 HydrophobicContact CD2-CG 4.34Å; Y139-L143 HydrophobicContact CE1-CD1 3.52Å; Y139-L143 HydrophobicContact CE1-CG 4.05Å; Y139-L143 HydrophobicContact CE2-CD1 4.26Å; Y139-L143 HydrophobicContact CE2-CD2 4Å; Y139-L143 HydrophobicContact CE2-CG 3.86Å; Y139-L143 PolarHBondContact O-N 3.37Å; Y139-S265 WeakPolarHBondContact CD1-OG 3.48Å
140H75Confident85.9Confident13 Ų1330.6 Ų30.66%0.0615%0.154CC..Hα-helixtrans-66.4-38.4176.8-59.9-59.9000112.5T138 T142 L143 R144 G220 Y223 S265T138-H140 PolarHBondContact O-N 3.13Å; H140-T142 VanDerWaalsContact C-N 3.32Å; H140-T142 PolarHBondContact O-N 3.3Å; H140-L143 PolarHBondContact O-N 3.39Å; H140-R144 WeakPolarHBondContact O-CB 3.17Å; H140-R144 PolarHBondContact O-N 3.04Å; H140-G220 WeakPolarHBondContact ND1-CA 3.42Å; H140-G220 PolarHBondContact ND1-O 2.95Å; H140-G220 VanDerWaalsContact ND1-O 3.09Å; H140-Y223 AromaticContact CD2-CD2 3.47Å; H140-Y223 VanDerWaalsContact CD2-CD2 3.47Å; H140-Y223 WeakPolarHBondContact CD2-CD2 3.35Å; H140-S265 PolarHBondContact CE1-O 3.42Å; H140-S265 PolarHBondContact NE2-O 2.94Å
141G81.1Confident85.8Confident17 Ų1731.2 Ų31.218%0.17515%0.151CC..Hα-helixtrans-57.8-4617000000111.5T138 R144 I145T138-G141 PolarHBondContact O-N 3.4Å; T138-G141 VanDerWaalsContact O-N 3.12Å; T138-G141 PolarHBondContact OG1-N 3.14Å; T138-G141 VanDerWaalsContact OG1-N 3.08Å; G141-R144 PolarHBondContact O-N 3.35Å; G141-I145 WeakPolarHBondContact O-CG1 3.43Å; G141-I145 PolarHBondContact O-N 2.96Å
142T86.3Confident85.7Confident0 Ų031.2 Ų31.20%015%0.151CC..Hα-helixtrans-58.4-50.6176.3-59.40000112.2K94 A101 N102 V104 C136 T138 Y139 H140 R144 I146K94-T142 HydrophobicContact CB-CG2 3.88Å; A101-T142 VanDerWaalsContact O-CG2 3.31Å; A101-T142 WeakPolarHBondContact O-CG2 3.46Å; N102-T142 VanDerWaalsContact CA-OG1 3.31Å; N102-T142 WeakPolarHBondContact CA-OG1 3.37Å; N102-T142 PolarHBondContact O-OG1 3.02Å; V104-T142 HydrophobicContact CG2-CG2 3.66Å; C136-T142 WeakPolarHBondContact CB-OG1 3.22Å; C136-T142 PolarHBondContact SG-OG1 3Å; T138-T142 PolarHBondContact O-N 2.96Å; T138-T142 VanDerWaalsContact O-N 3.15Å; T138-T142 PolarHBondContact O-OG1 3.31Å; Y139-T142 VanDerWaalsContact O-CB 3.28Å; Y139-T142 WeakPolarHBondContact O-CB 3.45Å; Y139-T142 PolarHBondContact O-N 3.44Å; H140-T142 VanDerWaalsContact C-N 3.32Å; H140-T142 PolarHBondContact O-N 3.3Å; T142-R144 VanDerWaalsContact C-N 3.3Å; T142-R144 PolarHBondContact O-N 2.83Å; T142-I146 HydrophobicContact CG2-CD1 4.45Å; T142-I146 WeakPolarHBondContact O-CG1 3.23Å; T142-I146 PolarHBondContact O-N 2.89Å
143L83.2Confident85.4Confident50 Ų5032.9 Ų32.926%0.26216%0.159SC..Hα-helixtrans-58.5-43175.5-75.3-176000111.7K94 Y139 H140 I146 D147K94-L143 HydrophobicContact CD-CD2 4.23Å; Y139-L143 HydrophobicContact CD1-CD1 4.15Å; Y139-L143 HydrophobicContact CD2-CG 4.34Å; Y139-L143 HydrophobicContact CE1-CD1 3.52Å; Y139-L143 HydrophobicContact CE1-CG 4.05Å; Y139-L143 HydrophobicContact CE2-CD1 4.26Å; Y139-L143 HydrophobicContact CE2-CD2 4Å; Y139-L143 HydrophobicContact CE2-CG 3.86Å; Y139-L143 PolarHBondContact O-N 3.37Å; H140-L143 PolarHBondContact O-N 3.39Å; L143-I146 PolarHBondContact O-N 3.06Å; L143-D147 WeakPolarHBondContact O-CB 3.27Å; L143-D147 PolarHBondContact O-N 3.26Å
144R84.2Confident84.8Confident25 Ų2537.5 Ų37.59%0.09419%0.187CC..Hα-helixtrans-71.4-40.8-175.2-170.4-178.4-179.21702.5113F20 H140 G141 T142 I146 D147 V148 R221 E348F20-R144 HydrophobicContact CE1-CB 4.12Å; F20-R144 HydrophobicContact CE1-CG 3.94Å; F20-R144 HydrophobicContact CZ-CG 4.06Å; H140-R144 WeakPolarHBondContact O-CB 3.17Å; H140-R144 PolarHBondContact O-N 3.04Å; G141-R144 PolarHBondContact O-N 3.35Å; T142-R144 VanDerWaalsContact C-N 3.3Å; T142-R144 PolarHBondContact O-N 2.83Å; R144-I146 VanDerWaalsContact C-N 3.27Å; R144-I146 PolarHBondContact O-N 2.66Å; R144-D147 PolarHBondContact O-N 2.89Å; R144-V148 HydrophobicContact CG-CG2 4.29Å; R144-V148 VanDerWaalsContact O-CB 3.32Å; R144-V148 WeakPolarHBondContact O-CB 3.38Å; R144-V148 WeakPolarHBondContact O-CG2 3.19Å; R144-V148 PolarHBondContact O-N 3.25Å; R144-R221 WeakPolarHBondContact CD-O 3.31Å; R144-E348 IonicContact CZ-OE1 2.68Å; R144-E348 IonicContact CZ-OE2 3.69Å; R144-E348 VanDerWaalsContact NH1-CD 3.32Å; R144-E348 IonicContact NH1-OE1 2.68Å; R144-E348 PolarHBondContact NH1-OE1 2.87Å; R144-E348 IonicContact NH1-OE2 3.78Å; R144-E348 PolarHBondContact NH1-OE2 3.33Å; R144-E348 VanDerWaalsContact NH1-OE2 3.17Å; R144-E348 IonicContact NH2-OE1 3.63Å; R144-E348 IonicContact NH2-OE2 3.97Å; R144-E348 PolarHBondContact NH2-OE2 3.3Å
145I89.5Confident83.4Confident0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-57.3-46.8172.1-69.4173.8000109.5F20 I23 L60 I62 C136 G141 V148 I149F20-I145 HydrophobicContact CD1-CD1 4.1Å; F20-I145 HydrophobicContact CD1-CG1 3.52Å; F20-I145 HydrophobicContact CD2-CG1 4.09Å; F20-I145 HydrophobicContact CE1-CB 4.47Å; F20-I145 HydrophobicContact CE1-CD1 4.48Å; F20-I145 HydrophobicContact CE1-CG1 3.45Å; F20-I145 VanDerWaalsContact CE1-CG1 3.45Å; F20-I145 HydrophobicContact CE2-CG1 4.05Å; F20-I145 HydrophobicContact CG-CD1 4.24Å; F20-I145 HydrophobicContact CG-CG1 3.84Å; F20-I145 HydrophobicContact CZ-CB 4.46Å; F20-I145 HydrophobicContact CZ-CG1 3.73Å; I23-I145 HydrophobicContact CD1-CD1 3.64Å; I23-I145 HydrophobicContact CG1-CD1 4.45Å; L60-I145 HydrophobicContact CD2-CD1 3.89Å; L60-I145 HydrophobicContact CD2-CG1 4.15Å; L60-I145 HydrophobicContact CD2-CG2 3.76Å; I62-I145 HydrophobicContact CD1-CG2 4.17Å; C136-I145 WeakPolarHBondContact SG-CD1 3.29Å; G141-I145 WeakPolarHBondContact O-CG1 3.43Å; G141-I145 PolarHBondContact O-N 2.96Å; I145-V148 PolarHBondContact O-N 2.91Å; I145-I149 HydrophobicContact CG2-CD1 3.77Å; I145-I149 HydrophobicContact CG2-CG1 4.47Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.17Å; I145-I149 PolarHBondContact O-N 2.8Å
146I88.5Confident81.4Confident9 Ų948 Ų485%0.04624%0.239CC..Hα-helixtrans-65.7-42.6-179.6-70.4177.9000112L92 K94 V104 T142 L143 R144 R150L92-I146 HydrophobicContact CD1-CG1 4Å; L92-I146 HydrophobicContact CD2-CG1 4.43Å; L92-I146 HydrophobicContact CD2-CG2 4.31Å; L92-I146 HydrophobicContact CG-CG1 4.11Å; L92-I146 HydrophobicContact CG-CG2 4.44Å; K94-I146 HydrophobicContact CB-CD1 3.53Å; K94-I146 HydrophobicContact CG-CD1 3.96Å; V104-I146 HydrophobicContact CG1-CD1 4.27Å; V104-I146 HydrophobicContact CG1-CG1 4.11Å; V104-I146 HydrophobicContact CG2-CD1 4.16Å; V104-I146 HydrophobicContact CG2-CG1 4.17Å; T142-I146 HydrophobicContact CG2-CD1 4.45Å; T142-I146 WeakPolarHBondContact O-CG1 3.23Å; T142-I146 PolarHBondContact O-N 2.89Å; L143-I146 PolarHBondContact O-N 3.06Å; R144-I146 VanDerWaalsContact C-N 3.27Å; R144-I146 PolarHBondContact O-N 2.66Å; I146-R150 HydrophobicContact CG2-CG 4.31Å; I146-R150 VanDerWaalsContact CG2-CZ 3.42Å; I146-R150 VanDerWaalsContact O-CB 3.23Å; I146-R150 WeakPolarHBondContact O-CB 3.33Å; I146-R150 WeakPolarHBondContact O-CG 3.28Å; I146-R150 PolarHBondContact O-N 2.92Å
147D84.4Confident79.2Confident76 Ų7655 Ų5541%0.40628%0.281SS..Hα-helixtrans-63.7-46.8177.7-168.261.4000111.2L143 R144 R150 R151L143-D147 WeakPolarHBondContact O-CB 3.27Å; L143-D147 PolarHBondContact O-N 3.26Å; R144-D147 PolarHBondContact O-N 2.89Å; D147-R150 PolarHBondContact O-N 2.88Å; D147-R151 WeakPolarHBondContact O-CB 3.23Å; D147-R151 PolarHBondContact O-N 2.98Å
148V87.4Confident77Confident3 Ų354.1 Ų54.12%0.01829%0.288CS..Hα-helixtrans-57.1-56.7176.1167.30000110.8I18 F20 I62 R144 I145 R150 R151 I152 W167I18-V148 HydrophobicContact CD1-CG1 3.91Å; I18-V148 HydrophobicContact CD1-CG2 4.14Å; F20-V148 HydrophobicContact CZ-CG2 4.14Å; I62-V148 HydrophobicContact CB-CG1 4.25Å; I62-V148 HydrophobicContact CD1-CG1 4.03Å; I62-V148 HydrophobicContact CG2-CG1 3.97Å; R144-V148 HydrophobicContact CG-CG2 4.29Å; R144-V148 VanDerWaalsContact O-CB 3.32Å; R144-V148 WeakPolarHBondContact O-CB 3.38Å; R144-V148 WeakPolarHBondContact O-CG2 3.19Å; R144-V148 PolarHBondContact O-N 3.25Å; I145-V148 PolarHBondContact O-N 2.91Å; V148-R150 PolarHBondContact O-N 2.88Å; V148-R151 PolarHBondContact O-N 3.4Å; V148-I152 HydrophobicContact CG1-CD1 3.68Å; V148-I152 VanDerWaalsContact O-CD1 3.29Å; V148-I152 WeakPolarHBondContact O-CD1 3.42Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.45Å; V148-I152 PolarHBondContact O-N 3.34Å; V148-I152 VanDerWaalsContact O-N 3.16Å; V148-W167 HydrophobicContact CG1-CH2 4.11Å; V148-W167 HydrophobicContact CG2-CH2 4.21Å; V148-W167 HydrophobicContact CG2-CZ3 3.94Å
149I89.9Confident74.8Confident0 Ų058 Ų580%032%0.316CS..Hα-helixtrans-61.7-44.7-177.8-64.8175.1000110.8I62 L70 L86 I89 L92 L106 I145 I152 I153I62-I149 HydrophobicContact CD1-CD1 4.01Å; I62-I149 HydrophobicContact CD1-CG1 3.73Å; I62-I149 HydrophobicContact CG2-CG1 3.96Å; L70-I149 HydrophobicContact CD1-CD1 4Å; L86-I149 HydrophobicContact CD1-CG1 4.46Å; L86-I149 HydrophobicContact CD1-CG2 4.26Å; I89-I149 HydrophobicContact CD1-CG2 3.69Å; L92-I149 HydrophobicContact CD2-CB 3.79Å; L92-I149 HydrophobicContact CD2-CG2 3.61Å; L106-I149 HydrophobicContact CD2-CD1 3.84Å; I145-I149 HydrophobicContact CG2-CD1 3.77Å; I145-I149 HydrophobicContact CG2-CG1 4.47Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.17Å; I145-I149 PolarHBondContact O-N 2.8Å; I149-I152 PolarHBondContact O-N 2.85Å; I149-I153 HydrophobicContact CG2-CD1 3.59Å; I149-I153 HydrophobicContact CG2-CG1 4.35Å; I149-I153 WeakPolarHBondContact O-CB 3.29Å; I149-I153 VanDerWaalsContact O-CG1 3.31Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 3.25Å
150R87.3Confident72.6Confident126 Ų12662.4 Ų62.448%0.47535%0.35SS..Hα-helixtrans-60.9-48.6178.3-75.9180-178.4167.74.4111.1L92 I146 D147 V148 I152 I153 T154L92-R150 HydrophobicContact CD2-CG 3.93Å; L92-R150 PolarHBondContact O-NH2 3.37Å; I146-R150 HydrophobicContact CG2-CG 4.31Å; I146-R150 VanDerWaalsContact CG2-CZ 3.42Å; I146-R150 VanDerWaalsContact O-CB 3.23Å; I146-R150 WeakPolarHBondContact O-CB 3.33Å; I146-R150 WeakPolarHBondContact O-CG 3.28Å; I146-R150 PolarHBondContact O-N 2.92Å; D147-R150 PolarHBondContact O-N 2.88Å; V148-R150 PolarHBondContact O-N 2.88Å; R150-I152 VanDerWaalsContact C-N 3.32Å; R150-I152 PolarHBondContact O-N 3.46Å; R150-I153 PolarHBondContact O-N 3.49Å; R150-I153 VanDerWaalsContact O-N 3.1Å; R150-T154 WeakPolarHBondContact O-CB 3.4Å; R150-T154 WeakPolarHBondContact O-CG2 3.42Å; R150-T154 PolarHBondContact O-N 2.72Å; R150-T154 PolarHBondContact O-OG1 2.84Å
151R83.9Confident70.4Confident93 Ų9365.6 Ų65.635%0.35138%0.379SS..Hα-helixtrans-57.4-46.9-177.5-148.8-177.378.4-146.7-2.5111.2D147 V148 I153 T154 E155 W167D147-R151 WeakPolarHBondContact O-CB 3.23Å; D147-R151 PolarHBondContact O-N 2.98Å; V148-R151 PolarHBondContact O-N 3.4Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-I153 PolarHBondContact O-N 3.11Å; R151-T154 PolarHBondContact O-N 2.93Å; R151-T154 PolarHBondContact O-OG1 2.9Å; R151-E155 WeakPolarHBondContact CG-OE1 3.44Å; R151-E155 IonicContact CZ-OE1 3.61Å; R151-E155 IonicContact NE-OE1 2.73Å; R151-E155 PolarHBondContact NE-OE1 3.32Å; R151-E155 WeakPolarHBondContact O-CB 3.48Å; R151-E155 VanDerWaalsContact O-CG 3.26Å; R151-E155 WeakPolarHBondContact O-CG 3.39Å; R151-E155 PolarHBondContact O-N 3.1Å; R151-W167 VanDerWaalsContact NH2-CH2 3.27Å; R151-W167 VanDerWaalsContact NH2-CZ3 3.32Å
152I85.4Confident67.9Low5 Ų571.1 Ų71.13%0.02641%0.409CS..Hα-helixtrans-65.6-34.6179-56.8154.1000112.1I62 P63 R66 L86 V148 I149 R150 W167I62-I152 HydrophobicContact CG2-CD1 4.03Å; P63-I152 WeakPolarHBondContact O-CD1 3.46Å; R66-I152 HydrophobicContact CB-CG2 4.23Å; L86-I152 HydrophobicContact CD2-CB 3.78Å; L86-I152 HydrophobicContact CD2-CD1 4.33Å; L86-I152 HydrophobicContact CD2-CG2 3.38Å; V148-I152 HydrophobicContact CG1-CD1 3.68Å; V148-I152 VanDerWaalsContact O-CD1 3.29Å; V148-I152 WeakPolarHBondContact O-CD1 3.42Å; V148-I152 VanDerWaalsContact O-CG1 3.3Å; V148-I152 WeakPolarHBondContact O-CG1 3.45Å; V148-I152 PolarHBondContact O-N 3.34Å; V148-I152 VanDerWaalsContact O-N 3.16Å; I149-I152 PolarHBondContact O-N 2.85Å; R150-I152 VanDerWaalsContact C-N 3.32Å; R150-I152 PolarHBondContact O-N 3.46Å; I152-W167 HydrophobicContact CD1-CH2 4.47Å
153I83.9Confident65.2Low41 Ų4183.7 Ų83.721%0.2146%0.456CS..Hα-helixtrans-76.5-36.4176.6-67.4174.9000112.2R66 L86 I89 I149 R150 R151R66-I153 PolarHBondContact NE-O 3.39Å; R66-I153 PolarHBondContact NH1-O 2.67Å; R66-I153 PolarHBondContact NH2-O 3Å; L86-I153 HydrophobicContact CD2-CG1 4.18Å; L86-I153 HydrophobicContact CG-CD1 4.44Å; L86-I153 HydrophobicContact CG-CG1 4.24Å; I89-I153 HydrophobicContact CB-CD1 4.09Å; I89-I153 HydrophobicContact CD1-CD1 4.24Å; I89-I153 HydrophobicContact CG2-CD1 4.46Å; I149-I153 HydrophobicContact CG2-CD1 3.59Å; I149-I153 HydrophobicContact CG2-CG1 4.35Å; I149-I153 WeakPolarHBondContact O-CB 3.29Å; I149-I153 VanDerWaalsContact O-CG1 3.31Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 3.25Å; R150-I153 PolarHBondContact O-N 3.49Å; R150-I153 VanDerWaalsContact O-N 3.1Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-I153 PolarHBondContact O-N 3.11Å
154T78Confident62.7Low97 Ų9785.2 Ų85.260%0.59547%0.471SS*.Hα-helixtrans-89.2-12.3-176.357.70000114.7R150 R151 E156R150-T154 WeakPolarHBondContact O-CB 3.4Å; R150-T154 WeakPolarHBondContact O-CG2 3.42Å; R150-T154 PolarHBondContact O-N 2.72Å; R150-T154 PolarHBondContact O-OG1 2.84Å; R151-T154 PolarHBondContact O-N 2.93Å; R151-T154 PolarHBondContact O-OG1 2.9Å; T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 PolarHBondContact O-N 3.34Å
155E64.9Low60.4Low105 Ų10586.8 Ų86.849%0.49150%0.495SS..  trans-65.588.3172.6-84.9172-156.100109.3R151R151-E155 WeakPolarHBondContact CG-OE1 3.44Å; R151-E155 IonicContact CZ-OE1 3.61Å; R151-E155 IonicContact NE-OE1 2.73Å; R151-E155 PolarHBondContact NE-OE1 3.32Å; R151-E155 WeakPolarHBondContact O-CB 3.48Å; R151-E155 VanDerWaalsContact O-CG 3.26Å; R151-E155 WeakPolarHBondContact O-CG 3.39Å; R151-E155 PolarHBondContact O-N 3.1Å
156E50.8Low58.2Low165 Ų16591.6 Ų91.677%0.77153%0.525SS*.  trans-65.9133171.7-71.9-171.715500110.2T154 G158T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 PolarHBondContact O-N 3.34Å; E156-G158 PolarHBondContact O-N 2.87Å
157T42.6Very low56.8Low152 Ų15294.2 Ų94.293%0.93353%0.534SS*.THydrogen-bonded Turntrans-65.877.9173.4490000110.6
158G36.5Very low55.5Low70 Ų7098.9 Ų98.972%0.72255%0.553SS**THydrogen-bonded Turntrans-161.1-27.4-173.600000117.9E156E156-G158 PolarHBondContact O-N 2.87Å
159S31.9Very low54.3Low111 Ų111101.4 Ų101.478%0.77657%0.57SS**  trans-106.6126.1-178.6-78.50000113.5A161S159-A161 PolarHBondContact O-N 3.46Å
160T29.7Very low53.6Low153 Ų153102.7 Ų102.794%0.93958%0.578SS**  trans-74.936.3-177.546.20000114.4T162T160-T162 PolarHBondContact O-N 2.81Å
161A28.7Very low53.2Low80 Ų8098.9 Ų98.966%0.66157%0.571SS**  trans-80.7103174.800000110.2S159S159-A161 PolarHBondContact O-N 3.46Å
162T29.5Very low53.2Low132 Ų13294.4 Ų94.481%0.8155%0.554SS**  trans4485.816239.20000116.6T160 S164T160-T162 PolarHBondContact O-N 2.81Å; T162-S164 VanDerWaalsContact C-N 3.27Å; T162-S164 PolarHBondContact O-N 3.21Å
163R28.9Very low53.3Low265 Ų26595.5 Ų95.5100%156%0.561SS**  trans-62.188.1158.1-79.3-178.6171.6172.7-3.3110.9
164S29.8Very low53.5Low81 Ų8193.6 Ų93.657%0.56655%0.551SS**  trans-150.6116.4154.6-171.20000107T162 V166T162-S164 VanDerWaalsContact C-N 3.27Å; T162-S164 PolarHBondContact O-N 3.21Å; S164-V166 PolarHBondContact O-N 2.86Å; S164-V166 WeakPolarHBondContact OG-CG2 3.29Å
165G36.4Very low54.1Low59 Ų5992.3 Ų92.361%0.60854%0.535SS*.  trans-71.533178.600000113.6
166V43.7Very low55.4Low101 Ų10187.3 Ų87.361%0.61251%0.512SS*.  trans-89.9104.6174.5175.80000106.5S164 E168S164-V166 PolarHBondContact O-N 2.86Å; S164-V166 WeakPolarHBondContact OG-CG2 3.29Å; V166-E168 PolarHBondContact O-N 3.27Å; V166-E168 VanDerWaalsContact O-N 3.16Å
167W59.8Low57.3Low63 Ų6382.3 Ų82.324%0.23949%0.488CS..PPolyproline II helixtrans-58.2117.7166-70.666.8000107.2I18 T64 V148 R151 I152I18-W167 HydrophobicContact CD1-CD2 3.91Å; I18-W167 HydrophobicContact CD1-CE3 3.77Å; I18-W167 HydrophobicContact CD1-CH2 3.34Å; I18-W167 HydrophobicContact CD1-CZ2 3.47Å; I18-W167 VanDerWaalsContact CD1-CZ2 3.47Å; I18-W167 HydrophobicContact CD1-CZ3 3.49Å; I18-W167 VanDerWaalsContact CD1-CZ3 3.49Å; I18-W167 HydrophobicContact CG1-CZ2 4.5Å; T64-W167 HydrophobicContact CG2-CZ2 3.94Å; V148-W167 HydrophobicContact CG1-CH2 4.11Å; V148-W167 HydrophobicContact CG2-CH2 4.21Å; V148-W167 HydrophobicContact CG2-CZ3 3.94Å; R151-W167 VanDerWaalsContact NH2-CH2 3.27Å; R151-W167 VanDerWaalsContact NH2-CZ3 3.32Å; I152-W167 HydrophobicContact CD1-CH2 4.47Å
168E57.5Low59.7Low174 Ų17475.2 Ų75.281%0.81345%0.445SS*.PPolyproline II helixtrans-53.7135.6-178.6-70.8-166.3136.400109.8V166 P170V166-E168 PolarHBondContact O-N 3.27Å; V166-E168 VanDerWaalsContact O-N 3.16Å; E168-P170 WeakPolarHBondContact O-CD 3.27Å; E168-P170 VanDerWaalsContact O-N 3.12Å
169P62.1Low62.3Low57 Ų5772 Ų7237%0.3741%0.411SS..PPolyproline II helixtrans-57.9121.6-178.222.9-32.7000108.8S171 L346 L365P169-S171 PolarHBondContact O-N 3.24Å; P169-L346 CarbonylContact C-O 3.53Å; P169-L346 WeakPolarHBondContact CB-O 3.4Å; P169-L365 HydrophobicContact CB-CD1 3.78Å; P169-L365 HydrophobicContact CG-CD1 4.07Å
170P74.1Confident65.2Low26 Ų2666.7 Ų66.717%0.16937%0.374CS..PPolyproline II helixtrans-57.6138.7-170.118.4-31.6000112.1E168 V222 L346 E348E168-P170 WeakPolarHBondContact O-CD 3.27Å; E168-P170 VanDerWaalsContact O-N 3.12Å; P170-V222 HydrophobicContact CB-CB 4.37Å; P170-V222 HydrophobicContact CB-CG2 3.43Å; P170-V222 VanDerWaalsContact CB-CG2 3.43Å; P170-V222 HydrophobicContact CG-CG2 4.03Å; P170-L346 HydrophobicContact CB-CD1 4.49Å; P170-L346 VanDerWaalsContact CD-O 3.29Å; P170-L346 WeakPolarHBondContact CD-O 3.48Å; P170-L346 HydrophobicContact CG-CD1 3.68Å; P170-L346 HydrophobicContact CG-CG 4.22Å; P170-L346 PolarHBondContact O-N 2.94Å; P170-E348 HydrophobicContact CG-CG 4.22Å
171S80.2Confident68.1Low46 Ų4663 Ų6332%0.32234%0.343SS..EExtended strand (participates in β ladder)trans-98.9132.1169.2590000109.9P169 I344P169-S171 PolarHBondContact O-N 3.24Å; S171-I344 CarbonylContact C-O 3.52Å; S171-I344 WeakPolarHBondContact CA-O 3.41Å
172V82.4Confident71Confident0 Ų059.2 Ų59.20%031%0.311CS..EExtended strand (participates in β ladder)trans-117.3139.4168.3173.10000109L174 Q217 D219 V222 L224 I344 L346V172-L174 HydrophobicContact CG1-CD2 4.36Å; V172-Q217 HydrophobicContact CG1-CG 3.95Å; V172-D219 WeakPolarHBondContact CA-OD1 3.48Å; V172-V222 HydrophobicContact CG2-CB 3.84Å; V172-V222 HydrophobicContact CG2-CG1 4.36Å; V172-V222 WeakPolarHBondContact CG2-O 3.34Å; V172-L224 HydrophobicContact CG1-CB 4.18Å; V172-L224 HydrophobicContact CG1-CD2 4.32Å; V172-I344 PolarHBondContact N-O 3.18Å; V172-I344 PolarHBondContact O-N 3.05Å; V172-L346 HydrophobicContact CB-CD2 4.25Å; V172-L346 HydrophobicContact CG2-CD2 3.78Å
173T87.5Confident73.8Confident28 Ų2854.9 Ų54.917%0.17228%0.284CS..EExtended strand (participates in β ladder)trans-109.6116.7179.9-49.80000109.8L218 D219 D341 Y342T173-L218 HydrophobicContact CG2-CB 4.33Å; T173-L218 HydrophobicContact CG2-CD1 3.98Å; T173-L218 HydrophobicContact CG2-CG 4.5Å; T173-L218 PolarHBondContact O-N 3.45Å; T173-D219 VanDerWaalsContact CB-OD2 3.27Å; T173-D219 WeakPolarHBondContact CB-OD2 3.48Å; T173-D219 PolarHBondContact N-OD1 3.33Å; T173-D219 PolarHBondContact N-OD2 2.95Å; T173-D219 PolarHBondContact OG1-OD2 3.29Å; T173-D341 HydrophobicContact CG2-CB 4.34Å; T173-Y342 WeakPolarHBondContact CA-O 3.34Å
174L89.1Confident76Confident0 Ų046.1 Ų46.10%026%0.256CS..EExtended strand (participates in β ladder)trans-104.3134.5171.4-64.2-173.4000110.5V172 V215 Q217 L224 I226 L303 L312 L314 Y342 I344V172-L174 HydrophobicContact CG1-CD2 4.36Å; L174-V215 HydrophobicContact CB-CG1 4.26Å; L174-V215 HydrophobicContact CD1-CG1 3.95Å; L174-V215 HydrophobicContact CG-CG1 4.48Å; L174-Q217 HydrophobicContact CD2-CB 3.68Å; L174-Q217 HydrophobicContact CD2-CG 4.08Å; L174-L224 HydrophobicContact CD1-CD2 3.84Å; L174-L224 HydrophobicContact CD2-CD2 4.12Å; L174-L224 HydrophobicContact CG-CD2 4.15Å; L174-I226 HydrophobicContact CD1-CD1 4.19Å; L174-I226 HydrophobicContact CD2-CD1 4.3Å; L174-L303 HydrophobicContact CD1-CD1 3.89Å; L174-L312 HydrophobicContact CD1-CD2 4.06Å; L174-L314 HydrophobicContact CD1-CD1 4.42Å; L174-Y342 PolarHBondContact N-O 2.87Å; L174-Y342 PolarHBondContact O-N 2.86Å; L174-I344 HydrophobicContact CB-CD1 4.28Å; L174-I344 HydrophobicContact CD1-CD1 3.56Å; L174-I344 HydrophobicContact CG-CD1 3.58Å
175R90.6Very high78Confident70 Ų7045.6 Ų45.626%0.26426%0.264SS..EExtended strand (participates in β ladder)trans-94121.9166.4179.9166.6-69.8157.74110.1V215 S216 L218 I339 D341R175-V215 CarbonylContact O-C 3.59Å; R175-V215 VanDerWaalsContact O-CA 3.31Å; R175-V215 WeakPolarHBondContact O-CA 3.42Å; R175-S216 PolarHBondContact N-O 3.26Å; R175-S216 PolarHBondContact O-N 2.71Å; R175-L218 HydrophobicContact CB-CD1 4.04Å; R175-L218 HydrophobicContact CB-CD2 3.85Å; R175-L218 HydrophobicContact CB-CG 3.91Å; R175-I339 HydrophobicContact CG-CB 4.33Å; R175-D341 VanDerWaalsContact CB-OD1 3.27Å; R175-D341 WeakPolarHBondContact CB-OD1 3.47Å; R175-D341 VanDerWaalsContact CG-OD1 3.25Å; R175-D341 WeakPolarHBondContact CG-OD1 3.32Å; R175-D341 IonicContact CZ-OD1 2.92Å; R175-D341 IonicContact CZ-OD2 3.6Å; R175-D341 IonicContact NE-OD1 2.7Å; R175-D341 PolarHBondContact NE-OD1 2.85Å; R175-D341 IonicContact NE-OD2 2.8Å; R175-D341 IonicContact NH2-OD1 3.96Å; R175-D341 PolarHBondContact NH2-OD1 3.08Å; R175-D341 IonicContact NH2-OD2 3.73Å; R175-D341 PolarHBondContact NH2-OD2 3.22Å
176L91.8Very high79.2Confident1 Ų145.2 Ų45.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-87.9135.8165.9178.863.2000109L178 V213 G214 V215 V301 L314 R316 I339 E340 Y342L176-L178 HydrophobicContact CD1-CD2 4.19Å; L176-L178 HydrophobicContact CD1-CG 4.29Å; L176-L178 HydrophobicContact CD2-CD1 3.91Å; L176-L178 HydrophobicContact CD2-CG 4.17Å; L176-L178 HydrophobicContact CG-CD1 4.28Å; L176-L178 HydrophobicContact CG-CD2 4.43Å; L176-L178 HydrophobicContact CG-CG 3.99Å; L176-V213 HydrophobicContact CD1-CG1 3.98Å; L176-G214 CarbonylContact C-O 3.55Å; L176-G214 WeakPolarHBondContact CA-O 3.31Å; L176-V215 HydrophobicContact CD1-CG2 3.84Å; L176-V301 HydrophobicContact CD1-CB 4.49Å; L176-V301 HydrophobicContact CD1-CG2 4Å; L176-L314 HydrophobicContact CB-CD1 4.39Å; L176-L314 HydrophobicContact CD2-CB 4.31Å; L176-R316 HydrophobicContact CD2-CB 4.14Å; L176-I339 CarbonylContact O-C 3.59Å; L176-I339 VanDerWaalsContact O-CA 3.29Å; L176-I339 WeakPolarHBondContact O-CA 3.4Å; L176-E340 PolarHBondContact N-O 2.8Å; L176-E340 PolarHBondContact O-N 2.94Å; L176-Y342 HydrophobicContact CB-CD2 4.13Å; L176-Y342 HydrophobicContact CB-CE2 3.71Å; L176-Y342 HydrophobicContact CD2-CE2 3.79Å; L176-Y342 HydrophobicContact CG-CE2 4.41Å
177H91.4Very high80.1Confident59 Ų5945.1 Ų45.127%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-119.4125.8174.1-54.6-111.1000107.8V213 G214 S216 P337 V338H177-V213 CarbonylContact O-C 3.53Å; H177-V213 WeakPolarHBondContact O-CA 3.48Å; H177-G214 PolarHBondContact N-O 3.47Å; H177-G214 PolarHBondContact O-N 2.95Å; H177-S216 PolarHBondContact NE2-OG 2.85Å; H177-P337 HydrophobicContact CB-CB 4.27Å; H177-V338 CarbonylContact C-O 3.54Å; H177-V338 WeakPolarHBondContact CA-O 3.13Å
178L92.1Very high80.4Confident3 Ų347.4 Ų47.42%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-128.6126.6-179.6-69.1174.4000110.8L176 F212 V213 V299 R316 P337 V338L176-L178 HydrophobicContact CD1-CD2 4.19Å; L176-L178 HydrophobicContact CD1-CG 4.29Å; L176-L178 HydrophobicContact CD2-CD1 3.91Å; L176-L178 HydrophobicContact CD2-CG 4.17Å; L176-L178 HydrophobicContact CG-CD1 4.28Å; L176-L178 HydrophobicContact CG-CD2 4.43Å; L176-L178 HydrophobicContact CG-CG 3.99Å; L178-F212 WeakPolarHBondContact CA-O 3.4Å; L178-V213 HydrophobicContact CD2-CB 4.29Å; L178-V213 HydrophobicContact CD2-CG1 4.17Å; L178-V213 HydrophobicContact CD2-CG2 3.77Å; L178-V299 HydrophobicContact CD1-CB 4.04Å; L178-V299 HydrophobicContact CD1-CG1 4.18Å; L178-V299 HydrophobicContact CD1-CG2 4.28Å; L178-V299 HydrophobicContact CD2-CG1 3.91Å; L178-R316 HydrophobicContact CD1-CB 3.54Å; L178-R316 HydrophobicContact CD1-CG 3.77Å; L178-P337 CarbonylContact O-C 3.48Å; L178-P337 WeakPolarHBondContact O-CA 3.3Å; L178-V338 PolarHBondContact N-O 3.1Å; L178-V338 PolarHBondContact O-N 3.34Å
179D92.3Very high81.2Confident3 Ų343.4 Ų43.42%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-136.4144.6177.2-170.136.8000110.8R181 K195 F212 P337D179-R181 WeakPolarHBondContact OD2-CG 3.42Å; D179-R181 IonicContact OD2-CZ 2.72Å; D179-R181 IonicContact OD2-NE 3.37Å; D179-R181 PolarHBondContact OD2-NE 2.99Å; D179-R181 IonicContact OD2-NH2 3.88Å; D179-K195 IonicContact OD1-NZ 3.69Å; D179-K195 PolarHBondContact OD1-NZ 2.91Å; D179-F212 HydrophobicContact CB-CB 4.23Å; D179-F212 PolarHBondContact N-O 3.13Å; D179-F212 PolarHBondContact O-N 3.47Å; D179-P337 HydrophobicContact CB-CB 4.05Å; D179-P337 HydrophobicContact CB-CG 4.15Å
180I91.7Very high82.3Confident0 Ų042.3 Ų42.30%025%0.25CS..EExtended strand (participates in β ladder)trans-112.1129.5174-64.9175.6000106.2V193 F201 M203 L211 W275 F297I180-V193 HydrophobicContact CB-CG2 3.96Å; I180-V193 HydrophobicContact CG2-CG1 4.15Å; I180-V193 HydrophobicContact CG2-CG2 4.22Å; I180-V193 WeakPolarHBondContact O-CG2 3.16Å; I180-V193 PolarHBondContact O-N 2.84Å; I180-F201 HydrophobicContact CB-CD1 3.82Å; I180-F201 HydrophobicContact CB-CE1 3.97Å; I180-F201 HydrophobicContact CD1-CB 4.37Å; I180-F201 HydrophobicContact CD1-CD1 3.84Å; I180-F201 HydrophobicContact CD1-CD2 4.29Å; I180-F201 HydrophobicContact CD1-CE1 4.08Å; I180-F201 HydrophobicContact CD1-CG 3.94Å; I180-F201 HydrophobicContact CD1-CZ 4.44Å; I180-F201 HydrophobicContact CG1-CD1 3.88Å; I180-F201 HydrophobicContact CG1-CE1 3.79Å; I180-F201 HydrophobicContact CG1-CG 4.49Å; I180-F201 HydrophobicContact CG1-CZ 4.35Å; I180-M203 HydrophobicContact CD1-CE 4.16Å; I180-M203 HydrophobicContact CD1-SD 3.81Å; I180-M203 HydrophobicContact CG2-CE 4.15Å; I180-M203 HydrophobicContact CG2-CG 4.41Å; I180-M203 HydrophobicContact CG2-SD 4.39Å; I180-L211 HydrophobicContact CG1-CD1 4.03Å; I180-W275 HydrophobicContact CD1-CH2 4.13Å; I180-W275 HydrophobicContact CD1-CZ3 3.65Å; I180-W275 HydrophobicContact CG1-CZ3 4.14Å; I180-F297 HydrophobicContact CD1-CE2 4.11Å; I180-F297 HydrophobicContact CD1-CZ 3.61Å
181R91Very high82.9Confident74 Ų7443.4 Ų43.428%0.27926%0.257SS..EExtended strand (participates in β ladder)trans-121.8140.4178.9-51.9-160.6-179.7165.81110.6D179 F190 T191 P192 K209 R210 F212D179-R181 WeakPolarHBondContact OD2-CG 3.42Å; D179-R181 IonicContact OD2-CZ 2.72Å; D179-R181 IonicContact OD2-NE 3.37Å; D179-R181 PolarHBondContact OD2-NE 2.99Å; D179-R181 IonicContact OD2-NH2 3.88Å; R181-F190 HydrophobicContact CB-CB 3.76Å; R181-F190 WeakPolarHBondContact CD-O 3.47Å; R181-T191 CarbonylContact C-O 3.59Å; R181-T191 WeakPolarHBondContact CA-O 3.27Å; R181-T191 WeakPolarHBondContact CB-O 3.36Å; R181-P192 HydrophobicContact CG-CG 4.36Å; R181-K209 CarbonylContact O-C 3.57Å; R181-K209 VanDerWaalsContact O-CA 3.26Å; R181-K209 WeakPolarHBondContact O-CA 3.43Å; R181-R210 PolarHBondContact N-O 2.78Å; R181-R210 PolarHBondContact O-N 2.86Å; R181-F212 HydrophobicContact CB-CD2 4.21Å; R181-F212 HydrophobicContact CB-CE2 3.98Å; R181-F212 HydrophobicContact CG-CD2 3.62Å; R181-F212 HydrophobicContact CG-CE2 3.72Å
182E90Very high83.4Confident1 Ų142.9 Ų42.91%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-111141.6179.6-84.6176.2-176.400110.9D184 F190 T191 V193 M203 R204 T207 A208 K209E182-D184 PolarHBondContact O-N 2.97Å; E182-F190 CarbonylContact O-C 3.51Å; E182-F190 WeakPolarHBondContact O-CA 3.17Å; E182-T191 PolarHBondContact N-O 2.83Å; E182-T191 PolarHBondContact O-N 3.23Å; E182-T191 PolarHBondContact O-OG1 3.47Å; E182-V193 HydrophobicContact CB-CG1 4.02Å; E182-V193 HydrophobicContact CG-CG1 3.57Å; E182-M203 WeakPolarHBondContact OE1-CA 3.22Å; E182-M203 WeakPolarHBondContact OE1-CB 3.49Å; E182-R204 PolarHBondContact OE1-N 2.98Å; E182-R204 IonicContact OE2-CZ 3.36Å; E182-R204 IonicContact OE2-NH1 3.67Å; E182-R204 PolarHBondContact OE2-NH1 3.47Å; E182-T207 HydrophobicContact CB-CG2 3.82Å; E182-T207 HydrophobicContact CG-CG2 3.93Å; E182-A208 WeakPolarHBondContact CA-O 3.39Å; E182-K209 HydrophobicContact CG-CG 3.75Å; E182-K209 WeakPolarHBondContact OE1-CE 3.3Å
183D87.1Confident83.7Confident42 Ų4243 Ų4323%0.22525%0.253CS..EExtended strand (participates in β ladder)trans-56.2126.9168.5-172.3-16.7000109.4G185 S187 F190 T207 A208D183-G185 VanDerWaalsContact C-N 3.25Å; D183-G185 PolarHBondContact O-N 2.83Å; D183-G185 PolarHBondContact OD1-N 2.93Å; D183-S187 PolarHBondContact OD1-N 2.99Å; D183-F190 HydrophobicContact CB-CD1 4.49Å; D183-F190 HydrophobicContact CB-CE1 4.11Å; D183-F190 HydrophobicContact CB-CZ 4.21Å; D183-T207 WeakPolarHBondContact O-CG2 3.39Å; D183-A208 HydrophobicContact CB-CB 4.12Å; D183-A208 PolarHBondContact N-O 2.74Å
184D76Confident83.7Confident80 Ų8041.7 Ų41.743%0.42825%0.245SC..  trans-84.42.7180657.8000113.6E182 S186 N189 T191E182-D184 PolarHBondContact O-N 2.97Å; D184-S186 WeakPolarHBondContact OD1-CB 3.26Å; D184-S186 PolarHBondContact OD1-N 3.37Å; D184-S186 PolarHBondContact OD1-OG 3.22Å; D184-N189 PolarHBondContact N-O 2.87Å; D184-N189 WeakPolarHBondContact OD2-CB 3.31Å; D184-T191 HydrophobicContact CB-CG2 3.88Å
185G70.5Confident83.6Confident71 Ų7141.8 Ų41.873%0.73225%0.245SC*.SBendtrans91.8-3-176.400000113.5D183 S187D183-G185 VanDerWaalsContact C-N 3.25Å; D183-G185 PolarHBondContact O-N 2.83Å; D183-G185 PolarHBondContact OD1-N 2.93Å; G185-S187 VanDerWaalsContact C-N 3.27Å
186S63.5Low83Confident51 Ų5141 Ų4136%0.35725%0.245SC..SBendtrans-77.6-10.4171.169.50000113.5D184 V188 N189D184-S186 WeakPolarHBondContact OD1-CB 3.26Å; D184-S186 PolarHBondContact OD1-N 3.37Å; D184-S186 PolarHBondContact OD1-OG 3.22Å; S186-V188 PolarHBondContact O-N 3.42Å; S186-V188 PolarHBondContact OG-N 3.09Å; S186-N189 WeakPolarHBondContact OG-CB 3.39Å; S186-N189 PolarHBondContact OG-N 2.87Å; S186-N189 VanDerWaalsContact OG-N 3.09Å
187S61.7Low82.1Confident99 Ų9947.8 Ų47.869%0.69227%0.274SS*.SBendtrans62.5-6.7-171.572.80000116.1D183 G185D183-S187 PolarHBondContact OD1-N 2.99Å; G185-S187 VanDerWaalsContact C-N 3.27Å
188V65.2Low81.1Confident111 Ų11147.6 Ų47.667%0.67328%0.279SS*.SBendtrans-107.3-39.8-179.9-1790000111S186S186-V188 PolarHBondContact O-N 3.42Å; S186-V188 PolarHBondContact OG-N 3.09Å
189N74.9Confident80.4Confident89 Ų8949.1 Ų49.148%0.47629%0.286SS..  trans-103.2135.8-170.5-64.9-31000112.9D184 S186D184-N189 PolarHBondContact N-O 2.87Å; D184-N189 WeakPolarHBondContact OD2-CB 3.31Å; S186-N189 WeakPolarHBondContact OG-CB 3.39Å; S186-N189 PolarHBondContact OG-N 2.87Å; S186-N189 VanDerWaalsContact OG-N 3.09Å
190F85.6Confident80.2Confident35 Ų3549.6 Ų49.615%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-111.9115.3171-78.8-101.1000109.2R181 E182 D183 A208 R210R181-F190 HydrophobicContact CB-CB 3.76Å; R181-F190 WeakPolarHBondContact CD-O 3.47Å; E182-F190 CarbonylContact O-C 3.51Å; E182-F190 WeakPolarHBondContact O-CA 3.17Å; D183-F190 HydrophobicContact CB-CD1 4.49Å; D183-F190 HydrophobicContact CB-CE1 4.11Å; D183-F190 HydrophobicContact CB-CZ 4.21Å; F190-A208 HydrophobicContact CE1-CB 4.33Å; F190-A208 HydrophobicContact CZ-CB 4.45Å; F190-R210 HydrophobicContact CD1-CB 4.09Å; F190-R210 HydrophobicContact CD1-CG 3.83Å; F190-R210 HydrophobicContact CE1-CB 4.42Å; F190-R210 HydrophobicContact CE1-CG 3.76Å; F190-R210 VanDerWaalsContact CE2-CZ 3.47Å; F190-R210 HydrophobicContact CG-CG 4.27Å; F190-R210 HydrophobicContact CZ-CG 4.16Å
191T86.3Confident80.1Confident49 Ų4949.7 Ų49.730%0.30129%0.289SS..EExtended strand (participates in β ladder)trans-96.3136.6-175.658.50000111.8R181 E182 D184 V193R181-T191 CarbonylContact C-O 3.59Å; R181-T191 WeakPolarHBondContact CA-O 3.27Å; R181-T191 WeakPolarHBondContact CB-O 3.36Å; E182-T191 PolarHBondContact N-O 2.83Å; E182-T191 PolarHBondContact O-N 3.23Å; E182-T191 PolarHBondContact O-OG1 3.47Å; D184-T191 HydrophobicContact CB-CG2 3.88Å; T191-V193 PolarHBondContact O-N 2.86Å
192P90Very high80.1Confident35 Ų3547.5 Ų47.523%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-56.5126.9176.2-25.133.5000112.7R181 R335R181-P192 HydrophobicContact CG-CG 4.36Å; P192-R335 HydrophobicContact CB-CB 4.2Å; P192-R335 PolarHBondContact O-NH1 2.7Å
193V89.8Confident80Confident2 Ų247.5 Ų47.51%0.01228%0.281CS..PPolyproline II helixtrans-69141.5176.5-53.50000109.9I180 E182 T191 K195 F201 K202 M203I180-V193 HydrophobicContact CB-CG2 3.96Å; I180-V193 HydrophobicContact CG2-CG1 4.15Å; I180-V193 HydrophobicContact CG2-CG2 4.22Å; I180-V193 WeakPolarHBondContact O-CG2 3.16Å; I180-V193 PolarHBondContact O-N 2.84Å; E182-V193 HydrophobicContact CB-CG1 4.02Å; E182-V193 HydrophobicContact CG-CG1 3.57Å; T191-V193 PolarHBondContact O-N 2.86Å; V193-K195 PolarHBondContact O-NZ 2.89Å; V193-F201 HydrophobicContact CG2-CB 4.08Å; V193-F201 HydrophobicContact CG2-CD1 3.66Å; V193-F201 HydrophobicContact CG2-CG 4.37Å; V193-K202 WeakPolarHBondContact CB-O 3.27Å; V193-M203 HydrophobicContact CG1-CG 4.49Å; V193-M203 HydrophobicContact CG2-CG 4.27Å
194P87.9Confident80.1Confident1 Ų148.3 Ų48.31%0.00628%0.281CS..PPolyproline II helixtrans-68151177.622.6-24.4000111.1K202 F329 L333 D334P194-K202 HydrophobicContact CG-CB 4.25Å; P194-K202 WeakPolarHBondContact O-CB 3.39Å; P194-K202 PolarHBondContact O-N 3.48Å; P194-F329 HydrophobicContact CG-CB 3.67Å; P194-F329 HydrophobicContact CG-CD1 4.14Å; P194-F329 HydrophobicContact CG-CD2 3.32Å; P194-F329 HydrophobicContact CG-CE2 3.92Å; P194-F329 HydrophobicContact CG-CG 3.44Å; P194-F329 VanDerWaalsContact CG-CG 3.44Å; P194-L333 HydrophobicContact CB-CB 3.59Å; P194-L333 HydrophobicContact CB-CD1 4.06Å; P194-L333 HydrophobicContact CB-CG 4.49Å; P194-D334 CarbonylContact C-O 3.56Å
195K86.8Confident80.7Confident2 Ų248.2 Ų48.21%0.00928%0.277CS..EExtended strand (participates in β ladder)trans-121.3132-176.8-57.8168.5-176.573.50109.9D179 V193 L200 F201 D334 K336 V338D179-K195 IonicContact OD1-NZ 3.69Å; D179-K195 PolarHBondContact OD1-NZ 2.91Å; V193-K195 PolarHBondContact O-NZ 2.89Å; K195-L200 CarbonylContact C-O 3.51Å; K195-L200 VanDerWaalsContact CA-O 3.28Å; K195-L200 WeakPolarHBondContact CA-O 3.45Å; K195-F201 HydrophobicContact CD-CD1 4.4Å; K195-F201 HydrophobicContact CD-CE1 4.3Å; K195-F201 HydrophobicContact CG-CD1 4.21Å; K195-D334 VanDerWaalsContact CB-O 3.29Å; K195-D334 WeakPolarHBondContact CB-O 3.48Å; K195-D334 WeakPolarHBondContact CG-O 3.36Å; K195-D334 PolarHBondContact N-O 3.48Å; K195-K336 VanDerWaalsContact CD-O 3.28Å; K195-K336 WeakPolarHBondContact CD-O 3.42Å; K195-K336 WeakPolarHBondContact CE-O 3.26Å; K195-K336 PolarHBondContact NZ-O 2.88Å; K195-V338 HydrophobicContact CD-CG2 3.91Å
196E76.6Confident81.3Confident54 Ų5448.8 Ų48.825%0.25227%0.27SS..EExtended strand (participates in β ladder)trans-86.8134.5169.7-172.5-171.6142.300108.8S198 E199 L200 K202 R321E196-S198 PolarHBondContact O-N 2.86Å; E196-E199 PolarHBondContact O-N 3.4Å; E196-L200 HydrophobicContact CB-CB 4.11Å; E196-L200 HydrophobicContact CB-CD2 4.07Å; E196-L200 HydrophobicContact CB-CG 4.35Å; E196-L200 HydrophobicContact CG-CD2 4.47Å; E196-L200 PolarHBondContact N-O 3.37Å; E196-L200 WeakPolarHBondContact O-CB 3.46Å; E196-L200 PolarHBondContact O-N 3.45Å; E196-K202 HydrophobicContact CB-CD 4.4Å; E196-R321 IonicContact OE2-CZ 3.05Å; E196-R321 IonicContact OE2-NH1 3.83Å; E196-R321 PolarHBondContact OE2-NH1 3.29Å
197K73Confident82.4Confident143 Ų14347.9 Ų47.962%0.62226%0.262SS*.THydrogen-bonded Turntrans49.432.5-175.9-59.9175.7-174.3-177.50113.4E199 E404K197-E199 PolarHBondContact O-N 2.85Å; K197-E404 IonicContact NZ-OE1 3.98Å
198S70.5Confident83.6Confident54 Ų5445.8 Ų45.838%0.37825%0.251SS..THydrogen-bonded Turntrans56.96-178.1-60.50000117.1E196 D334E196-S198 PolarHBondContact O-N 2.86Å; S198-D334 WeakPolarHBondContact CB-OD2 3.49Å; S198-D334 PolarHBondContact OG-OD2 2.77Å
199E78.3Confident84.7Confident36 Ų3641 Ų4117%0.16822%0.221CC..THydrogen-bonded Turntrans-131.7-20.7-179.3-65.5-157.3149.200115.5E196 K197 R316 R319E196-E199 PolarHBondContact O-N 3.4Å; K197-E199 PolarHBondContact O-N 2.85Å; E199-R316 IonicContact OE1-CZ 3.93Å; E199-R316 IonicContact OE1-NH2 3.2Å; E199-R316 PolarHBondContact OE1-NH2 3.17Å; E199-R316 IonicContact OE2-NH2 2.87Å; E199-R319 IonicContact OE2-CZ 3.59Å; E199-R319 IonicContact OE2-NE 2.71Å; E199-R319 IonicContact OE2-NH2 3.72Å; E199-R319 PolarHBondContact OE2-NH2 3.15Å
200L87.6Confident85.3Confident13 Ų1340 Ų407%0.06821%0.211CC..EExtended strand (participates in β ladder)trans-96.5100.5-179.1175.269000110.1K195 E196 K202 C294 R319 A320 R321K195-L200 CarbonylContact C-O 3.51Å; K195-L200 VanDerWaalsContact CA-O 3.28Å; K195-L200 WeakPolarHBondContact CA-O 3.45Å; E196-L200 HydrophobicContact CB-CB 4.11Å; E196-L200 HydrophobicContact CB-CD2 4.07Å; E196-L200 HydrophobicContact CB-CG 4.35Å; E196-L200 HydrophobicContact CG-CD2 4.47Å; E196-L200 PolarHBondContact N-O 3.37Å; E196-L200 WeakPolarHBondContact O-CB 3.46Å; E196-L200 PolarHBondContact O-N 3.45Å; L200-K202 PolarHBondContact O-N 2.84Å; L200-C294 HydrophobicContact CD1-CB 3.64Å; L200-R319 WeakPolarHBondContact CA-O 3.33Å; L200-R319 HydrophobicContact CB-CB 4.3Å; L200-R319 HydrophobicContact CD1-CB 3.53Å; L200-A320 VanDerWaalsContact CD1-C 3.44Å; L200-R321 HydrophobicContact CD1-CB 4.34Å
201F90.6Very high85.6Confident2 Ų238.4 Ų38.41%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-63.8125.6177.8-66.2-94.9000111.1I180 V193 K195 M203 F297 C318 R319 A320 R321 V338I180-F201 HydrophobicContact CB-CD1 3.82Å; I180-F201 HydrophobicContact CB-CE1 3.97Å; I180-F201 HydrophobicContact CD1-CB 4.37Å; I180-F201 HydrophobicContact CD1-CD1 3.84Å; I180-F201 HydrophobicContact CD1-CD2 4.29Å; I180-F201 HydrophobicContact CD1-CE1 4.08Å; I180-F201 HydrophobicContact CD1-CG 3.94Å; I180-F201 HydrophobicContact CD1-CZ 4.44Å; I180-F201 HydrophobicContact CG1-CD1 3.88Å; I180-F201 HydrophobicContact CG1-CE1 3.79Å; I180-F201 HydrophobicContact CG1-CG 4.49Å; I180-F201 HydrophobicContact CG1-CZ 4.35Å; V193-F201 HydrophobicContact CG2-CB 4.08Å; V193-F201 HydrophobicContact CG2-CD1 3.66Å; V193-F201 HydrophobicContact CG2-CG 4.37Å; K195-F201 HydrophobicContact CD-CD1 4.4Å; K195-F201 HydrophobicContact CD-CE1 4.3Å; K195-F201 HydrophobicContact CG-CD1 4.21Å; F201-M203 HydrophobicContact CB-CG 4.27Å; F201-M203 HydrophobicContact CB-SD 4.09Å; F201-F297 HydrophobicContact CD2-CE1 4.29Å; F201-F297 AromaticContact CD2-CZ 3.87Å; F201-F297 HydrophobicContact CD2-CZ 3.87Å; F201-F297 HydrophobicContact CE2-CZ 4.09Å; F201-C318 HydrophobicContact CD2-CB 4.41Å; F201-C318 HydrophobicContact CE2-CB 4.06Å; F201-R319 WeakPolarHBondContact CD2-O 3.45Å; F201-R319 PolarHBondContact N-O 3.03Å; F201-A320 HydrophobicContact CB-CB 4.2Å; F201-A320 CarbonylContact O-C 3.55Å; F201-A320 WeakPolarHBondContact O-CA 3.42Å; F201-R321 PolarHBondContact O-N 2.9Å; F201-V338 HydrophobicContact CE1-CG2 4.22Å; F201-V338 HydrophobicContact CE2-CB 4.48Å; F201-V338 HydrophobicContact CE2-CG2 3.62Å; F201-V338 HydrophobicContact CZ-CB 4.14Å; F201-V338 HydrophobicContact CZ-CG2 3.42Å; F201-V338 VanDerWaalsContact CZ-CG2 3.42Å
202K89.4Confident85.7Confident28 Ų2838.1 Ų38.112%0.12220%0.198CC..EExtended strand (participates in β ladder)trans-98.5102.5176.5-57.7-175.369.71710109.7V193 P194 E196 L200 Y323 F329 L333V193-K202 WeakPolarHBondContact CB-O 3.27Å; P194-K202 HydrophobicContact CG-CB 4.25Å; P194-K202 WeakPolarHBondContact O-CB 3.39Å; P194-K202 PolarHBondContact O-N 3.48Å; E196-K202 HydrophobicContact CB-CD 4.4Å; L200-K202 PolarHBondContact O-N 2.84Å; K202-Y323 HydrophobicContact CB-CD2 4.22Å; K202-Y323 HydrophobicContact CB-CE2 3.89Å; K202-Y323 HydrophobicContact CD-CE2 4.31Å; K202-Y323 WeakPolarHBondContact CE-OH 3.2Å; K202-Y323 HydrophobicContact CG-CE2 4.03Å; K202-Y323 PolarHBondContact NZ-OH 3.07Å; K202-F329 HydrophobicContact CB-CE1 3.86Å; K202-F329 HydrophobicContact CB-CZ 3.86Å; K202-F329 HydrophobicContact CD-CE1 4.44Å; K202-F329 WeakPolarHBondContact O-CE2 3.42Å; K202-F329 WeakPolarHBondContact O-CZ 3.34Å; K202-L333 HydrophobicContact CD-CD1 3.65Å
203M89.6Confident85.7Confident0 Ų036.7 Ų36.70%019%0.189CC..EExtended strand (participates in β ladder)trans-109.6149.9-171-64.7159.867.300110.2I180 E182 V193 F201 K209 W275 F285 A320 R321 V322 Y323I180-M203 HydrophobicContact CD1-CE 4.16Å; I180-M203 HydrophobicContact CD1-SD 3.81Å; I180-M203 HydrophobicContact CG2-CE 4.15Å; I180-M203 HydrophobicContact CG2-CG 4.41Å; I180-M203 HydrophobicContact CG2-SD 4.39Å; E182-M203 WeakPolarHBondContact OE1-CA 3.22Å; E182-M203 WeakPolarHBondContact OE1-CB 3.49Å; V193-M203 HydrophobicContact CG1-CG 4.49Å; V193-M203 HydrophobicContact CG2-CG 4.27Å; F201-M203 HydrophobicContact CB-CG 4.27Å; F201-M203 HydrophobicContact CB-SD 4.09Å; M203-K209 HydrophobicContact CE-CD 3.61Å; M203-W275 HydrophobicContact CE-CH2 3.89Å; M203-W275 HydrophobicContact CE-CZ2 4.14Å; M203-W275 HydrophobicContact CE-CZ3 4.17Å; M203-F285 HydrophobicContact CE-CD1 4.44Å; M203-A320 HydrophobicContact SD-CB 3.55Å; M203-A320 VanDerWaalsContact SD-CB 3.55Å; M203-R321 PolarHBondContact N-O 2.67Å; M203-V322 CarbonylContact O-C 3.5Å; M203-V322 WeakPolarHBondContact O-CA 3.26Å; M203-Y323 PolarHBondContact O-N 3.46Å
204R88Confident85.6Confident60 Ų6037.1 Ų37.123%0.22619%0.194CC..EExtended strand (participates in β ladder)trans-95.7138.2174.4-63.4-172.3-164.896.2-20.2111E182 S206 T207 K209 A325 E327 F329E182-R204 PolarHBondContact OE1-N 2.98Å; E182-R204 IonicContact OE2-CZ 3.36Å; E182-R204 IonicContact OE2-NH1 3.67Å; E182-R204 PolarHBondContact OE2-NH1 3.47Å; R204-S206 PolarHBondContact O-N 2.81Å; R204-T207 WeakPolarHBondContact CB-OG1 3.39Å; R204-K209 WeakPolarHBondContact O-CE 3.47Å; R204-K209 PolarHBondContact O-NZ 3.34Å; R204-A325 WeakPolarHBondContact CD-O 3.3Å; R204-E327 PolarHBondContact NE-O 3.4Å; R204-F329 HydrophobicContact CG-CE2 3.92Å; R204-F329 HydrophobicContact CG-CZ 4.11Å
205K88.1Confident85.6Confident77 Ų7737.2 Ų37.234%0.33519%0.194SC..THydrogen-bonded Turntrans-57.8135.8172.6173.1174.1-176.4131.70111.2T207 D286 I288 V322 Y323K205-T207 PolarHBondContact O-N 3.42Å; K205-T207 VanDerWaalsContact O-N 3.07Å; K205-D286 WeakPolarHBondContact CA-OD1 3.25Å; K205-D286 WeakPolarHBondContact CD-O 3.3Å; K205-D286 VanDerWaalsContact CE-O 3.28Å; K205-D286 WeakPolarHBondContact CE-O 3.42Å; K205-D286 HydrophobicContact CG-CB 4.13Å; K205-D286 PolarHBondContact NZ-O 3.09Å; K205-I288 HydrophobicContact CB-CG1 4.34Å; K205-I288 HydrophobicContact CD-CD1 4.06Å; K205-I288 HydrophobicContact CD-CG1 4.1Å; K205-V322 HydrophobicContact CB-CG1 4.07Å; K205-Y323 VanDerWaalsContact CB-O 3.28Å; K205-Y323 WeakPolarHBondContact CB-O 3.25Å; K205-Y323 PolarHBondContact N-O 2.89Å
206S84.7Confident85.6Confident83 Ų8338.4 Ų38.458%0.5820%0.203SC*.THydrogen-bonded Turntrans6113.6170.8-54.10000116R204 D286R204-S206 PolarHBondContact O-N 2.81Å; S206-D286 VanDerWaalsContact CA-OD2 3.31Å; S206-D286 WeakPolarHBondContact CA-OD2 3.34Å; S206-D286 VanDerWaalsContact N-CG 3.25Å; S206-D286 PolarHBondContact N-OD1 2.92Å; S206-D286 PolarHBondContact N-OD2 3.45Å; S206-D286 PolarHBondContact OG-OD2 2.81Å
207T85.5Confident85.8Confident32 Ų3236.8 Ų36.820%0.19620%0.196CC..  trans-81.8139.2165.2-49.20000110.3E182 D183 R204 K205 K209E182-T207 HydrophobicContact CB-CG2 3.82Å; E182-T207 HydrophobicContact CG-CG2 3.93Å; D183-T207 WeakPolarHBondContact O-CG2 3.39Å; R204-T207 WeakPolarHBondContact CB-OG1 3.39Å; K205-T207 PolarHBondContact O-N 3.42Å; K205-T207 VanDerWaalsContact O-N 3.07Å; T207-K209 WeakPolarHBondContact O-CG 3.44Å; T207-K209 PolarHBondContact O-NZ 2.85Å
208A86.7Confident86.1Confident55 Ų5533.6 Ų33.646%0.45519%0.185SC..  trans-65.2138.9174.500000110.9E182 D183 F190E182-A208 WeakPolarHBondContact CA-O 3.39Å; D183-A208 HydrophobicContact CB-CB 4.12Å; D183-A208 PolarHBondContact N-O 2.74Å; F190-A208 HydrophobicContact CE1-CB 4.33Å; F190-A208 HydrophobicContact CZ-CB 4.45Å
209K88.2Confident86Confident11 Ų1133 Ų335%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-130.6150.1-171-68.2155.5-17891.90111.9R181 E182 M203 R204 T207 W275 D286R181-K209 CarbonylContact O-C 3.57Å; R181-K209 VanDerWaalsContact O-CA 3.26Å; R181-K209 WeakPolarHBondContact O-CA 3.43Å; E182-K209 HydrophobicContact CG-CG 3.75Å; E182-K209 WeakPolarHBondContact OE1-CE 3.3Å; M203-K209 HydrophobicContact CE-CD 3.61Å; R204-K209 WeakPolarHBondContact O-CE 3.47Å; R204-K209 PolarHBondContact O-NZ 3.34Å; T207-K209 WeakPolarHBondContact O-CG 3.44Å; T207-K209 PolarHBondContact O-NZ 2.85Å; K209-W275 HydrophobicContact CB-CB 3.58Å; K209-W275 HydrophobicContact CB-CD2 4.24Å; K209-W275 HydrophobicContact CB-CE3 4.36Å; K209-W275 HydrophobicContact CB-CG 3.94Å; K209-W275 HydrophobicContact CD-CD2 4.37Å; K209-W275 HydrophobicContact CD-CG 4.4Å; K209-W275 WeakPolarHBondContact O-CB 3.49Å; K209-W275 PolarHBondContact O-N 3.22Å; K209-D286 IonicContact NZ-OD1 3.06Å
210R88.9Confident85.2Confident69 Ų6932.3 Ų32.326%0.2618%0.18SC..EExtended strand (participates in β ladder)trans-128.6134.9168.5-74.5177.9-179.7175.44109.8R181 F190 F212 W272 V273R181-R210 PolarHBondContact N-O 2.78Å; R181-R210 PolarHBondContact O-N 2.86Å; F190-R210 HydrophobicContact CD1-CB 4.09Å; F190-R210 HydrophobicContact CD1-CG 3.83Å; F190-R210 HydrophobicContact CE1-CB 4.42Å; F190-R210 HydrophobicContact CE1-CG 3.76Å; F190-R210 VanDerWaalsContact CE2-CZ 3.47Å; F190-R210 HydrophobicContact CG-CG 4.27Å; F190-R210 HydrophobicContact CZ-CG 4.16Å; R210-F212 HydrophobicContact CB-CD2 4.15Å; R210-F212 HydrophobicContact CB-CE2 3.7Å; R210-W272 HydrophobicContact CG-CE3 3.98Å; R210-W272 HydrophobicContact CG-CZ3 4.32Å; R210-V273 WeakPolarHBondContact CA-O 3.28Å
211L90.1Very high84Confident1 Ų139.9 Ų39.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-95.1114.3171.8175.365.1000108.2I180 V213 V232 L248 W272 V273 W275 V299I180-L211 HydrophobicContact CG1-CD1 4.03Å; L211-V213 HydrophobicContact CG-CG2 4.24Å; L211-V232 HydrophobicContact CD2-CG1 3.78Å; L211-L248 HydrophobicContact CD2-CD1 4.13Å; L211-W272 CarbonylContact O-C 3.52Å; L211-W272 VanDerWaalsContact O-CA 3.23Å; L211-W272 WeakPolarHBondContact O-CA 3.37Å; L211-V273 HydrophobicContact CB-CG2 3.9Å; L211-V273 HydrophobicContact CD2-CG2 4.23Å; L211-V273 HydrophobicContact CG-CG2 4.38Å; L211-V273 PolarHBondContact N-O 2.69Å; L211-V273 PolarHBondContact O-N 2.78Å; L211-W275 HydrophobicContact CB-CE3 4.49Å; L211-V299 HydrophobicContact CD2-CG1 4Å; L211-V299 HydrophobicContact CD2-CG2 4.24Å
212F90.2Very high83.2Confident43 Ų4340 Ų4019%0.18921%0.208CC..EExtended strand (participates in β ladder)trans-93.3136.2174.9-77.3-104.2000109.7L178 D179 R181 R210 W272L178-F212 WeakPolarHBondContact CA-O 3.4Å; D179-F212 HydrophobicContact CB-CB 4.23Å; D179-F212 PolarHBondContact N-O 3.13Å; D179-F212 PolarHBondContact O-N 3.47Å; R181-F212 HydrophobicContact CB-CD2 4.21Å; R181-F212 HydrophobicContact CB-CE2 3.98Å; R181-F212 HydrophobicContact CG-CD2 3.62Å; R181-F212 HydrophobicContact CG-CE2 3.72Å; R210-F212 HydrophobicContact CB-CD2 4.15Å; R210-F212 HydrophobicContact CB-CE2 3.7Å; F212-W272 HydrophobicContact CD1-CB 3.71Å; F212-W272 HydrophobicContact CD1-CG 4.35Å; F212-W272 HydrophobicContact CD2-CB 4.05Å; F212-W272 HydrophobicContact CE1-CB 3.76Å; F212-W272 AromaticContact CE1-CD1 3.85Å; F212-W272 AromaticContact CE1-CG 3.93Å; F212-W272 HydrophobicContact CE1-CG 3.93Å; F212-W272 HydrophobicContact CE2-CB 4.1Å; F212-W272 HydrophobicContact CG-CB 3.86Å; F212-W272 HydrophobicContact CZ-CB 3.96Å; F212-W272 HydrophobicContact CZ-CG 4.04Å
213V89.7Confident82.4Confident5 Ų542.4 Ų42.43%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-131126-177.3-178.10000108.8L176 H177 L178 L211 I229 V232 S270 T271 V301L176-V213 HydrophobicContact CD1-CG1 3.98Å; H177-V213 CarbonylContact O-C 3.53Å; H177-V213 WeakPolarHBondContact O-CA 3.48Å; L178-V213 HydrophobicContact CD2-CB 4.29Å; L178-V213 HydrophobicContact CD2-CG1 4.17Å; L178-V213 HydrophobicContact CD2-CG2 3.77Å; L211-V213 HydrophobicContact CG-CG2 4.24Å; V213-I229 HydrophobicContact CG1-CD1 4.32Å; V213-V232 HydrophobicContact CB-CG2 4.45Å; V213-V232 HydrophobicContact CG2-CG1 3.93Å; V213-V232 HydrophobicContact CG2-CG2 3.88Å; V213-S270 CarbonylContact O-C 3.54Å; V213-S270 VanDerWaalsContact O-CA 3.26Å; V213-S270 WeakPolarHBondContact O-CA 3.17Å; V213-T271 HydrophobicContact CB-CG2 4.32Å; V213-T271 PolarHBondContact N-O 3.22Å; V213-T271 PolarHBondContact O-N 2.91Å; V213-T271 VanDerWaalsContact O-O 3.12Å; V213-V301 HydrophobicContact CG1-CB 4.35Å; V213-V301 HydrophobicContact CG1-CG1 3.81Å; V213-V301 HydrophobicContact CG1-CG2 3.58Å; V213-V301 HydrophobicContact CG2-CG2 4.36Å
214G87Confident81.9Confident11 Ų1142.4 Ų42.411%0.11322%0.217CC..EExtended strand (participates in β ladder)trans-124144.6170.500000111.1L176 H177 F269L176-G214 CarbonylContact C-O 3.55Å; L176-G214 WeakPolarHBondContact CA-O 3.31Å; H177-G214 PolarHBondContact N-O 3.47Å; H177-G214 PolarHBondContact O-N 2.95Å; G214-F269 CarbonylContact C-O 3.56Å; G214-F269 VanDerWaalsContact CA-O 3.26Å; G214-F269 WeakPolarHBondContact CA-O 3.33Å
215V88.7Confident81.3Confident2 Ų240.6 Ų40.61%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-132.6131.3171.4178.90000108.8L174 R175 L176 I226 S268 F269 L303 L314L174-V215 HydrophobicContact CB-CG1 4.26Å; L174-V215 HydrophobicContact CD1-CG1 3.95Å; L174-V215 HydrophobicContact CG-CG1 4.48Å; R175-V215 CarbonylContact O-C 3.59Å; R175-V215 VanDerWaalsContact O-CA 3.31Å; R175-V215 WeakPolarHBondContact O-CA 3.42Å; L176-V215 HydrophobicContact CD1-CG2 3.84Å; V215-I226 HydrophobicContact CG1-CD1 4Å; V215-S268 CarbonylContact O-C 3.59Å; V215-S268 VanDerWaalsContact O-CA 3.28Å; V215-S268 WeakPolarHBondContact O-CA 3.43Å; V215-F269 PolarHBondContact N-O 2.87Å; V215-F269 PolarHBondContact O-N 3.09Å; V215-L303 HydrophobicContact CG1-CD1 4Å; V215-L303 HydrophobicContact CG2-CD1 4.35Å; V215-L303 HydrophobicContact CG2-CD2 4.12Å; V215-L314 HydrophobicContact CG1-CD1 4.46Å; V215-L314 HydrophobicContact CG2-CD1 4.32Å
216S85.5Confident80.9Confident28 Ų2837.3 Ų37.320%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-139.6129.9179.856.50000111.1R175 H177R175-S216 PolarHBondContact N-O 3.26Å; R175-S216 PolarHBondContact O-N 2.71Å; H177-S216 PolarHBondContact NE2-OG 2.85Å
217Q82.4Confident80.5Confident20 Ų2037.6 Ų37.69%0.09319%0.194CC..EExtended strand (participates in β ladder)trans-71.3132.5173.5-175.9171.1-13.900111.4V172 L174 D219 V222 T267V172-Q217 HydrophobicContact CG1-CG 3.95Å; L174-Q217 HydrophobicContact CD2-CB 3.68Å; L174-Q217 HydrophobicContact CD2-CG 4.08Å; Q217-D219 WeakPolarHBondContact CG-O 3.34Å; Q217-D219 PolarHBondContact NE2-O 3.3Å; Q217-V222 PolarHBondContact NE2-O 2.94Å; Q217-T267 PolarHBondContact N-O 2.83Å
218L77.8Confident80.1Confident76 Ų7636.6 Ų36.640%0.39819%0.191SC..  trans-99.7-36.6-176.1-63.3-173.6000114.2T173 R175 D341T173-L218 HydrophobicContact CG2-CB 4.33Å; T173-L218 HydrophobicContact CG2-CD1 3.98Å; T173-L218 HydrophobicContact CG2-CG 4.5Å; T173-L218 PolarHBondContact O-N 3.45Å; R175-L218 HydrophobicContact CB-CD1 4.04Å; R175-L218 HydrophobicContact CB-CD2 3.85Å; R175-L218 HydrophobicContact CB-CG 3.91Å; L218-D341 HydrophobicContact CD1-CB 4.49Å; L218-D341 WeakPolarHBondContact CD1-OD2 3.47Å
219D69.8Low79.8Confident41 Ų4135.8 Ų35.822%0.21918%0.178CC..  trans-105.6154.4-179.559.118.8000112V172 T173 Q217V172-D219 WeakPolarHBondContact CA-OD1 3.48Å; T173-D219 VanDerWaalsContact CB-OD2 3.27Å; T173-D219 WeakPolarHBondContact CB-OD2 3.48Å; T173-D219 PolarHBondContact N-OD1 3.33Å; T173-D219 PolarHBondContact N-OD2 2.95Å; T173-D219 PolarHBondContact OG1-OD2 3.29Å; Q217-D219 WeakPolarHBondContact CG-O 3.34Å; Q217-D219 PolarHBondContact NE2-O 3.3Å
220G59.8Low79.6Confident21 Ų2138.9 Ų38.922%0.21620%0.195CC..  trans-113.69.4-16500000116.7H140H140-G220 WeakPolarHBondContact ND1-CA 3.42Å; H140-G220 PolarHBondContact ND1-O 2.95Å; H140-G220 VanDerWaalsContact ND1-O 3.09Å
221R63.7Low79.5Confident173 Ų17336.2 Ų36.265%0.65319%0.186SC*.SBendtrans-77.9-35.3-171.8-69.4-176.1175.9177.3-1.9113.8R144R144-R221 WeakPolarHBondContact CD-O 3.31Å
222V72.5Confident79.5Confident5 Ų536.3 Ų36.33%0.0319%0.186CC..SBendtrans-133.7125.5174.1178.60000108.1P170 V172 Q217 L346P170-V222 HydrophobicContact CB-CB 4.37Å; P170-V222 HydrophobicContact CB-CG2 3.43Å; P170-V222 VanDerWaalsContact CB-CG2 3.43Å; P170-V222 HydrophobicContact CG-CG2 4.03Å; V172-V222 HydrophobicContact CG2-CB 3.84Å; V172-V222 HydrophobicContact CG2-CG1 4.36Å; V172-V222 WeakPolarHBondContact CG2-O 3.34Å; Q217-V222 PolarHBondContact NE2-O 2.94Å; V222-L346 HydrophobicContact CG1-CD1 4.44Å
223Y73.4Confident79.5Confident78 Ų7834.4 Ų34.431%0.30618%0.178SC..  trans-70128.9175.4-179.9-130000110.3T138 H140 P225 T267T138-Y223 HydrophobicContact CG2-CD1 3.75Å; T138-Y223 HydrophobicContact CG2-CD2 4.48Å; T138-Y223 HydrophobicContact CG2-CE1 3.7Å; T138-Y223 HydrophobicContact CG2-CE2 4.42Å; T138-Y223 HydrophobicContact CG2-CG 4.14Å; H140-Y223 AromaticContact CD2-CD2 3.47Å; H140-Y223 VanDerWaalsContact CD2-CD2 3.47Å; H140-Y223 WeakPolarHBondContact CD2-CD2 3.35Å; Y223-P225 HydrophobicContact CD1-CB 4.15Å; Y223-P225 HydrophobicContact CD1-CG 4.42Å; Y223-P225 HydrophobicContact CE1-CB 3.65Å; Y223-P225 HydrophobicContact CE1-CG 4.39Å; Y223-P225 WeakPolarHBondContact O-CD 3.32Å; Y223-T267 HydrophobicContact CE2-CG2 3.64Å; Y223-T267 WeakPolarHBondContact OH-CG2 3.35Å
224L79.5Confident79.5Confident0 Ų034.2 Ų34.20%018%0.177CC..  trans-103.996.5171.1-166.865.2000109.3V172 L174 I226 T267 I305 I344 L346 I361V172-L224 HydrophobicContact CG1-CB 4.18Å; V172-L224 HydrophobicContact CG1-CD2 4.32Å; L174-L224 HydrophobicContact CD1-CD2 3.84Å; L174-L224 HydrophobicContact CD2-CD2 4.12Å; L174-L224 HydrophobicContact CG-CD2 4.15Å; L224-I226 VanDerWaalsContact C-N 3.33Å; L224-I226 PolarHBondContact O-N 2.83Å; L224-T267 PolarHBondContact O-OG1 3.47Å; L224-T267 VanDerWaalsContact O-OG1 3.08Å; L224-I305 HydrophobicContact CD1-CD1 4.02Å; L224-I305 HydrophobicContact CD1-CG1 4.36Å; L224-I305 HydrophobicContact CD1-CG2 3.7Å; L224-I305 HydrophobicContact CD2-CD1 4.04Å; L224-I305 HydrophobicContact CG-CD1 4.17Å; L224-I305 HydrophobicContact CG-CG1 4.3Å; L224-I305 HydrophobicContact CG-CG2 4.25Å; L224-I344 HydrophobicContact CD2-CD1 4.06Å; L224-L346 HydrophobicContact CD1-CD2 4.32Å; L224-I361 HydrophobicContact CD1-CD1 3.32Å
225P75.5Confident79.6Confident22 Ų2233.7 Ų33.714%0.14317%0.172CC..  trans-68.885.1179.527.4-36.5000111.7Y223 N227 I305 H306Y223-P225 HydrophobicContact CD1-CB 4.15Å; Y223-P225 HydrophobicContact CD1-CG 4.42Å; Y223-P225 HydrophobicContact CE1-CB 3.65Å; Y223-P225 HydrophobicContact CE1-CG 4.39Å; Y223-P225 WeakPolarHBondContact O-CD 3.32Å; P225-N227 PolarHBondContact O-N 3.21Å; P225-I305 CarbonylContact O-C 3.53Å; P225-I305 WeakPolarHBondContact O-CA 3.3Å; P225-H306 HydrophobicContact CB-CB 3.74Å; P225-H306 HydrophobicContact CG-CB 3.65Å; P225-H306 PolarHBondContact O-N 2.83Å
226I79.4Confident79.6Confident8 Ų837.6 Ų37.64%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-68.6118.6169.8-57.2173.5000108L174 V215 L224 T267 F269 L303 L304L174-I226 HydrophobicContact CD1-CD1 4.19Å; L174-I226 HydrophobicContact CD2-CD1 4.3Å; V215-I226 HydrophobicContact CG1-CD1 4Å; L224-I226 VanDerWaalsContact C-N 3.33Å; L224-I226 PolarHBondContact O-N 2.83Å; I226-T267 HydrophobicContact CB-CG2 4.42Å; I226-T267 WeakPolarHBondContact CD1-OG1 3.44Å; I226-F269 HydrophobicContact CB-CD2 3.92Å; I226-F269 HydrophobicContact CB-CE2 3.73Å; I226-F269 HydrophobicContact CG2-CD2 3.59Å; I226-F269 HydrophobicContact CG2-CE2 3.67Å; I226-F269 HydrophobicContact CG2-CG 4.29Å; I226-F269 HydrophobicContact CG2-CZ 4.4Å; I226-F269 WeakPolarHBondContact O-CE2 3.37Å; I226-F269 WeakPolarHBondContact O-CZ 3.4Å; I226-L303 HydrophobicContact CD1-CD1 4.36Å; I226-L304 CarbonylContact C-O 3.57Å; I226-L304 WeakPolarHBondContact CA-O 3.35Å
227N76.8Confident79.6Confident88 Ų8837.1 Ų37.147%0.47119%0.186SC..EExtended strand (participates in β ladder)trans-78.3-29.7174.1-73.8-21.9000111.7P225 L304P225-N227 PolarHBondContact O-N 3.21Å; N227-L304 HydrophobicContact CB-CB 3.98Å; N227-L304 PolarHBondContact N-O 3.29Å
228G76.8Confident79.9Confident12 Ų1242.1 Ų42.112%0.12420%0.204CC..EExtended strand (participates in β ladder)trans165.3-178.5179.200000112.7L304G228-L304 PolarHBondContact O-N 3.37Å
229I81.1Confident80.1Confident37 Ų3747.9 Ų47.919%0.1922%0.222CC..EExtended strand (participates in β ladder)trans-90.3119.4169.2-62.7164.6000106.7V213 D231 V232 F269 T271 V301 R302 L303V213-I229 HydrophobicContact CG1-CD1 4.32Å; I229-D231 WeakPolarHBondContact CG2-O 3.29Å; I229-V232 HydrophobicContact CG2-CG2 4.01Å; I229-F269 HydrophobicContact CD1-CB 4.42Å; I229-T271 HydrophobicContact CD1-CG2 3.52Å; I229-V301 HydrophobicContact CG1-CG1 4.33Å; I229-V301 HydrophobicContact CG2-CG1 3.9Å; I229-R302 CarbonylContact C-O 3.31Å; I229-R302 WeakPolarHBondContact CA-O 3.45Å; I229-L303 HydrophobicContact CB-CD2 4.46Å; I229-L303 HydrophobicContact CG1-CD2 3.67Å
230L83.8Confident80.8Confident77 Ų7746.9 Ų46.940%0.40322%0.216SC..EExtended strand (participates in β ladder)trans-65.3-51.3175.1178.359.6000110.2R302 L304 P311L230-R302 HydrophobicContact CB-CB 4.12Å; L230-R302 HydrophobicContact CD2-CB 4.38Å; L230-R302 PolarHBondContact N-O 3.45Å; L230-L304 HydrophobicContact CB-CD2 4.18Å; L230-L304 HydrophobicContact CB-CG 3.97Å; L230-L304 HydrophobicContact CD1-CD1 4.33Å; L230-L304 HydrophobicContact CD1-CD2 4.2Å; L230-L304 HydrophobicContact CD1-CG 4.41Å; L230-L304 HydrophobicContact CD2-CD2 4.36Å; L230-L304 HydrophobicContact CG-CD2 4.48Å; L230-P311 HydrophobicContact CD2-CB 3.92Å; L230-P311 HydrophobicContact CD2-CG 3.88Å
231D86.4Confident82Confident13 Ų1348.1 Ų48.17%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-157.5159.2-178.761.183.6000112.4I229 C233 Y247 R302I229-D231 WeakPolarHBondContact CG2-O 3.29Å; D231-C233 PolarHBondContact OD1-SG 3.46Å; D231-Y247 HydrophobicContact CB-CD2 3.66Å; D231-Y247 HydrophobicContact CB-CE2 3.31Å; D231-R302 PolarHBondContact O-N 2.98Å; D231-R302 IonicContact OD1-CZ 3.96Å; D231-R302 IonicContact OD1-NE 3.13Å; D231-R302 PolarHBondContact OD1-NE 3.33Å; D231-R302 IonicContact OD1-NH2 2.91Å; D231-R302 PolarHBondContact OD1-NH2 3.33Å; D231-R302 IonicContact OD2-CZ 3.21Å; D231-R302 IonicContact OD2-NE 2.69Å; D231-R302 PolarHBondContact OD2-NE 3.17Å; D231-R302 IonicContact OD2-NH2 2.83Å; D231-R302 PolarHBondContact OD2-NH2 3.22Å; D231-R302 VanDerWaalsContact OD2-NH2 3.17Å
232V89.4Confident83Confident3 Ų344.4 Ų44.42%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-117.6125164.6-176.90000107.2L211 V213 I229 L248 T271 V273 V299L211-V232 HydrophobicContact CD2-CG1 3.78Å; V213-V232 HydrophobicContact CB-CG2 4.45Å; V213-V232 HydrophobicContact CG2-CG1 3.93Å; V213-V232 HydrophobicContact CG2-CG2 3.88Å; I229-V232 HydrophobicContact CG2-CG2 4.01Å; V232-L248 WeakPolarHBondContact O-CB 3.39Å; V232-L248 PolarHBondContact O-N 3.05Å; V232-T271 HydrophobicContact CG2-CG2 4.32Å; V232-V273 HydrophobicContact CB-CG1 4.08Å; V232-V273 HydrophobicContact CB-CG2 4.13Å; V232-V273 HydrophobicContact CG1-CG2 3.99Å; V232-V273 HydrophobicContact CG2-CG1 4.25Å; V232-V299 HydrophobicContact CG1-CG1 4.29Å
233C89.8Confident83.6Confident3 Ų349.6 Ų49.62%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-118.7148.2179.6-78.90000110.5D231 L245 T246 V299 V300 R302D231-C233 PolarHBondContact OD1-SG 3.46Å; C233-L245 HydrophobicContact CB-CB 4.15Å; C233-L245 HydrophobicContact CB-CD1 4.39Å; C233-T246 CarbonylContact C-O 3.54Å; C233-T246 VanDerWaalsContact CA-O 3.3Å; C233-T246 WeakPolarHBondContact CA-O 3.46Å; C233-V299 WeakPolarHBondContact O-CA 3.15Å; C233-V300 HydrophobicContact CB-CB 4.22Å; C233-V300 PolarHBondContact N-O 2.93Å; C233-V300 PolarHBondContact O-N 3.28Å; C233-R302 PolarHBondContact SG-NH2 2.76Å
234L90.4Very high84.2Confident0 Ų050.1 Ų50.10%026%0.257CS..EExtended strand (participates in β ladder)trans-141.6132.1-177.1177.763.7000109.8T246 L248 W275 F282 F297 T298 V299L234-T246 PolarHBondContact N-O 2.9Å; L234-T246 WeakPolarHBondContact O-CB 3.31Å; L234-T246 PolarHBondContact O-N 2.81Å; L234-L248 HydrophobicContact CB-CD1 3.59Å; L234-L248 HydrophobicContact CB-CD2 4.19Å; L234-L248 HydrophobicContact CB-CG 3.92Å; L234-L248 HydrophobicContact CD2-CD1 3.84Å; L234-L248 HydrophobicContact CG-CD1 4.37Å; L234-W275 HydrophobicContact CD1-CH2 4.5Å; L234-W275 HydrophobicContact CD2-CD2 4.2Å; L234-W275 HydrophobicContact CD2-CE3 4.11Å; L234-W275 HydrophobicContact CD2-CH2 3.51Å; L234-W275 HydrophobicContact CD2-CZ2 3.58Å; L234-W275 HydrophobicContact CD2-CZ3 3.78Å; L234-F282 HydrophobicContact CB-CE1 4.3Å; L234-F282 HydrophobicContact CB-CZ 4.5Å; L234-F282 HydrophobicContact CD2-CD1 4.18Å; L234-F282 HydrophobicContact CD2-CE1 3.45Å; L234-F282 VanDerWaalsContact CD2-CE1 3.45Å; L234-F282 HydrophobicContact CD2-CZ 4.27Å; L234-F282 HydrophobicContact CG-CE1 3.73Å; L234-F282 HydrophobicContact CG-CZ 4.4Å; L234-F297 HydrophobicContact CD1-CB 4.13Å; L234-F297 HydrophobicContact CD1-CD2 3.43Å; L234-F297 VanDerWaalsContact CD1-CD2 3.43Å; L234-F297 HydrophobicContact CD1-CE2 4.2Å; L234-F297 HydrophobicContact CD1-CG 4.2Å; L234-T298 WeakPolarHBondContact CA-O 3.25Å; L234-V299 HydrophobicContact CD1-CG2 4Å
235G88.7Confident84.5Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-135.5150.3173.900000112F297 T298G235-F297 WeakPolarHBondContact O-CA 3.46Å; G235-F297 WeakPolarHBondContact O-CB 3.36Å; G235-T298 PolarHBondContact N-O 2.98Å; G235-T298 PolarHBondContact O-N 3.43Å
236Y88.6Confident85Confident85 Ų8551.1 Ų51.133%0.33326%0.262SS..EExtended strand (participates in β ladder)trans-79.7123.7175.5179.6-94.5000110.5M284 F285 I295Y236-M284 HydrophobicContact CD1-CG 4.42Å; Y236-M284 HydrophobicContact CD2-CB 3.57Å; Y236-M284 HydrophobicContact CD2-CG 4.22Å; Y236-M284 HydrophobicContact CE1-CB 4.45Å; Y236-M284 HydrophobicContact CE1-CE 3.98Å; Y236-M284 HydrophobicContact CE1-CG 4.29Å; Y236-M284 HydrophobicContact CE2-CB 3.34Å; Y236-M284 HydrophobicContact CE2-CG 4.07Å; Y236-M284 HydrophobicContact CG-CB 4.2Å; Y236-M284 HydrophobicContact CG-CG 4.39Å; Y236-M284 WeakPolarHBondContact OH-CE 3.34Å; Y236-F285 HydrophobicContact CD2-CD2 4.31Å; Y236-F285 AromaticContact CD2-CE2 3.83Å; Y236-F285 HydrophobicContact CD2-CE2 3.83Å; Y236-F285 HydrophobicContact CD2-CZ 4.19Å; Y236-F285 HydrophobicContact CG-CE2 4.46Å; Y236-I295 HydrophobicContact CE2-CB 3.84Å; Y236-I295 HydrophobicContact CE2-CG2 3.87Å
237G85.8Confident85.3Confident17 Ų1756.7 Ų56.718%0.17528%0.283CS..SBendtrans114.3-170.2-176.800000114.6F296 F297 T298G237-F296 WeakPolarHBondContact CA-O 3.4Å; G237-F296 PolarHBondContact N-O 3.36Å; G237-F297 CarbonylContact O-C 3.51Å; G237-F297 VanDerWaalsContact O-C 3.3Å; G237-F297 VanDerWaalsContact O-CA 3.31Å; G237-F297 WeakPolarHBondContact O-CA 3.47Å; G237-T298 PolarHBondContact O-N 3.1Å; G237-T298 PolarHBondContact O-OG1 2.87Å
238R88.7Confident85.3Confident125 Ų12553.3 Ų53.347%0.47227%0.265SS..SBendtrans-121.2150.5-179.7-59.9-163.8-108.5-166.5-179.6109.9L240 F296 I317R238-L240 VanDerWaalsContact C-N 3.26Å; R238-L240 PolarHBondContact O-N 3.42Å; R238-F296 VanDerWaalsContact CD-CD1 3.41Å; R238-F296 HydrophobicContact CG-CB 3.48Å; R238-F296 VanDerWaalsContact CG-CB 3.48Å; R238-F296 HydrophobicContact CG-CD1 3.83Å; R238-F296 HydrophobicContact CG-CG 3.76Å; R238-F296 VanDerWaalsContact NE-CD1 3.32Å; R238-F296 VanDerWaalsContact NH1-CZ 3.27Å; R238-I317 HydrophobicContact CB-CD1 4.16Å; R238-I317 HydrophobicContact CB-CG2 4.41Å; R238-I317 HydrophobicContact CG-CG2 3.7Å
239Y81.9Confident84.7Confident197 Ų19754.7 Ų54.777%0.77328%0.279SS*.SBendtrans5737.2174.5-47.3-68.3000113.9I317Y239-I317 HydrophobicContact CD1-CD1 3.81Å; Y239-I317 HydrophobicContact CE1-CD1 3.55Å; Y239-I317 HydrophobicContact CE2-CD1 4.43Å; Y239-I317 HydrophobicContact CG-CD1 4.35Å
240L84.9Confident83.2Confident20 Ų2055.1 Ų55.111%0.10529%0.292CS..  trans-70.6142.3-175.2-57.7179.1000112.4R238 E244 L245R238-L240 VanDerWaalsContact C-N 3.26Å; R238-L240 PolarHBondContact O-N 3.42Å; L240-E244 HydrophobicContact CB-CB 4.12Å; L240-E244 HydrophobicContact CD2-CB 4.38Å; L240-L245 HydrophobicContact CB-CD2 4.28Å; L240-L245 HydrophobicContact CD1-CD2 4.18Å
241S85.3Confident81.4Confident48 Ų4861.2 Ų61.234%0.33632%0.319SS..  trans-70.6160.4166.467.60000111.4S243 E244S241-S243 PolarHBondContact O-N 2.93Å; S241-S243 PolarHBondContact OG-OG 3.41Å; S241-E244 VanDerWaalsContact CB-OE2 3.3Å; S241-E244 WeakPolarHBondContact CB-OE2 3.4Å; S241-E244 PolarHBondContact N-OE2 3.3Å; S241-E244 WeakPolarHBondContact O-CB 3.46Å; S241-E244 PolarHBondContact O-N 2.78Å; S241-E244 WeakPolarHBondContact OG-CG 3.42Å; S241-E244 PolarHBondContact OG-OE2 3.26Å
242D83.6Confident79.4Confident95 Ų9568.9 Ų68.951%0.50835%0.354SS..THydrogen-bonded Turntrans-67.1-21.7-178.4-68.6-18.9000113.4E244 R315D242-E244 VanDerWaalsContact C-N 3.3Å; D242-E244 PolarHBondContact O-N 3.45Å; D242-R315 IonicContact OD1-CZ 3.55Å; D242-R315 IonicContact OD1-NH1 2.72Å; D242-R315 PolarHBondContact OD1-NH1 3.14Å; D242-R315 IonicContact OD1-NH2 3Å; D242-R315 PolarHBondContact OD1-NH2 2.99Å; D242-R315 IonicContact OD2-NH2 4Å; D242-R315 PolarHBondContact OD2-NH2 3.17Å
243S85.9Confident77.3Confident114 Ų11472.9 Ų72.980%0.79738%0.375SS*.THydrogen-bonded Turntrans-71.6-17.9170.237.10000114.6S241S241-S243 PolarHBondContact O-N 2.93Å; S241-S243 PolarHBondContact OG-OG 3.41Å
244E85.9Confident75.2Confident89 Ų8978.6 Ų78.642%0.41641%0.41SS..THydrogen-bonded Turntrans-93.5-12.8178.7-69.9165.8106.700112.5L240 S241 D242 Q281L240-E244 HydrophobicContact CB-CB 4.12Å; L240-E244 HydrophobicContact CD2-CB 4.38Å; S241-E244 VanDerWaalsContact CB-OE2 3.3Å; S241-E244 WeakPolarHBondContact CB-OE2 3.4Å; S241-E244 PolarHBondContact N-OE2 3.3Å; S241-E244 WeakPolarHBondContact O-CB 3.46Å; S241-E244 PolarHBondContact O-N 2.78Å; S241-E244 WeakPolarHBondContact OG-CG 3.42Å; S241-E244 PolarHBondContact OG-OE2 3.26Å; D242-E244 VanDerWaalsContact C-N 3.3Å; D242-E244 PolarHBondContact O-N 3.45Å; E244-Q281 PolarHBondContact O-NE2 3.03Å; E244-Q281 PolarHBondContact O-OE1 2.76Å
245L86.2Confident72.8Confident23 Ų2382.6 Ų82.612%0.1244%0.435CS..PPolyproline II helixtrans-82.9133.9-179.4-65.5175.2000111.8C233 L240 V300C233-L245 HydrophobicContact CB-CB 4.15Å; C233-L245 HydrophobicContact CB-CD1 4.39Å; L240-L245 HydrophobicContact CB-CD2 4.28Å; L240-L245 HydrophobicContact CD1-CD2 4.18Å; L245-V300 HydrophobicContact CD1-CB 4.01Å; L245-V300 HydrophobicContact CD1-CG2 3.51Å; L245-V300 HydrophobicContact CD2-CG2 4.06Å; L245-V300 HydrophobicContact CG-CG2 4.47Å
246T86.6Confident70.5Confident20 Ų2092.7 Ų92.712%0.12347%0.473CS..EExtended strand (participates in β ladder)trans-95.8129172.3-47.80000110.3C233 L234 H279 Q281 F282C233-T246 CarbonylContact C-O 3.54Å; C233-T246 VanDerWaalsContact CA-O 3.3Å; C233-T246 WeakPolarHBondContact CA-O 3.46Å; L234-T246 PolarHBondContact N-O 2.9Å; L234-T246 WeakPolarHBondContact O-CB 3.31Å; L234-T246 PolarHBondContact O-N 2.81Å; T246-H279 PolarHBondContact OG1-CE1 3.43Å; T246-Q281 PolarHBondContact OG1-OE1 2.84Å; T246-F282 HydrophobicContact CG2-CE2 3.92Å; T246-F282 HydrophobicContact CG2-CZ 4.15Å
247Y85Confident67.9Low125 Ų12590.9 Ų90.949%0.4948%0.48SS..EExtended strand (participates in β ladder)trans-72.8131.3173.4173.8-136000111.4D231 G249 G250D231-Y247 HydrophobicContact CB-CD2 3.66Å; D231-Y247 HydrophobicContact CB-CE2 3.31Å; Y247-G249 WeakPolarHBondContact CE2-O 2.8Å; Y247-G249 PolarHBondContact OH-O 3.37Å; Y247-G250 VanDerWaalsContact OH-CA 3.25Å; Y247-G250 WeakPolarHBondContact OH-CA 3.11Å; Y247-G250 PolarHBondContact OH-N 2.91Å
248L77.5Confident65.2Low16 Ų1698.8 Ų98.88%0.08451%0.512CS..  trans-103.32.1-171.3-63.2-165.1000116L211 V232 L234 V273 P276 F282L211-L248 HydrophobicContact CD2-CD1 4.13Å; V232-L248 WeakPolarHBondContact O-CB 3.39Å; V232-L248 PolarHBondContact O-N 3.05Å; L234-L248 HydrophobicContact CB-CD1 3.59Å; L234-L248 HydrophobicContact CB-CD2 4.19Å; L234-L248 HydrophobicContact CB-CG 3.92Å; L234-L248 HydrophobicContact CD2-CD1 3.84Å; L234-L248 HydrophobicContact CG-CD1 4.37Å; L248-V273 HydrophobicContact CB-CB 3.91Å; L248-V273 HydrophobicContact CB-CG1 4.38Å; L248-V273 HydrophobicContact CB-CG2 3.69Å; L248-V273 HydrophobicContact CD1-CG2 3.67Å; L248-V273 HydrophobicContact CG-CG2 4.36Å; L248-P276 HydrophobicContact CD2-CG 3.71Å; L248-F282 HydrophobicContact CD2-CE2 4.39Å; L248-F282 HydrophobicContact CD2-CZ 3.83Å
249G63.7Low62.4Low41 Ų4197 Ų9742%0.42352%0.524SS..  trans169.5123.6171.600000116.4Y247Y247-G249 WeakPolarHBondContact CE2-O 2.8Å; Y247-G249 PolarHBondContact OH-O 3.37Å
250G49.7Very low59.9Low46 Ų4692.7 Ų92.747%0.47452%0.523SS..  trans-114.8160.9156.300000110.9Y247 E252Y247-G250 VanDerWaalsContact OH-CA 3.25Å; Y247-G250 WeakPolarHBondContact OH-CA 3.11Å; Y247-G250 PolarHBondContact OH-N 2.91Å; G250-E252 PolarHBondContact O-N 3.48Å
251E46.7Very low57.1Low205 Ų20596.7 Ų96.796%0.95855%0.553SS**SBendtrans80.4-35.1163-54-164.7140.900121.6
252E43.9Very low54.4Low174 Ų174101.4 Ų101.481%0.81357%0.574SS**SBendtrans-124.5-9.1-167.4-73.6-161153.600121.7G250G250-E252 PolarHBondContact O-N 3.48Å
253N45.2Very low52Low87 Ų87101.9 Ų101.947%0.46559%0.585SS.*  trans-137.330.3-174-81.7-78.7000117.2T255 W272N253-T255 VanDerWaalsContact C-N 3.3Å; N253-T255 PolarHBondContact O-N 3.19Å; N253-W272 HydrophobicContact CB-CH2 3.78Å; N253-W272 HydrophobicContact CB-CZ2 3.95Å; N253-W272 HydrophobicContact CB-CZ3 4.36Å
254V44.6Very low49.6Very low123 Ų123104.5 Ų104.575%0.74559%0.589SS**  trans-75.884.9168.9-173.40000109.8R256V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 3.06Å
255T41.5Very low47.6Very low85 Ų85103.8 Ų103.852%0.52159%0.594SS.*  trans-65.394.9157.539.40000107.4N253 G257N253-T255 VanDerWaalsContact C-N 3.3Å; N253-T255 PolarHBondContact O-N 3.19Å; T255-G257 VanDerWaalsContact C-N 3.31Å; T255-G257 PolarHBondContact O-N 3.4Å
256R39.1Very low46Very low211 Ų211104 Ų10480%0.79660%0.602SS**  trans-60.499.6169-168.6-177.4-162.6-179.25.5106.1V254 E258V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 3.06Å; R256-E258 PolarHBondContact O-N 3.41Å
257G35.2Very low44.8Very low47 Ų47103.7 Ų103.749%0.48560%0.6SS.*  trans-56.6105.9174.800000107.8T255 A259T255-G257 VanDerWaalsContact C-N 3.31Å; T255-G257 PolarHBondContact O-N 3.4Å; G257-A259 PolarHBondContact O-N 3.33Å
258E28.7Very low43.9Very low183 Ų183100.8 Ų100.886%0.85560%0.598SS**  trans-50.7129.9165.1-67.7-174.7147.700106.3R256 S260R256-E258 PolarHBondContact O-N 3.41Å; E258-S260 PolarHBondContact O-N 3.02Å
259A29.4Very low43.8Very low88 Ų88102.7 Ų102.773%0.72761%0.606SS**  trans-52.3104.6-173.300000108.6G257 S261G257-A259 PolarHBondContact O-N 3.33Å; A259-S261 PolarHBondContact O-N 3.35Å
260S29.8Very low44.4Very low106 Ų106104.4 Ų104.474%0.74161%0.611SS**  trans-71.792.4-173.7480000107.4E258 N262E258-S260 PolarHBondContact O-N 3.02Å; S260-N262 PolarHBondContact O-N 2.78Å
261S26.5Very low45.9Very low104 Ų104103.2 Ų103.273%0.72759%0.594SS**  trans-51.496.517440.10000109.4A259A259-S261 PolarHBondContact O-N 3.35Å
262N27.5Very low47.7Very low148 Ų14895.1 Ų95.179%0.79156%0.555SS**SBendtrans-177.5128.1136.5-87-32.1000111S260S260-N262 PolarHBondContact O-N 2.78Å
263S33.2Very low49.8Very low104 Ų10487.7 Ų87.773%0.72752%0.522SS*.SBendtrans68.6117.6172.371.60000118.6
264L35.1Very low51.6Low170 Ų17087.2 Ų87.289%0.8952%0.522SS*.  trans64100.9175.2-65.686.4000117.4G266L264-G266 PolarHBondContact O-N 2.79Å
265S44.9Very low53.4Low73 Ų7382.1 Ų82.151%0.5149%0.489SS..  trans-71.1111.2175.856.50000113.1Y139 H140Y139-S265 WeakPolarHBondContact CD1-OG 3.48Å; H140-S265 PolarHBondContact CE1-O 3.42Å; H140-S265 PolarHBondContact NE2-O 2.94Å
266G51.4Low54.8Low28 Ų2879.5 Ų79.529%0.28947%0.474SS..SBendtrans-151.7171.316000000108.2L264 S268L264-G266 PolarHBondContact O-N 2.79Å; G266-S268 PolarHBondContact O-N 3.32Å; G266-S268 VanDerWaalsContact O-N 3.08Å
267T61.7Low56.2Low13 Ų1374.9 Ų74.98%0.0847%0.474CS..  trans-69112173.651.30000110.2Q217 Y223 L224 I226Q217-T267 PolarHBondContact N-O 2.83Å; Y223-T267 HydrophobicContact CE2-CG2 3.64Å; Y223-T267 WeakPolarHBondContact OH-CG2 3.35Å; L224-T267 PolarHBondContact O-OG1 3.47Å; L224-T267 VanDerWaalsContact O-OG1 3.08Å; I226-T267 HydrophobicContact CB-CG2 4.42Å; I226-T267 WeakPolarHBondContact CD1-OG1 3.44Å
268S67.3Low57.7Low65 Ų6579.7 Ų79.746%0.45549%0.489SS..EExtended strand (participates in β ladder)trans-109.1126169.559.30000110.3V215 G266V215-S268 CarbonylContact O-C 3.59Å; V215-S268 VanDerWaalsContact O-CA 3.28Å; V215-S268 WeakPolarHBondContact O-CA 3.43Å; G266-S268 PolarHBondContact O-N 3.32Å; G266-S268 VanDerWaalsContact O-N 3.08Å
269F74.4Confident59.7Low56 Ų5674.6 Ų74.625%0.24647%0.465CS..EExtended strand (participates in β ladder)trans-123.3140.3172.3-78.2-95.5000109.7G214 V215 I226 I229G214-F269 CarbonylContact C-O 3.56Å; G214-F269 VanDerWaalsContact CA-O 3.26Å; G214-F269 WeakPolarHBondContact CA-O 3.33Å; V215-F269 PolarHBondContact N-O 2.87Å; V215-F269 PolarHBondContact O-N 3.09Å; I226-F269 HydrophobicContact CB-CD2 3.92Å; I226-F269 HydrophobicContact CB-CE2 3.73Å; I226-F269 HydrophobicContact CG2-CD2 3.59Å; I226-F269 HydrophobicContact CG2-CE2 3.67Å; I226-F269 HydrophobicContact CG2-CG 4.29Å; I226-F269 HydrophobicContact CG2-CZ 4.4Å; I226-F269 WeakPolarHBondContact O-CE2 3.37Å; I226-F269 WeakPolarHBondContact O-CZ 3.4Å; I229-F269 HydrophobicContact CD1-CB 4.42Å
270S76.8Confident61.7Low77 Ų7776.8 Ų76.854%0.53846%0.464SS..EExtended strand (participates in β ladder)trans-135.9138.916960.60000110.5V213V213-S270 CarbonylContact O-C 3.54Å; V213-S270 VanDerWaalsContact O-CA 3.26Å; V213-S270 WeakPolarHBondContact O-CA 3.17Å
271T81.3Confident63.6Low20 Ų2074.7 Ų74.712%0.12344%0.443CS..EExtended strand (participates in β ladder)trans-143.9174.7174.3-163.90000109.9V213 I229 V232V213-T271 HydrophobicContact CB-CG2 4.32Å; V213-T271 PolarHBondContact N-O 3.22Å; V213-T271 PolarHBondContact O-N 2.91Å; V213-T271 VanDerWaalsContact O-O 3.12Å; I229-T271 HydrophobicContact CD1-CG2 3.52Å; V232-T271 HydrophobicContact CG2-CG2 4.32Å
272W85Confident66Low36 Ų3670.1 Ų70.114%0.13641%0.41CS..EExtended strand (participates in β ladder)trans-141152.7169.358.5-89.4000110.2R210 L211 F212 N253R210-W272 HydrophobicContact CG-CE3 3.98Å; R210-W272 HydrophobicContact CG-CZ3 4.32Å; L211-W272 CarbonylContact O-C 3.52Å; L211-W272 VanDerWaalsContact O-CA 3.23Å; L211-W272 WeakPolarHBondContact O-CA 3.37Å; F212-W272 HydrophobicContact CD1-CB 3.71Å; F212-W272 HydrophobicContact CD1-CG 4.35Å; F212-W272 HydrophobicContact CD2-CB 4.05Å; F212-W272 HydrophobicContact CE1-CB 3.76Å; F212-W272 AromaticContact CE1-CD1 3.85Å; F212-W272 AromaticContact CE1-CG 3.93Å; F212-W272 HydrophobicContact CE1-CG 3.93Å; F212-W272 HydrophobicContact CE2-CB 4.1Å; F212-W272 HydrophobicContact CG-CB 3.86Å; F212-W272 HydrophobicContact CZ-CB 3.96Å; F212-W272 HydrophobicContact CZ-CG 4.04Å; N253-W272 HydrophobicContact CB-CH2 3.78Å; N253-W272 HydrophobicContact CB-CZ2 3.95Å; N253-W272 HydrophobicContact CB-CZ3 4.36Å
273V86.4Confident68.4Low17 Ų1765.9 Ų65.910%0.10339%0.392CS..EExtended strand (participates in β ladder)trans-126.8142174.7-66.10000110.2R210 L211 V232 L248R210-V273 WeakPolarHBondContact CA-O 3.28Å; L211-V273 HydrophobicContact CB-CG2 3.9Å; L211-V273 HydrophobicContact CD2-CG2 4.23Å; L211-V273 HydrophobicContact CG-CG2 4.38Å; L211-V273 PolarHBondContact N-O 2.69Å; L211-V273 PolarHBondContact O-N 2.78Å; V232-V273 HydrophobicContact CB-CG1 4.08Å; V232-V273 HydrophobicContact CB-CG2 4.13Å; V232-V273 HydrophobicContact CG1-CG2 3.99Å; V232-V273 HydrophobicContact CG2-CG1 4.25Å; L248-V273 HydrophobicContact CB-CB 3.91Å; L248-V273 HydrophobicContact CB-CG1 4.38Å; L248-V273 HydrophobicContact CB-CG2 3.69Å; L248-V273 HydrophobicContact CD1-CG2 3.67Å; L248-V273 HydrophobicContact CG-CG2 4.36Å
274T83.9Confident70.5Confident78 Ų7864.6 Ų64.648%0.47938%0.375SS..EExtended strand (participates in β ladder)trans-69.6136.1175.2-58.50000109.4P276T274-P276 VanDerWaalsContact O-CD 3.3Å; T274-P276 WeakPolarHBondContact O-CD 3.35Å
275W81.5Confident72.6Confident15 Ų1556.6 Ų56.66%0.05733%0.333CS..  trans-78115.4174.9-163.3-66.9000109.8I180 M203 K209 L211 L234 S277 F282 F285I180-W275 HydrophobicContact CD1-CH2 4.13Å; I180-W275 HydrophobicContact CD1-CZ3 3.65Å; I180-W275 HydrophobicContact CG1-CZ3 4.14Å; M203-W275 HydrophobicContact CE-CH2 3.89Å; M203-W275 HydrophobicContact CE-CZ2 4.14Å; M203-W275 HydrophobicContact CE-CZ3 4.17Å; K209-W275 HydrophobicContact CB-CB 3.58Å; K209-W275 HydrophobicContact CB-CD2 4.24Å; K209-W275 HydrophobicContact CB-CE3 4.36Å; K209-W275 HydrophobicContact CB-CG 3.94Å; K209-W275 HydrophobicContact CD-CD2 4.37Å; K209-W275 HydrophobicContact CD-CG 4.4Å; K209-W275 WeakPolarHBondContact O-CB 3.49Å; K209-W275 PolarHBondContact O-N 3.22Å; L211-W275 HydrophobicContact CB-CE3 4.49Å; L234-W275 HydrophobicContact CD1-CH2 4.5Å; L234-W275 HydrophobicContact CD2-CD2 4.2Å; L234-W275 HydrophobicContact CD2-CE3 4.11Å; L234-W275 HydrophobicContact CD2-CH2 3.51Å; L234-W275 HydrophobicContact CD2-CZ2 3.58Å; L234-W275 HydrophobicContact CD2-CZ3 3.78Å; W275-S277 PolarHBondContact O-N 2.82Å; W275-S277 VanDerWaalsContact O-N 3.13Å; W275-F282 HydrophobicContact CZ2-CD1 4.23Å; W275-F282 AromaticContact NE1-CD1 3.5Å; W275-F282 AromaticContact NE1-CG 3.9Å; W275-F285 AromaticContact CH2-CD1 3.8Å; W275-F285 HydrophobicContact CH2-CD1 3.8Å; W275-F285 AromaticContact CH2-CE1 3.68Å; W275-F285 HydrophobicContact CH2-CE1 3.68Å; W275-F285 HydrophobicContact CH2-CZ 4.32Å; W275-F285 HydrophobicContact CZ2-CB 4.21Å; W275-F285 AromaticContact CZ2-CD1 3.33Å; W275-F285 HydrophobicContact CZ2-CD1 3.33Å; W275-F285 HydrophobicContact CZ2-CD2 4.11Å; W275-F285 AromaticContact CZ2-CE1 3.47Å; W275-F285 HydrophobicContact CZ2-CE1 3.47Å; W275-F285 VanDerWaalsContact CZ2-CE1 3.47Å; W275-F285 HydrophobicContact CZ2-CE2 4.21Å; W275-F285 AromaticContact CZ2-CG 3.64Å; W275-F285 HydrophobicContact CZ2-CG 3.64Å; W275-F285 AromaticContact CZ2-CZ 3.9Å; W275-F285 HydrophobicContact CZ2-CZ 3.9Å
276P72Confident74.4Confident31 Ų3155 Ų5520%0.20132%0.319CS..  trans-75.8106.8-175.229.5-34.2000110.6L248 T274 N278 F282L248-P276 HydrophobicContact CD2-CG 3.71Å; T274-P276 VanDerWaalsContact O-CD 3.3Å; T274-P276 WeakPolarHBondContact O-CD 3.35Å; P276-N278 PolarHBondContact O-N 3.28Å; P276-F282 HydrophobicContact CG-CD2 3.72Å; P276-F282 HydrophobicContact CG-CE2 3.45Å; P276-F282 VanDerWaalsContact CG-CE2 3.45Å; P276-F282 HydrophobicContact CG-CG 4.48Å; P276-F282 HydrophobicContact CG-CZ 4.05Å; P276-F282 WeakPolarHBondContact O-CD2 3.36Å
277S67.5Low75.9Confident114 Ų11457.5 Ų57.580%0.79733%0.329SS*.THydrogen-bonded Turntrans-74.7-8.8179.8440000114.4W275W275-S277 PolarHBondContact O-N 2.82Å; W275-S277 VanDerWaalsContact O-N 3.13Å
278N66.8Low76.8Confident148 Ų14860.7 Ų60.779%0.79134%0.344SS*.THydrogen-bonded Turntrans-101.4-6.7-175.463.6-14000114.8P276P276-N278 PolarHBondContact O-N 3.28Å
279H71.6Confident77Confident75 Ų7558.8 Ų58.835%0.34734%0.335SS..SBendtrans-98.1134.5-174.9173.1-85.2000111.9T246 Q281 F282T246-H279 PolarHBondContact OG1-CE1 3.43Å; H279-Q281 VanDerWaalsContact C-N 3.35Å; H279-Q281 PolarHBondContact O-N 2.89Å; H279-Q281 VanDerWaalsContact O-N 3.17Å; H279-F282 HydrophobicContact CB-CD2 3.69Å; H279-F282 HydrophobicContact CB-CE2 3.95Å; H279-F282 AromaticContact CG-CD2 3.93Å; H279-F282 AromaticContact CG-CE2 3.85Å; H279-F282 AromaticContact ND1-CD2 3.46Å; H279-F282 WeakPolarHBondContact ND1-CD2 3.31Å; H279-F282 AromaticContact ND1-CE2 3.24Å; H279-F282 WeakPolarHBondContact ND1-CE2 3.47Å; H279-F282 WeakPolarHBondContact O-CB 3.46Å; H279-F282 PolarHBondContact O-N 3.14Å
280N70.7Confident76.8Confident134 Ų13460 Ų6072%0.71735%0.347SS*.G310 helixtrans-56.9-40.1-162-169.619.1000114.1F282 S283N280-F282 PolarHBondContact O-N 2.79Å; N280-F282 VanDerWaalsContact O-N 3.13Å; N280-S283 WeakPolarHBondContact O-CB 2.95Å; N280-S283 PolarHBondContact O-N 3.26Å; N280-S283 VanDerWaalsContact O-N 3.15Å; N280-S283 PolarHBondContact O-OG 3.07Å
281Q70.5Confident76.3Confident62 Ų6264.4 Ų64.429%0.2935%0.352SS..G310 helixtrans-59.2-25.6176.7-66.9-169.610.500113.4E244 T246 H279E244-Q281 PolarHBondContact O-NE2 3.03Å; E244-Q281 PolarHBondContact O-OE1 2.76Å; T246-Q281 PolarHBondContact OG1-OE1 2.84Å; H279-Q281 VanDerWaalsContact C-N 3.35Å; H279-Q281 PolarHBondContact O-N 2.89Å; H279-Q281 VanDerWaalsContact O-N 3.17Å
282F77.5Confident75.6Confident8 Ų870.6 Ų70.64%0.03538%0.384CS..G310 helixtrans-84.4-12.2-178.2-57.8-67.8000114L234 T246 L248 W275 P276 H279 N280 M284 F285L234-F282 HydrophobicContact CB-CE1 4.3Å; L234-F282 HydrophobicContact CB-CZ 4.5Å; L234-F282 HydrophobicContact CD2-CD1 4.18Å; L234-F282 HydrophobicContact CD2-CE1 3.45Å; L234-F282 VanDerWaalsContact CD2-CE1 3.45Å; L234-F282 HydrophobicContact CD2-CZ 4.27Å; L234-F282 HydrophobicContact CG-CE1 3.73Å; L234-F282 HydrophobicContact CG-CZ 4.4Å; T246-F282 HydrophobicContact CG2-CE2 3.92Å; T246-F282 HydrophobicContact CG2-CZ 4.15Å; L248-F282 HydrophobicContact CD2-CE2 4.39Å; L248-F282 HydrophobicContact CD2-CZ 3.83Å; W275-F282 HydrophobicContact CZ2-CD1 4.23Å; W275-F282 AromaticContact NE1-CD1 3.5Å; W275-F282 AromaticContact NE1-CG 3.9Å; P276-F282 HydrophobicContact CG-CD2 3.72Å; P276-F282 HydrophobicContact CG-CE2 3.45Å; P276-F282 VanDerWaalsContact CG-CE2 3.45Å; P276-F282 HydrophobicContact CG-CG 4.48Å; P276-F282 HydrophobicContact CG-CZ 4.05Å; P276-F282 WeakPolarHBondContact O-CD2 3.36Å; H279-F282 HydrophobicContact CB-CD2 3.69Å; H279-F282 HydrophobicContact CB-CE2 3.95Å; H279-F282 AromaticContact CG-CD2 3.93Å; H279-F282 AromaticContact CG-CE2 3.85Å; H279-F282 AromaticContact ND1-CD2 3.46Å; H279-F282 WeakPolarHBondContact ND1-CD2 3.31Å; H279-F282 AromaticContact ND1-CE2 3.24Å; H279-F282 WeakPolarHBondContact ND1-CE2 3.47Å; H279-F282 WeakPolarHBondContact O-CB 3.46Å; H279-F282 PolarHBondContact O-N 3.14Å; N280-F282 PolarHBondContact O-N 2.79Å; N280-F282 VanDerWaalsContact O-N 3.13Å; F282-M284 PolarHBondContact O-N 2.84Å; F282-F285 HydrophobicContact CB-CD2 4.44Å; F282-F285 HydrophobicContact CD1-CD2 4.05Å; F282-F285 AromaticContact CD1-CE2 3.85Å; F282-F285 HydrophobicContact CD1-CE2 3.85Å; F282-F285 HydrophobicContact CE1-CE2 4.4Å; F282-F285 WeakPolarHBondContact O-CB 3.44Å; F282-F285 PolarHBondContact O-N 3.07Å
283S76.8Confident75.1Confident59 Ų5974 Ų7441%0.41340%0.402SS..G310 helixtrans-55.3-33.7174.263.80000112.2N280 F285 D286 V287N280-S283 WeakPolarHBondContact O-CB 2.95Å; N280-S283 PolarHBondContact O-N 3.26Å; N280-S283 VanDerWaalsContact O-N 3.15Å; N280-S283 PolarHBondContact O-OG 3.07Å; S283-F285 PolarHBondContact O-N 3.12Å; S283-D286 PolarHBondContact O-N 2.95Å; S283-V287 PolarHBondContact O-N 2.85Å
284M76.9Confident75.1Confident77 Ų7775.3 Ų75.338%0.37941%0.411SS..G310 helixtrans-65.4-19.7177-57.3-63.1-82.700113.7Y236 F282 D286Y236-M284 HydrophobicContact CD1-CG 4.42Å; Y236-M284 HydrophobicContact CD2-CB 3.57Å; Y236-M284 HydrophobicContact CD2-CG 4.22Å; Y236-M284 HydrophobicContact CE1-CB 4.45Å; Y236-M284 HydrophobicContact CE1-CE 3.98Å; Y236-M284 HydrophobicContact CE1-CG 4.29Å; Y236-M284 HydrophobicContact CE2-CB 3.34Å; Y236-M284 HydrophobicContact CE2-CG 4.07Å; Y236-M284 HydrophobicContact CG-CB 4.2Å; Y236-M284 HydrophobicContact CG-CG 4.39Å; Y236-M284 WeakPolarHBondContact OH-CE 3.34Å; F282-M284 PolarHBondContact O-N 2.84Å; M284-D286 VanDerWaalsContact C-N 3.3Å
285F79.4Confident75.3Confident2 Ų272.7 Ų72.71%0.00939%0.394CS..G310 helixtrans-87.2-0174-59.8-105.6000113M203 Y236 W275 F282 S283 I295 F297 V322M203-F285 HydrophobicContact CE-CD1 4.44Å; Y236-F285 HydrophobicContact CD2-CD2 4.31Å; Y236-F285 AromaticContact CD2-CE2 3.83Å; Y236-F285 HydrophobicContact CD2-CE2 3.83Å; Y236-F285 HydrophobicContact CD2-CZ 4.19Å; Y236-F285 HydrophobicContact CG-CE2 4.46Å; W275-F285 AromaticContact CH2-CD1 3.8Å; W275-F285 HydrophobicContact CH2-CD1 3.8Å; W275-F285 AromaticContact CH2-CE1 3.68Å; W275-F285 HydrophobicContact CH2-CE1 3.68Å; W275-F285 HydrophobicContact CH2-CZ 4.32Å; W275-F285 HydrophobicContact CZ2-CB 4.21Å; W275-F285 AromaticContact CZ2-CD1 3.33Å; W275-F285 HydrophobicContact CZ2-CD1 3.33Å; W275-F285 HydrophobicContact CZ2-CD2 4.11Å; W275-F285 AromaticContact CZ2-CE1 3.47Å; W275-F285 HydrophobicContact CZ2-CE1 3.47Å; W275-F285 VanDerWaalsContact CZ2-CE1 3.47Å; W275-F285 HydrophobicContact CZ2-CE2 4.21Å; W275-F285 AromaticContact CZ2-CG 3.64Å; W275-F285 HydrophobicContact CZ2-CG 3.64Å; W275-F285 AromaticContact CZ2-CZ 3.9Å; W275-F285 HydrophobicContact CZ2-CZ 3.9Å; F282-F285 HydrophobicContact CB-CD2 4.44Å; F282-F285 HydrophobicContact CD1-CD2 4.05Å; F282-F285 AromaticContact CD1-CE2 3.85Å; F282-F285 HydrophobicContact CD1-CE2 3.85Å; F282-F285 HydrophobicContact CE1-CE2 4.4Å; F282-F285 WeakPolarHBondContact O-CB 3.44Å; F282-F285 PolarHBondContact O-N 3.07Å; S283-F285 PolarHBondContact O-N 3.12Å; F285-I295 HydrophobicContact CB-CD1 4.1Å; F285-I295 HydrophobicContact CD1-CD1 3.33Å; F285-I295 HydrophobicContact CD1-CG1 4.49Å; F285-I295 HydrophobicContact CE1-CD1 3.93Å; F285-I295 HydrophobicContact CG-CD1 3.71Å; F285-F297 HydrophobicContact CE1-CB 3.59Å; F285-F297 AromaticContact CE1-CD1 3.77Å; F285-F297 HydrophobicContact CE1-CD1 3.77Å; F285-F297 HydrophobicContact CE1-CD2 4.41Å; F285-F297 AromaticContact CE1-CG 3.7Å; F285-F297 HydrophobicContact CE1-CG 3.7Å; F285-F297 HydrophobicContact CZ-CB 3.5Å; F285-F297 VanDerWaalsContact CZ-CB 3.5Å; F285-F297 HydrophobicContact CZ-CG 4.1Å; F285-V322 WeakPolarHBondContact O-CG1 3.47Å; F285-V322 WeakPolarHBondContact O-CG2 3.5Å
286D82.9Confident75.7Confident40 Ų4074 Ų7421%0.21440%0.4CS..G310 helixtrans-115.511.7170.6-92.84.8000111.9K205 S206 K209 S283 M284K205-D286 WeakPolarHBondContact CA-OD1 3.25Å; K205-D286 WeakPolarHBondContact CD-O 3.3Å; K205-D286 VanDerWaalsContact CE-O 3.28Å; K205-D286 WeakPolarHBondContact CE-O 3.42Å; K205-D286 HydrophobicContact CG-CB 4.13Å; K205-D286 PolarHBondContact NZ-O 3.09Å; S206-D286 VanDerWaalsContact CA-OD2 3.31Å; S206-D286 WeakPolarHBondContact CA-OD2 3.34Å; S206-D286 VanDerWaalsContact N-CG 3.25Å; S206-D286 PolarHBondContact N-OD1 2.92Å; S206-D286 PolarHBondContact N-OD2 3.45Å; S206-D286 PolarHBondContact OG-OD2 2.81Å; K209-D286 IonicContact NZ-OD1 3.06Å; S283-D286 PolarHBondContact O-N 2.95Å; M284-D286 VanDerWaalsContact C-N 3.3Å
287V82.9Confident76.5Confident81 Ų8172.6 Ų72.649%0.49139%0.391SS..SBendtrans-90.6114.5169.1178.50000108.7S283 G289 V322S283-V287 PolarHBondContact O-N 2.85Å; V287-G289 PolarHBondContact O-N 3.4Å; V287-V322 VanDerWaalsContact O-CB 3.28Å; V287-V322 WeakPolarHBondContact O-CB 3.49Å
288I81.4Confident77.7Confident80 Ų8067.3 Ų67.341%0.4135%0.354SS..PPolyproline II helixtrans-65.1122.9178.4-62.6161.7000108.7K205 V322 K324K205-I288 HydrophobicContact CB-CG1 4.34Å; K205-I288 HydrophobicContact CD-CD1 4.06Å; K205-I288 HydrophobicContact CD-CG1 4.1Å; I288-V322 WeakPolarHBondContact CA-O 3.48Å; I288-K324 HydrophobicContact CD1-CG 3.95Å
289G71.2Confident78.9Confident25 Ų2560.3 Ų60.326%0.25832%0.316SS..PPolyproline II helixtrans-82.4154.2175.600000112V287 V322V287-G289 PolarHBondContact O-N 3.4Å; G289-V322 PolarHBondContact N-O 3.29Å
290T70.7Confident79.9Confident81 Ų8156.8 Ų56.850%0.49730%0.3SS..PPolyproline II helixtrans-66.3172.4161.862.30000110.9D292 E293T290-D292 PolarHBondContact O-N 2.85Å; T290-E293 VanDerWaalsContact CB-OE2 3.31Å; T290-E293 WeakPolarHBondContact CB-OE2 3.33Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.43Å; T290-E293 PolarHBondContact N-OE2 3.44Å; T290-E293 PolarHBondContact O-N 3.27Å; T290-E293 VanDerWaalsContact OG1-CG 3.27Å; T290-E293 WeakPolarHBondContact OG1-CG 3.41Å; T290-E293 PolarHBondContact OG1-OE2 3.29Å
291R65.2Low80.9Confident169 Ų16950.4 Ų50.464%0.63827%0.266SS*.SBendtrans-56.5-33.7-175.7-90.8-174.6165.5-177.8-5.9114R321 D408R291-R321 PolarHBondContact O-NE 3.39Å; R291-R321 VanDerWaalsContact O-NE 3.14Å; R291-R321 PolarHBondContact O-NH2 2.8Å; R291-D408 IonicContact CZ-OD1 3.16Å; R291-D408 IonicContact CZ-OD2 2.74Å; R291-D408 VanDerWaalsContact CZ-OD2 3.31Å; R291-D408 IonicContact NH1-OD1 2.85Å; R291-D408 PolarHBondContact NH1-OD1 3.36Å; R291-D408 IonicContact NH1-OD2 2.81Å; R291-D408 PolarHBondContact NH1-OD2 3.48Å; R291-D408 IonicContact NH2-OD1 2.73Å; R291-D408 PolarHBondContact NH2-OD1 2.89Å; R291-D408 IonicContact NH2-OD2 3.92Å; R291-D408 PolarHBondContact NH2-OD2 3.37Å
292D66.4Low81.8Confident151 Ų15151 Ų5181%0.80727%0.266SS*.SBendtrans-96.9-15.2-176-55.6-50.6000112.9T290T290-D292 PolarHBondContact O-N 2.85Å
293E75.7Confident82.4Confident107 Ų10750.7 Ų50.750%0.526%0.264SS..  trans-77139.2177.9-74.9167.2148.400111.6T290 R321T290-E293 VanDerWaalsContact CB-OE2 3.31Å; T290-E293 WeakPolarHBondContact CB-OE2 3.33Å; T290-E293 WeakPolarHBondContact CG2-OE2 3.43Å; T290-E293 PolarHBondContact N-OE2 3.44Å; T290-E293 PolarHBondContact O-N 3.27Å; T290-E293 VanDerWaalsContact OG1-CG 3.27Å; T290-E293 WeakPolarHBondContact OG1-CG 3.41Å; T290-E293 PolarHBondContact OG1-OE2 3.29Å; E293-R321 WeakPolarHBondContact O-CG 3.4Å; E293-R321 PolarHBondContact O-NE 3.17Å
294C84.9Confident82.8Confident44 Ų4451.2 Ų51.230%0.29726%0.262SS..  trans-137.9145.3165.560.20000109.1L200 A320L200-C294 HydrophobicContact CD1-CB 3.64Å; C294-A320 CarbonylContact C-O 3.6Å; C294-A320 WeakPolarHBondContact CA-O 3.4Å; C294-A320 WeakPolarHBondContact CB-O 3.28Å
295I87.9Confident83.1Confident24 Ų2447.9 Ų47.912%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-88.5146.2171.460.5175.1000109.4Y236 F285 R319 A320 V322Y236-I295 HydrophobicContact CE2-CB 3.84Å; Y236-I295 HydrophobicContact CE2-CG2 3.87Å; F285-I295 HydrophobicContact CB-CD1 4.1Å; F285-I295 HydrophobicContact CD1-CD1 3.33Å; F285-I295 HydrophobicContact CD1-CG1 4.49Å; F285-I295 HydrophobicContact CE1-CD1 3.93Å; F285-I295 HydrophobicContact CG-CD1 3.71Å; I295-R319 CarbonylContact O-C 3.57Å; I295-R319 WeakPolarHBondContact O-CA 3.43Å; I295-A320 HydrophobicContact CD1-CB 4.2Å; I295-A320 HydrophobicContact CG1-CB 3.83Å; I295-A320 WeakPolarHBondContact CG1-O 3.49Å; I295-A320 PolarHBondContact N-O 3Å; I295-A320 PolarHBondContact O-N 2.89Å; I295-V322 HydrophobicContact CD1-CG2 3.87Å
296F89.8Confident83Confident43 Ų4351.8 Ų51.819%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-105.3145.3172.5-68.6-91.1000109.5G237 R238 I317 C318 R319G237-F296 WeakPolarHBondContact CA-O 3.4Å; G237-F296 PolarHBondContact N-O 3.36Å; R238-F296 VanDerWaalsContact CD-CD1 3.41Å; R238-F296 HydrophobicContact CG-CB 3.48Å; R238-F296 VanDerWaalsContact CG-CB 3.48Å; R238-F296 HydrophobicContact CG-CD1 3.83Å; R238-F296 HydrophobicContact CG-CG 3.76Å; R238-F296 VanDerWaalsContact NE-CD1 3.32Å; R238-F296 VanDerWaalsContact NH1-CZ 3.27Å; F296-I317 HydrophobicContact CD1-CG2 4.31Å; F296-C318 WeakPolarHBondContact CA-O 3.28Å; F296-R319 HydrophobicContact CD1-CG 3.81Å; F296-R319 HydrophobicContact CE1-CG 3.45Å; F296-R319 VanDerWaalsContact CE1-CG 3.45Å; F296-R319 HydrophobicContact CZ-CG 4.2Å
297F90.4Very high82.6Confident0 Ų056.6 Ų56.60%028%0.279CS..EExtended strand (participates in β ladder)trans-145.4149.6174.963.2-84.3000110.6I180 F201 L234 G235 G237 F285 V299 C318 A320I180-F297 HydrophobicContact CD1-CE2 4.11Å; I180-F297 HydrophobicContact CD1-CZ 3.61Å; F201-F297 HydrophobicContact CD2-CE1 4.29Å; F201-F297 AromaticContact CD2-CZ 3.87Å; F201-F297 HydrophobicContact CD2-CZ 3.87Å; F201-F297 HydrophobicContact CE2-CZ 4.09Å; L234-F297 HydrophobicContact CD1-CB 4.13Å; L234-F297 HydrophobicContact CD1-CD2 3.43Å; L234-F297 VanDerWaalsContact CD1-CD2 3.43Å; L234-F297 HydrophobicContact CD1-CE2 4.2Å; L234-F297 HydrophobicContact CD1-CG 4.2Å; G235-F297 WeakPolarHBondContact O-CA 3.46Å; G235-F297 WeakPolarHBondContact O-CB 3.36Å; G237-F297 CarbonylContact O-C 3.51Å; G237-F297 VanDerWaalsContact O-C 3.3Å; G237-F297 VanDerWaalsContact O-CA 3.31Å; G237-F297 WeakPolarHBondContact O-CA 3.47Å; F285-F297 HydrophobicContact CE1-CB 3.59Å; F285-F297 AromaticContact CE1-CD1 3.77Å; F285-F297 HydrophobicContact CE1-CD1 3.77Å; F285-F297 HydrophobicContact CE1-CD2 4.41Å; F285-F297 AromaticContact CE1-CG 3.7Å; F285-F297 HydrophobicContact CE1-CG 3.7Å; F285-F297 HydrophobicContact CZ-CB 3.5Å; F285-F297 VanDerWaalsContact CZ-CB 3.5Å; F285-F297 HydrophobicContact CZ-CG 4.1Å; F297-V299 HydrophobicContact CD2-CG2 3.88Å; F297-V299 HydrophobicContact CE2-CG2 3.77Å; F297-C318 HydrophobicContact CD1-CB 3.93Å; F297-C318 HydrophobicContact CD2-CB 3.76Å; F297-C318 HydrophobicContact CE1-CB 3.47Å; F297-C318 VanDerWaalsContact CE1-CB 3.47Å; F297-C318 HydrophobicContact CE2-CB 3.33Å; F297-C318 HydrophobicContact CG-CB 4.08Å; F297-C318 HydrophobicContact CZ-CB 3.17Å; F297-C318 PolarHBondContact N-O 2.89Å; F297-C318 PolarHBondContact O-N 3.01Å; F297-A320 HydrophobicContact CD1-CB 4.26Å; F297-A320 HydrophobicContact CE1-CB 3.72Å
298T91.3Very high82.5Confident4 Ų454.2 Ų54.23%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-110.5120.8179.3-55.60000108.7L234 G235 G237 V300 R316L234-T298 WeakPolarHBondContact CA-O 3.25Å; G235-T298 PolarHBondContact N-O 2.98Å; G235-T298 PolarHBondContact O-N 3.43Å; G237-T298 PolarHBondContact O-N 3.1Å; G237-T298 PolarHBondContact O-OG1 2.87Å; T298-V300 HydrophobicContact CG2-CG2 4.06Å; T298-R316 WeakPolarHBondContact CA-O 3.32Å
299V92Very high82.3Confident0 Ų059.6 Ų59.60%029%0.286CS..EExtended strand (participates in β ladder)trans-95.8129.3169.8-1770000108L178 L211 V232 C233 L234 F297 V301 R315 R316L178-V299 HydrophobicContact CD1-CB 4.04Å; L178-V299 HydrophobicContact CD1-CG1 4.18Å; L178-V299 HydrophobicContact CD1-CG2 4.28Å; L178-V299 HydrophobicContact CD2-CG1 3.91Å; L211-V299 HydrophobicContact CD2-CG1 4Å; L211-V299 HydrophobicContact CD2-CG2 4.24Å; V232-V299 HydrophobicContact CG1-CG1 4.29Å; C233-V299 WeakPolarHBondContact O-CA 3.15Å; L234-V299 HydrophobicContact CD1-CG2 4Å; F297-V299 HydrophobicContact CD2-CG2 3.88Å; F297-V299 HydrophobicContact CE2-CG2 3.77Å; V299-V301 HydrophobicContact CG1-CG2 4.14Å; V299-R315 WeakPolarHBondContact O-CA 3.09Å; V299-R316 PolarHBondContact N-O 3.38Å; V299-R316 PolarHBondContact O-N 2.78Å
300V92.7Very high82.9Confident1 Ų165.4 Ų65.41%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-120.3128.6173.5-178.50000109.1C233 L245 T298 R302 A313 L314 R315C233-V300 HydrophobicContact CB-CB 4.22Å; C233-V300 PolarHBondContact N-O 2.93Å; C233-V300 PolarHBondContact O-N 3.28Å; L245-V300 HydrophobicContact CD1-CB 4.01Å; L245-V300 HydrophobicContact CD1-CG2 3.51Å; L245-V300 HydrophobicContact CD2-CG2 4.06Å; L245-V300 HydrophobicContact CG-CG2 4.47Å; T298-V300 HydrophobicContact CG2-CG2 4.06Å; V300-R302 HydrophobicContact CG1-CG 4.5Å; V300-A313 HydrophobicContact CG1-CB 4.11Å; V300-L314 CarbonylContact C-O 3.53Å; V300-L314 WeakPolarHBondContact CA-O 3.18Å; V300-R315 HydrophobicContact CB-CG 4.44Å; V300-R315 HydrophobicContact CG1-CG 4.07Å; V300-R315 HydrophobicContact CG2-CB 4.26Å; V300-R315 HydrophobicContact CG2-CG 3.77Å
301V91.6Very high83.7Confident0 Ų063.5 Ų63.50%030%0.296CS..EExtended strand (participates in β ladder)trans-118.6113.9179.6-176.80000107.5L176 V213 I229 V299 L303 A313 L314L176-V301 HydrophobicContact CD1-CB 4.49Å; L176-V301 HydrophobicContact CD1-CG2 4Å; V213-V301 HydrophobicContact CG1-CB 4.35Å; V213-V301 HydrophobicContact CG1-CG1 3.81Å; V213-V301 HydrophobicContact CG1-CG2 3.58Å; V213-V301 HydrophobicContact CG2-CG2 4.36Å; I229-V301 HydrophobicContact CG1-CG1 4.33Å; I229-V301 HydrophobicContact CG2-CG1 3.9Å; V299-V301 HydrophobicContact CG1-CG2 4.14Å; V301-L303 HydrophobicContact CG1-CD2 3.97Å; V301-A313 WeakPolarHBondContact O-CA 3.47Å; V301-L314 PolarHBondContact N-O 3.45Å; V301-L314 PolarHBondContact O-N 3.29Å
302R90.8Very high84.9Confident76 Ų7655.9 Ų55.929%0.28727%0.268SS..EExtended strand (participates in β ladder)trans-95.3125.7177.5-81.5180-76.9-174.45109.9I229 L230 D231 C233 V300 P311 L312 A313I229-R302 CarbonylContact C-O 3.31Å; I229-R302 WeakPolarHBondContact CA-O 3.45Å; L230-R302 HydrophobicContact CB-CB 4.12Å; L230-R302 HydrophobicContact CD2-CB 4.38Å; L230-R302 PolarHBondContact N-O 3.45Å; D231-R302 PolarHBondContact O-N 2.98Å; D231-R302 IonicContact OD1-CZ 3.96Å; D231-R302 IonicContact OD1-NE 3.13Å; D231-R302 PolarHBondContact OD1-NE 3.33Å; D231-R302 IonicContact OD1-NH2 2.91Å; D231-R302 PolarHBondContact OD1-NH2 3.33Å; D231-R302 IonicContact OD2-CZ 3.21Å; D231-R302 IonicContact OD2-NE 2.69Å; D231-R302 PolarHBondContact OD2-NE 3.17Å; D231-R302 IonicContact OD2-NH2 2.83Å; D231-R302 PolarHBondContact OD2-NH2 3.22Å; D231-R302 VanDerWaalsContact OD2-NH2 3.17Å; C233-R302 PolarHBondContact SG-NH2 2.76Å; V300-R302 HydrophobicContact CG1-CG 4.5Å; R302-P311 HydrophobicContact CB-CB 4.31Å; R302-L312 CarbonylContact C-O 3.52Å; R302-L312 WeakPolarHBondContact CA-O 3.41Å; R302-A313 HydrophobicContact CG-CB 3.89Å
303L89Confident86Confident0 Ų050.1 Ų50.10%024%0.241CC..EExtended strand (participates in β ladder)trans-108.5129.1-175.9-57.6176000110.2L174 V215 I226 I229 V301 P311 L312 L314L174-L303 HydrophobicContact CD1-CD1 3.89Å; V215-L303 HydrophobicContact CG1-CD1 4Å; V215-L303 HydrophobicContact CG2-CD1 4.35Å; V215-L303 HydrophobicContact CG2-CD2 4.12Å; I226-L303 HydrophobicContact CD1-CD1 4.36Å; I229-L303 HydrophobicContact CB-CD2 4.46Å; I229-L303 HydrophobicContact CG1-CD2 3.67Å; V301-L303 HydrophobicContact CG1-CD2 3.97Å; L303-P311 CarbonylContact O-C 3.49Å; L303-P311 WeakPolarHBondContact O-CA 3.47Å; L303-L312 HydrophobicContact CB-CB 4.3Å; L303-L312 HydrophobicContact CD1-CD2 4.24Å; L303-L312 PolarHBondContact N-O 2.86Å; L303-L312 PolarHBondContact O-N 2.8Å; L303-L314 HydrophobicContact CD1-CD1 3.84Å; L303-L314 HydrophobicContact CD1-CG 4.13Å
304L86.4Confident86.9Confident71 Ų7145 Ų4537%0.37222%0.218SC..EExtended strand (participates in β ladder)trans-80.1122.5167.3-66175.6000108.4I226 N227 G228 L230I226-L304 CarbonylContact C-O 3.57Å; I226-L304 WeakPolarHBondContact CA-O 3.35Å; N227-L304 HydrophobicContact CB-CB 3.98Å; N227-L304 PolarHBondContact N-O 3.29Å; G228-L304 PolarHBondContact O-N 3.37Å; L230-L304 HydrophobicContact CB-CD2 4.18Å; L230-L304 HydrophobicContact CB-CG 3.97Å; L230-L304 HydrophobicContact CD1-CD1 4.33Å; L230-L304 HydrophobicContact CD1-CD2 4.2Å; L230-L304 HydrophobicContact CD1-CG 4.41Å; L230-L304 HydrophobicContact CD2-CD2 4.36Å; L230-L304 HydrophobicContact CG-CD2 4.48Å
305I83.5Confident87.2Confident7 Ų747.5 Ų47.54%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-113.5134175.8-65.3160.2000108L224 P225 R307 L308 L312 I364L224-I305 HydrophobicContact CD1-CD1 4.02Å; L224-I305 HydrophobicContact CD1-CG1 4.36Å; L224-I305 HydrophobicContact CD1-CG2 3.7Å; L224-I305 HydrophobicContact CD2-CD1 4.04Å; L224-I305 HydrophobicContact CG-CD1 4.17Å; L224-I305 HydrophobicContact CG-CG1 4.3Å; L224-I305 HydrophobicContact CG-CG2 4.25Å; P225-I305 CarbonylContact O-C 3.53Å; P225-I305 WeakPolarHBondContact O-CA 3.3Å; I305-R307 PolarHBondContact O-N 3.35Å; I305-L308 HydrophobicContact CB-CB 4.04Å; I305-L308 HydrophobicContact CB-CD2 4.24Å; I305-L308 HydrophobicContact CD1-CD2 3.98Å; I305-L308 HydrophobicContact CG2-CB 4.21Å; I305-L308 PolarHBondContact O-N 3.15Å; I305-L312 HydrophobicContact CD1-CB 3.53Å; I305-L312 HydrophobicContact CD1-CD2 3.74Å; I305-L312 HydrophobicContact CD1-CG 4.29Å; I305-I364 HydrophobicContact CD1-CD1 4.1Å
306H76.5Confident87.4Confident84 Ų8446.9 Ų46.939%0.38922%0.217SC..THydrogen-bonded Turntrans-58.5132.5-179.7-172.287.3000111.3P225 L308P225-H306 HydrophobicContact CB-CB 3.74Å; P225-H306 HydrophobicContact CG-CB 3.65Å; P225-H306 PolarHBondContact O-N 2.83Å; H306-L308 PolarHBondContact O-N 3.32Å
307R73.7Confident87.5Confident141 Ų14146.7 Ų46.753%0.53222%0.217SC..THydrogen-bonded Turntrans63.84-176.1-64.9170-169.5-164.90.6116.8I305I305-R307 PolarHBondContact O-N 3.35Å
308L82Confident87.5Confident30 Ų3046.9 Ų46.916%0.15722%0.218CC..  trans-90.6127.7169.3-16468.9000109.5I305 H306 E310 I361 I364I305-L308 HydrophobicContact CB-CB 4.04Å; I305-L308 HydrophobicContact CB-CD2 4.24Å; I305-L308 HydrophobicContact CD1-CD2 3.98Å; I305-L308 HydrophobicContact CG2-CB 4.21Å; I305-L308 PolarHBondContact O-N 3.15Å; H306-L308 PolarHBondContact O-N 3.32Å; L308-E310 VanDerWaalsContact CD2-O 3.23Å; L308-E310 WeakPolarHBondContact CD2-O 3.49Å; L308-E310 WeakPolarHBondContact CG-O 3.43Å; L308-I361 HydrophobicContact CD1-CG2 4.44Å; L308-I364 HydrophobicContact CD2-CD1 3.58Å; L308-I364 HydrophobicContact CD2-CG1 3.96Å
309E76.6Confident87.5Confident193 Ų19350.1 Ų50.190%0.90223%0.23SC*.SBendtrans-68.2-38.8-178.3-65.7-177.6153.800112.6
310E83.3Confident87.4Confident148 Ų14850.1 Ų50.169%0.69223%0.23SC*.SBendtrans-103.5139.3-178.2-69.3-68.117000111.4L308L308-E310 VanDerWaalsContact CD2-O 3.23Å; L308-E310 WeakPolarHBondContact CD2-O 3.49Å; L308-E310 WeakPolarHBondContact CG-O 3.43Å
311P87.9Confident87.2Confident41 Ų4151.3 Ų51.327%0.26623%0.234SC..  trans-70.9140.1177.629.8-34.4000111.9L230 R302 L303 A313L230-P311 HydrophobicContact CD2-CB 3.92Å; L230-P311 HydrophobicContact CD2-CG 3.88Å; R302-P311 HydrophobicContact CB-CB 4.31Å; L303-P311 CarbonylContact O-C 3.49Å; L303-P311 WeakPolarHBondContact O-CA 3.47Å; P311-A313 PolarHBondContact O-N 3.3Å
312L90.2Very high87.1Confident8 Ų851.5 Ų51.54%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-77113.6175.4167.260.8000110.5L174 R302 L303 I305 L314 I344 I364 V367L174-L312 HydrophobicContact CD1-CD2 4.06Å; R302-L312 CarbonylContact C-O 3.52Å; R302-L312 WeakPolarHBondContact CA-O 3.41Å; L303-L312 HydrophobicContact CB-CB 4.3Å; L303-L312 HydrophobicContact CD1-CD2 4.24Å; L303-L312 PolarHBondContact N-O 2.86Å; L303-L312 PolarHBondContact O-N 2.8Å; I305-L312 HydrophobicContact CD1-CB 3.53Å; I305-L312 HydrophobicContact CD1-CD2 3.74Å; I305-L312 HydrophobicContact CD1-CG 4.29Å; L312-L314 HydrophobicContact CD1-CD2 4.11Å; L312-L314 HydrophobicContact CD2-CD2 4.14Å; L312-L314 HydrophobicContact CG-CD2 4.04Å; L312-I344 HydrophobicContact CD2-CD1 3.49Å; L312-I344 VanDerWaalsContact CD2-CD1 3.49Å; L312-I344 HydrophobicContact CD2-CG1 4.26Å; L312-I364 HydrophobicContact CB-CD1 3.98Å; L312-I364 HydrophobicContact CD1-CD1 3.9Å; L312-I364 HydrophobicContact CD2-CD1 4.09Å; L312-I364 HydrophobicContact CG-CD1 4.21Å; L312-V367 HydrophobicContact CD1-CG1 4.32Å; L312-V367 HydrophobicContact CD1-CG2 3.5Å; L312-V367 VanDerWaalsContact CD1-CG2 3.5Å
313A91.1Very high87Confident31 Ų3149.8 Ų49.826%0.25623%0.229SC..EExtended strand (participates in β ladder)trans-88.1119.2172.500000112V300 V301 R302 P311V300-A313 HydrophobicContact CG1-CB 4.11Å; V301-A313 WeakPolarHBondContact O-CA 3.47Å; R302-A313 HydrophobicContact CG-CB 3.89Å; P311-A313 PolarHBondContact O-N 3.3Å
314L92.8Very high86.9Confident0 Ų055.3 Ų55.30%025%0.253CS..EExtended strand (participates in β ladder)trans-96.6131.6165.3-54.3-175.2000108.9L174 L176 V215 V300 V301 L303 L312 Y342 V367L174-L314 HydrophobicContact CD1-CD1 4.42Å; L176-L314 HydrophobicContact CB-CD1 4.39Å; L176-L314 HydrophobicContact CD2-CB 4.31Å; V215-L314 HydrophobicContact CG1-CD1 4.46Å; V215-L314 HydrophobicContact CG2-CD1 4.32Å; V300-L314 CarbonylContact C-O 3.53Å; V300-L314 WeakPolarHBondContact CA-O 3.18Å; V301-L314 PolarHBondContact N-O 3.45Å; V301-L314 PolarHBondContact O-N 3.29Å; L303-L314 HydrophobicContact CD1-CD1 3.84Å; L303-L314 HydrophobicContact CD1-CG 4.13Å; L312-L314 HydrophobicContact CD1-CD2 4.11Å; L312-L314 HydrophobicContact CD2-CD2 4.14Å; L312-L314 HydrophobicContact CG-CD2 4.04Å; L314-Y342 HydrophobicContact CB-CE1 4.19Å; L314-Y342 HydrophobicContact CB-CE2 4.22Å; L314-Y342 HydrophobicContact CD1-CD2 4.23Å; L314-Y342 HydrophobicContact CD1-CE2 4.49Å; L314-Y342 HydrophobicContact CD2-CD1 3.86Å; L314-Y342 HydrophobicContact CD2-CD2 4.29Å; L314-Y342 HydrophobicContact CD2-CE1 4.27Å; L314-Y342 HydrophobicContact CD2-CG 3.84Å; L314-V367 HydrophobicContact CD2-CG1 4.06Å
315R92Very high86.8Confident95 Ų9555 Ų5536%0.35826%0.261SS..EExtended strand (participates in β ladder)trans-126106.3-173.7-55.8-164.1-175.3-121.7-8.7111.9D242 V299 V300 Y342D242-R315 IonicContact OD1-CZ 3.55Å; D242-R315 IonicContact OD1-NH1 2.72Å; D242-R315 PolarHBondContact OD1-NH1 3.14Å; D242-R315 IonicContact OD1-NH2 3Å; D242-R315 PolarHBondContact OD1-NH2 2.99Å; D242-R315 IonicContact OD2-NH2 4Å; D242-R315 PolarHBondContact OD2-NH2 3.17Å; V299-R315 WeakPolarHBondContact O-CA 3.09Å; V300-R315 HydrophobicContact CB-CG 4.44Å; V300-R315 HydrophobicContact CG1-CG 4.07Å; V300-R315 HydrophobicContact CG2-CB 4.26Å; V300-R315 HydrophobicContact CG2-CG 3.77Å; R315-Y342 PolarHBondContact N-OH 2.97Å; R315-Y342 PolarHBondContact O-OH 2.95Å
316R91.7Very high86.7Confident12 Ų1260.5 Ų60.55%0.04529%0.291CS..EExtended strand (participates in β ladder)trans-99.8130.2173.3-179.372177.6148.31.7110.4L176 L178 E199 T298 V299 C318 E340 Y342 H371L176-R316 HydrophobicContact CD2-CB 4.14Å; L178-R316 HydrophobicContact CD1-CB 3.54Å; L178-R316 HydrophobicContact CD1-CG 3.77Å; E199-R316 IonicContact OE1-CZ 3.93Å; E199-R316 IonicContact OE1-NH2 3.2Å; E199-R316 PolarHBondContact OE1-NH2 3.17Å; E199-R316 IonicContact OE2-NH2 2.87Å; T298-R316 WeakPolarHBondContact CA-O 3.32Å; V299-R316 PolarHBondContact N-O 3.38Å; V299-R316 PolarHBondContact O-N 2.78Å; R316-C318 WeakPolarHBondContact CG-SG 3.41Å; R316-E340 VanDerWaalsContact CD-OE1 3.25Å; R316-E340 WeakPolarHBondContact CD-OE1 3.33Å; R316-E340 WeakPolarHBondContact CD-OE2 3.45Å; R316-E340 IonicContact CZ-OE1 3.41Å; R316-E340 IonicContact NE-OE1 3.06Å; R316-E340 IonicContact NH1-OE1 3.48Å; R316-E340 PolarHBondContact NH1-OE1 3.27Å; R316-Y342 PolarHBondContact N-OH 3.37Å; R316-H371 PolarHBondContact NH1-CE1 3Å; R316-H371 PolarHBondContact NH1-ND1 3.2Å
317I91.5Very high87Confident39 Ų3959.5 Ų59.520%0.229%0.286CS..EExtended strand (participates in β ladder)trans-88.8122.1163.9-63.9169.9000108.2R238 Y239 F296R238-I317 HydrophobicContact CB-CD1 4.16Å; R238-I317 HydrophobicContact CB-CG2 4.41Å; R238-I317 HydrophobicContact CG-CG2 3.7Å; Y239-I317 HydrophobicContact CD1-CD1 3.81Å; Y239-I317 HydrophobicContact CE1-CD1 3.55Å; Y239-I317 HydrophobicContact CE2-CD1 4.43Å; Y239-I317 HydrophobicContact CG-CD1 4.35Å; F296-I317 HydrophobicContact CD1-CG2 4.31Å
318C90.8Very high86.9Confident3 Ų357.2 Ų57.22%0.0228%0.284CS..EExtended strand (participates in β ladder)trans-112.9162.1179.5-69.20000111.1F201 F296 F297 R316F201-C318 HydrophobicContact CD2-CB 4.41Å; F201-C318 HydrophobicContact CE2-CB 4.06Å; F296-C318 WeakPolarHBondContact CA-O 3.28Å; F297-C318 HydrophobicContact CD1-CB 3.93Å; F297-C318 HydrophobicContact CD2-CB 3.76Å; F297-C318 HydrophobicContact CE1-CB 3.47Å; F297-C318 VanDerWaalsContact CE1-CB 3.47Å; F297-C318 HydrophobicContact CE2-CB 3.33Å; F297-C318 HydrophobicContact CG-CB 4.08Å; F297-C318 HydrophobicContact CZ-CB 3.17Å; F297-C318 PolarHBondContact N-O 2.89Å; F297-C318 PolarHBondContact O-N 3.01Å; R316-C318 WeakPolarHBondContact CG-SG 3.41Å
319R91Very high86.5Confident73 Ų7356.7 Ų56.728%0.27528%0.28SS..EExtended strand (participates in β ladder)trans-118.1138.9175.4-60.5-176-94.1-169.9-9.4109.4E199 L200 F201 I295 F296 E373E199-R319 IonicContact OE2-CZ 3.59Å; E199-R319 IonicContact OE2-NE 2.71Å; E199-R319 IonicContact OE2-NH2 3.72Å; E199-R319 PolarHBondContact OE2-NH2 3.15Å; L200-R319 WeakPolarHBondContact CA-O 3.33Å; L200-R319 HydrophobicContact CB-CB 4.3Å; L200-R319 HydrophobicContact CD1-CB 3.53Å; F201-R319 WeakPolarHBondContact CD2-O 3.45Å; F201-R319 PolarHBondContact N-O 3.03Å; I295-R319 CarbonylContact O-C 3.57Å; I295-R319 WeakPolarHBondContact O-CA 3.43Å; F296-R319 HydrophobicContact CD1-CG 3.81Å; F296-R319 HydrophobicContact CE1-CG 3.45Å; F296-R319 VanDerWaalsContact CE1-CG 3.45Å; F296-R319 HydrophobicContact CZ-CG 4.2Å; R319-E373 IonicContact NH2-OE2 3.88Å
320A90.3Very high85.4Confident0 Ų053.6 Ų53.60%026%0.26CS..EExtended strand (participates in β ladder)trans-131.8154.416700000112.1L200 F201 M203 C294 I295 F297L200-A320 VanDerWaalsContact CD1-C 3.44Å; F201-A320 HydrophobicContact CB-CB 4.2Å; F201-A320 CarbonylContact O-C 3.55Å; F201-A320 WeakPolarHBondContact O-CA 3.42Å; M203-A320 HydrophobicContact SD-CB 3.55Å; M203-A320 VanDerWaalsContact SD-CB 3.55Å; C294-A320 CarbonylContact C-O 3.6Å; C294-A320 WeakPolarHBondContact CA-O 3.4Å; C294-A320 WeakPolarHBondContact CB-O 3.28Å; I295-A320 HydrophobicContact CD1-CB 4.2Å; I295-A320 HydrophobicContact CG1-CB 3.83Å; I295-A320 WeakPolarHBondContact CG1-O 3.49Å; I295-A320 PolarHBondContact N-O 3Å; I295-A320 PolarHBondContact O-N 2.89Å; F297-A320 HydrophobicContact CD1-CB 4.26Å; F297-A320 HydrophobicContact CE1-CB 3.72Å
321R89.1Confident83.9Confident25 Ų2548.1 Ų48.19%0.09424%0.236CC..EExtended strand (participates in β ladder)trans-123.7130.4162.8-170.7-180-62.1123.7-7.4108.6E196 L200 F201 M203 R291 E293 Y323E196-R321 IonicContact OE2-CZ 3.05Å; E196-R321 IonicContact OE2-NH1 3.83Å; E196-R321 PolarHBondContact OE2-NH1 3.29Å; L200-R321 HydrophobicContact CD1-CB 4.34Å; F201-R321 PolarHBondContact O-N 2.9Å; M203-R321 PolarHBondContact N-O 2.67Å; R291-R321 PolarHBondContact O-NE 3.39Å; R291-R321 VanDerWaalsContact O-NE 3.14Å; R291-R321 PolarHBondContact O-NH2 2.8Å; E293-R321 WeakPolarHBondContact O-CG 3.4Å; E293-R321 PolarHBondContact O-NE 3.17Å; R321-Y323 HydrophobicContact CB-CE2 3.94Å; R321-Y323 WeakPolarHBondContact CD-OH 3.25Å; R321-Y323 HydrophobicContact CG-CE2 3.9Å; R321-Y323 PolarHBondContact NH1-OH 2.78Å; R321-Y323 WeakPolarHBondContact O-CD2 3.5Å
322V89.1Confident82.2Confident4 Ų451.2 Ų51.22%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-97.4125.8-176.6-175.20000108.9M203 K205 F285 V287 I288 G289 I295M203-V322 CarbonylContact O-C 3.5Å; M203-V322 WeakPolarHBondContact O-CA 3.26Å; K205-V322 HydrophobicContact CB-CG1 4.07Å; F285-V322 WeakPolarHBondContact O-CG1 3.47Å; F285-V322 WeakPolarHBondContact O-CG2 3.5Å; V287-V322 VanDerWaalsContact O-CB 3.28Å; V287-V322 WeakPolarHBondContact O-CB 3.49Å; I288-V322 WeakPolarHBondContact CA-O 3.48Å; G289-V322 PolarHBondContact N-O 3.29Å; I295-V322 HydrophobicContact CD1-CG2 3.87Å
323Y88.4Confident80.7Confident40 Ų4052.9 Ų52.916%0.15727%0.267CS..EExtended strand (participates in β ladder)trans-108.4174.7-179.6-71.5-93.6000111K202 M203 K205 R321 E327 F329K202-Y323 HydrophobicContact CB-CD2 4.22Å; K202-Y323 HydrophobicContact CB-CE2 3.89Å; K202-Y323 HydrophobicContact CD-CE2 4.31Å; K202-Y323 WeakPolarHBondContact CE-OH 3.2Å; K202-Y323 HydrophobicContact CG-CE2 4.03Å; K202-Y323 PolarHBondContact NZ-OH 3.07Å; M203-Y323 PolarHBondContact O-N 3.46Å; K205-Y323 VanDerWaalsContact CB-O 3.28Å; K205-Y323 WeakPolarHBondContact CB-O 3.25Å; K205-Y323 PolarHBondContact N-O 2.89Å; R321-Y323 HydrophobicContact CB-CE2 3.94Å; R321-Y323 WeakPolarHBondContact CD-OH 3.25Å; R321-Y323 HydrophobicContact CG-CE2 3.9Å; R321-Y323 PolarHBondContact NH1-OH 2.78Å; R321-Y323 WeakPolarHBondContact O-CD2 3.5Å; Y323-E327 VanDerWaalsContact CD1-CD 3.4Å; Y323-E327 HydrophobicContact CD1-CG 3.72Å; Y323-E327 WeakPolarHBondContact CD1-OE1 3.44Å; Y323-E327 HydrophobicContact CG-CB 4.47Å; Y323-E327 HydrophobicContact CG-CG 3.85Å; Y323-F329 HydrophobicContact CD1-CE1 4.43Å; Y323-F329 AromaticContact CD2-CE1 3.83Å; Y323-F329 HydrophobicContact CD2-CE1 3.83Å; Y323-F329 HydrophobicContact CD2-CZ 4.01Å; Y323-F329 HydrophobicContact CE2-CE1 4.21Å; Y323-F329 AromaticContact CG-CE1 3.96Å; Y323-F329 HydrophobicContact CG-CE1 3.96Å; Y323-F329 HydrophobicContact CG-CZ 4.25Å
324K87.3Confident79.5Confident116 Ų11653.6 Ų53.650%0.50427%0.266SS..  trans-64.9159.5174-58.9174.8178175.20111.2I288 D326 E327I288-K324 HydrophobicContact CD1-CG 3.95Å; K324-D326 WeakPolarHBondContact CB-OD1 3.36Å; K324-D326 PolarHBondContact O-N 3.49Å; K324-E327 VanDerWaalsContact O-CB 3.28Å; K324-E327 WeakPolarHBondContact O-CB 3.42Å; K324-E327 PolarHBondContact O-N 2.68Å
325A84.7Confident78.8Confident64 Ų6458.6 Ų58.653%0.52929%0.285SS..THydrogen-bonded Turntrans-64.1-28.3179.300000112.8R204R204-A325 WeakPolarHBondContact CD-O 3.3Å
326D81.4Confident78.4Confident123 Ų12361 Ų6166%0.65830%0.298SS*.THydrogen-bonded Turntrans-91.27.4177.860.4-43.4000113.9K324 I328K324-D326 WeakPolarHBondContact CB-OD1 3.36Å; K324-D326 PolarHBondContact O-N 3.49Å; D326-I328 PolarHBondContact O-N 3.31Å
327E81.5Confident78.1Confident64 Ų6463.1 Ų63.130%0.29931%0.313SS..  trans-65123-179-172.778.9-168.400111.9R204 Y323 K324 F329R204-E327 PolarHBondContact NE-O 3.4Å; Y323-E327 VanDerWaalsContact CD1-CD 3.4Å; Y323-E327 HydrophobicContact CD1-CG 3.72Å; Y323-E327 WeakPolarHBondContact CD1-OE1 3.44Å; Y323-E327 HydrophobicContact CG-CB 4.47Å; Y323-E327 HydrophobicContact CG-CG 3.85Å; K324-E327 VanDerWaalsContact O-CB 3.28Å; K324-E327 WeakPolarHBondContact O-CB 3.42Å; K324-E327 PolarHBondContact O-N 2.68Å; E327-F329 HydrophobicContact CB-CE1 4.41Å; E327-F329 HydrophobicContact CB-CZ 4.49Å; E327-F329 HydrophobicContact CG-CD1 3.93Å; E327-F329 HydrophobicContact CG-CE1 3.49Å; E327-F329 VanDerWaalsContact CG-CE1 3.49Å; E327-F329 HydrophobicContact CG-CZ 4.04Å
328I72.3Confident78Confident93 Ų9361.6 Ų61.648%0.47731%0.306SS..  trans-100110.4176.6-54.5173.9000109.1D326 W330D326-I328 PolarHBondContact O-N 3.31Å; I328-W330 VanDerWaalsContact C-N 3.32Å; I328-W330 HydrophobicContact CB-CD2 4.29Å; I328-W330 HydrophobicContact CB-CZ2 3.95Å; I328-W330 HydrophobicContact CD1-CH2 4.02Å; I328-W330 HydrophobicContact CD1-CZ2 3.6Å; I328-W330 HydrophobicContact CG1-CZ2 4.37Å; I328-W330 HydrophobicContact CG2-CD2 3.56Å; I328-W330 VanDerWaalsContact CG2-CE2 3.43Å; I328-W330 HydrophobicContact CG2-CE3 3.88Å; I328-W330 HydrophobicContact CG2-CG 4.08Å; I328-W330 HydrophobicContact CG2-CH2 3.99Å; I328-W330 HydrophobicContact CG2-CZ2 3.68Å; I328-W330 HydrophobicContact CG2-CZ3 4.07Å; I328-W330 PolarHBondContact O-N 2.97Å
329F74Confident77.9Confident19 Ų1965.6 Ų65.68%0.08333%0.326CS..  trans-80.479.3174.4-55.3-55.5000110.6P194 K202 R204 Y323 E327 L331P194-F329 HydrophobicContact CG-CB 3.67Å; P194-F329 HydrophobicContact CG-CD1 4.14Å; P194-F329 HydrophobicContact CG-CD2 3.32Å; P194-F329 HydrophobicContact CG-CE2 3.92Å; P194-F329 HydrophobicContact CG-CG 3.44Å; P194-F329 VanDerWaalsContact CG-CG 3.44Å; K202-F329 HydrophobicContact CB-CE1 3.86Å; K202-F329 HydrophobicContact CB-CZ 3.86Å; K202-F329 HydrophobicContact CD-CE1 4.44Å; K202-F329 WeakPolarHBondContact O-CE2 3.42Å; K202-F329 WeakPolarHBondContact O-CZ 3.34Å; R204-F329 HydrophobicContact CG-CE2 3.92Å; R204-F329 HydrophobicContact CG-CZ 4.11Å; Y323-F329 HydrophobicContact CD1-CE1 4.43Å; Y323-F329 AromaticContact CD2-CE1 3.83Å; Y323-F329 HydrophobicContact CD2-CE1 3.83Å; Y323-F329 HydrophobicContact CD2-CZ 4.01Å; Y323-F329 HydrophobicContact CE2-CE1 4.21Å; Y323-F329 AromaticContact CG-CE1 3.96Å; Y323-F329 HydrophobicContact CG-CE1 3.96Å; Y323-F329 HydrophobicContact CG-CZ 4.25Å; E327-F329 HydrophobicContact CB-CE1 4.41Å; E327-F329 HydrophobicContact CB-CZ 4.49Å; E327-F329 HydrophobicContact CG-CD1 3.93Å; E327-F329 HydrophobicContact CG-CE1 3.49Å; E327-F329 VanDerWaalsContact CG-CE1 3.49Å; E327-F329 HydrophobicContact CG-CZ 4.04Å; F329-L331 PolarHBondContact O-N 3.11Å
330W53.6Low77.9Confident128 Ų12862.4 Ų62.449%0.48531%0.314SS..  trans-60.4-25.6-175.3-62.1103.7000115.5I328 T419I328-W330 VanDerWaalsContact C-N 3.32Å; I328-W330 HydrophobicContact CB-CD2 4.29Å; I328-W330 HydrophobicContact CB-CZ2 3.95Å; I328-W330 HydrophobicContact CD1-CH2 4.02Å; I328-W330 HydrophobicContact CD1-CZ2 3.6Å; I328-W330 HydrophobicContact CG1-CZ2 4.37Å; I328-W330 HydrophobicContact CG2-CD2 3.56Å; I328-W330 VanDerWaalsContact CG2-CE2 3.43Å; I328-W330 HydrophobicContact CG2-CE3 3.88Å; I328-W330 HydrophobicContact CG2-CG 4.08Å; I328-W330 HydrophobicContact CG2-CH2 3.99Å; I328-W330 HydrophobicContact CG2-CZ2 3.68Å; I328-W330 HydrophobicContact CG2-CZ3 4.07Å; I328-W330 PolarHBondContact O-N 2.97Å; W330-T419 HydrophobicContact CZ3-CG2 4.09Å; W330-T419 WeakPolarHBondContact CZ3-OG1 3.01Å
331L50.5Low77.9Confident33 Ų3364.3 Ų64.317%0.17333%0.325CS..SBendtrans-89.9147.8-173.9-68.5169.2000112.1F329 L333 A476 L477F329-L331 PolarHBondContact O-N 3.11Å; L331-L333 HydrophobicContact CB-CD1 4.43Å; L331-L333 HydrophobicContact CB-CG 3.97Å; L331-L333 PolarHBondContact O-N 2.97Å; L331-A476 HydrophobicContact CD1-CB 4.29Å; L331-A476 HydrophobicContact CD2-CB 4.45Å; L331-L477 HydrophobicContact CD2-CD2 3.4Å; L331-L477 VanDerWaalsContact CD2-CD2 3.4Å; L331-L477 HydrophobicContact CD2-CG 3.72Å
332S52.9Low78Confident106 Ų10663.4 Ų63.474%0.74132%0.321SS*.  trans-69.652.9164.9-66.80000112.6
333L58.4Low78Confident43 Ų4365 Ų6523%0.22533%0.331CS..  trans-59.9153.7168.8-73.7167000110.4P194 K202 L331 R335P194-L333 HydrophobicContact CB-CB 3.59Å; P194-L333 HydrophobicContact CB-CD1 4.06Å; P194-L333 HydrophobicContact CB-CG 4.49Å; K202-L333 HydrophobicContact CD-CD1 3.65Å; L331-L333 HydrophobicContact CB-CD1 4.43Å; L331-L333 HydrophobicContact CB-CG 3.97Å; L331-L333 PolarHBondContact O-N 2.97Å; L333-R335 PolarHBondContact O-N 2.91Å
334D66.5Low78Confident46 Ų4663 Ų6325%0.24632%0.323CS..BIsolated β-bridgetrans-61.5122.4-173.2-167.81.2000111.2P194 K195 S198 K336P194-D334 CarbonylContact C-O 3.56Å; K195-D334 VanDerWaalsContact CB-O 3.29Å; K195-D334 WeakPolarHBondContact CB-O 3.48Å; K195-D334 WeakPolarHBondContact CG-O 3.36Å; K195-D334 PolarHBondContact N-O 3.48Å; S198-D334 WeakPolarHBondContact CB-OD2 3.49Å; S198-D334 PolarHBondContact OG-OD2 2.77Å; D334-K336 VanDerWaalsContact OD1-CB 3.26Å; D334-K336 WeakPolarHBondContact OD1-CB 3.27Å; D334-K336 VanDerWaalsContact OD1-CG 3.28Å; D334-K336 WeakPolarHBondContact OD1-CG 3.43Å; D334-K336 PolarHBondContact OD1-N 3.27Å
335R78.3Confident77.9Confident104 Ų10462.6 Ų62.639%0.39232%0.321SS..  trans-107.60.2178.2-73.5-179.8-167.6-99.57.5112.5P192 L333P192-R335 HydrophobicContact CB-CB 4.2Å; P192-R335 PolarHBondContact O-NH1 2.7Å; L333-R335 PolarHBondContact O-N 2.91Å
336K82.3Confident78Confident147 Ų14759.5 Ų59.564%0.63930%0.296SS*.SBendtrans-62.9153.1174.6-64.2171.8-177.51780110.4K195 D334K195-K336 VanDerWaalsContact CD-O 3.28Å; K195-K336 WeakPolarHBondContact CD-O 3.42Å; K195-K336 WeakPolarHBondContact CE-O 3.26Å; K195-K336 PolarHBondContact NZ-O 2.88Å; D334-K336 VanDerWaalsContact OD1-CB 3.26Å; D334-K336 WeakPolarHBondContact OD1-CB 3.27Å; D334-K336 VanDerWaalsContact OD1-CG 3.28Å; D334-K336 WeakPolarHBondContact OD1-CG 3.43Å; D334-K336 PolarHBondContact OD1-N 3.27Å
337P86.7Confident78.1Confident55 Ų5555.5 Ų55.536%0.35728%0.276SS..PPolyproline II helixtrans-56.7145.8168.1-23.734.5000111.4H177 L178 D179 I339H177-P337 HydrophobicContact CB-CB 4.27Å; L178-P337 CarbonylContact O-C 3.48Å; L178-P337 WeakPolarHBondContact O-CA 3.3Å; D179-P337 HydrophobicContact CB-CB 4.05Å; D179-P337 HydrophobicContact CB-CG 4.15Å; P337-I339 PolarHBondContact O-N 3.32Å
338V88.2Confident78.2Confident7 Ų752.7 Ų52.74%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-68.1126.5164.81770000107.4H177 L178 K195 F201H177-V338 CarbonylContact C-O 3.54Å; H177-V338 WeakPolarHBondContact CA-O 3.13Å; L178-V338 PolarHBondContact N-O 3.1Å; L178-V338 PolarHBondContact O-N 3.34Å; K195-V338 HydrophobicContact CD-CG2 3.91Å; F201-V338 HydrophobicContact CE1-CG2 4.22Å; F201-V338 HydrophobicContact CE2-CB 4.48Å; F201-V338 HydrophobicContact CE2-CG2 3.62Å; F201-V338 HydrophobicContact CZ-CB 4.14Å; F201-V338 HydrophobicContact CZ-CG2 3.42Å; F201-V338 VanDerWaalsContact CZ-CG2 3.42Å
339I89.7Confident78.8Confident87 Ų8749.5 Ų49.545%0.44625%0.249SC..EExtended strand (participates in β ladder)trans-109.5145.1178.559.4172.9000110.9R175 L176 P337R175-I339 HydrophobicContact CG-CB 4.33Å; L176-I339 CarbonylContact O-C 3.59Å; L176-I339 VanDerWaalsContact O-CA 3.29Å; L176-I339 WeakPolarHBondContact O-CA 3.4Å; P337-I339 PolarHBondContact O-N 3.32Å
340E90.2Very high79.3Confident6 Ų653.6 Ų53.63%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-145.3130.9172.6-176.5164.2-104.100110.5L176 R316 Y342 A369 H371L176-E340 PolarHBondContact N-O 2.8Å; L176-E340 PolarHBondContact O-N 2.94Å; R316-E340 VanDerWaalsContact CD-OE1 3.25Å; R316-E340 WeakPolarHBondContact CD-OE1 3.33Å; R316-E340 WeakPolarHBondContact CD-OE2 3.45Å; R316-E340 IonicContact CZ-OE1 3.41Å; R316-E340 IonicContact NE-OE1 3.06Å; R316-E340 IonicContact NH1-OE1 3.48Å; R316-E340 PolarHBondContact NH1-OE1 3.27Å; E340-Y342 HydrophobicContact CB-CE2 3.96Å; E340-Y342 HydrophobicContact CG-CD2 4.26Å; E340-Y342 HydrophobicContact CG-CE2 3.68Å; E340-Y342 WeakPolarHBondContact OE2-CE2 3.33Å; E340-Y342 PolarHBondContact OE2-OH 2.9Å; E340-A369 HydrophobicContact CG-CB 4.26Å; E340-H371 IonicContact OE1-CE1 3.31Å; E340-H371 PolarHBondContact OE1-CE1 2.86Å; E340-H371 IonicContact OE1-ND1 2.74Å; E340-H371 PolarHBondContact OE1-ND1 3.41Å
341D91.4Very high80.8Confident41 Ų4149.4 Ų49.422%0.21926%0.258CS..EExtended strand (participates in β ladder)trans-98129.9-178.4-67.5-12.7000109.8T173 R175 L218 F370T173-D341 HydrophobicContact CG2-CB 4.34Å; R175-D341 VanDerWaalsContact CB-OD1 3.27Å; R175-D341 WeakPolarHBondContact CB-OD1 3.47Å; R175-D341 VanDerWaalsContact CG-OD1 3.25Å; R175-D341 WeakPolarHBondContact CG-OD1 3.32Å; R175-D341 IonicContact CZ-OD1 2.92Å; R175-D341 IonicContact CZ-OD2 3.6Å; R175-D341 IonicContact NE-OD1 2.7Å; R175-D341 PolarHBondContact NE-OD1 2.85Å; R175-D341 IonicContact NE-OD2 2.8Å; R175-D341 IonicContact NH2-OD1 3.96Å; R175-D341 PolarHBondContact NH2-OD1 3.08Å; R175-D341 IonicContact NH2-OD2 3.73Å; R175-D341 PolarHBondContact NH2-OD2 3.22Å; L218-D341 HydrophobicContact CD1-CB 4.49Å; L218-D341 WeakPolarHBondContact CD1-OD2 3.47Å; D341-F370 PolarHBondContact O-N 3.05Å
342Y90.7Very high82.3Confident6 Ų657.4 Ų57.42%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-115116.4-178.2-70.5-98.9000109.8T173 L174 L176 L314 R315 R316 E340 V367 T368 A369T173-Y342 WeakPolarHBondContact CA-O 3.34Å; L174-Y342 PolarHBondContact N-O 2.87Å; L174-Y342 PolarHBondContact O-N 2.86Å; L176-Y342 HydrophobicContact CB-CD2 4.13Å; L176-Y342 HydrophobicContact CB-CE2 3.71Å; L176-Y342 HydrophobicContact CD2-CE2 3.79Å; L176-Y342 HydrophobicContact CG-CE2 4.41Å; L314-Y342 HydrophobicContact CB-CE1 4.19Å; L314-Y342 HydrophobicContact CB-CE2 4.22Å; L314-Y342 HydrophobicContact CD1-CD2 4.23Å; L314-Y342 HydrophobicContact CD1-CE2 4.49Å; L314-Y342 HydrophobicContact CD2-CD1 3.86Å; L314-Y342 HydrophobicContact CD2-CD2 4.29Å; L314-Y342 HydrophobicContact CD2-CE1 4.27Å; L314-Y342 HydrophobicContact CD2-CG 3.84Å; R315-Y342 PolarHBondContact N-OH 2.97Å; R315-Y342 PolarHBondContact O-OH 2.95Å; R316-Y342 PolarHBondContact N-OH 3.37Å; E340-Y342 HydrophobicContact CB-CE2 3.96Å; E340-Y342 HydrophobicContact CG-CD2 4.26Å; E340-Y342 HydrophobicContact CG-CE2 3.68Å; E340-Y342 WeakPolarHBondContact OE2-CE2 3.33Å; E340-Y342 PolarHBondContact OE2-OH 2.9Å; Y342-V367 HydrophobicContact CD1-CG1 3.82Å; Y342-T368 CarbonylContact C-O 3.59Å; Y342-T368 WeakPolarHBondContact CA-O 3.44Å; Y342-A369 HydrophobicContact CD1-CB 3.96Å; Y342-A369 HydrophobicContact CE1-CB 3.76Å
343T88.8Confident83.6Confident36 Ų3658.3 Ų58.322%0.22129%0.29CS..EExtended strand (participates in β ladder)trans-84117168.8-54.10000109.4T368T343-T368 PolarHBondContact N-O 2.96Å; T343-T368 PolarHBondContact O-N 2.93Å
344I88.2Confident84.7Confident0 Ų057.4 Ų57.40%029%0.292CS..EExtended strand (participates in β ladder)trans-105.9112.2179.4-57.4156.5000107.5S171 V172 L174 L224 L312 I364 N366 V367S171-I344 CarbonylContact C-O 3.52Å; S171-I344 WeakPolarHBondContact CA-O 3.41Å; V172-I344 PolarHBondContact N-O 3.18Å; V172-I344 PolarHBondContact O-N 3.05Å; L174-I344 HydrophobicContact CB-CD1 4.28Å; L174-I344 HydrophobicContact CD1-CD1 3.56Å; L174-I344 HydrophobicContact CG-CD1 3.58Å; L224-I344 HydrophobicContact CD2-CD1 4.06Å; L312-I344 HydrophobicContact CD2-CD1 3.49Å; L312-I344 VanDerWaalsContact CD2-CD1 3.49Å; L312-I344 HydrophobicContact CD2-CG1 4.26Å; I344-I364 HydrophobicContact CG2-CB 4.47Å; I344-I364 HydrophobicContact CG2-CD1 3.97Å; I344-I364 HydrophobicContact CG2-CG1 4.05Å; I344-I364 HydrophobicContact CG2-CG2 3.7Å; I344-N366 CarbonylContact C-O 3.52Å; I344-N366 WeakPolarHBondContact CA-O 3.41Å; I344-V367 HydrophobicContact CG1-CG1 4.39Å; I344-V367 HydrophobicContact CG1-CG2 4.47Å; I344-V367 HydrophobicContact CG2-CG2 4.5Å
345K86.3Confident85.5Confident106 Ų10656 Ų5646%0.46128%0.284SS..EExtended strand (participates in β ladder)trans-85126.2168-65.5-167.2177.7-167.50108.4L365 N366K345-L365 HydrophobicContact CB-CB 4.26Å; K345-L365 WeakPolarHBondContact O-CB 3.26Å; K345-L365 PolarHBondContact O-N 3.14Å; K345-N366 HydrophobicContact CB-CB 4.47Å; K345-N366 PolarHBondContact N-O 3.29Å; K345-N366 PolarHBondContact O-N 2.79Å
346L85.9Confident85.9Confident0 Ų052.1 Ų52.10%027%0.271CS..EExtended strand (participates in β ladder)trans-131.2162.7-17865.492.9000111.7P169 P170 V172 V222 L224 E348 I361 K363 I364P169-L346 CarbonylContact C-O 3.53Å; P169-L346 WeakPolarHBondContact CB-O 3.4Å; P170-L346 HydrophobicContact CB-CD1 4.49Å; P170-L346 VanDerWaalsContact CD-O 3.29Å; P170-L346 WeakPolarHBondContact CD-O 3.48Å; P170-L346 HydrophobicContact CG-CD1 3.68Å; P170-L346 HydrophobicContact CG-CG 4.22Å; P170-L346 PolarHBondContact O-N 2.94Å; V172-L346 HydrophobicContact CB-CD2 4.25Å; V172-L346 HydrophobicContact CG2-CD2 3.78Å; V222-L346 HydrophobicContact CG1-CD1 4.44Å; L224-L346 HydrophobicContact CD1-CD2 4.32Å; L346-E348 HydrophobicContact CD1-CG 3.96Å; L346-I361 HydrophobicContact CB-CG2 4.37Å; L346-I361 HydrophobicContact CD1-CB 4.44Å; L346-I361 HydrophobicContact CD1-CD1 4.19Å; L346-I361 HydrophobicContact CD1-CG1 3.91Å; L346-I361 HydrophobicContact CD1-CG2 3.99Å; L346-I361 HydrophobicContact CD2-CD1 4.13Å; L346-K363 CarbonylContact C-O 3.56Å; L346-K363 WeakPolarHBondContact CA-O 3.39Å; L346-I364 HydrophobicContact CB-CG1 4.43Å
347T83.2Confident86.1Confident39 Ų3947.4 Ų47.424%0.23925%0.25CC..EExtended strand (participates in β ladder)trans-116.2149173.946.80000109Q362 K363 L365T347-Q362 PolarHBondContact O-N 3.11Å; T347-K363 PolarHBondContact N-O 3.07Å; T347-K363 PolarHBondContact O-N 2.68Å; T347-K363 PolarHBondContact OG1-N 3.16Å; T347-K363 PolarHBondContact OG1-O 2.82Å; T347-L365 HydrophobicContact CG2-CD1 3.76Å; T347-L365 HydrophobicContact CG2-CD2 3.85Å; T347-L365 HydrophobicContact CG2-CG 3.83Å
348E84.7Confident86Confident5 Ų545.6 Ų45.62%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-115.2155.5176-59.5176.612400108.8R144 P170 L346 I350 L356 G359 K360R144-E348 IonicContact CZ-OE1 2.68Å; R144-E348 IonicContact CZ-OE2 3.69Å; R144-E348 VanDerWaalsContact NH1-CD 3.32Å; R144-E348 IonicContact NH1-OE1 2.68Å; R144-E348 PolarHBondContact NH1-OE1 2.87Å; R144-E348 IonicContact NH1-OE2 3.78Å; R144-E348 PolarHBondContact NH1-OE2 3.33Å; R144-E348 VanDerWaalsContact NH1-OE2 3.17Å; R144-E348 IonicContact NH2-OE1 3.63Å; R144-E348 IonicContact NH2-OE2 3.97Å; R144-E348 PolarHBondContact NH2-OE2 3.3Å; P170-E348 HydrophobicContact CG-CG 4.22Å; L346-E348 HydrophobicContact CD1-CG 3.96Å; E348-I350 PolarHBondContact O-N 2.92Å; E348-L356 HydrophobicContact CB-CD1 4Å; E348-G359 WeakPolarHBondContact OE1-CA 3.26Å; E348-G359 PolarHBondContact OE1-N 3.21Å; E348-K360 CarbonylContact C-O 3.46Å; E348-K360 VanDerWaalsContact CA-O 3.23Å; E348-K360 WeakPolarHBondContact CA-O 3.08Å
349S84.4Confident85.4Confident26 Ų2647 Ų4718%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-64.6129.2-175.260.70000111Y357 K360S349-Y357 PolarHBondContact O-N 3.1Å; S349-K360 PolarHBondContact N-O 3.38Å; S349-K360 WeakPolarHBondContact OG-CD 3.44Å; S349-K360 WeakPolarHBondContact OG-CG 3.49Å
350I84.6Confident84.9Confident104 Ų10445.9 Ų45.953%0.53325%0.248SC..EExtended strand (participates in β ladder)trans-110.4136.4172.7-62170.1000107.3E348 N355 L356E348-I350 PolarHBondContact O-N 2.92Å; I350-N355 CarbonylContact C-O 3.57Å; I350-N355 VanDerWaalsContact CA-O 3.23Å; I350-N355 WeakPolarHBondContact CA-O 3.44Å; I350-L356 HydrophobicContact CD1-CD1 4.29Å; I350-L356 HydrophobicContact CG1-CD1 3.73Å
351D84.9Confident84.5Confident41 Ų4146 Ų4622%0.21925%0.248CC..  trans-79.9176.3175.870.512.1000113.2N353 G354 N355 Y357D351-N353 PolarHBondContact O-N 2.93Å; D351-N353 VanDerWaalsContact O-N 3.13Å; D351-N353 WeakPolarHBondContact OD1-CA 3.15Å; D351-N353 WeakPolarHBondContact OD1-CB 3.31Å; D351-N353 PolarHBondContact OD1-N 3.35Å; D351-G354 PolarHBondContact O-N 3.26Å; D351-G354 PolarHBondContact OD1-N 2.93Å; D351-N355 PolarHBondContact N-O 2.8Å; D351-N355 WeakPolarHBondContact OD1-CB 3.26Å; D351-N355 PolarHBondContact OD1-N 3.21Å; D351-N355 PolarHBondContact OD1-ND2 2.67Å; D351-N355 WeakPolarHBondContact OD2-CB 3.39Å; D351-N355 PolarHBondContact OD2-ND2 3.16Å; D351-Y357 HydrophobicContact CB-CE2 3.92Å
352E82.5Confident84Confident201 Ų20150 Ų5094%0.93927%0.266SS*.THydrogen-bonded Turntrans-60.5-20.1178.2-59.5-177.117000113.4
353N80.6Confident83.7Confident124 Ų12456.1 Ų56.166%0.66329%0.292SS*.THydrogen-bonded Turntrans-92.5-1178.1-57.2-52.6000112.7D351D351-N353 PolarHBondContact O-N 2.93Å; D351-N353 VanDerWaalsContact O-N 3.13Å; D351-N353 WeakPolarHBondContact OD1-CA 3.15Å; D351-N353 WeakPolarHBondContact OD1-CB 3.31Å; D351-N353 PolarHBondContact OD1-N 3.35Å
354G79.9Confident83.3Confident25 Ų2556 Ų5626%0.25829%0.29SS..  trans82.314.6-178.100000114.8R16 D351R16-G354 WeakPolarHBondContact CD-O 3.49Å; D351-G354 PolarHBondContact O-N 3.26Å; D351-G354 PolarHBondContact OD1-N 2.93Å
355N84Confident83Confident15 Ų1560.5 Ų60.58%0.0831%0.314CS..  trans-82.4138.8175.6-55.5-55.6000111.7C17 Y19 I350 D351C17-N355 PolarHBondContact N-OD1 2.96Å; C17-N355 CarbonylContact O-C 3.13Å; C17-N355 VanDerWaalsContact O-CA 3.28Å; C17-N355 WeakPolarHBondContact O-CA 3.49Å; C17-N355 WeakPolarHBondContact O-CB 3.4Å; Y19-N355 HydrophobicContact CD2-CB 3.79Å; Y19-N355 HydrophobicContact CE2-CB 3.53Å; I350-N355 CarbonylContact C-O 3.57Å; I350-N355 VanDerWaalsContact CA-O 3.23Å; I350-N355 WeakPolarHBondContact CA-O 3.44Å; D351-N355 PolarHBondContact N-O 2.8Å; D351-N355 WeakPolarHBondContact OD1-CB 3.26Å; D351-N355 PolarHBondContact OD1-N 3.21Å; D351-N355 PolarHBondContact OD1-ND2 2.67Å; D351-N355 WeakPolarHBondContact OD2-CB 3.39Å; D351-N355 PolarHBondContact OD2-ND2 3.16Å
356L86.1Confident83Confident24 Ų2459.4 Ų59.413%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-95.2128.6-176.5-176.972.1000111.2C17 I18 Y19 E348 I350C17-L356 PolarHBondContact O-N 3.43Å; I18-L356 CarbonylContact C-O 3.59Å; I18-L356 WeakPolarHBondContact CA-O 3.41Å; I18-L356 HydrophobicContact CD1-CD2 4.38Å; I18-L356 HydrophobicContact CG1-CB 4.32Å; I18-L356 HydrophobicContact CG1-CD2 4.4Å; Y19-L356 PolarHBondContact N-O 3.45Å; E348-L356 HydrophobicContact CB-CD1 4Å; I350-L356 HydrophobicContact CD1-CD1 4.29Å; I350-L356 HydrophobicContact CG1-CD1 3.73Å
357Y87.8Confident83Confident47 Ų4761.6 Ų61.618%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-94.3100.9173.7-71.4-111.1000109.9Y19 E21 S349 D351 G359 K360Y19-Y357 HydrophobicContact CD1-CE1 4.45Å; Y19-Y357 HydrophobicContact CG-CE1 4.38Å; E21-Y357 HydrophobicContact CG-CD1 4.22Å; E21-Y357 WeakPolarHBondContact OE1-CD1 3.36Å; E21-Y357 WeakPolarHBondContact OE1-CE1 3.45Å; S349-Y357 PolarHBondContact O-N 3.1Å; D351-Y357 HydrophobicContact CB-CE2 3.92Å; Y357-G359 PolarHBondContact O-N 3.48Å; Y357-K360 HydrophobicContact CD1-CD 4.22Å; Y357-K360 HydrophobicContact CG-CD 4.31Å; Y357-K360 WeakPolarHBondContact O-CB 3.45Å; Y357-K360 PolarHBondContact O-N 2.88Å
358A83.2Confident83.1Confident17 Ų1762.8 Ų62.814%0.1433%0.333CS..EExtended strand (participates in β ladder)trans-65.1127-176.300000111.8I18 Y19 F20 K360I18-A358 HydrophobicContact CG2-CB 3.83Å; Y19-A358 PolarHBondContact O-N 3.27Å; F20-A358 HydrophobicContact CD1-CB 3.7Å; F20-A358 HydrophobicContact CD2-CB 4.33Å; F20-A358 HydrophobicContact CE1-CB 3.58Å; F20-A358 HydrophobicContact CE2-CB 4.21Å; F20-A358 HydrophobicContact CG-CB 4.1Å; F20-A358 HydrophobicContact CZ-CB 3.85Å; A358-K360 VanDerWaalsContact C-N 3.32Å
359G76Confident83Confident37 Ų3764.2 Ų64.238%0.38135%0.346SS..EExtended strand (participates in β ladder)trans87.4-8.4-17800000114.4E348 Y357 I361E348-G359 WeakPolarHBondContact OE1-CA 3.26Å; E348-G359 PolarHBondContact OE1-N 3.21Å; Y357-G359 PolarHBondContact O-N 3.48Å; G359-I361 PolarHBondContact O-N 2.96Å
360K80.6Confident82.2Confident64 Ų6469.8 Ų69.828%0.27837%0.367SS..EExtended strand (participates in β ladder)trans-93.277.4-178.3-163.7165.9-179.3171.30110.2E21 E348 S349 Y357 A358 Q362E21-K360 IonicContact OE1-NZ 3.87Å; E21-K360 PolarHBondContact OE1-NZ 2.87Å; E21-K360 IonicContact OE2-NZ 2.76Å; E21-K360 PolarHBondContact OE2-NZ 3.49Å; E348-K360 CarbonylContact C-O 3.46Å; E348-K360 VanDerWaalsContact CA-O 3.23Å; E348-K360 WeakPolarHBondContact CA-O 3.08Å; S349-K360 PolarHBondContact N-O 3.38Å; S349-K360 WeakPolarHBondContact OG-CD 3.44Å; S349-K360 WeakPolarHBondContact OG-CG 3.49Å; Y357-K360 HydrophobicContact CD1-CD 4.22Å; Y357-K360 HydrophobicContact CG-CD 4.31Å; Y357-K360 WeakPolarHBondContact O-CB 3.45Å; Y357-K360 PolarHBondContact O-N 2.88Å; A358-K360 VanDerWaalsContact C-N 3.32Å; K360-Q362 PolarHBondContact O-N 3.27Å
361I80.8Confident80.8Confident9 Ų969.5 Ų69.55%0.04636%0.363CS..EExtended strand (participates in β ladder)trans-63.5126.8-175.2-54.7178.9000110.3L224 L308 L346 G359L224-I361 HydrophobicContact CD1-CD1 3.32Å; L308-I361 HydrophobicContact CD1-CG2 4.44Å; L346-I361 HydrophobicContact CB-CG2 4.37Å; L346-I361 HydrophobicContact CD1-CB 4.44Å; L346-I361 HydrophobicContact CD1-CD1 4.19Å; L346-I361 HydrophobicContact CD1-CG1 3.91Å; L346-I361 HydrophobicContact CD1-CG2 3.99Å; L346-I361 HydrophobicContact CD2-CD1 4.13Å; G359-I361 PolarHBondContact O-N 2.96Å
362Q81.4Confident78.6Confident124 Ų12472.7 Ų72.758%0.57939%0.387SS*.EExtended strand (participates in β ladder)trans-100.3-46.6-179.6-176.2177.91100111.9T347 K360T347-Q362 PolarHBondContact O-N 3.11Å; K360-Q362 PolarHBondContact O-N 3.27Å
363K82.9Confident76.4Confident135 Ų13567.3 Ų67.359%0.58736%0.361SS*.EExtended strand (participates in β ladder)trans-157.3142.5-176.2-179171.6-178.51760112.4L346 T347L346-K363 CarbonylContact C-O 3.56Å; L346-K363 WeakPolarHBondContact CA-O 3.39Å; T347-K363 PolarHBondContact N-O 3.07Å; T347-K363 PolarHBondContact O-N 2.68Å; T347-K363 PolarHBondContact OG1-N 3.16Å; T347-K363 PolarHBondContact OG1-O 2.82Å
364I82.3Confident73.9Confident33 Ų3368.8 Ų68.817%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-82.4125.8167.1-63.9179.4000109.2I305 L308 L312 I344 L346 V367I305-I364 HydrophobicContact CD1-CD1 4.1Å; L308-I364 HydrophobicContact CD2-CD1 3.58Å; L308-I364 HydrophobicContact CD2-CG1 3.96Å; L312-I364 HydrophobicContact CB-CD1 3.98Å; L312-I364 HydrophobicContact CD1-CD1 3.9Å; L312-I364 HydrophobicContact CD2-CD1 4.09Å; L312-I364 HydrophobicContact CG-CD1 4.21Å; I344-I364 HydrophobicContact CG2-CB 4.47Å; I344-I364 HydrophobicContact CG2-CD1 3.97Å; I344-I364 HydrophobicContact CG2-CG1 4.05Å; I344-I364 HydrophobicContact CG2-CG2 3.7Å; L346-I364 HydrophobicContact CB-CG1 4.43Å; I364-V367 HydrophobicContact CG2-CG2 3.68Å
365L81.9Confident71.3Confident95 Ų9575 Ų7550%0.49740%0.397SS..EExtended strand (participates in β ladder)trans-86.3-44.1180-64.8177.6000112.5P169 K345 T347P169-L365 HydrophobicContact CB-CD1 3.78Å; P169-L365 HydrophobicContact CG-CD1 4.07Å; K345-L365 HydrophobicContact CB-CB 4.26Å; K345-L365 WeakPolarHBondContact O-CB 3.26Å; K345-L365 PolarHBondContact O-N 3.14Å; T347-L365 HydrophobicContact CG2-CD1 3.76Å; T347-L365 HydrophobicContact CG2-CD2 3.85Å; T347-L365 HydrophobicContact CG2-CG 3.83Å
366N84.4Confident68.6Low82 Ų8279.5 Ų79.544%0.43942%0.42SS..EExtended strand (participates in β ladder)trans-157.2146.8-175.2-17313.8000110.1I344 K345 T368I344-N366 CarbonylContact C-O 3.52Å; I344-N366 WeakPolarHBondContact CA-O 3.41Å; K345-N366 HydrophobicContact CB-CB 4.47Å; K345-N366 PolarHBondContact N-O 3.29Å; K345-N366 PolarHBondContact O-N 2.79Å; N366-T368 PolarHBondContact ND2-OG1 3.41Å; N366-T368 VanDerWaalsContact ND2-OG1 3.14Å
367V86.6Confident65.6Low47 Ų4783 Ų8329%0.28545%0.447SS..EExtended strand (participates in β ladder)trans-126.9111.2175.8-178.30000106.8L312 L314 Y342 I344 I364L312-V367 HydrophobicContact CD1-CG1 4.32Å; L312-V367 HydrophobicContact CD1-CG2 3.5Å; L312-V367 VanDerWaalsContact CD1-CG2 3.5Å; L314-V367 HydrophobicContact CD2-CG1 4.06Å; Y342-V367 HydrophobicContact CD1-CG1 3.82Å; I344-V367 HydrophobicContact CG1-CG1 4.39Å; I344-V367 HydrophobicContact CG1-CG2 4.47Å; I344-V367 HydrophobicContact CG2-CG2 4.5Å; I364-V367 HydrophobicContact CG2-CG2 3.68Å
368T86Confident62.7Low63 Ų6387.6 Ų87.639%0.38747%0.473SS..EExtended strand (participates in β ladder)trans-117115.6-175.4-53.20000109.8Y342 T343 N366Y342-T368 CarbonylContact C-O 3.59Å; Y342-T368 WeakPolarHBondContact CA-O 3.44Å; T343-T368 PolarHBondContact N-O 2.96Å; T343-T368 PolarHBondContact O-N 2.93Å; N366-T368 PolarHBondContact ND2-OG1 3.41Å; N366-T368 VanDerWaalsContact ND2-OG1 3.14Å
369A82.5Confident59.9Low36 Ų3691.8 Ų91.830%0.29850%0.496SS..EExtended strand (participates in β ladder)trans-74.3135.3172.200000110.5E340 Y342E340-A369 HydrophobicContact CG-CB 4.26Å; Y342-A369 HydrophobicContact CD1-CB 3.96Å; Y342-A369 HydrophobicContact CE1-CB 3.76Å
370F67.2Low57.5Low143 Ų14394.4 Ų94.463%0.62751%0.507SS*.EExtended strand (participates in β ladder)trans-92.9103.7171.3-125.5-87000108.9D341 P372D341-F370 PolarHBondContact O-N 3.05Å; F370-P372 WeakPolarHBondContact O-CD 3.5Å
371H54.2Low55Low97 Ų9796.1 Ų96.145%0.44953%0.527SS..  trans-85.3121.8167.9-65.7-29.7000109.5R316 E340 E373R316-H371 PolarHBondContact NH1-CE1 3Å; R316-H371 PolarHBondContact NH1-ND1 3.2Å; E340-H371 IonicContact OE1-CE1 3.31Å; E340-H371 PolarHBondContact OE1-CE1 2.86Å; E340-H371 IonicContact OE1-ND1 2.74Å; E340-H371 PolarHBondContact OE1-ND1 3.41Å; H371-E373 PolarHBondContact O-N 3.41Å; H371-E373 VanDerWaalsContact O-N 3.13Å
372P40.3Very low52.6Low109 Ų109100.8 Ų100.871%0.70856%0.556SS**THydrogen-bonded Turntrans-64.9-11.5177.5-23.935.6000115.3F370F370-P372 WeakPolarHBondContact O-CD 3.5Å
373E35.4Very low50.3Low87 Ų8799.6 Ų99.641%0.40756%0.556SS.*THydrogen-bonded Turntrans-91.5-3.7-167.2-68.2-149136.500116.3R319 H371 N375 L376R319-E373 IonicContact NH2-OE2 3.88Å; H371-E373 PolarHBondContact O-N 3.41Å; H371-E373 VanDerWaalsContact O-N 3.13Å; E373-N375 PolarHBondContact O-N 3.21Å; E373-N375 VanDerWaalsContact O-N 3.07Å; E373-L376 HydrophobicContact CB-CD1 4.01Å; E373-L376 HydrophobicContact CG-CD1 4.01Å; E373-L376 PolarHBondContact O-N 3.27Å; E373-L376 VanDerWaalsContact O-N 3.14Å
374N28.6Very low47.7Very low155 Ų15599.6 Ų99.683%0.82956%0.563SS**THydrogen-bonded Turntrans-75.35.9-177.4-98.69000115.9
375N25.6Very low45.4Very low157 Ų157105.7 Ų105.784%0.8459%0.591SS**THydrogen-bonded Turntrans-115.520.2168.2-89.6-14.8000113.4E373 S377E373-N375 PolarHBondContact O-N 3.21Å; E373-N375 VanDerWaalsContact O-N 3.07Å; N375-S377 PolarHBondContact O-N 2.93Å
376L26.1Very low43.1Very low109 Ų109105.9 Ų105.957%0.57160%0.596SS**  trans-72.558.8163.5-86.3158.2000111.8E373 I378E373-L376 HydrophobicContact CB-CD1 4.01Å; E373-L376 HydrophobicContact CG-CD1 4.01Å; E373-L376 PolarHBondContact O-N 3.27Å; E373-L376 VanDerWaalsContact O-N 3.14Å; L376-I378 HydrophobicContact CD2-CG1 4.3Å; L376-I378 PolarHBondContact O-N 2.86Å
377S23.8Very low40.9Very low98 Ų98111.2 Ų111.269%0.68562%0.618SS**  trans-70.189.9151-74.40000107.1N375 V379N375-S377 PolarHBondContact O-N 2.93Å; S377-V379 PolarHBondContact O-N 3.09Å
378I26.3Very low38.8Very low143 Ų143115.9 Ų115.973%0.73364%0.642SS**  trans-64.877.9157-57.1174.6000105.8L376 P380L376-I378 HydrophobicContact CD2-CG1 4.3Å; L376-I378 PolarHBondContact O-N 2.86Å; I378-P380 WeakPolarHBondContact O-CD 3.35Å
379V24.3Very low37.2Very low104 Ų104114.7 Ų114.763%0.6364%0.636SS**  trans-78.8103.3156.7-172.60000103.9S377 S381S377-V379 PolarHBondContact O-N 3.09Å; V379-S381 PolarHBondContact O-N 3.41Å
380P25.9Very low36.1Very low92 Ų92118.5 Ų118.560%0.59765%0.651SS**  trans-56.8116.8158.227.6-31.7000104.5I378 V382I378-P380 WeakPolarHBondContact O-CD 3.35Å; P380-V382 HydrophobicContact CB-CG2 4.32Å; P380-V382 HydrophobicContact CG-CG2 4.45Å; P380-V382 PolarHBondContact O-N 2.89Å
381S28.3Very low36.3Very low101 Ų101116.5 Ų116.571%0.70665%0.647SS**  trans-72.267.8170.6-66.20000107.9V379 V383V379-S381 PolarHBondContact O-N 3.41Å; S381-V383 PolarHBondContact O-N 3.3Å
382V30.5Very low37.5Very low107 Ų107118.5 Ų118.565%0.64866%0.657SS**  trans-5798.9150.1-179.30000103.5P380 N384P380-V382 HydrophobicContact CB-CG2 4.32Å; P380-V382 HydrophobicContact CG-CG2 4.45Å; P380-V382 PolarHBondContact O-N 2.89Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 2.95Å
383V33.5Very low39.6Very low98 Ų98115.7 Ų115.759%0.59464%0.639SS**  trans-59.1103.7163.3177.80000104.1S381 Q385S381-V383 PolarHBondContact O-N 3.3Å; V383-Q385 VanDerWaalsContact C-N 3.27Å; V383-Q385 PolarHBondContact O-N 3.18Å
384N29.1Very low42Very low135 Ų135112.4 Ų112.472%0.72262%0.623SS**  trans-57.7103.9162.6-84.8-15.5000105V382 T386V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 2.95Å; N384-T386 PolarHBondContact O-N 3.32Å
385Q32.4Very low44.7Very low161 Ų161109.8 Ų109.875%0.75261%0.607SS**  trans-64.789.4173.9-71.4176.3-14.100106.9V383V383-Q385 VanDerWaalsContact C-N 3.27Å; V383-Q385 PolarHBondContact O-N 3.18Å
386T34.1Very low47.8Very low100 Ų100102.7 Ų102.761%0.61357%0.57SS**  trans-67.6138.2153.441.10000106.5N384 D388 S389N384-T386 PolarHBondContact O-N 3.32Å; T386-D388 PolarHBondContact O-N 2.93Å; T386-S389 VanDerWaalsContact O-CB 3.3Å; T386-S389 WeakPolarHBondContact O-CB 3.35Å; T386-S389 PolarHBondContact O-N 3.08Å
387E37.8Very low50.6Low193 Ų19397.6 Ų97.690%0.90254%0.544SS*.G310 helixtrans-64.3-12.7-165.1-61.3-179.5150.600113.4
388D42.4Very low53.7Low146 Ų14695.2 Ų95.278%0.78152%0.523SS*.G310 helixtrans-78.3-13.1173-68.6-49.3000114.8T386 D390T386-D388 PolarHBondContact O-N 2.93Å; D388-D390 VanDerWaalsContact C-N 3.26Å; D388-D390 PolarHBondContact O-N 2.73Å
389S53Low56.1Low37 Ų3790 Ų9026%0.25951%0.505SS..G310 helixtrans-70.6-10.7-170.7-176.30000115.3T386 N391 K694T386-S389 VanDerWaalsContact O-CB 3.3Å; T386-S389 WeakPolarHBondContact O-CB 3.35Å; T386-S389 PolarHBondContact O-N 3.08Å; S389-N391 VanDerWaalsContact C-N 3.32Å; S389-N391 PolarHBondContact O-N 3.43Å; S389-K694 PolarHBondContact O-NZ 3.35Å
390D60.2Low58.3Low116 Ų11691.9 Ų91.962%0.6251%0.51SS*.G310 helixtrans-69.4-27.3-169.7-93.8-13.5000114.2D388 V690 K694D388-D390 VanDerWaalsContact C-N 3.26Å; D388-D390 PolarHBondContact O-N 2.73Å; D390-V690 WeakPolarHBondContact O-CG1 3.5Å; D390-K694 PolarHBondContact O-NZ 2.75Å
391N69.8Low60.4Low102 Ų10289.2 Ų89.255%0.54549%0.492SS..G310 helixtrans-78.8-19.9-176.8-67.6-60.5000114.7S389 K686S389-N391 VanDerWaalsContact C-N 3.32Å; S389-N391 PolarHBondContact O-N 3.43Å; N391-K686 WeakPolarHBondContact OD1-CE 3.34Å; N391-K686 PolarHBondContact OD1-NZ 2.85Å
392E80.1Confident62.1Low139 Ų13986.7 Ų86.765%0.6548%0.475SS*.SBendtrans-79.8135.2-177-66.2-158.5147.600112.8V690 K694E392-V690 WeakPolarHBondContact O-CG1 3.28Å; E392-K694 WeakPolarHBondContact O-CE 3.4Å; E392-K694 PolarHBondContact O-NZ 2.74Å
393P83.9Confident63.7Low50 Ų5090.3 Ų90.333%0.32548%0.476SS..PPolyproline II helixtrans-67.5147.3175.729-34.6000111.5M395 V690P393-M395 PolarHBondContact O-N 2.87Å; P393-V690 HydrophobicContact CB-CG2 4.17Å
394L86.3Confident64.7Low17 Ų1791.9 Ų91.99%0.08948%0.477CS..PPolyproline II helixtrans-56.2128.3176.3-164.773.7000111N398 P642 K694 L697L394-N398 HydrophobicContact CD1-CB 4.29Å; L394-N398 WeakPolarHBondContact CD1-ND2 3.38Å; L394-N398 HydrophobicContact CD2-CB 4.24Å; L394-N398 HydrophobicContact CG-CB 4.19Å; L394-N398 WeakPolarHBondContact CG-ND2 3.47Å; L394-P642 HydrophobicContact CD2-CG 3.77Å; L394-K694 HydrophobicContact CB-CG 4.44Å; L394-K694 HydrophobicContact CD1-CG 4.34Å; L394-L697 HydrophobicContact CD1-CD1 3.96Å; L394-L697 HydrophobicContact CD2-CD2 4.48Å
395M86.1Confident66.1Low100 Ų10088.1 Ų88.149%0.49346%0.459SS..PPolyproline II helixtrans-66.3136171.6-67.7-179.771.400109.9P393 N398 P522 A523P393-M395 PolarHBondContact O-N 2.87Å; M395-N398 WeakPolarHBondContact O-CB 3.28Å; M395-N398 VanDerWaalsContact O-CG 3.28Å; M395-N398 PolarHBondContact O-ND2 3.08Å; M395-P522 HydrophobicContact CE-CB 4.1Å; M395-P522 HydrophobicContact CE-CG 3.75Å; M395-A523 HydrophobicContact CB-CB 4.11Å
396S89.5Confident67.5Low9 Ų987 Ų876%0.06346%0.464CS..THydrogen-bonded Turntrans-63.6150.6175.374.70000110.9N398 R519 F521 P522 F558 A639S396-N398 VanDerWaalsContact C-N 3.31Å; S396-R519 PolarHBondContact OG-O 3.25Å; S396-F521 CarbonylContact O-C 3.6Å; S396-F521 WeakPolarHBondContact O-CA 3.38Å; S396-F521 WeakPolarHBondContact OG-CA 3.47Å; S396-F521 PolarHBondContact OG-N 3.46Å; S396-P522 WeakPolarHBondContact OG-CD 3.29Å; S396-F558 WeakPolarHBondContact OG-CE1 3.39Å; S396-A639 WeakPolarHBondContact CB-O 3.39Å
397G85.8Confident69.6Low1 Ų185 Ų851%0.0145%0.449CS..THydrogen-bonded Turntrans81.35.7-175.400000114.7F521 L643G397-F521 VanDerWaalsContact N-CD1 3.25Å; G397-L643 WeakPolarHBondContact O-CD1 3.27Å
398N87.6Confident71.5Confident48 Ų4878.9 Ų78.926%0.25742%0.423SS..  trans-70.5132.2172.3-85-12.2000111.6L394 M395 S396 A523 P642 L643L394-N398 HydrophobicContact CD1-CB 4.29Å; L394-N398 WeakPolarHBondContact CD1-ND2 3.38Å; L394-N398 HydrophobicContact CD2-CB 4.24Å; L394-N398 HydrophobicContact CG-CB 4.19Å; L394-N398 WeakPolarHBondContact CG-ND2 3.47Å; M395-N398 WeakPolarHBondContact O-CB 3.28Å; M395-N398 VanDerWaalsContact O-CG 3.28Å; M395-N398 PolarHBondContact O-ND2 3.08Å; S396-N398 VanDerWaalsContact C-N 3.31Å; N398-A523 WeakPolarHBondContact OD1-CB 3.29Å; N398-P642 CarbonylContact O-C 3.6Å; N398-P642 WeakPolarHBondContact O-CA 3.47Å; N398-L643 PolarHBondContact O-N 2.67Å
399G77.1Confident73.4Confident34 Ų3477 Ų7735%0.35141%0.409SS..SBendtrans133164.4-179.500000111.9
400I71.2Confident75Confident144 Ų14476 Ų7674%0.73840%0.401SS*.  trans-100.4130178.6-57.5174.1000108.8
401V69.2Low76.2Confident35 Ų3572.7 Ų72.721%0.21238%0.383CS..  trans-90.597.6167.1-169.40000107.3D475 L565 L643 F647V401-D475 WeakPolarHBondContact CG1-OD2 3.25Å; V401-L565 HydrophobicContact CG2-CD1 4.2Å; V401-L643 HydrophobicContact CG2-CD1 4.25Å; V401-F647 HydrophobicContact CB-CE2 4.38Å; V401-F647 HydrophobicContact CG1-CE2 4.13Å; V401-F647 HydrophobicContact CG2-CE2 3.87Å; V401-F647 HydrophobicContact CG2-CZ 3.85Å
402S64.5Low77Confident49 Ų4972.4 Ų72.434%0.34338%0.381SS..  trans-97.8109.4-174.9-170.90000110.9E404 D475S402-E404 PolarHBondContact O-N 3.23Å; S402-E404 PolarHBondContact OG-N 2.8Å; S402-D475 PolarHBondContact N-OD2 3.4Å; S402-D475 WeakPolarHBondContact O-CB 3.37Å
403R63.2Low77.4Confident182 Ų18268.4 Ų68.469%0.68736%0.362SS*.  trans-76.21171.9-63-177.2178.7176.8-0.3113.1
404E54.7Low77.8Confident131 Ų13166 Ų6661%0.61235%0.347SS*.  trans-81122.5180-60.3-173.5164.800110.2K197 S402 T406K197-E404 IonicContact NZ-OE1 3.98Å; S402-E404 PolarHBondContact O-N 3.23Å; S402-E404 PolarHBondContact OG-N 2.8Å; E404-T406 PolarHBondContact O-N 2.75Å
405V59.7Low77.8Confident56 Ų5665.8 Ų65.834%0.33935%0.348SS..  trans-83.8112.7177.5-179.60000108.6L411V405-L411 HydrophobicContact CG1-CB 3.84Å; V405-L411 HydrophobicContact CG1-CD1 4.3Å; V405-L411 HydrophobicContact CG1-CD2 4.06Å; V405-L411 HydrophobicContact CG1-CG 4.27Å; V405-L411 HydrophobicContact CG2-CD1 4.09Å; V405-L411 HydrophobicContact CG2-CD2 4.24Å
406T62.2Low77.9Confident139 Ų13967.1 Ų67.185%0.85335%0.353SS*.  trans-95-23.7178.6530000113.6E404E404-T406 PolarHBondContact O-N 2.75Å
407D76.4Confident78.1Confident58 Ų5866.9 Ų66.931%0.3135%0.351SS..  trans-113.792177.3-174.7-12.6000110.1Q409 L410 L411 R471D407-Q409 PolarHBondContact O-N 3Å; D407-Q409 WeakPolarHBondContact OD1-CB 3.34Å; D407-Q409 PolarHBondContact OD1-N 2.91Å; D407-Q409 VanDerWaalsContact OD1-N 3.12Å; D407-L410 HydrophobicContact CB-CB 3.81Å; D407-L410 HydrophobicContact CB-CD2 4.41Å; D407-L410 PolarHBondContact O-N 2.89Å; D407-L410 PolarHBondContact OD1-N 2.87Å; D407-L410 VanDerWaalsContact OD2-CB 3.31Å; D407-L410 WeakPolarHBondContact OD2-CB 3.32Å; D407-L411 PolarHBondContact O-N 3.27Å; D407-R471 IonicContact OD2-CZ 3.61Å; D407-R471 IonicContact OD2-NH2 2.75Å; D407-R471 PolarHBondContact OD2-NH2 3.29Å
408D78.2Confident78.3Confident64 Ų6467.1 Ų67.134%0.34235%0.352SS..Hα-helixtrans-58.3-36176.6-78.1-38.4000112.9R291 L411 L412R291-D408 IonicContact CZ-OD1 3.16Å; R291-D408 IonicContact CZ-OD2 2.74Å; R291-D408 VanDerWaalsContact CZ-OD2 3.31Å; R291-D408 IonicContact NH1-OD1 2.85Å; R291-D408 PolarHBondContact NH1-OD1 3.36Å; R291-D408 IonicContact NH1-OD2 2.81Å; R291-D408 PolarHBondContact NH1-OD2 3.48Å; R291-D408 IonicContact NH2-OD1 2.73Å; R291-D408 PolarHBondContact NH2-OD1 2.89Å; R291-D408 IonicContact NH2-OD2 3.92Å; R291-D408 PolarHBondContact NH2-OD2 3.37Å; D408-L411 PolarHBondContact O-N 3.42Å; D408-L412 WeakPolarHBondContact O-CG 3.19Å; D408-L412 PolarHBondContact O-N 2.89Å
409Q83.8Confident78.4Confident107 Ų10767.8 Ų67.850%0.536%0.358SS..Hα-helixtrans-71.2-40.7-177.4177.258.137.400110.3D407 L411 L412 E413D407-Q409 PolarHBondContact O-N 3Å; D407-Q409 WeakPolarHBondContact OD1-CB 3.34Å; D407-Q409 PolarHBondContact OD1-N 2.91Å; D407-Q409 VanDerWaalsContact OD1-N 3.12Å; Q409-L411 VanDerWaalsContact C-N 3.35Å; Q409-L412 PolarHBondContact O-N 3.25Å; Q409-E413 PolarHBondContact NE2-OE1 2.91Å; Q409-E413 WeakPolarHBondContact O-CG 3.37Å; Q409-E413 PolarHBondContact O-N 3.29Å
410L85.5Confident79.1Confident16 Ų1669.1 Ų69.18%0.08436%0.355CS..Hα-helixtrans-60.8-42.4169.8179.259.4000111.6D407 E413 W414 L468 R471 P474D407-L410 HydrophobicContact CB-CB 3.81Å; D407-L410 HydrophobicContact CB-CD2 4.41Å; D407-L410 PolarHBondContact O-N 2.89Å; D407-L410 PolarHBondContact OD1-N 2.87Å; D407-L410 VanDerWaalsContact OD2-CB 3.31Å; D407-L410 WeakPolarHBondContact OD2-CB 3.32Å; L410-E413 PolarHBondContact O-N 3.12Å; L410-W414 WeakPolarHBondContact O-CB 3.3Å; L410-W414 VanDerWaalsContact O-CD1 3.23Å; L410-W414 PolarHBondContact O-N 3Å; L410-L468 HydrophobicContact CD1-CD2 3.68Å; L410-R471 HydrophobicContact CD1-CB 4.13Å; L410-P474 HydrophobicContact CD2-CG 4.42Å; L410-P474 HydrophobicContact CG-CG 4.4Å
411L84.9Confident80Confident45 Ų4562.3 Ų62.324%0.23632%0.32CS..Hα-helixtrans-63.6-42.1177.5-169.477.3000112.1V405 D407 D408 Q409 W414 G415 L477V405-L411 HydrophobicContact CG1-CB 3.84Å; V405-L411 HydrophobicContact CG1-CD1 4.3Å; V405-L411 HydrophobicContact CG1-CD2 4.06Å; V405-L411 HydrophobicContact CG1-CG 4.27Å; V405-L411 HydrophobicContact CG2-CD1 4.09Å; V405-L411 HydrophobicContact CG2-CD2 4.24Å; D407-L411 PolarHBondContact O-N 3.27Å; D408-L411 PolarHBondContact O-N 3.42Å; Q409-L411 VanDerWaalsContact C-N 3.35Å; L411-W414 PolarHBondContact O-N 3.37Å; L411-G415 PolarHBondContact O-N 3.23Å; L411-L477 HydrophobicContact CD1-CD1 3.85Å; L411-L477 HydrophobicContact CD1-CG 4.46Å
412L86.3Confident80.8Confident96 Ų9662.3 Ų62.350%0.50332%0.318SS..Hα-helixtrans-63.1-45.7175.5-74.3167000111.8D408 Q409 W414 G415 H416D408-L412 WeakPolarHBondContact O-CG 3.19Å; D408-L412 PolarHBondContact O-N 2.89Å; Q409-L412 PolarHBondContact O-N 3.25Å; L412-W414 VanDerWaalsContact C-N 3.31Å; L412-W414 PolarHBondContact O-N 3.33Å; L412-G415 PolarHBondContact O-N 2.91Å; L412-H416 PolarHBondContact O-CD2 2.97Å; L412-H416 PolarHBondContact O-N 3.03Å; L412-H416 VanDerWaalsContact O-N 3.11Å
413E89.7Confident81.8Confident56 Ų5665 Ų6526%0.26233%0.325SS..Hα-helixtrans-58.4-42.3175.2-75.8172.2-146.500111.7Q409 L410 L417 L468 R471Q409-E413 PolarHBondContact NE2-OE1 2.91Å; Q409-E413 WeakPolarHBondContact O-CG 3.37Å; Q409-E413 PolarHBondContact O-N 3.29Å; L410-E413 PolarHBondContact O-N 3.12Å; E413-L417 WeakPolarHBondContact O-CB 3.33Å; E413-L417 PolarHBondContact O-N 3.05Å; E413-L417 VanDerWaalsContact O-N 3.15Å; E413-L468 HydrophobicContact CB-CD1 4.32Å; E413-L468 HydrophobicContact CB-CD2 3.76Å; E413-L468 WeakPolarHBondContact OE2-CD2 3.5Å; E413-R471 IonicContact OE1-NH1 2.7Å; E413-R471 IonicContact OE2-NH1 3.21Å; E413-R471 PolarHBondContact OE2-NH1 3.24Å
414W92.2Very high82.9Confident0 Ų058.8 Ų58.80%030%0.303CS..Hα-helixtrans-65.9-44.8173.9-87.2113.6000113.2L410 L411 L412 H416 L417 V418 L468 V469 I473 L477 V481L410-W414 WeakPolarHBondContact O-CB 3.3Å; L410-W414 VanDerWaalsContact O-CD1 3.23Å; L410-W414 PolarHBondContact O-N 3Å; L411-W414 PolarHBondContact O-N 3.37Å; L412-W414 VanDerWaalsContact C-N 3.31Å; L412-W414 PolarHBondContact O-N 3.33Å; W414-H416 VanDerWaalsContact C-N 3.32Å; W414-H416 PolarHBondContact O-N 2.88Å; W414-L417 HydrophobicContact CE3-CD2 3.8Å; W414-L417 HydrophobicContact CH2-CD2 4.44Å; W414-L417 HydrophobicContact CZ3-CD2 3.62Å; W414-L417 WeakPolarHBondContact O-CB 3.42Å; W414-L417 PolarHBondContact O-N 3.28Å; W414-L417 VanDerWaalsContact O-N 3.09Å; W414-V418 HydrophobicContact CE3-CG2 4.14Å; W414-V418 WeakPolarHBondContact O-CB 3.4Å; W414-V418 WeakPolarHBondContact O-CG2 3.48Å; W414-V418 PolarHBondContact O-N 2.96Å; W414-L468 HydrophobicContact CD2-CB 4.28Å; W414-L468 HydrophobicContact CH2-CB 4.08Å; W414-L468 VanDerWaalsContact CZ2-C 3.48Å; W414-L468 HydrophobicContact CZ2-CB 3.6Å; W414-V469 HydrophobicContact CH2-CG2 3.74Å; W414-V469 HydrophobicContact CZ2-CG2 4.24Å; W414-I473 HydrophobicContact CH2-CD1 4.32Å; W414-I473 HydrophobicContact CH2-CG1 3.83Å; W414-I473 HydrophobicContact CZ2-CB 4.27Å; W414-I473 HydrophobicContact CZ2-CG1 3.62Å; W414-I473 HydrophobicContact CZ2-CG2 4.43Å; W414-L477 HydrophobicContact CB-CD1 3.53Å; W414-L477 HydrophobicContact CG-CD1 3.88Å; W414-V481 HydrophobicContact CE3-CG2 4.16Å; W414-V481 HydrophobicContact CH2-CG1 3.92Å; W414-V481 HydrophobicContact CZ3-CG1 3.7Å; W414-V481 HydrophobicContact CZ3-CG2 3.98Å
415G86.1Confident84.2Confident12 Ų1253.8 Ų53.812%0.12428%0.281CS..Hα-helixtrans-59.4-42-179.500000112.6L411 L412 T419L411-G415 PolarHBondContact O-N 3.23Å; L412-G415 PolarHBondContact O-N 2.91Å; G415-T419 WeakPolarHBondContact O-CB 3.4Å; G415-T419 PolarHBondContact O-N 3.26Å; G415-T419 PolarHBondContact O-OG1 3.05Å
416H89.2Confident85.2Confident128 Ų12857.9 Ų57.959%0.59329%0.291SS*.Hα-helixtrans-63.9-44.5171.9-67.5-52.7000112.3L412 W414 E420L412-H416 PolarHBondContact O-CD2 2.97Å; L412-H416 PolarHBondContact O-N 3.03Å; L412-H416 VanDerWaalsContact O-N 3.11Å; W414-H416 VanDerWaalsContact C-N 3.32Å; W414-H416 PolarHBondContact O-N 2.88Å; H416-E420 PolarHBondContact O-N 3.29Å; H416-E420 VanDerWaalsContact O-N 3.09Å
417L92.2Very high86Confident3 Ų356 Ų562%0.01627%0.272CS..Hα-helixtrans-62.9-48.4180-170.285.3000112.3E413 W414 T419 E420 W421 F461 R464 I465 L468E413-L417 WeakPolarHBondContact O-CB 3.33Å; E413-L417 PolarHBondContact O-N 3.05Å; E413-L417 VanDerWaalsContact O-N 3.15Å; W414-L417 HydrophobicContact CE3-CD2 3.8Å; W414-L417 HydrophobicContact CH2-CD2 4.44Å; W414-L417 HydrophobicContact CZ3-CD2 3.62Å; W414-L417 WeakPolarHBondContact O-CB 3.42Å; W414-L417 PolarHBondContact O-N 3.28Å; W414-L417 VanDerWaalsContact O-N 3.09Å; L417-T419 VanDerWaalsContact C-N 3.31Å; L417-T419 PolarHBondContact O-N 2.89Å; L417-E420 PolarHBondContact O-N 3.37Å; L417-W421 HydrophobicContact CD2-CE3 4.48Å; L417-W421 WeakPolarHBondContact O-CB 3.18Å; L417-W421 PolarHBondContact O-N 3.03Å; L417-F461 HydrophobicContact CD1-CD2 4.33Å; L417-F461 HydrophobicContact CD1-CE2 3.81Å; L417-F461 HydrophobicContact CD1-CZ 4.34Å; L417-F461 HydrophobicContact CG-CE2 4.36Å; L417-R464 HydrophobicContact CD1-CB 3.86Å; L417-I465 HydrophobicContact CD1-CG1 4.36Å; L417-I465 HydrophobicContact CD2-CG1 3.95Å; L417-L468 HydrophobicContact CB-CD1 4.15Å; L417-L468 HydrophobicContact CD1-CD1 4.33Å; L417-L468 HydrophobicContact CD2-CD1 3.83Å; L417-L468 HydrophobicContact CG-CD1 4.32Å
418V90.8Very high85.7Confident6 Ų654.5 Ų54.54%0.03627%0.266CS..Hα-helixtrans-64.2-37.1-178.3171.90000111.1W414 W421 H422 E480 V481 L484W414-V418 HydrophobicContact CE3-CG2 4.14Å; W414-V418 WeakPolarHBondContact O-CB 3.4Å; W414-V418 WeakPolarHBondContact O-CG2 3.48Å; W414-V418 PolarHBondContact O-N 2.96Å; V418-W421 WeakPolarHBondContact O-CB 3.28Å; V418-W421 PolarHBondContact O-N 2.7Å; V418-H422 PolarHBondContact O-N 3.35Å; V418-H422 PolarHBondContact O-ND1 3.48Å; V418-E480 HydrophobicContact CG1-CG 4.31Å; V418-E480 VanDerWaalsContact CG1-OE1 3.25Å; V418-E480 WeakPolarHBondContact CG1-OE1 3.32Å; V418-V481 HydrophobicContact CG2-CG2 3.91Å; V418-L484 HydrophobicContact CG1-CD1 4.26Å
419T88.9Confident85.2Confident62 Ų6256.4 Ų56.438%0.3827%0.273SS..Hα-helixtrans-64.9-45.4174.4-56.60000111.8W330 G415 L417 W421 H423W330-T419 HydrophobicContact CZ3-CG2 4.09Å; W330-T419 WeakPolarHBondContact CZ3-OG1 3.01Å; G415-T419 WeakPolarHBondContact O-CB 3.4Å; G415-T419 PolarHBondContact O-N 3.26Å; G415-T419 PolarHBondContact O-OG1 3.05Å; L417-T419 VanDerWaalsContact C-N 3.31Å; L417-T419 PolarHBondContact O-N 2.89Å; T419-W421 VanDerWaalsContact C-N 3.32Å; T419-W421 PolarHBondContact O-N 2.89Å; T419-H423 PolarHBondContact O-N 2.76Å
420E91.3Very high84Confident62 Ų6255.3 Ų55.329%0.2928%0.282SS..Hα-helixtrans-63.1-38.6174.2-169.2-171.7150.600111.4H416 L417 H423 K424 F461 R464H416-E420 PolarHBondContact O-N 3.29Å; H416-E420 VanDerWaalsContact O-N 3.09Å; L417-E420 PolarHBondContact O-N 3.37Å; E420-H423 PolarHBondContact O-N 3.46Å; E420-K424 HydrophobicContact CG-CD 4.33Å; E420-K424 WeakPolarHBondContact O-CG 3.42Å; E420-K424 PolarHBondContact O-N 3.21Å; E420-K424 WeakPolarHBondContact OE1-CE 3.3Å; E420-F461 HydrophobicContact CB-CE2 4.08Å; E420-F461 HydrophobicContact CG-CD2 4.45Å; E420-F461 HydrophobicContact CG-CE2 3.92Å; E420-F461 VanDerWaalsContact OE1-CD2 3.26Å; E420-F461 WeakPolarHBondContact OE1-CD2 3.42Å; E420-R464 IonicContact OE1-CZ 3.14Å; E420-R464 IonicContact OE1-NH2 3.17Å; E420-R464 PolarHBondContact OE1-NH2 3.1Å; E420-R464 IonicContact OE2-CZ 2.87Å; E420-R464 IonicContact OE2-NH1 2.77Å; E420-R464 PolarHBondContact OE2-NH1 3.35Å; E420-R464 IonicContact OE2-NH2 2.84Å; E420-R464 PolarHBondContact OE2-NH2 3.17Å
421W90Very high82.6Confident1 Ų160.1 Ų60.10%0.00431%0.308CS..Hα-helixtrans-62.3-51.3179.4-154.2-24.9000111.6L417 V418 T419 H423 K424 V425 I454 F457 F461 I465 V481 L484 L485L417-W421 HydrophobicContact CD2-CE3 4.48Å; L417-W421 WeakPolarHBondContact O-CB 3.18Å; L417-W421 PolarHBondContact O-N 3.03Å; V418-W421 WeakPolarHBondContact O-CB 3.28Å; V418-W421 PolarHBondContact O-N 2.7Å; T419-W421 VanDerWaalsContact C-N 3.32Å; T419-W421 PolarHBondContact O-N 2.89Å; W421-H423 PolarHBondContact O-N 3.37Å; W421-K424 WeakPolarHBondContact O-CB 3.18Å; W421-K424 PolarHBondContact O-N 3.44Å; W421-K424 VanDerWaalsContact O-N 3.08Å; W421-V425 WeakPolarHBondContact O-CG2 3.47Å; W421-V425 PolarHBondContact O-N 3.4Å; W421-I454 HydrophobicContact CH2-CG2 4.48Å; W421-I454 HydrophobicContact CZ2-CG2 3.99Å; W421-F457 AromaticContact CD1-CE2 3.92Å; W421-F457 AromaticContact CD1-CZ 3.98Å; W421-F457 AromaticContact NE1-CD2 3.95Å; W421-F457 AromaticContact NE1-CE2 3.26Å; W421-F457 VanDerWaalsContact NE1-CE2 3.26Å; W421-F457 AromaticContact NE1-CZ 3.67Å; W421-F461 HydrophobicContact CB-CE1 4.33Å; W421-F461 HydrophobicContact CB-CZ 3.72Å; W421-F461 HydrophobicContact CD2-CE1 4.16Å; W421-F461 HydrophobicContact CD2-CZ 4.21Å; W421-F461 AromaticContact CG-CE1 3.93Å; W421-F461 HydrophobicContact CG-CE1 3.93Å; W421-F461 AromaticContact CG-CZ 3.81Å; W421-F461 HydrophobicContact CG-CZ 3.81Å; W421-I465 HydrophobicContact CD2-CD1 4.33Å; W421-I465 HydrophobicContact CE3-CD1 4.19Å; W421-I465 HydrophobicContact CE3-CG1 4.23Å; W421-I465 HydrophobicContact CH2-CD1 3.87Å; W421-I465 HydrophobicContact CH2-CG1 4.25Å; W421-I465 HydrophobicContact CH2-CG2 4.11Å; W421-I465 HydrophobicContact CZ2-CD1 4Å; W421-I465 HydrophobicContact CZ3-CD1 3.96Å; W421-I465 HydrophobicContact CZ3-CG1 3.93Å; W421-I465 HydrophobicContact CZ3-CG2 4.15Å; W421-V481 HydrophobicContact CZ3-CG1 4.26Å; W421-L484 HydrophobicContact CB-CD1 4.32Å; W421-L484 HydrophobicContact CD2-CB 4.12Å; W421-L484 HydrophobicContact CD2-CD1 3.96Å; W421-L484 HydrophobicContact CD2-CG 4.46Å; W421-L484 HydrophobicContact CE3-CB 4.34Å; W421-L484 HydrophobicContact CE3-CD1 4.01Å; W421-L484 HydrophobicContact CG-CD1 4.12Å; W421-L484 HydrophobicContact CG-CD2 4.33Å; W421-L484 HydrophobicContact CH2-CB 4.14Å; W421-L484 HydrophobicContact CZ2-CB 3.89Å; W421-L484 HydrophobicContact CZ3-CB 4.36Å; W421-L485 HydrophobicContact CH2-CD2 3.7Å; W421-L485 HydrophobicContact CH2-CG 3.88Å; W421-L485 HydrophobicContact CZ2-CD2 4.45Å
422H87.3Confident80.7Confident35 Ų3561.1 Ų61.116%0.16233%0.329CS..Hα-helixtrans-59-36.3176.9-79.1102.5000112.7V418 R426 E480V418-H422 PolarHBondContact O-N 3.35Å; V418-H422 PolarHBondContact O-ND1 3.48Å; H422-R426 WeakPolarHBondContact O-CG 3.44Å; H422-R426 PolarHBondContact O-N 3.08Å; H422-R426 VanDerWaalsContact O-N 3.14Å; H422-R426 PolarHBondContact O-NE 3.4Å; H422-E480 IonicContact CE1-OE1 3.25Å; H422-E480 PolarHBondContact CE1-OE1 3.08Å; H422-E480 IonicContact ND1-OE1 2.69Å; H422-E480 IonicContact NE2-OE1 2.79Å
423H86Confident78.7Confident106 Ų10662.9 Ų62.949%0.49134%0.338SS..Hα-helixtrans-65.8-44.1174.7-168.276.9000111.6T419 E420 W421 R426 Q427T419-H423 PolarHBondContact O-N 2.76Å; E420-H423 PolarHBondContact O-N 3.46Å; W421-H423 PolarHBondContact O-N 3.37Å; H423-R426 PolarHBondContact O-N 3.3Å; H423-Q427 PolarHBondContact CD2-NE2 3.35Å; H423-Q427 PolarHBondContact NE2-NE2 2.83Å; H423-Q427 WeakPolarHBondContact O-CG 3.11Å; H423-Q427 PolarHBondContact O-N 2.77Å; H423-Q427 VanDerWaalsContact O-N 3.12Å
424K86.5Confident76.5Confident51 Ų5163.2 Ų63.222%0.22236%0.357CS..Hα-helixtrans-63.6-40175-75.6170.2169.6-760113.3E420 W421 Q427 S428 F457 F461E420-K424 HydrophobicContact CG-CD 4.33Å; E420-K424 WeakPolarHBondContact O-CG 3.42Å; E420-K424 PolarHBondContact O-N 3.21Å; E420-K424 WeakPolarHBondContact OE1-CE 3.3Å; W421-K424 WeakPolarHBondContact O-CB 3.18Å; W421-K424 PolarHBondContact O-N 3.44Å; W421-K424 VanDerWaalsContact O-N 3.08Å; K424-Q427 PolarHBondContact O-N 2.96Å; K424-S428 PolarHBondContact O-N 3.36Å; K424-F457 HydrophobicContact CB-CD1 3.69Å; K424-F457 HydrophobicContact CB-CE1 3.85Å; K424-F457 HydrophobicContact CD-CB 4.28Å; K424-F457 HydrophobicContact CD-CD1 4.23Å; K424-F457 HydrophobicContact CD-CG 4.48Å; K424-F457 HydrophobicContact CG-CD1 4.43Å; K424-F457 PolarHBondContact NZ-O 2.99Å; K424-F461 HydrophobicContact CD-CD1 3.93Å; K424-F461 HydrophobicContact CD-CD2 4.06Å; K424-F461 HydrophobicContact CD-CE1 3.83Å; K424-F461 HydrophobicContact CD-CE2 4.02Å; K424-F461 HydrophobicContact CD-CG 4.03Å; K424-F461 HydrophobicContact CD-CZ 3.91Å
425V81Confident74.3Confident26 Ų2668.1 Ų68.116%0.15838%0.383CS..Hα-helixtrans-61.1-50.9176.4169.80000110.3W421 Q427 S428 Q429 F457 L484W421-V425 WeakPolarHBondContact O-CG2 3.47Å; W421-V425 PolarHBondContact O-N 3.4Å; V425-Q427 VanDerWaalsContact C-N 3.29Å; V425-Q427 PolarHBondContact O-N 2.86Å; V425-S428 PolarHBondContact O-N 2.89Å; V425-S428 PolarHBondContact O-OG 3.46Å; V425-Q429 PolarHBondContact O-N 3.3Å; V425-F457 HydrophobicContact CG2-CE1 4.23Å; V425-F457 HydrophobicContact CG2-CZ 3.76Å; V425-L484 HydrophobicContact CG2-CD2 4.27Å
426R80Confident72.1Confident143 Ų14372.5 Ų72.554%0.5441%0.412SS..Hα-helixtrans-58-39.5177.1-73.8-176-71.1-100.80.7112.8H422 H423 A430H422-R426 WeakPolarHBondContact O-CG 3.44Å; H422-R426 PolarHBondContact O-N 3.08Å; H422-R426 VanDerWaalsContact O-N 3.14Å; H422-R426 PolarHBondContact O-NE 3.4Å; H423-R426 PolarHBondContact O-N 3.3Å; R426-A430 WeakPolarHBondContact O-CB 3.38Å; R426-A430 PolarHBondContact O-N 3.15Å
427Q78.9Confident69.9Low98 Ų9869.6 Ų69.646%0.45840%0.403SS..Hα-helixtrans-63.7-43173.3-71.6-1805.200112.6H423 K424 V425 Q429 A430 N431H423-Q427 PolarHBondContact CD2-NE2 3.35Å; H423-Q427 PolarHBondContact NE2-NE2 2.83Å; H423-Q427 WeakPolarHBondContact O-CG 3.11Å; H423-Q427 PolarHBondContact O-N 2.77Å; H423-Q427 VanDerWaalsContact O-N 3.12Å; K424-Q427 PolarHBondContact O-N 2.96Å; V425-Q427 VanDerWaalsContact C-N 3.29Å; V425-Q427 PolarHBondContact O-N 2.86Å; Q427-Q429 PolarHBondContact O-N 3.42Å; Q427-A430 PolarHBondContact O-N 2.91Å; Q427-N431 VanDerWaalsContact O-CG 3.31Å; Q427-N431 PolarHBondContact O-N 2.96Å; Q427-N431 VanDerWaalsContact O-N 3.12Å; Q427-N431 PolarHBondContact O-ND2 3.45Å
428S72.1Confident67.6Low28 Ų2875.2 Ų75.220%0.19643%0.433CS..Hα-helixtrans-64.6-39.318066.90000112.9K424 V425 N431K424-S428 PolarHBondContact O-N 3.36Å; V425-S428 PolarHBondContact O-N 2.89Å; V425-S428 PolarHBondContact O-OG 3.46Å; S428-N431 PolarHBondContact O-N 2.64Å
429Q67.3Low65.2Low103 Ų10380.7 Ų80.748%0.48147%0.472SS..Hα-helixtrans-66.5-45174.7-69.9172.9-3300111.7V425 Q427 N431 G432V425-Q429 PolarHBondContact O-N 3.3Å; Q427-Q429 PolarHBondContact O-N 3.42Å; Q429-N431 PolarHBondContact O-N 3.09Å; Q429-G432 PolarHBondContact O-N 2.96Å; Q429-G432 VanDerWaalsContact O-N 3.1Å
430A57.6Low63.5Low84 Ų8483 Ų8369%0.69448%0.481SS*.Hα-helixtrans-61.3-29.9177.900000113.3R426 Q427 G432R426-A430 WeakPolarHBondContact O-CB 3.38Å; R426-A430 PolarHBondContact O-N 3.15Å; Q427-A430 PolarHBondContact O-N 2.91Å; A430-G432 VanDerWaalsContact C-N 3.29Å; A430-G432 PolarHBondContact O-N 3.09Å
431N56.9Low62.4Low118 Ų11884 Ų8463%0.63148%0.482SS*.THydrogen-bonded Turntrans-83.54.5178.3-69.8-18.1000114Q427 S428 Q429 L433Q427-N431 VanDerWaalsContact O-CG 3.31Å; Q427-N431 PolarHBondContact O-N 2.96Å; Q427-N431 VanDerWaalsContact O-N 3.12Å; Q427-N431 PolarHBondContact O-ND2 3.45Å; S428-N431 PolarHBondContact O-N 2.64Å; Q429-N431 PolarHBondContact O-N 3.09Å; N431-L433 HydrophobicContact CB-CD1 4.3Å; N431-L433 PolarHBondContact O-N 3.4Å; N431-L433 VanDerWaalsContact O-N 3.13Å
432G44.5Very low61.5Low66 Ų6689.6 Ų89.668%0.6851%0.511SS*.THydrogen-bonded Turntrans67.410.5177.600000115.1Q429 A430 G434Q429-G432 PolarHBondContact O-N 2.96Å; Q429-G432 VanDerWaalsContact O-N 3.1Å; A430-G432 VanDerWaalsContact C-N 3.29Å; A430-G432 PolarHBondContact O-N 3.09Å; G432-G434 PolarHBondContact O-N 3.45Å
433L44.4Very low60.8Low132 Ų13293.2 Ų93.269%0.69153%0.528SS*.  trans-80.465.1178.6-79.3159.5000110.5N431 L435N431-L433 HydrophobicContact CB-CD1 4.3Å; N431-L433 PolarHBondContact O-N 3.4Å; N431-L433 VanDerWaalsContact O-N 3.13Å; L433-L435 PolarHBondContact O-N 2.98Å
434G42.6Very low60.4Low64 Ų6490.4 Ų90.466%0.6652%0.516SS*.  trans-60.1133.2170.700000111.1G432 S436G432-G434 PolarHBondContact O-N 3.45Å; G434-S436 PolarHBondContact O-N 3.02Å
435L47.2Very low60.2Low102 Ų10288.8 Ų88.853%0.53451%0.51SS..  trans-7172.1178.9-79.9151.6000111.5L433 T437L433-L435 PolarHBondContact O-N 2.98Å; L435-T437 PolarHBondContact O-N 3.27Å
436S38.9Very low60.5Low104 Ų10489.2 Ų89.273%0.72751%0.51SS*.  trans-76.387.2172.5175.20000110.6G434G434-S436 PolarHBondContact O-N 3.02Å
437T44.7Very low60.8Low67 Ų6782.6 Ų82.641%0.41149%0.486SS..  trans-86.3-1.4-17551.10000115L435 S439 L440L435-T437 PolarHBondContact O-N 3.27Å; T437-S439 VanDerWaalsContact C-N 3.31Å; T437-S439 PolarHBondContact O-N 2.99Å; T437-S439 VanDerWaalsContact O-N 3.13Å; T437-L440 PolarHBondContact O-N 2.73Å
438N43.1Very low61.1Low121 Ų12177.9 Ų77.965%0.64746%0.464SS*.THydrogen-bonded Turntrans-61.2-27.5-167.2-75.3-20.5000115.9
439S40.6Very low61.8Low121 Ų12178 Ų7885%0.84646%0.464SS*.THydrogen-bonded Turntrans-83.9-14.7-172.3-158.80000115.4T437T437-S439 VanDerWaalsContact C-N 3.31Å; T437-S439 PolarHBondContact O-N 2.99Å; T437-S439 VanDerWaalsContact O-N 3.13Å
440L53.2Low62.3Low110 Ų11073.5 Ų73.558%0.57644%0.444SS*.SBendtrans-117.48.8-176.6-70.9171.4000113.7T437 I442 E443 L444T437-L440 PolarHBondContact O-N 2.73Å; L440-I442 PolarHBondContact O-N 3.42Å; L440-E443 PolarHBondContact O-N 3.16Å; L440-L444 HydrophobicContact CB-CD1 3.98Å; L440-L444 HydrophobicContact CB-CG 4.44Å; L440-L444 WeakPolarHBondContact O-CG 3.48Å; L440-L444 PolarHBondContact O-N 2.7Å
441R67Low63.1Low85 Ų8570.3 Ų70.332%0.32142%0.42SS..Hα-helixtrans-58.3-43.6-165.7-159.1171.6-177.2171.5-3.6113.2L444 L445 N581R441-L444 PolarHBondContact O-N 3.34Å; R441-L445 HydrophobicContact CG-CD1 3.99Å; R441-L445 HydrophobicContact CG-CG 4.39Å; R441-L445 WeakPolarHBondContact O-CB 3.4Å; R441-L445 WeakPolarHBondContact O-CG 3.39Å; R441-L445 PolarHBondContact O-N 3.34Å; R441-N581 PolarHBondContact NH2-O 2.79Å
442I72Confident63.6Low117 Ų11765.8 Ų65.860%0.640%0.397SS*.Hα-helixtrans-65.8-47.1-175.9-61.3176.9000112.4L440 L444 L445 H446L440-I442 PolarHBondContact O-N 3.42Å; I442-L444 VanDerWaalsContact C-N 3.31Å; I442-L444 PolarHBondContact O-N 3.05Å; I442-L445 PolarHBondContact O-N 3.1Å; I442-H446 WeakPolarHBondContact CG2-CE1 3.4Å; I442-H446 VanDerWaalsContact O-CG 3.28Å; I442-H446 PolarHBondContact O-N 3.48Å
443E72.5Confident64.9Low111 Ų11166.5 Ų66.552%0.51938%0.382SS..Hα-helixtrans-66.8-35.7-179.7-65.7-158.5145.700112.2L440 S447 Q720L440-E443 PolarHBondContact O-N 3.16Å; E443-S447 VanDerWaalsContact O-CB 3.28Å; E443-S447 WeakPolarHBondContact O-CB 3.4Å; E443-S447 PolarHBondContact O-N 3.27Å; E443-Q720 PolarHBondContact O-NE2 3.43Å
444L77.8Confident66.6Low48 Ų4860.6 Ų60.625%0.25135%0.351SS..Hα-helixtrans-65.9-43.3173.6-69.9171.4000111.4L440 R441 I442 S447 G448 S450 H453L440-L444 HydrophobicContact CB-CD1 3.98Å; L440-L444 HydrophobicContact CB-CG 4.44Å; L440-L444 WeakPolarHBondContact O-CG 3.48Å; L440-L444 PolarHBondContact O-N 2.7Å; R441-L444 PolarHBondContact O-N 3.34Å; I442-L444 VanDerWaalsContact C-N 3.31Å; I442-L444 PolarHBondContact O-N 3.05Å; L444-S447 PolarHBondContact O-N 3Å; L444-S447 PolarHBondContact O-OG 2.72Å; L444-G448 PolarHBondContact O-N 3.35Å; L444-S450 PolarHBondContact O-OG 3.31Å; L444-H453 WeakPolarHBondContact CD2-NE2 3.44Å
445L82.3Confident68.2Low16 Ų1661.1 Ų61.18%0.08434%0.344CS..Hα-helixtrans-60.9-47.2174.4-74.5169.8000111.3R441 I442 S447 G448 S450 E587 R599R441-L445 HydrophobicContact CG-CD1 3.99Å; R441-L445 HydrophobicContact CG-CG 4.39Å; R441-L445 WeakPolarHBondContact O-CB 3.4Å; R441-L445 WeakPolarHBondContact O-CG 3.39Å; R441-L445 PolarHBondContact O-N 3.34Å; I442-L445 PolarHBondContact O-N 3.1Å; L445-S447 VanDerWaalsContact C-N 3.28Å; L445-S447 PolarHBondContact O-N 3.42Å; L445-G448 PolarHBondContact O-N 2.87Å; L445-S450 WeakPolarHBondContact CA-OG 3.24Å; L445-S450 PolarHBondContact N-OG 2.8Å; L445-S450 VanDerWaalsContact N-OG 3.14Å; L445-E587 HydrophobicContact CD1-CG 4.21Å; L445-E587 HydrophobicContact CD2-CG 4.09Å; L445-R599 VanDerWaalsContact O-CZ 3.32Å; L445-R599 PolarHBondContact O-NH1 3Å; L445-R599 PolarHBondContact O-NH2 3.49Å
446H86.9Confident69.7Low35 Ų3560.5 Ų60.516%0.16234%0.339CS..Hα-helixtrans-64.3-33.4178.1-67170000112.7I442 G448 Q602 L719 Q720 A723 I727I442-H446 WeakPolarHBondContact CG2-CE1 3.4Å; I442-H446 VanDerWaalsContact O-CG 3.28Å; I442-H446 PolarHBondContact O-N 3.48Å; H446-G448 VanDerWaalsContact C-N 3.27Å; H446-G448 PolarHBondContact O-N 2.87Å; H446-Q602 PolarHBondContact O-NE2 3.31Å; H446-Q602 VanDerWaalsContact O-NE2 3.11Å; H446-L719 CarbonylContact O-C 3.56Å; H446-Q720 HydrophobicContact CB-CG 4.32Å; H446-A723 HydrophobicContact CB-CB 3.79Å; H446-I727 VanDerWaalsContact CE1-CD1 3.4Å; H446-I727 WeakPolarHBondContact CE1-CD1 3.36Å
447S87.2Confident71.8Confident4 Ų456.7 Ų56.73%0.02831%0.309CS..Hα-helixtrans-70.6-18177.984.30000114.8E443 L444 L445 C449 S716 L719E443-S447 VanDerWaalsContact O-CB 3.28Å; E443-S447 WeakPolarHBondContact O-CB 3.4Å; E443-S447 PolarHBondContact O-N 3.27Å; L444-S447 PolarHBondContact O-N 3Å; L444-S447 PolarHBondContact O-OG 2.72Å; L445-S447 VanDerWaalsContact C-N 3.28Å; L445-S447 PolarHBondContact O-N 3.42Å; S447-C449 PolarHBondContact O-N 2.76Å; S447-C449 WeakPolarHBondContact OG-CB 3.37Å; S447-C449 PolarHBondContact OG-N 3.5Å; S447-S716 WeakPolarHBondContact O-CA 3.45Å; S447-S716 WeakPolarHBondContact O-CB 3.37Å; S447-L719 VanDerWaalsContact O-CD1 3.31Å; S447-L719 WeakPolarHBondContact O-CD1 3.42Å
448G85.3Confident73.7Confident0 Ų055 Ų550%031%0.306CS..SBendtrans72.1-7.8-17100000114.4L444 L445 H446 S450 G657 L658 I659L444-G448 PolarHBondContact O-N 3.35Å; L445-G448 PolarHBondContact O-N 2.87Å; H446-G448 VanDerWaalsContact C-N 3.27Å; H446-G448 PolarHBondContact O-N 2.87Å; G448-S450 PolarHBondContact O-N 3.22Å; G448-G657 CarbonylContact O-C 3.59Å; G448-G657 VanDerWaalsContact O-C 3.31Å; G448-G657 WeakPolarHBondContact O-CA 3.4Å; G448-L658 CarbonylContact O-C 3.55Å; G448-L658 WeakPolarHBondContact O-CA 3.18Å; G448-L658 PolarHBondContact O-N 3.27Å; G448-I659 PolarHBondContact O-N 3.32Å
449C85.2Confident75.7Confident31 Ų3153.1 Ų53.121%0.20930%0.302CS..  trans-86.631177.5-62.20000113S447 H453 E656S447-C449 PolarHBondContact O-N 2.76Å; S447-C449 WeakPolarHBondContact OG-CB 3.37Å; S447-C449 PolarHBondContact OG-N 3.5Å; C449-H453 PolarHBondContact O-CE1 3.33Å; C449-E656 WeakPolarHBondContact CA-O 3.5Å
450S78.5Confident78Confident7 Ų750.6 Ų50.65%0.04929%0.288CS..  trans-74145.5177.7-65.30000111.8L444 L445 G448 N582 Y583 G657L444-S450 PolarHBondContact O-OG 3.31Å; L445-S450 WeakPolarHBondContact CA-OG 3.24Å; L445-S450 PolarHBondContact N-OG 2.8Å; L445-S450 VanDerWaalsContact N-OG 3.14Å; G448-S450 PolarHBondContact O-N 3.22Å; S450-N582 CarbonylContact C-O 3.56Å; S450-N582 WeakPolarHBondContact CB-O 3.28Å; S450-Y583 VanDerWaalsContact O-CD1 3.28Å; S450-Y583 WeakPolarHBondContact O-CD1 3.46Å; S450-G657 WeakPolarHBondContact O-CA 3.38Å
451G74.7Confident79.8Confident18 Ų1845.6 Ų45.619%0.18626%0.261CS..SBendtrans139.7174-175.900000110.3H453 N582G451-H453 PolarHBondContact O-N 2.89Å; G451-H453 VanDerWaalsContact O-N 3.09Å; G451-N582 WeakPolarHBondContact CA-O 3.5Å; G451-N582 PolarHBondContact N-O 3.22Å
452P68.2Low80.8Confident23 Ų2341.7 Ų41.715%0.14925%0.248CC..  trans-69.1107.8172.2-2.617.3000108.9I454 L485 S486 Y583P452-I454 PolarHBondContact O-N 2.97Å; P452-L485 WeakPolarHBondContact CG-O 2.96Å; P452-S486 WeakPolarHBondContact CG-O 3.21Å; P452-Y583 WeakPolarHBondContact CD-OH 3.16Å
453H70.6Confident81.7Confident80 Ų8042 Ų4237%0.3725%0.246SC..  trans-66.9107.7-178.9-79.3-43.3000111.4L444 C449 G451 S455 H456L444-H453 WeakPolarHBondContact CD2-NE2 3.44Å; C449-H453 PolarHBondContact O-CE1 3.33Å; G451-H453 PolarHBondContact O-N 2.89Å; G451-H453 VanDerWaalsContact O-N 3.09Å; H453-S455 WeakPolarHBondContact CB-OG 3.44Å; H453-S455 PolarHBondContact O-N 3.15Å; H453-H456 PolarHBondContact O-ND1 3.25Å
454I80.5Confident82.7Confident9 Ų941.9 Ų41.95%0.04624%0.241CC..G310 helixtrans-54.6-14.7170.858.9173.5000114W421 P452 H456 F457 C462 I465 T655W421-I454 HydrophobicContact CH2-CG2 4.48Å; W421-I454 HydrophobicContact CZ2-CG2 3.99Å; P452-I454 PolarHBondContact O-N 2.97Å; I454-H456 PolarHBondContact O-N 2.99Å; I454-H456 VanDerWaalsContact O-N 3.08Å; I454-F457 HydrophobicContact CB-CD2 4.4Å; I454-F457 WeakPolarHBondContact O-CB 3.3Å; I454-F457 WeakPolarHBondContact O-CD2 3.32Å; I454-F457 PolarHBondContact O-N 3.43Å; I454-C462 HydrophobicContact CD1-CB 4.1Å; I454-C462 HydrophobicContact CG1-CB 4.26Å; I454-C462 PolarHBondContact O-SG 3.06Å; I454-I465 HydrophobicContact CB-CD1 4.25Å; I454-I465 HydrophobicContact CD1-CB 4.12Å; I454-I465 HydrophobicContact CD1-CD1 4.03Å; I454-I465 HydrophobicContact CD1-CG2 3.95Å; I454-I465 HydrophobicContact CG2-CD1 4.29Å; I454-T655 HydrophobicContact CD1-CG2 4.43Å
455S76.4Confident83.4Confident74 Ų7439.6 Ų39.652%0.51723%0.229SC..G310 helixtrans-51-32.3-179.260.50000114.4H453 F457 G458 C462H453-S455 WeakPolarHBondContact CB-OG 3.44Å; H453-S455 PolarHBondContact O-N 3.15Å; S455-F457 PolarHBondContact O-N 2.83Å; S455-G458 PolarHBondContact O-N 3.15Å; S455-C462 WeakPolarHBondContact CA-SG 3.34Å
456H78Confident83.9Confident89 Ų8944.6 Ų44.641%0.41225%0.247SC..G310 helixtrans-63.6-21.717971-85.8000113.6H453 I454 G458H453-H456 PolarHBondContact O-ND1 3.25Å; I454-H456 PolarHBondContact O-N 2.99Å; I454-H456 VanDerWaalsContact O-N 3.08Å; H456-G458 PolarHBondContact O-N 2.8Å
457F82.7Confident84.2Confident24 Ų2449.3 Ų49.311%0.10527%0.267CS..G310 helixtrans-78.7-4.3174.4-63.6-55.9000114.6W421 K424 V425 I454 S455 F461W421-F457 AromaticContact CD1-CE2 3.92Å; W421-F457 AromaticContact CD1-CZ 3.98Å; W421-F457 AromaticContact NE1-CD2 3.95Å; W421-F457 AromaticContact NE1-CE2 3.26Å; W421-F457 VanDerWaalsContact NE1-CE2 3.26Å; W421-F457 AromaticContact NE1-CZ 3.67Å; K424-F457 HydrophobicContact CB-CD1 3.69Å; K424-F457 HydrophobicContact CB-CE1 3.85Å; K424-F457 HydrophobicContact CD-CB 4.28Å; K424-F457 HydrophobicContact CD-CD1 4.23Å; K424-F457 HydrophobicContact CD-CG 4.48Å; K424-F457 HydrophobicContact CG-CD1 4.43Å; K424-F457 PolarHBondContact NZ-O 2.99Å; V425-F457 HydrophobicContact CG2-CE1 4.23Å; V425-F457 HydrophobicContact CG2-CZ 3.76Å; I454-F457 HydrophobicContact CB-CD2 4.4Å; I454-F457 WeakPolarHBondContact O-CB 3.3Å; I454-F457 WeakPolarHBondContact O-CD2 3.32Å; I454-F457 PolarHBondContact O-N 3.43Å; S455-F457 PolarHBondContact O-N 2.83Å; F457-F461 HydrophobicContact CB-CB 4.44Å; F457-F461 HydrophobicContact CB-CD1 3.46Å; F457-F461 VanDerWaalsContact CB-CD1 3.46Å; F457-F461 HydrophobicContact CB-CE1 4.1Å; F457-F461 HydrophobicContact CB-CG 4.3Å; F457-F461 HydrophobicContact CD2-CD1 4.28Å; F457-F461 HydrophobicContact CD2-CE1 4.23Å; F457-F461 HydrophobicContact CG-CD1 4.07Å; F457-F461 HydrophobicContact CG-CE1 4.21Å
458G84.3Confident84.5Confident33 Ų3349.6 Ų49.634%0.3427%0.268SS..  trans99.614217900000113.8S455 H456 A460 F461 C462S455-G458 PolarHBondContact O-N 3.15Å; H456-G458 PolarHBondContact O-N 2.8Å; G458-A460 PolarHBondContact O-N 3.38Å; G458-F461 WeakPolarHBondContact O-CB 3.44Å; G458-F461 PolarHBondContact O-N 3.44Å; G458-C462 PolarHBondContact O-N 2.95Å; G458-C462 VanDerWaalsContact O-N 3.09Å; G458-C462 PolarHBondContact O-SG 3.28Å
459S86.1Confident84.9Confident81 Ų8149.6 Ų49.657%0.56627%0.268SS*.Hα-helixtrans-51.8-45.8-172.6-175.10000114.1F461 C462 Q463S459-F461 VanDerWaalsContact C-N 3.33Å; S459-F461 PolarHBondContact O-N 3.2Å; S459-C462 WeakPolarHBondContact O-CB 3.15Å; S459-C462 PolarHBondContact O-N 3.16Å; S459-Q463 WeakPolarHBondContact O-CG 3.44Å; S459-Q463 PolarHBondContact O-N 3.2Å
460A89.3Confident85.2Confident67 Ų6750.2 Ų50.255%0.55427%0.273SS*.Hα-helixtrans-64.9-33.1179.900000113.5G458 R464G458-A460 PolarHBondContact O-N 3.38Å; A460-R464 PolarHBondContact O-N 3.03Å
461F90.7Very high85.8Confident5 Ų554.4 Ų54.42%0.02229%0.287CS..Hα-helixtrans-71.1-42.8174-170.8-110.4000110.7L417 E420 W421 K424 F457 G458 S459 Q463 R464 I465L417-F461 HydrophobicContact CD1-CD2 4.33Å; L417-F461 HydrophobicContact CD1-CE2 3.81Å; L417-F461 HydrophobicContact CD1-CZ 4.34Å; L417-F461 HydrophobicContact CG-CE2 4.36Å; E420-F461 HydrophobicContact CB-CE2 4.08Å; E420-F461 HydrophobicContact CG-CD2 4.45Å; E420-F461 HydrophobicContact CG-CE2 3.92Å; E420-F461 VanDerWaalsContact OE1-CD2 3.26Å; E420-F461 WeakPolarHBondContact OE1-CD2 3.42Å; W421-F461 HydrophobicContact CB-CE1 4.33Å; W421-F461 HydrophobicContact CB-CZ 3.72Å; W421-F461 HydrophobicContact CD2-CE1 4.16Å; W421-F461 HydrophobicContact CD2-CZ 4.21Å; W421-F461 AromaticContact CG-CE1 3.93Å; W421-F461 HydrophobicContact CG-CE1 3.93Å; W421-F461 AromaticContact CG-CZ 3.81Å; W421-F461 HydrophobicContact CG-CZ 3.81Å; K424-F461 HydrophobicContact CD-CD1 3.93Å; K424-F461 HydrophobicContact CD-CD2 4.06Å; K424-F461 HydrophobicContact CD-CE1 3.83Å; K424-F461 HydrophobicContact CD-CE2 4.02Å; K424-F461 HydrophobicContact CD-CG 4.03Å; K424-F461 HydrophobicContact CD-CZ 3.91Å; F457-F461 HydrophobicContact CB-CB 4.44Å; F457-F461 HydrophobicContact CB-CD1 3.46Å; F457-F461 VanDerWaalsContact CB-CD1 3.46Å; F457-F461 HydrophobicContact CB-CE1 4.1Å; F457-F461 HydrophobicContact CB-CG 4.3Å; F457-F461 HydrophobicContact CD2-CD1 4.28Å; F457-F461 HydrophobicContact CD2-CE1 4.23Å; F457-F461 HydrophobicContact CG-CD1 4.07Å; F457-F461 HydrophobicContact CG-CE1 4.21Å; G458-F461 WeakPolarHBondContact O-CB 3.44Å; G458-F461 PolarHBondContact O-N 3.44Å; S459-F461 VanDerWaalsContact C-N 3.33Å; S459-F461 PolarHBondContact O-N 3.2Å; F461-Q463 VanDerWaalsContact C-N 3.32Å; F461-Q463 PolarHBondContact O-N 2.88Å; F461-R464 PolarHBondContact O-N 3.39Å; F461-R464 VanDerWaalsContact O-N 3.15Å; F461-I465 HydrophobicContact CD1-CD1 3.6Å; F461-I465 HydrophobicContact CD1-CG1 4.35Å; F461-I465 HydrophobicContact CE1-CD1 3.47Å; F461-I465 VanDerWaalsContact CE1-CD1 3.47Å; F461-I465 HydrophobicContact CE1-CG1 4.18Å; F461-I465 HydrophobicContact CG-CD1 4.5Å; F461-I465 HydrophobicContact CZ-CD1 4.23Å; F461-I465 PolarHBondContact O-N 3.37Å
462C88.8Confident86.5Confident4 Ų454 Ų543%0.02728%0.283CS..Hα-helixtrans-60.7-39.9176.4-56.70000112.9I454 S455 G458 S459 I465 R466I454-C462 HydrophobicContact CD1-CB 4.1Å; I454-C462 HydrophobicContact CG1-CB 4.26Å; I454-C462 PolarHBondContact O-SG 3.06Å; S455-C462 WeakPolarHBondContact CA-SG 3.34Å; G458-C462 PolarHBondContact O-N 2.95Å; G458-C462 VanDerWaalsContact O-N 3.09Å; G458-C462 PolarHBondContact O-SG 3.28Å; S459-C462 WeakPolarHBondContact O-CB 3.15Å; S459-C462 PolarHBondContact O-N 3.16Å; C462-I465 PolarHBondContact O-N 3.08Å; C462-R466 WeakPolarHBondContact O-CB 3.36Å; C462-R466 WeakPolarHBondContact O-CG 3.49Å; C462-R466 PolarHBondContact O-N 2.78Å
463Q90.4Very high87.7Confident122 Ų12253 Ų5357%0.5728%0.276SS*.Hα-helixtrans-64.8-39.5175.9-73.1174.72.400111.6S459 F461 K467S459-Q463 WeakPolarHBondContact O-CG 3.44Å; S459-Q463 PolarHBondContact O-N 3.2Å; F461-Q463 VanDerWaalsContact C-N 3.32Å; F461-Q463 PolarHBondContact O-N 2.88Å; Q463-K467 VanDerWaalsContact O-CB 3.29Å; Q463-K467 WeakPolarHBondContact O-CB 3.47Å; Q463-K467 PolarHBondContact O-N 3.22Å
464R93.2Very high88.6Confident109 Ų10950.1 Ų50.141%0.41127%0.265SS..Hα-helixtrans-64.4-45.7173.3-74.4-170.3-73.2152-2.9112.2L417 E420 A460 F461 K467 L468L417-R464 HydrophobicContact CD1-CB 3.86Å; E420-R464 IonicContact OE1-CZ 3.14Å; E420-R464 IonicContact OE1-NH2 3.17Å; E420-R464 PolarHBondContact OE1-NH2 3.1Å; E420-R464 IonicContact OE2-CZ 2.87Å; E420-R464 IonicContact OE2-NH1 2.77Å; E420-R464 PolarHBondContact OE2-NH1 3.35Å; E420-R464 IonicContact OE2-NH2 2.84Å; E420-R464 PolarHBondContact OE2-NH2 3.17Å; A460-R464 PolarHBondContact O-N 3.03Å; F461-R464 PolarHBondContact O-N 3.39Å; F461-R464 VanDerWaalsContact O-N 3.15Å; R464-K467 PolarHBondContact O-N 3.09Å; R464-L468 PolarHBondContact O-N 2.67Å
465I92.8Very high88.9Confident0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-54.7-58.8173-66.9163.1000109.9L417 W421 I454 F461 C462 K467 L468 V469 L485 T655L417-I465 HydrophobicContact CD1-CG1 4.36Å; L417-I465 HydrophobicContact CD2-CG1 3.95Å; W421-I465 HydrophobicContact CD2-CD1 4.33Å; W421-I465 HydrophobicContact CE3-CD1 4.19Å; W421-I465 HydrophobicContact CE3-CG1 4.23Å; W421-I465 HydrophobicContact CH2-CD1 3.87Å; W421-I465 HydrophobicContact CH2-CG1 4.25Å; W421-I465 HydrophobicContact CH2-CG2 4.11Å; W421-I465 HydrophobicContact CZ2-CD1 4Å; W421-I465 HydrophobicContact CZ3-CD1 3.96Å; W421-I465 HydrophobicContact CZ3-CG1 3.93Å; W421-I465 HydrophobicContact CZ3-CG2 4.15Å; I454-I465 HydrophobicContact CB-CD1 4.25Å; I454-I465 HydrophobicContact CD1-CB 4.12Å; I454-I465 HydrophobicContact CD1-CD1 4.03Å; I454-I465 HydrophobicContact CD1-CG2 3.95Å; I454-I465 HydrophobicContact CG2-CD1 4.29Å; F461-I465 HydrophobicContact CD1-CD1 3.6Å; F461-I465 HydrophobicContact CD1-CG1 4.35Å; F461-I465 HydrophobicContact CE1-CD1 3.47Å; F461-I465 VanDerWaalsContact CE1-CD1 3.47Å; F461-I465 HydrophobicContact CE1-CG1 4.18Å; F461-I465 HydrophobicContact CG-CD1 4.5Å; F461-I465 HydrophobicContact CZ-CD1 4.23Å; F461-I465 PolarHBondContact O-N 3.37Å; C462-I465 PolarHBondContact O-N 3.08Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 2.95Å; I465-L468 PolarHBondContact O-N 3.36Å; I465-V469 HydrophobicContact CG2-CG2 3.88Å; I465-V469 VanDerWaalsContact O-CG2 3.29Å; I465-V469 WeakPolarHBondContact O-CG2 3.33Å; I465-V469 PolarHBondContact O-N 3.26Å; I465-L485 HydrophobicContact CG2-CD2 4.41Å; I465-T655 HydrophobicContact CG2-CG2 4.44Å
466R92.1Very high89.3Confident122 Ų12249.7 Ų49.746%0.4626%0.263SS..Hα-helixtrans-57.5-40.9-177.1-72.3177-175157.11.4112.9C462 S470 T655C462-R466 WeakPolarHBondContact O-CB 3.36Å; C462-R466 WeakPolarHBondContact O-CG 3.49Å; C462-R466 PolarHBondContact O-N 2.78Å; R466-S470 VanDerWaalsContact O-CB 3.32Å; R466-S470 WeakPolarHBondContact O-CB 3.46Å; R466-S470 PolarHBondContact O-N 3.07Å; R466-S470 PolarHBondContact O-OG 2.57Å; R466-T655 HydrophobicContact CG-CG2 3.94Å
467K93Very high89.9Confident133 Ų13345.8 Ų45.858%0.57825%0.245SC*.Hα-helixtrans-60.1-46.2175.9-174.7-171.8176.6-164.20111.4Q463 R464 I465 S470 R471Q463-K467 VanDerWaalsContact O-CB 3.29Å; Q463-K467 WeakPolarHBondContact O-CB 3.47Å; Q463-K467 PolarHBondContact O-N 3.22Å; R464-K467 PolarHBondContact O-N 3.09Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 2.95Å; K467-S470 PolarHBondContact O-N 3.46Å; K467-S470 PolarHBondContact O-OG 2.98Å; K467-R471 PolarHBondContact O-N 2.77Å
468L93.7Very high90.4Very high11 Ų1145.5 Ų45.56%0.05824%0.243CC..Hα-helixtrans-71.9-42-179.4-75.3166.9000112.5L410 E413 W414 L417 R464 I465 S470 R471L410-L468 HydrophobicContact CD1-CD2 3.68Å; E413-L468 HydrophobicContact CB-CD1 4.32Å; E413-L468 HydrophobicContact CB-CD2 3.76Å; E413-L468 WeakPolarHBondContact OE2-CD2 3.5Å; W414-L468 HydrophobicContact CD2-CB 4.28Å; W414-L468 HydrophobicContact CH2-CB 4.08Å; W414-L468 VanDerWaalsContact CZ2-C 3.48Å; W414-L468 HydrophobicContact CZ2-CB 3.6Å; L417-L468 HydrophobicContact CB-CD1 4.15Å; L417-L468 HydrophobicContact CD1-CD1 4.33Å; L417-L468 HydrophobicContact CD2-CD1 3.83Å; L417-L468 HydrophobicContact CG-CD1 4.32Å; R464-L468 PolarHBondContact O-N 2.67Å; I465-L468 PolarHBondContact O-N 3.36Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.16Å; L468-R471 WeakPolarHBondContact O-CB 3.42Å; L468-R471 PolarHBondContact O-N 2.98Å; L468-R471 VanDerWaalsContact O-N 3.08Å
469V93.6Very high90.7Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-57.8-41.6172.7176.70000110.9W414 I465 R471 G472 I473 H648 D651 L652 T655W414-V469 HydrophobicContact CH2-CG2 3.74Å; W414-V469 HydrophobicContact CZ2-CG2 4.24Å; I465-V469 HydrophobicContact CG2-CG2 3.88Å; I465-V469 VanDerWaalsContact O-CG2 3.29Å; I465-V469 WeakPolarHBondContact O-CG2 3.33Å; I465-V469 PolarHBondContact O-N 3.26Å; V469-R471 PolarHBondContact O-N 3.11Å; V469-G472 WeakPolarHBondContact O-CA 3.38Å; V469-G472 PolarHBondContact O-N 3.15Å; V469-I473 HydrophobicContact CG2-CD1 4.48Å; V469-H648 PolarHBondContact O-NE2 3.41Å; V469-D651 HydrophobicContact CG1-CB 4.03Å; V469-D651 WeakPolarHBondContact CG1-O 3.27Å; V469-L652 HydrophobicContact CB-CD2 4.47Å; V469-L652 HydrophobicContact CG1-CD2 3.59Å; V469-L652 HydrophobicContact CG1-CG 3.93Å; V469-T655 HydrophobicContact CG1-CG2 4.45Å; V469-T655 WeakPolarHBondContact CG1-OG1 3.23Å; V469-T655 HydrophobicContact CG2-CG2 4.36Å
470S92.5Very high90.9Very high43 Ų4342.7 Ų42.730%0.30122%0.216SC..THydrogen-bonded Turntrans-67.4-12.4178.170.60000115.3R466 K467 L468R466-S470 VanDerWaalsContact O-CB 3.32Å; R466-S470 WeakPolarHBondContact O-CB 3.46Å; R466-S470 PolarHBondContact O-N 3.07Å; R466-S470 PolarHBondContact O-OG 2.57Å; K467-S470 PolarHBondContact O-N 3.46Å; K467-S470 PolarHBondContact O-OG 2.98Å; L468-S470 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.16Å
471R90.9Very high91.1Very high96 Ų9639.5 Ų39.536%0.36219%0.19SC..THydrogen-bonded Turntrans-89.6-5.1168.8-69.6175.166-175.41.5112.5D407 L410 E413 K467 L468 V469D407-R471 IonicContact OD2-CZ 3.61Å; D407-R471 IonicContact OD2-NH2 2.75Å; D407-R471 PolarHBondContact OD2-NH2 3.29Å; L410-R471 HydrophobicContact CD1-CB 4.13Å; E413-R471 IonicContact OE1-NH1 2.7Å; E413-R471 IonicContact OE2-NH1 3.21Å; E413-R471 PolarHBondContact OE2-NH1 3.24Å; K467-R471 PolarHBondContact O-N 2.77Å; L468-R471 WeakPolarHBondContact O-CB 3.42Å; L468-R471 PolarHBondContact O-N 2.98Å; L468-R471 VanDerWaalsContact O-N 3.08Å; V469-R471 PolarHBondContact O-N 3.11Å
472G89.7Confident91.3Very high9 Ų939.3 Ų39.39%0.09319%0.189CC..  trans90.5139-169.900000112.2V469 H648V469-G472 WeakPolarHBondContact O-CA 3.38Å; V469-G472 PolarHBondContact O-N 3.15Å; G472-H648 VanDerWaalsContact CA-CE1 3.4Å; G472-H648 WeakPolarHBondContact CA-CE1 3.34Å; G472-H648 PolarHBondContact N-CE1 2.86Å; G472-H648 PolarHBondContact N-NE2 2.72Å
473I92Very high91.3Very high2 Ų239.4 Ų39.41%0.0119%0.189CC..  trans-80.9129168.5-54.1174.8000107.3W414 V469 L477 R478 V481 L485 D651W414-I473 HydrophobicContact CH2-CD1 4.32Å; W414-I473 HydrophobicContact CH2-CG1 3.83Å; W414-I473 HydrophobicContact CZ2-CB 4.27Å; W414-I473 HydrophobicContact CZ2-CG1 3.62Å; W414-I473 HydrophobicContact CZ2-CG2 4.43Å; V469-I473 HydrophobicContact CG2-CD1 4.48Å; I473-L477 HydrophobicContact CG2-CB 3.95Å; I473-R478 HydrophobicContact CB-CG 4.01Å; I473-R478 HydrophobicContact CG2-CG 3.82Å; I473-R478 VanDerWaalsContact O-CZ 3.27Å; I473-R478 PolarHBondContact O-NE 3.35Å; I473-R478 PolarHBondContact O-NH2 3.34Å; I473-V481 HydrophobicContact CD1-CB 4.12Å; I473-V481 HydrophobicContact CD1-CG1 3.57Å; I473-V481 HydrophobicContact CG1-CG1 4.38Å; I473-V481 HydrophobicContact CG2-CB 4.13Å; I473-V481 HydrophobicContact CG2-CG1 4.45Å; I473-V481 HydrophobicContact CG2-CG2 4.17Å; I473-L485 HydrophobicContact CD1-CD1 4.06Å; I473-D651 WeakPolarHBondContact CB-OD2 3.21Å; I473-D651 HydrophobicContact CD1-CB 3.77Å; I473-D651 WeakPolarHBondContact CD1-OD1 3.38Å; I473-D651 HydrophobicContact CG1-CB 3.94Å; I473-D651 PolarHBondContact N-OD2 2.84Å
474P90.2Very high91.3Very high20 Ų2034.6 Ų34.613%0.1317%0.167CC..  trans-57.9138.7173.2-26.535.4000111.9L410 A476 L477 R478L410-P474 HydrophobicContact CD2-CG 4.42Å; L410-P474 HydrophobicContact CG-CG 4.4Å; P474-A476 PolarHBondContact O-N 3.46Å; P474-A476 VanDerWaalsContact O-N 3.07Å; P474-L477 HydrophobicContact CB-CD1 4.31Å; P474-L477 HydrophobicContact CG-CD1 4.07Å; P474-L477 WeakPolarHBondContact O-CB 3.31Å; P474-L477 PolarHBondContact O-N 3.13Å; P474-R478 PolarHBondContact O-N 3.05Å
475D87.4Confident91.1Very high32 Ų3229.5 Ų29.517%0.17115%0.148CC..THydrogen-bonded Turntrans-49.5-40.8-175.4-72.229.8000113.2V401 S402 L477 R478V401-D475 WeakPolarHBondContact CG1-OD2 3.25Å; S402-D475 PolarHBondContact N-OD2 3.4Å; S402-D475 WeakPolarHBondContact O-CB 3.37Å; D475-L477 PolarHBondContact O-N 2.95Å; D475-R478 PolarHBondContact O-N 3.03Å; D475-R478 IonicContact OD1-CZ 3.09Å; D475-R478 IonicContact OD1-NH1 3.66Å; D475-R478 PolarHBondContact OD1-NH1 2.94Å; D475-R478 IonicContact OD1-NH2 2.81Å; D475-R478 PolarHBondContact OD1-NH2 2.96Å; D475-R478 IonicContact OD2-NH1 2.77Å
476A84.8Confident90.8Very high42 Ų4229.5 Ų29.535%0.34715%0.148SC..THydrogen-bonded Turntrans-68-17179.300000114.9L331 P474L331-A476 HydrophobicContact CD1-CB 4.29Å; L331-A476 HydrophobicContact CD2-CB 4.45Å; P474-A476 PolarHBondContact O-N 3.46Å; P474-A476 VanDerWaalsContact O-N 3.07Å
477L90.5Very high90Very high7 Ų725.4 Ų25.44%0.03714%0.144CC..THydrogen-bonded Turntrans-101.1-18.7179.8-78.8168.6000113.5L331 L411 W414 I473 P474 D475 A479 E480 V481L331-L477 HydrophobicContact CD2-CD2 3.4Å; L331-L477 VanDerWaalsContact CD2-CD2 3.4Å; L331-L477 HydrophobicContact CD2-CG 3.72Å; L411-L477 HydrophobicContact CD1-CD1 3.85Å; L411-L477 HydrophobicContact CD1-CG 4.46Å; W414-L477 HydrophobicContact CB-CD1 3.53Å; W414-L477 HydrophobicContact CG-CD1 3.88Å; I473-L477 HydrophobicContact CG2-CB 3.95Å; P474-L477 HydrophobicContact CB-CD1 4.31Å; P474-L477 HydrophobicContact CG-CD1 4.07Å; P474-L477 WeakPolarHBondContact O-CB 3.31Å; P474-L477 PolarHBondContact O-N 3.13Å; D475-L477 PolarHBondContact O-N 2.95Å; L477-A479 PolarHBondContact O-N 2.71Å; L477-A479 VanDerWaalsContact O-N 3.17Å; L477-E480 PolarHBondContact O-N 2.72Å; L477-E480 VanDerWaalsContact O-N 3.07Å; L477-V481 HydrophobicContact CB-CG2 4.15Å; L477-V481 WeakPolarHBondContact O-CG2 3.45Å; L477-V481 PolarHBondContact O-N 2.93Å
478R92.7Very high88.7Confident17 Ų1719.2 Ų19.26%0.06412%0.117CC..Hα-helixtrans-56.5-36.9-174.2-64.1-152.1-171.888.417.6113.3I473 P474 D475 E480 W482 H566 F647 D651I473-R478 HydrophobicContact CB-CG 4.01Å; I473-R478 HydrophobicContact CG2-CG 3.82Å; I473-R478 VanDerWaalsContact O-CZ 3.27Å; I473-R478 PolarHBondContact O-NE 3.35Å; I473-R478 PolarHBondContact O-NH2 3.34Å; P474-R478 PolarHBondContact O-N 3.05Å; D475-R478 PolarHBondContact O-N 3.03Å; D475-R478 IonicContact OD1-CZ 3.09Å; D475-R478 IonicContact OD1-NH1 3.66Å; D475-R478 PolarHBondContact OD1-NH1 2.94Å; D475-R478 IonicContact OD1-NH2 2.81Å; D475-R478 PolarHBondContact OD1-NH2 2.96Å; D475-R478 IonicContact OD2-NH1 2.77Å; R478-E480 VanDerWaalsContact C-N 3.27Å; R478-E480 PolarHBondContact O-N 3.31Å; R478-W482 HydrophobicContact CB-CD2 4.03Å; R478-W482 HydrophobicContact CB-CE3 4.47Å; R478-W482 HydrophobicContact CB-CG 4.41Å; R478-W482 HydrophobicContact CB-CZ2 4.14Å; R478-W482 HydrophobicContact CG-CZ2 4.26Å; R478-W482 WeakPolarHBondContact O-CB 3.41Å; R478-W482 PolarHBondContact O-N 2.84Å; R478-H566 HydrophobicContact CB-CB 4.45Å; R478-H566 PolarHBondContact NH1-NE2 3.27Å; R478-F647 VanDerWaalsContact NH1-CD2 3.26Å; R478-D651 VanDerWaalsContact CD-OD1 3.29Å; R478-D651 WeakPolarHBondContact CD-OD1 3.36Å; R478-D651 IonicContact NE-OD1 3.97Å; R478-D651 PolarHBondContact NE-OD1 2.97Å; R478-D651 IonicContact NE-OD2 2.78Å; R478-D651 PolarHBondContact NE-OD2 2.71Å
479A91.2Very high87.1Confident23 Ų2320.2 Ų20.219%0.1913%0.125CC..Hα-helixtrans-53.2-45.3177.600000112.6L477 Q483 H566 M567L477-A479 PolarHBondContact O-N 2.71Å; L477-A479 VanDerWaalsContact O-N 3.17Å; A479-Q483 WeakPolarHBondContact O-CG 3.44Å; A479-Q483 PolarHBondContact O-NE2 2.97Å; A479-H566 WeakPolarHBondContact CB-O 3.22Å; A479-M567 HydrophobicContact CB-CB 4.26Å
480E90.4Very high85.2Confident33 Ų3323.6 Ų23.615%0.15415%0.145CC..Hα-helixtrans-84.1-45.4-176.4-173.5172.9174.300111.4V418 H422 L477 R478 Q483 L484V418-E480 HydrophobicContact CG1-CG 4.31Å; V418-E480 VanDerWaalsContact CG1-OE1 3.25Å; V418-E480 WeakPolarHBondContact CG1-OE1 3.32Å; H422-E480 IonicContact CE1-OE1 3.25Å; H422-E480 PolarHBondContact CE1-OE1 3.08Å; H422-E480 IonicContact ND1-OE1 2.69Å; H422-E480 IonicContact NE2-OE1 2.79Å; L477-E480 PolarHBondContact O-N 2.72Å; L477-E480 VanDerWaalsContact O-N 3.07Å; R478-E480 VanDerWaalsContact C-N 3.27Å; R478-E480 PolarHBondContact O-N 3.31Å; E480-Q483 PolarHBondContact O-N 3.45Å; E480-L484 WeakPolarHBondContact O-CG 3.4Å; E480-L484 PolarHBondContact O-N 2.93Å
481V92.7Very high83.4Confident0 Ų028.3 Ų28.30%017%0.167CC..Hα-helixtrans-70.5-34.9-177.6-176.40000112.2W414 V418 W421 I473 L477 L484 L485W414-V481 HydrophobicContact CE3-CG2 4.16Å; W414-V481 HydrophobicContact CH2-CG1 3.92Å; W414-V481 HydrophobicContact CZ3-CG1 3.7Å; W414-V481 HydrophobicContact CZ3-CG2 3.98Å; V418-V481 HydrophobicContact CG2-CG2 3.91Å; W421-V481 HydrophobicContact CZ3-CG1 4.26Å; I473-V481 HydrophobicContact CD1-CB 4.12Å; I473-V481 HydrophobicContact CD1-CG1 3.57Å; I473-V481 HydrophobicContact CG1-CG1 4.38Å; I473-V481 HydrophobicContact CG2-CB 4.13Å; I473-V481 HydrophobicContact CG2-CG1 4.45Å; I473-V481 HydrophobicContact CG2-CG2 4.17Å; L477-V481 HydrophobicContact CB-CG2 4.15Å; L477-V481 WeakPolarHBondContact O-CG2 3.45Å; L477-V481 PolarHBondContact O-N 2.93Å; V481-L484 PolarHBondContact O-N 3.15Å; V481-L485 HydrophobicContact CG1-CD1 4.02Å; V481-L485 HydrophobicContact CG1-CG 4.29Å; V481-L485 WeakPolarHBondContact O-CB 3.44Å; V481-L485 VanDerWaalsContact O-CG 3.3Å; V481-L485 WeakPolarHBondContact O-CG 3.38Å; V481-L485 PolarHBondContact O-N 3.47Å
482W94.1Very high81.9Confident0 Ų026.6 Ų26.60%016%0.163CC..Hα-helixtrans-66.3-38.4174.5-69.7-5.3000112.1R478 L485 S486 V562 L563 H566 M567 L575 V650 D651 L654R478-W482 HydrophobicContact CB-CD2 4.03Å; R478-W482 HydrophobicContact CB-CE3 4.47Å; R478-W482 HydrophobicContact CB-CG 4.41Å; R478-W482 HydrophobicContact CB-CZ2 4.14Å; R478-W482 HydrophobicContact CG-CZ2 4.26Å; R478-W482 WeakPolarHBondContact O-CB 3.41Å; R478-W482 PolarHBondContact O-N 2.84Å; W482-L485 PolarHBondContact O-N 3.27Å; W482-S486 VanDerWaalsContact O-CB 3.29Å; W482-S486 WeakPolarHBondContact O-CB 3.31Å; W482-S486 PolarHBondContact O-N 3.28Å; W482-S486 PolarHBondContact O-OG 3.32Å; W482-V562 HydrophobicContact CH2-CG1 3.52Å; W482-V562 HydrophobicContact CZ3-CG1 3.99Å; W482-L563 HydrophobicContact CE3-CD2 3.82Å; W482-L563 HydrophobicContact CZ3-CD2 3.78Å; W482-H566 AromaticContact CH2-CE1 3.69Å; W482-H566 AromaticContact CH2-ND1 3.44Å; W482-H566 WeakPolarHBondContact CH2-ND1 3.41Å; W482-H566 HydrophobicContact CZ3-CB 4.11Å; W482-H566 AromaticContact CZ3-CG 3.93Å; W482-H566 AromaticContact CZ3-ND1 3.56Å; W482-M567 HydrophobicContact CB-CE 4.36Å; W482-M567 HydrophobicContact CE3-CE 3.83Å; W482-L575 HydrophobicContact CB-CD2 3.8Å; W482-L575 HydrophobicContact CE3-CD2 4.22Å; W482-V650 HydrophobicContact CD2-CG1 4.25Å; W482-V650 HydrophobicContact CH2-CG1 4.02Å; W482-V650 HydrophobicContact CZ2-CB 3.97Å; W482-V650 HydrophobicContact CZ2-CG1 3.56Å; W482-D651 PolarHBondContact NE1-OD1 3.37Å; W482-L654 HydrophobicContact CB-CD1 3.66Å; W482-L654 HydrophobicContact CD2-CD1 3.97Å; W482-L654 HydrophobicContact CG-CD1 3.44Å; W482-L654 VanDerWaalsContact CG-CD1 3.44Å
483Q90.2Very high80.6Confident7 Ų729.3 Ų29.33%0.03318%0.181CC..Hα-helixtrans-62-49173.2-76.7175.694.800110.6A479 E480 L485 S486 G487 C488 Q571A479-Q483 WeakPolarHBondContact O-CG 3.44Å; A479-Q483 PolarHBondContact O-NE2 2.97Å; E480-Q483 PolarHBondContact O-N 3.45Å; Q483-L485 PolarHBondContact O-N 3.38Å; Q483-S486 WeakPolarHBondContact CA-OG 3.24Å; Q483-S486 PolarHBondContact O-N 2.91Å; Q483-S486 VanDerWaalsContact O-N 3.15Å; Q483-S486 PolarHBondContact O-OG 3.17Å; Q483-G487 PolarHBondContact O-N 3.15Å; Q483-G487 VanDerWaalsContact O-N 3.17Å; Q483-C488 PolarHBondContact O-N 2.71Å; Q483-Q571 VanDerWaalsContact NE2-OE1 3.11Å
484L89Confident80.2Confident20 Ų2031.7 Ų31.711%0.10521%0.206CC..Hα-helixtrans-58.1-42.4174.8-71.9172.4000113.6V418 W421 V425 E480 V481 G487V418-L484 HydrophobicContact CG1-CD1 4.26Å; W421-L484 HydrophobicContact CB-CD1 4.32Å; W421-L484 HydrophobicContact CD2-CB 4.12Å; W421-L484 HydrophobicContact CD2-CD1 3.96Å; W421-L484 HydrophobicContact CD2-CG 4.46Å; W421-L484 HydrophobicContact CE3-CB 4.34Å; W421-L484 HydrophobicContact CE3-CD1 4.01Å; W421-L484 HydrophobicContact CG-CD1 4.12Å; W421-L484 HydrophobicContact CG-CD2 4.33Å; W421-L484 HydrophobicContact CH2-CB 4.14Å; W421-L484 HydrophobicContact CZ2-CB 3.89Å; W421-L484 HydrophobicContact CZ3-CB 4.36Å; V425-L484 HydrophobicContact CG2-CD2 4.27Å; E480-L484 WeakPolarHBondContact O-CG 3.4Å; E480-L484 PolarHBondContact O-N 2.93Å; V481-L484 PolarHBondContact O-N 3.15Å; L484-G487 PolarHBondContact O-N 3.43Å
485L90.3Very high80.1Confident2 Ų231.5 Ų31.51%0.0120%0.203CC..Hα-helixtrans-64.8-39.6176.1-78.6168.2000111.9W421 P452 I465 I473 V481 W482 Q483 G487 Y583 L654 T655W421-L485 HydrophobicContact CH2-CD2 3.7Å; W421-L485 HydrophobicContact CH2-CG 3.88Å; W421-L485 HydrophobicContact CZ2-CD2 4.45Å; P452-L485 WeakPolarHBondContact CG-O 2.96Å; I465-L485 HydrophobicContact CG2-CD2 4.41Å; I473-L485 HydrophobicContact CD1-CD1 4.06Å; V481-L485 HydrophobicContact CG1-CD1 4.02Å; V481-L485 HydrophobicContact CG1-CG 4.29Å; V481-L485 WeakPolarHBondContact O-CB 3.44Å; V481-L485 VanDerWaalsContact O-CG 3.3Å; V481-L485 WeakPolarHBondContact O-CG 3.38Å; V481-L485 PolarHBondContact O-N 3.47Å; W482-L485 PolarHBondContact O-N 3.27Å; Q483-L485 PolarHBondContact O-N 3.38Å; L485-G487 PolarHBondContact O-N 2.94Å; L485-Y583 PolarHBondContact O-OH 2.92Å; L485-L654 HydrophobicContact CB-CB 3.97Å; L485-L654 HydrophobicContact CD1-CB 3.92Å; L485-T655 HydrophobicContact CD2-CG2 4.37Å; L485-T655 VanDerWaalsContact CD2-OG1 3.25Å; L485-T655 WeakPolarHBondContact CD2-OG1 3.48Å
486S85.3Confident80.1Confident0 Ų031 Ų310%020%0.2CC..Hα-helixtrans-76.1-3.417976.20000115.1P452 W482 Q483 C488 L575P452-S486 WeakPolarHBondContact CG-O 3.21Å; W482-S486 VanDerWaalsContact O-CB 3.29Å; W482-S486 WeakPolarHBondContact O-CB 3.31Å; W482-S486 PolarHBondContact O-N 3.28Å; W482-S486 PolarHBondContact O-OG 3.32Å; Q483-S486 WeakPolarHBondContact CA-OG 3.24Å; Q483-S486 PolarHBondContact O-N 2.91Å; Q483-S486 VanDerWaalsContact O-N 3.15Å; Q483-S486 PolarHBondContact O-OG 3.17Å; S486-C488 PolarHBondContact O-N 3.45Å; S486-C488 WeakPolarHBondContact OG-CB 3.2Å; S486-C488 PolarHBondContact OG-N 3.41Å; S486-L575 WeakPolarHBondContact OG-CD1 3.22Å
487G76.6Confident80.3Confident37 Ų3732 Ų3238%0.38120%0.2SC..THydrogen-bonded Turntrans71.97.1179.800000113.6Q483 L484 L485 P489Q483-G487 PolarHBondContact O-N 3.15Å; Q483-G487 VanDerWaalsContact O-N 3.17Å; L484-G487 PolarHBondContact O-N 3.43Å; L485-G487 PolarHBondContact O-N 2.94Å; G487-P489 WeakPolarHBondContact O-CD 3.36Å
488C65.7Low80.4Confident2 Ų232.9 Ų32.91%0.01421%0.208CC..  trans-78.7106.5172.5-1700000108.7Q483 S486 Q578Q483-C488 PolarHBondContact O-N 2.71Å; S486-C488 PolarHBondContact O-N 3.45Å; S486-C488 WeakPolarHBondContact OG-CB 3.2Å; S486-C488 PolarHBondContact OG-N 3.41Å; C488-Q578 HydrophobicContact CB-CG 4.27Å
489P59.3Low80.5Confident33 Ų3332.4 Ų32.421%0.21421%0.206CC..  trans-65149.8166.630.4-33.7000109.3G487 D491 E492G487-P489 WeakPolarHBondContact O-CD 3.36Å; P489-D491 PolarHBondContact O-N 3.35Å; P489-E492 HydrophobicContact CG-CB 4.25Å; P489-E492 PolarHBondContact O-N 2.96Å
490V54.2Low80.6Confident70 Ų7036.6 Ų36.642%0.42422%0.217SC..THydrogen-bonded Turntrans-57.1-25.1-178.8-178.80000112.4
491D54Low80.7Confident143 Ų14339.9 Ų39.977%0.76524%0.235SC*.THydrogen-bonded Turntrans-96.819.6-175.8-49.7-49000114.1P489 S493P489-D491 PolarHBondContact O-N 3.35Å; D491-S493 PolarHBondContact O-N 2.96Å
492E59Low80.7Confident60 Ų6040.4 Ų40.428%0.2824%0.237SC..  trans-74.166.2177.7-161.4169.7-12700112.1P489 G494 L495 Q578P489-E492 HydrophobicContact CG-CB 4.25Å; P489-E492 PolarHBondContact O-N 2.96Å; E492-G494 PolarHBondContact O-N 2.85Å; E492-G494 VanDerWaalsContact O-N 3.09Å; E492-L495 PolarHBondContact O-N 3.23Å; E492-L495 WeakPolarHBondContact OE2-CD1 3.29Å; E492-Q578 PolarHBondContact OE2-NE2 3.03Å
493S63.1Low80.7Confident66 Ų6642.8 Ų42.846%0.46225%0.249SC..Hα-helixtrans-49.2-39.4-177.1-157.90000112.4D491 L495 M496 D497D491-S493 PolarHBondContact O-N 2.96Å; S493-L495 PolarHBondContact O-N 3.09Å; S493-M496 PolarHBondContact O-N 2.81Å; S493-D497 WeakPolarHBondContact O-CB 3.3Å; S493-D497 VanDerWaalsContact O-CG 3.24Å; S493-D497 PolarHBondContact O-N 2.89Å; S493-D497 PolarHBondContact OG-OD2 3.02Å
494G83.2Confident80.8Confident52 Ų5247.8 Ų47.854%0.53628%0.281SS..Hα-helixtrans-55-41.1-175.400000115E492 A498E492-G494 PolarHBondContact O-N 2.85Å; E492-G494 VanDerWaalsContact O-N 3.09Å; G494-A498 VanDerWaalsContact O-CB 3.25Å; G494-A498 WeakPolarHBondContact O-CB 3.23Å; G494-A498 PolarHBondContact O-N 3.25Å
495L87.6Confident80.8Confident16 Ų1651.4 Ų51.48%0.08430%0.296CS..Hα-helixtrans-77.1-34177.1-72.9-178.3000112.4E492 S493 A498 Y499 Y546 F573 T574 V577 Q578E492-L495 PolarHBondContact O-N 3.23Å; E492-L495 WeakPolarHBondContact OE2-CD1 3.29Å; S493-L495 PolarHBondContact O-N 3.09Å; L495-A498 PolarHBondContact O-N 3.15Å; L495-Y499 PolarHBondContact O-N 2.91Å; L495-Y546 HydrophobicContact CD2-CE2 3.63Å; L495-F573 HydrophobicContact CB-CE1 4.42Å; L495-F573 VanDerWaalsContact O-CE1 3.29Å; L495-F573 WeakPolarHBondContact O-CE1 3.38Å; L495-T574 HydrophobicContact CB-CG2 3.53Å; L495-T574 HydrophobicContact CD1-CG2 4.39Å; L495-V577 HydrophobicContact CD1-CB 4.42Å; L495-V577 HydrophobicContact CD1-CG1 4.15Å; L495-V577 HydrophobicContact CD2-CG1 4.09Å; L495-Q578 HydrophobicContact CD1-CG 4.35Å
496M89.1Confident80.9Confident22 Ų2257.3 Ų57.311%0.10833%0.334CS..Hα-helixtrans-70.7-37.7175.9-59.1-170.1-168.800111.5S493 Y499 R500 E570 Q571 T574S493-M496 PolarHBondContact O-N 2.81Å; M496-Y499 WeakPolarHBondContact O-CB 3.48Å; M496-Y499 PolarHBondContact O-N 2.78Å; M496-R500 VanDerWaalsContact O-CG 3.3Å; M496-R500 WeakPolarHBondContact O-CG 3.36Å; M496-R500 PolarHBondContact O-N 3.09Å; M496-E570 HydrophobicContact CB-CB 4.49Å; M496-E570 HydrophobicContact CG-CB 4.21Å; M496-E570 HydrophobicContact SD-CB 4.35Å; M496-Q571 HydrophobicContact CE-CG 3.89Å; M496-T574 HydrophobicContact CE-CG2 4.22Å; M496-T574 HydrophobicContact CG-CG2 3.69Å
497D89Confident81.2Confident62 Ų6258.1 Ų58.133%0.33234%0.34SS..Hα-helixtrans-68.9-40173.5-65.7-38.7000111.3S493 Y499 R500 I501S493-D497 WeakPolarHBondContact O-CB 3.3Å; S493-D497 VanDerWaalsContact O-CG 3.24Å; S493-D497 PolarHBondContact O-N 2.89Å; S493-D497 PolarHBondContact OG-OD2 3.02Å; D497-Y499 PolarHBondContact O-N 3.34Å; D497-R500 PolarHBondContact O-N 3.01Å; D497-R500 IonicContact OD1-CZ 3.15Å; D497-R500 IonicContact OD1-NH1 3.84Å; D497-R500 PolarHBondContact OD1-NH1 3.13Å; D497-I501 WeakPolarHBondContact O-CG1 3.5Å; D497-I501 PolarHBondContact O-N 3.18Å; D497-I501 VanDerWaalsContact O-N 3.1Å
498A90.8Very high82Confident25 Ų2564.7 Ų64.721%0.20736%0.357CS..Hα-helixtrans-58.1-47169.800000111.2G494 L495 R500 I501 L502G494-A498 VanDerWaalsContact O-CB 3.25Å; G494-A498 WeakPolarHBondContact O-CB 3.23Å; G494-A498 PolarHBondContact O-N 3.25Å; L495-A498 PolarHBondContact O-N 3.15Å; A498-R500 PolarHBondContact O-N 2.78Å; A498-I501 PolarHBondContact O-N 3.12Å; A498-I501 VanDerWaalsContact O-N 3.16Å; A498-L502 HydrophobicContact CB-CD1 4.32Å; A498-L502 WeakPolarHBondContact O-CB 3.18Å; A498-L502 WeakPolarHBondContact O-CD1 3.32Å; A498-L502 WeakPolarHBondContact O-CG 3.39Å; A498-L502 PolarHBondContact O-N 3.01Å
499Y94.7Very high83.3Confident7 Ų766 Ų663%0.02736%0.364CS..Hα-helixtrans-54.1-50175.3170.1-95.2000112.2L495 M496 D497 I501 L502 I503 L538 A542 V569 E570 F573L495-Y499 PolarHBondContact O-N 2.91Å; M496-Y499 WeakPolarHBondContact O-CB 3.48Å; M496-Y499 PolarHBondContact O-N 2.78Å; D497-Y499 PolarHBondContact O-N 3.34Å; Y499-I501 PolarHBondContact O-N 2.88Å; Y499-L502 PolarHBondContact O-N 2.89Å; Y499-L502 VanDerWaalsContact O-N 3.13Å; Y499-I503 HydrophobicContact CD2-CG2 4.14Å; Y499-I503 HydrophobicContact CE1-CD1 4.12Å; Y499-I503 HydrophobicContact CE1-CG2 4.22Å; Y499-I503 HydrophobicContact CE2-CG2 3.66Å; Y499-I503 WeakPolarHBondContact O-CG1 3.47Å; Y499-I503 PolarHBondContact O-N 2.76Å; Y499-L538 WeakPolarHBondContact OH-CB 3.4Å; Y499-A542 HydrophobicContact CD2-CB 3.54Å; Y499-A542 HydrophobicContact CE2-CB 3.86Å; Y499-V569 HydrophobicContact CE1-CG1 4.18Å; Y499-V569 HydrophobicContact CE2-CG2 4.44Å; Y499-V569 VanDerWaalsContact OH-CG2 3.26Å; Y499-V569 WeakPolarHBondContact OH-CG2 3.42Å; Y499-E570 HydrophobicContact CD1-CB 4.38Å; Y499-E570 HydrophobicContact CD1-CG 3.74Å; Y499-E570 HydrophobicContact CE1-CG 3.82Å; Y499-F573 HydrophobicContact CD2-CB 3.74Å; Y499-F573 HydrophobicContact CD2-CD1 4.13Å; Y499-F573 HydrophobicContact CD2-CD2 4.02Å; Y499-F573 AromaticContact CD2-CG 3.68Å; Y499-F573 HydrophobicContact CD2-CG 3.68Å; Y499-F573 HydrophobicContact CE2-CB 4.32Å; Y499-F573 HydrophobicContact CG-CB 4.4Å; Y499-F573 HydrophobicContact CG-CD1 4.25Å; Y499-F573 HydrophobicContact CG-CG 4.25Å
500R93.5Very high84.9Confident112 Ų11266 Ų6642%0.42336%0.362SS..Hα-helixtrans-58.5-34.9179.2-68.6164.5-167.6155.81.7112.5M496 D497 A498 I503 E570M496-R500 VanDerWaalsContact O-CG 3.3Å; M496-R500 WeakPolarHBondContact O-CG 3.36Å; M496-R500 PolarHBondContact O-N 3.09Å; D497-R500 PolarHBondContact O-N 3.01Å; D497-R500 IonicContact OD1-CZ 3.15Å; D497-R500 IonicContact OD1-NH1 3.84Å; D497-R500 PolarHBondContact OD1-NH1 3.13Å; A498-R500 PolarHBondContact O-N 2.78Å; R500-I503 WeakPolarHBondContact O-CG1 3.3Å; R500-E570 WeakPolarHBondContact CG-OE1 3.45Å; R500-E570 IonicContact CZ-OE1 2.82Å; R500-E570 IonicContact CZ-OE2 2.68Å; R500-E570 IonicContact NE-OE1 3.18Å; R500-E570 PolarHBondContact NE-OE1 3.05Å; R500-E570 IonicContact NE-OE2 3.29Å; R500-E570 IonicContact NH2-OE1 3.64Å; R500-E570 IonicContact NH2-OE2 2.67Å; R500-E570 PolarHBondContact NH2-OE2 2.89Å
501I92.4Very high86.8Confident102 Ų10268.3 Ų68.352%0.52337%0.368SS..Hα-helixtrans-74.5-47.9173.9-65165.4000110.8D497 A498 Y499 I503 T504D497-I501 WeakPolarHBondContact O-CG1 3.5Å; D497-I501 PolarHBondContact O-N 3.18Å; D497-I501 VanDerWaalsContact O-N 3.1Å; A498-I501 PolarHBondContact O-N 3.12Å; A498-I501 VanDerWaalsContact O-N 3.16Å; Y499-I501 PolarHBondContact O-N 2.88Å; I501-I503 VanDerWaalsContact C-N 3.33Å; I501-I503 PolarHBondContact O-N 2.86Å; I501-T504 WeakPolarHBondContact O-CB 3.4Å; I501-T504 PolarHBondContact O-N 3.43Å; I501-T504 PolarHBondContact O-OG1 2.93Å
502L94.2Very high88.6Confident11 Ų1163.9 Ų63.96%0.05835%0.346CS..Hα-helixtrans-61.4-37.3-173.8-70.1162.6000112.6A498 Y499 T504 K505 A542 L545 Y546 F573A498-L502 HydrophobicContact CB-CD1 4.32Å; A498-L502 WeakPolarHBondContact O-CB 3.18Å; A498-L502 WeakPolarHBondContact O-CD1 3.32Å; A498-L502 WeakPolarHBondContact O-CG 3.39Å; A498-L502 PolarHBondContact O-N 3.01Å; Y499-L502 PolarHBondContact O-N 2.89Å; Y499-L502 VanDerWaalsContact O-N 3.13Å; L502-T504 PolarHBondContact O-N 3.46Å; L502-T504 VanDerWaalsContact O-N 3.12Å; L502-K505 HydrophobicContact CD2-CD 4.42Å; L502-K505 PolarHBondContact O-N 3.48Å; L502-K505 VanDerWaalsContact O-N 3.07Å; L502-A542 HydrophobicContact CB-CB 4.28Å; L502-L545 HydrophobicContact CD2-CB 3.68Å; L502-L545 WeakPolarHBondContact CD2-O 3.1Å; L502-L545 VanDerWaalsContact O-CD1 3.3Å; L502-L545 WeakPolarHBondContact O-CD1 3.41Å; L502-Y546 HydrophobicContact CD1-CD2 4.05Å; L502-Y546 HydrophobicContact CD1-CG 4.49Å; L502-F573 HydrophobicContact CD1-CE2 4.32Å; L502-F573 HydrophobicContact CD1-CZ 3.87Å
503I93.1Very high90.3Very high49 Ų4961 Ų6125%0.25133%0.332SS..THydrogen-bonded Turntrans-65.9-10.9176.462.7173000114.3Y499 R500 I501 L538 R541 A542Y499-I503 HydrophobicContact CD2-CG2 4.14Å; Y499-I503 HydrophobicContact CE1-CD1 4.12Å; Y499-I503 HydrophobicContact CE1-CG2 4.22Å; Y499-I503 HydrophobicContact CE2-CG2 3.66Å; Y499-I503 WeakPolarHBondContact O-CG1 3.47Å; Y499-I503 PolarHBondContact O-N 2.76Å; R500-I503 WeakPolarHBondContact O-CG1 3.3Å; I501-I503 VanDerWaalsContact C-N 3.33Å; I501-I503 PolarHBondContact O-N 2.86Å; I503-L538 HydrophobicContact CB-CD2 4.45Å; I503-L538 HydrophobicContact CG2-CD2 4.19Å; I503-R541 PolarHBondContact O-NH2 2.98Å; I503-A542 HydrophobicContact CG2-CB 4.26Å
504T91.6Very high91.7Very high112 Ų11262.7 Ų62.769%0.68733%0.328SS*.THydrogen-bonded Turntrans-91.8-14.9173.971.90000113.4I501 L502I501-T504 WeakPolarHBondContact O-CB 3.4Å; I501-T504 PolarHBondContact O-N 3.43Å; I501-T504 PolarHBondContact O-OG1 2.93Å; L502-T504 PolarHBondContact O-N 3.46Å; L502-T504 VanDerWaalsContact O-N 3.12Å
505K90Very high92.1Very high97 Ų9768.1 Ų68.142%0.42233%0.333SS..SBendtrans-83.9148.4-178.2-64.5-174.5-179-179.50111.8L502 L545L502-K505 HydrophobicContact CD2-CD 4.42Å; L502-K505 PolarHBondContact O-N 3.48Å; L502-K505 VanDerWaalsContact O-N 3.07Å; K505-L545 HydrophobicContact CB-CD1 4.09Å
506P91.6Very high92.3Very high125 Ų12567.6 Ų67.681%0.81233%0.33SS*.  trans-66.9144.1170.829.6-34.9000110.9L545P506-L545 WeakPolarHBondContact O-CD2 3.34Å
507C92.7Very high92.5Very high18 Ų1867.1 Ų67.112%0.12233%0.328CS..  trans-125.3127-179.9-171.10000112.2H509 R541 L545C507-H509 PolarHBondContact O-N 2.89Å; C507-H509 PolarHBondContact SG-N 3.49Å; C507-R541 HydrophobicContact CB-CG 3.62Å; C507-L545 HydrophobicContact CB-CD1 4.06Å; C507-L545 HydrophobicContact CB-CD2 4.05Å; C507-L545 HydrophobicContact CB-CG 4.09Å
508K93.5Very high92.6Very high174 Ų17467.8 Ų67.876%0.75734%0.342SS*.THydrogen-bonded Turntrans-68.3-14.3176.569.4-171.6-179.6-170.70114.3
509H92.7Very high92.6Very high31 Ų3171.1 Ų71.114%0.14435%0.349CS..THydrogen-bonded Turntrans-97.4-2.6-173.9-62.9-76.1000114.5C507 E511 V512 I513 A544 Y552C507-H509 PolarHBondContact O-N 2.89Å; C507-H509 PolarHBondContact SG-N 3.49Å; H509-E511 VanDerWaalsContact C-N 3.32Å; H509-E511 PolarHBondContact O-N 2.92Å; H509-E511 VanDerWaalsContact O-N 3.16Å; H509-V512 WeakPolarHBondContact O-CA 3.44Å; H509-V512 WeakPolarHBondContact O-CB 3.42Å; H509-V512 PolarHBondContact O-N 3.39Å; H509-I513 HydrophobicContact CB-CD1 4.05Å; H509-I513 HydrophobicContact CB-CG1 4.33Å; H509-I513 WeakPolarHBondContact O-CG1 3.42Å; H509-I513 PolarHBondContact O-N 3.25Å; H509-A544 HydrophobicContact CB-CB 4.44Å; H509-Y552 HydrophobicContact CB-CG 4.44Å
510D93.3Very high92.5Very high32 Ų3270.8 Ų70.817%0.17135%0.348CS..Hα-helixtrans-44.6-48.6-174.7-101.729.9000114.1V512 I513 R514 F537 R541D510-V512 PolarHBondContact O-N 2.69Å; D510-I513 PolarHBondContact O-N 3.13Å; D510-R514 WeakPolarHBondContact O-CG 3.29Å; D510-R514 PolarHBondContact O-N 3.32Å; D510-R514 IonicContact OD2-CZ 3.26Å; D510-R514 IonicContact OD2-NH1 2.69Å; D510-R514 IonicContact OD2-NH2 3.77Å; D510-R514 PolarHBondContact OD2-NH2 3.13Å; D510-F537 WeakPolarHBondContact OD1-CZ 3.31Å; D510-R541 VanDerWaalsContact OD1-CD 3.26Å; D510-R541 WeakPolarHBondContact OD1-CD 3.31Å
511E92.7Very high92.5Very high119 Ų11965.4 Ų65.456%0.55633%0.328SS*.Hα-helixtrans-72.7-23.6179.3-65-52.7139.100114.5H509 R514 R515H509-E511 VanDerWaalsContact C-N 3.32Å; H509-E511 PolarHBondContact O-N 2.92Å; H509-E511 VanDerWaalsContact O-N 3.16Å; E511-R514 IonicContact OE1-CZ 3.05Å; E511-R514 IonicContact OE1-NH1 3.64Å; E511-R514 PolarHBondContact OE1-NH1 3.03Å; E511-R515 WeakPolarHBondContact O-CG 3.07Å; E511-R515 PolarHBondContact O-NE 3.03Å
512V92Very high92.4Very high49 Ų4962.3 Ų62.330%0.29731%0.314SS..Hα-helixtrans-77.5-43.3174-165.50000109.4H509 D510 R515 D516 Y552H509-V512 WeakPolarHBondContact O-CA 3.44Å; H509-V512 WeakPolarHBondContact O-CB 3.42Å; H509-V512 PolarHBondContact O-N 3.39Å; D510-V512 PolarHBondContact O-N 2.69Å; V512-R515 PolarHBondContact O-N 3.31Å; V512-D516 PolarHBondContact O-N 3.2Å; V512-Y552 HydrophobicContact CB-CD1 3.99Å; V512-Y552 HydrophobicContact CB-CE1 4.42Å; V512-Y552 HydrophobicContact CG1-CD1 3.76Å; V512-Y552 HydrophobicContact CG1-CE1 3.96Å
513I94.9Very high92.2Very high0 Ų062.7 Ų62.70%032%0.319CS..Hα-helixtrans-59.2-52.5175.4-61.7164000109.7H509 D510 R515 D516 L517 F537 R541 Y552H509-I513 HydrophobicContact CB-CD1 4.05Å; H509-I513 HydrophobicContact CB-CG1 4.33Å; H509-I513 WeakPolarHBondContact O-CG1 3.42Å; H509-I513 PolarHBondContact O-N 3.25Å; D510-I513 PolarHBondContact O-N 3.13Å; I513-R515 VanDerWaalsContact C-N 3.27Å; I513-R515 PolarHBondContact O-N 3.05Å; I513-D516 WeakPolarHBondContact O-CA 3.29Å; I513-D516 PolarHBondContact O-N 3.4Å; I513-L517 HydrophobicContact CG2-CD1 4.24Å; I513-L517 HydrophobicContact CG2-CD2 4.44Å; I513-L517 HydrophobicContact CG2-CG 4.09Å; I513-L517 WeakPolarHBondContact O-CG 3.36Å; I513-L517 PolarHBondContact O-N 2.9Å; I513-F537 HydrophobicContact CB-CD2 4.41Å; I513-F537 HydrophobicContact CB-CE2 4.45Å; I513-F537 HydrophobicContact CG2-CD2 3.71Å; I513-F537 HydrophobicContact CG2-CE2 4.21Å; I513-R541 HydrophobicContact CD1-CB 4.03Å; I513-Y552 HydrophobicContact CD1-CD2 4.21Å; I513-Y552 HydrophobicContact CD1-CG 4.3Å; I513-Y552 HydrophobicContact CG1-CD1 3.86Å; I513-Y552 HydrophobicContact CG1-CD2 3.53Å; I513-Y552 HydrophobicContact CG1-CE1 4.15Å; I513-Y552 HydrophobicContact CG1-CE2 3.84Å; I513-Y552 HydrophobicContact CG1-CG 3.53Å
514R93.3Very high92.1Very high101 Ų10161.5 Ų61.538%0.38131%0.312SS..Hα-helixtrans-55-37.4-178.9-75.3174.9-170.3118.219.4114D510 E511 F537D510-R514 WeakPolarHBondContact O-CG 3.29Å; D510-R514 PolarHBondContact O-N 3.32Å; D510-R514 IonicContact OD2-CZ 3.26Å; D510-R514 IonicContact OD2-NH1 2.69Å; D510-R514 IonicContact OD2-NH2 3.77Å; D510-R514 PolarHBondContact OD2-NH2 3.13Å; E511-R514 IonicContact OE1-CZ 3.05Å; E511-R514 IonicContact OE1-NH1 3.64Å; E511-R514 PolarHBondContact OE1-NH1 3.03Å; R514-F537 HydrophobicContact CG-CD2 4.46Å; R514-F537 HydrophobicContact CG-CE2 4.2Å
515R91.6Very high92Very high167 Ų16760 Ų6063%0.6331%0.306SS*.Hα-helixtrans-70.3-34.5176.4-72.3-179.1-68157.80112.6E511 V512 I513E511-R515 WeakPolarHBondContact O-CG 3.07Å; E511-R515 PolarHBondContact O-NE 3.03Å; V512-R515 PolarHBondContact O-N 3.31Å; I513-R515 VanDerWaalsContact C-N 3.27Å; I513-R515 PolarHBondContact O-N 3.05Å
516D91.4Very high92.1Very high4 Ų458.3 Ų58.32%0.02130%0.299CS..Hα-helixtrans-76.9-32.6176.9-95.119000113.2V512 I513 A518 R519 T520 Y552 Q554 G555 T557V512-D516 PolarHBondContact O-N 3.2Å; I513-D516 WeakPolarHBondContact O-CA 3.29Å; I513-D516 PolarHBondContact O-N 3.4Å; D516-A518 PolarHBondContact O-N 2.92Å; D516-R519 WeakPolarHBondContact O-CG 3.45Å; D516-R519 PolarHBondContact O-N 2.94Å; D516-R519 IonicContact OD1-CZ 3.27Å; D516-R519 IonicContact OD1-NE 3.75Å; D516-R519 PolarHBondContact OD1-NE 2.87Å; D516-R519 IonicContact OD1-NH2 2.83Å; D516-R519 PolarHBondContact OD1-NH2 2.8Å; D516-R519 IonicContact OD2-CZ 3.84Å; D516-R519 IonicContact OD2-NE 2.71Å; D516-R519 IonicContact OD2-NH2 3.39Å; D516-R519 PolarHBondContact OD2-NH2 3.36Å; D516-T520 WeakPolarHBondContact O-CB 3.46Å; D516-T520 PolarHBondContact O-N 3.42Å; D516-T520 VanDerWaalsContact O-N 3.08Å; D516-T520 PolarHBondContact O-OG1 3.06Å; D516-Y552 HydrophobicContact CB-CE1 4.31Å; D516-Y552 WeakPolarHBondContact CB-OH 3.36Å; D516-Y552 PolarHBondContact OD2-OH 2.79Å; D516-Q554 PolarHBondContact OD1-NE2 3.42Å; D516-Q554 WeakPolarHBondContact OD2-CA 3.41Å; D516-Q554 VanDerWaalsContact OD2-CG 3.32Å; D516-Q554 WeakPolarHBondContact OD2-CG 3.16Å; D516-G555 PolarHBondContact OD2-N 3.39Å; D516-T557 HydrophobicContact CB-CG2 4.4Å
517L93.4Very high92.1Very high13 Ų1352.5 Ų52.57%0.06826%0.261CS..Hα-helixtrans-54.5-47.5173.1-74.8-175.1000112.7I513 R519 T520 Q533 L536 F537 T557I513-L517 HydrophobicContact CG2-CD1 4.24Å; I513-L517 HydrophobicContact CG2-CD2 4.44Å; I513-L517 HydrophobicContact CG2-CG 4.09Å; I513-L517 WeakPolarHBondContact O-CG 3.36Å; I513-L517 PolarHBondContact O-N 2.9Å; L517-R519 PolarHBondContact O-N 3.45Å; L517-R519 VanDerWaalsContact O-N 3.12Å; L517-T520 PolarHBondContact O-N 3.16Å; L517-Q533 PolarHBondContact O-NE2 3.35Å; L517-L536 HydrophobicContact CD2-CB 3.81Å; L517-L536 HydrophobicContact CD2-CD2 3.51Å; L517-L536 HydrophobicContact CD2-CG 3.4Å; L517-F537 HydrophobicContact CD1-CB 3.71Å; L517-F537 HydrophobicContact CD1-CD2 3.9Å; L517-F537 HydrophobicContact CD1-CG 4.24Å; L517-T557 HydrophobicContact CD2-CG2 4.06Å
518A90.4Very high92Very high76 Ų7659.4 Ų59.463%0.62828%0.284SS*.THydrogen-bonded Turntrans-60.6-23.9-178.800000114.1D516D516-A518 PolarHBondContact O-N 2.92Å
519R91.5Very high91.7Very high94 Ų9455.6 Ų55.636%0.35527%0.272SS..THydrogen-bonded Turntrans-105.8-0.3177.864.6-178.2-164.592.110.6113.7S396 D516 L517 F558S396-R519 PolarHBondContact OG-O 3.25Å; D516-R519 WeakPolarHBondContact O-CG 3.45Å; D516-R519 PolarHBondContact O-N 2.94Å; D516-R519 IonicContact OD1-CZ 3.27Å; D516-R519 IonicContact OD1-NE 3.75Å; D516-R519 PolarHBondContact OD1-NE 2.87Å; D516-R519 IonicContact OD1-NH2 2.83Å; D516-R519 PolarHBondContact OD1-NH2 2.8Å; D516-R519 IonicContact OD2-CZ 3.84Å; D516-R519 IonicContact OD2-NE 2.71Å; D516-R519 IonicContact OD2-NH2 3.39Å; D516-R519 PolarHBondContact OD2-NH2 3.36Å; L517-R519 PolarHBondContact O-N 3.45Å; L517-R519 VanDerWaalsContact O-N 3.12Å; R519-F558 HydrophobicContact CG-CZ 4.5Å; R519-F558 WeakPolarHBondContact O-CE1 3.38Å
520T93Very high91.5Very high0 Ų062.3 Ų62.30%030%0.301CS..SBendtrans-93.9113.2179.5-57.60000110.8D516 L517 L536 T557 F558 A561D516-T520 WeakPolarHBondContact O-CB 3.46Å; D516-T520 PolarHBondContact O-N 3.42Å; D516-T520 VanDerWaalsContact O-N 3.08Å; D516-T520 PolarHBondContact O-OG1 3.06Å; L517-T520 PolarHBondContact O-N 3.16Å; T520-L536 HydrophobicContact CG2-CD2 3.71Å; T520-T557 WeakPolarHBondContact OG1-CB 3.42Å; T520-T557 PolarHBondContact OG1-OG1 3.23Å; T520-F558 HydrophobicContact CG2-CD1 3.84Å; T520-F558 HydrophobicContact CG2-CE1 4.29Å; T520-F558 HydrophobicContact CG2-CG 4.22Å; T520-A561 HydrophobicContact CG2-CB 3.74Å
521F93Very high91.3Very high0 Ų066.8 Ų66.80%032%0.324CS..SBendtrans50.140.9-179.9-64.1-0.1000115.8S396 G397 A523 H524 F527 F558 A561 V562 L565 T638 L643S396-F521 CarbonylContact O-C 3.6Å; S396-F521 WeakPolarHBondContact O-CA 3.38Å; S396-F521 WeakPolarHBondContact OG-CA 3.47Å; S396-F521 PolarHBondContact OG-N 3.46Å; G397-F521 VanDerWaalsContact N-CD1 3.25Å; F521-A523 PolarHBondContact O-N 2.87Å; F521-H524 HydrophobicContact CB-CB 4.25Å; F521-H524 PolarHBondContact O-N 2.72Å; F521-F527 HydrophobicContact CB-CB 4.31Å; F521-F527 HydrophobicContact CB-CD2 3.62Å; F521-F527 HydrophobicContact CB-CE2 4.3Å; F521-F527 HydrophobicContact CB-CG 4.21Å; F521-F527 AromaticContact CD2-CD2 3.95Å; F521-F527 HydrophobicContact CD2-CD2 3.95Å; F521-F527 AromaticContact CD2-CE2 3.75Å; F521-F527 HydrophobicContact CD2-CE2 3.75Å; F521-F527 HydrophobicContact CG-CD2 4.31Å; F521-F558 HydrophobicContact CD1-CD1 4.09Å; F521-F558 HydrophobicContact CE1-CB 4.5Å; F521-F558 AromaticContact CE1-CD1 3.98Å; F521-F558 HydrophobicContact CE1-CD1 3.98Å; F521-A561 HydrophobicContact CD2-CB 3.5Å; F521-A561 HydrophobicContact CE2-CB 3.62Å; F521-A561 HydrophobicContact CG-CB 4.14Å; F521-A561 HydrophobicContact CZ-CB 4.34Å; F521-V562 HydrophobicContact CE2-CG2 3.75Å; F521-V562 HydrophobicContact CZ-CG2 3.56Å; F521-L565 HydrophobicContact CD2-CD1 4.24Å; F521-L565 HydrophobicContact CE2-CD1 4.16Å; F521-T638 WeakPolarHBondContact CE1-O 3.36Å; F521-L643 HydrophobicContact CD2-CD2 4.33Å; F521-L643 HydrophobicContact CE1-CD2 4.35Å; F521-L643 HydrophobicContact CE2-CD2 3.7Å; F521-L643 HydrophobicContact CZ-CD2 3.71Å
522P91.2Very high91.2Very high36 Ų3661.1 Ų61.123%0.23430%0.297CS..THydrogen-bonded Turntrans-65.4-12.8-177.430.3-37000113.7M395 S396 R528M395-P522 HydrophobicContact CE-CB 4.1Å; M395-P522 HydrophobicContact CE-CG 3.75Å; S396-P522 WeakPolarHBondContact OG-CD 3.29Å; P522-R528 WeakPolarHBondContact O-CG 3.4Å; P522-R528 PolarHBondContact O-NE 2.9Å
523A89.3Confident91.3Very high19 Ų1960.6 Ų60.616%0.15729%0.291CS..THydrogen-bonded Turntrans-83.3-20173.100000114M395 N398 F521M395-A523 HydrophobicContact CB-CB 4.11Å; N398-A523 WeakPolarHBondContact OD1-CB 3.29Å; F521-A523 PolarHBondContact O-N 2.87Å
524H90.9Very high91.3Very high25 Ų2564.8 Ų64.812%0.11631%0.311CS..SBendtrans-88.7130-176.6-168.8-79.5000111.2F521 F526 F527 R528 L565F521-H524 HydrophobicContact CB-CB 4.25Å; F521-H524 PolarHBondContact O-N 2.72Å; H524-F526 PolarHBondContact ND1-N 3.09Å; H524-F526 PolarHBondContact O-N 3.35Å; H524-F527 HydrophobicContact CB-CD2 4.28Å; H524-F527 PolarHBondContact O-N 2.85Å; H524-R528 PolarHBondContact O-N 3.42Å; H524-R528 VanDerWaalsContact O-N 3.16Å; H524-L565 WeakPolarHBondContact CE1-CD2 3.36Å
525S90.2Very high91.4Very high80 Ų8061.1 Ų61.156%0.55930%0.301SS*.Hα-helixtrans-51.2-50.8-174.751.50000113.5F527 R528 D529S525-F527 PolarHBondContact O-N 3.25Å; S525-F527 VanDerWaalsContact O-N 3.08Å; S525-R528 WeakPolarHBondContact O-CA 3.3Å; S525-R528 WeakPolarHBondContact O-CB 3.32Å; S525-R528 PolarHBondContact O-N 3.27Å; S525-D529 PolarHBondContact O-N 2.88Å; S525-D529 VanDerWaalsContact O-N 3.15Å
526F91.3Very high91.7Very high62 Ų6253.2 Ų53.227%0.27227%0.271SS..Hα-helixtrans-54.2-32-179.8-176.4-114.1000114.4H524 G532 L564 L565H524-F526 PolarHBondContact ND1-N 3.09Å; H524-F526 PolarHBondContact O-N 3.35Å; F526-G532 VanDerWaalsContact O-CA 3.26Å; F526-G532 WeakPolarHBondContact O-CA 3.31Å; F526-G532 PolarHBondContact O-N 2.91Å; F526-L564 HydrophobicContact CE1-CB 4.46Å; F526-L565 HydrophobicContact CB-CD2 4.38Å; F526-L565 HydrophobicContact CD1-CD2 4.17Å
527F92.6Very high91.9Very high3 Ų353.8 Ų53.81%0.01327%0.274CS..Hα-helixtrans-98.1-0.8177.9-61-68.6000113.5F521 H524 S525 Q533 L536 A561 L564 L565F521-F527 HydrophobicContact CB-CB 4.31Å; F521-F527 HydrophobicContact CB-CD2 3.62Å; F521-F527 HydrophobicContact CB-CE2 4.3Å; F521-F527 HydrophobicContact CB-CG 4.21Å; F521-F527 AromaticContact CD2-CD2 3.95Å; F521-F527 HydrophobicContact CD2-CD2 3.95Å; F521-F527 AromaticContact CD2-CE2 3.75Å; F521-F527 HydrophobicContact CD2-CE2 3.75Å; F521-F527 HydrophobicContact CG-CD2 4.31Å; H524-F527 HydrophobicContact CB-CD2 4.28Å; H524-F527 PolarHBondContact O-N 2.85Å; S525-F527 PolarHBondContact O-N 3.25Å; S525-F527 VanDerWaalsContact O-N 3.08Å; F527-Q533 VanDerWaalsContact O-CG 3.25Å; F527-Q533 WeakPolarHBondContact O-CG 3.45Å; F527-Q533 PolarHBondContact O-NE2 3.16Å; F527-L536 HydrophobicContact CD1-CB 4.43Å; F527-L536 HydrophobicContact CD1-CD2 4.13Å; F527-L536 HydrophobicContact CE1-CB 4.11Å; F527-L536 HydrophobicContact CE1-CD2 4.14Å; F527-A561 HydrophobicContact CE1-CB 4.21Å; F527-A561 HydrophobicContact CE2-CB 3.89Å; F527-A561 HydrophobicContact CZ-CB 3.67Å; F527-A561 WeakPolarHBondContact CZ-O 3.47Å; F527-L564 HydrophobicContact CE1-CB 4.45Å; F527-L564 HydrophobicContact CE1-CD1 4.4Å; F527-L564 HydrophobicContact CZ-CB 4.06Å; F527-L565 HydrophobicContact CD2-CD2 4.4Å; F527-L565 HydrophobicContact CE2-CD1 4.25Å; F527-L565 HydrophobicContact CE2-CD2 3.64Å; F527-L565 HydrophobicContact CE2-CG 3.79Å; F527-L565 HydrophobicContact CZ-CD2 4.31Å; F527-L565 HydrophobicContact CZ-CG 4.34Å
528R89.1Confident92.1Very high162 Ų16254.9 Ų54.961%0.61128%0.279SS*.Hα-helixtrans-79-32.1158.9-65.5178.2176.1174.8-1.3110.7P522 H524 S525P522-R528 WeakPolarHBondContact O-CG 3.4Å; P522-R528 PolarHBondContact O-NE 2.9Å; H524-R528 PolarHBondContact O-N 3.42Å; H524-R528 VanDerWaalsContact O-N 3.16Å; S525-R528 WeakPolarHBondContact O-CA 3.3Å; S525-R528 WeakPolarHBondContact O-CB 3.32Å; S525-R528 PolarHBondContact O-N 3.27Å
529D87.4Confident92.4Very high95 Ų9551.2 Ų51.251%0.50825%0.249SC..SBendtrans-75144.5177.2-63.6-34.2000112.5S525 I531 G532 Q533S525-D529 PolarHBondContact O-N 2.88Å; S525-D529 VanDerWaalsContact O-N 3.15Å; D529-I531 PolarHBondContact O-N 3.27Å; D529-I531 VanDerWaalsContact O-N 3.13Å; D529-G532 PolarHBondContact O-N 3.39Å; D529-Q533 PolarHBondContact O-N 3.45Å
530K88.6Confident92.6Very high171 Ų17146.8 Ų46.874%0.74323%0.232SC*.Hα-helixtrans-57.2-30.5178.3-171.8176.5177.6-1790112.8E534K530-E534 VanDerWaalsContact O-CB 3.29Å; K530-E534 WeakPolarHBondContact O-CB 3.49Å; K530-E534 PolarHBondContact O-N 3.35Å
531I89.9Confident92.8Very high126 Ų12648.6 Ų48.665%0.64624%0.239SC*.Hα-helixtrans-67.6-45.5-177.1-60.6174.9000111.6D529 S535D529-I531 PolarHBondContact O-N 3.27Å; D529-I531 VanDerWaalsContact O-N 3.13Å; I531-S535 WeakPolarHBondContact O-CB 3.26Å; I531-S535 PolarHBondContact O-N 3.13Å; I531-S535 PolarHBondContact O-OG 3.35Å
532G90.8Very high93Very high0 Ų048.6 Ų48.60%024%0.239CC..Hα-helixtrans-71.8-36177.700000112.2F526 D529 S535 L536F526-G532 VanDerWaalsContact O-CA 3.26Å; F526-G532 WeakPolarHBondContact O-CA 3.31Å; F526-G532 PolarHBondContact O-N 2.91Å; D529-G532 PolarHBondContact O-N 3.39Å; G532-S535 PolarHBondContact O-N 2.84Å; G532-L536 VanDerWaalsContact O-CB 3.31Å; G532-L536 WeakPolarHBondContact O-CB 3.36Å; G532-L536 PolarHBondContact O-N 3.28Å
533Q92.9Very high93.2Very high38 Ų3846.9 Ų46.918%0.17823%0.228CC..Hα-helixtrans-63.2-44.5173.2-74-67.4-8.300112.6L517 F527 D529 L536 F537L517-Q533 PolarHBondContact O-NE2 3.35Å; F527-Q533 VanDerWaalsContact O-CG 3.25Å; F527-Q533 WeakPolarHBondContact O-CG 3.45Å; F527-Q533 PolarHBondContact O-NE2 3.16Å; D529-Q533 PolarHBondContact O-N 3.45Å; Q533-L536 PolarHBondContact O-N 2.81Å; Q533-F537 WeakPolarHBondContact O-CB 3.35Å; Q533-F537 PolarHBondContact O-N 2.93Å
534E95.1Very high93.5Very high88 Ų8846.1 Ų46.141%0.41122%0.222SC..Hα-helixtrans-63.4-44174.4-170.965.4-139.300111.2K530 L536 F537 L538K530-E534 VanDerWaalsContact O-CB 3.29Å; K530-E534 WeakPolarHBondContact O-CB 3.49Å; K530-E534 PolarHBondContact O-N 3.35Å; E534-L536 VanDerWaalsContact C-N 3.3Å; E534-L536 PolarHBondContact O-N 3.39Å; E534-F537 WeakPolarHBondContact O-CB 3.49Å; E534-F537 PolarHBondContact O-N 3.25Å; E534-L538 HydrophobicContact CG-CD1 4.31Å; E534-L538 VanDerWaalsContact O-CG 3.29Å; E534-L538 WeakPolarHBondContact O-CG 3.44Å; E534-L538 PolarHBondContact O-N 3.38Å
535S96.4Very high93.8Very high25 Ų2546.1 Ų46.118%0.17522%0.223CC..Hα-helixtrans-59.6-41.7176.6-570000111.8I531 G532 L538 V539I531-S535 WeakPolarHBondContact O-CB 3.26Å; I531-S535 PolarHBondContact O-N 3.13Å; I531-S535 PolarHBondContact O-OG 3.35Å; G532-S535 PolarHBondContact O-N 2.84Å; S535-L538 PolarHBondContact O-N 2.99Å; S535-V539 WeakPolarHBondContact O-CG2 3.48Å; S535-V539 PolarHBondContact O-N 3.3Å; S535-V539 VanDerWaalsContact O-N 3.11Å
536L96.8Very high94Very high0 Ų046.8 Ų46.80%021%0.213CC..Hα-helixtrans-71-36.5178.2-174.660.8000112.6L517 T520 F527 G532 Q533 E534 S540 T557 A560 A561 L564L517-L536 HydrophobicContact CD2-CB 3.81Å; L517-L536 HydrophobicContact CD2-CD2 3.51Å; L517-L536 HydrophobicContact CD2-CG 3.4Å; T520-L536 HydrophobicContact CG2-CD2 3.71Å; F527-L536 HydrophobicContact CD1-CB 4.43Å; F527-L536 HydrophobicContact CD1-CD2 4.13Å; F527-L536 HydrophobicContact CE1-CB 4.11Å; F527-L536 HydrophobicContact CE1-CD2 4.14Å; G532-L536 VanDerWaalsContact O-CB 3.31Å; G532-L536 WeakPolarHBondContact O-CB 3.36Å; G532-L536 PolarHBondContact O-N 3.28Å; Q533-L536 PolarHBondContact O-N 2.81Å; E534-L536 VanDerWaalsContact C-N 3.3Å; E534-L536 PolarHBondContact O-N 3.39Å; L536-S540 VanDerWaalsContact O-CB 3.29Å; L536-S540 WeakPolarHBondContact O-CB 3.45Å; L536-S540 PolarHBondContact O-N 3.11Å; L536-S540 VanDerWaalsContact O-N 3.09Å; L536-S540 PolarHBondContact O-OG 3.31Å; L536-T557 WeakPolarHBondContact CD1-O 3.37Å; L536-T557 HydrophobicContact CG-CG2 4.36Å; L536-A560 HydrophobicContact CD1-CB 3.71Å; L536-A561 HydrophobicContact CD1-CB 4.02Å; L536-A561 HydrophobicContact CD2-CB 4.13Å; L536-L564 HydrophobicContact CB-CD1 3.9Å; L536-L564 HydrophobicContact CD1-CD1 3.92Å
537F96.7Very high94.1Very high17 Ų1744.3 Ų44.38%0.07520%0.203CC..Hα-helixtrans-58.4-50.9170.5-179-112.1000110.7D510 I513 R514 L517 Q533 E534 S540 R541D510-F537 WeakPolarHBondContact OD1-CZ 3.31Å; I513-F537 HydrophobicContact CB-CD2 4.41Å; I513-F537 HydrophobicContact CB-CE2 4.45Å; I513-F537 HydrophobicContact CG2-CD2 3.71Å; I513-F537 HydrophobicContact CG2-CE2 4.21Å; R514-F537 HydrophobicContact CG-CD2 4.46Å; R514-F537 HydrophobicContact CG-CE2 4.2Å; L517-F537 HydrophobicContact CD1-CB 3.71Å; L517-F537 HydrophobicContact CD1-CD2 3.9Å; L517-F537 HydrophobicContact CD1-CG 4.24Å; Q533-F537 WeakPolarHBondContact O-CB 3.35Å; Q533-F537 PolarHBondContact O-N 2.93Å; E534-F537 WeakPolarHBondContact O-CB 3.49Å; E534-F537 PolarHBondContact O-N 3.25Å; F537-S540 PolarHBondContact O-N 3.39Å; F537-R541 WeakPolarHBondContact O-CB 3.41Å; F537-R541 PolarHBondContact O-N 3.43Å
538L96.7Very high94.1Very high35 Ų3551 Ų5118%0.18324%0.235CC..Hα-helixtrans-62.6-45.5-177.4-68.2173.7000112.9Y499 I503 E534 S535 R541 A542 V569Y499-L538 WeakPolarHBondContact OH-CB 3.4Å; I503-L538 HydrophobicContact CB-CD2 4.45Å; I503-L538 HydrophobicContact CG2-CD2 4.19Å; E534-L538 HydrophobicContact CG-CD1 4.31Å; E534-L538 VanDerWaalsContact O-CG 3.29Å; E534-L538 WeakPolarHBondContact O-CG 3.44Å; E534-L538 PolarHBondContact O-N 3.38Å; S535-L538 PolarHBondContact O-N 2.99Å; L538-R541 VanDerWaalsContact CD2-NH2 3.28Å; L538-A542 VanDerWaalsContact O-CB 3.25Å; L538-A542 WeakPolarHBondContact O-CB 3.46Å; L538-A542 PolarHBondContact O-N 3.06Å; L538-V569 HydrophobicContact CB-CG2 4.43Å
539V96.6Very high94.2Very high0 Ų049.5 Ų49.50%024%0.235CC..Hα-helixtrans-61.8-48175.8174.30000111.2S535 R541 A542 Y543 A560 L564 V569 A572 F573 L576S535-V539 WeakPolarHBondContact O-CG2 3.48Å; S535-V539 PolarHBondContact O-N 3.3Å; S535-V539 VanDerWaalsContact O-N 3.11Å; V539-R541 PolarHBondContact O-N 3.15Å; V539-A542 PolarHBondContact O-N 3.08Å; V539-Y543 PolarHBondContact O-N 3.25Å; V539-A560 HydrophobicContact CG1-CB 4Å; V539-L564 HydrophobicContact CG2-CD1 4.19Å; V539-L564 HydrophobicContact CG2-CD2 4.13Å; V539-L564 HydrophobicContact CG2-CG 4.38Å; V539-V569 HydrophobicContact CG2-CG2 3.5Å; V539-A572 HydrophobicContact CG2-CB 4.19Å; V539-F573 HydrophobicContact CG1-CB 4.41Å; V539-L576 HydrophobicContact CG1-CD2 3.71Å
540S96.6Very high94.4Very high0 Ų045.8 Ų45.80%022%0.215CC..Hα-helixtrans-65-40.2-177.3-55.20000111.9L536 F537 A544 T557L536-S540 VanDerWaalsContact O-CB 3.29Å; L536-S540 WeakPolarHBondContact O-CB 3.45Å; L536-S540 PolarHBondContact O-N 3.11Å; L536-S540 VanDerWaalsContact O-N 3.09Å; L536-S540 PolarHBondContact O-OG 3.31Å; F537-S540 PolarHBondContact O-N 3.39Å; S540-A544 WeakPolarHBondContact O-CB 3.33Å; S540-A544 PolarHBondContact O-N 3.28Å; S540-T557 VanDerWaalsContact OG-CG2 3.31Å; S540-T557 WeakPolarHBondContact OG-CG2 3.42Å
541R96.3Very high94.6Very high39 Ų3937.8 Ų37.815%0.14718%0.181CC..Hα-helixtrans-68.9-42.9177.1-172.4-179.864.5156.56.3111.9I503 C507 D510 I513 F537 L538 V539 A544 L545I503-R541 PolarHBondContact O-NH2 2.98Å; C507-R541 HydrophobicContact CB-CG 3.62Å; D510-R541 VanDerWaalsContact OD1-CD 3.26Å; D510-R541 WeakPolarHBondContact OD1-CD 3.31Å; I513-R541 HydrophobicContact CD1-CB 4.03Å; F537-R541 WeakPolarHBondContact O-CB 3.41Å; F537-R541 PolarHBondContact O-N 3.43Å; L538-R541 VanDerWaalsContact CD2-NH2 3.28Å; V539-R541 PolarHBondContact O-N 3.15Å; R541-A544 PolarHBondContact O-N 2.89Å; R541-L545 HydrophobicContact CG-CD1 4.33Å; R541-L545 WeakPolarHBondContact O-CG 3.43Å; R541-L545 PolarHBondContact O-N 3.16Å
542A97Very high94.7Very high0 Ų032.4 Ų32.40%015%0.152CC..Hα-helixtrans-63.1-42.1175.600000111.3Y499 L502 I503 L538 V539 L545 Y546 F573Y499-A542 HydrophobicContact CD2-CB 3.54Å; Y499-A542 HydrophobicContact CE2-CB 3.86Å; L502-A542 HydrophobicContact CB-CB 4.28Å; I503-A542 HydrophobicContact CG2-CB 4.26Å; L538-A542 VanDerWaalsContact O-CB 3.25Å; L538-A542 WeakPolarHBondContact O-CB 3.46Å; L538-A542 PolarHBondContact O-N 3.06Å; V539-A542 PolarHBondContact O-N 3.08Å; A542-L545 PolarHBondContact O-N 3.18Å; A542-Y546 WeakPolarHBondContact O-CB 3.34Å; A542-Y546 PolarHBondContact O-N 2.91Å; A542-F573 HydrophobicContact CB-CD2 3.63Å; A542-F573 HydrophobicContact CB-CE2 3.7Å
543Y96.6Very high94.5Very high0 Ų033.4 Ų33.40%016%0.16CC..Hα-helixtrans-60.8-48175.2-177.7-82000112V539 L545 Y546 D547 V550 L556 L576 V577 N580V539-Y543 PolarHBondContact O-N 3.25Å; Y543-L545 PolarHBondContact O-N 3.03Å; Y543-L545 VanDerWaalsContact O-N 3.13Å; Y543-Y546 WeakPolarHBondContact O-CB 3.49Å; Y543-Y546 PolarHBondContact O-N 3.16Å; Y543-D547 HydrophobicContact CE1-CB 4.13Å; Y543-D547 PolarHBondContact O-N 3.05Å; Y543-D547 PolarHBondContact OH-OD2 2.98Å; Y543-V550 HydrophobicContact CE1-CG1 4.36Å; Y543-L556 HydrophobicContact CD1-CD2 3.33Å; Y543-L556 HydrophobicContact CE1-CD1 4.43Å; Y543-L556 HydrophobicContact CE1-CD2 3.82Å; Y543-L556 HydrophobicContact CG-CD2 3.88Å; Y543-L576 HydrophobicContact CD2-CD2 3.79Å; Y543-L576 HydrophobicContact CD2-CG 3.71Å; Y543-L576 HydrophobicContact CE2-CG 4.23Å; Y543-L576 HydrophobicContact CG-CD2 3.94Å; Y543-L576 HydrophobicContact CG-CG 4.34Å; Y543-V577 HydrophobicContact CD2-CG2 4.11Å; Y543-V577 HydrophobicContact CE2-CG2 4.46Å; Y543-N580 HydrophobicContact CE2-CB 3.76Å; Y543-N580 WeakPolarHBondContact CE2-ND2 3.41Å; Y543-N580 WeakPolarHBondContact OH-CB 3.34Å
544A96.2Very high94.1Very high3 Ų338 Ų383%0.02518%0.181CC..Hα-helixtrans-64.4-17.2-17900000114.3H509 S540 R541H509-A544 HydrophobicContact CB-CB 4.44Å; S540-A544 WeakPolarHBondContact O-CB 3.33Å; S540-A544 PolarHBondContact O-N 3.28Å; R541-A544 PolarHBondContact O-N 2.89Å
545L95.9Very high93.4Very high24 Ų2433.9 Ų33.913%0.12616%0.162CC..Hα-helixtrans-97-13.4172-69.3170.5000113.2L502 K505 P506 C507 R541 A542 Y543L502-L545 HydrophobicContact CD2-CB 3.68Å; L502-L545 WeakPolarHBondContact CD2-O 3.1Å; L502-L545 VanDerWaalsContact O-CD1 3.3Å; L502-L545 WeakPolarHBondContact O-CD1 3.41Å; K505-L545 HydrophobicContact CB-CD1 4.09Å; P506-L545 WeakPolarHBondContact O-CD2 3.34Å; C507-L545 HydrophobicContact CB-CD1 4.06Å; C507-L545 HydrophobicContact CB-CD2 4.05Å; C507-L545 HydrophobicContact CB-CG 4.09Å; R541-L545 HydrophobicContact CG-CD1 4.33Å; R541-L545 WeakPolarHBondContact O-CG 3.43Å; R541-L545 PolarHBondContact O-N 3.16Å; A542-L545 PolarHBondContact O-N 3.18Å; Y543-L545 PolarHBondContact O-N 3.03Å; Y543-L545 VanDerWaalsContact O-N 3.13Å
546Y95.5Very high93Very high94 Ų9433.1 Ų33.137%0.36916%0.156SC..Hα-helixtrans-88.2-50.4178.5179.9-86.2000111.1L495 L502 A542 Y543 F573 V577L495-Y546 HydrophobicContact CD2-CE2 3.63Å; L502-Y546 HydrophobicContact CD1-CD2 4.05Å; L502-Y546 HydrophobicContact CD1-CG 4.49Å; A542-Y546 WeakPolarHBondContact O-CB 3.34Å; A542-Y546 PolarHBondContact O-N 2.91Å; Y543-Y546 WeakPolarHBondContact O-CB 3.49Å; Y543-Y546 PolarHBondContact O-N 3.16Å; Y546-F573 AromaticContact CD2-CZ 3.92Å; Y546-F573 HydrophobicContact CD2-CZ 3.92Å; Y546-F573 HydrophobicContact CG-CZ 4.08Å; Y546-V577 HydrophobicContact CD1-CG1 4Å; Y546-V577 HydrophobicContact CD1-CG2 3.89Å; Y546-V577 HydrophobicContact CE1-CB 4.46Å; Y546-V577 HydrophobicContact CE1-CG1 3.41Å; Y546-V577 VanDerWaalsContact CE1-CG1 3.41Å; Y546-V577 HydrophobicContact CE1-CG2 4.16Å; Y546-V577 HydrophobicContact CG-CG2 4.17Å
547D93.1Very high92.9Very high11 Ų1133.1 Ų33.16%0.05916%0.156CC..  trans-100.979.8175.3-167.9-20.8000108.7Y543 E549 V550 G551 R586Y543-D547 HydrophobicContact CE1-CB 4.13Å; Y543-D547 PolarHBondContact O-N 3.05Å; Y543-D547 PolarHBondContact OH-OD2 2.98Å; D547-E549 PolarHBondContact O-N 3.24Å; D547-E549 PolarHBondContact OD1-N 3.12Å; D547-V550 HydrophobicContact CB-CB 4.39Å; D547-V550 PolarHBondContact O-N 3.45Å; D547-V550 PolarHBondContact OD1-N 3.09Å; D547-V550 WeakPolarHBondContact OD2-CG2 3.42Å; D547-G551 WeakPolarHBondContact O-CA 3.36Å; D547-G551 PolarHBondContact O-N 3.28Å; D547-R586 VanDerWaalsContact CG-NH2 3.3Å; D547-R586 IonicContact OD1-CZ 3.51Å; D547-R586 IonicContact OD1-NH2 2.7Å; D547-R586 PolarHBondContact OD1-NH2 3.34Å; D547-R586 IonicContact OD2-CZ 2.83Å; D547-R586 IonicContact OD2-NE 3.7Å; D547-R586 PolarHBondContact OD2-NE 2.85Å; D547-R586 IonicContact OD2-NH2 2.94Å; D547-R586 PolarHBondContact OD2-NH2 3.38Å
548E92.1Very high92.8Very high144 Ų14432.6 Ų32.667%0.67315%0.154SC*.THydrogen-bonded Turntrans-64.4-20.6-178.2-65.2-171.1-179.800113.5
549E91.8Very high92.7Very high130 Ų13031.4 Ų31.461%0.60715%0.147SC*.THydrogen-bonded Turntrans-71-41.6177.6-165.1-169.2-174.300111D547 R586 L590D547-E549 PolarHBondContact O-N 3.24Å; D547-E549 PolarHBondContact OD1-N 3.12Å; E549-R586 IonicContact OE2-CZ 2.73Å; E549-R586 IonicContact OE2-NH1 2.71Å; E549-R586 PolarHBondContact OE2-NH1 3.45Å; E549-R586 VanDerWaalsContact OE2-NH1 3.13Å; E549-R586 IonicContact OE2-NH2 3.46Å; E549-R586 PolarHBondContact OE2-NH2 3.02Å; E549-L590 HydrophobicContact CB-CD2 4.27Å; E549-L590 HydrophobicContact CG-CD2 3.63Å
550V91.6Very high92.8Very high17 Ų1731.4 Ų31.410%0.10315%0.147CC..THydrogen-bonded Turntrans-83.1-40.9173.5175.90000111.5Y543 D547 C553 R586 F589 L590Y543-V550 HydrophobicContact CE1-CG1 4.36Å; D547-V550 HydrophobicContact CB-CB 4.39Å; D547-V550 PolarHBondContact O-N 3.45Å; D547-V550 PolarHBondContact OD1-N 3.09Å; D547-V550 WeakPolarHBondContact OD2-CG2 3.42Å; V550-C553 VanDerWaalsContact CG1-SG 3.53Å; V550-C553 PolarHBondContact O-SG 3.32Å; V550-C553 VanDerWaalsContact O-SG 3.33Å; V550-R586 HydrophobicContact CG2-CB 4.06Å; V550-F589 HydrophobicContact CG1-CB 3.88Å; V550-F589 HydrophobicContact CG1-CD2 4.23Å; V550-F589 HydrophobicContact CG1-CG 4.21Å; V550-L590 HydrophobicContact CG2-CD2 3.68Å; V550-L590 HydrophobicContact CG2-CG 4.15Å
551G92.3Very high92.8Very high2 Ų231.4 Ų31.42%0.02115%0.147CC..  trans61.8-144.2-169.500000112.5D547D547-G551 WeakPolarHBondContact O-CA 3.36Å; D547-G551 PolarHBondContact O-N 3.28Å
552Y92.4Very high92.7Very high13 Ų1329.6 Ų29.65%0.05114%0.14CC..SBendtrans-94.1120.2168.1-176-100.9000111.4H509 V512 I513 D516 L556 T557H509-Y552 HydrophobicContact CB-CG 4.44Å; V512-Y552 HydrophobicContact CB-CD1 3.99Å; V512-Y552 HydrophobicContact CB-CE1 4.42Å; V512-Y552 HydrophobicContact CG1-CD1 3.76Å; V512-Y552 HydrophobicContact CG1-CE1 3.96Å; I513-Y552 HydrophobicContact CD1-CD2 4.21Å; I513-Y552 HydrophobicContact CD1-CG 4.3Å; I513-Y552 HydrophobicContact CG1-CD1 3.86Å; I513-Y552 HydrophobicContact CG1-CD2 3.53Å; I513-Y552 HydrophobicContact CG1-CE1 4.15Å; I513-Y552 HydrophobicContact CG1-CE2 3.84Å; I513-Y552 HydrophobicContact CG1-CG 3.53Å; D516-Y552 HydrophobicContact CB-CE1 4.31Å; D516-Y552 WeakPolarHBondContact CB-OH 3.36Å; D516-Y552 PolarHBondContact OD2-OH 2.79Å; Y552-L556 HydrophobicContact CD2-CB 4.49Å; Y552-L556 HydrophobicContact CD2-CD2 4.12Å; Y552-L556 HydrophobicContact CE2-CB 3.99Å; Y552-L556 HydrophobicContact CE2-CD2 4.27Å; Y552-T557 HydrophobicContact CE2-CG2 4.06Å; Y552-T557 WeakPolarHBondContact OH-CG2 3.45Å; Y552-T557 PolarHBondContact OH-OG1 3Å
553C86.5Confident92.7Very high22 Ų2229.6 Ų29.615%0.14914%0.14CC..  trans-107.2144.5172.9-58.80000112.3V550 G555 L556 F589V550-C553 VanDerWaalsContact CG1-SG 3.53Å; V550-C553 PolarHBondContact O-SG 3.32Å; V550-C553 VanDerWaalsContact O-SG 3.33Å; C553-G555 PolarHBondContact O-N 3.14Å; C553-L556 WeakPolarHBondContact O-CB 3.43Å; C553-L556 PolarHBondContact O-N 3.1Å; C553-L556 VanDerWaalsContact O-N 3.15Å; C553-F589 HydrophobicContact CB-CB 4.41Å; C553-F589 HydrophobicContact CB-CD1 3.19Å; C553-F589 HydrophobicContact CB-CE1 3.4Å; C553-F589 VanDerWaalsContact CB-CE1 3.4Å; C553-F589 HydrophobicContact CB-CG 3.85Å; C553-F589 HydrophobicContact CB-CZ 4.24Å; C553-F589 VanDerWaalsContact SG-CB 3.6Å; C553-F589 VanDerWaalsContact SG-CD1 3.56Å
554Q83.4Confident92.7Very high133 Ų13330.3 Ų30.362%0.62114%0.144SC*.THydrogen-bonded Turntrans-60.3123.1-175.5-172.2172.627.400111.4D516D516-Q554 PolarHBondContact OD1-NE2 3.42Å; D516-Q554 WeakPolarHBondContact OD2-CA 3.41Å; D516-Q554 VanDerWaalsContact OD2-CG 3.32Å; D516-Q554 WeakPolarHBondContact OD2-CG 3.16Å
555G81.9Confident92.6Very high2 Ų230.8 Ų30.82%0.02115%0.146CC..THydrogen-bonded Turntrans95-3.7-17900000116.2D516 C553 T557 F558D516-G555 PolarHBondContact OD2-N 3.39Å; C553-G555 PolarHBondContact O-N 3.14Å; G555-T557 PolarHBondContact O-N 3.35Å; G555-F558 WeakPolarHBondContact O-CD2 3.38Å; G555-F558 PolarHBondContact O-N 2.92Å
556L87.7Confident92.4Very high9 Ų930.9 Ų30.95%0.04715%0.146CC..Hα-helixtrans-56.6-32.5172.7-176.273.5000112.3Y543 Y552 C553 F558 F559 A560 L576Y543-L556 HydrophobicContact CD1-CD2 3.33Å; Y543-L556 HydrophobicContact CE1-CD1 4.43Å; Y543-L556 HydrophobicContact CE1-CD2 3.82Å; Y543-L556 HydrophobicContact CG-CD2 3.88Å; Y552-L556 HydrophobicContact CD2-CB 4.49Å; Y552-L556 HydrophobicContact CD2-CD2 4.12Å; Y552-L556 HydrophobicContact CE2-CB 3.99Å; Y552-L556 HydrophobicContact CE2-CD2 4.27Å; C553-L556 WeakPolarHBondContact O-CB 3.43Å; C553-L556 PolarHBondContact O-N 3.1Å; C553-L556 VanDerWaalsContact O-N 3.15Å; L556-F558 VanDerWaalsContact C-N 3.28Å; L556-F558 PolarHBondContact O-N 2.83Å; L556-F559 PolarHBondContact O-N 2.86Å; L556-A560 PolarHBondContact O-N 3.2Å; L556-L576 HydrophobicContact CD1-CD1 4.11Å
557T94Very high92.3Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-58.2-33.2178.843.80000113.6D516 L517 T520 L536 S540 Y552 G555 F559 A560 A561D516-T557 HydrophobicContact CB-CG2 4.4Å; L517-T557 HydrophobicContact CD2-CG2 4.06Å; T520-T557 WeakPolarHBondContact OG1-CB 3.42Å; T520-T557 PolarHBondContact OG1-OG1 3.23Å; L536-T557 WeakPolarHBondContact CD1-O 3.37Å; L536-T557 HydrophobicContact CG-CG2 4.36Å; S540-T557 VanDerWaalsContact OG-CG2 3.31Å; S540-T557 WeakPolarHBondContact OG-CG2 3.42Å; Y552-T557 HydrophobicContact CE2-CG2 4.06Å; Y552-T557 WeakPolarHBondContact OH-CG2 3.45Å; Y552-T557 PolarHBondContact OH-OG1 3Å; G555-T557 PolarHBondContact O-N 3.35Å; T557-F559 PolarHBondContact O-N 3Å; T557-A560 PolarHBondContact O-N 3.23Å; T557-A561 VanDerWaalsContact O-CB 3.3Å; T557-A561 WeakPolarHBondContact O-CB 3.07Å; T557-A561 PolarHBondContact O-N 2.86Å
558F95.2Very high92.2Very high6 Ų630.1 Ų30.13%0.02615%0.153CC..Hα-helixtrans-67-37.8-176.2-62.9-84.1000112.3S396 R519 T520 F521 G555 L556 V562 T635 T638 A639S396-F558 WeakPolarHBondContact OG-CE1 3.39Å; R519-F558 HydrophobicContact CG-CZ 4.5Å; R519-F558 WeakPolarHBondContact O-CE1 3.38Å; T520-F558 HydrophobicContact CG2-CD1 3.84Å; T520-F558 HydrophobicContact CG2-CE1 4.29Å; T520-F558 HydrophobicContact CG2-CG 4.22Å; F521-F558 HydrophobicContact CD1-CD1 4.09Å; F521-F558 HydrophobicContact CE1-CB 4.5Å; F521-F558 AromaticContact CE1-CD1 3.98Å; F521-F558 HydrophobicContact CE1-CD1 3.98Å; G555-F558 WeakPolarHBondContact O-CD2 3.38Å; G555-F558 PolarHBondContact O-N 2.92Å; L556-F558 VanDerWaalsContact C-N 3.28Å; L556-F558 PolarHBondContact O-N 2.83Å; F558-V562 PolarHBondContact O-N 3.23Å; F558-T635 HydrophobicContact CD2-CG2 4.14Å; F558-T638 WeakPolarHBondContact CB-OG1 3.36Å; F558-A639 HydrophobicContact CD1-CB 3.92Å; F558-A639 HydrophobicContact CD2-CB 3.83Å; F558-A639 HydrophobicContact CE1-CB 3.99Å; F558-A639 HydrophobicContact CE2-CB 3.95Å; F558-A639 HydrophobicContact CG-CB 3.85Å; F558-A639 HydrophobicContact CZ-CB 4.03Å
559F95.1Very high92.3Very high11 Ų1125 Ų255%0.04813%0.131CC..Hα-helixtrans-71.4-43.8174.3-168.8-98.3000111.2L556 T557 A561 V562 L563 L576 V579 L636 T638 V650 F653L556-F559 PolarHBondContact O-N 2.86Å; T557-F559 PolarHBondContact O-N 3Å; F559-A561 PolarHBondContact O-N 2.89Å; F559-V562 WeakPolarHBondContact O-CB 3.42Å; F559-V562 PolarHBondContact O-N 3.05Å; F559-L563 HydrophobicContact CD1-CD1 4.19Å; F559-L563 HydrophobicContact CD1-CD2 4.48Å; F559-L563 HydrophobicContact CD1-CG 4.25Å; F559-L563 HydrophobicContact CE1-CD1 3.91Å; F559-L563 HydrophobicContact CE1-CD2 3.87Å; F559-L563 HydrophobicContact CE1-CG 4.04Å; F559-L563 HydrophobicContact CZ-CD2 4.1Å; F559-L563 WeakPolarHBondContact O-CG 3.44Å; F559-L563 PolarHBondContact O-N 2.94Å; F559-L576 HydrophobicContact CD1-CD1 3.83Å; F559-V579 HydrophobicContact CD1-CG1 4.47Å; F559-V579 HydrophobicContact CE1-CB 4.02Å; F559-V579 HydrophobicContact CE1-CG1 3.8Å; F559-V579 HydrophobicContact CE1-CG2 3.85Å; F559-V579 HydrophobicContact CZ-CB 4.44Å; F559-V579 HydrophobicContact CZ-CG1 4Å; F559-V579 HydrophobicContact CZ-CG2 3.96Å; F559-L636 HydrophobicContact CD2-CB 4.4Å; F559-L636 HydrophobicContact CD2-CD1 3.7Å; F559-L636 HydrophobicContact CE2-CD1 3.68Å; F559-L636 HydrophobicContact CG-CD1 4.42Å; F559-L636 HydrophobicContact CZ-CD1 4.4Å; F559-T638 HydrophobicContact CD2-CG2 4.22Å; F559-V650 HydrophobicContact CE2-CG1 4.17Å; F559-V650 HydrophobicContact CE2-CG2 3.87Å; F559-V650 HydrophobicContact CZ-CG1 4.35Å; F559-F653 HydrophobicContact CZ-CE1 4.42Å
560A96.7Very high92.3Very high0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-56.9-36.3174.500000112.7L536 V539 L556 T557 L563 L564 L576L536-A560 HydrophobicContact CD1-CB 3.71Å; V539-A560 HydrophobicContact CG1-CB 4Å; L556-A560 PolarHBondContact O-N 3.2Å; T557-A560 PolarHBondContact O-N 3.23Å; A560-L563 PolarHBondContact O-N 3.36Å; A560-L564 WeakPolarHBondContact O-CG 3.42Å; A560-L564 PolarHBondContact O-N 3.43Å; A560-L576 HydrophobicContact CB-CD2 4.11Å
561A96.8Very high92.4Very high0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-66.5-38.3175.400000112.5T520 F521 F527 L536 T557 F559 L563 L564 L565T520-A561 HydrophobicContact CG2-CB 3.74Å; F521-A561 HydrophobicContact CD2-CB 3.5Å; F521-A561 HydrophobicContact CE2-CB 3.62Å; F521-A561 HydrophobicContact CG-CB 4.14Å; F521-A561 HydrophobicContact CZ-CB 4.34Å; F527-A561 HydrophobicContact CE1-CB 4.21Å; F527-A561 HydrophobicContact CE2-CB 3.89Å; F527-A561 HydrophobicContact CZ-CB 3.67Å; F527-A561 WeakPolarHBondContact CZ-O 3.47Å; L536-A561 HydrophobicContact CD1-CB 4.02Å; L536-A561 HydrophobicContact CD2-CB 4.13Å; T557-A561 VanDerWaalsContact O-CB 3.3Å; T557-A561 WeakPolarHBondContact O-CB 3.07Å; T557-A561 PolarHBondContact O-N 2.86Å; F559-A561 PolarHBondContact O-N 2.89Å; A561-L563 VanDerWaalsContact C-N 3.3Å; A561-L563 PolarHBondContact O-N 2.78Å; A561-L564 PolarHBondContact O-N 3.34Å; A561-L565 WeakPolarHBondContact O-CG 3.49Å; A561-L565 PolarHBondContact O-N 2.87Å
562V96Very high92.5Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-61.3-39.3172.8170.90000111.9W482 F521 F558 F559 H566 T638 V646 F647 V650W482-V562 HydrophobicContact CH2-CG1 3.52Å; W482-V562 HydrophobicContact CZ3-CG1 3.99Å; F521-V562 HydrophobicContact CE2-CG2 3.75Å; F521-V562 HydrophobicContact CZ-CG2 3.56Å; F558-V562 PolarHBondContact O-N 3.23Å; F559-V562 WeakPolarHBondContact O-CB 3.42Å; F559-V562 PolarHBondContact O-N 3.05Å; V562-H566 PolarHBondContact O-ND1 3.46Å; V562-T638 HydrophobicContact CG2-CG2 3.67Å; V562-V646 HydrophobicContact CG2-CG1 3.86Å; V562-F647 HydrophobicContact CG1-CD1 3.82Å; V562-F647 HydrophobicContact CG1-CE1 3.93Å; V562-F647 HydrophobicContact CG2-CE1 4.36Å; V562-V650 HydrophobicContact CG1-CG2 4.28Å
563L96Very high92.6Very high0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-65.1-49.7176.2-55-171.2000111W482 F559 A560 A561 L565 H566 M567 A572 L575 L576W482-L563 HydrophobicContact CE3-CD2 3.82Å; W482-L563 HydrophobicContact CZ3-CD2 3.78Å; F559-L563 HydrophobicContact CD1-CD1 4.19Å; F559-L563 HydrophobicContact CD1-CD2 4.48Å; F559-L563 HydrophobicContact CD1-CG 4.25Å; F559-L563 HydrophobicContact CE1-CD1 3.91Å; F559-L563 HydrophobicContact CE1-CD2 3.87Å; F559-L563 HydrophobicContact CE1-CG 4.04Å; F559-L563 HydrophobicContact CZ-CD2 4.1Å; F559-L563 WeakPolarHBondContact O-CG 3.44Å; F559-L563 PolarHBondContact O-N 2.94Å; A560-L563 PolarHBondContact O-N 3.36Å; A561-L563 VanDerWaalsContact C-N 3.3Å; A561-L563 PolarHBondContact O-N 2.78Å; L563-L565 PolarHBondContact O-N 3.33Å; L563-L565 VanDerWaalsContact O-N 3.14Å; L563-H566 PolarHBondContact O-N 3.2Å; L563-M567 HydrophobicContact CB-SD 4.36Å; L563-M567 WeakPolarHBondContact O-CG 3.47Å; L563-M567 PolarHBondContact O-N 2.91Å; L563-A572 HydrophobicContact CB-CB 3.84Å; L563-A572 VanDerWaalsContact CD1-O 3.27Å; L563-A572 WeakPolarHBondContact CD1-O 3.19Å; L563-L575 HydrophobicContact CD1-CB 4.06Å; L563-L575 HydrophobicContact CD1-CD2 4.12Å; L563-L575 HydrophobicContact CD1-CG 3.92Å; L563-L575 HydrophobicContact CD2-CD2 3.57Å; L563-L575 HydrophobicContact CD2-CG 4.16Å; L563-L575 HydrophobicContact CG-CD2 4.4Å; L563-L576 HydrophobicContact CD1-CB 4.04Å
564L95.8Very high92.9Very high15 Ų1520.6 Ų20.68%0.07911%0.107CC..Hα-helixtrans-61.9-20.5-178.8-76.7170.5000114.9F526 F527 L536 V539 A560 A561 H566 V569 A572F526-L564 HydrophobicContact CE1-CB 4.46Å; F527-L564 HydrophobicContact CE1-CB 4.45Å; F527-L564 HydrophobicContact CE1-CD1 4.4Å; F527-L564 HydrophobicContact CZ-CB 4.06Å; L536-L564 HydrophobicContact CB-CD1 3.9Å; L536-L564 HydrophobicContact CD1-CD1 3.92Å; V539-L564 HydrophobicContact CG2-CD1 4.19Å; V539-L564 HydrophobicContact CG2-CD2 4.13Å; V539-L564 HydrophobicContact CG2-CG 4.38Å; A560-L564 WeakPolarHBondContact O-CG 3.42Å; A560-L564 PolarHBondContact O-N 3.43Å; A561-L564 PolarHBondContact O-N 3.34Å; L564-H566 VanDerWaalsContact C-N 3.25Å; L564-H566 PolarHBondContact O-N 3.43Å; L564-V569 HydrophobicContact CD2-CB 4.29Å; L564-V569 HydrophobicContact CD2-CG2 4.28Å; L564-A572 HydrophobicContact CD2-CB 3.77Å; L564-A572 HydrophobicContact CG-CB 3.94Å
565L94.4Very high93.4Very high13 Ų1314.3 Ų14.37%0.0688%0.078CC..THydrogen-bonded Turntrans-71.1-20.8171.4-69174.9000113.3V401 F521 H524 F526 F527 A561 L563 L643 F647V401-L565 HydrophobicContact CG2-CD1 4.2Å; F521-L565 HydrophobicContact CD2-CD1 4.24Å; F521-L565 HydrophobicContact CE2-CD1 4.16Å; H524-L565 WeakPolarHBondContact CE1-CD2 3.36Å; F526-L565 HydrophobicContact CB-CD2 4.38Å; F526-L565 HydrophobicContact CD1-CD2 4.17Å; F527-L565 HydrophobicContact CD2-CD2 4.4Å; F527-L565 HydrophobicContact CE2-CD1 4.25Å; F527-L565 HydrophobicContact CE2-CD2 3.64Å; F527-L565 HydrophobicContact CE2-CG 3.79Å; F527-L565 HydrophobicContact CZ-CD2 4.31Å; F527-L565 HydrophobicContact CZ-CG 4.34Å; A561-L565 WeakPolarHBondContact O-CG 3.49Å; A561-L565 PolarHBondContact O-N 2.87Å; L563-L565 PolarHBondContact O-N 3.33Å; L563-L565 VanDerWaalsContact O-N 3.14Å; L565-L643 HydrophobicContact CD1-CD1 4.1Å; L565-L643 HydrophobicContact CD1-CD2 4.37Å; L565-F647 HydrophobicContact CD1-CE1 4.26Å; L565-F647 HydrophobicContact CD1-CZ 3.93Å
566H92.8Very high94Very high26 Ų2614.2 Ų14.212%0.128%0.077CC..THydrogen-bonded Turntrans-114.3-31.3-174.6-63.492.4000113.7R478 A479 W482 V562 L563 L564 F647R478-H566 HydrophobicContact CB-CB 4.45Å; R478-H566 PolarHBondContact NH1-NE2 3.27Å; A479-H566 WeakPolarHBondContact CB-O 3.22Å; W482-H566 AromaticContact CH2-CE1 3.69Å; W482-H566 AromaticContact CH2-ND1 3.44Å; W482-H566 WeakPolarHBondContact CH2-ND1 3.41Å; W482-H566 HydrophobicContact CZ3-CB 4.11Å; W482-H566 AromaticContact CZ3-CG 3.93Å; W482-H566 AromaticContact CZ3-ND1 3.56Å; V562-H566 PolarHBondContact O-ND1 3.46Å; L563-H566 PolarHBondContact O-N 3.2Å; L564-H566 VanDerWaalsContact C-N 3.25Å; L564-H566 PolarHBondContact O-N 3.43Å; H566-F647 AromaticContact CE1-CD1 3.7Å; H566-F647 AromaticContact CE1-CD2 3.87Å; H566-F647 AromaticContact CE1-CE1 3.57Å; H566-F647 AromaticContact CE1-CE2 3.73Å; H566-F647 AromaticContact CE1-CG 3.85Å; H566-F647 AromaticContact CE1-CZ 3.57Å
567M92.1Very high94.2Very high9 Ų913.9 Ų13.94%0.0448%0.075CC..SBendtrans-136.8157.5-173.668.5-167.456.400114.1A479 W482 L563 Q571 A572 L575A479-M567 HydrophobicContact CB-CB 4.26Å; W482-M567 HydrophobicContact CB-CE 4.36Å; W482-M567 HydrophobicContact CE3-CE 3.83Å; L563-M567 HydrophobicContact CB-SD 4.36Å; L563-M567 WeakPolarHBondContact O-CG 3.47Å; L563-M567 PolarHBondContact O-N 2.91Å; M567-Q571 HydrophobicContact CB-CB 4.08Å; M567-Q571 HydrophobicContact CG-CB 4Å; M567-Q571 VanDerWaalsContact SD-C 3.54Å; M567-Q571 HydrophobicContact SD-CB 3.95Å; M567-A572 HydrophobicContact CG-CB 3.98Å; M567-A572 HydrophobicContact SD-CB 4.47Å; M567-L575 HydrophobicContact CE-CD2 3.53Å; M567-L575 HydrophobicContact SD-CB 4.19Å; M567-L575 HydrophobicContact SD-CD2 3.8Å
568P92Very high93.9Very high81 Ų8115 Ų1553%0.5268%0.08SC..  trans-60160.2175.7-22.834.7000113.9E570 Q571 A572P568-E570 VanDerWaalsContact C-N 3.33Å; P568-E570 PolarHBondContact O-N 3.26Å; P568-Q571 PolarHBondContact O-N 3.17Å; P568-Q571 VanDerWaalsContact O-N 3.08Å; P568-A572 PolarHBondContact O-N 3.19Å
569V93.9Very high93.8Very high36 Ų3614.7 Ų14.722%0.2188%0.079CC..Hα-helixtrans-52.9-41.5-173.976.90000114.4Y499 L538 V539 L564 A572 F573Y499-V569 HydrophobicContact CE1-CG1 4.18Å; Y499-V569 HydrophobicContact CE2-CG2 4.44Å; Y499-V569 VanDerWaalsContact OH-CG2 3.26Å; Y499-V569 WeakPolarHBondContact OH-CG2 3.42Å; L538-V569 HydrophobicContact CB-CG2 4.43Å; V539-V569 HydrophobicContact CG2-CG2 3.5Å; L564-V569 HydrophobicContact CD2-CB 4.29Å; L564-V569 HydrophobicContact CD2-CG2 4.28Å; V569-A572 PolarHBondContact O-N 3.4Å; V569-F573 PolarHBondContact O-N 3.02Å
570E92.6Very high93.6Very high48 Ų4814.3 Ų14.322%0.2248%0.077CC..Hα-helixtrans-68.9-42.1179.9-53.8-166.314700111.6M496 Y499 R500 P568 F573 T574M496-E570 HydrophobicContact CB-CB 4.49Å; M496-E570 HydrophobicContact CG-CB 4.21Å; M496-E570 HydrophobicContact SD-CB 4.35Å; Y499-E570 HydrophobicContact CD1-CB 4.38Å; Y499-E570 HydrophobicContact CD1-CG 3.74Å; Y499-E570 HydrophobicContact CE1-CG 3.82Å; R500-E570 WeakPolarHBondContact CG-OE1 3.45Å; R500-E570 IonicContact CZ-OE1 2.82Å; R500-E570 IonicContact CZ-OE2 2.68Å; R500-E570 IonicContact NE-OE1 3.18Å; R500-E570 PolarHBondContact NE-OE1 3.05Å; R500-E570 IonicContact NE-OE2 3.29Å; R500-E570 IonicContact NH2-OE1 3.64Å; R500-E570 IonicContact NH2-OE2 2.67Å; R500-E570 PolarHBondContact NH2-OE2 2.89Å; P568-E570 VanDerWaalsContact C-N 3.33Å; P568-E570 PolarHBondContact O-N 3.26Å; E570-F573 WeakPolarHBondContact O-CB 3.43Å; E570-F573 PolarHBondContact O-N 2.99Å; E570-T574 WeakPolarHBondContact O-CG2 3.38Å; E570-T574 PolarHBondContact O-N 3.44Å
571Q92.3Very high93.1Very high44 Ų4415.8 Ų15.821%0.2069%0.085CC..Hα-helixtrans-69.7-36176.6-68.5-179.8-3.900112Q483 M496 M567 P568 F573 T574 L575Q483-Q571 VanDerWaalsContact NE2-OE1 3.11Å; M496-Q571 HydrophobicContact CE-CG 3.89Å; M567-Q571 HydrophobicContact CB-CB 4.08Å; M567-Q571 HydrophobicContact CG-CB 4Å; M567-Q571 VanDerWaalsContact SD-C 3.54Å; M567-Q571 HydrophobicContact SD-CB 3.95Å; P568-Q571 PolarHBondContact O-N 3.17Å; P568-Q571 VanDerWaalsContact O-N 3.08Å; Q571-F573 VanDerWaalsContact C-N 3.29Å; Q571-F573 PolarHBondContact O-N 3.44Å; Q571-T574 PolarHBondContact O-N 3.04Å; Q571-T574 PolarHBondContact O-OG1 3.05Å; Q571-T574 VanDerWaalsContact O-OG1 3.08Å; Q571-L575 WeakPolarHBondContact O-CB 3.35Å; Q571-L575 PolarHBondContact O-N 3.25Å
572A95Very high92.5Very high0 Ų018.3 Ų18.30%010%0.099CC..Hα-helixtrans-63.2-38173.600000111.1V539 L563 L564 M567 P568 V569 L576V539-A572 HydrophobicContact CG2-CB 4.19Å; L563-A572 HydrophobicContact CB-CB 3.84Å; L563-A572 VanDerWaalsContact CD1-O 3.27Å; L563-A572 WeakPolarHBondContact CD1-O 3.19Å; L564-A572 HydrophobicContact CD2-CB 3.77Å; L564-A572 HydrophobicContact CG-CB 3.94Å; M567-A572 HydrophobicContact CG-CB 3.98Å; M567-A572 HydrophobicContact SD-CB 4.47Å; P568-A572 PolarHBondContact O-N 3.19Å; V569-A572 PolarHBondContact O-N 3.4Å; A572-L576 WeakPolarHBondContact O-CB 3.32Å; A572-L576 PolarHBondContact O-N 3.39Å
573F94.9Very high92.3Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-65.6-49.6171.3169-92.5000112.5L495 Y499 L502 V539 A542 Y546 V569 E570 Q571 L575 L576 V577L495-F573 HydrophobicContact CB-CE1 4.42Å; L495-F573 VanDerWaalsContact O-CE1 3.29Å; L495-F573 WeakPolarHBondContact O-CE1 3.38Å; Y499-F573 HydrophobicContact CD2-CB 3.74Å; Y499-F573 HydrophobicContact CD2-CD1 4.13Å; Y499-F573 HydrophobicContact CD2-CD2 4.02Å; Y499-F573 AromaticContact CD2-CG 3.68Å; Y499-F573 HydrophobicContact CD2-CG 3.68Å; Y499-F573 HydrophobicContact CE2-CB 4.32Å; Y499-F573 HydrophobicContact CG-CB 4.4Å; Y499-F573 HydrophobicContact CG-CD1 4.25Å; Y499-F573 HydrophobicContact CG-CG 4.25Å; L502-F573 HydrophobicContact CD1-CE2 4.32Å; L502-F573 HydrophobicContact CD1-CZ 3.87Å; V539-F573 HydrophobicContact CG1-CB 4.41Å; A542-F573 HydrophobicContact CB-CD2 3.63Å; A542-F573 HydrophobicContact CB-CE2 3.7Å; Y546-F573 AromaticContact CD2-CZ 3.92Å; Y546-F573 HydrophobicContact CD2-CZ 3.92Å; Y546-F573 HydrophobicContact CG-CZ 4.08Å; V569-F573 PolarHBondContact O-N 3.02Å; E570-F573 WeakPolarHBondContact O-CB 3.43Å; E570-F573 PolarHBondContact O-N 2.99Å; Q571-F573 VanDerWaalsContact C-N 3.29Å; Q571-F573 PolarHBondContact O-N 3.44Å; F573-L575 PolarHBondContact O-N 3.39Å; F573-L576 PolarHBondContact O-N 2.87Å; F573-V577 HydrophobicContact CD1-CG2 4.48Å; F573-V577 HydrophobicContact CD2-CG2 4.29Å; F573-V577 HydrophobicContact CE1-CG2 4.01Å; F573-V577 HydrophobicContact CE2-CG2 3.79Å; F573-V577 HydrophobicContact CZ-CG2 3.65Å; F573-V577 WeakPolarHBondContact O-CG2 3.44Å; F573-V577 PolarHBondContact O-N 3.42Å
574T93Very high91.9Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-59.8-46.8-178.265.80000111.1L495 M496 E570 Q571 L576 V577 Q578L495-T574 HydrophobicContact CB-CG2 3.53Å; L495-T574 HydrophobicContact CD1-CG2 4.39Å; M496-T574 HydrophobicContact CE-CG2 4.22Å; M496-T574 HydrophobicContact CG-CG2 3.69Å; E570-T574 WeakPolarHBondContact O-CG2 3.38Å; E570-T574 PolarHBondContact O-N 3.44Å; Q571-T574 PolarHBondContact O-N 3.04Å; Q571-T574 PolarHBondContact O-OG1 3.05Å; Q571-T574 VanDerWaalsContact O-OG1 3.08Å; T574-L576 PolarHBondContact O-N 2.88Å; T574-V577 WeakPolarHBondContact O-CB 3.36Å; T574-V577 PolarHBondContact O-N 2.88Å; T574-Q578 VanDerWaalsContact O-CG 3.32Å; T574-Q578 WeakPolarHBondContact O-CG 3.12Å; T574-Q578 PolarHBondContact O-N 3.44Å
575L92.5Very high91.7Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-65.8-36.4177.8177.359.8000112.6W482 S486 L563 M567 Q571 F573 V577 Q578 V579W482-L575 HydrophobicContact CB-CD2 3.8Å; W482-L575 HydrophobicContact CE3-CD2 4.22Å; S486-L575 WeakPolarHBondContact OG-CD1 3.22Å; L563-L575 HydrophobicContact CD1-CB 4.06Å; L563-L575 HydrophobicContact CD1-CD2 4.12Å; L563-L575 HydrophobicContact CD1-CG 3.92Å; L563-L575 HydrophobicContact CD2-CD2 3.57Å; L563-L575 HydrophobicContact CD2-CG 4.16Å; L563-L575 HydrophobicContact CG-CD2 4.4Å; M567-L575 HydrophobicContact CE-CD2 3.53Å; M567-L575 HydrophobicContact SD-CB 4.19Å; M567-L575 HydrophobicContact SD-CD2 3.8Å; Q571-L575 WeakPolarHBondContact O-CB 3.35Å; Q571-L575 PolarHBondContact O-N 3.25Å; F573-L575 PolarHBondContact O-N 3.39Å; L575-V577 VanDerWaalsContact C-N 3.33Å; L575-V577 PolarHBondContact O-N 3Å; L575-Q578 PolarHBondContact O-N 2.82Å; L575-V579 HydrophobicContact CD1-CG2 3.95Å; L575-V579 HydrophobicContact CG-CG2 4.38Å; L575-V579 WeakPolarHBondContact O-CB 3.39Å; L575-V579 VanDerWaalsContact O-CG2 3.31Å; L575-V579 WeakPolarHBondContact O-CG2 3.4Å; L575-V579 PolarHBondContact O-N 2.84Å
576L94.6Very high91.6Very high1 Ų118.9 Ų18.91%0.00510%0.1CC..Hα-helixtrans-62-40.7173.8-17866.8000111.8V539 Y543 L556 F559 A560 L563 A572 F573 T574 N580V539-L576 HydrophobicContact CG1-CD2 3.71Å; Y543-L576 HydrophobicContact CD2-CD2 3.79Å; Y543-L576 HydrophobicContact CD2-CG 3.71Å; Y543-L576 HydrophobicContact CE2-CG 4.23Å; Y543-L576 HydrophobicContact CG-CD2 3.94Å; Y543-L576 HydrophobicContact CG-CG 4.34Å; L556-L576 HydrophobicContact CD1-CD1 4.11Å; F559-L576 HydrophobicContact CD1-CD1 3.83Å; A560-L576 HydrophobicContact CB-CD2 4.11Å; L563-L576 HydrophobicContact CD1-CB 4.04Å; A572-L576 WeakPolarHBondContact O-CB 3.32Å; A572-L576 PolarHBondContact O-N 3.39Å; F573-L576 PolarHBondContact O-N 2.87Å; T574-L576 PolarHBondContact O-N 2.88Å; L576-N580 WeakPolarHBondContact O-CB 3.37Å; L576-N580 PolarHBondContact O-N 3.32Å; L576-N580 VanDerWaalsContact O-N 3.1Å; L576-N580 PolarHBondContact O-ND2 2.85Å
577V92.4Very high91.5Very high1 Ų120 Ų201%0.00611%0.105CC..Hα-helixtrans-64.4-47174.4169.90000111L495 Y543 Y546 F573 T574 L575 V579 N580 N581L495-V577 HydrophobicContact CD1-CB 4.42Å; L495-V577 HydrophobicContact CD1-CG1 4.15Å; L495-V577 HydrophobicContact CD2-CG1 4.09Å; Y543-V577 HydrophobicContact CD2-CG2 4.11Å; Y543-V577 HydrophobicContact CE2-CG2 4.46Å; Y546-V577 HydrophobicContact CD1-CG1 4Å; Y546-V577 HydrophobicContact CD1-CG2 3.89Å; Y546-V577 HydrophobicContact CE1-CB 4.46Å; Y546-V577 HydrophobicContact CE1-CG1 3.41Å; Y546-V577 VanDerWaalsContact CE1-CG1 3.41Å; Y546-V577 HydrophobicContact CE1-CG2 4.16Å; Y546-V577 HydrophobicContact CG-CG2 4.17Å; F573-V577 HydrophobicContact CD1-CG2 4.48Å; F573-V577 HydrophobicContact CD2-CG2 4.29Å; F573-V577 HydrophobicContact CE1-CG2 4.01Å; F573-V577 HydrophobicContact CE2-CG2 3.79Å; F573-V577 HydrophobicContact CZ-CG2 3.65Å; F573-V577 WeakPolarHBondContact O-CG2 3.44Å; F573-V577 PolarHBondContact O-N 3.42Å; T574-V577 WeakPolarHBondContact O-CB 3.36Å; T574-V577 PolarHBondContact O-N 2.88Å; L575-V577 VanDerWaalsContact C-N 3.33Å; L575-V577 PolarHBondContact O-N 3Å; V577-V579 PolarHBondContact O-N 3.48Å; V577-N580 PolarHBondContact O-N 3.03Å; V577-N581 WeakPolarHBondContact CG1-ND2 3.48Å; V577-N581 WeakPolarHBondContact O-CB 3.49Å; V577-N581 PolarHBondContact O-N 2.92Å; V577-N581 PolarHBondContact O-ND2 3.4Å; V577-N581 VanDerWaalsContact O-ND2 3.14Å
578Q89.1Confident91.6Very high23 Ų2319.6 Ų19.611%0.10710%0.103CC..Hα-helixtrans-65.7-37.5179.8-63.4-68.77.400112C488 E492 L495 T574 L575 N582C488-Q578 HydrophobicContact CB-CG 4.27Å; E492-Q578 PolarHBondContact OE2-NE2 3.03Å; L495-Q578 HydrophobicContact CD1-CG 4.35Å; T574-Q578 VanDerWaalsContact O-CG 3.32Å; T574-Q578 WeakPolarHBondContact O-CG 3.12Å; T574-Q578 PolarHBondContact O-N 3.44Å; L575-Q578 PolarHBondContact O-N 2.82Å; Q578-N582 VanDerWaalsContact O-CB 3.25Å; Q578-N582 WeakPolarHBondContact O-CB 3.41Å; Q578-N582 PolarHBondContact O-N 2.88Å; Q578-N582 PolarHBondContact OE1-ND2 3.41Å
579V91.4Very high91.5Very high1 Ų116.7 Ų16.71%0.0068%0.082CC..Hα-helixtrans-63.2-49.6174.5165.70000111.4F559 L575 V577 N581 Y583 V585 F653 L654F559-V579 HydrophobicContact CD1-CG1 4.47Å; F559-V579 HydrophobicContact CE1-CB 4.02Å; F559-V579 HydrophobicContact CE1-CG1 3.8Å; F559-V579 HydrophobicContact CE1-CG2 3.85Å; F559-V579 HydrophobicContact CZ-CB 4.44Å; F559-V579 HydrophobicContact CZ-CG1 4Å; F559-V579 HydrophobicContact CZ-CG2 3.96Å; L575-V579 HydrophobicContact CD1-CG2 3.95Å; L575-V579 HydrophobicContact CG-CG2 4.38Å; L575-V579 WeakPolarHBondContact O-CB 3.39Å; L575-V579 VanDerWaalsContact O-CG2 3.31Å; L575-V579 WeakPolarHBondContact O-CG2 3.4Å; L575-V579 PolarHBondContact O-N 2.84Å; V577-V579 PolarHBondContact O-N 3.48Å; V579-N581 PolarHBondContact O-N 3.11Å; V579-Y583 HydrophobicContact CG2-CD2 4.35Å; V579-Y583 HydrophobicContact CG2-CE2 4.48Å; V579-Y583 VanDerWaalsContact O-CB 3.31Å; V579-Y583 WeakPolarHBondContact O-CB 3.25Å; V579-Y583 PolarHBondContact O-N 2.94Å; V579-Y583 VanDerWaalsContact O-N 3.17Å; V579-V585 HydrophobicContact CG1-CG2 3.89Å; V579-F653 HydrophobicContact CG1-CE1 3.85Å; V579-F653 HydrophobicContact CG1-CZ 4.02Å; V579-F653 HydrophobicContact CG2-CE1 4.46Å; V579-L654 HydrophobicContact CG2-CD2 3.63Å
580N90.9Very high91.4Very high2 Ų215.5 Ų15.51%0.0118%0.075CC..Hα-helixtrans-63.6-42.8-179.1-82.3-71.8000112.7Y543 L576 V577 V585 R586Y543-N580 HydrophobicContact CE2-CB 3.76Å; Y543-N580 WeakPolarHBondContact CE2-ND2 3.41Å; Y543-N580 WeakPolarHBondContact OH-CB 3.34Å; L576-N580 WeakPolarHBondContact O-CB 3.37Å; L576-N580 PolarHBondContact O-N 3.32Å; L576-N580 VanDerWaalsContact O-N 3.1Å; L576-N580 PolarHBondContact O-ND2 2.85Å; V577-N580 PolarHBondContact O-N 3.03Å; N580-V585 PolarHBondContact O-N 2.81Å; N580-R586 HydrophobicContact CB-CB 4.17Å; N580-R586 WeakPolarHBondContact O-CB 3.47Å; N580-R586 WeakPolarHBondContact O-CG 3.44Å; N580-R586 PolarHBondContact O-N 3.32Å; N580-R586 VanDerWaalsContact O-N 3.16Å
581N86.6Confident91.2Very high32 Ų3219.2 Ų19.217%0.17110%0.096CC..Hα-helixtrans-75.2-51.9-179.4-78.1-50.7000114.1R441 V577 V579 R586R441-N581 PolarHBondContact NH2-O 2.79Å; V577-N581 WeakPolarHBondContact CG1-ND2 3.48Å; V577-N581 WeakPolarHBondContact O-CB 3.49Å; V577-N581 PolarHBondContact O-N 2.92Å; V577-N581 PolarHBondContact O-ND2 3.4Å; V577-N581 VanDerWaalsContact O-ND2 3.14Å; V579-N581 PolarHBondContact O-N 3.11Å; N581-R586 WeakPolarHBondContact OD1-CD 3.46Å
582N85.6Confident90.9Very high52 Ų5224 Ų2428%0.27812%0.123SC..Hα-helixtrans-90.5-27.2-166.2-59.3-19.1000113S450 G451 Q578S450-N582 CarbonylContact C-O 3.56Å; S450-N582 WeakPolarHBondContact CB-O 3.28Å; G451-N582 WeakPolarHBondContact CA-O 3.5Å; G451-N582 PolarHBondContact N-O 3.22Å; Q578-N582 VanDerWaalsContact O-CB 3.25Å; Q578-N582 WeakPolarHBondContact O-CB 3.41Å; Q578-N582 PolarHBondContact O-N 2.88Å; Q578-N582 PolarHBondContact OE1-ND2 3.41Å
583Y90.1Very high90.7Very high2 Ų228.4 Ų28.41%0.00814%0.142CC..SBendtrans-95.6-5.1179-64.1-105.5000112.8S450 P452 L485 V579 F653 L654 L658S450-Y583 VanDerWaalsContact O-CD1 3.28Å; S450-Y583 WeakPolarHBondContact O-CD1 3.46Å; P452-Y583 WeakPolarHBondContact CD-OH 3.16Å; L485-Y583 PolarHBondContact O-OH 2.92Å; V579-Y583 HydrophobicContact CG2-CD2 4.35Å; V579-Y583 HydrophobicContact CG2-CE2 4.48Å; V579-Y583 VanDerWaalsContact O-CB 3.31Å; V579-Y583 WeakPolarHBondContact O-CB 3.25Å; V579-Y583 PolarHBondContact O-N 2.94Å; V579-Y583 VanDerWaalsContact O-N 3.17Å; Y583-F653 HydrophobicContact CD1-CE1 4.35Å; Y583-F653 HydrophobicContact CD1-CE2 4.05Å; Y583-F653 AromaticContact CD1-CZ 3.88Å; Y583-F653 HydrophobicContact CD1-CZ 3.88Å; Y583-F653 HydrophobicContact CG-CE1 4.48Å; Y583-F653 HydrophobicContact CG-CE2 4.41Å; Y583-F653 AromaticContact CG-CZ 3.91Å; Y583-F653 HydrophobicContact CG-CZ 3.91Å; Y583-L654 HydrophobicContact CE1-CD2 4.18Å; Y583-L654 WeakPolarHBondContact CE1-O 3.38Å; Y583-L654 HydrophobicContact CE2-CD2 4.08Å; Y583-L654 PolarHBondContact OH-O 3.41Å; Y583-L658 WeakPolarHBondContact O-CD1 3.23Å; Y583-L658 WeakPolarHBondContact O-CG 3.42Å
584G87.6Confident90.6Very high0 Ų030.8 Ų30.80%016%0.155CC..SBendtrans79.620.7174.700000115R586 E587G584-R586 VanDerWaalsContact C-N 3.34Å; G584-E587 WeakPolarHBondContact O-CB 3.5Å
585V92.5Very high90.5Very high8 Ų831.3 Ų31.35%0.04816%0.16CC..  trans-71.4-31.6177.7-1770000110.9V579 N580 E587 F588 F589 L636 F653 L658V579-V585 HydrophobicContact CG1-CG2 3.89Å; N580-V585 PolarHBondContact O-N 2.81Å; V585-E587 PolarHBondContact O-N 2.89Å; V585-F588 HydrophobicContact CG1-CD2 3.98Å; V585-F588 HydrophobicContact CG1-CE2 4.12Å; V585-F588 WeakPolarHBondContact O-CB 3.48Å; V585-F588 WeakPolarHBondContact O-CD2 3.26Å; V585-F588 WeakPolarHBondContact O-CG 3.48Å; V585-F588 PolarHBondContact O-N 2.78Å; V585-F588 VanDerWaalsContact O-N 3.15Å; V585-F589 HydrophobicContact CG1-CE2 4.28Å; V585-L636 HydrophobicContact CG2-CD1 4.22Å; V585-F653 HydrophobicContact CG2-CE2 4.46Å; V585-F653 HydrophobicContact CG2-CZ 3.83Å; V585-L658 HydrophobicContact CG2-CD2 4.41Å
586R92Very high90.7Very high30 Ų3031.6 Ų31.611%0.11316%0.162CC..G310 helixtrans-58.8-34.6176.276.6-175.7-61-91.73.3113.1D547 E549 V550 N580 N581 G584 F588 F589 L590D547-R586 VanDerWaalsContact CG-NH2 3.3Å; D547-R586 IonicContact OD1-CZ 3.51Å; D547-R586 IonicContact OD1-NH2 2.7Å; D547-R586 PolarHBondContact OD1-NH2 3.34Å; D547-R586 IonicContact OD2-CZ 2.83Å; D547-R586 IonicContact OD2-NE 3.7Å; D547-R586 PolarHBondContact OD2-NE 2.85Å; D547-R586 IonicContact OD2-NH2 2.94Å; D547-R586 PolarHBondContact OD2-NH2 3.38Å; E549-R586 IonicContact OE2-CZ 2.73Å; E549-R586 IonicContact OE2-NH1 2.71Å; E549-R586 PolarHBondContact OE2-NH1 3.45Å; E549-R586 VanDerWaalsContact OE2-NH1 3.13Å; E549-R586 IonicContact OE2-NH2 3.46Å; E549-R586 PolarHBondContact OE2-NH2 3.02Å; V550-R586 HydrophobicContact CG2-CB 4.06Å; N580-R586 HydrophobicContact CB-CB 4.17Å; N580-R586 WeakPolarHBondContact O-CB 3.47Å; N580-R586 WeakPolarHBondContact O-CG 3.44Å; N580-R586 PolarHBondContact O-N 3.32Å; N580-R586 VanDerWaalsContact O-N 3.16Å; N581-R586 WeakPolarHBondContact OD1-CD 3.46Å; G584-R586 VanDerWaalsContact C-N 3.34Å; R586-F588 PolarHBondContact O-N 3.37Å; R586-F589 PolarHBondContact O-N 2.85Å; R586-L590 HydrophobicContact CG-CD1 4.42Å; R586-L590 VanDerWaalsContact NH1-CD1 3.33Å
587E91.7Very high90.7Very high50 Ų5035.3 Ų35.323%0.23418%0.179CC..G310 helixtrans-61-19.3-179.3-50.7-58.3132.200112.8L445 G584 V585 F589 G595L445-E587 HydrophobicContact CD1-CG 4.21Å; L445-E587 HydrophobicContact CD2-CG 4.09Å; G584-E587 WeakPolarHBondContact O-CB 3.5Å; V585-E587 PolarHBondContact O-N 2.89Å; E587-F589 PolarHBondContact O-N 3.44Å; E587-G595 VanDerWaalsContact O-CA 3.28Å; E587-G595 WeakPolarHBondContact O-CA 3.46Å
588F93.1Very high90.9Very high0 Ų036.1 Ų36.10%018%0.183CC..G310 helixtrans-69.4-23.3175.3-59-19.5000113.3V585 R586 F593 L596 R599 F633 L634 L658V585-F588 HydrophobicContact CG1-CD2 3.98Å; V585-F588 HydrophobicContact CG1-CE2 4.12Å; V585-F588 WeakPolarHBondContact O-CB 3.48Å; V585-F588 WeakPolarHBondContact O-CD2 3.26Å; V585-F588 WeakPolarHBondContact O-CG 3.48Å; V585-F588 PolarHBondContact O-N 2.78Å; V585-F588 VanDerWaalsContact O-N 3.15Å; R586-F588 PolarHBondContact O-N 3.37Å; F588-F593 WeakPolarHBondContact O-CA 3.39Å; F588-F593 WeakPolarHBondContact O-CD1 3.38Å; F588-L596 HydrophobicContact CB-CB 4.18Å; F588-R599 HydrophobicContact CD1-CG 4.18Å; F588-R599 HydrophobicContact CE1-CG 3.49Å; F588-R599 VanDerWaalsContact CE1-CG 3.49Å; F588-R599 HydrophobicContact CZ-CG 4.23Å; F588-F633 HydrophobicContact CE2-CB 4.17Å; F588-F633 HydrophobicContact CZ-CB 4.44Å; F588-F633 HydrophobicContact CZ-CD1 4.35Å; F588-L634 HydrophobicContact CB-CD2 4.02Å; F588-L658 HydrophobicContact CE1-CD1 3.87Å; F588-L658 HydrophobicContact CE2-CD2 4.08Å; F588-L658 HydrophobicContact CZ-CD1 3.57Å; F588-L658 HydrophobicContact CZ-CD2 3.55Å; F588-L658 HydrophobicContact CZ-CG 4.22Å
589F91.1Very high91.2Very high21 Ų2135.1 Ų35.19%0.09218%0.178CC..THydrogen-bonded Turntrans-105.1-16.8-171.4-57.3-73.9000113.4V550 C553 V585 R586 E587 F593 L634V550-F589 HydrophobicContact CG1-CB 3.88Å; V550-F589 HydrophobicContact CG1-CD2 4.23Å; V550-F589 HydrophobicContact CG1-CG 4.21Å; C553-F589 HydrophobicContact CB-CB 4.41Å; C553-F589 HydrophobicContact CB-CD1 3.19Å; C553-F589 HydrophobicContact CB-CE1 3.4Å; C553-F589 VanDerWaalsContact CB-CE1 3.4Å; C553-F589 HydrophobicContact CB-CG 3.85Å; C553-F589 HydrophobicContact CB-CZ 4.24Å; C553-F589 VanDerWaalsContact SG-CB 3.6Å; C553-F589 VanDerWaalsContact SG-CD1 3.56Å; V585-F589 HydrophobicContact CG1-CE2 4.28Å; R586-F589 PolarHBondContact O-N 2.85Å; E587-F589 PolarHBondContact O-N 3.44Å; F589-F593 HydrophobicContact CD1-CE1 4.26Å; F589-L634 HydrophobicContact CD1-CD2 4Å; F589-L634 HydrophobicContact CE1-CD2 3.49Å; F589-L634 VanDerWaalsContact CE1-CD2 3.49Å; F589-L634 HydrophobicContact CZ-CD2 3.95Å
590L90.3Very high91.5Very high11 Ų1135.5 Ų35.56%0.05818%0.18CC..SBendtrans-80.4156.9179.8-60.8172.5000111.6E549 V550 R586 D592 F593E549-L590 HydrophobicContact CB-CD2 4.27Å; E549-L590 HydrophobicContact CG-CD2 3.63Å; V550-L590 HydrophobicContact CG2-CD2 3.68Å; V550-L590 HydrophobicContact CG2-CG 4.15Å; R586-L590 HydrophobicContact CG-CD1 4.42Å; R586-L590 VanDerWaalsContact NH1-CD1 3.33Å; L590-D592 PolarHBondContact O-N 2.88Å; L590-F593 PolarHBondContact O-N 3.37Å; L590-F593 VanDerWaalsContact O-N 3.16Å
591N87.9Confident91.9Very high126 Ų12637.1 Ų37.167%0.67419%0.186SC*.THydrogen-bonded Turntrans49.754.7170.5-57.7-56.2000113.5F593 D594N591-F593 VanDerWaalsContact C-N 3.28Å; N591-F593 PolarHBondContact O-N 2.9Å; N591-D594 HydrophobicContact CB-CB 4.33Å; N591-D594 WeakPolarHBondContact O-CB 3.48Å; N591-D594 PolarHBondContact O-N 3.19Å; N591-D594 VanDerWaalsContact O-N 3.11Å
592D86.7Confident92.4Very high145 Ų14535.6 Ų35.678%0.77518%0.178SC*.THydrogen-bonded Turntrans50.446-178.6-59-40.4000113.4L590 D594 H597L590-D592 PolarHBondContact O-N 2.88Å; D592-D594 VanDerWaalsContact C-N 3.27Å; D592-D594 PolarHBondContact O-N 3.07Å; D592-H597 PolarHBondContact O-CE1 3.11Å
593F91.9Very high93Very high91 Ų9133.1 Ų33.140%0.39917%0.165SC..THydrogen-bonded Turntrans63.420.4178.9-54.7-94.2000114.6F588 F589 L590 N591 G595 L596 H597 L634F588-F593 WeakPolarHBondContact O-CA 3.39Å; F588-F593 WeakPolarHBondContact O-CD1 3.38Å; F589-F593 HydrophobicContact CD1-CE1 4.26Å; L590-F593 PolarHBondContact O-N 3.37Å; L590-F593 VanDerWaalsContact O-N 3.16Å; N591-F593 VanDerWaalsContact C-N 3.28Å; N591-F593 PolarHBondContact O-N 2.9Å; F593-G595 VanDerWaalsContact C-N 3.27Å; F593-G595 PolarHBondContact O-N 2.68Å; F593-L596 HydrophobicContact CB-CB 4.14Å; F593-L596 HydrophobicContact CB-CD2 4.31Å; F593-L596 HydrophobicContact CD1-CD2 4.09Å; F593-L596 CarbonylContact O-C 3.53Å; F593-L596 WeakPolarHBondContact O-CA 3.17Å; F593-L596 WeakPolarHBondContact O-CB 3.4Å; F593-L596 PolarHBondContact O-N 3.12Å; F593-H597 PolarHBondContact O-N 3.02Å; F593-H597 PolarHBondContact O-ND1 2.81Å; F593-L634 HydrophobicContact CD1-CD2 4.43Å; F593-L634 HydrophobicContact CE1-CD2 4.42Å
594D91.3Very high93.4Very high50 Ų5035.3 Ų35.327%0.26718%0.177SC..Hα-helixtrans-54.5-39.9179.8-173.333.6000112.8N591 D592 L596 H597 M598 W726N591-D594 HydrophobicContact CB-CB 4.33Å; N591-D594 WeakPolarHBondContact O-CB 3.48Å; N591-D594 PolarHBondContact O-N 3.19Å; N591-D594 VanDerWaalsContact O-N 3.11Å; D592-D594 VanDerWaalsContact C-N 3.27Å; D592-D594 PolarHBondContact O-N 3.07Å; D594-L596 VanDerWaalsContact C-N 3.32Å; D594-L596 PolarHBondContact O-N 2.79Å; D594-H597 PolarHBondContact O-N 3.33Å; D594-M598 WeakPolarHBondContact O-CB 3.42Å; D594-M598 PolarHBondContact O-N 3.05Å; D594-W726 PolarHBondContact OD1-NE1 3.31Å; D594-W726 VanDerWaalsContact OD1-NE1 3.09Å
595G92.3Very high93.8Very high11 Ų1138.2 Ų38.211%0.11319%0.188CC..Hα-helixtrans-66-31.4175.400000113.7E587 F593 R599E587-G595 VanDerWaalsContact O-CA 3.28Å; E587-G595 WeakPolarHBondContact O-CA 3.46Å; F593-G595 VanDerWaalsContact C-N 3.27Å; F593-G595 PolarHBondContact O-N 2.68Å; G595-R599 VanDerWaalsContact O-CG 3.3Å; G595-R599 WeakPolarHBondContact O-CG 3.45Å; G595-R599 PolarHBondContact O-N 2.82Å
596L95.1Very high94.1Very high6 Ų637.9 Ų37.93%0.03119%0.186CC..Hα-helixtrans-72.7-46171.3175.370.7000110.8F588 F593 D594 M598 R599 L600 F633 L634F588-L596 HydrophobicContact CB-CB 4.18Å; F593-L596 HydrophobicContact CB-CB 4.14Å; F593-L596 HydrophobicContact CB-CD2 4.31Å; F593-L596 HydrophobicContact CD1-CD2 4.09Å; F593-L596 CarbonylContact O-C 3.53Å; F593-L596 WeakPolarHBondContact O-CA 3.17Å; F593-L596 WeakPolarHBondContact O-CB 3.4Å; F593-L596 PolarHBondContact O-N 3.12Å; D594-L596 VanDerWaalsContact C-N 3.32Å; D594-L596 PolarHBondContact O-N 2.79Å; L596-M598 VanDerWaalsContact C-N 3.28Å; L596-M598 PolarHBondContact O-N 3.13Å; L596-R599 CarbonylContact O-C 3.54Å; L596-R599 WeakPolarHBondContact O-CA 3.19Å; L596-R599 WeakPolarHBondContact O-CB 3.27Å; L596-R599 PolarHBondContact O-N 3.04Å; L596-L600 HydrophobicContact CD1-CD1 4.43Å; L596-L600 HydrophobicContact CD1-CG 4.41Å; L596-L600 HydrophobicContact CD2-CD1 4.36Å; L596-L600 HydrophobicContact CG-CD1 3.93Å; L596-L600 HydrophobicContact CG-CG 4.33Å; L596-L600 WeakPolarHBondContact O-CG 3.31Å; L596-L600 PolarHBondContact O-N 3.01Å; L596-F633 HydrophobicContact CD1-CB 3.6Å; L596-F633 HydrophobicContact CD1-CD2 4.48Å; L596-F633 HydrophobicContact CD1-CG 4.26Å; L596-L634 HydrophobicContact CD1-CD2 4.41Å; L596-L634 HydrophobicContact CD1-CG 4.19Å; L596-L634 HydrophobicContact CD2-CD1 3.98Å; L596-L634 HydrophobicContact CD2-CD2 4.05Å; L596-L634 HydrophobicContact CD2-CG 3.98Å
597H95.7Very high94.4Very high80 Ų8036.6 Ų36.637%0.3718%0.181SC..Hα-helixtrans-58-41.1177.6-65.5132.7000111.5D592 F593 D594 R599 L600 Y601 W726D592-H597 PolarHBondContact O-CE1 3.11Å; F593-H597 PolarHBondContact O-N 3.02Å; F593-H597 PolarHBondContact O-ND1 2.81Å; D594-H597 PolarHBondContact O-N 3.33Å; H597-R599 VanDerWaalsContact C-N 3.3Å; H597-R599 PolarHBondContact O-N 2.97Å; H597-L600 PolarHBondContact O-N 2.83Å; H597-Y601 PolarHBondContact O-N 3.14Å; H597-W726 HydrophobicContact CB-CH2 3.79Å; H597-W726 HydrophobicContact CB-CZ2 3.52Å
598M95.8Very high94.6Very high17 Ų1737.5 Ų37.58%0.08419%0.185CC..Hα-helixtrans-56.8-41.1169.7-176.8176.152.300112.2D594 L596 Y601 Q602 A723 W726D594-M598 WeakPolarHBondContact O-CB 3.42Å; D594-M598 PolarHBondContact O-N 3.05Å; L596-M598 VanDerWaalsContact C-N 3.28Å; L596-M598 PolarHBondContact O-N 3.13Å; M598-Y601 PolarHBondContact O-N 3.4Å; M598-Q602 WeakPolarHBondContact O-CB 3.39Å; M598-Q602 VanDerWaalsContact O-CG 3.28Å; M598-Q602 WeakPolarHBondContact O-CG 3.31Å; M598-Q602 PolarHBondContact O-N 3.2Å; M598-A723 HydrophobicContact CG-CB 4.47Å; M598-A723 HydrophobicContact SD-CB 3.72Å; M598-W726 HydrophobicContact CB-CD2 4.45Å; M598-W726 HydrophobicContact CB-CG 3.98Å; M598-W726 HydrophobicContact CG-CB 4.15Å; M598-W726 HydrophobicContact CG-CG 3.95Å
599R96.5Very high94.8Very high2 Ų241.5 Ų41.51%0.00821%0.207CC..Hα-helixtrans-70.1-38.8178-57.3-31.7171.2158.24.4112.2L445 F588 G595 L596 H597 Y601 Q602 L603 F633 F662L445-R599 VanDerWaalsContact O-CZ 3.32Å; L445-R599 PolarHBondContact O-NH1 3Å; L445-R599 PolarHBondContact O-NH2 3.49Å; F588-R599 HydrophobicContact CD1-CG 4.18Å; F588-R599 HydrophobicContact CE1-CG 3.49Å; F588-R599 VanDerWaalsContact CE1-CG 3.49Å; F588-R599 HydrophobicContact CZ-CG 4.23Å; G595-R599 VanDerWaalsContact O-CG 3.3Å; G595-R599 WeakPolarHBondContact O-CG 3.45Å; G595-R599 PolarHBondContact O-N 2.82Å; L596-R599 CarbonylContact O-C 3.54Å; L596-R599 WeakPolarHBondContact O-CA 3.19Å; L596-R599 WeakPolarHBondContact O-CB 3.27Å; L596-R599 PolarHBondContact O-N 3.04Å; H597-R599 VanDerWaalsContact C-N 3.3Å; H597-R599 PolarHBondContact O-N 2.97Å; R599-Y601 VanDerWaalsContact C-N 3.33Å; R599-Q602 WeakPolarHBondContact O-CB 3.42Å; R599-Q602 PolarHBondContact O-N 3.48Å; R599-L603 PolarHBondContact O-N 2.86Å; R599-F633 HydrophobicContact CB-CD1 4.01Å; R599-F633 HydrophobicContact CB-CE1 3.89Å; R599-F633 HydrophobicContact CB-CG 4.39Å; R599-F633 HydrophobicContact CB-CZ 4.17Å; R599-F633 HydrophobicContact CG-CD1 4.38Å; R599-F633 HydrophobicContact CG-CE1 4.49Å; R599-F662 HydrophobicContact CB-CE1 4.47Å; R599-F662 HydrophobicContact CB-CZ 3.84Å; R599-F662 HydrophobicContact CG-CZ 4.23Å; R599-F662 VanDerWaalsContact O-CE1 3.3Å; R599-F662 WeakPolarHBondContact O-CE1 3.49Å
600L97.8Very high95.1Very high9 Ų942.5 Ų42.55%0.04721%0.212CC..Hα-helixtrans-63.8-40.2175.9-65.2167.9000110.9L596 H597 L603 D604 T625 H626 A629 F633L596-L600 HydrophobicContact CD1-CD1 4.43Å; L596-L600 HydrophobicContact CD1-CG 4.41Å; L596-L600 HydrophobicContact CD2-CD1 4.36Å; L596-L600 HydrophobicContact CG-CD1 3.93Å; L596-L600 HydrophobicContact CG-CG 4.33Å; L596-L600 WeakPolarHBondContact O-CG 3.31Å; L596-L600 PolarHBondContact O-N 3.01Å; H597-L600 PolarHBondContact O-N 2.83Å; L600-L603 PolarHBondContact O-N 3.45Å; L600-D604 WeakPolarHBondContact O-CB 3.41Å; L600-D604 PolarHBondContact O-N 3.02Å; L600-T625 HydrophobicContact CB-CG2 4.42Å; L600-T625 HydrophobicContact CD2-CG2 4.07Å; L600-H626 HydrophobicContact CD1-CB 3.79Å; L600-A629 HydrophobicContact CD2-CB 3.82Å; L600-F633 HydrophobicContact CD2-CD2 4.04Å; L600-F633 HydrophobicContact CD2-CE2 4.13Å
601Y97.6Very high95.4Very high36 Ų3642.1 Ų42.114%0.14121%0.209CC..Hα-helixtrans-63.9-45.3170.1-180-96.6000112.3H597 M598 R599 L603 D604 R605 Y722 E725 W726H597-Y601 PolarHBondContact O-N 3.14Å; M598-Y601 PolarHBondContact O-N 3.4Å; R599-Y601 VanDerWaalsContact C-N 3.33Å; Y601-L603 PolarHBondContact O-N 3.42Å; Y601-D604 PolarHBondContact O-N 3.41Å; Y601-R605 HydrophobicContact CD1-CG 4.11Å; Y601-R605 HydrophobicContact CD2-CG 4.41Å; Y601-R605 HydrophobicContact CE1-CG 3.68Å; Y601-R605 HydrophobicContact CE2-CG 4.02Å; Y601-R605 HydrophobicContact CG-CG 4.45Å; Y601-R605 VanDerWaalsContact O-CG 3.25Å; Y601-R605 WeakPolarHBondContact O-CG 3.41Å; Y601-R605 PolarHBondContact O-N 3.22Å; Y601-R605 WeakPolarHBondContact OH-CD 3.26Å; Y601-R605 PolarHBondContact OH-NE 2.99Å; Y601-Y722 WeakPolarHBondContact CE1-O 3.41Å; Y601-E725 HydrophobicContact CE1-CB 3.89Å; Y601-E725 PolarHBondContact OH-OE2 3.34Å; Y601-W726 HydrophobicContact CD1-CB 3.83Å; Y601-W726 HydrophobicContact CD1-CE3 4.22Å; Y601-W726 AromaticContact CD2-CE3 3.98Å; Y601-W726 HydrophobicContact CD2-CE3 3.98Å; Y601-W726 HydrophobicContact CD2-CZ3 4.42Å; Y601-W726 HydrophobicContact CE1-CB 4.29Å; Y601-W726 HydrophobicContact CG-CB 4.42Å; Y601-W726 HydrophobicContact CG-CD2 4.47Å; Y601-W726 AromaticContact CG-CE3 3.64Å; Y601-W726 HydrophobicContact CG-CE3 3.64Å; Y601-W726 HydrophobicContact CG-CZ3 4.35Å
602Q97.7Very high95.9Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-56.2-39.2174.2-75.7-179.8-44.800111.9H446 M598 R599 I606 F662 L719H446-Q602 PolarHBondContact O-NE2 3.31Å; H446-Q602 VanDerWaalsContact O-NE2 3.11Å; M598-Q602 WeakPolarHBondContact O-CB 3.39Å; M598-Q602 VanDerWaalsContact O-CG 3.28Å; M598-Q602 WeakPolarHBondContact O-CG 3.31Å; M598-Q602 PolarHBondContact O-N 3.2Å; R599-Q602 WeakPolarHBondContact O-CB 3.42Å; R599-Q602 PolarHBondContact O-N 3.48Å; Q602-I606 WeakPolarHBondContact O-CD1 3.27Å; Q602-I606 VanDerWaalsContact O-CG1 3.24Å; Q602-I606 WeakPolarHBondContact O-CG1 3.33Å; Q602-I606 PolarHBondContact O-N 3.04Å; Q602-F662 HydrophobicContact CB-CE1 3.53Å; Q602-F662 HydrophobicContact CB-CZ 3.62Å; Q602-F662 HydrophobicContact CG-CZ 4.43Å; Q602-F662 VanDerWaalsContact OE1-CZ 3.3Å; Q602-L719 HydrophobicContact CB-CD2 3.9Å; Q602-L719 HydrophobicContact CG-CD2 4.17Å; Q602-L719 VanDerWaalsContact NE2-C 3.32Å; Q602-L719 PolarHBondContact NE2-O 3.1Å
603L98.1Very high96.4Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-71.7-45.5177.9178.759.2000111.8R599 L600 Y601 R605 I606 I607 T625 A629 F633 F662R599-L603 PolarHBondContact O-N 2.86Å; L600-L603 PolarHBondContact O-N 3.45Å; Y601-L603 PolarHBondContact O-N 3.42Å; L603-R605 VanDerWaalsContact C-N 3.32Å; L603-R605 PolarHBondContact O-N 3.28Å; L603-I606 WeakPolarHBondContact O-CA 3.28Å; L603-I606 WeakPolarHBondContact O-CB 3.21Å; L603-I606 PolarHBondContact O-N 2.88Å; L603-I607 HydrophobicContact CD1-CD1 4.16Å; L603-I607 HydrophobicContact CD1-CG1 4.18Å; L603-I607 HydrophobicContact CG-CD1 3.88Å; L603-I607 HydrophobicContact CG-CG1 4.39Å; L603-I607 VanDerWaalsContact O-CG1 3.3Å; L603-I607 WeakPolarHBondContact O-CG1 3.49Å; L603-I607 PolarHBondContact O-N 3.45Å; L603-T625 HydrophobicContact CB-CG2 4.18Å; L603-T625 HydrophobicContact CD2-CG2 3.81Å; L603-T625 HydrophobicContact CG-CG2 4.03Å; L603-A629 HydrophobicContact CD2-CB 3.73Å; L603-F633 HydrophobicContact CB-CE2 4.39Å; L603-F633 HydrophobicContact CB-CZ 4.22Å; L603-F633 HydrophobicContact CD2-CE2 3.78Å; L603-F633 HydrophobicContact CD2-CZ 4.11Å; L603-F662 HydrophobicContact CB-CD1 4.15Å; L603-F662 HydrophobicContact CB-CE1 4Å; L603-F662 HydrophobicContact CD1-CD1 4.46Å
604D97.8Very high96.7Very high48 Ų4831.2 Ų31.226%0.25716%0.16SC..Hα-helixtrans-51.6-49.7174.1172.352.4000111.7L600 Y601 I606 I607 Q608L600-D604 WeakPolarHBondContact O-CB 3.41Å; L600-D604 PolarHBondContact O-N 3.02Å; Y601-D604 PolarHBondContact O-N 3.41Å; D604-I606 VanDerWaalsContact C-N 3.31Å; D604-I606 PolarHBondContact O-N 2.85Å; D604-I607 PolarHBondContact O-N 3.17Å; D604-I607 VanDerWaalsContact O-N 3.1Å; D604-Q608 WeakPolarHBondContact O-CG 3.45Å; D604-Q608 PolarHBondContact O-N 3.42Å; D604-Q608 PolarHBondContact OD1-NE2 3.27Å; D604-Q608 PolarHBondContact OD2-NE2 3.43Å
605R97.7Very high97Very high62 Ų6229.6 Ų29.623%0.23415%0.153CC..Hα-helixtrans-64.2-33.4177.5-58.1-66.8-81.6152.8-8.6112.8Y601 L603 D609 Y722 E725Y601-R605 HydrophobicContact CD1-CG 4.11Å; Y601-R605 HydrophobicContact CD2-CG 4.41Å; Y601-R605 HydrophobicContact CE1-CG 3.68Å; Y601-R605 HydrophobicContact CE2-CG 4.02Å; Y601-R605 HydrophobicContact CG-CG 4.45Å; Y601-R605 VanDerWaalsContact O-CG 3.25Å; Y601-R605 WeakPolarHBondContact O-CG 3.41Å; Y601-R605 PolarHBondContact O-N 3.22Å; Y601-R605 WeakPolarHBondContact OH-CD 3.26Å; Y601-R605 PolarHBondContact OH-NE 2.99Å; L603-R605 VanDerWaalsContact C-N 3.32Å; L603-R605 PolarHBondContact O-N 3.28Å; R605-D609 WeakPolarHBondContact O-CB 3.28Å; R605-D609 PolarHBondContact O-N 2.76Å; R605-Y722 HydrophobicContact CB-CD1 3.6Å; R605-Y722 HydrophobicContact CB-CD2 3.98Å; R605-Y722 HydrophobicContact CB-CE1 3.68Å; R605-Y722 HydrophobicContact CB-CE2 4.08Å; R605-Y722 HydrophobicContact CB-CG 3.78Å; R605-Y722 HydrophobicContact CG-CD1 3.99Å; R605-Y722 HydrophobicContact CG-CE1 4.45Å; R605-Y722 HydrophobicContact CG-CG 4.22Å; R605-E725 IonicContact CZ-OE2 3.43Å; R605-E725 IonicContact NE-OE2 2.83Å; R605-E725 PolarHBondContact NE-OE2 2.83Å; R605-E725 IonicContact NH2-OE1 3.56Å; R605-E725 IonicContact NH2-OE2 3.3Å; R605-E725 PolarHBondContact NH2-OE2 2.73Å
606I97.8Very high97.3Very high1 Ų135.3 Ų35.31%0.00518%0.175CC..Hα-helixtrans-68-39.1173-74.7165.7000111.5Q602 L603 D604 D609 Q610 F662 L666 V714 L719 Y722Q602-I606 WeakPolarHBondContact O-CD1 3.27Å; Q602-I606 VanDerWaalsContact O-CG1 3.24Å; Q602-I606 WeakPolarHBondContact O-CG1 3.33Å; Q602-I606 PolarHBondContact O-N 3.04Å; L603-I606 WeakPolarHBondContact O-CA 3.28Å; L603-I606 WeakPolarHBondContact O-CB 3.21Å; L603-I606 PolarHBondContact O-N 2.88Å; D604-I606 VanDerWaalsContact C-N 3.31Å; D604-I606 PolarHBondContact O-N 2.85Å; I606-D609 PolarHBondContact O-N 3.14Å; I606-Q610 WeakPolarHBondContact O-CB 3.5Å; I606-Q610 PolarHBondContact O-N 2.7Å; I606-Q610 VanDerWaalsContact O-N 3.08Å; I606-F662 HydrophobicContact CD1-CB 4.32Å; I606-F662 HydrophobicContact CD1-CD1 3.85Å; I606-F662 HydrophobicContact CD1-CG 4.29Å; I606-L666 HydrophobicContact CG2-CB 4.33Å; I606-L666 HydrophobicContact CG2-CD1 4.14Å; I606-L666 HydrophobicContact CG2-CD2 3.89Å; I606-L666 HydrophobicContact CG2-CG 4.34Å; I606-V714 HydrophobicContact CD1-CG1 3.84Å; I606-V714 HydrophobicContact CD1-CG2 4.31Å; I606-V714 HydrophobicContact CG2-CG2 4.33Å; I606-L719 HydrophobicContact CD1-CD2 3.76Å; I606-Y722 HydrophobicContact CG1-CD2 4.43Å; I606-Y722 HydrophobicContact CG1-CE2 3.85Å
607I97.8Very high97.4Very high3 Ų336.9 Ų36.92%0.01518%0.182CC..Hα-helixtrans-66.9-45.9176.4-61.8162.3000109.4L603 D604 D609 Q610 L611 A615 F628 L669L603-I607 HydrophobicContact CD1-CD1 4.16Å; L603-I607 HydrophobicContact CD1-CG1 4.18Å; L603-I607 HydrophobicContact CG-CD1 3.88Å; L603-I607 HydrophobicContact CG-CG1 4.39Å; L603-I607 VanDerWaalsContact O-CG1 3.3Å; L603-I607 WeakPolarHBondContact O-CG1 3.49Å; L603-I607 PolarHBondContact O-N 3.45Å; D604-I607 PolarHBondContact O-N 3.17Å; D604-I607 VanDerWaalsContact O-N 3.1Å; I607-D609 VanDerWaalsContact C-N 3.35Å; I607-D609 PolarHBondContact O-N 2.94Å; I607-Q610 PolarHBondContact O-N 3.07Å; I607-L611 HydrophobicContact CG2-CB 4.15Å; I607-L611 CarbonylContact O-C 3.55Å; I607-L611 VanDerWaalsContact O-CA 3.26Å; I607-L611 WeakPolarHBondContact O-CA 3.47Å; I607-L611 PolarHBondContact O-N 2.95Å; I607-A615 HydrophobicContact CG2-CB 4.04Å; I607-F628 HydrophobicContact CD1-CZ 4.39Å; I607-L669 HydrophobicContact CD1-CD1 3.42Å; I607-L669 VanDerWaalsContact CD1-CD1 3.42Å; I607-L669 HydrophobicContact CG1-CD1 3.69Å
608Q97.2Very high97.5Very high69 Ų6933.6 Ų33.632%0.32217%0.167SC..Hα-helixtrans-56.6-44.9174-69.7166.216.800112.5D604 A615D604-Q608 WeakPolarHBondContact O-CG 3.45Å; D604-Q608 PolarHBondContact O-N 3.42Å; D604-Q608 PolarHBondContact OD1-NE2 3.27Å; D604-Q608 PolarHBondContact OD2-NE2 3.43Å; Q608-A615 HydrophobicContact CB-CB 4.41Å; Q608-A615 HydrophobicContact CG-CB 3.93Å
609D96.7Very high97.6Very high83 Ų8337 Ų3744%0.44419%0.193SC..Hα-helixtrans-71.5-28-178.6-94.429.8000114.4R605 I606 I607 K718 Y722R605-D609 WeakPolarHBondContact O-CB 3.28Å; R605-D609 PolarHBondContact O-N 2.76Å; I606-D609 PolarHBondContact O-N 3.14Å; I607-D609 VanDerWaalsContact C-N 3.35Å; I607-D609 PolarHBondContact O-N 2.94Å; D609-K718 IonicContact OD2-NZ 3.51Å; D609-K718 PolarHBondContact OD2-NZ 3.2Å; D609-Y722 VanDerWaalsContact CG-OH 3.3Å; D609-Y722 PolarHBondContact OD2-OH 2.89Å
610Q96.8Very high97.6Very high43 Ų4342.1 Ų42.120%0.20122%0.22CC..Hα-helixtrans-125.2-15.4-167.9-60.2-167.965.100115.2I606 I607 L666 K713I606-Q610 WeakPolarHBondContact O-CB 3.5Å; I606-Q610 PolarHBondContact O-N 2.7Å; I606-Q610 VanDerWaalsContact O-N 3.08Å; I607-Q610 PolarHBondContact O-N 3.07Å; Q610-L666 HydrophobicContact CB-CD1 4.23Å; Q610-L666 HydrophobicContact CB-CD2 4.44Å; Q610-K713 PolarHBondContact NE2-O 3.32Å; Q610-K713 VanDerWaalsContact NE2-O 3.15Å
611L97.1Very high97.6Very high2 Ų244.1 Ų44.11%0.0123%0.231CC..  trans-138.256.2176.7-70.5177.8000109.9I607 D613 V614 A615 L666 L669 Q670I607-L611 HydrophobicContact CG2-CB 4.15Å; I607-L611 CarbonylContact O-C 3.55Å; I607-L611 VanDerWaalsContact O-CA 3.26Å; I607-L611 WeakPolarHBondContact O-CA 3.47Å; I607-L611 PolarHBondContact O-N 2.95Å; L611-D613 PolarHBondContact O-N 3.07Å; L611-D613 VanDerWaalsContact O-N 3.14Å; L611-V614 HydrophobicContact CB-CB 4.07Å; L611-V614 HydrophobicContact CB-CG2 4.14Å; L611-V614 HydrophobicContact CD1-CG2 4.48Å; L611-V614 HydrophobicContact CD2-CG2 4.44Å; L611-V614 PolarHBondContact O-N 3.02Å; L611-A615 PolarHBondContact O-N 3.44Å; L611-L666 HydrophobicContact CD1-CD1 3.94Å; L611-L666 HydrophobicContact CG-CD1 4.2Å; L611-L669 HydrophobicContact CD1-CB 3.67Å; L611-Q670 HydrophobicContact CD1-CG 3.99Å; L611-Q670 HydrophobicContact CD2-CG 3.94Å; L611-Q670 HydrophobicContact CG-CG 4.16Å
612P97.8Very high97.5Very high83 Ų8344.6 Ų44.654%0.53925%0.247SC..Hα-helixtrans-62.3-25.1-170.725.5-36000113.9K616P612-K616 VanDerWaalsContact O-CB 3.32Å; P612-K616 WeakPolarHBondContact O-CB 3.48Å; P612-K616 PolarHBondContact O-N 3.32Å
613D98.2Very high97.4Very high50 Ų5045.1 Ų45.127%0.26725%0.249SC..Hα-helixtrans-72.9-42.8173.557.4-28.3000112.4L611 K616 H617 R673 L677L611-D613 PolarHBondContact O-N 3.07Å; L611-D613 VanDerWaalsContact O-N 3.14Å; D613-K616 PolarHBondContact O-N 3Å; D613-H617 WeakPolarHBondContact O-CB 3.25Å; D613-H617 PolarHBondContact O-N 3.19Å; D613-R673 IonicContact OD1-CZ 3.42Å; D613-R673 IonicContact OD1-NE 3.46Å; D613-R673 PolarHBondContact OD1-NE 3.23Å; D613-R673 IonicContact OD1-NH2 3.99Å; D613-R673 PolarHBondContact OD1-NH2 3.14Å; D613-R673 IonicContact OD2-CZ 2.75Å; D613-R673 IonicContact OD2-NE 3.65Å; D613-R673 PolarHBondContact OD2-NE 3.48Å; D613-R673 IonicContact OD2-NH2 3.68Å; D613-R673 PolarHBondContact OD2-NH2 3.37Å; D613-L677 HydrophobicContact CB-CD2 4.39Å; D613-L677 WeakPolarHBondContact OD2-CD1 3.43Å
614V98Very high97.3Very high0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-66.8-41.6172.9-1740000110.5L611 K616 H617 F618 R673 L676 L677L611-V614 HydrophobicContact CB-CB 4.07Å; L611-V614 HydrophobicContact CB-CG2 4.14Å; L611-V614 HydrophobicContact CD1-CG2 4.48Å; L611-V614 HydrophobicContact CD2-CG2 4.44Å; L611-V614 PolarHBondContact O-N 3.02Å; V614-K616 VanDerWaalsContact C-N 3.33Å; V614-K616 PolarHBondContact O-N 2.87Å; V614-H617 PolarHBondContact O-N 2.83Å; V614-F618 HydrophobicContact CG1-CD1 4.03Å; V614-F618 HydrophobicContact CG1-CD2 4.29Å; V614-F618 HydrophobicContact CG1-CE1 3.66Å; V614-F618 HydrophobicContact CG1-CE2 3.95Å; V614-F618 HydrophobicContact CG1-CG 4.35Å; V614-F618 HydrophobicContact CG1-CZ 3.62Å; V614-F618 WeakPolarHBondContact O-CB 3.4Å; V614-F618 WeakPolarHBondContact O-CD1 3.38Å; V614-F618 WeakPolarHBondContact O-CG 3.44Å; V614-F618 PolarHBondContact O-N 2.85Å; V614-R673 HydrophobicContact CG2-CB 4.33Å; V614-R673 HydrophobicContact CG2-CG 3.75Å; V614-L676 HydrophobicContact CG1-CD1 4.34Å; V614-L677 HydrophobicContact CG2-CD2 4.33Å; V614-L677 HydrophobicContact CG2-CG 4.42Å
615A97.9Very high97.2Very high16 Ų1648.9 Ų48.913%0.13227%0.266CS..Hα-helixtrans-58.2-45.9175.300000111.5I607 Q608 L611 S619I607-A615 HydrophobicContact CG2-CB 4.04Å; Q608-A615 HydrophobicContact CB-CB 4.41Å; Q608-A615 HydrophobicContact CG-CB 3.93Å; L611-A615 PolarHBondContact O-N 3.44Å; A615-S619 WeakPolarHBondContact O-CB 3.15Å; A615-S619 PolarHBondContact O-N 3.19Å
616K97.9Very high97.1Very high132 Ų13249.9 Ų49.957%0.57427%0.273SS*.Hα-helixtrans-63.2-48.2175.8-167.3-160.9172.9-141.30111.3P612 D613 V614 F618 S619 D620P612-K616 VanDerWaalsContact O-CB 3.32Å; P612-K616 WeakPolarHBondContact O-CB 3.48Å; P612-K616 PolarHBondContact O-N 3.32Å; D613-K616 PolarHBondContact O-N 3Å; V614-K616 VanDerWaalsContact C-N 3.33Å; V614-K616 PolarHBondContact O-N 2.87Å; K616-F618 VanDerWaalsContact C-N 3.32Å; K616-F618 PolarHBondContact O-N 2.98Å; K616-S619 CarbonylContact O-C 3.35Å; K616-S619 WeakPolarHBondContact O-CB 3.44Å; K616-S619 PolarHBondContact O-N 3.29Å; K616-S619 VanDerWaalsContact O-N 3.1Å; K616-D620 WeakPolarHBondContact CE-OD2 3.33Å; K616-D620 IonicContact NZ-OD2 3.31Å; K616-D620 PolarHBondContact NZ-OD2 2.88Å; K616-D620 WeakPolarHBondContact O-CB 3.43Å; K616-D620 VanDerWaalsContact O-CG 3.3Å; K616-D620 PolarHBondContact O-N 3.4Å
617H98.1Very high97Very high39 Ų3953.2 Ų53.218%0.18129%0.29CS..Hα-helixtrans-58.3-42.7178.8-173.264.9000112.4D613 V614 D620 L621 L676 L677 L679D613-H617 WeakPolarHBondContact O-CB 3.25Å; D613-H617 PolarHBondContact O-N 3.19Å; V614-H617 PolarHBondContact O-N 2.83Å; H617-D620 PolarHBondContact O-N 3.16Å; H617-L621 WeakPolarHBondContact NE2-CD1 3.33Å; H617-L621 WeakPolarHBondContact O-CB 3.46Å; H617-L621 WeakPolarHBondContact O-CG 3.23Å; H617-L621 PolarHBondContact O-N 3.48Å; H617-L676 PolarHBondContact CD2-O 3.46Å; H617-L676 VanDerWaalsContact CD2-O 3.29Å; H617-L676 PolarHBondContact NE2-O 2.94Å; H617-L676 VanDerWaalsContact NE2-O 3.15Å; H617-L677 HydrophobicContact CB-CD2 3.8Å; H617-L679 PolarHBondContact CE1-O 2.9Å; H617-L679 PolarHBondContact NE2-O 2.77Å
618F97.9Very high96.9Very high10 Ų1054 Ų544%0.04429%0.293CS..Hα-helixtrans-63.7-41.8174.7-72.95.6000111.6V614 K616 L621 G622 L623 F628 L669 L676 V684V614-F618 HydrophobicContact CG1-CD1 4.03Å; V614-F618 HydrophobicContact CG1-CD2 4.29Å; V614-F618 HydrophobicContact CG1-CE1 3.66Å; V614-F618 HydrophobicContact CG1-CE2 3.95Å; V614-F618 HydrophobicContact CG1-CG 4.35Å; V614-F618 HydrophobicContact CG1-CZ 3.62Å; V614-F618 WeakPolarHBondContact O-CB 3.4Å; V614-F618 WeakPolarHBondContact O-CD1 3.38Å; V614-F618 WeakPolarHBondContact O-CG 3.44Å; V614-F618 PolarHBondContact O-N 2.85Å; K616-F618 VanDerWaalsContact C-N 3.32Å; K616-F618 PolarHBondContact O-N 2.98Å; F618-L621 CarbonylContact O-C 3.58Å; F618-L621 PolarHBondContact O-N 3.21Å; F618-G622 PolarHBondContact O-N 3.34Å; F618-L623 HydrophobicContact CB-CB 4.21Å; F618-L623 HydrophobicContact CB-CD2 4.4Å; F618-L623 HydrophobicContact CD1-CD2 3.74Å; F618-L623 HydrophobicContact CD2-CD2 3.89Å; F618-L623 HydrophobicContact CE1-CD2 3.86Å; F618-L623 HydrophobicContact CE2-CD2 4Å; F618-L623 HydrophobicContact CG-CB 4.47Å; F618-L623 HydrophobicContact CG-CD2 3.76Å; F618-L623 HydrophobicContact CZ-CD2 3.97Å; F618-L623 PolarHBondContact O-N 3.14Å; F618-F628 HydrophobicContact CD2-CE1 4.12Å; F618-F628 HydrophobicContact CD2-CZ 4.33Å; F618-F628 AromaticContact CE2-CE1 3.8Å; F618-F628 HydrophobicContact CE2-CE1 3.8Å; F618-F628 AromaticContact CE2-CZ 3.79Å; F618-F628 HydrophobicContact CE2-CZ 3.79Å; F618-L669 HydrophobicContact CE2-CD2 4.38Å; F618-L669 HydrophobicContact CZ-CD2 4.32Å; F618-L676 HydrophobicContact CE1-CB 4.46Å; F618-L676 HydrophobicContact CE1-CD2 4.49Å; F618-L676 HydrophobicContact CZ-CD1 4.17Å; F618-L676 HydrophobicContact CZ-CD2 4.39Å; F618-V684 HydrophobicContact CE1-CG1 3.79Å; F618-V684 HydrophobicContact CE1-CG2 4.29Å; F618-V684 HydrophobicContact CZ-CG1 4.02Å
619S96.9Very high96.9Very high90 Ų9050.7 Ų50.763%0.62928%0.278SS*.Hα-helixtrans-64.5-41.3174.1-171.80000113A615 K616 L621 G622A615-S619 WeakPolarHBondContact O-CB 3.15Å; A615-S619 PolarHBondContact O-N 3.19Å; K616-S619 CarbonylContact O-C 3.35Å; K616-S619 WeakPolarHBondContact O-CB 3.44Å; K616-S619 PolarHBondContact O-N 3.29Å; K616-S619 VanDerWaalsContact O-N 3.1Å; S619-L621 PolarHBondContact O-N 2.84Å; S619-G622 PolarHBondContact O-N 2.81Å
620D97.6Very high96.8Very high109 Ų10948.1 Ų48.158%0.58327%0.266SS*.Hα-helixtrans-66.3-28.1178.5-70.4-16.3000110.7K616 H617K616-D620 WeakPolarHBondContact CE-OD2 3.33Å; K616-D620 IonicContact NZ-OD2 3.31Å; K616-D620 PolarHBondContact NZ-OD2 2.88Å; K616-D620 WeakPolarHBondContact O-CB 3.43Å; K616-D620 VanDerWaalsContact O-CG 3.3Å; K616-D620 PolarHBondContact O-N 3.4Å; H617-D620 PolarHBondContact O-N 3.16Å
621L97Very high96.6Very high51 Ų5150.8 Ų50.827%0.26728%0.279SS..THydrogen-bonded Turntrans-88.2-8.8173.6-70.1177.1000115H617 F618 S619 L623 V684H617-L621 WeakPolarHBondContact NE2-CD1 3.33Å; H617-L621 WeakPolarHBondContact O-CB 3.46Å; H617-L621 WeakPolarHBondContact O-CG 3.23Å; H617-L621 PolarHBondContact O-N 3.48Å; F618-L621 CarbonylContact O-C 3.58Å; F618-L621 PolarHBondContact O-N 3.21Å; S619-L621 PolarHBondContact O-N 2.84Å; L621-L623 VanDerWaalsContact C-N 3.3Å; L621-L623 PolarHBondContact O-N 3.43Å; L621-V684 HydrophobicContact CD1-CG2 4.29Å
622G95.9Very high96.6Very high46 Ų4651.3 Ų51.347%0.47428%0.281SS..THydrogen-bonded Turntrans67.924.7-171.600000114.4F618 S619F618-G622 PolarHBondContact O-N 3.34Å; S619-G622 PolarHBondContact O-N 2.81Å
623L96.1Very high96.5Very high11 Ų1147.4 Ų47.46%0.05826%0.255CS..  trans-85.8116.7179.7-174.178.2000111.3F618 L621 M627 F628 F681 V684 L685F618-L623 HydrophobicContact CB-CB 4.21Å; F618-L623 HydrophobicContact CB-CD2 4.4Å; F618-L623 HydrophobicContact CD1-CD2 3.74Å; F618-L623 HydrophobicContact CD2-CD2 3.89Å; F618-L623 HydrophobicContact CE1-CD2 3.86Å; F618-L623 HydrophobicContact CE2-CD2 4Å; F618-L623 HydrophobicContact CG-CB 4.47Å; F618-L623 HydrophobicContact CG-CD2 3.76Å; F618-L623 HydrophobicContact CZ-CD2 3.97Å; F618-L623 PolarHBondContact O-N 3.14Å; L621-L623 VanDerWaalsContact C-N 3.3Å; L621-L623 PolarHBondContact O-N 3.43Å; L623-M627 HydrophobicContact CD1-CB 4.45Å; L623-M627 HydrophobicContact CD1-SD 4Å; L623-F628 HydrophobicContact CD2-CD1 4.14Å; L623-F628 HydrophobicContact CD2-CE1 4.18Å; L623-F628 HydrophobicContact CG-CD1 4.35Å; L623-F628 HydrophobicContact CG-CE1 4.48Å; L623-F681 HydrophobicContact CB-CD2 4.29Å; L623-F681 HydrophobicContact CB-CE2 4.41Å; L623-F681 HydrophobicContact CD1-CD2 3.99Å; L623-F681 HydrophobicContact CD1-CE2 3.75Å; L623-F681 HydrophobicContact CD1-CZ 4.42Å; L623-V684 HydrophobicContact CD2-CB 4.32Å; L623-V684 HydrophobicContact CD2-CG1 3.42Å; L623-V684 VanDerWaalsContact CD2-CG1 3.42Å; L623-L685 HydrophobicContact CD1-CD1 4.32Å; L623-L685 HydrophobicContact CD1-CD2 3.75Å; L623-L685 HydrophobicContact CD1-CG 3.87Å
624E95.1Very high96.2Very high112 Ų11246.6 Ų46.652%0.52325%0.251SS..  trans-95.3148.2177.4-65.5-173.7-150.600113.3H626 M627E624-H626 WeakPolarHBondContact CB-ND1 3.13Å; E624-H626 PolarHBondContact O-N 3.48Å; E624-H626 VanDerWaalsContact O-N 3.11Å; E624-H626 IonicContact OE2-CE1 3.31Å; E624-H626 PolarHBondContact OE2-CE1 3.14Å; E624-H626 IonicContact OE2-ND1 3.11Å; E624-H626 PolarHBondContact OE2-ND1 3.07Å; E624-M627 HydrophobicContact CB-CE 4.03Å; E624-M627 HydrophobicContact CB-CG 4.22Å; E624-M627 HydrophobicContact CB-SD 4.33Å; E624-M627 HydrophobicContact CG-CE 4.14Å; E624-M627 VanDerWaalsContact O-CB 3.31Å; E624-M627 WeakPolarHBondContact O-CB 3.42Å; E624-M627 WeakPolarHBondContact O-CG 3.49Å; E624-M627 PolarHBondContact O-N 3.38Å
625T96.4Very high96.1Very high15 Ų1547 Ų479%0.09225%0.253CS..Hα-helixtrans-55.1-33.1-179.9-47.30000113.5L600 L603 M627 F628 A629L600-T625 HydrophobicContact CB-CG2 4.42Å; L600-T625 HydrophobicContact CD2-CG2 4.07Å; L603-T625 HydrophobicContact CB-CG2 4.18Å; L603-T625 HydrophobicContact CD2-CG2 3.81Å; L603-T625 HydrophobicContact CG-CG2 4.03Å; T625-M627 PolarHBondContact O-N 3.34Å; T625-F628 HydrophobicContact CG2-CZ 4.14Å; T625-F628 PolarHBondContact O-N 2.87Å; T625-A629 HydrophobicContact CG2-CB 3.99Å; T625-A629 WeakPolarHBondContact O-CB 3.29Å; T625-A629 PolarHBondContact O-N 3.31Å
626H95.2Very high96Very high82 Ų8246.4 Ų46.438%0.3825%0.248SC..Hα-helixtrans-64.2-27.817981.6-103.9000112.8L600 E624 F628 S630L600-H626 HydrophobicContact CD1-CB 3.79Å; E624-H626 WeakPolarHBondContact CB-ND1 3.13Å; E624-H626 PolarHBondContact O-N 3.48Å; E624-H626 VanDerWaalsContact O-N 3.11Å; E624-H626 IonicContact OE2-CE1 3.31Å; E624-H626 PolarHBondContact OE2-CE1 3.14Å; E624-H626 IonicContact OE2-ND1 3.11Å; E624-H626 PolarHBondContact OE2-ND1 3.07Å; H626-F628 VanDerWaalsContact C-N 3.32Å; H626-F628 PolarHBondContact O-N 2.69Å; H626-S630 PolarHBondContact O-OG 2.97Å
627M95.9Very high95.9Very high72 Ų7240.2 Ų40.236%0.35522%0.221SC..Hα-helixtrans-70.2-26.9-175-58.7178.2178.700112.8L623 E624 T625 F681 L685L623-M627 HydrophobicContact CD1-CB 4.45Å; L623-M627 HydrophobicContact CD1-SD 4Å; E624-M627 HydrophobicContact CB-CE 4.03Å; E624-M627 HydrophobicContact CB-CG 4.22Å; E624-M627 HydrophobicContact CB-SD 4.33Å; E624-M627 HydrophobicContact CG-CE 4.14Å; E624-M627 VanDerWaalsContact O-CB 3.31Å; E624-M627 WeakPolarHBondContact O-CB 3.42Å; E624-M627 WeakPolarHBondContact O-CG 3.49Å; E624-M627 PolarHBondContact O-N 3.38Å; T625-M627 PolarHBondContact O-N 3.34Å; M627-F681 HydrophobicContact SD-CE2 3.84Å; M627-F681 HydrophobicContact SD-CZ 3.92Å; M627-L685 HydrophobicContact CB-CD2 4.2Å
628F95.3Very high95.7Very high19 Ų1938.4 Ų38.48%0.08321%0.212CC..Hα-helixtrans-120.7-36.4-178.165.5-95.8000114.4I607 F618 L623 T625 H626 W632 L669 L685 L688I607-F628 HydrophobicContact CD1-CZ 4.39Å; F618-F628 HydrophobicContact CD2-CE1 4.12Å; F618-F628 HydrophobicContact CD2-CZ 4.33Å; F618-F628 AromaticContact CE2-CE1 3.8Å; F618-F628 HydrophobicContact CE2-CE1 3.8Å; F618-F628 AromaticContact CE2-CZ 3.79Å; F618-F628 HydrophobicContact CE2-CZ 3.79Å; L623-F628 HydrophobicContact CD2-CD1 4.14Å; L623-F628 HydrophobicContact CD2-CE1 4.18Å; L623-F628 HydrophobicContact CG-CD1 4.35Å; L623-F628 HydrophobicContact CG-CE1 4.48Å; T625-F628 HydrophobicContact CG2-CZ 4.14Å; T625-F628 PolarHBondContact O-N 2.87Å; H626-F628 VanDerWaalsContact C-N 3.32Å; H626-F628 PolarHBondContact O-N 2.69Å; F628-W632 AromaticContact CD2-CH2 3.57Å; F628-W632 HydrophobicContact CD2-CH2 3.57Å; F628-W632 AromaticContact CD2-CZ2 3.86Å; F628-W632 HydrophobicContact CD2-CZ2 3.86Å; F628-W632 HydrophobicContact CD2-CZ3 4Å; F628-W632 AromaticContact CE2-CH2 3.74Å; F628-W632 HydrophobicContact CE2-CH2 3.74Å; F628-W632 HydrophobicContact CE2-CZ2 4.47Å; F628-W632 AromaticContact CE2-CZ3 3.87Å; F628-W632 HydrophobicContact CE2-CZ3 3.87Å; F628-L669 HydrophobicContact CE2-CD1 4.37Å; F628-L669 HydrophobicContact CE2-CD2 4.43Å; F628-L685 HydrophobicContact CB-CD2 4.33Å; F628-L688 HydrophobicContact CB-CD1 3.7Å; F628-L688 HydrophobicContact CD1-CD1 4.1Å; F628-L688 HydrophobicContact CD2-CD1 3.9Å; F628-L688 HydrophobicContact CG-CD1 3.65Å
629A96.8Very high95.5Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-89-12.3-170.200000114.6L600 L603 T625 Q631 W632 F633L600-A629 HydrophobicContact CD2-CB 3.82Å; L603-A629 HydrophobicContact CD2-CB 3.73Å; T625-A629 HydrophobicContact CG2-CB 3.99Å; T625-A629 WeakPolarHBondContact O-CB 3.29Å; T625-A629 PolarHBondContact O-N 3.31Å; A629-Q631 VanDerWaalsContact C-N 3.31Å; A629-Q631 PolarHBondContact O-N 2.84Å; A629-W632 HydrophobicContact CB-CD2 4.17Å; A629-W632 HydrophobicContact CB-CE3 3.81Å; A629-W632 HydrophobicContact CB-CZ3 4.25Å; A629-W632 WeakPolarHBondContact O-CA 3.39Å; A629-W632 VanDerWaalsContact O-CB 3.25Å; A629-W632 WeakPolarHBondContact O-CB 3.43Å; A629-W632 PolarHBondContact O-N 2.82Å; A629-F633 HydrophobicContact CB-CE2 4.3Å; A629-F633 WeakPolarHBondContact O-CD2 3.25Å; A629-F633 PolarHBondContact O-N 3.23Å
630S94.8Very high95.3Very high29 Ų2936.6 Ų36.620%0.20319%0.194CC..Hα-helixtrans-56.2-41.6-175.8-62.90000113.1H626 W632 L634H626-S630 PolarHBondContact O-OG 2.97Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.18Å; S630-L634 WeakPolarHBondContact O-CB 3.45Å; S630-L634 VanDerWaalsContact O-CG 3.28Å; S630-L634 WeakPolarHBondContact O-CG 3.49Å; S630-L634 PolarHBondContact O-N 3.35Å
631Q92.9Very high95.1Very high98 Ų9831.6 Ų31.646%0.45817%0.167SC..Hα-helixtrans-69.3-26.1175.9-68.6-1739.200113.3A629 T635A629-Q631 VanDerWaalsContact C-N 3.31Å; A629-Q631 PolarHBondContact O-N 2.84Å; Q631-T635 WeakPolarHBondContact O-CB 3.22Å; Q631-T635 PolarHBondContact O-N 2.96Å; Q631-T635 VanDerWaalsContact O-N 3.11Å; Q631-T635 PolarHBondContact O-OG1 2.95Å
632W96.5Very high95Very high14 Ų1429.2 Ų29.25%0.05315%0.154CC..Hα-helixtrans-65.7-43.5178.6-58-6.8000110.8F628 A629 S630 L636 F637 L669 L688 M692F628-W632 AromaticContact CD2-CH2 3.57Å; F628-W632 HydrophobicContact CD2-CH2 3.57Å; F628-W632 AromaticContact CD2-CZ2 3.86Å; F628-W632 HydrophobicContact CD2-CZ2 3.86Å; F628-W632 HydrophobicContact CD2-CZ3 4Å; F628-W632 AromaticContact CE2-CH2 3.74Å; F628-W632 HydrophobicContact CE2-CH2 3.74Å; F628-W632 HydrophobicContact CE2-CZ2 4.47Å; F628-W632 AromaticContact CE2-CZ3 3.87Å; F628-W632 HydrophobicContact CE2-CZ3 3.87Å; A629-W632 HydrophobicContact CB-CD2 4.17Å; A629-W632 HydrophobicContact CB-CE3 3.81Å; A629-W632 HydrophobicContact CB-CZ3 4.25Å; A629-W632 WeakPolarHBondContact O-CA 3.39Å; A629-W632 VanDerWaalsContact O-CB 3.25Å; A629-W632 WeakPolarHBondContact O-CB 3.43Å; A629-W632 PolarHBondContact O-N 2.82Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.18Å; W632-L636 CarbonylContact O-C 3.59Å; W632-L636 WeakPolarHBondContact O-CA 3.49Å; W632-L636 PolarHBondContact O-N 3.4Å; W632-L636 VanDerWaalsContact O-N 3.09Å; W632-F637 HydrophobicContact CB-CD1 3.94Å; W632-F637 HydrophobicContact CB-CE1 3.46Å; W632-F637 VanDerWaalsContact CB-CE1 3.46Å; W632-F637 HydrophobicContact CB-CE2 4.47Å; W632-F637 HydrophobicContact CB-CZ 3.78Å; W632-F637 AromaticContact CD1-CE1 3.94Å; W632-F637 AromaticContact CD2-CE1 3.71Å; W632-F637 HydrophobicContact CD2-CE1 3.71Å; W632-F637 HydrophobicContact CD2-CZ 4.38Å; W632-F637 HydrophobicContact CE3-CE1 4.12Å; W632-F637 HydrophobicContact CE3-CZ 4.41Å; W632-F637 AromaticContact CG-CD1 3.93Å; W632-F637 HydrophobicContact CG-CD1 3.93Å; W632-F637 AromaticContact CG-CE1 3.42Å; W632-F637 HydrophobicContact CG-CE1 3.42Å; W632-F637 VanDerWaalsContact CG-CE1 3.42Å; W632-F637 HydrophobicContact CG-CZ 4.15Å; W632-F637 PolarHBondContact O-N 3.34Å; W632-F637 VanDerWaalsContact O-N 3.07Å; W632-L669 HydrophobicContact CH2-CD2 4.2Å; W632-L669 HydrophobicContact CH2-CG 4.31Å; W632-L669 HydrophobicContact CZ3-CG 4.48Å; W632-L688 HydrophobicContact CH2-CD2 4.48Å; W632-L688 HydrophobicContact CZ2-CD2 4.45Å; W632-M692 HydrophobicContact CH2-CE 4.02Å; W632-M692 HydrophobicContact CZ2-CE 3.65Å
633F95.6Very high94.8Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-75.9-54.3175.3-68.4-79.4000112.4F588 L596 R599 L600 L603 A629 T635 L636 I661 F662F588-F633 HydrophobicContact CE2-CB 4.17Å; F588-F633 HydrophobicContact CZ-CB 4.44Å; F588-F633 HydrophobicContact CZ-CD1 4.35Å; L596-F633 HydrophobicContact CD1-CB 3.6Å; L596-F633 HydrophobicContact CD1-CD2 4.48Å; L596-F633 HydrophobicContact CD1-CG 4.26Å; R599-F633 HydrophobicContact CB-CD1 4.01Å; R599-F633 HydrophobicContact CB-CE1 3.89Å; R599-F633 HydrophobicContact CB-CG 4.39Å; R599-F633 HydrophobicContact CB-CZ 4.17Å; R599-F633 HydrophobicContact CG-CD1 4.38Å; R599-F633 HydrophobicContact CG-CE1 4.49Å; L600-F633 HydrophobicContact CD2-CD2 4.04Å; L600-F633 HydrophobicContact CD2-CE2 4.13Å; L603-F633 HydrophobicContact CB-CE2 4.39Å; L603-F633 HydrophobicContact CB-CZ 4.22Å; L603-F633 HydrophobicContact CD2-CE2 3.78Å; L603-F633 HydrophobicContact CD2-CZ 4.11Å; A629-F633 HydrophobicContact CB-CE2 4.3Å; A629-F633 WeakPolarHBondContact O-CD2 3.25Å; A629-F633 PolarHBondContact O-N 3.23Å; F633-T635 PolarHBondContact O-N 3.16Å; F633-T635 VanDerWaalsContact O-N 3.15Å; F633-L636 PolarHBondContact O-N 3.19Å; F633-I661 HydrophobicContact CD1-CG2 3.68Å; F633-I661 HydrophobicContact CE1-CG2 3.8Å; F633-I661 HydrophobicContact CG-CG2 4.41Å; F633-F662 HydrophobicContact CE1-CD1 4.2Å; F633-F662 HydrophobicContact CE1-CD2 4.39Å; F633-F662 AromaticContact CE1-CE1 3.87Å; F633-F662 HydrophobicContact CE1-CE1 3.87Å; F633-F662 HydrophobicContact CE1-CE2 4.08Å; F633-F662 HydrophobicContact CE1-CG 4.45Å; F633-F662 AromaticContact CE1-CZ 3.8Å; F633-F662 HydrophobicContact CE1-CZ 3.8Å; F633-F662 AromaticContact CZ-CD1 3.94Å; F633-F662 HydrophobicContact CZ-CD1 3.94Å; F633-F662 AromaticContact CZ-CE1 3.64Å; F633-F662 HydrophobicContact CZ-CE1 3.64Å; F633-F662 HydrophobicContact CZ-CZ 4.04Å
634L93.5Very high94.5Very high33 Ų3329 Ų2917%0.17314%0.143CC..Hα-helixtrans-60.4-29.1-174.5-71.4171.3000113.7F588 F589 F593 L596 S630F588-L634 HydrophobicContact CB-CD2 4.02Å; F589-L634 HydrophobicContact CD1-CD2 4Å; F589-L634 HydrophobicContact CE1-CD2 3.49Å; F589-L634 VanDerWaalsContact CE1-CD2 3.49Å; F589-L634 HydrophobicContact CZ-CD2 3.95Å; F593-L634 HydrophobicContact CD1-CD2 4.43Å; F593-L634 HydrophobicContact CE1-CD2 4.42Å; L596-L634 HydrophobicContact CD1-CD2 4.41Å; L596-L634 HydrophobicContact CD1-CG 4.19Å; L596-L634 HydrophobicContact CD2-CD1 3.98Å; L596-L634 HydrophobicContact CD2-CD2 4.05Å; L596-L634 HydrophobicContact CD2-CG 3.98Å; S630-L634 WeakPolarHBondContact O-CB 3.45Å; S630-L634 VanDerWaalsContact O-CG 3.28Å; S630-L634 WeakPolarHBondContact O-CG 3.49Å; S630-L634 PolarHBondContact O-N 3.35Å
635T93.9Very high94.4Very high9 Ų923.7 Ų23.76%0.05512%0.118CC..THydrogen-bonded Turntrans-114.73.5-179.577.10000113.1F558 Q631 F633 F637 T638 A639F558-T635 HydrophobicContact CD2-CG2 4.14Å; Q631-T635 WeakPolarHBondContact O-CB 3.22Å; Q631-T635 PolarHBondContact O-N 2.96Å; Q631-T635 VanDerWaalsContact O-N 3.11Å; Q631-T635 PolarHBondContact O-OG1 2.95Å; F633-T635 PolarHBondContact O-N 3.16Å; F633-T635 VanDerWaalsContact O-N 3.15Å; T635-F637 PolarHBondContact O-N 3.17Å; T635-T638 VanDerWaalsContact O-CB 3.28Å; T635-T638 WeakPolarHBondContact O-CB 3.34Å; T635-T638 WeakPolarHBondContact O-CG2 3.48Å; T635-T638 PolarHBondContact O-N 3.36Å; T635-T638 PolarHBondContact O-OG1 3.35Å; T635-A639 HydrophobicContact CG2-CB 3.79Å; T635-A639 WeakPolarHBondContact OG1-CB 3.43Å; T635-A639 PolarHBondContact OG1-N 3.04Å
636L96.1Very high94.4Very high4 Ų423 Ų232%0.02111%0.113CC..THydrogen-bonded Turntrans49.246.9-175.5-53.4175.2000111.8F559 V585 W632 F633 T638 F653 L658 I661F559-L636 HydrophobicContact CD2-CB 4.4Å; F559-L636 HydrophobicContact CD2-CD1 3.7Å; F559-L636 HydrophobicContact CE2-CD1 3.68Å; F559-L636 HydrophobicContact CG-CD1 4.42Å; F559-L636 HydrophobicContact CZ-CD1 4.4Å; V585-L636 HydrophobicContact CG2-CD1 4.22Å; W632-L636 CarbonylContact O-C 3.59Å; W632-L636 WeakPolarHBondContact O-CA 3.49Å; W632-L636 PolarHBondContact O-N 3.4Å; W632-L636 VanDerWaalsContact O-N 3.09Å; F633-L636 PolarHBondContact O-N 3.19Å; L636-T638 PolarHBondContact O-N 3.24Å; L636-F653 HydrophobicContact CD1-CD1 4.09Å; L636-F653 HydrophobicContact CD1-CE1 3.64Å; L636-F653 HydrophobicContact CD1-CE2 4.46Å; L636-F653 HydrophobicContact CD1-CZ 3.84Å; L636-F653 HydrophobicContact CD2-CE2 4.42Å; L636-L658 HydrophobicContact CD2-CD2 4.09Å; L636-I661 HydrophobicContact CB-CD1 4.28Å; L636-I661 HydrophobicContact CD2-CD1 3.8Å; L636-I661 HydrophobicContact CD2-CG1 3.82Å
637F96.1Very high94.3Very high2 Ų219.1 Ų19.11%0.00910%0.096CC..THydrogen-bonded Turntrans63-8.4-173-59.5-82.4000117.9W632 T635 A639 K640 F641 I649 I661 V664 L668W632-F637 HydrophobicContact CB-CD1 3.94Å; W632-F637 HydrophobicContact CB-CE1 3.46Å; W632-F637 VanDerWaalsContact CB-CE1 3.46Å; W632-F637 HydrophobicContact CB-CE2 4.47Å; W632-F637 HydrophobicContact CB-CZ 3.78Å; W632-F637 AromaticContact CD1-CE1 3.94Å; W632-F637 AromaticContact CD2-CE1 3.71Å; W632-F637 HydrophobicContact CD2-CE1 3.71Å; W632-F637 HydrophobicContact CD2-CZ 4.38Å; W632-F637 HydrophobicContact CE3-CE1 4.12Å; W632-F637 HydrophobicContact CE3-CZ 4.41Å; W632-F637 AromaticContact CG-CD1 3.93Å; W632-F637 HydrophobicContact CG-CD1 3.93Å; W632-F637 AromaticContact CG-CE1 3.42Å; W632-F637 HydrophobicContact CG-CE1 3.42Å; W632-F637 VanDerWaalsContact CG-CE1 3.42Å; W632-F637 HydrophobicContact CG-CZ 4.15Å; W632-F637 PolarHBondContact O-N 3.34Å; W632-F637 VanDerWaalsContact O-N 3.07Å; T635-F637 PolarHBondContact O-N 3.17Å; F637-A639 VanDerWaalsContact C-N 3.27Å; F637-A639 PolarHBondContact O-N 2.89Å; F637-A639 VanDerWaalsContact O-N 3.13Å; F637-K640 PolarHBondContact O-N 3.01Å; F637-F641 HydrophobicContact CB-CD2 3.96Å; F637-F641 HydrophobicContact CB-CG 4.41Å; F637-F641 AromaticContact CD1-CD2 3.88Å; F637-F641 HydrophobicContact CD1-CD2 3.88Å; F637-F641 AromaticContact CD1-CE2 3.61Å; F637-F641 HydrophobicContact CD1-CE2 3.61Å; F637-F641 HydrophobicContact CD1-CZ 4.15Å; F637-F641 HydrophobicContact CE1-CE2 4.36Å; F637-F641 HydrophobicContact CG-CD2 4.42Å; F637-F641 PolarHBondContact O-N 3.01Å; F637-I649 HydrophobicContact CB-CD1 4.07Å; F637-I649 HydrophobicContact CD2-CD1 4.13Å; F637-I649 HydrophobicContact CD2-CG2 4.03Å; F637-I649 HydrophobicContact CG-CD1 4.16Å; F637-I661 HydrophobicContact CD2-CD1 4.32Å; F637-I661 HydrophobicContact CE2-CD1 4.32Å; F637-I661 HydrophobicContact CE2-CG2 3.81Å; F637-I661 HydrophobicContact CZ-CG2 4.49Å; F637-V664 HydrophobicContact CD1-CG1 4.48Å; F637-V664 HydrophobicContact CD2-CG1 4.09Å; F637-V664 HydrophobicContact CE1-CG1 4.01Å; F637-V664 HydrophobicContact CE2-CB 3.72Å; F637-V664 HydrophobicContact CE2-CG1 3.55Å; F637-V664 HydrophobicContact CZ-CB 3.89Å; F637-V664 HydrophobicContact CZ-CG1 3.5Å; F637-L668 HydrophobicContact CD1-CD1 4.14Å; F637-L668 HydrophobicContact CE1-CD1 3.41Å; F637-L668 VanDerWaalsContact CE1-CD1 3.41Å; F637-L668 HydrophobicContact CZ-CD1 4.08Å
638T95.1Very high94.3Very high0 Ų017 Ų170%09%0.085CC..THydrogen-bonded Turntrans-58.6-29.9-173.262.10000114.4F521 F558 F559 V562 T635 L636 K640 V646F521-T638 WeakPolarHBondContact CE1-O 3.36Å; F558-T638 WeakPolarHBondContact CB-OG1 3.36Å; F559-T638 HydrophobicContact CD2-CG2 4.22Å; V562-T638 HydrophobicContact CG2-CG2 3.67Å; T635-T638 VanDerWaalsContact O-CB 3.28Å; T635-T638 WeakPolarHBondContact O-CB 3.34Å; T635-T638 WeakPolarHBondContact O-CG2 3.48Å; T635-T638 PolarHBondContact O-N 3.36Å; T635-T638 PolarHBondContact O-OG1 3.35Å; L636-T638 PolarHBondContact O-N 3.24Å; T638-K640 PolarHBondContact O-N 2.82Å; T638-V646 HydrophobicContact CG2-CG1 3.64Å
639A93Very high94.3Very high4 Ų416.2 Ų16.23%0.0338%0.081CC..THydrogen-bonded Turntrans-77.3-13.7-17200000116.3S396 F558 T635 F637S396-A639 WeakPolarHBondContact CB-O 3.39Å; F558-A639 HydrophobicContact CD1-CB 3.92Å; F558-A639 HydrophobicContact CD2-CB 3.83Å; F558-A639 HydrophobicContact CE1-CB 3.99Å; F558-A639 HydrophobicContact CE2-CB 3.95Å; F558-A639 HydrophobicContact CG-CB 3.85Å; F558-A639 HydrophobicContact CZ-CB 4.03Å; T635-A639 HydrophobicContact CG2-CB 3.79Å; T635-A639 WeakPolarHBondContact OG1-CB 3.43Å; T635-A639 PolarHBondContact OG1-N 3.04Å; F637-A639 VanDerWaalsContact C-N 3.27Å; F637-A639 PolarHBondContact O-N 2.89Å; F637-A639 VanDerWaalsContact O-N 3.13Å
640K91.6Very high94.3Very high59 Ų5916.2 Ų16.226%0.2578%0.081SC..THydrogen-bonded Turntrans-135.9-23.6-174-65.3-64.6167.9-155.40115.5F637 T638 P693F637-K640 PolarHBondContact O-N 3.01Å; T638-K640 PolarHBondContact O-N 2.82Å; K640-P693 HydrophobicContact CB-CG 4.34Å; K640-P693 VanDerWaalsContact O-CB 3.27Å; K640-P693 WeakPolarHBondContact O-CB 3.29Å
641F94.5Very high94.4Very high4 Ų414.8 Ų14.82%0.0187%0.072CC..SBendtrans-92.4153.1-175.1-72.1-100.7000111.8F637 V646 L668 M692 P693 Y696F637-F641 HydrophobicContact CB-CD2 3.96Å; F637-F641 HydrophobicContact CB-CG 4.41Å; F637-F641 AromaticContact CD1-CD2 3.88Å; F637-F641 HydrophobicContact CD1-CD2 3.88Å; F637-F641 AromaticContact CD1-CE2 3.61Å; F637-F641 HydrophobicContact CD1-CE2 3.61Å; F637-F641 HydrophobicContact CD1-CZ 4.15Å; F637-F641 HydrophobicContact CE1-CE2 4.36Å; F637-F641 HydrophobicContact CG-CD2 4.42Å; F637-F641 PolarHBondContact O-N 3.01Å; F641-V646 HydrophobicContact CB-CG2 3.78Å; F641-V646 WeakPolarHBondContact O-CG2 3.4Å; F641-L668 HydrophobicContact CE1-CD1 4.12Å; F641-L668 HydrophobicContact CE1-CD2 3.73Å; F641-L668 HydrophobicContact CZ-CD1 3.73Å; F641-L668 HydrophobicContact CZ-CD2 4.14Å; F641-M692 HydrophobicContact CE1-SD 3.85Å; F641-M692 HydrophobicContact CZ-SD 3.57Å; F641-M692 VanDerWaalsContact CZ-SD 3.57Å; F641-P693 HydrophobicContact CD1-CB 4.44Å; F641-P693 HydrophobicContact CE1-CB 4.46Å; F641-P693 HydrophobicContact CE2-CG 4.38Å; F641-P693 HydrophobicContact CZ-CG 4.27Å; F641-Y696 AromaticContact CD1-CD2 3.98Å; F641-Y696 HydrophobicContact CD1-CD2 3.98Å; F641-Y696 AromaticContact CE1-CD2 3.77Å; F641-Y696 HydrophobicContact CE1-CD2 3.77Å; F641-Y696 HydrophobicContact CE1-CE2 4.02Å
642P93.7Very high94.5Very high0 Ų010.3 Ų10.30%05%0.051CC..  trans-56.9142.1174-28.637.6000113.7L394 N398 N644 V645 V646 P693 L697L394-P642 HydrophobicContact CD2-CG 3.77Å; N398-P642 CarbonylContact O-C 3.6Å; N398-P642 WeakPolarHBondContact O-CA 3.47Å; P642-N644 VanDerWaalsContact C-N 3.3Å; P642-N644 WeakPolarHBondContact CB-OD1 3.4Å; P642-N644 PolarHBondContact O-N 2.9Å; P642-V645 HydrophobicContact CB-CG2 4.15Å; P642-V645 HydrophobicContact CG-CG2 4.47Å; P642-V645 WeakPolarHBondContact O-CB 3.49Å; P642-V645 PolarHBondContact O-N 2.8Å; P642-V646 WeakPolarHBondContact O-CG2 3.31Å; P642-V646 PolarHBondContact O-N 3.39Å; P642-P693 WeakPolarHBondContact CD-O 3.48Å; P642-L697 HydrophobicContact CB-CD2 3.95Å; P642-L697 HydrophobicContact CG-CD2 3.64Å; P642-L697 HydrophobicContact CG-CG 3.82Å
643L93.1Very high94.5Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-56.8-38.3-174.3-72.3178.7000113.6G397 N398 V401 F521 L565 V645 V646 F647G397-L643 WeakPolarHBondContact O-CD1 3.27Å; N398-L643 PolarHBondContact O-N 2.67Å; V401-L643 HydrophobicContact CG2-CD1 4.25Å; F521-L643 HydrophobicContact CD2-CD2 4.33Å; F521-L643 HydrophobicContact CE1-CD2 4.35Å; F521-L643 HydrophobicContact CE2-CD2 3.7Å; F521-L643 HydrophobicContact CZ-CD2 3.71Å; L565-L643 HydrophobicContact CD1-CD1 4.1Å; L565-L643 HydrophobicContact CD1-CD2 4.37Å; L643-V645 VanDerWaalsContact C-N 3.28Å; L643-V645 PolarHBondContact O-N 2.76Å; L643-V646 PolarHBondContact O-N 3.05Å; L643-F647 HydrophobicContact CB-CE1 4.14Å; L643-F647 HydrophobicContact CB-CE2 4.03Å; L643-F647 HydrophobicContact CB-CZ 3.74Å; L643-F647 HydrophobicContact CD1-CZ 4.21Å; L643-F647 HydrophobicContact CD2-CE1 3.86Å; L643-F647 HydrophobicContact CD2-CZ 4.02Å; L643-F647 HydrophobicContact CG-CE1 4.49Å; L643-F647 HydrophobicContact CG-CZ 4.21Å; L643-F647 WeakPolarHBondContact O-CD1 3.42Å; L643-F647 WeakPolarHBondContact O-CD2 3.48Å; L643-F647 WeakPolarHBondContact O-CG 3.24Å; L643-F647 PolarHBondContact O-N 3.26Å
644N89.1Confident94.4Very high53 Ų539.8 Ų9.828%0.2835%0.049SC..Hα-helixtrans-63.6-29.2177.363.8-40000113.6P642 N702P642-N644 VanDerWaalsContact C-N 3.3Å; P642-N644 WeakPolarHBondContact CB-OD1 3.4Å; P642-N644 PolarHBondContact O-N 2.9Å; N644-N702 PolarHBondContact ND2-ND2 2.95Å; N644-N702 PolarHBondContact O-ND2 3.1Å
645V93.4Very high94.4Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-78.7-48.4172.3-171.10000109P642 L643 F647 H648 I649 Y696 N702 L705P642-V645 HydrophobicContact CB-CG2 4.15Å; P642-V645 HydrophobicContact CG-CG2 4.47Å; P642-V645 WeakPolarHBondContact O-CB 3.49Å; P642-V645 PolarHBondContact O-N 2.8Å; L643-V645 VanDerWaalsContact C-N 3.28Å; L643-V645 PolarHBondContact O-N 2.76Å; V645-F647 VanDerWaalsContact C-N 3.35Å; V645-F647 PolarHBondContact O-N 3.19Å; V645-H648 PolarHBondContact O-N 3.02Å; V645-I649 HydrophobicContact CG1-CD1 3.83Å; V645-I649 HydrophobicContact CG1-CG1 4.36Å; V645-I649 WeakPolarHBondContact O-CG1 3.45Å; V645-I649 PolarHBondContact O-N 2.96Å; V645-Y696 WeakPolarHBondContact CG2-O 3.32Å; V645-N702 HydrophobicContact CG2-CB 4.02Å; V645-L705 HydrophobicContact CG1-CD2 3.9Å
646V95.5Very high94.2Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-57.2-44.5-176.7167.60000111.7V562 T638 F641 P642 L643 H648 I649 V650V562-V646 HydrophobicContact CG2-CG1 3.86Å; T638-V646 HydrophobicContact CG2-CG1 3.64Å; F641-V646 HydrophobicContact CB-CG2 3.78Å; F641-V646 WeakPolarHBondContact O-CG2 3.4Å; P642-V646 WeakPolarHBondContact O-CG2 3.31Å; P642-V646 PolarHBondContact O-N 3.39Å; L643-V646 PolarHBondContact O-N 3.05Å; V646-H648 PolarHBondContact O-N 3.44Å; V646-I649 WeakPolarHBondContact O-CB 3.28Å; V646-I649 PolarHBondContact O-N 2.96Å; V646-V650 WeakPolarHBondContact O-CG2 3.37Å; V646-V650 PolarHBondContact O-N 3.36Å
647F95Very high94Very high2 Ų210.7 Ų10.71%0.0095%0.053CC..Hα-helixtrans-62.9-41.1180-57.8-23.7000112.2V401 R478 V562 L565 H566 L643 V645 V650 D651V401-F647 HydrophobicContact CB-CE2 4.38Å; V401-F647 HydrophobicContact CG1-CE2 4.13Å; V401-F647 HydrophobicContact CG2-CE2 3.87Å; V401-F647 HydrophobicContact CG2-CZ 3.85Å; R478-F647 VanDerWaalsContact NH1-CD2 3.26Å; V562-F647 HydrophobicContact CG1-CD1 3.82Å; V562-F647 HydrophobicContact CG1-CE1 3.93Å; V562-F647 HydrophobicContact CG2-CE1 4.36Å; L565-F647 HydrophobicContact CD1-CE1 4.26Å; L565-F647 HydrophobicContact CD1-CZ 3.93Å; H566-F647 AromaticContact CE1-CD1 3.7Å; H566-F647 AromaticContact CE1-CD2 3.87Å; H566-F647 AromaticContact CE1-CE1 3.57Å; H566-F647 AromaticContact CE1-CE2 3.73Å; H566-F647 AromaticContact CE1-CG 3.85Å; H566-F647 AromaticContact CE1-CZ 3.57Å; L643-F647 HydrophobicContact CB-CE1 4.14Å; L643-F647 HydrophobicContact CB-CE2 4.03Å; L643-F647 HydrophobicContact CB-CZ 3.74Å; L643-F647 HydrophobicContact CD1-CZ 4.21Å; L643-F647 HydrophobicContact CD2-CE1 3.86Å; L643-F647 HydrophobicContact CD2-CZ 4.02Å; L643-F647 HydrophobicContact CG-CE1 4.49Å; L643-F647 HydrophobicContact CG-CZ 4.21Å; L643-F647 WeakPolarHBondContact O-CD1 3.42Å; L643-F647 WeakPolarHBondContact O-CD2 3.48Å; L643-F647 WeakPolarHBondContact O-CG 3.24Å; L643-F647 PolarHBondContact O-N 3.26Å; V645-F647 VanDerWaalsContact C-N 3.35Å; V645-F647 PolarHBondContact O-N 3.19Å; F647-V650 PolarHBondContact O-N 2.82Å; F647-V650 VanDerWaalsContact O-N 3.16Å; F647-D651 PolarHBondContact O-N 2.97Å
648H94.7Very high94Very high28 Ų2810.6 Ų10.613%0.135%0.053CC..Hα-helixtrans-70.5-33.7176.6-152.6148000111.6V469 G472 V645 V646 V650 D651 L652 L706V469-H648 PolarHBondContact O-NE2 3.41Å; G472-H648 VanDerWaalsContact CA-CE1 3.4Å; G472-H648 WeakPolarHBondContact CA-CE1 3.34Å; G472-H648 PolarHBondContact N-CE1 2.86Å; G472-H648 PolarHBondContact N-NE2 2.72Å; V645-H648 PolarHBondContact O-N 3.02Å; V646-H648 PolarHBondContact O-N 3.44Å; H648-V650 VanDerWaalsContact C-N 3.31Å; H648-V650 PolarHBondContact O-N 2.73Å; H648-D651 PolarHBondContact O-N 3.49Å; H648-L652 PolarHBondContact O-N 2.92Å; H648-L652 VanDerWaalsContact O-N 3.09Å; H648-L706 HydrophobicContact CB-CD1 3.87Å; H648-L706 HydrophobicContact CB-CD2 4.22Å; H648-L706 VanDerWaalsContact ND1-CD1 3.33Å; H648-L706 WeakPolarHBondContact ND1-CD1 3.31Å
649I96.5Very high94Very high1 Ų111.1 Ų11.11%0.0056%0.055CC..Hα-helixtrans-60.2-42.4168.9-68.7171.2000110.5F637 V645 V646 L652 F653 I661 V664 L706F637-I649 HydrophobicContact CB-CD1 4.07Å; F637-I649 HydrophobicContact CD2-CD1 4.13Å; F637-I649 HydrophobicContact CD2-CG2 4.03Å; F637-I649 HydrophobicContact CG-CD1 4.16Å; V645-I649 HydrophobicContact CG1-CD1 3.83Å; V645-I649 HydrophobicContact CG1-CG1 4.36Å; V645-I649 WeakPolarHBondContact O-CG1 3.45Å; V645-I649 PolarHBondContact O-N 2.96Å; V646-I649 WeakPolarHBondContact O-CB 3.28Å; V646-I649 PolarHBondContact O-N 2.96Å; I649-L652 PolarHBondContact O-N 3.28Å; I649-F653 WeakPolarHBondContact O-CB 3.38Å; I649-F653 PolarHBondContact O-N 3.49Å; I649-I661 HydrophobicContact CG2-CD1 4.14Å; I649-V664 HydrophobicContact CD1-CG1 3.95Å; I649-V664 HydrophobicContact CD1-CG2 4.45Å; I649-V664 HydrophobicContact CG1-CG2 4.14Å; I649-L706 HydrophobicContact CG1-CD2 4.5Å
650V96.2Very high94.2Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-67.3-43.1176.7174.90000111.7W482 F559 V562 V646 F647 H648 L652 F653 L654W482-V650 HydrophobicContact CD2-CG1 4.25Å; W482-V650 HydrophobicContact CH2-CG1 4.02Å; W482-V650 HydrophobicContact CZ2-CB 3.97Å; W482-V650 HydrophobicContact CZ2-CG1 3.56Å; F559-V650 HydrophobicContact CE2-CG1 4.17Å; F559-V650 HydrophobicContact CE2-CG2 3.87Å; F559-V650 HydrophobicContact CZ-CG1 4.35Å; V562-V650 HydrophobicContact CG1-CG2 4.28Å; V646-V650 WeakPolarHBondContact O-CG2 3.37Å; V646-V650 PolarHBondContact O-N 3.36Å; F647-V650 PolarHBondContact O-N 2.82Å; F647-V650 VanDerWaalsContact O-N 3.16Å; H648-V650 VanDerWaalsContact C-N 3.31Å; H648-V650 PolarHBondContact O-N 2.73Å; V650-L652 VanDerWaalsContact C-N 3.28Å; V650-L652 PolarHBondContact O-N 2.9Å; V650-F653 PolarHBondContact O-N 3.15Å; V650-L654 HydrophobicContact CG1-CD1 3.75Å; V650-L654 HydrophobicContact CG1-CG 4.11Å; V650-L654 WeakPolarHBondContact O-CB 3.39Å; V650-L654 WeakPolarHBondContact O-CG 3.25Å; V650-L654 PolarHBondContact O-N 3.12Å
651D95.6Very high94.4Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-51.9-47.2174.4-66-13.8000111.2V469 I473 R478 W482 F647 H648 T655V469-D651 HydrophobicContact CG1-CB 4.03Å; V469-D651 WeakPolarHBondContact CG1-O 3.27Å; I473-D651 WeakPolarHBondContact CB-OD2 3.21Å; I473-D651 HydrophobicContact CD1-CB 3.77Å; I473-D651 WeakPolarHBondContact CD1-OD1 3.38Å; I473-D651 HydrophobicContact CG1-CB 3.94Å; I473-D651 PolarHBondContact N-OD2 2.84Å; R478-D651 VanDerWaalsContact CD-OD1 3.29Å; R478-D651 WeakPolarHBondContact CD-OD1 3.36Å; R478-D651 IonicContact NE-OD1 3.97Å; R478-D651 PolarHBondContact NE-OD1 2.97Å; R478-D651 IonicContact NE-OD2 2.78Å; R478-D651 PolarHBondContact NE-OD2 2.71Å; W482-D651 PolarHBondContact NE1-OD1 3.37Å; F647-D651 PolarHBondContact O-N 2.97Å; H648-D651 PolarHBondContact O-N 3.49Å; D651-T655 PolarHBondContact O-N 2.89Å; D651-T655 PolarHBondContact O-OG1 3.32Å
652L95.6Very high94.6Very high3 Ų38 Ų82%0.0164%0.041CC..Hα-helixtrans-80.3-35.6-178.4-73164.1000113.3V469 H648 I649 V650 T655 E656 F660 L706 L710V469-L652 HydrophobicContact CB-CD2 4.47Å; V469-L652 HydrophobicContact CG1-CD2 3.59Å; V469-L652 HydrophobicContact CG1-CG 3.93Å; H648-L652 PolarHBondContact O-N 2.92Å; H648-L652 VanDerWaalsContact O-N 3.09Å; I649-L652 PolarHBondContact O-N 3.28Å; V650-L652 VanDerWaalsContact C-N 3.28Å; V650-L652 PolarHBondContact O-N 2.9Å; L652-T655 PolarHBondContact O-N 2.84Å; L652-T655 VanDerWaalsContact O-N 3.14Å; L652-E656 PolarHBondContact O-N 2.82Å; L652-F660 HydrophobicContact CB-CD1 3.54Å; L652-F660 HydrophobicContact CB-CD2 3.95Å; L652-F660 HydrophobicContact CB-CE1 3.47Å; L652-F660 VanDerWaalsContact CB-CE1 3.47Å; L652-F660 HydrophobicContact CB-CE2 3.9Å; L652-F660 HydrophobicContact CB-CG 3.81Å; L652-F660 HydrophobicContact CB-CZ 3.69Å; L652-F660 HydrophobicContact CD1-CE1 3.77Å; L652-F660 HydrophobicContact CD1-CE2 3.86Å; L652-F660 HydrophobicContact CD1-CZ 3.32Å; L652-F660 HydrophobicContact CD2-CE2 4.48Å; L652-F660 HydrophobicContact CG-CE1 4.24Å; L652-F660 HydrophobicContact CG-CE2 4.29Å; L652-F660 HydrophobicContact CG-CZ 4.05Å; L652-L706 HydrophobicContact CD1-CD2 4.43Å; L652-L710 HydrophobicContact CD1-CD2 3.98Å; L652-L710 HydrophobicContact CD1-CG 4.33Å; L652-L710 HydrophobicContact CD2-CD2 3.8Å
653F96Very high94.8Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-60.3-46171.4161.6-108.4000111.6F559 V579 Y583 V585 L636 I649 V650 T655 G657 L658 I661F559-F653 HydrophobicContact CZ-CE1 4.42Å; V579-F653 HydrophobicContact CG1-CE1 3.85Å; V579-F653 HydrophobicContact CG1-CZ 4.02Å; V579-F653 HydrophobicContact CG2-CE1 4.46Å; Y583-F653 HydrophobicContact CD1-CE1 4.35Å; Y583-F653 HydrophobicContact CD1-CE2 4.05Å; Y583-F653 AromaticContact CD1-CZ 3.88Å; Y583-F653 HydrophobicContact CD1-CZ 3.88Å; Y583-F653 HydrophobicContact CG-CE1 4.48Å; Y583-F653 HydrophobicContact CG-CE2 4.41Å; Y583-F653 AromaticContact CG-CZ 3.91Å; Y583-F653 HydrophobicContact CG-CZ 3.91Å; V585-F653 HydrophobicContact CG2-CE2 4.46Å; V585-F653 HydrophobicContact CG2-CZ 3.83Å; L636-F653 HydrophobicContact CD1-CD1 4.09Å; L636-F653 HydrophobicContact CD1-CE1 3.64Å; L636-F653 HydrophobicContact CD1-CE2 4.46Å; L636-F653 HydrophobicContact CD1-CZ 3.84Å; L636-F653 HydrophobicContact CD2-CE2 4.42Å; I649-F653 WeakPolarHBondContact O-CB 3.38Å; I649-F653 PolarHBondContact O-N 3.49Å; V650-F653 PolarHBondContact O-N 3.15Å; F653-T655 PolarHBondContact O-N 3.23Å; F653-G657 VanDerWaalsContact O-CA 3.26Å; F653-G657 WeakPolarHBondContact O-CA 3.32Å; F653-G657 PolarHBondContact O-N 3.08Å; F653-L658 HydrophobicContact CD2-CD2 4.42Å; F653-L658 HydrophobicContact CE2-CD2 3.75Å; F653-L658 HydrophobicContact CE2-CG 4.12Å; F653-I661 HydrophobicContact CB-CD1 4.23Å; F653-I661 HydrophobicContact CD2-CD1 4.13Å; F653-I661 HydrophobicContact CD2-CG1 3.99Å; F653-I661 HydrophobicContact CG-CD1 4.32Å
654L93.9Very high95.1Very high4 Ų49 Ų92%0.0215%0.045CC..Hα-helixtrans-65.5-18.4176.9-69.9176000112.7W482 L485 V579 Y583 V650W482-L654 HydrophobicContact CB-CD1 3.66Å; W482-L654 HydrophobicContact CD2-CD1 3.97Å; W482-L654 HydrophobicContact CG-CD1 3.44Å; W482-L654 VanDerWaalsContact CG-CD1 3.44Å; L485-L654 HydrophobicContact CB-CB 3.97Å; L485-L654 HydrophobicContact CD1-CB 3.92Å; V579-L654 HydrophobicContact CG2-CD2 3.63Å; Y583-L654 HydrophobicContact CE1-CD2 4.18Å; Y583-L654 WeakPolarHBondContact CE1-O 3.38Å; Y583-L654 HydrophobicContact CE2-CD2 4.08Å; Y583-L654 PolarHBondContact OH-O 3.41Å; V650-L654 HydrophobicContact CG1-CD1 3.75Å; V650-L654 HydrophobicContact CG1-CG 4.11Å; V650-L654 WeakPolarHBondContact O-CB 3.39Å; V650-L654 WeakPolarHBondContact O-CG 3.25Å; V650-L654 PolarHBondContact O-N 3.12Å
655T93Very high95.5Very high17 Ų176.4 Ų6.410%0.1043%0.032CC..Hα-helixtrans-96.3-36.1-179.2-58.30000114.3I454 I465 R466 V469 L485 D651 L652 F653I454-T655 HydrophobicContact CD1-CG2 4.43Å; I465-T655 HydrophobicContact CG2-CG2 4.44Å; R466-T655 HydrophobicContact CG-CG2 3.94Å; V469-T655 HydrophobicContact CG1-CG2 4.45Å; V469-T655 WeakPolarHBondContact CG1-OG1 3.23Å; V469-T655 HydrophobicContact CG2-CG2 4.36Å; L485-T655 HydrophobicContact CD2-CG2 4.37Å; L485-T655 VanDerWaalsContact CD2-OG1 3.25Å; L485-T655 WeakPolarHBondContact CD2-OG1 3.48Å; D651-T655 PolarHBondContact O-N 2.89Å; D651-T655 PolarHBondContact O-OG1 3.32Å; L652-T655 PolarHBondContact O-N 2.84Å; L652-T655 VanDerWaalsContact O-N 3.14Å; F653-T655 PolarHBondContact O-N 3.23Å
656E91Very high95.7Very high46 Ų466.4 Ų6.422%0.2153%0.032CC..Hα-helixtrans-110.6-20.9-177.2-64.1-162166.400114.5C449 L652 I659 F660 K663C449-E656 WeakPolarHBondContact CA-O 3.5Å; L652-E656 PolarHBondContact O-N 2.82Å; E656-I659 HydrophobicContact CB-CG2 3.86Å; E656-I659 VanDerWaalsContact O-CG2 3.27Å; E656-I659 WeakPolarHBondContact O-CG2 3.35Å; E656-F660 HydrophobicContact CB-CB 4.31Å; E656-K663 IonicContact OE1-NZ 2.85Å; E656-K663 PolarHBondContact OE1-NZ 2.66Å; E656-K663 IonicContact OE2-NZ 3.77Å; E656-K663 PolarHBondContact OE2-NZ 3.16Å
657G92.5Very high95.8Very high1 Ų16.4 Ų6.41%0.013%0.032CC..  trans91.8-170.8-171.600000114G448 S450 F653 I659 F660G448-G657 CarbonylContact O-C 3.59Å; G448-G657 VanDerWaalsContact O-C 3.31Å; G448-G657 WeakPolarHBondContact O-CA 3.4Å; S450-G657 WeakPolarHBondContact O-CA 3.38Å; F653-G657 VanDerWaalsContact O-CA 3.26Å; F653-G657 WeakPolarHBondContact O-CA 3.32Å; F653-G657 PolarHBondContact O-N 3.08Å; G657-I659 PolarHBondContact O-N 3.49Å; G657-F660 PolarHBondContact O-N 3.1Å
658L94.3Very high96Very high1 Ų16.3 Ų6.31%0.0053%0.031CC..THydrogen-bonded Turntrans-53.2-22.1176.2-74.4176.6000114.8G448 Y583 V585 F588 L636 F653 F660 I661 F662G448-L658 CarbonylContact O-C 3.55Å; G448-L658 WeakPolarHBondContact O-CA 3.18Å; G448-L658 PolarHBondContact O-N 3.27Å; Y583-L658 WeakPolarHBondContact O-CD1 3.23Å; Y583-L658 WeakPolarHBondContact O-CG 3.42Å; V585-L658 HydrophobicContact CG2-CD2 4.41Å; F588-L658 HydrophobicContact CE1-CD1 3.87Å; F588-L658 HydrophobicContact CE2-CD2 4.08Å; F588-L658 HydrophobicContact CZ-CD1 3.57Å; F588-L658 HydrophobicContact CZ-CD2 3.55Å; F588-L658 HydrophobicContact CZ-CG 4.22Å; L636-L658 HydrophobicContact CD2-CD2 4.09Å; F653-L658 HydrophobicContact CD2-CD2 4.42Å; F653-L658 HydrophobicContact CE2-CD2 3.75Å; F653-L658 HydrophobicContact CE2-CG 4.12Å; L658-F660 PolarHBondContact O-N 3.41Å; L658-F660 VanDerWaalsContact O-N 3.16Å; L658-I661 HydrophobicContact CD2-CG1 4Å; L658-I661 WeakPolarHBondContact O-CB 3.41Å; L658-I661 PolarHBondContact O-N 2.96Å; L658-F662 WeakPolarHBondContact O-CD2 3.29Å; L658-F662 PolarHBondContact O-N 3.49Å
659I95.5Very high96.1Very high11 Ų115 Ų56%0.0563%0.025CC..Hα-helixtrans-53.9-31.6171.6-168.1165.3000112.1G448 E656 G657 F662 K663 V714 L719G448-I659 PolarHBondContact O-N 3.32Å; E656-I659 HydrophobicContact CB-CG2 3.86Å; E656-I659 VanDerWaalsContact O-CG2 3.27Å; E656-I659 WeakPolarHBondContact O-CG2 3.35Å; G657-I659 PolarHBondContact O-N 3.49Å; I659-F662 WeakPolarHBondContact O-CB 3.29Å; I659-F662 PolarHBondContact O-N 3.01Å; I659-K663 WeakPolarHBondContact O-CG 3.38Å; I659-K663 PolarHBondContact O-N 2.67Å; I659-K663 VanDerWaalsContact O-N 3.1Å; I659-V714 HydrophobicContact CG1-CG1 4.01Å; I659-L719 HydrophobicContact CB-CD1 4.14Å; I659-L719 HydrophobicContact CD1-CD1 4.2Å; I659-L719 HydrophobicContact CG1-CD1 3.82Å
660F96.5Very high96.2Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-71.6-32.2176.7-160.4-99000112.8L652 E656 G657 L658 F662 K663 V664 A709 L710L652-F660 HydrophobicContact CB-CD1 3.54Å; L652-F660 HydrophobicContact CB-CD2 3.95Å; L652-F660 HydrophobicContact CB-CE1 3.47Å; L652-F660 VanDerWaalsContact CB-CE1 3.47Å; L652-F660 HydrophobicContact CB-CE2 3.9Å; L652-F660 HydrophobicContact CB-CG 3.81Å; L652-F660 HydrophobicContact CB-CZ 3.69Å; L652-F660 HydrophobicContact CD1-CE1 3.77Å; L652-F660 HydrophobicContact CD1-CE2 3.86Å; L652-F660 HydrophobicContact CD1-CZ 3.32Å; L652-F660 HydrophobicContact CD2-CE2 4.48Å; L652-F660 HydrophobicContact CG-CE1 4.24Å; L652-F660 HydrophobicContact CG-CE2 4.29Å; L652-F660 HydrophobicContact CG-CZ 4.05Å; E656-F660 HydrophobicContact CB-CB 4.31Å; G657-F660 PolarHBondContact O-N 3.1Å; L658-F660 PolarHBondContact O-N 3.41Å; L658-F660 VanDerWaalsContact O-N 3.16Å; F660-F662 VanDerWaalsContact C-N 3.3Å; F660-F662 PolarHBondContact O-N 2.98Å; F660-K663 HydrophobicContact CD2-CB 4.39Å; F660-K663 HydrophobicContact CD2-CD 3.76Å; F660-K663 HydrophobicContact CE2-CD 4.18Å; F660-K663 WeakPolarHBondContact O-CB 3.27Å; F660-K663 PolarHBondContact O-N 2.77Å; F660-K663 VanDerWaalsContact O-N 3.14Å; F660-V664 HydrophobicContact CD1-CG2 3.78Å; F660-V664 HydrophobicContact CE1-CG2 3.38Å; F660-V664 HydrophobicContact CZ-CG2 4.03Å; F660-V664 WeakPolarHBondContact O-CG2 3.34Å; F660-V664 PolarHBondContact O-N 2.96Å; F660-A709 HydrophobicContact CE2-CB 4.38Å; F660-A709 HydrophobicContact CZ-CB 3.93Å; F660-L710 HydrophobicContact CE2-CD2 4.23Å
661I97.6Very high96.2Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-63.4-38.3174.3-54.1-58.2000110.6F633 L636 F637 I649 F653 L658 S665F633-I661 HydrophobicContact CD1-CG2 3.68Å; F633-I661 HydrophobicContact CE1-CG2 3.8Å; F633-I661 HydrophobicContact CG-CG2 4.41Å; L636-I661 HydrophobicContact CB-CD1 4.28Å; L636-I661 HydrophobicContact CD2-CD1 3.8Å; L636-I661 HydrophobicContact CD2-CG1 3.82Å; F637-I661 HydrophobicContact CD2-CD1 4.32Å; F637-I661 HydrophobicContact CE2-CD1 4.32Å; F637-I661 HydrophobicContact CE2-CG2 3.81Å; F637-I661 HydrophobicContact CZ-CG2 4.49Å; I649-I661 HydrophobicContact CG2-CD1 4.14Å; F653-I661 HydrophobicContact CB-CD1 4.23Å; F653-I661 HydrophobicContact CD2-CD1 4.13Å; F653-I661 HydrophobicContact CD2-CG1 3.99Å; F653-I661 HydrophobicContact CG-CD1 4.32Å; L658-I661 HydrophobicContact CD2-CG1 4Å; L658-I661 WeakPolarHBondContact O-CB 3.41Å; L658-I661 PolarHBondContact O-N 2.96Å; I661-S665 WeakPolarHBondContact O-CB 3.44Å; I661-S665 PolarHBondContact O-N 3.13Å; I661-S665 PolarHBondContact O-OG 3.05Å
662F98.1Very high96.2Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-65.3-42.4170.9-72.9-78.7000113R599 Q602 L603 I606 F633 L658 I659 F660 S665 L666 V714 L719R599-F662 HydrophobicContact CB-CE1 4.47Å; R599-F662 HydrophobicContact CB-CZ 3.84Å; R599-F662 HydrophobicContact CG-CZ 4.23Å; R599-F662 VanDerWaalsContact O-CE1 3.3Å; R599-F662 WeakPolarHBondContact O-CE1 3.49Å; Q602-F662 HydrophobicContact CB-CE1 3.53Å; Q602-F662 HydrophobicContact CB-CZ 3.62Å; Q602-F662 HydrophobicContact CG-CZ 4.43Å; Q602-F662 VanDerWaalsContact OE1-CZ 3.3Å; L603-F662 HydrophobicContact CB-CD1 4.15Å; L603-F662 HydrophobicContact CB-CE1 4Å; L603-F662 HydrophobicContact CD1-CD1 4.46Å; I606-F662 HydrophobicContact CD1-CB 4.32Å; I606-F662 HydrophobicContact CD1-CD1 3.85Å; I606-F662 HydrophobicContact CD1-CG 4.29Å; F633-F662 HydrophobicContact CE1-CD1 4.2Å; F633-F662 HydrophobicContact CE1-CD2 4.39Å; F633-F662 AromaticContact CE1-CE1 3.87Å; F633-F662 HydrophobicContact CE1-CE1 3.87Å; F633-F662 HydrophobicContact CE1-CE2 4.08Å; F633-F662 HydrophobicContact CE1-CG 4.45Å; F633-F662 AromaticContact CE1-CZ 3.8Å; F633-F662 HydrophobicContact CE1-CZ 3.8Å; F633-F662 AromaticContact CZ-CD1 3.94Å; F633-F662 HydrophobicContact CZ-CD1 3.94Å; F633-F662 AromaticContact CZ-CE1 3.64Å; F633-F662 HydrophobicContact CZ-CE1 3.64Å; F633-F662 HydrophobicContact CZ-CZ 4.04Å; L658-F662 WeakPolarHBondContact O-CD2 3.29Å; L658-F662 PolarHBondContact O-N 3.49Å; I659-F662 WeakPolarHBondContact O-CB 3.29Å; I659-F662 PolarHBondContact O-N 3.01Å; F660-F662 VanDerWaalsContact C-N 3.3Å; F660-F662 PolarHBondContact O-N 2.98Å; F662-S665 PolarHBondContact O-N 3.2Å; F662-L666 WeakPolarHBondContact O-CB 3.37Å; F662-L666 PolarHBondContact O-N 3.4Å; F662-V714 HydrophobicContact CB-CG1 3.95Å; F662-V714 HydrophobicContact CB-CG2 4.49Å; F662-L719 HydrophobicContact CD1-CD2 4.12Å; F662-L719 HydrophobicContact CD2-CD1 3.89Å; F662-L719 HydrophobicContact CD2-CD2 3.88Å; F662-L719 HydrophobicContact CE1-CD2 4.07Å; F662-L719 HydrophobicContact CE2-CD1 4.2Å; F662-L719 HydrophobicContact CE2-CD2 3.83Å; F662-L719 HydrophobicContact CG-CD2 4.03Å; F662-L719 HydrophobicContact CZ-CD2 3.92Å
663K98Very high96.3Very high20 Ų2014.4 Ų14.49%0.0877%0.066CC..Hα-helixtrans-59.6-46.3176.7-73.4173.5164.3-174.80111.8E656 I659 F660 L666 A667 A709 A712 V714E656-K663 IonicContact OE1-NZ 2.85Å; E656-K663 PolarHBondContact OE1-NZ 2.66Å; E656-K663 IonicContact OE2-NZ 3.77Å; E656-K663 PolarHBondContact OE2-NZ 3.16Å; I659-K663 WeakPolarHBondContact O-CG 3.38Å; I659-K663 PolarHBondContact O-N 2.67Å; I659-K663 VanDerWaalsContact O-N 3.1Å; F660-K663 HydrophobicContact CD2-CB 4.39Å; F660-K663 HydrophobicContact CD2-CD 3.76Å; F660-K663 HydrophobicContact CE2-CD 4.18Å; F660-K663 WeakPolarHBondContact O-CB 3.27Å; F660-K663 PolarHBondContact O-N 2.77Å; F660-K663 VanDerWaalsContact O-N 3.14Å; K663-L666 PolarHBondContact O-N 3.34Å; K663-A667 WeakPolarHBondContact O-CB 3.32Å; K663-A667 PolarHBondContact O-N 2.66Å; K663-A709 HydrophobicContact CB-CB 4.47Å; K663-A709 WeakPolarHBondContact CB-O 3.34Å; K663-A709 WeakPolarHBondContact CD-O 3.43Å; K663-A712 HydrophobicContact CB-CB 4.08Å; K663-A712 HydrophobicContact CG-CB 4.06Å; K663-V714 HydrophobicContact CG-CB 3.96Å; K663-V714 HydrophobicContact CG-CG2 4.14Å
664V98.2Very high96.3Very high1 Ų125.2 Ų25.21%0.00611%0.107CC..Hα-helixtrans-63.4-47.5175.3177.20000110.6F637 I649 F660 L666 A667 L668 A709F637-V664 HydrophobicContact CD1-CG1 4.48Å; F637-V664 HydrophobicContact CD2-CG1 4.09Å; F637-V664 HydrophobicContact CE1-CG1 4.01Å; F637-V664 HydrophobicContact CE2-CB 3.72Å; F637-V664 HydrophobicContact CE2-CG1 3.55Å; F637-V664 HydrophobicContact CZ-CB 3.89Å; F637-V664 HydrophobicContact CZ-CG1 3.5Å; I649-V664 HydrophobicContact CD1-CG1 3.95Å; I649-V664 HydrophobicContact CD1-CG2 4.45Å; I649-V664 HydrophobicContact CG1-CG2 4.14Å; F660-V664 HydrophobicContact CD1-CG2 3.78Å; F660-V664 HydrophobicContact CE1-CG2 3.38Å; F660-V664 HydrophobicContact CZ-CG2 4.03Å; F660-V664 WeakPolarHBondContact O-CG2 3.34Å; F660-V664 PolarHBondContact O-N 2.96Å; V664-L666 VanDerWaalsContact C-N 3.28Å; V664-L666 PolarHBondContact O-N 2.91Å; V664-A667 PolarHBondContact O-N 2.93Å; V664-A667 VanDerWaalsContact O-N 3.08Å; V664-L668 HydrophobicContact CG1-CD1 4.08Å; V664-L668 HydrophobicContact CG1-CG 4.22Å; V664-L668 VanDerWaalsContact O-CG 3.3Å; V664-L668 WeakPolarHBondContact O-CG 3.49Å; V664-L668 PolarHBondContact O-N 3.17Å; V664-A709 HydrophobicContact CG2-CB 4.05Å
665S98.2Very high96.4Very high0 Ų028.8 Ų28.80%013%0.126CC..Hα-helixtrans-54.8-43.7177.8-58.50000112.3I661 F662 L669I661-S665 WeakPolarHBondContact O-CB 3.44Å; I661-S665 PolarHBondContact O-N 3.13Å; I661-S665 PolarHBondContact O-OG 3.05Å; F662-S665 PolarHBondContact O-N 3.2Å; S665-L669 WeakPolarHBondContact O-CG 3.43Å; S665-L669 PolarHBondContact O-N 3.09Å
666L98.2Very high96.6Very high0 Ų028 Ų280%012%0.121CC..Hα-helixtrans-68-43.2175.5177.661.2000112.1I606 Q610 L611 F662 K663 V664 L668 L669 Q670 A712 V714I606-L666 HydrophobicContact CG2-CB 4.33Å; I606-L666 HydrophobicContact CG2-CD1 4.14Å; I606-L666 HydrophobicContact CG2-CD2 3.89Å; I606-L666 HydrophobicContact CG2-CG 4.34Å; Q610-L666 HydrophobicContact CB-CD1 4.23Å; Q610-L666 HydrophobicContact CB-CD2 4.44Å; L611-L666 HydrophobicContact CD1-CD1 3.94Å; L611-L666 HydrophobicContact CG-CD1 4.2Å; F662-L666 WeakPolarHBondContact O-CB 3.37Å; F662-L666 PolarHBondContact O-N 3.4Å; K663-L666 PolarHBondContact O-N 3.34Å; V664-L666 VanDerWaalsContact C-N 3.28Å; V664-L666 PolarHBondContact O-N 2.91Å; L666-L668 PolarHBondContact O-N 3.13Å; L666-L669 PolarHBondContact O-N 3.47Å; L666-Q670 HydrophobicContact CD1-CG 4.12Å; L666-Q670 HydrophobicContact CG-CG 4.28Å; L666-Q670 WeakPolarHBondContact O-CB 3.25Å; L666-Q670 WeakPolarHBondContact O-CG 3.43Å; L666-Q670 PolarHBondContact O-N 3.34Å; L666-A712 HydrophobicContact CD2-CB 4.41Å; L666-V714 HydrophobicContact CD2-CG2 3.97Å
667A98.1Very high96.9Very high0 Ų028.9 Ų28.90%013%0.127CC..Hα-helixtrans-62.9-39.5-179.900000112.6K663 V664 Q670 L671 L705 I708 A709K663-A667 WeakPolarHBondContact O-CB 3.32Å; K663-A667 PolarHBondContact O-N 2.66Å; V664-A667 PolarHBondContact O-N 2.93Å; V664-A667 VanDerWaalsContact O-N 3.08Å; A667-Q670 PolarHBondContact O-N 2.98Å; A667-L671 WeakPolarHBondContact O-CB 3.33Å; A667-L671 WeakPolarHBondContact O-CG 3.34Å; A667-L671 PolarHBondContact O-N 3.31Å; A667-L705 HydrophobicContact CB-CD1 3.8Å; A667-I708 HydrophobicContact CB-CB 4.19Å; A667-I708 HydrophobicContact CB-CG2 3.69Å; A667-A709 HydrophobicContact CB-CB 3.96Å
668L98Very high97Very high0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-58.9-48173.4-67.1171.8000111.4F637 F641 V664 L666 L671 A672 M692 Y696 L705F637-L668 HydrophobicContact CD1-CD1 4.14Å; F637-L668 HydrophobicContact CE1-CD1 3.41Å; F637-L668 VanDerWaalsContact CE1-CD1 3.41Å; F637-L668 HydrophobicContact CZ-CD1 4.08Å; F641-L668 HydrophobicContact CE1-CD1 4.12Å; F641-L668 HydrophobicContact CE1-CD2 3.73Å; F641-L668 HydrophobicContact CZ-CD1 3.73Å; F641-L668 HydrophobicContact CZ-CD2 4.14Å; V664-L668 HydrophobicContact CG1-CD1 4.08Å; V664-L668 HydrophobicContact CG1-CG 4.22Å; V664-L668 VanDerWaalsContact O-CG 3.3Å; V664-L668 WeakPolarHBondContact O-CG 3.49Å; V664-L668 PolarHBondContact O-N 3.17Å; L666-L668 PolarHBondContact O-N 3.13Å; L668-L671 PolarHBondContact O-N 2.84Å; L668-A672 WeakPolarHBondContact O-CB 3.46Å; L668-A672 PolarHBondContact O-N 3.2Å; L668-M692 HydrophobicContact CB-CE 3.97Å; L668-M692 HydrophobicContact CB-SD 4.13Å; L668-M692 HydrophobicContact CD1-CE 4.38Å; L668-M692 HydrophobicContact CD1-SD 4.11Å; L668-M692 HydrophobicContact CD2-SD 3.72Å; L668-M692 HydrophobicContact CG-SD 4.2Å; L668-Y696 HydrophobicContact CD2-CD2 4.29Å; L668-Y696 HydrophobicContact CD2-CE2 3.4Å; L668-Y696 VanDerWaalsContact CD2-CE2 3.4Å; L668-L705 HydrophobicContact CD2-CD1 3.6Å; L668-L705 HydrophobicContact CD2-CD2 3.74Å; L668-L705 HydrophobicContact CD2-CG 4.34Å; L668-L705 HydrophobicContact CG-CD1 3.99Å
669L97.8Very high97.1Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-69.6-33.4178.6-65.7172.8000112.6I607 L611 F618 F628 W632 S665 L666 R673 L676 L688I607-L669 HydrophobicContact CD1-CD1 3.42Å; I607-L669 VanDerWaalsContact CD1-CD1 3.42Å; I607-L669 HydrophobicContact CG1-CD1 3.69Å; L611-L669 HydrophobicContact CD1-CB 3.67Å; F618-L669 HydrophobicContact CE2-CD2 4.38Å; F618-L669 HydrophobicContact CZ-CD2 4.32Å; F628-L669 HydrophobicContact CE2-CD1 4.37Å; F628-L669 HydrophobicContact CE2-CD2 4.43Å; W632-L669 HydrophobicContact CH2-CD2 4.2Å; W632-L669 HydrophobicContact CH2-CG 4.31Å; W632-L669 HydrophobicContact CZ3-CG 4.48Å; S665-L669 WeakPolarHBondContact O-CG 3.43Å; S665-L669 PolarHBondContact O-N 3.09Å; L666-L669 PolarHBondContact O-N 3.47Å; L669-R673 WeakPolarHBondContact O-CA 3.39Å; L669-R673 PolarHBondContact O-N 2.79Å; L669-L676 HydrophobicContact CD2-CD1 3.81Å; L669-L688 HydrophobicContact CD2-CD2 3.98Å
670Q97.3Very high97.2Very high63 Ų6338.6 Ų38.629%0.29419%0.194SC..Hα-helixtrans-64.5-44.1173-77.9177.1-10.300111.7L611 L666 A667 R673L611-Q670 HydrophobicContact CD1-CG 3.99Å; L611-Q670 HydrophobicContact CD2-CG 3.94Å; L611-Q670 HydrophobicContact CG-CG 4.16Å; L666-Q670 HydrophobicContact CD1-CG 4.12Å; L666-Q670 HydrophobicContact CG-CG 4.28Å; L666-Q670 WeakPolarHBondContact O-CB 3.25Å; L666-Q670 WeakPolarHBondContact O-CG 3.43Å; L666-Q670 PolarHBondContact O-N 3.34Å; A667-Q670 PolarHBondContact O-N 2.98Å; Q670-R673 WeakPolarHBondContact O-CB 3.29Å; Q670-R673 PolarHBondContact O-N 3.48Å
671L96.8Very high97.2Very high31 Ų3142.5 Ų42.516%0.16221%0.211CC..Hα-helixtrans-70-34.4178-80.2173.1000113.3A667 L668 Y696 E704 L705 I708A667-L671 WeakPolarHBondContact O-CB 3.33Å; A667-L671 WeakPolarHBondContact O-CG 3.34Å; A667-L671 PolarHBondContact O-N 3.31Å; L668-L671 PolarHBondContact O-N 2.84Å; L671-Y696 HydrophobicContact CD1-CE1 4.25Å; L671-Y696 WeakPolarHBondContact CD1-OH 3.47Å; L671-E704 HydrophobicContact CD2-CG 3.99Å; L671-L705 HydrophobicContact CD1-CB 4.11Å; L671-L705 HydrophobicContact CD1-CD1 4.13Å; L671-I708 HydrophobicContact CD1-CD1 4.1Å; L671-I708 HydrophobicContact CD2-CD1 3.5Å; L671-I708 HydrophobicContact CG-CD1 3.73Å
672A96.5Very high97.1Very high3 Ų349.4 Ų49.43%0.02524%0.244CC..Hα-helixtrans-86.6-5.2177.600000113.7L668 R674 D675 L676L668-A672 WeakPolarHBondContact O-CB 3.46Å; L668-A672 PolarHBondContact O-N 3.2Å; A672-R674 VanDerWaalsContact C-N 3.28Å; A672-R674 PolarHBondContact O-N 3.05Å; A672-R674 VanDerWaalsContact O-N 3.07Å; A672-D675 PolarHBondContact O-N 3.08Å; A672-L676 HydrophobicContact CB-CD1 3.73Å; A672-L676 HydrophobicContact CB-CG 3.9Å; A672-L676 WeakPolarHBondContact O-CG 3.42Å; A672-L676 PolarHBondContact O-N 3.34Å
673R97.4Very high97Very high104 Ų10450.1 Ų50.139%0.39225%0.251SS..Hα-helixtrans-46.7-44.4-171.8177.5177.9-178.1-176.8-3114.4D613 V614 L669 Q670 L677D613-R673 IonicContact OD1-CZ 3.42Å; D613-R673 IonicContact OD1-NE 3.46Å; D613-R673 PolarHBondContact OD1-NE 3.23Å; D613-R673 IonicContact OD1-NH2 3.99Å; D613-R673 PolarHBondContact OD1-NH2 3.14Å; D613-R673 IonicContact OD2-CZ 2.75Å; D613-R673 IonicContact OD2-NE 3.65Å; D613-R673 PolarHBondContact OD2-NE 3.48Å; D613-R673 IonicContact OD2-NH2 3.68Å; D613-R673 PolarHBondContact OD2-NH2 3.37Å; V614-R673 HydrophobicContact CG2-CB 4.33Å; V614-R673 HydrophobicContact CG2-CG 3.75Å; L669-R673 WeakPolarHBondContact O-CA 3.39Å; L669-R673 PolarHBondContact O-N 2.79Å; Q670-R673 WeakPolarHBondContact O-CB 3.29Å; Q670-R673 PolarHBondContact O-N 3.48Å; R673-L677 HydrophobicContact CG-CD1 4Å; R673-L677 WeakPolarHBondContact O-CD1 3.47Å; R673-L677 VanDerWaalsContact O-CG 3.25Å; R673-L677 WeakPolarHBondContact O-CG 3.38Å; R673-L677 PolarHBondContact O-N 2.76Å
674R95.5Very high97Very high228 Ų22849.2 Ų49.286%0.8625%0.247SC*.Hα-helixtrans-67.1-39.6-179.3-73.8-176.5176.2163.4-0.1112.6A672A672-R674 VanDerWaalsContact C-N 3.28Å; A672-R674 PolarHBondContact O-N 3.05Å; A672-R674 VanDerWaalsContact O-N 3.07Å
675D95.5Very high96.8Very high78 Ų7851.4 Ų51.442%0.41726%0.259SS..Hα-helixtrans-72.4-45.6-179.7-53.4-35.4000109.7A672 L677 G678 L679 H687A672-D675 PolarHBondContact O-N 3.08Å; D675-L677 PolarHBondContact O-N 2.79Å; D675-G678 PolarHBondContact O-N 2.94Å; D675-G678 VanDerWaalsContact O-N 3.14Å; D675-L679 WeakPolarHBondContact O-CD1 3.33Å; D675-L679 VanDerWaalsContact O-CG 3.29Å; D675-L679 WeakPolarHBondContact O-CG 3.33Å; D675-H687 VanDerWaalsContact CB-CE1 3.47Å; D675-H687 WeakPolarHBondContact CB-CE1 3.4Å; D675-H687 IonicContact OD2-CE1 2.67Å; D675-H687 PolarHBondContact OD2-CE1 2.76Å; D675-H687 IonicContact OD2-NE2 3.63Å
676L97.3Very high96.7Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-59.4-40.4-177.9-67.5171.7000113.8V614 H617 F618 L669 A672 G678 L679 V684 L688V614-L676 HydrophobicContact CG1-CD1 4.34Å; H617-L676 PolarHBondContact CD2-O 3.46Å; H617-L676 VanDerWaalsContact CD2-O 3.29Å; H617-L676 PolarHBondContact NE2-O 2.94Å; H617-L676 VanDerWaalsContact NE2-O 3.15Å; F618-L676 HydrophobicContact CE1-CB 4.46Å; F618-L676 HydrophobicContact CE1-CD2 4.49Å; F618-L676 HydrophobicContact CZ-CD1 4.17Å; F618-L676 HydrophobicContact CZ-CD2 4.39Å; L669-L676 HydrophobicContact CD2-CD1 3.81Å; A672-L676 HydrophobicContact CB-CD1 3.73Å; A672-L676 HydrophobicContact CB-CG 3.9Å; A672-L676 WeakPolarHBondContact O-CG 3.42Å; A672-L676 PolarHBondContact O-N 3.34Å; L676-G678 PolarHBondContact O-N 3.34Å; L676-L679 PolarHBondContact O-N 3.46Å; L676-V684 HydrophobicContact CD2-CB 4.47Å; L676-V684 HydrophobicContact CD2-CG1 3.87Å; L676-V684 HydrophobicContact CD2-CG2 4.27Å; L676-L688 HydrophobicContact CD1-CD2 4.43Å; L676-L688 HydrophobicContact CD2-CD2 3.86Å; L676-L688 HydrophobicContact CD2-CG 4.05Å
677L97.3Very high96.5Very high66 Ų6656.8 Ų56.835%0.34628%0.282SS..THydrogen-bonded Turntrans-70.3-14.4-179.7-68.6168.7000113.8D613 V614 H617 R673 D675D613-L677 HydrophobicContact CB-CD2 4.39Å; D613-L677 WeakPolarHBondContact OD2-CD1 3.43Å; V614-L677 HydrophobicContact CG2-CD2 4.33Å; V614-L677 HydrophobicContact CG2-CG 4.42Å; H617-L677 HydrophobicContact CB-CD2 3.8Å; R673-L677 HydrophobicContact CG-CD1 4Å; R673-L677 WeakPolarHBondContact O-CD1 3.47Å; R673-L677 VanDerWaalsContact O-CG 3.25Å; R673-L677 WeakPolarHBondContact O-CG 3.38Å; R673-L677 PolarHBondContact O-N 2.76Å; D675-L677 PolarHBondContact O-N 2.79Å
678G93.7Very high96.4Very high68 Ų6857.1 Ų57.170%0.70128%0.284SS*.THydrogen-bonded Turntrans-98.20.217700000114.5D675 L676D675-G678 PolarHBondContact O-N 2.94Å; D675-G678 VanDerWaalsContact O-N 3.14Å; L676-G678 PolarHBondContact O-N 3.34Å
679L97.2Very high96.2Very high51 Ų5164.8 Ų64.827%0.26731%0.313SS..  trans-111151.2-172.2-67.9166.6000111.7H617 D675 L676 V684 H687H617-L679 PolarHBondContact CE1-O 2.9Å; H617-L679 PolarHBondContact NE2-O 2.77Å; D675-L679 WeakPolarHBondContact O-CD1 3.33Å; D675-L679 VanDerWaalsContact O-CG 3.29Å; D675-L679 WeakPolarHBondContact O-CG 3.33Å; L676-L679 PolarHBondContact O-N 3.46Å; L679-V684 HydrophobicContact CB-CG2 3.75Å; L679-H687 HydrophobicContact CD1-CB 3.72Å
680D97.4Very high95.9Very high97 Ų9765.2 Ų65.252%0.51932%0.315SS..  trans-84.5-174.117064.93.9000111.7E682 G683 V684D680-E682 PolarHBondContact O-N 3.36Å; D680-G683 PolarHBondContact O-N 3.08Å; D680-G683 WeakPolarHBondContact OD1-CA 3.38Å; D680-G683 PolarHBondContact OD1-N 2.98Å; D680-V684 WeakPolarHBondContact O-CB 3.46Å; D680-V684 WeakPolarHBondContact O-CG2 3.13Å; D680-V684 PolarHBondContact O-N 2.75Å
681F97.3Very high95.7Very high83 Ų8365.7 Ų65.736%0.36432%0.323SS..Hα-helixtrans-56-47.3-177.5178.8-89.6000113L623 M627 L685L623-F681 HydrophobicContact CB-CD2 4.29Å; L623-F681 HydrophobicContact CB-CE2 4.41Å; L623-F681 HydrophobicContact CD1-CD2 3.99Å; L623-F681 HydrophobicContact CD1-CE2 3.75Å; L623-F681 HydrophobicContact CD1-CZ 4.42Å; M627-F681 HydrophobicContact SD-CE2 3.84Å; M627-F681 HydrophobicContact SD-CZ 3.92Å; F681-L685 HydrophobicContact CD1-CD1 4.1Å; F681-L685 HydrophobicContact CE1-CD1 3.55Å; F681-L685 HydrophobicContact CZ-CD1 3.79Å; F681-L685 WeakPolarHBondContact O-CG 3.29Å; F681-L685 PolarHBondContact O-N 3.02Å
682E95.3Very high95.6Very high145 Ų14564.4 Ų64.468%0.67832%0.316SS*.Hα-helixtrans-70.9-43.3178.9-171.8-179.1159.400111.2D680 V684 L685 K686D680-E682 PolarHBondContact O-N 3.36Å; E682-V684 PolarHBondContact O-N 2.89Å; E682-L685 PolarHBondContact O-N 3.33Å; E682-K686 WeakPolarHBondContact O-CB 3.45Å; E682-K686 PolarHBondContact O-N 2.78Å
683G96.1Very high95.5Very high15 Ų1564.3 Ų64.316%0.15532%0.315CS..Hα-helixtrans-57.9-44.4177.800000112.7D680 K686 H687D680-G683 PolarHBondContact O-N 3.08Å; D680-G683 WeakPolarHBondContact OD1-CA 3.38Å; D680-G683 PolarHBondContact OD1-N 2.98Å; G683-K686 PolarHBondContact O-N 2.87Å; G683-H687 VanDerWaalsContact O-CB 3.3Å; G683-H687 WeakPolarHBondContact O-CB 3.37Å; G683-H687 PolarHBondContact O-N 2.94Å
684V97Very high95.3Very high0 Ų061.7 Ų61.70%031%0.307CS..Hα-helixtrans-61.7-50.4175.6169.20000110.8F618 L621 L623 L676 L679 D680 E682 K686 H687 L688F618-V684 HydrophobicContact CE1-CG1 3.79Å; F618-V684 HydrophobicContact CE1-CG2 4.29Å; F618-V684 HydrophobicContact CZ-CG1 4.02Å; L621-V684 HydrophobicContact CD1-CG2 4.29Å; L623-V684 HydrophobicContact CD2-CB 4.32Å; L623-V684 HydrophobicContact CD2-CG1 3.42Å; L623-V684 VanDerWaalsContact CD2-CG1 3.42Å; L676-V684 HydrophobicContact CD2-CB 4.47Å; L676-V684 HydrophobicContact CD2-CG1 3.87Å; L676-V684 HydrophobicContact CD2-CG2 4.27Å; L679-V684 HydrophobicContact CB-CG2 3.75Å; D680-V684 WeakPolarHBondContact O-CB 3.46Å; D680-V684 WeakPolarHBondContact O-CG2 3.13Å; D680-V684 PolarHBondContact O-N 2.75Å; E682-V684 PolarHBondContact O-N 2.89Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 2.86Å; V684-H687 PolarHBondContact O-N 3.09Å; V684-L688 HydrophobicContact CG1-CD1 3.66Å; V684-L688 HydrophobicContact CG1-CG 4.21Å; V684-L688 WeakPolarHBondContact O-CB 3.4Å; V684-L688 VanDerWaalsContact O-CG 3.28Å; V684-L688 WeakPolarHBondContact O-CG 3.42Å; V684-L688 PolarHBondContact O-N 3Å
685L95.5Very high95.2Very high48 Ų4855 Ų5525%0.25128%0.284SS..Hα-helixtrans-60.8-41.3179.1-73.3175000112.1L623 M627 F628 F681 E682 R689L623-L685 HydrophobicContact CD1-CD1 4.32Å; L623-L685 HydrophobicContact CD1-CD2 3.75Å; L623-L685 HydrophobicContact CD1-CG 3.87Å; M627-L685 HydrophobicContact CB-CD2 4.2Å; F628-L685 HydrophobicContact CB-CD2 4.33Å; F681-L685 HydrophobicContact CD1-CD1 4.1Å; F681-L685 HydrophobicContact CE1-CD1 3.55Å; F681-L685 HydrophobicContact CZ-CD1 3.79Å; F681-L685 WeakPolarHBondContact O-CG 3.29Å; F681-L685 PolarHBondContact O-N 3.02Å; E682-L685 PolarHBondContact O-N 3.33Å; L685-R689 WeakPolarHBondContact O-CB 3.45Å; L685-R689 PolarHBondContact O-N 3.14Å; L685-R689 VanDerWaalsContact O-N 3.1Å
686K94.3Very high95.1Very high93 Ų9351.4 Ų51.440%0.40426%0.264SS..Hα-helixtrans-63.7-46.8175.6-174.7178-179.31790111.6N391 E682 G683 V684 R689 V690N391-K686 WeakPolarHBondContact OD1-CE 3.34Å; N391-K686 PolarHBondContact OD1-NZ 2.85Å; E682-K686 WeakPolarHBondContact O-CB 3.45Å; E682-K686 PolarHBondContact O-N 2.78Å; G683-K686 PolarHBondContact O-N 2.87Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 2.86Å; K686-R689 PolarHBondContact O-N 3.13Å; K686-V690 WeakPolarHBondContact O-CB 3.42Å; K686-V690 PolarHBondContact O-N 2.74Å
687H95.9Very high94.7Very high20 Ų2055.6 Ų55.69%0.09329%0.286CS..Iπ-helixtrans-60.1-50.3178.6-179.2102.9000111.3D675 L679 G683 V684 R689 T691 M692D675-H687 VanDerWaalsContact CB-CE1 3.47Å; D675-H687 WeakPolarHBondContact CB-CE1 3.4Å; D675-H687 IonicContact OD2-CE1 2.67Å; D675-H687 PolarHBondContact OD2-CE1 2.76Å; D675-H687 IonicContact OD2-NE2 3.63Å; L679-H687 HydrophobicContact CD1-CB 3.72Å; G683-H687 VanDerWaalsContact O-CB 3.3Å; G683-H687 WeakPolarHBondContact O-CB 3.37Å; G683-H687 PolarHBondContact O-N 2.94Å; V684-H687 PolarHBondContact O-N 3.09Å; H687-R689 VanDerWaalsContact C-N 3.27Å; H687-R689 PolarHBondContact O-N 2.98Å; H687-T691 PolarHBondContact O-N 3.31Å; H687-M692 VanDerWaalsContact O-CB 3.31Å; H687-M692 WeakPolarHBondContact O-CB 3.21Å; H687-M692 PolarHBondContact O-N 2.9Å
688L95.5Very high94.3Very high6 Ų655 Ų553%0.03129%0.291CS..Iπ-helixtrans-63.8-30.8-179.2-65.5173.3000112.7F628 W632 L669 L676 V684 M692F628-L688 HydrophobicContact CB-CD1 3.7Å; F628-L688 HydrophobicContact CD1-CD1 4.1Å; F628-L688 HydrophobicContact CD2-CD1 3.9Å; F628-L688 HydrophobicContact CG-CD1 3.65Å; W632-L688 HydrophobicContact CH2-CD2 4.48Å; W632-L688 HydrophobicContact CZ2-CD2 4.45Å; L669-L688 HydrophobicContact CD2-CD2 3.98Å; L676-L688 HydrophobicContact CD1-CD2 4.43Å; L676-L688 HydrophobicContact CD2-CD2 3.86Å; L676-L688 HydrophobicContact CD2-CG 4.05Å; V684-L688 HydrophobicContact CG1-CD1 3.66Å; V684-L688 HydrophobicContact CG1-CG 4.21Å; V684-L688 WeakPolarHBondContact O-CB 3.4Å; V684-L688 VanDerWaalsContact O-CG 3.28Å; V684-L688 WeakPolarHBondContact O-CG 3.42Å; V684-L688 PolarHBondContact O-N 3Å; L688-M692 HydrophobicContact CB-CE 4.34Å; L688-M692 HydrophobicContact CD2-CE 3.35Å; L688-M692 HydrophobicContact CG-CE 4.44Å
689R92.6Very high93.9Very high161 Ų16157.2 Ų57.261%0.60828%0.283SS*.Iπ-helixtrans-90.8-31-176.7179.8175.1167.2171.5-4.5114.8L685 K686 H687L685-R689 WeakPolarHBondContact O-CB 3.45Å; L685-R689 PolarHBondContact O-N 3.14Å; L685-R689 VanDerWaalsContact O-N 3.1Å; K686-R689 PolarHBondContact O-N 3.13Å; H687-R689 VanDerWaalsContact C-N 3.27Å; H687-R689 PolarHBondContact O-N 2.98Å
690V92.4Very high93.6Very high9 Ų960.9 Ų60.96%0.05530%0.303CS..Iπ-helixtrans-118.5-60.9-169.9-178.50000111.7D390 E392 P393 K686 K694D390-V690 WeakPolarHBondContact O-CG1 3.5Å; E392-V690 WeakPolarHBondContact O-CG1 3.28Å; P393-V690 HydrophobicContact CB-CG2 4.17Å; K686-V690 WeakPolarHBondContact O-CB 3.42Å; K686-V690 PolarHBondContact O-N 2.74Å; V690-K694 HydrophobicContact CG1-CD 4.47Å; V690-K694 WeakPolarHBondContact O-CG 3.26Å
691T93.8Very high93.4Very high73 Ų7356.8 Ų56.845%0.44828%0.283SS..Iπ-helixtrans-67.4-47-173.7-48.90000111.6H687 K694 K695H687-T691 PolarHBondContact O-N 3.31Å; T691-K694 PolarHBondContact O-N 3.44Å; T691-K695 PolarHBondContact O-N 2.77Å
692M94.6Very high93.1Very high4 Ų453.2 Ų53.22%0.0227%0.267CS..Hα-helixtrans-65.7-45.4-172.9-175.5-115-83.900112.9W632 F641 L668 H687 L688 K694 K695 Y696W632-M692 HydrophobicContact CH2-CE 4.02Å; W632-M692 HydrophobicContact CZ2-CE 3.65Å; F641-M692 HydrophobicContact CE1-SD 3.85Å; F641-M692 HydrophobicContact CZ-SD 3.57Å; F641-M692 VanDerWaalsContact CZ-SD 3.57Å; L668-M692 HydrophobicContact CB-CE 3.97Å; L668-M692 HydrophobicContact CB-SD 4.13Å; L668-M692 HydrophobicContact CD1-CE 4.38Å; L668-M692 HydrophobicContact CD1-SD 4.11Å; L668-M692 HydrophobicContact CD2-SD 3.72Å; L668-M692 HydrophobicContact CG-SD 4.2Å; H687-M692 VanDerWaalsContact O-CB 3.31Å; H687-M692 WeakPolarHBondContact O-CB 3.21Å; H687-M692 PolarHBondContact O-N 2.9Å; L688-M692 HydrophobicContact CB-CE 4.34Å; L688-M692 HydrophobicContact CD2-CE 3.35Å; L688-M692 HydrophobicContact CG-CE 4.44Å; M692-K694 PolarHBondContact O-N 3.09Å; M692-K695 WeakPolarHBondContact O-CB 3.25Å; M692-K695 PolarHBondContact O-N 2.76Å; M692-Y696 HydrophobicContact CG-CE2 3.97Å; M692-Y696 WeakPolarHBondContact O-CD2 3.11Å; M692-Y696 VanDerWaalsContact O-CE2 3.3Å; M692-Y696 WeakPolarHBondContact O-CE2 3.47Å; M692-Y696 HydrophobicContact SD-CE2 4.23Å
693P94.1Very high92.9Very high2 Ų251.5 Ų51.51%0.01326%0.259CS..Hα-helixtrans-67-34175.9-21.433.9000114K640 F641 P642 K695 Y696K640-P693 HydrophobicContact CB-CG 4.34Å; K640-P693 VanDerWaalsContact O-CB 3.27Å; K640-P693 WeakPolarHBondContact O-CB 3.29Å; F641-P693 HydrophobicContact CD1-CB 4.44Å; F641-P693 HydrophobicContact CE1-CB 4.46Å; F641-P693 HydrophobicContact CE2-CG 4.38Å; F641-P693 HydrophobicContact CZ-CG 4.27Å; P642-P693 WeakPolarHBondContact CD-O 3.48Å; P693-K695 VanDerWaalsContact C-N 3.32Å; P693-K695 PolarHBondContact O-N 3.22Å; P693-Y696 PolarHBondContact O-N 2.79Å
694K92.8Very high92.9Very high48 Ų4855.1 Ų55.121%0.20927%0.272CS..Hα-helixtrans-61.1-38.7175.7-76178.3178.7-179.30112S389 D390 E392 L394 V690 T691 M692 Y696 L697S389-K694 PolarHBondContact O-NZ 3.35Å; D390-K694 PolarHBondContact O-NZ 2.75Å; E392-K694 WeakPolarHBondContact O-CE 3.4Å; E392-K694 PolarHBondContact O-NZ 2.74Å; L394-K694 HydrophobicContact CB-CG 4.44Å; L394-K694 HydrophobicContact CD1-CG 4.34Å; V690-K694 HydrophobicContact CG1-CD 4.47Å; V690-K694 WeakPolarHBondContact O-CG 3.26Å; T691-K694 PolarHBondContact O-N 3.44Å; M692-K694 PolarHBondContact O-N 3.09Å; K694-Y696 PolarHBondContact O-N 3.03Å; K694-Y696 VanDerWaalsContact O-N 3.17Å; K694-L697 WeakPolarHBondContact O-CB 3.46Å; K694-L697 WeakPolarHBondContact O-CG 3.21Å; K694-L697 PolarHBondContact O-N 3.42Å; K694-L697 VanDerWaalsContact O-N 3.15Å
695K93.5Very high92.9Very high89 Ų8955.2 Ų55.239%0.38727%0.272SS..Hα-helixtrans-52.9-37.4-179.8-175.4177.8176.6178.50113T691 M692 P693 L697 A698 A701T691-K695 PolarHBondContact O-N 2.77Å; M692-K695 WeakPolarHBondContact O-CB 3.25Å; M692-K695 PolarHBondContact O-N 2.76Å; P693-K695 VanDerWaalsContact C-N 3.32Å; P693-K695 PolarHBondContact O-N 3.22Å; K695-L697 VanDerWaalsContact C-N 3.27Å; K695-L697 PolarHBondContact O-N 2.97Å; K695-A698 PolarHBondContact O-N 3.27Å; K695-A701 HydrophobicContact CG-CB 4.27Å; K695-A701 WeakPolarHBondContact O-CB 3.28Å
696Y93.6Very high92.8Very high2 Ų253.4 Ų53.41%0.00826%0.263CS..THydrogen-bonded Turntrans-84.88.6-174.6-56.2-66.7000114.9F641 V645 L668 L671 M692 P693 K694 A701 L705F641-Y696 AromaticContact CD1-CD2 3.98Å; F641-Y696 HydrophobicContact CD1-CD2 3.98Å; F641-Y696 AromaticContact CE1-CD2 3.77Å; F641-Y696 HydrophobicContact CE1-CD2 3.77Å; F641-Y696 HydrophobicContact CE1-CE2 4.02Å; V645-Y696 WeakPolarHBondContact CG2-O 3.32Å; L668-Y696 HydrophobicContact CD2-CD2 4.29Å; L668-Y696 HydrophobicContact CD2-CE2 3.4Å; L668-Y696 VanDerWaalsContact CD2-CE2 3.4Å; L671-Y696 HydrophobicContact CD1-CE1 4.25Å; L671-Y696 WeakPolarHBondContact CD1-OH 3.47Å; M692-Y696 HydrophobicContact CG-CE2 3.97Å; M692-Y696 WeakPolarHBondContact O-CD2 3.11Å; M692-Y696 VanDerWaalsContact O-CE2 3.3Å; M692-Y696 WeakPolarHBondContact O-CE2 3.47Å; M692-Y696 HydrophobicContact SD-CE2 4.23Å; P693-Y696 PolarHBondContact O-N 2.79Å; K694-Y696 PolarHBondContact O-N 3.03Å; K694-Y696 VanDerWaalsContact O-N 3.17Å; Y696-A701 HydrophobicContact CD1-CB 4.04Å; Y696-A701 WeakPolarHBondContact CD1-O 3.39Å; Y696-A701 HydrophobicContact CE1-CB 4.43Å; Y696-A701 WeakPolarHBondContact CE1-O 3.29Å; Y696-L705 HydrophobicContact CD1-CB 4.06Å; Y696-L705 HydrophobicContact CD1-CD2 3.89Å; Y696-L705 HydrophobicContact CD2-CD2 4.3Å; Y696-L705 HydrophobicContact CE1-CB 3.66Å; Y696-L705 HydrophobicContact CE1-CD2 3.82Å; Y696-L705 HydrophobicContact CE1-CG 4.2Å; Y696-L705 HydrophobicContact CE2-CD2 4.21Å; Y696-L705 HydrophobicContact CG-CD2 4.14Å
697L89.1Confident92.9Very high87 Ų8752.6 Ų52.646%0.45527%0.269SS..THydrogen-bonded Turntrans-65.6-32.1163.5-71.6167.4000111.1L394 P642 K694 K695L394-L697 HydrophobicContact CD1-CD1 3.96Å; L394-L697 HydrophobicContact CD2-CD2 4.48Å; P642-L697 HydrophobicContact CB-CD2 3.95Å; P642-L697 HydrophobicContact CG-CD2 3.64Å; P642-L697 HydrophobicContact CG-CG 3.82Å; K694-L697 WeakPolarHBondContact O-CB 3.46Å; K694-L697 WeakPolarHBondContact O-CG 3.21Å; K694-L697 PolarHBondContact O-N 3.42Å; K694-L697 VanDerWaalsContact O-N 3.15Å; K695-L697 VanDerWaalsContact C-N 3.27Å; K695-L697 PolarHBondContact O-N 2.97Å
698A89.3Confident92.9Very high54 Ų5453.7 Ų53.745%0.44628%0.275SS..SBendtrans-72.4134.8176.400000111.3K695 D700 A701 N702K695-A698 PolarHBondContact O-N 3.27Å; A698-D700 PolarHBondContact O-N 3.37Å; A698-A701 HydrophobicContact CB-CB 4.25Å; A698-A701 PolarHBondContact O-N 2.93Å; A698-N702 PolarHBondContact O-N 2.88Å
699H85.9Confident93Very high115 Ų11553.4 Ų53.453%0.53227%0.274SS..Hα-helixtrans-61.9-44.2-175.5-170.610.7000112.5A701 N702 Q703H699-A701 VanDerWaalsContact C-N 3.35Å; H699-A701 PolarHBondContact O-N 3.19Å; H699-N702 WeakPolarHBondContact O-CB 3.38Å; H699-N702 PolarHBondContact O-N 3.38Å; H699-N702 VanDerWaalsContact O-N 3.17Å; H699-Q703 PolarHBondContact CE1-NE2 2.83Å; H699-Q703 PolarHBondContact NE2-NE2 3.35Å; H699-Q703 VanDerWaalsContact NE2-NE2 3.16Å; H699-Q703 PolarHBondContact O-N 2.75Å
700D90.6Very high93.2Very high127 Ų12748.6 Ų48.668%0.67926%0.26SS*.Hα-helixtrans-63.8-40.6-177.4-54.7-21.4000111.6A698 N702 Q703 E704A698-D700 PolarHBondContact O-N 3.37Å; D700-N702 VanDerWaalsContact C-N 3.32Å; D700-N702 PolarHBondContact O-N 3.29Å; D700-Q703 PolarHBondContact O-N 3.41Å; D700-E704 WeakPolarHBondContact O-CB 3.12Å; D700-E704 PolarHBondContact O-N 3.49Å
701A93.1Very high93.3Very high12 Ų1252.2 Ų52.210%0.09929%0.285CS..Hα-helixtrans-65.4-34.7176.200000112.4K695 Y696 A698 H699 L705K695-A701 HydrophobicContact CG-CB 4.27Å; K695-A701 WeakPolarHBondContact O-CB 3.28Å; Y696-A701 HydrophobicContact CD1-CB 4.04Å; Y696-A701 WeakPolarHBondContact CD1-O 3.39Å; Y696-A701 HydrophobicContact CE1-CB 4.43Å; Y696-A701 WeakPolarHBondContact CE1-O 3.29Å; A698-A701 HydrophobicContact CB-CB 4.25Å; A698-A701 PolarHBondContact O-N 2.93Å; H699-A701 VanDerWaalsContact C-N 3.35Å; H699-A701 PolarHBondContact O-N 3.19Å; A701-L705 WeakPolarHBondContact O-CB 3.45Å; A701-L705 PolarHBondContact O-N 3.5Å
702N90.4Very high93.4Very high8 Ų849.2 Ų49.24%0.04327%0.268CS..Hα-helixtrans-65.7-47.2172.4-178.43.2000110.8N644 V645 A698 H699 D700 E704 L705 L706N644-N702 PolarHBondContact ND2-ND2 2.95Å; N644-N702 PolarHBondContact O-ND2 3.1Å; V645-N702 HydrophobicContact CG2-CB 4.02Å; A698-N702 PolarHBondContact O-N 2.88Å; H699-N702 WeakPolarHBondContact O-CB 3.38Å; H699-N702 PolarHBondContact O-N 3.38Å; H699-N702 VanDerWaalsContact O-N 3.17Å; D700-N702 VanDerWaalsContact C-N 3.32Å; D700-N702 PolarHBondContact O-N 3.29Å; N702-E704 VanDerWaalsContact C-N 3.35Å; N702-E704 PolarHBondContact O-N 3.2Å; N702-L705 PolarHBondContact O-N 3.48Å; N702-L706 WeakPolarHBondContact O-CG 3.34Å; N702-L706 PolarHBondContact O-N 3.42Å; N702-L706 WeakPolarHBondContact OD1-CD1 3.15Å
703Q90.9Very high93.3Very high108 Ų10856.9 Ų56.951%0.50530%0.302SS..Hα-helixtrans-60.8-41.8175.8-66.4-170.310.600112.3H699 D700 L706 S707H699-Q703 PolarHBondContact CE1-NE2 2.83Å; H699-Q703 PolarHBondContact NE2-NE2 3.35Å; H699-Q703 VanDerWaalsContact NE2-NE2 3.16Å; H699-Q703 PolarHBondContact O-N 2.75Å; D700-Q703 PolarHBondContact O-N 3.41Å; Q703-L706 PolarHBondContact O-N 3.32Å; Q703-S707 VanDerWaalsContact O-CB 3.29Å; Q703-S707 WeakPolarHBondContact O-CB 3.19Å; Q703-S707 PolarHBondContact O-N 2.8Å
704E95.7Very high93.4Very high92 Ų9257.2 Ų57.243%0.4330%0.303SS..Hα-helixtrans-60.3-49.4176.1-174.2-176.3-144.800111.5L671 D700 N702 L706 S707 I708L671-E704 HydrophobicContact CD2-CG 3.99Å; D700-E704 WeakPolarHBondContact O-CB 3.12Å; D700-E704 PolarHBondContact O-N 3.49Å; N702-E704 VanDerWaalsContact C-N 3.35Å; N702-E704 PolarHBondContact O-N 3.2Å; E704-L706 PolarHBondContact O-N 2.85Å; E704-S707 PolarHBondContact O-N 2.99Å; E704-I708 HydrophobicContact CG-CD1 3.98Å; E704-I708 WeakPolarHBondContact O-CG1 3.36Å; E704-I708 PolarHBondContact O-N 2.93Å
705L96.9Very high93.5Very high1 Ų158.2 Ų58.21%0.00531%0.313CS..Hα-helixtrans-55.8-49.4176.917360.2000112.1V645 A667 L668 L671 Y696 A701 N702 I708 A709V645-L705 HydrophobicContact CG1-CD2 3.9Å; A667-L705 HydrophobicContact CB-CD1 3.8Å; L668-L705 HydrophobicContact CD2-CD1 3.6Å; L668-L705 HydrophobicContact CD2-CD2 3.74Å; L668-L705 HydrophobicContact CD2-CG 4.34Å; L668-L705 HydrophobicContact CG-CD1 3.99Å; L671-L705 HydrophobicContact CD1-CB 4.11Å; L671-L705 HydrophobicContact CD1-CD1 4.13Å; Y696-L705 HydrophobicContact CD1-CB 4.06Å; Y696-L705 HydrophobicContact CD1-CD2 3.89Å; Y696-L705 HydrophobicContact CD2-CD2 4.3Å; Y696-L705 HydrophobicContact CE1-CB 3.66Å; Y696-L705 HydrophobicContact CE1-CD2 3.82Å; Y696-L705 HydrophobicContact CE1-CG 4.2Å; Y696-L705 HydrophobicContact CE2-CD2 4.21Å; Y696-L705 HydrophobicContact CG-CD2 4.14Å; A701-L705 WeakPolarHBondContact O-CB 3.45Å; A701-L705 PolarHBondContact O-N 3.5Å; N702-L705 PolarHBondContact O-N 3.48Å; L705-I708 PolarHBondContact O-N 2.76Å; L705-A709 WeakPolarHBondContact O-CB 3.26Å; L705-A709 PolarHBondContact O-N 3.28Å
706L94.4Very high93.4Very high11 Ų1155.9 Ų55.96%0.05831%0.309CS..Hα-helixtrans-67.5-38.9-177.6-68.1168.4000111.8H648 I649 L652 N702 Q703 E704 A709 L710H648-L706 HydrophobicContact CB-CD1 3.87Å; H648-L706 HydrophobicContact CB-CD2 4.22Å; H648-L706 VanDerWaalsContact ND1-CD1 3.33Å; H648-L706 WeakPolarHBondContact ND1-CD1 3.31Å; I649-L706 HydrophobicContact CG1-CD2 4.5Å; L652-L706 HydrophobicContact CD1-CD2 4.43Å; N702-L706 WeakPolarHBondContact O-CG 3.34Å; N702-L706 PolarHBondContact O-N 3.42Å; N702-L706 WeakPolarHBondContact OD1-CD1 3.15Å; Q703-L706 PolarHBondContact O-N 3.32Å; E704-L706 PolarHBondContact O-N 2.85Å; L706-A709 PolarHBondContact O-N 3.17Å; L706-L710 WeakPolarHBondContact O-CB 3.46Å; L706-L710 WeakPolarHBondContact O-CD1 3.36Å; L706-L710 VanDerWaalsContact O-CG 3.23Å; L706-L710 WeakPolarHBondContact O-CG 3.37Å; L706-L710 PolarHBondContact O-N 2.73Å
707S95.9Very high93.5Very high76 Ų7658.9 Ų58.953%0.53133%0.334SS..Hα-helixtrans-61.2-43.8175-175.60000112.2Q703 E704 S711Q703-S707 VanDerWaalsContact O-CB 3.29Å; Q703-S707 WeakPolarHBondContact O-CB 3.19Å; Q703-S707 PolarHBondContact O-N 2.8Å; E704-S707 PolarHBondContact O-N 2.99Å; S707-S711 PolarHBondContact O-N 3.15Å; S707-S711 PolarHBondContact O-OG 2.62Å
708I97Very high93.8Very high42 Ų4257.7 Ų57.722%0.21533%0.325CS..Hα-helixtrans-68.6-42.1175.9-65.8170.5000110.7A667 L671 E704 L705 S711 A712A667-I708 HydrophobicContact CB-CB 4.19Å; A667-I708 HydrophobicContact CB-CG2 3.69Å; L671-I708 HydrophobicContact CD1-CD1 4.1Å; L671-I708 HydrophobicContact CD2-CD1 3.5Å; L671-I708 HydrophobicContact CG-CD1 3.73Å; E704-I708 HydrophobicContact CG-CD1 3.98Å; E704-I708 WeakPolarHBondContact O-CG1 3.36Å; E704-I708 PolarHBondContact O-N 2.93Å; L705-I708 PolarHBondContact O-N 2.76Å; I708-S711 CarbonylContact O-C 3.59Å; I708-S711 PolarHBondContact O-N 3.07Å; I708-S711 PolarHBondContact O-OG 3.46Å; I708-A712 WeakPolarHBondContact O-CB 3.34Å; I708-A712 PolarHBondContact O-N 2.75Å
709A97.4Very high94.1Very high0 Ų055.1 Ų55.10%030%0.304CS..Hα-helixtrans-62.6-43.9176.500000112.3F660 K663 V664 A667 L705 L706 S711 A712F660-A709 HydrophobicContact CE2-CB 4.38Å; F660-A709 HydrophobicContact CZ-CB 3.93Å; K663-A709 HydrophobicContact CB-CB 4.47Å; K663-A709 WeakPolarHBondContact CB-O 3.34Å; K663-A709 WeakPolarHBondContact CD-O 3.43Å; V664-A709 HydrophobicContact CG2-CB 4.05Å; A667-A709 HydrophobicContact CB-CB 3.96Å; L705-A709 WeakPolarHBondContact O-CB 3.26Å; L705-A709 PolarHBondContact O-N 3.28Å; L706-A709 PolarHBondContact O-N 3.17Å; A709-S711 VanDerWaalsContact C-N 3.27Å; A709-S711 PolarHBondContact O-N 3.47Å; A709-A712 WeakPolarHBondContact O-CB 3.21Å; A709-A712 PolarHBondContact O-N 2.87Å
710L95.3Very high94.5Very high60 Ų6052.2 Ų52.231%0.31429%0.29SS..Hα-helixtrans-60.3-36.3176.3-76.9164.3000112.4L652 F660 L706L652-L710 HydrophobicContact CD1-CD2 3.98Å; L652-L710 HydrophobicContact CD1-CG 4.33Å; L652-L710 HydrophobicContact CD2-CD2 3.8Å; F660-L710 HydrophobicContact CE2-CD2 4.23Å; L706-L710 WeakPolarHBondContact O-CB 3.46Å; L706-L710 WeakPolarHBondContact O-CD1 3.36Å; L706-L710 VanDerWaalsContact O-CG 3.23Å; L706-L710 WeakPolarHBondContact O-CG 3.37Å; L706-L710 PolarHBondContact O-N 2.73Å
711S95.5Very high94.8Very high85 Ų8551.7 Ų51.759%0.59428%0.282SS*.Hα-helixtrans-91.2-2.9179.258.30000114.8S707 I708 A709S707-S711 PolarHBondContact O-N 3.15Å; S707-S711 PolarHBondContact O-OG 2.62Å; I708-S711 CarbonylContact O-C 3.59Å; I708-S711 PolarHBondContact O-N 3.07Å; I708-S711 PolarHBondContact O-OG 3.46Å; A709-S711 VanDerWaalsContact C-N 3.27Å; A709-S711 PolarHBondContact O-N 3.47Å
712A95.4Very high95Very high11 Ų1151.2 Ų51.29%0.09128%0.278CS..  trans-64.8133.2-176.500000112.6K663 L666 I708 A709 V714K663-A712 HydrophobicContact CB-CB 4.08Å; K663-A712 HydrophobicContact CG-CB 4.06Å; L666-A712 HydrophobicContact CD2-CB 4.41Å; I708-A712 WeakPolarHBondContact O-CB 3.34Å; I708-A712 PolarHBondContact O-N 2.75Å; A709-A712 WeakPolarHBondContact O-CB 3.21Å; A709-A712 PolarHBondContact O-N 2.87Å; A712-V714 PolarHBondContact O-N 2.9Å
713K93.7Very high95.2Very high165 Ų16550.9 Ų50.972%0.71728%0.276SS*.  trans-81.349.5-173.9-61.5178.9-178.8174.90113.1Q610Q610-K713 PolarHBondContact NE2-O 3.32Å; Q610-K713 VanDerWaalsContact NE2-O 3.15Å
714V95.4Very high95.4Very high8 Ų851.7 Ų51.75%0.04828%0.278CS..  trans-94.5123.1170-175.30000108.5I606 I659 F662 K663 L666 A712 L719I606-V714 HydrophobicContact CD1-CG1 3.84Å; I606-V714 HydrophobicContact CD1-CG2 4.31Å; I606-V714 HydrophobicContact CG2-CG2 4.33Å; I659-V714 HydrophobicContact CG1-CG1 4.01Å; F662-V714 HydrophobicContact CB-CG1 3.95Å; F662-V714 HydrophobicContact CB-CG2 4.49Å; K663-V714 HydrophobicContact CG-CB 3.96Å; K663-V714 HydrophobicContact CG-CG2 4.14Å; L666-V714 HydrophobicContact CD2-CG2 3.97Å; A712-V714 PolarHBondContact O-N 2.9Å; V714-L719 HydrophobicContact CG1-CD1 4.06Å; V714-L719 HydrophobicContact CG1-CD2 4.44Å; V714-L719 HydrophobicContact CG1-CG 4.19Å
715T94.6Very high95.4Very high69 Ų6949.4 Ų49.442%0.42327%0.267SS..  trans-121.2148.3-178.366.50000111.3A717 K718 L719T715-A717 VanDerWaalsContact C-N 3.25Å; T715-A717 PolarHBondContact O-N 2.8Å; T715-K718 PolarHBondContact O-N 2.81Å; T715-K718 VanDerWaalsContact O-N 3.09Å; T715-K718 PolarHBondContact OG1-N 3.15Å; T715-L719 PolarHBondContact O-N 3.49Å; T715-L719 VanDerWaalsContact O-N 3.12Å
716S92.6Very high95.3Very high41 Ų4150.9 Ų50.929%0.28727%0.272SS..Hα-helixtrans-60.9-35.7-178.6107.20000112.1S447 K718 L719 Q720S447-S716 WeakPolarHBondContact O-CA 3.45Å; S447-S716 WeakPolarHBondContact O-CB 3.37Å; S716-K718 PolarHBondContact O-N 3.36Å; S716-L719 PolarHBondContact O-N 2.91Å; S716-Q720 WeakPolarHBondContact O-CG 3.3Å; S716-Q720 PolarHBondContact O-N 3.1Å
717A94.3Very high95.2Very high64 Ų6454.1 Ų54.153%0.52929%0.289SS..Hα-helixtrans-62.7-38174.900000113.4T715 K721T715-A717 VanDerWaalsContact C-N 3.25Å; T715-A717 PolarHBondContact O-N 2.8Å; A717-K721 WeakPolarHBondContact O-CB 3.15Å; A717-K721 PolarHBondContact O-N 3.12Å
718K95Very high95.1Very high63 Ų6354.1 Ų54.127%0.27429%0.286SS..Hα-helixtrans-65.8-46.1172.7-82.2-168171-148.10110.9D609 T715 S716 Q720 K721 Y722D609-K718 IonicContact OD2-NZ 3.51Å; D609-K718 PolarHBondContact OD2-NZ 3.2Å; T715-K718 PolarHBondContact O-N 2.81Å; T715-K718 VanDerWaalsContact O-N 3.09Å; T715-K718 PolarHBondContact OG1-N 3.15Å; S716-K718 PolarHBondContact O-N 3.36Å; K718-Q720 PolarHBondContact O-N 2.95Å; K718-K721 WeakPolarHBondContact O-CB 3.47Å; K718-K721 PolarHBondContact O-N 3.05Å; K718-K721 VanDerWaalsContact O-N 3.16Å; K718-Y722 HydrophobicContact CB-CE2 3.86Å; K718-Y722 WeakPolarHBondContact O-CD2 3.27Å; K718-Y722 PolarHBondContact O-N 2.83Å
719L96.4Very high94.9Very high0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-59-46.9176.8-70.5175.4000111.5H446 S447 Q602 I606 I659 F662 V714 T715 S716 K721 Y722 A723H446-L719 CarbonylContact O-C 3.56Å; S447-L719 VanDerWaalsContact O-CD1 3.31Å; S447-L719 WeakPolarHBondContact O-CD1 3.42Å; Q602-L719 HydrophobicContact CB-CD2 3.9Å; Q602-L719 HydrophobicContact CG-CD2 4.17Å; Q602-L719 VanDerWaalsContact NE2-C 3.32Å; Q602-L719 PolarHBondContact NE2-O 3.1Å; I606-L719 HydrophobicContact CD1-CD2 3.76Å; I659-L719 HydrophobicContact CB-CD1 4.14Å; I659-L719 HydrophobicContact CD1-CD1 4.2Å; I659-L719 HydrophobicContact CG1-CD1 3.82Å; F662-L719 HydrophobicContact CD1-CD2 4.12Å; F662-L719 HydrophobicContact CD2-CD1 3.89Å; F662-L719 HydrophobicContact CD2-CD2 3.88Å; F662-L719 HydrophobicContact CE1-CD2 4.07Å; F662-L719 HydrophobicContact CE2-CD1 4.2Å; F662-L719 HydrophobicContact CE2-CD2 3.83Å; F662-L719 HydrophobicContact CG-CD2 4.03Å; F662-L719 HydrophobicContact CZ-CD2 3.92Å; V714-L719 HydrophobicContact CG1-CD1 4.06Å; V714-L719 HydrophobicContact CG1-CD2 4.44Å; V714-L719 HydrophobicContact CG1-CG 4.19Å; T715-L719 PolarHBondContact O-N 3.49Å; T715-L719 VanDerWaalsContact O-N 3.12Å; S716-L719 PolarHBondContact O-N 2.91Å; L719-K721 VanDerWaalsContact C-N 3.33Å; L719-K721 PolarHBondContact O-N 3.4Å; L719-Y722 PolarHBondContact O-N 3.26Å; L719-A723 WeakPolarHBondContact O-CB 3.25Å; L719-A723 PolarHBondContact O-N 3.43Å
720Q94.4Very high94.5Very high54 Ų5459.9 Ų59.925%0.25231%0.307SS..Hα-helixtrans-59.8-39174.5-72.6-179.3-28.400112.9E443 H446 S716 K718 K724E443-Q720 PolarHBondContact O-NE2 3.43Å; H446-Q720 HydrophobicContact CB-CG 4.32Å; S716-Q720 WeakPolarHBondContact O-CG 3.3Å; S716-Q720 PolarHBondContact O-N 3.1Å; K718-Q720 PolarHBondContact O-N 2.95Å; Q720-K724 WeakPolarHBondContact O-CG 3.49Å; Q720-K724 PolarHBondContact O-N 2.64Å; Q720-K724 VanDerWaalsContact O-N 3.08Å
721K96.1Very high94.2Very high115 Ų11559.7 Ų59.750%0.532%0.315SS..Hα-helixtrans-60.3-53.8174.3-175.7-171.2-177.3-100.80111A717 K718 L719 A723 K724 E725A717-K721 WeakPolarHBondContact O-CB 3.15Å; A717-K721 PolarHBondContact O-N 3.12Å; K718-K721 WeakPolarHBondContact O-CB 3.47Å; K718-K721 PolarHBondContact O-N 3.05Å; K718-K721 VanDerWaalsContact O-N 3.16Å; L719-K721 VanDerWaalsContact C-N 3.33Å; L719-K721 PolarHBondContact O-N 3.4Å; K721-A723 VanDerWaalsContact C-N 3.3Å; K721-A723 PolarHBondContact O-N 3.3Å; K721-K724 PolarHBondContact O-N 3.22Å; K721-K724 VanDerWaalsContact O-N 3.16Å; K721-E725 WeakPolarHBondContact CE-OE1 3.49Å; K721-E725 IonicContact NZ-OE1 3.79Å; K721-E725 PolarHBondContact NZ-OE1 3.36Å; K721-E725 PolarHBondContact O-N 3.07Å
722Y96.9Very high93.8Very high3 Ų361.5 Ų61.51%0.01231%0.314CS..Hα-helixtrans-67.1-29.7-178.7-52.1-46000112.6Y601 R605 I606 D609 K718 L719 E725 W726Y601-Y722 WeakPolarHBondContact CE1-O 3.41Å; R605-Y722 HydrophobicContact CB-CD1 3.6Å; R605-Y722 HydrophobicContact CB-CD2 3.98Å; R605-Y722 HydrophobicContact CB-CE1 3.68Å; R605-Y722 HydrophobicContact CB-CE2 4.08Å; R605-Y722 HydrophobicContact CB-CG 3.78Å; R605-Y722 HydrophobicContact CG-CD1 3.99Å; R605-Y722 HydrophobicContact CG-CE1 4.45Å; R605-Y722 HydrophobicContact CG-CG 4.22Å; I606-Y722 HydrophobicContact CG1-CD2 4.43Å; I606-Y722 HydrophobicContact CG1-CE2 3.85Å; D609-Y722 VanDerWaalsContact CG-OH 3.3Å; D609-Y722 PolarHBondContact OD2-OH 2.89Å; K718-Y722 HydrophobicContact CB-CE2 3.86Å; K718-Y722 WeakPolarHBondContact O-CD2 3.27Å; K718-Y722 PolarHBondContact O-N 2.83Å; L719-Y722 PolarHBondContact O-N 3.26Å; Y722-E725 WeakPolarHBondContact O-CB 3.36Å; Y722-E725 PolarHBondContact O-N 3.08Å; Y722-W726 PolarHBondContact O-N 2.73Å
723A95.1Very high93.3Very high0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-64.2-43.2171.200000111.8H446 M598 L719 K721 W726 I727H446-A723 HydrophobicContact CB-CB 3.79Å; M598-A723 HydrophobicContact CG-CB 4.47Å; M598-A723 HydrophobicContact SD-CB 3.72Å; L719-A723 WeakPolarHBondContact O-CB 3.25Å; L719-A723 PolarHBondContact O-N 3.43Å; K721-A723 VanDerWaalsContact C-N 3.3Å; K721-A723 PolarHBondContact O-N 3.3Å; A723-W726 PolarHBondContact O-N 2.78Å; A723-I727 WeakPolarHBondContact O-CD1 3.5Å; A723-I727 VanDerWaalsContact O-CG1 3.28Å; A723-I727 WeakPolarHBondContact O-CG1 3.1Å; A723-I727 PolarHBondContact O-N 3.09Å
724K95.1Very high92.5Very high126 Ų12661.4 Ų61.455%0.54831%0.312SS..Hα-helixtrans-64.4-38.6173.6-70.3176.2-179.2-176.60111.9Q720 K721 T728Q720-K724 WeakPolarHBondContact O-CG 3.49Å; Q720-K724 PolarHBondContact O-N 2.64Å; Q720-K724 VanDerWaalsContact O-N 3.08Å; K721-K724 PolarHBondContact O-N 3.22Å; K721-K724 VanDerWaalsContact O-N 3.16Å; K724-T728 WeakPolarHBondContact O-CB 3.29Å; K724-T728 PolarHBondContact O-N 2.81Å; K724-T728 VanDerWaalsContact O-N 3.08Å; K724-T728 PolarHBondContact O-OG1 3.39Å
725E96.2Very high91.7Very high43 Ų4366.8 Ų66.820%0.20134%0.34CS..Hα-helixtrans-59.6-48.6171.2-70.2175.2-159.700111.3Y601 R605 K721 Y722 T728 K729Y601-E725 HydrophobicContact CE1-CB 3.89Å; Y601-E725 PolarHBondContact OH-OE2 3.34Å; R605-E725 IonicContact CZ-OE2 3.43Å; R605-E725 IonicContact NE-OE2 2.83Å; R605-E725 PolarHBondContact NE-OE2 2.83Å; R605-E725 IonicContact NH2-OE1 3.56Å; R605-E725 IonicContact NH2-OE2 3.3Å; R605-E725 PolarHBondContact NH2-OE2 2.73Å; K721-E725 WeakPolarHBondContact CE-OE1 3.49Å; K721-E725 IonicContact NZ-OE1 3.79Å; K721-E725 PolarHBondContact NZ-OE1 3.36Å; K721-E725 PolarHBondContact O-N 3.07Å; Y722-E725 WeakPolarHBondContact O-CB 3.36Å; Y722-E725 PolarHBondContact O-N 3.08Å; E725-T728 PolarHBondContact O-N 3.05Å; E725-K729 WeakPolarHBondContact O-CB 3.38Å; E725-K729 PolarHBondContact O-N 2.82Å
726W94.8Very high90.6Very high32 Ų3267.3 Ų67.312%0.12134%0.343CS..Hα-helixtrans-57.9-52177.1176-103.1000112.4D594 H597 M598 Y601 Y722 A723 T728 K729 R730D594-W726 PolarHBondContact OD1-NE1 3.31Å; D594-W726 VanDerWaalsContact OD1-NE1 3.09Å; H597-W726 HydrophobicContact CB-CH2 3.79Å; H597-W726 HydrophobicContact CB-CZ2 3.52Å; M598-W726 HydrophobicContact CB-CD2 4.45Å; M598-W726 HydrophobicContact CB-CG 3.98Å; M598-W726 HydrophobicContact CG-CB 4.15Å; M598-W726 HydrophobicContact CG-CG 3.95Å; Y601-W726 HydrophobicContact CD1-CB 3.83Å; Y601-W726 HydrophobicContact CD1-CE3 4.22Å; Y601-W726 AromaticContact CD2-CE3 3.98Å; Y601-W726 HydrophobicContact CD2-CE3 3.98Å; Y601-W726 HydrophobicContact CD2-CZ3 4.42Å; Y601-W726 HydrophobicContact CE1-CB 4.29Å; Y601-W726 HydrophobicContact CG-CB 4.42Å; Y601-W726 HydrophobicContact CG-CD2 4.47Å; Y601-W726 AromaticContact CG-CE3 3.64Å; Y601-W726 HydrophobicContact CG-CE3 3.64Å; Y601-W726 HydrophobicContact CG-CZ3 4.35Å; Y722-W726 PolarHBondContact O-N 2.73Å; A723-W726 PolarHBondContact O-N 2.78Å; W726-T728 VanDerWaalsContact C-N 3.27Å; W726-T728 PolarHBondContact O-N 3.07Å; W726-K729 PolarHBondContact O-N 3.23Å; W726-R730 WeakPolarHBondContact O-CB 3.3Å; W726-R730 PolarHBondContact O-N 2.83Å
727I92.7Very high89.5Confident79 Ų7970.9 Ų70.941%0.40536%0.355SS..Hα-helixtrans-60-40.4-178.6-67.8162.6000110.7H446 A723 A731H446-I727 VanDerWaalsContact CE1-CD1 3.4Å; H446-I727 WeakPolarHBondContact CE1-CD1 3.36Å; A723-I727 WeakPolarHBondContact O-CD1 3.5Å; A723-I727 VanDerWaalsContact O-CG1 3.28Å; A723-I727 WeakPolarHBondContact O-CG1 3.1Å; A723-I727 PolarHBondContact O-N 3.09Å; I727-A731 VanDerWaalsContact O-CB 3.25Å; I727-A731 WeakPolarHBondContact O-CB 3.45Å; I727-A731 PolarHBondContact O-N 2.77Å
728T93.8Very high88.2Confident76 Ų7669.5 Ų69.547%0.46634%0.342SS..Hα-helixtrans-65.5-47.2176.7-530000111.2K724 E725 W726 A731 Q732K724-T728 WeakPolarHBondContact O-CB 3.29Å; K724-T728 PolarHBondContact O-N 2.81Å; K724-T728 VanDerWaalsContact O-N 3.08Å; K724-T728 PolarHBondContact O-OG1 3.39Å; E725-T728 PolarHBondContact O-N 3.05Å; W726-T728 VanDerWaalsContact C-N 3.27Å; W726-T728 PolarHBondContact O-N 3.07Å; T728-A731 PolarHBondContact O-N 2.83Å; T728-Q732 WeakPolarHBondContact O-CG 2.98Å; T728-Q732 PolarHBondContact O-N 2.82Å
729K92Very high87.2Confident91 Ų9171.5 Ų71.540%0.39636%0.361SS..Hα-helixtrans-59.1-49.2176.3176.9179167.5179.40111.2E725 W726 A731 Q732 E733E725-K729 WeakPolarHBondContact O-CB 3.38Å; E725-K729 PolarHBondContact O-N 2.82Å; W726-K729 PolarHBondContact O-N 3.23Å; K729-A731 VanDerWaalsContact C-N 3.33Å; K729-A731 PolarHBondContact O-N 3.46Å; K729-Q732 WeakPolarHBondContact O-CB 3.25Å; K729-Q732 PolarHBondContact O-N 2.83Å; K729-Q732 VanDerWaalsContact O-N 3.15Å; K729-E733 WeakPolarHBondContact CE-OE1 3.29Å; K729-E733 IonicContact NZ-OE1 2.76Å; K729-E733 WeakPolarHBondContact O-CG 3.45Å; K729-E733 PolarHBondContact O-N 3.38Å
730R90Very high86.1Confident72 Ų7277 Ų7727%0.27239%0.39SS..Hα-helixtrans-70.2-28.7-177.4-162.361.5-176.8138.97.4112.7W726 E733 K734 E737W726-R730 WeakPolarHBondContact O-CB 3.3Å; W726-R730 PolarHBondContact O-N 2.83Å; R730-E733 WeakPolarHBondContact CD-OE2 3.37Å; R730-E733 IonicContact CZ-OE2 2.67Å; R730-E733 IonicContact NE-OE2 2.72Å; R730-E733 IonicContact NH1-OE2 3.48Å; R730-E733 PolarHBondContact NH1-OE2 3.39Å; R730-K734 WeakPolarHBondContact O-CB 3.38Å; R730-K734 VanDerWaalsContact O-CG 3.31Å; R730-K734 WeakPolarHBondContact O-CG 3.49Å; R730-K734 PolarHBondContact O-N 2.71Å; R730-E737 IonicContact NH1-OE1 2.75Å; R730-E737 IonicContact NH1-OE2 3.15Å; R730-E737 IonicContact NH2-OE2 3.55Å
731A87.9Confident85Confident57 Ų5777.6 Ų77.647%0.47139%0.392SS..Hα-helixtrans-68.8-39.2169.800000112.3I727 T728 K729 L735I727-A731 VanDerWaalsContact O-CB 3.25Å; I727-A731 WeakPolarHBondContact O-CB 3.45Å; I727-A731 PolarHBondContact O-N 2.77Å; T728-A731 PolarHBondContact O-N 2.83Å; K729-A731 VanDerWaalsContact C-N 3.33Å; K729-A731 PolarHBondContact O-N 3.46Å; A731-L735 WeakPolarHBondContact O-CB 3.5Å; A731-L735 PolarHBondContact O-N 2.79Å
732Q87.2Confident84.1Confident122 Ų12275.1 Ų75.157%0.5739%0.387SS*.Hα-helixtrans-65.6-44.4173.5-71.5170-11.700111.6T728 K729 L735 T736T728-Q732 WeakPolarHBondContact O-CG 2.98Å; T728-Q732 PolarHBondContact O-N 2.82Å; K729-Q732 WeakPolarHBondContact O-CB 3.25Å; K729-Q732 PolarHBondContact O-N 2.83Å; K729-Q732 VanDerWaalsContact O-N 3.15Å; Q732-L735 WeakPolarHBondContact O-CB 3.49Å; Q732-L735 PolarHBondContact O-N 3.46Å; Q732-L735 VanDerWaalsContact O-N 3.17Å; Q732-T736 PolarHBondContact O-N 3.25Å; Q732-T736 PolarHBondContact O-OG1 3.27Å; Q732-T736 VanDerWaalsContact O-OG1 3.12Å
733E84.5Confident83.3Confident52 Ų5279.9 Ų79.924%0.24341%0.41CS..Hα-helixtrans-58.5-50.4174.6-72.7171.2-179.700111.4K729 R730 L735 T736 E737K729-E733 WeakPolarHBondContact CE-OE1 3.29Å; K729-E733 IonicContact NZ-OE1 2.76Å; K729-E733 WeakPolarHBondContact O-CG 3.45Å; K729-E733 PolarHBondContact O-N 3.38Å; R730-E733 WeakPolarHBondContact CD-OE2 3.37Å; R730-E733 IonicContact CZ-OE2 2.67Å; R730-E733 IonicContact NE-OE2 2.72Å; R730-E733 IonicContact NH1-OE2 3.48Å; R730-E733 PolarHBondContact NH1-OE2 3.39Å; E733-L735 PolarHBondContact O-N 2.88Å; E733-T736 WeakPolarHBondContact CA-OG1 3.25Å; E733-T736 CarbonylContact O-C 3.6Å; E733-T736 PolarHBondContact O-N 2.95Å; E733-T736 PolarHBondContact O-OG1 2.78Å; E733-E737 WeakPolarHBondContact O-CB 3.32Å; E733-E737 WeakPolarHBondContact O-CG 3.29Å; E733-E737 PolarHBondContact O-N 2.74Å
734K78.5Confident82.6Confident123 Ų12385.5 Ų85.554%0.53544%0.437SS..Hα-helixtrans-60-31.4175.6-75.6176.8178.4178.60113.3R730 S738R730-K734 WeakPolarHBondContact O-CB 3.38Å; R730-K734 VanDerWaalsContact O-CG 3.31Å; R730-K734 WeakPolarHBondContact O-CG 3.49Å; R730-K734 PolarHBondContact O-N 2.71Å; K734-S738 PolarHBondContact O-N 3.25Å; K734-S738 VanDerWaalsContact O-N 3.14Å
735L76.9Confident82Confident120 Ų12082.4 Ų82.463%0.62843%0.43SS*.Hα-helixtrans-71.6-39.7174.4-174.464.5000111.6A731 Q732 E733 S738 H741A731-L735 WeakPolarHBondContact O-CB 3.5Å; A731-L735 PolarHBondContact O-N 2.79Å; Q732-L735 WeakPolarHBondContact O-CB 3.49Å; Q732-L735 PolarHBondContact O-N 3.46Å; Q732-L735 VanDerWaalsContact O-N 3.17Å; E733-L735 PolarHBondContact O-N 2.88Å; L735-S738 VanDerWaalsContact O-CB 3.26Å; L735-S738 WeakPolarHBondContact O-CB 3.31Å; L735-H741 WeakPolarHBondContact O-CB 3.43Å
736T73Confident81.4Confident81 Ų8185.9 Ų85.950%0.49745%0.446SS..Hα-helixtrans-75.3-32.4176.949.20000114Q732 E733 S738Q732-T736 PolarHBondContact O-N 3.25Å; Q732-T736 PolarHBondContact O-OG1 3.27Å; Q732-T736 VanDerWaalsContact O-OG1 3.12Å; E733-T736 WeakPolarHBondContact CA-OG1 3.25Å; E733-T736 CarbonylContact O-C 3.6Å; E733-T736 PolarHBondContact O-N 2.95Å; E733-T736 PolarHBondContact O-OG1 2.78Å; T736-S738 VanDerWaalsContact C-N 3.29Å
737E67.8Low81.1Confident116 Ų11688.4 Ų88.454%0.54246%0.462SS..SBendtrans-80-10174.5-69.6175.2170.400112.5R730 E733R730-E737 IonicContact NH1-OE1 2.75Å; R730-E737 IonicContact NH1-OE2 3.15Å; R730-E737 IonicContact NH2-OE2 3.55Å; E733-E737 WeakPolarHBondContact O-CB 3.32Å; E733-E737 WeakPolarHBondContact O-CG 3.29Å; E733-E737 PolarHBondContact O-N 2.74Å
738S68.1Low80.9Confident35 Ų3586.4 Ų86.425%0.24546%0.457CS..  trans-53.9127.3-179.3176.70000111K734 L735 T736 L740 H741 V742K734-S738 PolarHBondContact O-N 3.25Å; K734-S738 VanDerWaalsContact O-N 3.14Å; L735-S738 VanDerWaalsContact O-CB 3.26Å; L735-S738 WeakPolarHBondContact O-CB 3.31Å; T736-S738 VanDerWaalsContact C-N 3.29Å; S738-L740 PolarHBondContact O-N 3.4Å; S738-H741 PolarHBondContact O-N 3.17Å; S738-V742 PolarHBondContact O-N 3.38Å
739P73.3Confident80.8Confident104 Ų10485.9 Ų85.968%0.67546%0.457SS*.Hα-helixtrans-54.9-31.1178.7-28.735.6000113.5M743P739-M743 WeakPolarHBondContact O-CB 3.49Å; P739-M743 PolarHBondContact O-N 3.15Å
740L73.9Confident80.7Confident116 Ų11687 Ų8761%0.60747%0.466SS*.Hα-helixtrans-67.4-46.7172.9-70.6175.2000111.6S738 M743 E744S738-L740 PolarHBondContact O-N 3.4Å; L740-M743 CarbonylContact O-C 3.55Å; L740-M743 PolarHBondContact O-N 2.92Å; L740-E744 WeakPolarHBondContact O-CB 3.39Å; L740-E744 VanDerWaalsContact O-CG 3.27Å; L740-E744 WeakPolarHBondContact O-CG 3.47Å; L740-E744 PolarHBondContact O-N 2.94Å
741H71.8Confident80.8Confident66 Ų6691.8 Ų91.831%0.30649%0.485SS..Hα-helixtrans-67.7-40.7-179.9-17063000112.2L735 S738 M743 E744 C745L735-H741 WeakPolarHBondContact O-CB 3.43Å; S738-H741 PolarHBondContact O-N 3.17Å; H741-M743 VanDerWaalsContact C-N 3.31Å; H741-M743 PolarHBondContact O-N 3Å; H741-E744 IonicContact ND1-OE2 3.63Å; H741-E744 PolarHBondContact O-N 2.64Å; H741-C745 WeakPolarHBondContact O-CB 3.43Å; H741-C745 PolarHBondContact O-N 3.28Å; H741-C745 PolarHBondContact O-SG 3.35Å; H741-C745 VanDerWaalsContact O-SG 3.37Å
742V77.2Confident81Confident63 Ų6396.9 Ų96.938%0.38249%0.491SS..Hα-helixtrans-59.3-44.2172.9175.80000110.4S738 C745 Q746S738-V742 PolarHBondContact O-N 3.38Å; V742-C745 PolarHBondContact O-N 2.74Å; V742-Q746 WeakPolarHBondContact O-CB 3.47Å; V742-Q746 VanDerWaalsContact O-CG 3.31Å; V742-Q746 WeakPolarHBondContact O-CG 3.37Å; V742-Q746 PolarHBondContact O-N 3.07Å
743M79.8Confident81.2Confident103 Ų10395 Ų9551%0.50748%0.483SS..Hα-helixtrans-71.2-34.6178.2-171.2149.354.400112.8P739 L740 H741 Q746 L747P739-M743 WeakPolarHBondContact O-CB 3.49Å; P739-M743 PolarHBondContact O-N 3.15Å; L740-M743 CarbonylContact O-C 3.55Å; L740-M743 PolarHBondContact O-N 2.92Å; H741-M743 VanDerWaalsContact C-N 3.31Å; H741-M743 PolarHBondContact O-N 3Å; M743-Q746 PolarHBondContact O-N 2.79Å; M743-L747 HydrophobicContact CG-CD1 4.29Å; M743-L747 VanDerWaalsContact O-CB 3.3Å; M743-L747 WeakPolarHBondContact O-CB 3.48Å; M743-L747 WeakPolarHBondContact O-CG 3.45Å; M743-L747 PolarHBondContact O-N 2.92Å
744E80.5Confident81.5Confident119 Ų11996.1 Ų96.156%0.55649%0.493SS*.Hα-helixtrans-63.2-44.4170.3-77.4171172.400111.6L740 H741 L747 A748L740-E744 WeakPolarHBondContact O-CB 3.39Å; L740-E744 VanDerWaalsContact O-CG 3.27Å; L740-E744 WeakPolarHBondContact O-CG 3.47Å; L740-E744 PolarHBondContact O-N 2.94Å; H741-E744 IonicContact ND1-OE2 3.63Å; H741-E744 PolarHBondContact O-N 2.64Å; E744-L747 PolarHBondContact O-N 3.42Å; E744-A748 VanDerWaalsContact O-CB 3.26Å; E744-A748 WeakPolarHBondContact O-CB 3.41Å; E744-A748 PolarHBondContact O-N 2.87Å
745C82.1Confident82.2Confident61 Ų6193.5 Ų93.541%0.41249%0.49SS..Hα-helixtrans-63-42.1174.7-75.30000111.8H741 V742 A748 S749H741-C745 WeakPolarHBondContact O-CB 3.43Å; H741-C745 PolarHBondContact O-N 3.28Å; H741-C745 PolarHBondContact O-SG 3.35Å; H741-C745 VanDerWaalsContact O-SG 3.37Å; V742-C745 PolarHBondContact O-N 2.74Å; C745-A748 PolarHBondContact O-N 2.85Å; C745-S749 WeakPolarHBondContact O-CB 3.41Å; C745-S749 PolarHBondContact O-N 2.94Å
746Q84.6Confident83Confident115 Ų11593.3 Ų93.354%0.53748%0.481SS..Hα-helixtrans-63.7-46.3173.6-74.3176.72.800111.6V742 M743 A748 S749 L750V742-Q746 WeakPolarHBondContact O-CB 3.47Å; V742-Q746 VanDerWaalsContact O-CG 3.31Å; V742-Q746 WeakPolarHBondContact O-CG 3.37Å; V742-Q746 PolarHBondContact O-N 3.07Å; M743-Q746 PolarHBondContact O-N 2.79Å; Q746-A748 PolarHBondContact O-N 3.4Å; Q746-S749 WeakPolarHBondContact O-CB 3.28Å; Q746-S749 PolarHBondContact O-N 3.06Å; Q746-L750 WeakPolarHBondContact O-CB 3.23Å; Q746-L750 WeakPolarHBondContact O-CG 3.28Å; Q746-L750 PolarHBondContact O-N 3.35Å
747L86.6Confident83.9Confident85 Ų8593.5 Ų93.545%0.44548%0.478SS..Hα-helixtrans-62.1-40.3175.5-76169.9000112.1M743 E744 S749 R751M743-L747 HydrophobicContact CG-CD1 4.29Å; M743-L747 VanDerWaalsContact O-CB 3.3Å; M743-L747 WeakPolarHBondContact O-CB 3.48Å; M743-L747 WeakPolarHBondContact O-CG 3.45Å; M743-L747 PolarHBondContact O-N 2.92Å; E744-L747 PolarHBondContact O-N 3.42Å; L747-S749 VanDerWaalsContact C-N 3.35Å; L747-R751 VanDerWaalsContact O-CB 3.27Å; L747-R751 WeakPolarHBondContact O-CB 3.31Å; L747-R751 WeakPolarHBondContact O-CG 3.46Å; L747-R751 PolarHBondContact O-N 3.35Å
748A89.4Confident85.2Confident38 Ų3893.5 Ų93.531%0.31448%0.479SS..Hα-helixtrans-68.1-35175.900000112E744 C745 Q746 R752E744-A748 VanDerWaalsContact O-CB 3.26Å; E744-A748 WeakPolarHBondContact O-CB 3.41Å; E744-A748 PolarHBondContact O-N 2.87Å; C745-A748 PolarHBondContact O-N 2.85Å; Q746-A748 PolarHBondContact O-N 3.4Å; A748-R752 WeakPolarHBondContact O-CB 3.49Å; A748-R752 WeakPolarHBondContact O-CG 3.5Å; A748-R752 PolarHBondContact O-N 2.94Å
749S90.8Very high86.3Confident65 Ų6598 Ų9846%0.45550%0.495SS..Hα-helixtrans-67-49.4173.1-157.10000111.6C745 Q746 L747 R751 R752 E753C745-S749 WeakPolarHBondContact O-CB 3.41Å; C745-S749 PolarHBondContact O-N 2.94Å; Q746-S749 WeakPolarHBondContact O-CB 3.28Å; Q746-S749 PolarHBondContact O-N 3.06Å; L747-S749 VanDerWaalsContact C-N 3.35Å; S749-R751 PolarHBondContact O-N 2.56Å; S749-R752 PolarHBondContact O-N 2.7Å; S749-E753 PolarHBondContact O-N 2.68Å
750L90.5Very high87.2Confident113 Ų11397.3 Ų97.359%0.59248%0.483SS*.Hα-helixtrans-61.7-41176.5-72.2168.3000111.9Q746 E753 V754Q746-L750 WeakPolarHBondContact O-CB 3.23Å; Q746-L750 WeakPolarHBondContact O-CG 3.28Å; Q746-L750 PolarHBondContact O-N 3.35Å; L750-E753 PolarHBondContact O-N 2.83Å; L750-V754 WeakPolarHBondContact O-CB 2.99Å; L750-V754 VanDerWaalsContact O-CG2 3.27Å; L750-V754 WeakPolarHBondContact O-CG2 3.26Å; L750-V754 PolarHBondContact O-N 3.05Å
751R92.6Very high88.1Confident174 Ų17497 Ų9766%0.65748%0.482SS*.Hα-helixtrans-62.3-43.5174-76.1171.5-174.2-80.32.4112.1L747 S749 E753 V754 S755L747-R751 VanDerWaalsContact O-CB 3.27Å; L747-R751 WeakPolarHBondContact O-CB 3.31Å; L747-R751 WeakPolarHBondContact O-CG 3.46Å; L747-R751 PolarHBondContact O-N 3.35Å; S749-R751 PolarHBondContact O-N 2.56Å; R751-E753 VanDerWaalsContact C-N 3.34Å; R751-V754 PolarHBondContact O-N 3.45Å; R751-S755 PolarHBondContact O-N 3.29Å; R751-S755 PolarHBondContact O-OG 3.17Å
752R91.6Very high89.1Confident163 Ų16399.9 Ų99.962%0.61550%0.496SS*.Hα-helixtrans-61.4-42.6175-82.5-175.9-105.9104.3-2.4111.8A748 S749 R756A748-R752 WeakPolarHBondContact O-CB 3.49Å; A748-R752 WeakPolarHBondContact O-CG 3.5Å; A748-R752 PolarHBondContact O-N 2.94Å; S749-R752 PolarHBondContact O-N 2.7Å; R752-R756 WeakPolarHBondContact O-CB 3.25Å; R752-R756 PolarHBondContact O-N 3.32Å
753E90.9Very high89.7Confident84 Ų84100.2 Ų100.239%0.39350%0.501SS..Hα-helixtrans-70.6-38.8179-174.259.3-169.200112.4S749 L750 R751 R756 L757S749-E753 PolarHBondContact O-N 2.68Å; L750-E753 PolarHBondContact O-N 2.83Å; R751-E753 VanDerWaalsContact C-N 3.34Å; E753-R756 WeakPolarHBondContact O-CB 3.28Å; E753-R756 PolarHBondContact O-N 2.84Å; E753-R756 IonicContact OE1-CZ 3.64Å; E753-R756 IonicContact OE1-NE 3.36Å; E753-R756 PolarHBondContact OE1-NE 3.48Å; E753-R756 IonicContact OE1-NH2 3.58Å; E753-R756 PolarHBondContact OE1-NH2 2.84Å; E753-R756 IonicContact OE2-CZ 2.69Å; E753-R756 IonicContact OE2-NE 3.37Å; E753-R756 PolarHBondContact OE2-NE 3.07Å; E753-R756 IonicContact OE2-NH2 2.83Å; E753-L757 HydrophobicContact CG-CD1 4.12Å; E753-L757 WeakPolarHBondContact O-CB 3.44Å; E753-L757 VanDerWaalsContact O-CG 3.29Å; E753-L757 WeakPolarHBondContact O-CG 3.45Å; E753-L757 PolarHBondContact O-N 3.08Å
754V92.1Very high90.3Very high74 Ų74100.7 Ų100.745%0.44851%0.505SS..Hα-helixtrans-59.9-51.6171.9167.30000110.5L750 R751 R756 L757 E758L750-V754 WeakPolarHBondContact O-CB 2.99Å; L750-V754 VanDerWaalsContact O-CG2 3.27Å; L750-V754 WeakPolarHBondContact O-CG2 3.26Å; L750-V754 PolarHBondContact O-N 3.05Å; R751-V754 PolarHBondContact O-N 3.45Å; V754-R756 VanDerWaalsContact C-N 3.27Å; V754-R756 PolarHBondContact O-N 3.43Å; V754-L757 CarbonylContact O-C 3.56Å; V754-L757 PolarHBondContact O-N 3.06Å; V754-L757 VanDerWaalsContact O-N 3.13Å; V754-E758 HydrophobicContact CG1-CG 4.17Å; V754-E758 WeakPolarHBondContact O-CB 3.43Å; V754-E758 VanDerWaalsContact O-CG 3.29Å; V754-E758 WeakPolarHBondContact O-CG 3.49Å; V754-E758 PolarHBondContact O-N 3.26Å
755S91.9Very high90.9Very high69 Ų6997.5 Ų97.548%0.48350%0.499SS..Hα-helixtrans-65.2-29.6178.6-62.30000113.5R751 E758 H759R751-S755 PolarHBondContact O-N 3.29Å; R751-S755 PolarHBondContact O-OG 3.17Å; S755-E758 WeakPolarHBondContact CA-OE2 3.48Å; S755-H759 WeakPolarHBondContact O-CB 3.29Å; S755-H759 PolarHBondContact O-N 2.95Å; S755-H759 VanDerWaalsContact O-N 3.09Å
756R94.8Very high91.3Very high116 Ų11698.4 Ų98.444%0.43850%0.503SS..Hα-helixtrans-65.2-47.1171.3-167.6-164.569.467.11.8111.2R752 E753 V754 H759 E760R752-R756 WeakPolarHBondContact O-CB 3.25Å; R752-R756 PolarHBondContact O-N 3.32Å; E753-R756 WeakPolarHBondContact O-CB 3.28Å; E753-R756 PolarHBondContact O-N 2.84Å; E753-R756 IonicContact OE1-CZ 3.64Å; E753-R756 IonicContact OE1-NE 3.36Å; E753-R756 PolarHBondContact OE1-NE 3.48Å; E753-R756 IonicContact OE1-NH2 3.58Å; E753-R756 PolarHBondContact OE1-NH2 2.84Å; E753-R756 IonicContact OE2-CZ 2.69Å; E753-R756 IonicContact OE2-NE 3.37Å; E753-R756 PolarHBondContact OE2-NE 3.07Å; E753-R756 IonicContact OE2-NH2 2.83Å; V754-R756 VanDerWaalsContact C-N 3.27Å; V754-R756 PolarHBondContact O-N 3.43Å; R756-H759 PolarHBondContact O-N 2.92Å; R756-E760 IonicContact CZ-OE2 3.17Å; R756-E760 IonicContact NH1-OE2 2.75Å; R756-E760 PolarHBondContact NH1-OE2 3.43Å; R756-E760 IonicContact NH2-OE2 3.62Å; R756-E760 WeakPolarHBondContact O-CB 3.45Å; R756-E760 PolarHBondContact O-N 2.68Å
757L92.8Very high91.6Very high84 Ų8494.8 Ų94.844%0.4450%0.496SS..Hα-helixtrans-68.6-36.4178.3-72.5168.7000112.4E753 V754 E760 N761E753-L757 HydrophobicContact CG-CD1 4.12Å; E753-L757 WeakPolarHBondContact O-CB 3.44Å; E753-L757 VanDerWaalsContact O-CG 3.29Å; E753-L757 WeakPolarHBondContact O-CG 3.45Å; E753-L757 PolarHBondContact O-N 3.08Å; V754-L757 CarbonylContact O-C 3.56Å; V754-L757 PolarHBondContact O-N 3.06Å; V754-L757 VanDerWaalsContact O-N 3.13Å; L757-E760 PolarHBondContact O-N 3.05Å; L757-N761 WeakPolarHBondContact O-CB 3.28Å; L757-N761 PolarHBondContact O-N 3.21Å
758E93.1Very high91.9Very high117 Ų11796.6 Ų96.655%0.54751%0.506SS..Hα-helixtrans-61.6-47.4173.4-74.4170.715300110.7V754 S755 N761 E762V754-E758 HydrophobicContact CG1-CG 4.17Å; V754-E758 WeakPolarHBondContact O-CB 3.43Å; V754-E758 VanDerWaalsContact O-CG 3.29Å; V754-E758 WeakPolarHBondContact O-CG 3.49Å; V754-E758 PolarHBondContact O-N 3.26Å; S755-E758 WeakPolarHBondContact CA-OE2 3.48Å; E758-N761 PolarHBondContact O-N 3.44Å; E758-E762 WeakPolarHBondContact O-CB 3.35Å; E758-E762 PolarHBondContact O-N 3.1Å
759H92.4Very high92Very high129 Ų129100.2 Ų100.260%0.59752%0.519SS*.Hα-helixtrans-66.8-39.3177-173.861.6000112.8S755 R756 E762 S763S755-H759 WeakPolarHBondContact O-CB 3.29Å; S755-H759 PolarHBondContact O-N 2.95Å; S755-H759 VanDerWaalsContact O-N 3.09Å; R756-H759 PolarHBondContact O-N 2.92Å; H759-E762 PolarHBondContact O-N 2.81Å; H759-S763 VanDerWaalsContact O-CB 3.28Å; H759-S763 WeakPolarHBondContact O-CB 3.41Å; H759-S763 PolarHBondContact O-N 3.31Å
760E92Very high91.9Very high89 Ų89101 Ų10142%0.41653%0.525SS..Hα-helixtrans-62.5-43.2173.7-173.2172.5-174.500111.1R756 L757 S763 L764R756-E760 IonicContact CZ-OE2 3.17Å; R756-E760 IonicContact NH1-OE2 2.75Å; R756-E760 PolarHBondContact NH1-OE2 3.43Å; R756-E760 IonicContact NH2-OE2 3.62Å; R756-E760 WeakPolarHBondContact O-CB 3.45Å; R756-E760 PolarHBondContact O-N 2.68Å; L757-E760 PolarHBondContact O-N 3.05Å; E760-S763 PolarHBondContact O-N 3.43Å; E760-L764 HydrophobicContact CG-CD1 4.14Å; E760-L764 WeakPolarHBondContact O-CB 3.36Å; E760-L764 VanDerWaalsContact O-CG 3.23Å; E760-L764 WeakPolarHBondContact O-CG 3.49Å; E760-L764 PolarHBondContact O-N 2.78Å
761N92.4Very high91.9Very high111 Ų11198.6 Ų98.659%0.59452%0.518SS*.Hα-helixtrans-68.1-38.8177.3-167.725.1000112.4L757 E758 L764 A765L757-N761 WeakPolarHBondContact O-CB 3.28Å; L757-N761 PolarHBondContact O-N 3.21Å; E758-N761 PolarHBondContact O-N 3.44Å; N761-L764 PolarHBondContact O-N 2.8Å; N761-A765 WeakPolarHBondContact O-CB 3.48Å; N761-A765 PolarHBondContact O-N 2.93Å
762E92.7Very high91.9Very high125 Ų12596 Ų9658%0.58451%0.511SS*.Hα-helixtrans-64.6-43.1173.5-175.3177.4-153.900111.6E758 H759 A765 T766E758-E762 WeakPolarHBondContact O-CB 3.35Å; E758-E762 PolarHBondContact O-N 3.1Å; H759-E762 PolarHBondContact O-N 2.81Å; E762-A765 PolarHBondContact O-N 2.88Å; E762-T766 HydrophobicContact CG-CG2 4.47Å; E762-T766 WeakPolarHBondContact O-CB 3.46Å; E762-T766 WeakPolarHBondContact O-CG2 3.45Å; E762-T766 PolarHBondContact O-N 2.79Å; E762-T766 PolarHBondContact O-OG1 2.92Å
763S91.2Very high91.9Very high71 Ų7191.3 Ų91.350%0.49750%0.501SS..Hα-helixtrans-62.6-43.8175-174.10000111.9H759 E760 T766 G767H759-S763 VanDerWaalsContact O-CB 3.28Å; H759-S763 WeakPolarHBondContact O-CB 3.41Å; H759-S763 PolarHBondContact O-N 3.31Å; E760-S763 PolarHBondContact O-N 3.43Å; S763-T766 WeakPolarHBondContact CA-OG1 3.49Å; S763-T766 PolarHBondContact O-OG1 3.47Å; S763-T766 VanDerWaalsContact O-OG1 3.07Å; S763-G767 PolarHBondContact O-N 3.24Å
764L91.8Very high91.9Very high112 Ų11290.6 Ų90.659%0.58651%0.505SS*.Hα-helixtrans-66.3-41.3174.7-72.1170.2000112.2E760 N761 L768E760-L764 HydrophobicContact CG-CD1 4.14Å; E760-L764 WeakPolarHBondContact O-CB 3.36Å; E760-L764 VanDerWaalsContact O-CG 3.23Å; E760-L764 WeakPolarHBondContact O-CG 3.49Å; E760-L764 PolarHBondContact O-N 2.78Å; N761-L764 PolarHBondContact O-N 2.8Å; L764-L768 WeakPolarHBondContact O-CB 3.47Å; L764-L768 PolarHBondContact O-N 2.77Å
765A91.7Very high91.9Very high52 Ų5292.6 Ų92.643%0.4351%0.51SS..Hα-helixtrans-67.4-43.4178.800000112.1N761 E762 L768 L769N761-A765 WeakPolarHBondContact O-CB 3.48Å; N761-A765 PolarHBondContact O-N 2.93Å; E762-A765 PolarHBondContact O-N 2.88Å; A765-L768 PolarHBondContact O-N 3.08Å; A765-L769 VanDerWaalsContact O-CB 3.27Å; A765-L769 WeakPolarHBondContact O-CB 3.5Å; A765-L769 PolarHBondContact O-N 2.82Å
766T91Very high91.9Very high80 Ų8094 Ų9449%0.49151%0.509SS..Hα-helixtrans-67.6-40.5175.251.80000111.7E762 S763 L769 S770E762-T766 HydrophobicContact CG-CG2 4.47Å; E762-T766 WeakPolarHBondContact O-CB 3.46Å; E762-T766 WeakPolarHBondContact O-CG2 3.45Å; E762-T766 PolarHBondContact O-N 2.79Å; E762-T766 PolarHBondContact O-OG1 2.92Å; S763-T766 WeakPolarHBondContact CA-OG1 3.49Å; S763-T766 PolarHBondContact O-OG1 3.47Å; S763-T766 VanDerWaalsContact O-OG1 3.07Å; T766-L769 PolarHBondContact O-N 3.33Å; T766-S770 VanDerWaalsContact O-CB 3.23Å; T766-S770 WeakPolarHBondContact O-CB 3.46Å; T766-S770 PolarHBondContact O-N 3.08Å
767G91.6Very high91.7Very high39 Ų3994.3 Ų94.340%0.40251%0.514SS..Hα-helixtrans-60.2-4617200000112.8S763 S770 S771S763-G767 PolarHBondContact O-N 3.24Å; G767-S770 PolarHBondContact O-N 2.94Å; G767-S771 VanDerWaalsContact O-CB 3.29Å; G767-S771 WeakPolarHBondContact O-CB 3.38Å; G767-S771 PolarHBondContact O-N 2.88Å
768L92.5Very high91.7Very high124 Ų12495.5 Ų95.565%0.64952%0.517SS*.Hα-helixtrans-64.8-42.4176.2-175.468000111.8L764 A765 S771 K772L764-L768 WeakPolarHBondContact O-CB 3.47Å; L764-L768 PolarHBondContact O-N 2.77Å; A765-L768 PolarHBondContact O-N 3.08Å; L768-S771 PolarHBondContact O-N 3.2Å; L768-K772 WeakPolarHBondContact O-CB 3.48Å; L768-K772 PolarHBondContact O-N 3.49Å
769L91.7Very high91.6Very high113 Ų11392.9 Ų92.959%0.59251%0.509SS*.Hα-helixtrans-66.2-41.9177.8-171.370.1000111.6A765 T766 T773A765-L769 VanDerWaalsContact O-CB 3.27Å; A765-L769 WeakPolarHBondContact O-CB 3.5Å; A765-L769 PolarHBondContact O-N 2.82Å; T766-L769 PolarHBondContact O-N 3.33Å; L769-T773 VanDerWaalsContact O-CB 3.31Å; L769-T773 WeakPolarHBondContact O-CB 3.49Å; L769-T773 PolarHBondContact O-N 2.83Å; L769-T773 PolarHBondContact O-OG1 2.84Å
770S89.2Confident91.6Very high81 Ų8190.3 Ų90.357%0.56650%0.5SS*.Hα-helixtrans-62.4-48.5174.6-178.60000111.3T766 G767 T773 S774T766-S770 VanDerWaalsContact O-CB 3.23Å; T766-S770 WeakPolarHBondContact O-CB 3.46Å; T766-S770 PolarHBondContact O-N 3.08Å; G767-S770 PolarHBondContact O-N 2.94Å; S770-T773 PolarHBondContact O-N 3.33Å; S770-S774 WeakPolarHBondContact O-CB 3.36Å; S770-S774 PolarHBondContact O-N 2.88Å
771S90.7Very high91.6Very high64 Ų6493.1 Ų93.145%0.44851%0.506SS..Hα-helixtrans-59.8-48.4176-172.60000111.8G767 L768 T773 S774 M775G767-S771 VanDerWaalsContact O-CB 3.29Å; G767-S771 WeakPolarHBondContact O-CB 3.38Å; G767-S771 PolarHBondContact O-N 2.88Å; L768-S771 PolarHBondContact O-N 3.2Å; S771-T773 VanDerWaalsContact C-N 3.32Å; S771-T773 PolarHBondContact O-N 3.05Å; S771-S774 PolarHBondContact O-N 3.18Å; S771-M775 WeakPolarHBondContact O-CB 3.04Å; S771-M775 WeakPolarHBondContact O-CG 3.46Å; S771-M775 PolarHBondContact O-N 3.04Å
772K92.7Very high91.6Very high120 Ų12092.7 Ų92.752%0.52250%0.504SS..Hα-helixtrans-60-38.2175.4-178.2173.2179176.60112.5L768 H776L768-K772 WeakPolarHBondContact O-CB 3.48Å; L768-K772 PolarHBondContact O-N 3.49Å; K772-H776 PolarHBondContact O-N 2.75Å; K772-H776 PolarHBondContact O-ND1 2.8Å
773T90.7Very high91.6Very high64 Ų6492.7 Ų92.739%0.39350%0.503SS..Hα-helixtrans-71.6-39.2177.4-56.40000111.5L769 S770 S771 K777L769-T773 VanDerWaalsContact O-CB 3.31Å; L769-T773 WeakPolarHBondContact O-CB 3.49Å; L769-T773 PolarHBondContact O-N 2.83Å; L769-T773 PolarHBondContact O-OG1 2.84Å; S770-T773 PolarHBondContact O-N 3.33Å; S771-T773 VanDerWaalsContact C-N 3.32Å; S771-T773 PolarHBondContact O-N 3.05Å; T773-K777 WeakPolarHBondContact O-CG 3.17Å; T773-K777 PolarHBondContact O-N 2.78Å; T773-K777 VanDerWaalsContact O-N 3.09Å
774S91.6Very high91.6Very high68 Ų6893.7 Ų93.748%0.47650%0.504SS..Hα-helixtrans-65.2-41.9174.2-168.70000111.7S770 S771 K777 Q778S770-S774 WeakPolarHBondContact O-CB 3.36Å; S770-S774 PolarHBondContact O-N 2.88Å; S771-S774 PolarHBondContact O-N 3.18Å; S774-K777 PolarHBondContact O-N 2.81Å; S774-Q778 PolarHBondContact O-N 2.94Å
775M90.7Very high91.6Very high116 Ų11694.7 Ų94.757%0.57150%0.503SS*.Hα-helixtrans-63.4-47.1175-79.4-169.765.100112.4S771 K777 Q778 V779S771-M775 WeakPolarHBondContact O-CB 3.04Å; S771-M775 WeakPolarHBondContact O-CG 3.46Å; S771-M775 PolarHBondContact O-N 3.04Å; M775-K777 PolarHBondContact O-N 3.46Å; M775-Q778 CarbonylContact O-C 3.44Å; M775-Q778 WeakPolarHBondContact O-CA 3.26Å; M775-Q778 WeakPolarHBondContact O-CB 3.45Å; M775-Q778 PolarHBondContact O-N 3.18Å; M775-V779 WeakPolarHBondContact O-CG2 3.5Å; M775-V779 PolarHBondContact O-N 3.06Å
776H92.4Very high91.6Very high98 Ų9894.7 Ų94.745%0.45450%0.503SS..Hα-helixtrans-57.1-50.2174-74.8117.9000111.1K772 Q778 V779 D780K772-H776 PolarHBondContact O-N 2.75Å; K772-H776 PolarHBondContact O-ND1 2.8Å; H776-Q778 PolarHBondContact O-N 3.08Å; H776-V779 CarbonylContact O-C 3.59Å; H776-V779 WeakPolarHBondContact O-CA 3.26Å; H776-V779 WeakPolarHBondContact O-CB 3.33Å; H776-V779 PolarHBondContact O-N 3Å; H776-D780 PolarHBondContact O-N 3.04Å
777K91.7Very high91.7Very high124 Ų12495.7 Ų95.754%0.53950%0.502SS..Hα-helixtrans-56.7-24.2174.1-72.1177179-1780113.8T773 S774 M775 R781T773-K777 WeakPolarHBondContact O-CG 3.17Å; T773-K777 PolarHBondContact O-N 2.78Å; T773-K777 VanDerWaalsContact O-N 3.09Å; S774-K777 PolarHBondContact O-N 2.81Å; M775-K777 PolarHBondContact O-N 3.46Å; K777-R781 WeakPolarHBondContact O-CB 3.41Å; K777-R781 VanDerWaalsContact O-CG 3.3Å; K777-R781 WeakPolarHBondContact O-CG 3.47Å; K777-R781 PolarHBondContact O-NE 3.29Å
778Q91.8Very high91.7Very high109 Ų10997.8 Ų97.851%0.50950%0.503SS..Hα-helixtrans-83.4-37.1173.7-171.3172.98.600112.1S774 M775 H776 L782S774-Q778 PolarHBondContact O-N 2.94Å; M775-Q778 CarbonylContact O-C 3.44Å; M775-Q778 WeakPolarHBondContact O-CA 3.26Å; M775-Q778 WeakPolarHBondContact O-CB 3.45Å; M775-Q778 PolarHBondContact O-N 3.18Å; H776-Q778 PolarHBondContact O-N 3.08Å; Q778-L782 HydrophobicContact CG-CD1 4.23Å; Q778-L782 WeakPolarHBondContact O-CB 3.42Å; Q778-L782 VanDerWaalsContact O-CG 3.23Å; Q778-L782 WeakPolarHBondContact O-CG 3.44Å; Q778-L782 PolarHBondContact O-N 3.34Å; Q778-L782 VanDerWaalsContact O-N 3.08Å
779V91.7Very high91.6Very high61 Ų6197 Ų9737%0.3750%0.499SS..Hα-helixtrans-61.7-53.7171.2172.80000109.9M775 H776 R781 L782 E783M775-V779 WeakPolarHBondContact O-CG2 3.5Å; M775-V779 PolarHBondContact O-N 3.06Å; H776-V779 CarbonylContact O-C 3.59Å; H776-V779 WeakPolarHBondContact O-CA 3.26Å; H776-V779 WeakPolarHBondContact O-CB 3.33Å; H776-V779 PolarHBondContact O-N 3Å; V779-R781 VanDerWaalsContact C-N 3.3Å; V779-R781 PolarHBondContact O-N 3.08Å; V779-L782 CarbonylContact O-C 3.59Å; V779-L782 WeakPolarHBondContact O-CA 3.48Å; V779-L782 WeakPolarHBondContact O-CB 3.47Å; V779-L782 PolarHBondContact O-N 3.23Å; V779-E783 HydrophobicContact CG1-CG 4.13Å; V779-E783 WeakPolarHBondContact CG1-OE1 3.4Å; V779-E783 WeakPolarHBondContact O-CG 3.48Å; V779-E783 PolarHBondContact O-N 2.98Å
780D91.8Very high91.6Very high76 Ų7696 Ų9641%0.40650%0.498SS..Hα-helixtrans-50.8-49.7177.7-48.6-25.5000110.9H776 L782 E783 D784H776-D780 PolarHBondContact O-N 3.04Å; D780-L782 VanDerWaalsContact C-N 3.27Å; D780-L782 PolarHBondContact O-N 3Å; D780-E783 PolarHBondContact O-N 2.79Å; D780-D784 PolarHBondContact O-N 3.09Å
781R92.2Very high91.7Very high147 Ų14798.9 Ų98.956%0.55550%0.496SS*.Hα-helixtrans-67-20.4177.7-76.3-178.5-65.5175.20.1114.8K777 V779 K785K777-R781 WeakPolarHBondContact O-CB 3.41Å; K777-R781 VanDerWaalsContact O-CG 3.3Å; K777-R781 WeakPolarHBondContact O-CG 3.47Å; K777-R781 PolarHBondContact O-NE 3.29Å; V779-R781 VanDerWaalsContact C-N 3.3Å; V779-R781 PolarHBondContact O-N 3.08Å; R781-K785 WeakPolarHBondContact O-CD 3.34Å; R781-K785 VanDerWaalsContact O-CG 3.25Å; R781-K785 WeakPolarHBondContact O-CG 3.47Å
782L91.5Very high91.7Very high103 Ų103101.4 Ų101.454%0.53950%0.501SS..Hα-helixtrans-87.8-34.7173.8-74.8170.4000110.9Q778 V779 D780 K785 A786Q778-L782 HydrophobicContact CG-CD1 4.23Å; Q778-L782 WeakPolarHBondContact O-CB 3.42Å; Q778-L782 VanDerWaalsContact O-CG 3.23Å; Q778-L782 WeakPolarHBondContact O-CG 3.44Å; Q778-L782 PolarHBondContact O-N 3.34Å; Q778-L782 VanDerWaalsContact O-N 3.08Å; V779-L782 CarbonylContact O-C 3.59Å; V779-L782 WeakPolarHBondContact O-CA 3.48Å; V779-L782 WeakPolarHBondContact O-CB 3.47Å; V779-L782 PolarHBondContact O-N 3.23Å; D780-L782 VanDerWaalsContact C-N 3.27Å; D780-L782 PolarHBondContact O-N 3Å; L782-K785 PolarHBondContact O-N 2.93Å; L782-A786 WeakPolarHBondContact O-CB 3.49Å; L782-A786 PolarHBondContact O-N 3.23Å
783E92.7Very high91.7Very high124 Ų124101.7 Ų101.758%0.57951%0.508SS*.Hα-helixtrans-66.4-47.9173.3-69.8-178.9166.800110.8V779 D780 K785 A786 E787V779-E783 HydrophobicContact CG1-CG 4.13Å; V779-E783 WeakPolarHBondContact CG1-OE1 3.4Å; V779-E783 WeakPolarHBondContact O-CG 3.48Å; V779-E783 PolarHBondContact O-N 2.98Å; D780-E783 PolarHBondContact O-N 2.79Å; E783-K785 VanDerWaalsContact C-N 3.29Å; E783-K785 PolarHBondContact O-N 2.78Å; E783-A786 PolarHBondContact O-N 3.21Å; E783-A786 VanDerWaalsContact O-N 3.1Å; E783-E787 PolarHBondContact O-N 2.95Å
784D92.5Very high91.7Very high93 Ų93105.8 Ų105.850%0.49752%0.52SS..Hα-helixtrans-53.4-46.6172.2-73.1-23.5000111.5D780 E787 I788D780-D784 PolarHBondContact O-N 3.09Å; D784-E787 PolarHBondContact O-N 3.15Å; D784-I788 VanDerWaalsContact O-CG1 3.26Å; D784-I788 WeakPolarHBondContact O-CG1 3.5Å; D784-I788 PolarHBondContact O-N 3.38Å
785K92.1Very high91.7Very high133 Ų133104.8 Ų104.858%0.57852%0.516SS*.Hα-helixtrans-66.4-39.5178-78.9179.9179.4-171.80112.4R781 L782 E783 E787 L789R781-K785 WeakPolarHBondContact O-CD 3.34Å; R781-K785 VanDerWaalsContact O-CG 3.25Å; R781-K785 WeakPolarHBondContact O-CG 3.47Å; L782-K785 PolarHBondContact O-N 2.93Å; E783-K785 VanDerWaalsContact C-N 3.29Å; E783-K785 PolarHBondContact O-N 2.78Å; K785-E787 VanDerWaalsContact C-N 3.32Å; K785-L789 VanDerWaalsContact O-CB 3.31Å; K785-L789 WeakPolarHBondContact O-CB 3.34Å; K785-L789 VanDerWaalsContact O-CG 3.24Å; K785-L789 WeakPolarHBondContact O-CG 3.15Å; K785-L789 PolarHBondContact O-N 2.91Å
786A90.9Very high91.5Very high51 Ų51102.9 Ų102.942%0.42151%0.514SS..Hα-helixtrans-65.7-38175.900000111L782 E783 T790L782-A786 WeakPolarHBondContact O-CB 3.49Å; L782-A786 PolarHBondContact O-N 3.23Å; E783-A786 PolarHBondContact O-N 3.21Å; E783-A786 VanDerWaalsContact O-N 3.1Å; A786-T790 VanDerWaalsContact O-CB 3.25Å; A786-T790 WeakPolarHBondContact O-CB 3.26Å; A786-T790 PolarHBondContact O-N 3.02Å; A786-T790 PolarHBondContact O-OG1 2.85Å
787E92.3Very high91.5Very high101 Ų101107.4 Ų107.447%0.47253%0.527SS..Hα-helixtrans-67.3-45.2176.2-156.5-160.6-160.600111.6E783 D784 K785 T790 R791E783-E787 PolarHBondContact O-N 2.95Å; D784-E787 PolarHBondContact O-N 3.15Å; K785-E787 VanDerWaalsContact C-N 3.32Å; E787-T790 PolarHBondContact O-N 2.81Å; E787-R791 VanDerWaalsContact CD-CZ 3.42Å; E787-R791 PolarHBondContact O-N 3.42Å; E787-R791 IonicContact OE1-CZ 2.67Å; E787-R791 IonicContact OE1-NH1 2.66Å; E787-R791 IonicContact OE1-NH2 3.35Å; E787-R791 PolarHBondContact OE1-NH2 3.39Å; E787-R791 IonicContact OE2-CZ 3.7Å; E787-R791 VanDerWaalsContact OE2-CZ 3.31Å; E787-R791 IonicContact OE2-NH1 3.73Å; E787-R791 PolarHBondContact OE2-NH1 3.18Å; E787-R791 IonicContact OE2-NH2 3.63Å; E787-R791 PolarHBondContact OE2-NH2 3.23Å; E787-R791 VanDerWaalsContact OE2-NH2 3.11Å
788I91.9Very high91.5Very high83 Ų83105.7 Ų105.743%0.42652%0.521SS..Hα-helixtrans-59.4-52.7174.2-68.5163.7000110.6D784 T790 R791 E792D784-I788 VanDerWaalsContact O-CG1 3.26Å; D784-I788 WeakPolarHBondContact O-CG1 3.5Å; D784-I788 PolarHBondContact O-N 3.38Å; I788-T790 PolarHBondContact O-N 2.97Å; I788-R791 WeakPolarHBondContact O-CB 3.08Å; I788-R791 PolarHBondContact O-N 3.09Å; I788-E792 HydrophobicContact CG2-CG 4.38Å; I788-E792 WeakPolarHBondContact O-CG 3.38Å; I788-E792 PolarHBondContact O-N 3.38Å
789L90.9Very high91.4Very high109 Ų109105.3 Ų105.357%0.57152%0.523SS*.Hα-helixtrans-61-31.7178.1-73168.9000112.2K785 L793K785-L789 VanDerWaalsContact O-CB 3.31Å; K785-L789 WeakPolarHBondContact O-CB 3.34Å; K785-L789 VanDerWaalsContact O-CG 3.24Å; K785-L789 WeakPolarHBondContact O-CG 3.15Å; K785-L789 PolarHBondContact O-N 2.91Å; L789-L793 WeakPolarHBondContact O-CB 3.33Å; L789-L793 PolarHBondContact O-N 3.41Å
790T92.1Very high91.4Very high92 Ų92108.9 Ų108.956%0.56453%0.534SS*.Hα-helixtrans-70-39.7174.8-60.30000111.5A786 E787 I788 F794A786-T790 VanDerWaalsContact O-CB 3.25Å; A786-T790 WeakPolarHBondContact O-CB 3.26Å; A786-T790 PolarHBondContact O-N 3.02Å; A786-T790 PolarHBondContact O-OG1 2.85Å; E787-T790 PolarHBondContact O-N 2.81Å; I788-T790 PolarHBondContact O-N 2.97Å; T790-F794 WeakPolarHBondContact O-CB 3.31Å; T790-F794 PolarHBondContact O-N 3.37Å
791R91Very high91.3Very high141 Ų141109.3 Ų109.353%0.53253%0.533SS..Hα-helixtrans-65.1-45.7172.6-70.8-173.5-17799.45.6111.7E787 I788 F794 A795E787-R791 VanDerWaalsContact CD-CZ 3.42Å; E787-R791 PolarHBondContact O-N 3.42Å; E787-R791 IonicContact OE1-CZ 2.67Å; E787-R791 IonicContact OE1-NH1 2.66Å; E787-R791 IonicContact OE1-NH2 3.35Å; E787-R791 PolarHBondContact OE1-NH2 3.39Å; E787-R791 IonicContact OE2-CZ 3.7Å; E787-R791 VanDerWaalsContact OE2-CZ 3.31Å; E787-R791 IonicContact OE2-NH1 3.73Å; E787-R791 PolarHBondContact OE2-NH1 3.18Å; E787-R791 IonicContact OE2-NH2 3.63Å; E787-R791 PolarHBondContact OE2-NH2 3.23Å; E787-R791 VanDerWaalsContact OE2-NH2 3.11Å; I788-R791 WeakPolarHBondContact O-CB 3.08Å; I788-R791 PolarHBondContact O-N 3.09Å; R791-F794 PolarHBondContact O-N 3.27Å; R791-A795 WeakPolarHBondContact O-CB 3.48Å; R791-A795 PolarHBondContact O-N 3.31Å
792E91.4Very high91.2Very high117 Ų117106 Ų10655%0.54753%0.527SS..Hα-helixtrans-62.5-42.2177.2-71.1177.5170.600111.8I788 F794 A795 S796I788-E792 HydrophobicContact CG2-CG 4.38Å; I788-E792 WeakPolarHBondContact O-CG 3.38Å; I788-E792 PolarHBondContact O-N 3.38Å; E792-F794 VanDerWaalsContact C-N 3.34Å; E792-F794 PolarHBondContact O-N 2.89Å; E792-A795 PolarHBondContact O-N 3.07Å; E792-S796 VanDerWaalsContact O-CB 3.3Å; E792-S796 WeakPolarHBondContact O-CB 3.44Å; E792-S796 PolarHBondContact O-N 2.94Å
793L91.3Very high91.1Very high126 Ų126103.5 Ų103.566%0.6652%0.521SS*.Hα-helixtrans-61.5-41.4173.8-175.477.6000111.6L789 R797L789-L793 WeakPolarHBondContact O-CB 3.33Å; L789-L793 PolarHBondContact O-N 3.41Å; L793-R797 WeakPolarHBondContact O-CB 3.47Å; L793-R797 PolarHBondContact O-N 2.96Å
794F91Very high91Very high149 Ų149101.2 Ų101.265%0.65451%0.512SS*.Hα-helixtrans-68-44.1178.4-167.1-87000111.7T790 R791 E792 R797 Q798T790-F794 WeakPolarHBondContact O-CB 3.31Å; T790-F794 PolarHBondContact O-N 3.37Å; R791-F794 PolarHBondContact O-N 3.27Å; E792-F794 VanDerWaalsContact C-N 3.34Å; E792-F794 PolarHBondContact O-N 2.89Å; F794-R797 PolarHBondContact O-N 2.76Å; F794-Q798 PolarHBondContact O-N 3.38Å
795A91Very high90.9Very high48 Ų48102.2 Ų102.240%0.39751%0.513SS..Hα-helixtrans-60.7-52.917500000111.4R791 E792 R797 Q798 D799R791-A795 WeakPolarHBondContact O-CB 3.48Å; R791-A795 PolarHBondContact O-N 3.31Å; E792-A795 PolarHBondContact O-N 3.07Å; A795-R797 PolarHBondContact O-N 3.36Å; A795-Q798 CarbonylContact O-C 3.59Å; A795-Q798 WeakPolarHBondContact O-CA 3.16Å; A795-Q798 WeakPolarHBondContact O-CB 3.15Å; A795-Q798 PolarHBondContact O-N 3.37Å; A795-D799 VanDerWaalsContact O-CG 3.31Å; A795-D799 PolarHBondContact O-N 3.42Å
796S87.8Confident90.7Very high75 Ų75101.9 Ų101.952%0.52451%0.514SS..Hα-helixtrans-60.7-30.8178.1179.30000112.9E792 F800E792-S796 VanDerWaalsContact O-CB 3.3Å; E792-S796 WeakPolarHBondContact O-CB 3.44Å; E792-S796 PolarHBondContact O-N 2.94Å; S796-F800 VanDerWaalsContact O-CB 3.24Å; S796-F800 WeakPolarHBondContact O-CB 3.3Å; S796-F800 PolarHBondContact O-N 2.92Å
797R91.3Very high90.6Very high193 Ų193104.4 Ų104.473%0.72852%0.515SS*.Hα-helixtrans-72.9-33.9173.5-175.9174.8-179.6167.20.7112.7L793 F794 A795 Q801L793-R797 WeakPolarHBondContact O-CB 3.47Å; L793-R797 PolarHBondContact O-N 2.96Å; F794-R797 PolarHBondContact O-N 2.76Å; A795-R797 PolarHBondContact O-N 3.36Å; R797-Q801 WeakPolarHBondContact O-CB 3.37Å; R797-Q801 PolarHBondContact O-N 3.17Å; R797-Q801 VanDerWaalsContact O-N 3.1Å
798Q91.7Very high90.5Very high88 Ų88102.2 Ų102.241%0.41151%0.514SS..Hα-helixtrans-68.9-50.3171.7-172.66449.300110.3F794 A795 F800 Q801 D802F794-Q798 PolarHBondContact O-N 3.38Å; A795-Q798 CarbonylContact O-C 3.59Å; A795-Q798 WeakPolarHBondContact O-CA 3.16Å; A795-Q798 WeakPolarHBondContact O-CB 3.15Å; A795-Q798 PolarHBondContact O-N 3.37Å; Q798-F800 PolarHBondContact O-N 3.41Å; Q798-Q801 WeakPolarHBondContact O-CA 3.46Å; Q798-Q801 WeakPolarHBondContact O-CB 3.32Å; Q798-Q801 PolarHBondContact O-N 2.87Å; Q798-D802 PolarHBondContact NE2-OD1 2.98Å; Q798-D802 PolarHBondContact O-N 3.41Å
799D91Very high90.3Very high102 Ų102103.7 Ų103.755%0.54552%0.52SS..Hα-helixtrans-55.6-39.4177-60.3-23.7000111.7A795 A803A795-D799 VanDerWaalsContact O-CG 3.31Å; A795-D799 PolarHBondContact O-N 3.42Å; D799-A803 VanDerWaalsContact O-CB 3.27Å; D799-A803 WeakPolarHBondContact O-CB 3.48Å; D799-A803 PolarHBondContact O-N 3.12Å
800F90.1Very high90.1Very high136 Ų136102.6 Ų102.660%0.59651%0.514SS*.Hα-helixtrans-69.3-35175.4-177.5-100.9000113.2S796 Q798 L804S796-F800 VanDerWaalsContact O-CB 3.24Å; S796-F800 WeakPolarHBondContact O-CB 3.3Å; S796-F800 PolarHBondContact O-N 2.92Å; Q798-F800 PolarHBondContact O-N 3.41Å; F800-L804 HydrophobicContact CD1-CD1 3.97Å; F800-L804 HydrophobicContact CD1-CG 4.45Å; F800-L804 HydrophobicContact CE1-CD1 3.5Å; F800-L804 VanDerWaalsContact CE1-CD1 3.5Å; F800-L804 HydrophobicContact CE1-CG 4.1Å; F800-L804 HydrophobicContact CZ-CD1 4.04Å; F800-L804 HydrophobicContact CZ-CD2 4.48Å; F800-L804 HydrophobicContact CZ-CG 4.25Å; F800-L804 WeakPolarHBondContact O-CG 3.45Å; F800-L804 PolarHBondContact O-N 2.88Å
801Q90.7Very high89.8Confident85 Ų85103.4 Ų103.440%0.39751%0.511SS..Hα-helixtrans-68.1-46.2174.4-179.961.633.100110.6R797 Q798 A803 L804 E805R797-Q801 WeakPolarHBondContact O-CB 3.37Å; R797-Q801 PolarHBondContact O-N 3.17Å; R797-Q801 VanDerWaalsContact O-N 3.1Å; Q798-Q801 WeakPolarHBondContact O-CA 3.46Å; Q798-Q801 WeakPolarHBondContact O-CB 3.32Å; Q798-Q801 PolarHBondContact O-N 2.87Å; Q801-A803 VanDerWaalsContact C-N 3.33Å; Q801-A803 PolarHBondContact O-N 2.7Å; Q801-L804 WeakPolarHBondContact O-CB 3.38Å; Q801-L804 PolarHBondContact O-N 3.06Å; Q801-L804 VanDerWaalsContact O-N 3.1Å; Q801-E805 PolarHBondContact NE2-OE1 3.1Å; Q801-E805 PolarHBondContact O-N 2.76Å
802D91Very high89.6Confident78 Ų78101 Ų10142%0.41751%0.509SS..Hα-helixtrans-60.9-42.6177.3-63.9-2.7000110.6Q798 L804 E805 E806Q798-D802 PolarHBondContact NE2-OD1 2.98Å; Q798-D802 PolarHBondContact O-N 3.41Å; D802-L804 PolarHBondContact O-N 2.71Å; D802-E805 PolarHBondContact O-N 2.77Å; D802-E806 PolarHBondContact O-N 3.39Å
803A88.4Confident89.4Confident50 Ų5099.6 Ų99.641%0.41350%0.502SS..Hα-helixtrans-66.5-30.8174.500000113.7D799 Q801 K807D799-A803 VanDerWaalsContact O-CB 3.27Å; D799-A803 WeakPolarHBondContact O-CB 3.48Å; D799-A803 PolarHBondContact O-N 3.12Å; Q801-A803 VanDerWaalsContact C-N 3.33Å; Q801-A803 PolarHBondContact O-N 2.7Å; A803-K807 VanDerWaalsContact O-CB 3.24Å; A803-K807 WeakPolarHBondContact O-CB 3.33Å; A803-K807 PolarHBondContact O-N 2.77Å
804L90.4Very high89.1Confident75 Ų7597.1 Ų97.139%0.39349%0.492SS..Hα-helixtrans-69.9-36.9171.5-80.3176.9000111.9F800 Q801 D802 A808F800-L804 HydrophobicContact CD1-CD1 3.97Å; F800-L804 HydrophobicContact CD1-CG 4.45Å; F800-L804 HydrophobicContact CE1-CD1 3.5Å; F800-L804 VanDerWaalsContact CE1-CD1 3.5Å; F800-L804 HydrophobicContact CE1-CG 4.1Å; F800-L804 HydrophobicContact CZ-CD1 4.04Å; F800-L804 HydrophobicContact CZ-CD2 4.48Å; F800-L804 HydrophobicContact CZ-CG 4.25Å; F800-L804 WeakPolarHBondContact O-CG 3.45Å; F800-L804 PolarHBondContact O-N 2.88Å; Q801-L804 WeakPolarHBondContact O-CB 3.38Å; Q801-L804 PolarHBondContact O-N 3.06Å; Q801-L804 VanDerWaalsContact O-N 3.1Å; D802-L804 PolarHBondContact O-N 2.71Å; L804-A808 WeakPolarHBondContact O-CB 3.31Å; L804-A808 PolarHBondContact O-N 3.26Å
805E90Very high88.8Confident114 Ų11495 Ų9553%0.53349%0.487SS..Hα-helixtrans-70.9-42.2176.5-70.6178.9-157.900111.5Q801 D802 A808 H809Q801-E805 PolarHBondContact NE2-OE1 3.1Å; Q801-E805 PolarHBondContact O-N 2.76Å; D802-E805 PolarHBondContact O-N 2.77Å; E805-A808 PolarHBondContact O-N 3.44Å; E805-H809 PolarHBondContact O-N 3.02Å
806E89.4Confident88.4Confident127 Ų12798.1 Ų98.159%0.59349%0.494SS*.Hα-helixtrans-61-44.9171.1-172.8-178.1-170.500111.3D802 A808 H809 L810D802-E806 PolarHBondContact O-N 3.39Å; E806-A808 VanDerWaalsContact C-N 3.3Å; E806-A808 PolarHBondContact O-N 2.79Å; E806-H809 WeakPolarHBondContact O-CB 3.36Å; E806-H809 PolarHBondContact O-N 3.49Å; E806-L810 HydrophobicContact CG-CD1 4.05Å; E806-L810 HydrophobicContact CG-CG 4.46Å; E806-L810 WeakPolarHBondContact O-CG 3.27Å; E806-L810 PolarHBondContact O-N 2.92Å
807K88.6Confident88.1Confident103 Ų10398.4 Ų98.445%0.44849%0.492SS..Hα-helixtrans-57-44173.7177.1-176.4176-76.50111.6A803 H809 L810 E811A803-K807 VanDerWaalsContact O-CB 3.24Å; A803-K807 WeakPolarHBondContact O-CB 3.33Å; A803-K807 PolarHBondContact O-N 2.77Å; K807-H809 VanDerWaalsContact C-N 3.35Å; K807-L810 PolarHBondContact O-N 2.8Å; K807-E811 WeakPolarHBondContact CE-OE1 3.4Å; K807-E811 HydrophobicContact CG-CG 4.46Å; K807-E811 IonicContact NZ-OE1 3.35Å; K807-E811 PolarHBondContact NZ-OE1 2.83Å; K807-E811 IonicContact NZ-OE2 2.69Å; K807-E811 PolarHBondContact NZ-OE2 2.85Å; K807-E811 WeakPolarHBondContact O-CB 3.23Å; K807-E811 WeakPolarHBondContact O-CG 3.38Å; K807-E811 PolarHBondContact O-N 2.76Å
808A89.1Confident87.7Confident55 Ų5594.9 Ų94.946%0.45548%0.482SS..Hα-helixtrans-66.1-36.7178.400000112.3L804 E805 E806 N812L804-A808 WeakPolarHBondContact O-CB 3.31Å; L804-A808 PolarHBondContact O-N 3.26Å; E805-A808 PolarHBondContact O-N 3.44Å; E806-A808 VanDerWaalsContact C-N 3.3Å; E806-A808 PolarHBondContact O-N 2.79Å; A808-N812 WeakPolarHBondContact O-CB 3.17Å; A808-N812 PolarHBondContact O-N 3.26Å; A808-N812 VanDerWaalsContact O-N 3.14Å
809H88.3Confident87.2Confident115 Ų11597.7 Ų97.753%0.53249%0.493SS..Hα-helixtrans-61.4-52.5172-170.5-79.4000111.2E805 E806 K807 E811 N812 E813E805-H809 PolarHBondContact O-N 3.02Å; E806-H809 WeakPolarHBondContact O-CB 3.36Å; E806-H809 PolarHBondContact O-N 3.49Å; K807-H809 VanDerWaalsContact C-N 3.35Å; H809-E811 PolarHBondContact O-N 3.45Å; H809-N812 WeakPolarHBondContact O-CA 3.48Å; H809-N812 WeakPolarHBondContact O-CB 3.42Å; H809-N812 PolarHBondContact O-N 2.89Å; H809-N812 VanDerWaalsContact O-N 3.07Å; H809-E813 IonicContact CE1-OE1 2.79Å; H809-E813 IonicContact CE1-OE2 2.8Å; H809-E813 PolarHBondContact CE1-OE2 3.04Å; H809-E813 VanDerWaalsContact CE1-OE2 3.29Å; H809-E813 IonicContact ND1-OE2 3.82Å; H809-E813 PolarHBondContact ND1-OE2 2.69Å; H809-E813 PolarHBondContact O-N 3.49Å
810L86.8Confident86.7Confident86 Ų8699.4 Ų99.445%0.4550%0.499SS..Hα-helixtrans-62.3-38.4179.4-69.7170.2000112.4E806 K807 N812 E813 V814E806-L810 HydrophobicContact CG-CD1 4.05Å; E806-L810 HydrophobicContact CG-CG 4.46Å; E806-L810 WeakPolarHBondContact O-CG 3.27Å; E806-L810 PolarHBondContact O-N 2.92Å; K807-L810 PolarHBondContact O-N 2.8Å; L810-N812 VanDerWaalsContact C-N 3.3Å; L810-N812 PolarHBondContact O-N 3.43Å; L810-E813 PolarHBondContact O-N 3.3Å; L810-V814 WeakPolarHBondContact O-CB 3.5Å; L810-V814 VanDerWaalsContact O-CG2 3.25Å; L810-V814 WeakPolarHBondContact O-CG2 3.42Å; L810-V814 PolarHBondContact O-N 2.86Å
811E86.4Confident86.2Confident109 Ų10999.6 Ų99.651%0.50950%0.5SS..Hα-helixtrans-62.6-36.7173.6-79.5179.2150.700111.9K807 H809 L815K807-E811 WeakPolarHBondContact CE-OE1 3.4Å; K807-E811 HydrophobicContact CG-CG 4.46Å; K807-E811 IonicContact NZ-OE1 3.35Å; K807-E811 PolarHBondContact NZ-OE1 2.83Å; K807-E811 IonicContact NZ-OE2 2.69Å; K807-E811 PolarHBondContact NZ-OE2 2.85Å; K807-E811 WeakPolarHBondContact O-CB 3.23Å; K807-E811 WeakPolarHBondContact O-CG 3.38Å; K807-E811 PolarHBondContact O-N 2.76Å; H809-E811 PolarHBondContact O-N 3.45Å; E811-L815 WeakPolarHBondContact O-CB 3.21Å; E811-L815 PolarHBondContact O-N 3.35Å
812N86.7Confident85.8Confident89 Ų89102.3 Ų102.348%0.47651%0.506SS..Hα-helixtrans-72.6-42.2175.9-166.26.2000112.1A808 H809 L810 L815 Q816A808-N812 WeakPolarHBondContact O-CB 3.17Å; A808-N812 PolarHBondContact O-N 3.26Å; A808-N812 VanDerWaalsContact O-N 3.14Å; H809-N812 WeakPolarHBondContact O-CA 3.48Å; H809-N812 WeakPolarHBondContact O-CB 3.42Å; H809-N812 PolarHBondContact O-N 2.89Å; H809-N812 VanDerWaalsContact O-N 3.07Å; L810-N812 VanDerWaalsContact C-N 3.3Å; L810-N812 PolarHBondContact O-N 3.43Å; N812-L815 WeakPolarHBondContact O-CB 3.3Å; N812-L815 PolarHBondContact O-N 3.14Å; N812-L815 VanDerWaalsContact O-N 3.15Å; N812-Q816 WeakPolarHBondContact O-CG 3.42Å; N812-Q816 PolarHBondContact O-N 2.88Å
813E85.5Confident85.2Confident89 Ų89101.2 Ų101.242%0.41651%0.505SS..Hα-helixtrans-61.8-44.9173-73.2-175.1116.700111.7H809 L810 L815 Q816 V817H809-E813 IonicContact CE1-OE1 2.79Å; H809-E813 IonicContact CE1-OE2 2.8Å; H809-E813 PolarHBondContact CE1-OE2 3.04Å; H809-E813 VanDerWaalsContact CE1-OE2 3.29Å; H809-E813 IonicContact ND1-OE2 3.82Å; H809-E813 PolarHBondContact ND1-OE2 2.69Å; H809-E813 PolarHBondContact O-N 3.49Å; L810-E813 PolarHBondContact O-N 3.3Å; E813-L815 PolarHBondContact O-N 2.97Å; E813-Q816 PolarHBondContact O-N 3Å; E813-Q816 VanDerWaalsContact O-N 3.12Å; E813-V817 WeakPolarHBondContact O-CG2 3.41Å; E813-V817 PolarHBondContact O-N 2.93Å
814V85.1Confident84.7Confident73 Ų73101.3 Ų101.344%0.44251%0.506SS..Hα-helixtrans-60.5-35.2173.6167.90000111.2L810 K818L810-V814 WeakPolarHBondContact O-CB 3.5Å; L810-V814 VanDerWaalsContact O-CG2 3.25Å; L810-V814 WeakPolarHBondContact O-CG2 3.42Å; L810-V814 PolarHBondContact O-N 2.86Å; V814-K818 HydrophobicContact CG1-CD 3.97Å; V814-K818 HydrophobicContact CG1-CG 4.46Å; V814-K818 VanDerWaalsContact O-CB 3.27Å; V814-K818 WeakPolarHBondContact O-CB 3.49Å; V814-K818 WeakPolarHBondContact O-CG 3.45Å; V814-K818 PolarHBondContact O-N 3.01Å
815L84.7Confident84.1Confident106 Ų106103 Ų10356%0.55551%0.514SS*.Hα-helixtrans-67.5-41.1174.6-165.772.3000111.9E811 N812 E813 K819E811-L815 WeakPolarHBondContact O-CB 3.21Å; E811-L815 PolarHBondContact O-N 3.35Å; N812-L815 WeakPolarHBondContact O-CB 3.3Å; N812-L815 PolarHBondContact O-N 3.14Å; N812-L815 VanDerWaalsContact O-N 3.15Å; E813-L815 PolarHBondContact O-N 2.97Å; L815-K819 WeakPolarHBondContact O-CB 3.42Å; L815-K819 PolarHBondContact O-N 3.01Å
816Q83.8Confident83.6Confident113 Ų113103.9 Ų103.953%0.52852%0.519SS..Hα-helixtrans-64.5-49.3174.6-70.3-178.647.100111.5N812 E813 K818 K819 M820N812-Q816 WeakPolarHBondContact O-CG 3.42Å; N812-Q816 PolarHBondContact O-N 2.88Å; E813-Q816 PolarHBondContact O-N 3Å; E813-Q816 VanDerWaalsContact O-N 3.12Å; Q816-K818 VanDerWaalsContact C-N 3.33Å; Q816-K818 PolarHBondContact O-N 2.79Å; Q816-K819 CarbonylContact O-C 3.57Å; Q816-K819 WeakPolarHBondContact O-CA 3.43Å; Q816-K819 WeakPolarHBondContact O-CB 3.35Å; Q816-K819 PolarHBondContact O-N 3.25Å; Q816-M820 PolarHBondContact O-N 2.82Å
817V81.3Confident83.1Confident80 Ų80104.4 Ų104.449%0.48552%0.521SS..Hα-helixtrans-58.7-43.7176173.30000110.8E813 K819 M820 F821E813-V817 WeakPolarHBondContact O-CG2 3.41Å; E813-V817 PolarHBondContact O-N 2.93Å; V817-K819 VanDerWaalsContact C-N 3.26Å; V817-K819 PolarHBondContact O-N 3.08Å; V817-M820 PolarHBondContact O-N 2.98Å; V817-F821 HydrophobicContact CG1-CD2 4.39Å; V817-F821 WeakPolarHBondContact O-CB 3.47Å; V817-F821 PolarHBondContact O-N 3.28Å
818K82.4Confident82.6Confident119 Ų119104.2 Ų104.252%0.51753%0.525SS..Hα-helixtrans-62.3-29.5173.1-77.4171.6179.9171.60113.2V814 Q816 R822V814-K818 HydrophobicContact CG1-CD 3.97Å; V814-K818 HydrophobicContact CG1-CG 4.46Å; V814-K818 VanDerWaalsContact O-CB 3.27Å; V814-K818 WeakPolarHBondContact O-CB 3.49Å; V814-K818 WeakPolarHBondContact O-CG 3.45Å; V814-K818 PolarHBondContact O-N 3.01Å; Q816-K818 VanDerWaalsContact C-N 3.33Å; Q816-K818 PolarHBondContact O-N 2.79Å; K818-R822 PolarHBondContact O-N 3.32Å; K818-R822 PolarHBondContact O-NE 2.69Å; K818-R822 VanDerWaalsContact O-NE 3.16Å
819K81.7Confident82Confident148 Ų148104.9 Ų104.964%0.64353%0.526SS*.Hα-helixtrans-76.5-41.3175.8-162.9-179.9-177.6-174.90111.5L815 Q816 V817 R822 S823L815-K819 WeakPolarHBondContact O-CB 3.42Å; L815-K819 PolarHBondContact O-N 3.01Å; Q816-K819 CarbonylContact O-C 3.57Å; Q816-K819 WeakPolarHBondContact O-CA 3.43Å; Q816-K819 WeakPolarHBondContact O-CB 3.35Å; Q816-K819 PolarHBondContact O-N 3.25Å; V817-K819 VanDerWaalsContact C-N 3.26Å; V817-K819 PolarHBondContact O-N 3.08Å; K819-R822 PolarHBondContact O-N 3.26Å; K819-S823 PolarHBondContact O-N 2.86Å; K819-S823 PolarHBondContact O-OG 2.84Å
820M79.9Confident81.6Confident137 Ų137104.1 Ų104.168%0.67553%0.525SS*.Hα-helixtrans-61.8-46.8172.5-68.2178.169.600111.5Q816 V817 R822 S823 A824Q816-M820 PolarHBondContact O-N 2.82Å; V817-M820 PolarHBondContact O-N 2.98Å; M820-R822 VanDerWaalsContact C-N 3.3Å; M820-R822 PolarHBondContact O-N 2.95Å; M820-S823 PolarHBondContact O-N 2.88Å; M820-A824 WeakPolarHBondContact O-CB 3.18Å; M820-A824 PolarHBondContact O-N 3.25Å
821F80.6Confident81.1Confident141 Ų141105.7 Ų105.762%0.61853%0.53SS*.Hα-helixtrans-60.5-37.5176.7-117.5-77.9000112.8V817 L825V817-F821 HydrophobicContact CG1-CD2 4.39Å; V817-F821 WeakPolarHBondContact O-CB 3.47Å; V817-F821 PolarHBondContact O-N 3.28Å; F821-L825 WeakPolarHBondContact O-CB 3.49Å; F821-L825 WeakPolarHBondContact O-CD1 3.43Å; F821-L825 VanDerWaalsContact O-CG 3.25Å; F821-L825 WeakPolarHBondContact O-CG 3.28Å; F821-L825 PolarHBondContact O-N 2.77Å
822R80.7Confident80.6Confident141 Ų141105.4 Ų105.453%0.53253%0.532SS..Hα-helixtrans-66.3-45.3173.5-84.6-179.3-72.6-126.90.4112.6K818 K819 M820 A824 L825 E826K818-R822 PolarHBondContact O-N 3.32Å; K818-R822 PolarHBondContact O-NE 2.69Å; K818-R822 VanDerWaalsContact O-NE 3.16Å; K819-R822 PolarHBondContact O-N 3.26Å; M820-R822 VanDerWaalsContact C-N 3.3Å; M820-R822 PolarHBondContact O-N 2.95Å; R822-A824 VanDerWaalsContact C-N 3.34Å; R822-A824 PolarHBondContact O-N 3.4Å; R822-L825 PolarHBondContact O-N 3.25Å; R822-E826 PolarHBondContact O-N 3.44Å
823S79.4Confident80.1Confident56 Ų56107.6 Ų107.639%0.39254%0.539SS..Hα-helixtrans-61-44.2178.3-50.80000111.1K819 M820 L825 E826 E827K819-S823 PolarHBondContact O-N 2.86Å; K819-S823 PolarHBondContact O-OG 2.84Å; M820-S823 PolarHBondContact O-N 2.88Å; S823-L825 VanDerWaalsContact C-N 3.34Å; S823-L825 PolarHBondContact O-N 3.19Å; S823-E826 PolarHBondContact O-N 3.34Å; S823-E827 PolarHBondContact O-N 3.09Å
824A77.2Confident79.7Confident52 Ų52112 Ų11243%0.4355%0.552SS.*Hα-helixtrans-65.9-32.7176.400000113.2M820 R822 N828M820-A824 WeakPolarHBondContact O-CB 3.18Å; M820-A824 PolarHBondContact O-N 3.25Å; R822-A824 VanDerWaalsContact C-N 3.34Å; R822-A824 PolarHBondContact O-N 3.4Å; A824-N828 WeakPolarHBondContact O-CB 3.36Å; A824-N828 PolarHBondContact O-N 3.48Å
825L79.2Confident79.4Confident109 Ų109112.2 Ų112.257%0.57155%0.551SS**Hα-helixtrans-70.6-38.3173.1-78.1167.1000112.1F821 R822 S823 S829F821-L825 WeakPolarHBondContact O-CB 3.49Å; F821-L825 WeakPolarHBondContact O-CD1 3.43Å; F821-L825 VanDerWaalsContact O-CG 3.25Å; F821-L825 WeakPolarHBondContact O-CG 3.28Å; F821-L825 PolarHBondContact O-N 2.77Å; R822-L825 PolarHBondContact O-N 3.25Å; S823-L825 VanDerWaalsContact C-N 3.34Å; S823-L825 PolarHBondContact O-N 3.19Å; L825-S829 WeakPolarHBondContact O-CB 3.28Å; L825-S829 PolarHBondContact O-N 2.74Å
826E78.7Confident78.9Confident133 Ų133113.3 Ų113.362%0.62155%0.553SS**Hα-helixtrans-67.7-45.5175.4-76.1174.5147.700111.6R822 S823 N828 S829 I830R822-E826 PolarHBondContact O-N 3.44Å; S823-E826 PolarHBondContact O-N 3.34Å; E826-N828 PolarHBondContact O-N 2.81Å; E826-S829 PolarHBondContact O-N 2.83Å; E826-I830 WeakPolarHBondContact O-CG1 3.43Å; E826-I830 PolarHBondContact O-N 2.85Å
827E78.9Confident78.5Confident138 Ų138114.6 Ų114.665%0.64556%0.559SS**Hα-helixtrans-58.1-48.5173.7-75.3-177.6150.800111.8S823 S829 I830 E831S823-E827 PolarHBondContact O-N 3.09Å; E827-S829 VanDerWaalsContact C-N 3.31Å; E827-S829 PolarHBondContact O-N 2.84Å; E827-I830 PolarHBondContact O-N 2.73Å; E827-E831 WeakPolarHBondContact O-CB 3.45Å; E827-E831 PolarHBondContact O-N 2.92Å
828N77.7Confident78.1Confident100 Ų100115.9 Ų115.954%0.53556%0.561SS.*Hα-helixtrans-65.9-32.9179.4-163.3-2.8000111.9A824 E826 E831 L832A824-N828 WeakPolarHBondContact O-CB 3.36Å; A824-N828 PolarHBondContact O-N 3.48Å; E826-N828 PolarHBondContact O-N 2.81Å; N828-E831 PolarHBondContact O-N 3.06Å; N828-L832 WeakPolarHBondContact O-CB 3.47Å; N828-L832 PolarHBondContact O-N 3.3Å
829S76.8Confident77.7Confident69 Ų69117.3 Ų117.348%0.48357%0.567SS.*Hα-helixtrans-65.3-43.7173.4-166.70000112.2L825 E826 E827 E831 L832 E833L825-S829 WeakPolarHBondContact O-CB 3.28Å; L825-S829 PolarHBondContact O-N 2.74Å; E826-S829 PolarHBondContact O-N 2.83Å; E827-S829 VanDerWaalsContact C-N 3.31Å; E827-S829 PolarHBondContact O-N 2.84Å; S829-E831 VanDerWaalsContact C-N 3.32Å; S829-E831 PolarHBondContact O-N 2.93Å; S829-L832 PolarHBondContact O-N 3.26Å; S829-E833 PolarHBondContact O-N 3.05Å; S829-E833 VanDerWaalsContact O-N 3.08Å
830I79.2Confident77.2Confident99 Ų99115 Ų11551%0.50857%0.566SS.*Hα-helixtrans-64.7-38.6176.7-66.5164000110.8E826 E827 R834E826-I830 WeakPolarHBondContact O-CG1 3.43Å; E826-I830 PolarHBondContact O-N 2.85Å; E827-I830 PolarHBondContact O-N 2.73Å; I830-R834 PolarHBondContact O-N 2.86Å; I830-R834 VanDerWaalsContact O-N 3.13Å
831E77.4Confident76.9Confident119 Ų119111 Ų11156%0.55655%0.551SS**Hα-helixtrans-69.2-36.2176.4-167.1129-133.200112.1E827 N828 S829 R834 N835E827-E831 WeakPolarHBondContact O-CB 3.45Å; E827-E831 PolarHBondContact O-N 2.92Å; N828-E831 PolarHBondContact O-N 3.06Å; S829-E831 VanDerWaalsContact C-N 3.32Å; S829-E831 PolarHBondContact O-N 2.93Å; E831-R834 PolarHBondContact O-N 3.49Å; E831-N835 WeakPolarHBondContact O-CB 3.49Å; E831-N835 PolarHBondContact O-N 3.11Å; E831-N835 PolarHBondContact O-ND2 2.6Å
832L76.3Confident76.5Confident102 Ų102111 Ų11153%0.53455%0.548SS..Hα-helixtrans-65.3-41.8174.5-155.484.2000112.2N828 S829 N835 Q836N828-L832 WeakPolarHBondContact O-CB 3.47Å; N828-L832 PolarHBondContact O-N 3.3Å; S829-L832 PolarHBondContact O-N 3.26Å; L832-N835 PolarHBondContact O-N 3.25Å; L832-Q836 PolarHBondContact O-N 3.32Å
833E76.4Confident76.2Confident135 Ų135111.3 Ų111.363%0.63155%0.553SS**Hα-helixtrans-63.1-44.1174.9-75.1-169.7154.400111.9S829 N835 Q836 H837S829-E833 PolarHBondContact O-N 3.05Å; S829-E833 VanDerWaalsContact O-N 3.08Å; E833-N835 VanDerWaalsContact C-N 3.33Å; E833-N835 PolarHBondContact O-N 2.85Å; E833-Q836 PolarHBondContact O-N 2.86Å; E833-H837 PolarHBondContact O-N 2.88Å
834R77.2Confident75.6Confident181 Ų181111.6 Ų111.668%0.68356%0.559SS**Hα-helixtrans-57.1-46.3172.5-94.3-176.5169144.2-0.1112I830 E831 H837 M838I830-R834 PolarHBondContact O-N 2.86Å; I830-R834 VanDerWaalsContact O-N 3.13Å; E831-R834 PolarHBondContact O-N 3.49Å; R834-H837 PolarHBondContact O-N 3.01Å; R834-M838 PolarHBondContact O-N 3.15Å
835N77.3Confident75.3Confident79 Ų79113.4 Ų113.442%0.42256%0.56SS.*Hα-helixtrans-66.5-37.2179.7-77.6-40.5000112.1E831 L832 E833 M838 F839E831-N835 WeakPolarHBondContact O-CB 3.49Å; E831-N835 PolarHBondContact O-N 3.11Å; E831-N835 PolarHBondContact O-ND2 2.6Å; L832-N835 PolarHBondContact O-N 3.25Å; E833-N835 VanDerWaalsContact C-N 3.33Å; E833-N835 PolarHBondContact O-N 2.85Å; N835-M838 PolarHBondContact O-N 2.89Å; N835-F839 WeakPolarHBondContact O-CB 3.36Å; N835-F839 PolarHBondContact O-N 2.81Å
836Q75.3Confident74.6Confident129 Ų129112.8 Ų112.860%0.60356%0.557SS**Hα-helixtrans-62.4-46.6171.8-81.7-171.4-1000112.1L832 E833 M838 F839 T840L832-Q836 PolarHBondContact O-N 3.32Å; E833-Q836 PolarHBondContact O-N 2.86Å; Q836-M838 VanDerWaalsContact C-N 3.33Å; Q836-M838 PolarHBondContact O-N 3.14Å; Q836-F839 PolarHBondContact O-N 2.83Å; Q836-F839 VanDerWaalsContact O-N 3.1Å; Q836-T840 PolarHBondContact O-N 3.11Å; Q836-T840 PolarHBondContact O-OG1 2.81Å
837H75.5Confident73.9Confident140 Ų140113.7 Ų113.765%0.64856%0.559SS**Hα-helixtrans-61.6-41178.3-169.5-72.2000112.3E833 R834 S841E833-H837 PolarHBondContact O-N 2.88Å; R834-H837 PolarHBondContact O-N 3.01Å; H837-S841 PolarHBondContact O-N 2.86Å; H837-S841 PolarHBondContact O-OG 3.39Å
838M72.6Confident73.1Confident107 Ų107114.7 Ų114.753%0.52756%0.563SS.*Hα-helixtrans-58.8-48.2170.1-90.5-108.1-72.300111.8R834 N835 Q836 T840 S841 Y842R834-M838 PolarHBondContact O-N 3.15Å; N835-M838 PolarHBondContact O-N 2.89Å; Q836-M838 VanDerWaalsContact C-N 3.33Å; Q836-M838 PolarHBondContact O-N 3.14Å; M838-T840 VanDerWaalsContact C-N 3.35Å; M838-T840 PolarHBondContact O-N 3.23Å; M838-S841 WeakPolarHBondContact O-CB 3.49Å; M838-S841 PolarHBondContact O-N 2.88Å; M838-Y842 PolarHBondContact O-N 3.38Å; M838-Y842 HydrophobicContact SD-CE2 4.34Å
839F72.8Confident72.2Confident148 Ų148114.4 Ų114.465%0.64956%0.561SS**Hα-helixtrans-63.6-37.5-178.8-124.5-78.9000113N835 Q836 K843N835-F839 WeakPolarHBondContact O-CB 3.36Å; N835-F839 PolarHBondContact O-N 2.81Å; Q836-F839 PolarHBondContact O-N 2.83Å; Q836-F839 VanDerWaalsContact O-N 3.1Å; F839-K843 WeakPolarHBondContact O-CB 3.41Å; F839-K843 PolarHBondContact O-N 2.89Å
840T71.4Confident71.4Confident100 Ų100115.8 Ų115.861%0.61356%0.563SS**Hα-helixtrans-65.3-41.6175.6-47.20000111.1Q836 M838 K843 A844Q836-T840 PolarHBondContact O-N 3.11Å; Q836-T840 PolarHBondContact O-OG1 2.81Å; M838-T840 VanDerWaalsContact C-N 3.35Å; M838-T840 PolarHBondContact O-N 3.23Å; T840-K843 PolarHBondContact O-N 2.84Å; T840-A844 PolarHBondContact O-N 2.66Å
841S74.1Confident70.4Confident53 Ų53117.1 Ų117.137%0.37157%0.572SS.*Hα-helixtrans-65.1-46.3176.6-53.30000111.6H837 M838 K843 A844 I845H837-S841 PolarHBondContact O-N 2.86Å; H837-S841 PolarHBondContact O-OG 3.39Å; M838-S841 WeakPolarHBondContact O-CB 3.49Å; M838-S841 PolarHBondContact O-N 2.88Å; S841-K843 PolarHBondContact O-N 3.13Å; S841-A844 PolarHBondContact O-N 3.04Å; S841-I845 PolarHBondContact O-N 2.84Å
842Y73Confident69.3Low140 Ų140121 Ų12155%0.54958%0.583SS.*Hα-helixtrans-62.2-38.7175.2-99.4-81000112.8M838 A844 I845 I846M838-Y842 PolarHBondContact O-N 3.38Å; M838-Y842 HydrophobicContact SD-CE2 4.34Å; Y842-A844 VanDerWaalsContact C-N 3.32Å; Y842-A844 PolarHBondContact O-N 3.12Å; Y842-I845 PolarHBondContact O-N 2.77Å; Y842-I846 WeakPolarHBondContact O-CB 3.17Å; Y842-I846 VanDerWaalsContact O-CG1 3.27Å; Y842-I846 WeakPolarHBondContact O-CG1 3.25Å; Y842-I846 PolarHBondContact O-N 2.79Å
843K73.5Confident68.3Low148 Ų148121.5 Ų121.564%0.64359%0.585SS**Hα-helixtrans-63.9-34.3176.1-98.9-176.3173176.80113.4F839 T840 S841 K847F839-K843 WeakPolarHBondContact O-CB 3.41Å; F839-K843 PolarHBondContact O-N 2.89Å; T840-K843 PolarHBondContact O-N 2.84Å; S841-K843 PolarHBondContact O-N 3.13Å; K843-K847 PolarHBondContact O-N 2.87Å
844A66.7Low67.1Low63 Ų63121.6 Ų121.652%0.52159%0.588SS.*Hα-helixtrans-65.9-49.5174.400000111T840 S841 Y842 I846 K847 E848T840-A844 PolarHBondContact O-N 2.66Å; S841-A844 PolarHBondContact O-N 3.04Å; Y842-A844 VanDerWaalsContact C-N 3.32Å; Y842-A844 PolarHBondContact O-N 3.12Å; A844-I846 PolarHBondContact O-N 2.89Å; A844-K847 WeakPolarHBondContact O-CB 3.26Å; A844-K847 PolarHBondContact O-N 3.12Å; A844-E848 PolarHBondContact O-N 2.91Å
845I71.1Confident65.7Low89 Ų89121.9 Ų121.946%0.45660%0.595SS.*Hα-helixtrans-62.4-44179.8-67167.4000111.9S841 Y842 K847 E848 L849S841-I845 PolarHBondContact O-N 2.84Å; Y842-I845 PolarHBondContact O-N 2.77Å; I845-K847 PolarHBondContact O-N 3.17Å; I845-E848 PolarHBondContact O-N 3.31Å; I845-L849 HydrophobicContact CG2-CD1 3.87Å; I845-L849 PolarHBondContact O-N 2.83Å
846I65Low64Low96 Ų96124.8 Ų124.849%0.49261%0.61SS.*Hα-helixtrans-61.6-35.7177.7-71.8167.8000110.8Y842 A844 L849 N850Y842-I846 WeakPolarHBondContact O-CB 3.17Å; Y842-I846 VanDerWaalsContact O-CG1 3.27Å; Y842-I846 WeakPolarHBondContact O-CG1 3.25Å; Y842-I846 PolarHBondContact O-N 2.79Å; A844-I846 PolarHBondContact O-N 2.89Å; I846-L849 PolarHBondContact O-N 2.91Å; I846-N850 WeakPolarHBondContact O-CB 3.36Å; I846-N850 PolarHBondContact O-N 2.91Å
847K64.1Low62.2Low153 Ų153126.7 Ų126.767%0.66562%0.624SS**Hα-helixtrans-66.1-42.8179.5-164.2-179.9178.7-171.60112.2K843 A844 I845K843-K847 PolarHBondContact O-N 2.87Å; A844-K847 WeakPolarHBondContact O-CB 3.26Å; A844-K847 PolarHBondContact O-N 3.12Å; I845-K847 PolarHBondContact O-N 3.17Å
848E61.4Low60.2Low158 Ų158127.8 Ų127.874%0.73863%0.63SS**Hα-helixtrans-66-38.7174.1-75.7-174.4135.700112.7A844 I845A844-E848 PolarHBondContact O-N 2.91Å; I845-E848 PolarHBondContact O-N 3.31Å
849L59.9Low58.5Low94 Ų94128 Ų12849%0.49263%0.633SS.*Hα-helixtrans-71.2-34.8179.2-90.1159.3000113.4I845 I846 Y852 L853I845-L849 HydrophobicContact CG2-CD1 3.87Å; I845-L849 PolarHBondContact O-N 2.83Å; I846-L849 PolarHBondContact O-N 2.91Å; L849-Y852 PolarHBondContact O-N 3.31Å; L849-L853 HydrophobicContact CD2-CD1 4.42Å; L849-L853 PolarHBondContact O-N 2.89Å; L849-L853 VanDerWaalsContact O-N 3.08Å
850N59.5Low56.8Low99 Ų99130.8 Ų130.853%0.52964%0.641SS.*Hα-helixtrans-68-38.6-178.1-140.719.4000111.7I846 Y852 L853 I854I846-N850 WeakPolarHBondContact O-CB 3.36Å; I846-N850 PolarHBondContact O-N 2.91Å; N850-Y852 PolarHBondContact O-N 3.32Å; N850-L853 PolarHBondContact O-N 3.19Å; N850-I854 WeakPolarHBondContact O-CG1 3.3Å
851D57.2Low55.7Low127 Ų127130.9 Ų130.968%0.67964%0.643SS**Hα-helixtrans-64.2-21.4175.5-72.7-13.4000112.4
852Y55.5Low54.1Low201 Ų201135.8 Ų135.879%0.78866%0.664SS**Hα-helixtrans-91.6-29.3177.4-142.3-89.8000113.8L849 N850L849-Y852 PolarHBondContact O-N 3.31Å; N850-Y852 PolarHBondContact O-N 3.32Å
853L54.5Low52.5Low111 Ų111136 Ų13658%0.58167%0.674SS**Hα-helixtrans-89.5-12.5-171.8-87.3163.2000115.6L849 N850 K855 N856L849-L853 HydrophobicContact CD2-CD1 4.42Å; L849-L853 PolarHBondContact O-N 2.89Å; L849-L853 VanDerWaalsContact O-N 3.08Å; N850-L853 PolarHBondContact O-N 3.19Å; L853-K855 PolarHBondContact O-N 2.92Å; L853-N856 PolarHBondContact O-N 3.25Å
854I52Low50.8Low137 Ų137137.2 Ų137.270%0.70369%0.687SS**THydrogen-bonded Turntrans-57.1-8.1177.7-74.6164.7000114.1N850N850-I854 WeakPolarHBondContact O-CG1 3.3Å
855K46.8Very low49.4Very low188 Ų188141.5 Ų141.582%0.81770%0.7SS**THydrogen-bonded Turntrans-94.5-10.6-178.2-98.7179.6177.5173.80117.8L853L853-K855 PolarHBondContact O-N 2.92Å
856N42Very low48Very low139 Ų139143.7 Ų143.774%0.74372%0.718SS**SBendtrans-145.5107.3-174.7-79.8-44.3000115.9L853L853-N856 PolarHBondContact O-N 3.25Å
857N36.6Very low46.8Very low169 Ų169144.4 Ų144.490%0.90473%0.727SS**  trans64.6154.6156.3-84.52.8000121.9
858E33.9Very low45.5Very low164 Ų164143.3 Ų143.377%0.76673%0.728SS**  trans-112.4168.3-158.1-43.7175.8130.900114.9
859N36.6Very low44.4Very low112 Ų112143.6 Ų143.660%0.59973%0.729SS**  trans73.7140141.1-73.4-24.3000120.1
860Y37.8Very low43.4Very low205 Ų205143.4 Ų143.480%0.80474%0.736SS**  cis-146166.5-1.7-113.3-84.2000109.3
861P47.6Very low42.4Very low103 Ų103149.8 Ų149.867%0.66975%0.754SS**  trans-113.7-166.3-17439.4-22.9000113.8
862I41.1Very low41.6Very low155 Ų155153.1 Ų153.180%0.79576%0.763SS**  trans172.6141134.7-89.1155.3000113.1
863D40.1Very low41.2Very low145 Ų145152.4 Ų152.478%0.77577%0.766SS**  trans-88170.7176.1-64.3-66.4000114.7
864L37.6Very low40.9Very low173 Ų173152.1 Ų152.191%0.90677%0.765SS**  trans-142.8135.1153.4-136.588.7000113.3
865L36.6Very low41.4Very low153 Ų153150.5 Ų150.580%0.80176%0.764SS**  trans-116.2173.9-179.9-80.3144.9000111.3
866T41.7Very low42.2Very low136 Ų136147.6 Ų147.683%0.83476%0.756SS**  trans133.8155.2161.554.40000112
867V40.8Very low43.4Very low110 Ų110147.7 Ų147.767%0.66775%0.751SS**  cis-157.4139.7-4.2112.70000112.3
868N37.3Very low44.8Very low130 Ų130145.5 Ų145.570%0.69574%0.738SS**  trans51.8170.7145.2-60.2-5.4000123.7
869Q37.4Very low46.6Very low165 Ų165143 Ų14377%0.77173%0.73SS**  -178.9146.5-51.2-112.5-179.8-1.400109.2
870S37.9Very low48.5Very low90 Ų90143.1 Ų143.163%0.62973%0.73SS**  trans37.4123.5146.2173.40000122
871Y38.5Very low50.3Low232 Ų232136 Ų13691%0.9171%0.708SS**  -145.3134.8125.7-87.7-72.6000111.3
872K42.2Very low51.8Low197 Ų197137.5 Ų137.586%0.85770%0.704SS**PPolyproline II helixtrans-94.2138.4173.1-73.5177.6173.5179.70109.9
873H46.4Very low53.6Low186 Ų186134 Ų13486%0.86169%0.687SS**PPolyproline II helixtrans-97.7130.3157.6-82-81.1000109.5
874D47.9Very low55.5Low105 Ų105132 Ų13256%0.56168%0.676SS**PPolyproline II helixtrans-96.1127.3-173.9-163.8-17.9000109.9L876 F877D874-L876 PolarHBondContact O-N 2.82Å; D874-L876 VanDerWaalsContact O-N 3.07Å; D874-F877 PolarHBondContact O-N 2.98Å; D874-F877 VanDerWaalsContact O-N 3.12Å
875P61.7Low57.6Low103 Ų103127.6 Ų127.667%0.66965%0.653SS**THydrogen-bonded Turntrans-53.1-30.1-179.1-29.436.3000114.5F877 L878P875-F877 PolarHBondContact O-N 2.87Å; P875-F877 VanDerWaalsContact O-N 3.12Å; P875-L878 PolarHBondContact O-N 3.5Å
876L65.2Low59.7Low127 Ų127126.1 Ų126.167%0.66564%0.64SS**Hα-helixtrans-56.8-24.9178.2-95.9154.9000114.6D874 L880D874-L876 PolarHBondContact O-N 2.82Å; D874-L876 VanDerWaalsContact O-N 3.07Å; L876-L880 WeakPolarHBondContact O-CB 3.2Å; L876-L880 PolarHBondContact O-N 2.74Å
877F67Low61.5Low142 Ų142126.1 Ų126.162%0.62363%0.63SS**Hα-helixtrans-74.2-32.3-178.7-170.8-97.6000113D874 P875 T881D874-F877 PolarHBondContact O-N 2.98Å; D874-F877 VanDerWaalsContact O-N 3.12Å; P875-F877 PolarHBondContact O-N 2.87Å; P875-F877 VanDerWaalsContact O-N 3.12Å; F877-T881 PolarHBondContact O-N 3.22Å; F877-T881 PolarHBondContact O-OG1 2.94Å
878L65.1Low63.3Low122 Ų122122.1 Ų122.164%0.63961%0.609SS**Hα-helixtrans-73.2-45.6-178.5-123.475000111.5P875 T881 F882P875-L878 PolarHBondContact O-N 3.5Å; L878-T881 PolarHBondContact O-N 2.97Å; L878-F882 PolarHBondContact O-N 2.85Å; L878-F882 VanDerWaalsContact O-N 3.12Å
879D73.1Confident65.3Low113 Ų113119.2 Ų119.260%0.60459%0.593SS**Hα-helixtrans-63.9-43.6179.1-71.7-25.2000111.6T881 F882 D883D879-T881 VanDerWaalsContact C-N 3.25Å; D879-T881 PolarHBondContact O-N 2.95Å; D879-F882 PolarHBondContact O-N 2.96Å; D879-F882 VanDerWaalsContact O-N 3.17Å; D879-D883 PolarHBondContact O-N 2.78Å
880L76.5Confident67.4Low114 Ų114119.5 Ų119.560%0.59759%0.594SS**Hα-helixtrans-61.8-34.7177.5-164.574.4000112.1L876 L884L876-L880 WeakPolarHBondContact O-CB 3.2Å; L876-L880 PolarHBondContact O-N 2.74Å; L880-L884 HydrophobicContact CG-CD1 4.49Å; L880-L884 WeakPolarHBondContact O-CB 3.5Å; L880-L884 WeakPolarHBondContact O-CG 3.39Å; L880-L884 PolarHBondContact O-N 2.92Å
881T75.6Confident69.6Low56 Ų56117.8 Ų117.834%0.34458%0.581SS.*Hα-helixtrans-68.7-41.1176.5-55.70000111.3F877 L878 D879 L884 I885F877-T881 PolarHBondContact O-N 3.22Å; F877-T881 PolarHBondContact O-OG1 2.94Å; L878-T881 PolarHBondContact O-N 2.97Å; D879-T881 VanDerWaalsContact C-N 3.25Å; D879-T881 PolarHBondContact O-N 2.95Å; T881-L884 PolarHBondContact O-N 3.29Å; T881-I885 HydrophobicContact CG2-CD1 4.34Å; T881-I885 WeakPolarHBondContact O-CG1 3.43Å; T881-I885 PolarHBondContact O-N 2.86Å; T881-I885 VanDerWaalsContact O-N 3.15Å
882F78.2Confident71.5Confident133 Ų133115.7 Ų115.758%0.58358%0.577SS**Hα-helixtrans-66.1-40.3176.8-101.7-78.3000113L878 D879 I885 K886L878-F882 PolarHBondContact O-N 2.85Å; L878-F882 VanDerWaalsContact O-N 3.12Å; D879-F882 PolarHBondContact O-N 2.96Å; D879-F882 VanDerWaalsContact O-N 3.17Å; F882-I885 PolarHBondContact O-N 3.21Å; F882-K886 PolarHBondContact O-N 3.2Å; F882-K886 VanDerWaalsContact O-N 3.09Å
883D79.4Confident73.5Confident81 Ų81113.8 Ų113.843%0.43357%0.571SS.*Hα-helixtrans-71.4-34.6177.2-86.3-7.4000112.6D879 I885 K886 Q887D879-D883 PolarHBondContact O-N 2.78Å; D883-I885 VanDerWaalsContact C-N 3.33Å; D883-I885 PolarHBondContact O-N 3.31Å; D883-K886 PolarHBondContact O-N 2.92Å; D883-K886 IonicContact OD1-NZ 3.29Å; D883-K886 PolarHBondContact OD1-NZ 3.29Å; D883-Q887 WeakPolarHBondContact O-CG 3.24Å; D883-Q887 PolarHBondContact O-N 2.92Å
884L80Confident75.3Confident105 Ų105107.3 Ų107.355%0.5555%0.546SS..Hα-helixtrans-60-40.7170.3-82.5165.8000112.2L880 T881 Q887 A888L880-L884 HydrophobicContact CG-CD1 4.49Å; L880-L884 WeakPolarHBondContact O-CB 3.5Å; L880-L884 WeakPolarHBondContact O-CG 3.39Å; L880-L884 PolarHBondContact O-N 2.92Å; T881-L884 PolarHBondContact O-N 3.29Å; L884-Q887 PolarHBondContact O-N 3.01Å; L884-A888 WeakPolarHBondContact O-CB 3.46Å; L884-A888 PolarHBondContact O-N 2.93Å
885I80.7Confident77Confident80 Ų80103.4 Ų103.441%0.4153%0.527SS..Hα-helixtrans-66.6-42176.5-67.7167.3000111.2T881 F882 D883 Q887 A888 L889T881-I885 HydrophobicContact CG2-CD1 4.34Å; T881-I885 WeakPolarHBondContact O-CG1 3.43Å; T881-I885 PolarHBondContact O-N 2.86Å; T881-I885 VanDerWaalsContact O-N 3.15Å; F882-I885 PolarHBondContact O-N 3.21Å; D883-I885 VanDerWaalsContact C-N 3.33Å; D883-I885 PolarHBondContact O-N 3.31Å; I885-Q887 VanDerWaalsContact C-N 3.35Å; I885-Q887 PolarHBondContact O-N 3.35Å; I885-A888 PolarHBondContact O-N 2.95Å; I885-L889 HydrophobicContact CG2-CD1 4.24Å; I885-L889 WeakPolarHBondContact O-CG 3.46Å; I885-L889 PolarHBondContact O-N 3.35Å
886K80.7Confident77.9Confident122 Ų122104.4 Ų104.453%0.5353%0.526SS..Hα-helixtrans-60.9-41.4174.4-75.2177-171.7157.90112.6F882 D883 L889 H890F882-K886 PolarHBondContact O-N 3.2Å; F882-K886 VanDerWaalsContact O-N 3.09Å; D883-K886 PolarHBondContact O-N 2.92Å; D883-K886 IonicContact OD1-NZ 3.29Å; D883-K886 PolarHBondContact OD1-NZ 3.29Å; K886-L889 PolarHBondContact O-N 2.87Å; K886-H890 PolarHBondContact O-ND1 2.79Å
887Q79.6Confident78.7Confident135 Ų135104.1 Ų104.163%0.63152%0.524SS*.Hα-helixtrans-67.4-41.7176.4-71178.817.700111.6D883 L884 I885 L889 H890D883-Q887 WeakPolarHBondContact O-CG 3.24Å; D883-Q887 PolarHBondContact O-N 2.92Å; L884-Q887 PolarHBondContact O-N 3.01Å; I885-Q887 VanDerWaalsContact C-N 3.35Å; I885-Q887 PolarHBondContact O-N 3.35Å; Q887-L889 VanDerWaalsContact C-N 3.28Å; Q887-L889 PolarHBondContact O-N 3.1Å; Q887-H890 PolarHBondContact O-N 3.27Å
888A78.6Confident79.4Confident27 Ų2798.9 Ų98.922%0.22350%0.503CS..Hα-helixtrans-61.3-35.2176.400000112.7L884 I885 H890 C891 C894 S895 V898L884-A888 WeakPolarHBondContact O-CB 3.46Å; L884-A888 PolarHBondContact O-N 2.93Å; I885-A888 PolarHBondContact O-N 2.95Å; A888-H890 VanDerWaalsContact C-N 3.26Å; A888-H890 PolarHBondContact O-N 2.74Å; A888-C891 PolarHBondContact O-N 2.83Å; A888-C894 HydrophobicContact CB-CB 4.32Å; A888-C894 WeakPolarHBondContact O-CB 3.34Å; A888-S895 PolarHBondContact O-N 2.91Å; A888-V898 HydrophobicContact CB-CG2 3.92Å
889L79.7Confident80.1Confident69 Ų6996.5 Ų96.536%0.36149%0.491SS..Hα-helixtrans-67.2-20174.1-76.9163.5000114.1I885 K886 Q887 V898I885-L889 HydrophobicContact CG2-CD1 4.24Å; I885-L889 WeakPolarHBondContact O-CG 3.46Å; I885-L889 PolarHBondContact O-N 3.35Å; K886-L889 PolarHBondContact O-N 2.87Å; Q887-L889 VanDerWaalsContact C-N 3.28Å; Q887-L889 PolarHBondContact O-N 3.1Å; L889-V898 HydrophobicContact CD2-CB 4.3Å; L889-V898 HydrophobicContact CD2-CG1 3.78Å; L889-V898 HydrophobicContact CG-CG1 4.05Å
890H81.5Confident80.4Confident171 Ų17193.3 Ų93.379%0.79248%0.478SS*.Hα-helixtrans-87-14.9176.1-78.959.1000113.7K886 Q887 A888K886-H890 PolarHBondContact O-ND1 2.79Å; Q887-H890 PolarHBondContact O-N 3.27Å; A888-H890 VanDerWaalsContact C-N 3.26Å; A888-H890 PolarHBondContact O-N 2.74Å
891C83.9Confident80.5Confident53 Ų5396.7 Ų96.736%0.35848%0.484SS..SBendtrans-84.7129.3174.6177.60000110.7A888 E893 C894 S895A888-C891 PolarHBondContact O-N 2.83Å; C891-E893 VanDerWaalsContact C-N 3.26Å; C891-E893 PolarHBondContact O-N 3.07Å; C891-C894 HydrophobicContact CB-CB 3.9Å; C891-C894 PolarHBondContact O-N 2.87Å; C891-C894 VanDerWaalsContact SG-SG 3.62Å; C891-S895 WeakPolarHBondContact O-CB 3.34Å; C891-S895 PolarHBondContact O-N 3.5Å; C891-S895 PolarHBondContact O-OG 2.94Å
892K79.5Confident80.5Confident189 Ų18997.7 Ų97.782%0.82249%0.487SS*.Hα-helixtrans-59.6-33.1-179.7-79.3-173.8174.3-178.80113.8S895K892-S895 PolarHBondContact O-OG 3.25Å
893E82.3Confident80Confident156 Ų15698.5 Ų98.573%0.72949%0.492SS*.Hα-helixtrans-84.4-46.4-180-64.4176.1176.700111.3C891 S895 L896C891-E893 VanDerWaalsContact C-N 3.26Å; C891-E893 PolarHBondContact O-N 3.07Å; E893-S895 PolarHBondContact O-N 3.17Å; E893-L896 PolarHBondContact O-N 3.17Å
894C85.1Confident79.6Confident51 Ų51102.6 Ų102.635%0.34551%0.506SS..Hα-helixtrans-70.5-32.3-179.5-51.60000112.8A888 C891 L896 I897 V898A888-C894 HydrophobicContact CB-CB 4.32Å; A888-C894 WeakPolarHBondContact O-CB 3.34Å; C891-C894 HydrophobicContact CB-CB 3.9Å; C891-C894 PolarHBondContact O-N 2.87Å; C891-C894 VanDerWaalsContact SG-SG 3.62Å; C894-L896 PolarHBondContact O-N 3.32Å; C894-I897 WeakPolarHBondContact O-CB 3.46Å; C894-I897 PolarHBondContact O-N 3.18Å; C894-V898 WeakPolarHBondContact O-CG2 3.5Å; C894-V898 PolarHBondContact O-N 3.13Å
895S82.7Confident78.9Confident22 Ų22101.6 Ų101.615%0.15451%0.508CS..Hα-helixtrans-62.3-31.4177.563.30000112.4A888 C891 K892 E893 N899A888-S895 PolarHBondContact O-N 2.91Å; C891-S895 WeakPolarHBondContact O-CB 3.34Å; C891-S895 PolarHBondContact O-N 3.5Å; C891-S895 PolarHBondContact O-OG 2.94Å; K892-S895 PolarHBondContact O-OG 3.25Å; E893-S895 PolarHBondContact O-N 3.17Å; S895-N899 WeakPolarHBondContact O-CB 3.47Å; S895-N899 PolarHBondContact O-N 3.45Å; S895-N899 PolarHBondContact O-ND2 2.83Å
896L80.6Confident77.6Confident125 Ų125103.9 Ų103.965%0.65452%0.521SS*.Hα-helixtrans-65.4-38.9172.1-67.7171.6000111.7E893 C894 S900E893-L896 PolarHBondContact O-N 3.17Å; C894-L896 PolarHBondContact O-N 3.32Å; L896-S900 WeakPolarHBondContact O-CB 3.49Å; L896-S900 PolarHBondContact O-N 3Å
897I83Confident75.7Confident121 Ų121100.9 Ų100.962%0.62152%0.524SS*.Hα-helixtrans-69.1-47.9177.3-59.6171.8000110.2C894 S900 Y901C894-I897 WeakPolarHBondContact O-CB 3.46Å; C894-I897 PolarHBondContact O-N 3.18Å; I897-S900 PolarHBondContact O-N 3.15Å; I897-Y901 PolarHBondContact O-N 3.36Å
898V82.3Confident73.7Confident32 Ų32101.7 Ų101.719%0.19453%0.531CS..Hα-helixtrans-63.3-47.5178.9176.60000110.7A888 L889 C894 S900 Y901 I902A888-V898 HydrophobicContact CB-CG2 3.92Å; L889-V898 HydrophobicContact CD2-CB 4.3Å; L889-V898 HydrophobicContact CD2-CG1 3.78Å; L889-V898 HydrophobicContact CG-CG1 4.05Å; C894-V898 WeakPolarHBondContact O-CG2 3.5Å; C894-V898 PolarHBondContact O-N 3.13Å; V898-S900 VanDerWaalsContact C-N 3.34Å; V898-S900 PolarHBondContact O-N 2.88Å; V898-Y901 WeakPolarHBondContact O-CB 3.28Å; V898-Y901 PolarHBondContact O-N 3.09Å; V898-Y901 VanDerWaalsContact O-N 3.14Å; V898-I902 HydrophobicContact CG1-CD1 3.84Å; V898-I902 WeakPolarHBondContact O-CG1 3.2Å; V898-I902 PolarHBondContact O-N 3.02Å
899N79.1Confident71.7Confident72 Ų72106.9 Ų106.939%0.38556%0.555SS.*Hα-helixtrans-65.7-34176.1-71.3-39.1000112.4S895 Y901 I902 Q903S895-N899 WeakPolarHBondContact O-CB 3.47Å; S895-N899 PolarHBondContact O-N 3.45Å; S895-N899 PolarHBondContact O-ND2 2.83Å; N899-Y901 VanDerWaalsContact C-N 3.32Å; N899-I902 PolarHBondContact O-N 2.55Å; N899-Q903 WeakPolarHBondContact O-CB 3.28Å; N899-Q903 WeakPolarHBondContact O-CG 3.1Å; N899-Q903 PolarHBondContact O-N 2.86Å
900S78.8Confident69.5Low46 Ų46109.5 Ų109.532%0.32257%0.569SS.*Hα-helixtrans-64.7-36.8172.2-175.20000111.9L896 I897 V898 K904L896-S900 WeakPolarHBondContact O-CB 3.49Å; L896-S900 PolarHBondContact O-N 3Å; I897-S900 PolarHBondContact O-N 3.15Å; V898-S900 VanDerWaalsContact C-N 3.34Å; V898-S900 PolarHBondContact O-N 2.88Å; S900-K904 VanDerWaalsContact O-CB 3.31Å; S900-K904 WeakPolarHBondContact O-CB 3.1Å; S900-K904 VanDerWaalsContact O-CG 3.26Å; S900-K904 WeakPolarHBondContact O-CG 3.31Å; S900-K904 PolarHBondContact O-N 3.49Å
901Y79.2Confident67.4Low184 Ų184108.3 Ų108.372%0.72256%0.561SS**Hα-helixtrans-69.9-39.9175.8-148.6-85.5000111.9I897 V898 N899 K904 S905I897-Y901 PolarHBondContact O-N 3.36Å; V898-Y901 WeakPolarHBondContact O-CB 3.28Å; V898-Y901 PolarHBondContact O-N 3.09Å; V898-Y901 VanDerWaalsContact O-N 3.14Å; N899-Y901 VanDerWaalsContact C-N 3.32Å; Y901-K904 PolarHBondContact O-N 3.43Å; Y901-S905 PolarHBondContact O-N 3.13Å; Y901-S905 VanDerWaalsContact O-N 3.13Å; Y901-S905 PolarHBondContact O-OG 3.2Å
902I75.8Confident65.1Low78 Ų78112.4 Ų112.440%0.458%0.576SS.*Hα-helixtrans-66.7-39.6173.8-65.2166.2000111.3V898 N899 S905V898-I902 HydrophobicContact CG1-CD1 3.84Å; V898-I902 WeakPolarHBondContact O-CG1 3.2Å; V898-I902 PolarHBondContact O-N 3.02Å; N899-I902 PolarHBondContact O-N 2.55Å; I902-S905 WeakPolarHBondContact CA-OG 3.36Å; I902-S905 PolarHBondContact O-N 3.35Å; I902-S905 PolarHBondContact O-OG 2.79Å
903Q66.4Low63Low149 Ų149110.7 Ų110.770%0.69658%0.575SS**Hα-helixtrans-67.8-39.4174.2-78.6-177.4-22.700112.1N899 S905 N906N899-Q903 WeakPolarHBondContact O-CB 3.28Å; N899-Q903 WeakPolarHBondContact O-CG 3.1Å; N899-Q903 PolarHBondContact O-N 2.86Å; Q903-S905 VanDerWaalsContact C-N 3.29Å; Q903-S905 PolarHBondContact O-N 3.36Å; Q903-N906 PolarHBondContact O-N 2.69Å
904K72.2Confident60.7Low168 Ų168108.3 Ų108.373%0.7357%0.571SS**Hα-helixtrans-67.4-24.5177.7-80.7175.6178.2176.60114.1S900 Y901 N906S900-K904 VanDerWaalsContact O-CB 3.31Å; S900-K904 WeakPolarHBondContact O-CB 3.1Å; S900-K904 VanDerWaalsContact O-CG 3.26Å; S900-K904 WeakPolarHBondContact O-CG 3.31Å; S900-K904 PolarHBondContact O-N 3.49Å; Y901-K904 PolarHBondContact O-N 3.43Å; K904-N906 VanDerWaalsContact C-N 3.32Å
905S64.6Low58.1Low83 Ų83112.4 Ų112.458%0.5859%0.589SS**Hα-helixtrans-79.1-14.8174.236.30000113.4Y901 I902 Q903Y901-S905 PolarHBondContact O-N 3.13Å; Y901-S905 VanDerWaalsContact O-N 3.13Å; Y901-S905 PolarHBondContact O-OG 3.2Å; I902-S905 WeakPolarHBondContact CA-OG 3.36Å; I902-S905 PolarHBondContact O-N 3.35Å; I902-S905 PolarHBondContact O-OG 2.79Å; Q903-S905 VanDerWaalsContact C-N 3.29Å; Q903-S905 PolarHBondContact O-N 3.36Å
906N54.6Low55.6Low129 Ų129117.8 Ų117.869%0.6962%0.622SS**SBendtrans-123.114.9-162.7-70.52.5000115.9Q903 K904Q903-N906 PolarHBondContact O-N 2.69Å; K904-N906 VanDerWaalsContact C-N 3.32Å
907G39.5Very low53.2Low58 Ų58118.4 Ų118.460%0.59863%0.625SS**  trans-156.5118.1-177.600000117.4
908I37.5Very low50.6Low153 Ų153119.9 Ų119.979%0.78563%0.633SS**  trans-136126.7169-72.3-178.2000109.8
909N36.4Very low48.3Very low136 Ų136123 Ų12373%0.72765%0.654SS**  trans76.3145.2164.8-61.3-13000121.7
910L35Very low45.8Very low123 Ų123126.5 Ų126.564%0.64467%0.672SS**  cis-170.9143.8-21.2-104.1170.9000110.2
911K36.6Very low43.3Very low146 Ų146131.5 Ų131.564%0.63569%0.687SS**  trans65.3156.6143.6-73.5166.7166.6-102.80120.4
912E36.3Very low40.8Very low140 Ų140129.5 Ų129.565%0.65469%0.685SS**  cis-154-174.9-5.5-129.1148.4-171.800112.1
913D34.4Very low38.6Very low153 Ų153134 Ų13482%0.81870%0.704SS**  trans79139.9173.9-68-13.3000120.8
914V33.8Very low36.8Very low106 Ų106135.3 Ų135.364%0.64271%0.71SS**  -174.1132.7-57.3142.90000109.3
915N31.9Very low34.9Very low136 Ų136134.6 Ų134.673%0.72771%0.713SS**  trans45.9140.3160-59.3-19.4000120.4
916T30.5Very low33.4Very low136 Ų136136 Ų13683%0.83472%0.718SS**  -171.1162.971.6-59.80000111.8
917L28.6Very low32.4Very low138 Ų138136.2 Ų136.272%0.72372%0.719SS**  trans-112166.3-169.4-89.197.9000114.9
918L29.4Very low32.3Very low151 Ų151140.8 Ų140.879%0.79173%0.726SS**  trans79.5171.6143.5-74.3162.8000118.2
919P33.6Very low32.2Very low97 Ų97140.2 Ų140.263%0.6373%0.725SS**  -142.9-158.4-104.940.9-15.2000115.9
920I27.1Very low32.2Very low147 Ų147140 Ų14075%0.75472%0.724SS**  trans77.1121.8153.6-68.3167.5000120.4
921K26.6Very low32.4Very low151 Ų151140.8 Ų140.866%0.65773%0.729SS**  trans33.7140.1140.4-66170.9149.6-85.50125
922E25.8Very low32.4Very low142 Ų142140.1 Ų140.166%0.66473%0.732SS**  56.6112.5129.6-62.6154.8-176.300121.9
923E28.6Very low32.5Very low173 Ų173140 Ų14081%0.80874%0.736SS**  73.6129.6129-69.5-176.9167.200125
924E30Very low32.6Very low175 Ų175138.8 Ų138.882%0.81873%0.729SS**  trans79.2167142.6-75.3-161.5159.900124.3
925I32.4Very low33Very low154 Ų154139.7 Ų139.779%0.7974%0.735SS**  trans91.691.1174.9-51.5171.5000114.6
926V32.5Very low33.2Very low113 Ų113138.6 Ų138.669%0.68573%0.729SS**  80.8115.866.6173.10000115
927N34.5Very low33.5Very low133 Ų133139.4 Ų139.471%0.71172%0.721SS**  -174.8125.3125-103.2-30.9000117
928M36.1Very low33.9Very low153 Ų153140.6 Ų140.675%0.75472%0.723SS**  trans41.4119.6141-58-172.5-17100123
929N36.7Very low34.2Very low141 Ų141139.6 Ų139.675%0.75472%0.719SS**  -176.1116.588.6-102.4-34.9000115.6
930N36Very low34.1Very low133 Ų133142.8 Ų142.871%0.71173%0.725SS**  trans18.5120.2139.6-61.6-9.5000121.6
931N38.3Very low34.5Very low139 Ų139141.9 Ų141.974%0.74372%0.722SS**  174.4140.586-97.3-30.4000114.8
932N36.6Very low34.8Very low131 Ų131142 Ų14270%0.70172%0.724SS**  trans1.6140.9153.3-50.9-12.2000119.5
933D39.6Very low35.4Very low137 Ų137143.5 Ų143.573%0.73374%0.736SS**  -156.8132.750.5-95.6-44000110.2
934N36.8Very low35.5Very low128 Ų128141.1 Ų141.168%0.68473%0.729SS**  85.8136.773.3-95.4-39.5000116.7
935T40.4Very low35.7Very low126 Ų126139 Ų13977%0.77372%0.723SS**  trans66.9138.3163.555.40000119.2
936D37.6Very low35.8Very low112 Ų112140.2 Ų140.260%0.59972%0.723SS**  cis-166.7144.3-18.4-130.9-20.4000111.8
937K36.3Very low35.6Very low154 Ų154139.6 Ų139.667%0.6772%0.723SS**  trans68.2137.9140.6-81.9158.3-164.6140.90125.5
938Q36.9Very low35.5Very low162 Ų162142.3 Ų142.376%0.75773%0.732SS**  trans77.3142.6150.5-65.2167.514.200119.1
939N35.5Very low35.2Very low130 Ų130143.9 Ų143.970%0.69574%0.737SS**  cis-160.4120.8-18.8-108.90.6000109.9
940Q31.3Very low35Very low165 Ų165146.5 Ų146.577%0.77174%0.742SS**  39.3151.4124.6-107.4169.6-32.600125.7
941D35.3Very low34.7Very low127 Ų127147.1 Ų147.168%0.67975%0.746SS**  trans79.9100.1161.3-55.1-23.7000118.6
942H34.3Very low34.5Very low153 Ų153147.8 Ų147.871%0.70875%0.747SS**  72.8111.470.2-83.1-59.8000116
943L36.6Very low34.2Very low175 Ų175149.6 Ų149.692%0.91676%0.757SS**  -157130127.1-115.1150.6000112.5
944N30.9Very low33.9Very low122 Ų122150.4 Ų150.465%0.65276%0.761SS**  trans-80.3153.4-179.8-70.5-42.5000112.2
945N34.9Very low33.6Very low131 Ų131151.3 Ų151.370%0.70176%0.762SS**  -177.2118.5113.1-92-35.3000110.2
946K34Very low33.2Very low179 Ų179150.8 Ų150.878%0.77876%0.762SS**  66.195.199.7-75.9-171.7177.1-176.70112.7
947S29.5Very low33.1Very low100 Ų100151.4 Ų151.470%0.69977%0.769SS**  85.9112.875.467.30000112.9
948E32.1Very low32.9Very low191 Ų191152.2 Ų152.289%0.89377%0.773SS**  -167.1127.4126.5-108.9173.3-160.900110.5
949E29Very low32.7Very low186 Ų186155.1 Ų155.187%0.86978%0.777SS**  trans-79.4141.4171.4-60.4166.2120.300109.7
950K33.1Very low32.5Very low195 Ų195157.6 Ų157.685%0.84879%0.785SS**  trans-163.2121.3142.7-111153.6-168.5167.50112.8
951N30.2Very low32.7Very low147 Ų147154.3 Ų154.379%0.78678%0.78SS**  trans-3.1128.4150-57.6-24.8000116.5
952I33.6Very low32.7Very low153 Ų153155.6 Ų155.679%0.78579%0.785SS**  -163.4118.598.1-87.9145.4000107.6D954I952-D954 HydrophobicContact CG2-CB 4.33Å
953N30.1Very low33Very low169 Ų169155.8 Ų155.890%0.90479%0.79SS**  trans-88.4116.7161.6-85.5-17.5000107.1
954D33Very low33Very low153 Ų153155.1 Ų155.182%0.81878%0.782SS**  trans-158.1162.4159.7-124.2-27.6000111.8I952I952-D954 HydrophobicContact CG2-CB 4.33Å
955E30.9Very low33.5Very low148 Ų148155.2 Ų155.269%0.69278%0.781SS**  trans60.971.6-177.9-66.4-151.7119.100117.5K958E955-K958 IonicContact OE1-NZ 2.96Å; E955-K958 PolarHBondContact OE1-NZ 2.96Å
956C32.3Very low33.5Very low115 Ų115156.2 Ų156.278%0.77779%0.785SS**  trans-80.7149.4144.8-166.20000110.7
957T35.4Very low33.8Very low124 Ų124155.7 Ų155.776%0.76179%0.785SS**  trans6292.5164.642.10000119.9
958K31.1Very low34.2Very low171 Ų171160 Ų16074%0.74379%0.792SS**  trans-123.180.2149.1-87175.6-179.7138.20111.3E955E955-K958 IonicContact OE1-NZ 2.96Å; E955-K958 PolarHBondContact OE1-NZ 2.96Å
959R33.6Very low34.4Very low223 Ų223159.9 Ų159.984%0.84279%0.788SS**SBendtrans-166.6155.7158.8-107170.8-176.8-173.40.5108.7
960Q32.4Very low34.7Very low183 Ų183160.7 Ų160.786%0.85579%0.789SS**  trans63.378.1-174.3-71.795.9-15.700118.6
961S34Very low34.7Very low95 Ų95159.4 Ų159.466%0.66479%0.791SS**  trans-140.611.4160.4-640000116.3
962I35.6Very low34.8Very low155 Ų155160.3 Ų160.380%0.79579%0.794SS**SBendtrans-99.8-14.2-169.7-72.7177.3000114.9
963I39.9Very low35Very low157 Ų157159.7 Ų159.781%0.80579%0.793SS**SBendtrans-96.7-17.7-175.2-68.5175.8000113.7
964H37.8Very low35.3Very low161 Ų161158 Ų15875%0.74579%0.789SS**SBendtrans-104.512.8-173-14749.5000115.4
965I40.6Very low35.4Very low124 Ų124155.5 Ų155.564%0.63678%0.781SS**SBendtrans-103-13.9-178-68.9177.8000112.7
966L36.1Very low35.6Very low152 Ų152154.8 Ų154.880%0.79678%0.782SS**SBendtrans-93.5-11.3-174.3-74170.3000115.7
967E39.8Very low35.7Very low167 Ų167156.2 Ų156.278%0.7878%0.782SS**THydrogen-bonded Turntrans-91.30.5-176.3-67.6-174.7130.400114.7
968K38.6Very low35.5Very low192 Ų192154.7 Ų154.784%0.83578%0.775SS**THydrogen-bonded Turntrans-114.710.6-174.5-129.3174-174.7175.20116.1
969F35.2Very low35.7Very low187 Ų187156.8 Ų156.882%0.8278%0.78SS**SBendtrans-134.976.3178.8-94.3-82.3000113.1
970K34.7Very low35.7Very low203 Ų203152 Ų15288%0.88378%0.775SS**  trans-163.5150.9152.6-114.4164.4-173.6177.20111.9
971L33.6Very low36Very low169 Ų169148.2 Ų148.289%0.88577%0.767SS**  trans77.467.2169.6-60.8160.9000117.4
972L33.2Very low35.9Very low165 Ų165150.4 Ų150.486%0.86477%0.771SS**  trans-115.4153134.3-89.3163.5000108.4
973N36.3Very low35.7Very low140 Ų140150.1 Ų150.175%0.74977%0.77SS**SBendtrans81.485.7174.7-60.2-14.6000119.2
974T38.3Very low35.4Very low135 Ų135151.3 Ų151.383%0.82877%0.769SS**  70.2153.9117.146.50000122.1
975P34.8Very low35Very low99 Ų99149.7 Ų149.764%0.64377%0.77SS**  trans-116.9167.5-150.142-32.1000115.5
976N34.8Very low34.8Very low134 Ų134151.1 Ų151.172%0.71777%0.774SS**  159141.7123-84.6-29.8000113.1
977N33.6Very low34.7Very low144 Ų144151.6 Ų151.677%0.7777%0.772SS**  trans61.5146.8151.7-61.7-13.1000118.6
978C32.7Very low34.2Very low92 Ų92151.4 Ų151.462%0.62278%0.776SS**  cis-163.1176.8-9.7-107.40000108.5
979Y33.8Very low34Very low215 Ų215150.5 Ų150.584%0.84378%0.78SS**  trans82.667.7166.7-59.6-73000119.7
980T35.1Very low33.9Very low122 Ų122144.7 Ų144.775%0.74877%0.773SS**  -7.2165.7115.337.90000120
981P37.4Very low33.8Very low104 Ų104142.8 Ų142.868%0.67577%0.773SS**  -145.5-156.5-5837.4-13.6000113.2
982L32.3Very low33.7Very low142 Ų142144.9 Ų144.974%0.74377%0.774SS**  trans102.6128.4150.4-75.9152.6000121.8
983L31.5Very low33.8Very low148 Ų148142.3 Ų142.378%0.77577%0.77SS**  trans69.4136.3153.2-62.3158.1000115.9
984K32.7Very low33.8Very low182 Ų182140.8 Ų140.879%0.79177%0.766SS**  cis-154161.523.4-128.6167.4-174.2-175.30111.5
985V30.9Very low33.6Very low127 Ų127142.3 Ų142.377%0.7776%0.764SS**  trans-93.7137.4170.4174.20000110.1
986H34.9Very low33.5Very low155 Ų155144.7 Ų144.772%0.71877%0.766SS**  trans-148115.8151-89.1-69.8000104.9
987E33.9Very low33.5Very low161 Ų161147.8 Ų147.875%0.75277%0.774SS**  75128.577.7-76.6-175.5144.100114
988L29.7Very low33.4Very low164 Ų164147.7 Ų147.786%0.85977%0.772SS**  trans-84.4141.1179.7-58.1109.7000110.8
989N34.2Very low33.5Very low172 Ų172148.6 Ų148.692%0.9277%0.774SS**  trans172.8157.6139-91-27.8000112.4
990G33.2Very low33.4Very low66 Ų66146.1 Ų146.168%0.6877%0.772SS**  trans94.8125.2174.700000113.5
991D32.7Very low33.4Very low163 Ų163147 Ų14787%0.87277%0.772SS**  cis-129.6139.914.8-74.5-38.3000114.6
992K32.4Very low33.2Very low212 Ų212149.2 Ų149.292%0.92278%0.779SS**  trans-154122.6156.5-96.9-164178.1-174.40109.3
993S35.6Very low33.4Very low111 Ų111149.2 Ų149.278%0.77678%0.78SS**  trans-167.1146.8171.752.40000109.8
994V34.7Very low33.7Very low108 Ų108148.6 Ų148.666%0.65578%0.777SS**  cis-178.8155.7-19.61220000106.7
995E34.1Very low33.8Very low168 Ų168144.7 Ų144.779%0.78577%0.771SS**  trans61.2158165.4-76.2144-153.200117.5
996E33.6Very low34.1Very low148 Ų148146.3 Ų146.369%0.69277%0.77SS**  cis-156.7143.83.9-138168.8-169.200110.1
997F33.6Very low34.1Very low200 Ų200144.8 Ų144.888%0.87777%0.772SS**  169.1130130-106.1-79.8000111
998I32.2Very low34.2Very low142 Ų142142 Ų14273%0.72877%0.77SS**  trans-129.2142.9-167-56.5172.5000108.2
999T34Very low34.5Very low110 Ų110139.2 Ų139.268%0.67577%0.765SS**  163.7127.2123.943.40000114.1
1000M33.4Very low34.6Very low163 Ų163143.3 Ų143.380%0.80378%0.778SS**  trans63.9140135.9-62.4178.4-175.400119.3
1001N35.2Very low34.7Very low140 Ų140147.2 Ų147.275%0.74978%0.783SS**  cis-149.71404.7-103.4-16.3000110.1
1002D31.7Very low34.8Very low152 Ų152146.3 Ų146.381%0.81378%0.778SS**  trans-80.5143.1150.5-80-52.3000109.2
1003N38.1Very low34.9Very low142 Ų142142.7 Ų142.776%0.75977%0.77SS**  trans-175.5134.4140.4-98.7-32.9000114.1
1004N37Very low34.9Very low135 Ų135144.5 Ų144.572%0.72277%0.77SS**  trans78.5123.8146.6-63.2-14.4000122.5
1005C35.5Very low34.9Very low99 Ų99146.8 Ų146.867%0.66978%0.777SS**  trans60.1108.8131.3-67.80000118.6
1006E36.1Very low35Very low161 Ų161145.4 Ų145.475%0.75278%0.776SS**  97.5119.667.9-91.9-175.514500112.9
1007T36.3Very low35.1Very low123 Ų123145.2 Ų145.276%0.75578%0.782SS**  trans76.2149.1145.5650000122
1008S34.7Very low35.2Very low102 Ų102141 Ų14171%0.71378%0.775SS**  trans7790.5163.565.50000119.4
1009S36.3Very low35.4Very low106 Ų106140.9 Ų140.974%0.74178%0.779SS**  32110.712359.20000119.2
1010H37Very low35.5Very low258 Ų258143.7 Ų143.7100%1.19479%0.788SS**  -150.80103-120.6-54.4000113.2

Retrieved 1,010 of 1,010 residues in 766.6 ms (Link to these results)

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