HSP70_SCHMA Loading...

Heat shock 70 kDa protein homolog

Major immunogen in Schistosoma mansoni infections. Possibly plays an important role in parasite development and pathogenesis.

AlphaFold DB , UniProt , Accession P08418, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 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
1M50.7Low87.3Confident171 Ų17128.4 Ų28.484%0.84216%0.156SC*.  0134.10-79.8-160.2-79.800107.8N3 R135M1-N3 PolarHBondContact O-N 3.45Å; M1-N3 PolarHBondContact O-OD1 2.85Å; M1-R135 PolarHBondContact O-NH1 3.03Å; M1-R135 VanDerWaalsContact O-NH1 3.09Å
2P57.8Low88Confident39 Ų3927 Ų2725%0.25315%0.149SC..  trans-47.2131.2177.2-29.236.5000111.3A4 R135P2-A4 VanDerWaalsContact C-N 3.28Å; P2-R135 PolarHBondContact O-NH2 2.84Å
3N78.4Confident88.7Confident53 Ų5329.3 Ų29.328%0.28316%0.155SC..  trans-97.423.5175.9-72.8-7.4000111.1M1 R135 S138 D139M1-N3 PolarHBondContact O-N 3.45Å; M1-N3 PolarHBondContact O-OD1 2.85Å; N3-R135 PolarHBondContact OD1-NH1 3.38Å; N3-S138 WeakPolarHBondContact CB-OG 3.17Å; N3-D139 PolarHBondContact O-N 3.49Å
4A94.4Very high89.4Confident6 Ų627.2 Ų27.25%0.0514%0.144CC..EExtended strand (participates in β ladder)trans-103.2136.5-172.700000111.8P2 D139 L168 A375 S379P2-A4 VanDerWaalsContact C-N 3.28Å; A4-D139 VanDerWaalsContact CA-O 3.27Å; A4-D139 WeakPolarHBondContact CA-O 3.19Å; A4-D139 HydrophobicContact CB-CB 3.83Å; A4-L168 HydrophobicContact CB-CD1 3.92Å; A4-A375 HydrophobicContact CB-CB 3.87Å; A4-S379 WeakPolarHBondContact CB-OG 3.45Å
5I98Very high90Very high0 Ų025.5 Ų25.50%014%0.135CC..EExtended strand (participates in β ladder)trans-117.9152.4176.257.2170.9000110.6I7 V16 G17 V18 A129 V137 D139 A140 V141I5-I7 HydrophobicContact CD1-CD1 3.66Å; I5-I7 HydrophobicContact CD1-CG1 3.8Å; I5-I7 HydrophobicContact CG1-CD1 4.2Å; I5-I7 HydrophobicContact CG1-CG1 4.08Å; I5-V16 HydrophobicContact CB-CG2 4.1Å; I5-V16 HydrophobicContact CD1-CG2 3.8Å; I5-V16 HydrophobicContact CG1-CG2 4.43Å; I5-G17 WeakPolarHBondContact CA-O 3.35Å; I5-V18 HydrophobicContact CG2-CB 4.44Å; I5-V18 HydrophobicContact CG2-CG2 4.48Å; I5-A129 HydrophobicContact CD1-CB 4.1Å; I5-A129 HydrophobicContact CG2-CB 3.83Å; I5-V137 HydrophobicContact CB-CG1 4.42Å; I5-V137 HydrophobicContact CD1-CG1 3.72Å; I5-V137 HydrophobicContact CG1-CG1 3.72Å; I5-V137 HydrophobicContact CG2-CG1 3.9Å; I5-V137 HydrophobicContact CG2-CG2 4.3Å; I5-D139 PolarHBondContact N-O 3.46Å; I5-D139 VanDerWaalsContact N-O 3.1Å; I5-A140 HydrophobicContact CG1-CB 4.07Å; I5-A140 CarbonylContact O-C 3.51Å; I5-A140 VanDerWaalsContact O-CA 3.29Å; I5-A140 WeakPolarHBondContact O-CA 3.27Å; I5-V141 PolarHBondContact O-N 3.35Å
6G98.4Very high90.5Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-96.3127.9166.800000109.8V16 G17 A371G6-V16 WeakPolarHBondContact O-CA 3.28Å; G6-G17 PolarHBondContact N-O 3.24Å; G6-G17 PolarHBondContact O-N 3.4Å; G6-A371 VanDerWaalsContact CA-C 3.5Å
7I98.7Very high91Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-120.8122.7178.4-55.7172.2000109.2I5 C15 V16 L122 M125 A140 V141 I142 T143 L165I5-I7 HydrophobicContact CD1-CD1 3.66Å; I5-I7 HydrophobicContact CD1-CG1 3.8Å; I5-I7 HydrophobicContact CG1-CD1 4.2Å; I5-I7 HydrophobicContact CG1-CG1 4.08Å; I7-C15 WeakPolarHBondContact CA-O 3.32Å; I7-V16 HydrophobicContact CG1-CG2 4.09Å; I7-L122 HydrophobicContact CD1-CD2 3.96Å; I7-L122 HydrophobicContact CG2-CD2 3.83Å; I7-M125 HydrophobicContact CD1-CB 4.15Å; I7-M125 HydrophobicContact CG1-CB 4.38Å; I7-M125 HydrophobicContact CG2-CB 4.2Å; I7-M125 HydrophobicContact CG2-CG 3.98Å; I7-A140 HydrophobicContact CD1-CB 4.16Å; I7-V141 PolarHBondContact N-O 3.28Å; I7-I142 WeakPolarHBondContact O-CA 3.46Å; I7-T143 PolarHBondContact O-N 3.43Å; I7-T143 PolarHBondContact O-OG1 3.19Å; I7-L165 HydrophobicContact CD1-CD1 3.84Å
8D98.3Very high91.3Very high23 Ų2321.5 Ų21.512%0.12311%0.114CC..EExtended strand (participates in β ladder)trans-84.8103.9157.7-179.820.5000109.3G10 S14 C15 T143 V367 A368D8-G10 PolarHBondContact O-N 3.41Å; D8-S14 CarbonylContact O-C 3.54Å; D8-S14 WeakPolarHBondContact O-CA 3.29Å; D8-S14 WeakPolarHBondContact O-CB 3.4Å; D8-C15 HydrophobicContact CB-CB 4.21Å; D8-C15 PolarHBondContact N-O 3.32Å; D8-C15 PolarHBondContact O-N 2.81Å; D8-T143 WeakPolarHBondContact CA-OG1 3.49Å; D8-T143 PolarHBondContact OD1-OG1 3.24Å; D8-T143 VanDerWaalsContact OD1-OG1 3.13Å; D8-V367 HydrophobicContact CB-CB 4.13Å; D8-V367 HydrophobicContact CB-CG1 3.76Å; D8-A368 HydrophobicContact CB-CB 3.89Å
9L97.4Very high91.4Very high3 Ų321 Ų212%0.01611%0.111CC..  trans-86.582.4173.9178.164.1000108.1K69 V121 L122 I142 T156L9-K69 WeakPolarHBondContact O-CD 3.28Å; L9-K69 WeakPolarHBondContact O-CE 3.37Å; L9-K69 PolarHBondContact O-NZ 3.15Å; L9-V121 HydrophobicContact CD1-CB 4.17Å; L9-V121 HydrophobicContact CD1-CG1 3.95Å; L9-L122 HydrophobicContact CB-CD2 4.28Å; L9-L122 HydrophobicContact CD1-CD2 4.08Å; L9-L122 HydrophobicContact CD1-CG 4.21Å; L9-L122 HydrophobicContact CD2-CD1 4.38Å; L9-L122 HydrophobicContact CD2-CD2 4.27Å; L9-L122 HydrophobicContact CD2-CG 4.35Å; L9-L122 HydrophobicContact CG-CD2 4.44Å; L9-I142 HydrophobicContact CB-CG2 3.99Å; L9-T156 HydrophobicContact CD2-CG2 4.25Å
10G95Very high91.3Very high10 Ų1021.7 Ų21.710%0.10311%0.113CC..  trans-86.3163.9-175.200000114.3D8 Y13 S14 S38D8-G10 PolarHBondContact O-N 3.41Å; G10-Y13 CarbonylContact C-O 3.29Å; G10-Y13 WeakPolarHBondContact CA-O 3.5Å; G10-Y13 PolarHBondContact N-O 3.1Å; G10-S14 PolarHBondContact N-OG 3.5Å; G10-S38 WeakPolarHBondContact O-CB 3.48Å; G10-S38 PolarHBondContact O-OG 3.18Å
11T93.7Very high91.1Very high7 Ų728.5 Ų28.54%0.04314%0.144CC..SBendtrans-64.7-46.2179.9-55.50000112.1S38 D67 R70T11-S38 WeakPolarHBondContact O-CB 3.12Å; T11-D67 HydrophobicContact CG2-CB 4.06Å; T11-R70 HydrophobicContact CG2-CG 3.97Å
12T95.1Very high92.8Very high12 Ų1221.9 Ų21.97%0.07412%0.119CC..SBendtrans-104.2-35.9-176.5-44.60000112.1P37 S38 G200T12-P37 WeakPolarHBondContact O-CA 3.46Å; T12-S38 PolarHBondContact O-N 2.74Å; T12-G200 WeakPolarHBondContact OG1-CA 3.32Å
13Y97.3Very high94.3Very high57 Ų5725.1 Ų25.122%0.22413%0.13CC..EExtended strand (participates in β ladder)trans-138.4143.8179.7-71.9-93.4000109.6G10 T36 P37 K54 R270G10-Y13 CarbonylContact C-O 3.29Å; G10-Y13 WeakPolarHBondContact CA-O 3.5Å; G10-Y13 PolarHBondContact N-O 3.1Å; Y13-T36 CarbonylContact C-O 3.58Å; Y13-T36 VanDerWaalsContact CA-O 3.29Å; Y13-T36 WeakPolarHBondContact CA-O 3.34Å; Y13-P37 HydrophobicContact CD1-CG 4.21Å; Y13-P37 HydrophobicContact CE1-CB 4.3Å; Y13-P37 HydrophobicContact CE1-CG 3.74Å; Y13-K54 PolarHBondContact OH-NZ 3.1Å; Y13-R270 VanDerWaalsContact CZ-NH2 3.28Å; Y13-R270 PolarHBondContact OH-NH2 3.44Å
14S98.4Very high95.1Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-112.8153.2171-60.20000110.3D8 G10 T36 S38 V121D8-S14 CarbonylContact O-C 3.54Å; D8-S14 WeakPolarHBondContact O-CA 3.29Å; D8-S14 WeakPolarHBondContact O-CB 3.4Å; G10-S14 PolarHBondContact N-OG 3.5Å; S14-T36 PolarHBondContact N-O 3.49Å; S14-T36 PolarHBondContact O-N 3.33Å; S14-S38 PolarHBondContact N-OG 3.47Å; S14-S38 PolarHBondContact OG-OG 2.61Å; S14-V121 WeakPolarHBondContact OG-CG1 3.49Å
15C98.4Very high95.1Very high2 Ų225.2 Ų25.21%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-139.5146.3-177-175.40000109.4I7 D8 I26 R34 T35 A368I7-C15 WeakPolarHBondContact CA-O 3.32Å; D8-C15 HydrophobicContact CB-CB 4.21Å; D8-C15 PolarHBondContact N-O 3.32Å; D8-C15 PolarHBondContact O-N 2.81Å; C15-I26 VanDerWaalsContact SG-CG2 3.59Å; C15-R34 PolarHBondContact SG-O 2.93Å; C15-R34 VanDerWaalsContact SG-O 3.35Å; C15-T35 HydrophobicContact CB-CG2 4.32Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.56Å
16V98.6Very high95.1Very high2 Ų226.1 Ų26.11%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-132.6136.2-178.761.20000110.8I5 G6 I7 I27 M125 V128 A129I5-V16 HydrophobicContact CB-CG2 4.1Å; I5-V16 HydrophobicContact CD1-CG2 3.8Å; I5-V16 HydrophobicContact CG1-CG2 4.43Å; G6-V16 WeakPolarHBondContact O-CA 3.28Å; I7-V16 HydrophobicContact CG1-CG2 4.09Å; V16-I27 HydrophobicContact CG1-CB 4.27Å; V16-I27 PolarHBondContact O-N 3.01Å; V16-M125 HydrophobicContact CB-CB 4.19Å; V16-M125 HydrophobicContact CB-SD 4.13Å; V16-M125 HydrophobicContact CG1-CB 4.49Å; V16-M125 HydrophobicContact CG1-SD 4.05Å; V16-V128 HydrophobicContact CG1-CB 4.3Å; V16-V128 HydrophobicContact CG1-CG1 3.85Å; V16-A129 HydrophobicContact CG2-CB 4.18Å
17G97.8Very high95.1Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-132.7157.8177.900000112.6I5 G6 E25I5-G17 WeakPolarHBondContact CA-O 3.35Å; G6-G17 PolarHBondContact N-O 3.24Å; G6-G17 PolarHBondContact O-N 3.4Å; G17-E25 CarbonylContact C-O 3.56Å; G17-E25 VanDerWaalsContact CA-O 3.23Å; G17-E25 WeakPolarHBondContact CA-O 3.17Å
18V96.4Very high95Very high2 Ų228.6 Ų28.61%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-132.6144.617467.40000109.9I5 Q20 V24 E25 I27 Y132 L133I5-V18 HydrophobicContact CG2-CB 4.44Å; I5-V18 HydrophobicContact CG2-CG2 4.48Å; V18-Q20 HydrophobicContact CG1-CG 4.34Å; V18-Q20 HydrophobicContact CG2-CG 4.07Å; V18-V24 CarbonylContact O-C 3.52Å; V18-V24 WeakPolarHBondContact O-CA 3.29Å; V18-E25 HydrophobicContact CG1-CB 4.24Å; V18-E25 PolarHBondContact N-O 3.16Å; V18-E25 PolarHBondContact O-N 3.34Å; V18-I27 HydrophobicContact CB-CD1 4.25Å; V18-I27 HydrophobicContact CG1-CD1 3.92Å; V18-I27 HydrophobicContact CG1-CG1 4.32Å; V18-Y132 HydrophobicContact CG1-CD1 4.39Å; V18-Y132 HydrophobicContact CG1-CE1 4.08Å; V18-L133 HydrophobicContact CG1-CD2 4.32Å; V18-L133 HydrophobicContact CG2-CD1 4.37Å; V18-L133 HydrophobicContact CG2-CD2 4.27Å
19F94.1Very high95Very high12 Ų1228 Ų285%0.05315%0.149CC..EExtended strand (participates in β ladder)trans-92.7118.3171.1-168.8-84.1000109.9K23 V24 A376 E381 C383 V386F19-K23 CarbonylContact C-O 3.09Å; F19-K23 WeakPolarHBondContact CA-O 3.38Å; F19-V24 HydrophobicContact CD2-CG2 3.76Å; F19-V24 HydrophobicContact CE2-CG2 4.49Å; F19-A376 HydrophobicContact CB-CB 3.49Å; F19-A376 VanDerWaalsContact CB-CB 3.49Å; F19-A376 HydrophobicContact CD1-CB 3.89Å; F19-A376 HydrophobicContact CD2-CB 4.22Å; F19-A376 HydrophobicContact CG-CB 3.61Å; F19-E381 HydrophobicContact CD1-CG 3.89Å; F19-E381 HydrophobicContact CE1-CG 3.7Å; F19-C383 HydrophobicContact CE1-CB 4.19Å; F19-C383 HydrophobicContact CZ-CB 4.25Å; F19-V386 HydrophobicContact CE2-CG1 3.73Å; F19-V386 HydrophobicContact CZ-CG1 3.89Å
20Q89.2Confident94.7Very high34 Ų3432.6 Ų32.616%0.15917%0.174CC..EExtended strand (participates in β ladder)trans-145.9148.4174.5-66.3-165.5-1400111.3V18 G22 K23V18-Q20 HydrophobicContact CG1-CG 4.34Å; V18-Q20 HydrophobicContact CG2-CG 4.07Å; Q20-G22 PolarHBondContact O-N 3Å; Q20-K23 PolarHBondContact N-O 3.11Å; Q20-K23 WeakPolarHBondContact O-CG 3.44Å; Q20-K23 PolarHBondContact O-N 2.96Å; Q20-K23 VanDerWaalsContact O-N 3.14Å
21H86.8Confident94.7Very high166 Ų16638 Ų3877%0.76920%0.196SC*.THydrogen-bonded Turntrans55.634.8177.2-46.9105000113.3K23H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 2.98Å
22G86.2Confident94.8Very high31 Ų3140.3 Ų40.332%0.3222%0.221SC..THydrogen-bonded Turntrans779.2178.300000115.3Q20Q20-G22 PolarHBondContact O-N 3Å
23K90.7Very high94.9Very high108 Ų10843.2 Ų43.247%0.4724%0.236SC..EExtended strand (participates in β ladder)trans-139.7162.7177.656.6171170.81570111.6F19 Q20 H21 E25F19-K23 CarbonylContact C-O 3.09Å; F19-K23 WeakPolarHBondContact CA-O 3.38Å; Q20-K23 PolarHBondContact N-O 3.11Å; Q20-K23 WeakPolarHBondContact O-CG 3.44Å; Q20-K23 PolarHBondContact O-N 2.96Å; Q20-K23 VanDerWaalsContact O-N 3.14Å; H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 2.98Å; K23-E25 WeakPolarHBondContact CD-OE1 3.19Å; K23-E25 WeakPolarHBondContact CE-OE1 3.27Å; K23-E25 IonicContact NZ-OE1 3.76Å; K23-E25 PolarHBondContact NZ-OE1 3.37Å
24V93.9Very high94.9Very high12 Ų1246.6 Ų46.67%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-88135.6169.7177.90000110V18 F19 I26 Y369 A372 V373V18-V24 CarbonylContact O-C 3.52Å; V18-V24 WeakPolarHBondContact O-CA 3.29Å; F19-V24 HydrophobicContact CD2-CG2 3.76Å; F19-V24 HydrophobicContact CE2-CG2 4.49Å; V24-I26 HydrophobicContact CG1-CD1 4.2Å; V24-Y369 HydrophobicContact CB-CD1 4.18Å; V24-Y369 HydrophobicContact CB-CD2 3.7Å; V24-Y369 HydrophobicContact CB-CE1 3.94Å; V24-Y369 HydrophobicContact CB-CE2 3.5Å; V24-Y369 VanDerWaalsContact CB-CE2 3.5Å; V24-Y369 HydrophobicContact CB-CG 4.04Å; V24-Y369 HydrophobicContact CG1-CD1 4.4Å; V24-Y369 HydrophobicContact CG1-CD2 3.69Å; V24-Y369 HydrophobicContact CG1-CE2 4.03Å; V24-Y369 HydrophobicContact CG1-CG 3.89Å; V24-Y369 HydrophobicContact CG2-CD1 3.88Å; V24-Y369 HydrophobicContact CG2-CD2 4.33Å; V24-Y369 HydrophobicContact CG2-CE1 3.59Å; V24-Y369 HydrophobicContact CG2-CE2 4.12Å; V24-Y369 HydrophobicContact CG2-CG 4.22Å; V24-A372 HydrophobicContact CG1-CB 3.75Å; V24-A372 HydrophobicContact CG2-CB 4.25Å; V24-V373 HydrophobicContact CG2-CG2 3.53Å
25E95.4Very high94.8Very high49 Ų4948.3 Ų48.323%0.22926%0.259CS..EExtended strand (participates in β ladder)trans-113.1122.1170.1-66.6-65.7167.700109.1G17 V18 K23G17-E25 CarbonylContact C-O 3.56Å; G17-E25 VanDerWaalsContact CA-O 3.23Å; G17-E25 WeakPolarHBondContact CA-O 3.17Å; V18-E25 HydrophobicContact CG1-CB 4.24Å; V18-E25 PolarHBondContact N-O 3.16Å; V18-E25 PolarHBondContact O-N 3.34Å; K23-E25 WeakPolarHBondContact CD-OE1 3.19Å; K23-E25 WeakPolarHBondContact CE-OE1 3.27Å; K23-E25 IonicContact NZ-OE1 3.76Å; K23-E25 PolarHBondContact NZ-OE1 3.37Å
26I97.7Very high94.8Very high19 Ų1948.4 Ų48.410%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-85.8125.4170.8-58.9-61.2000108.3C15 V24 R34 E365 A368C15-I26 VanDerWaalsContact SG-CG2 3.59Å; V24-I26 HydrophobicContact CG1-CD1 4.2Å; I26-R34 HydrophobicContact CG2-CB 3.97Å; I26-R34 HydrophobicContact CG2-CG 4.22Å; I26-E365 HydrophobicContact CD1-CB 4.49Å; I26-E365 HydrophobicContact CG1-CB 4.19Å; I26-E365 HydrophobicContact CG1-CG 4.49Å; I26-E365 HydrophobicContact CG2-CG 4.2Å; I26-A368 HydrophobicContact CD1-CB 4.22Å
27I97.8Very high94.8Very high5 Ų548.4 Ų48.43%0.02626%0.26CS..PPolyproline II helixtrans-93.7125.3-167.5-51176.5000109.4V16 V18 V128 A129 Y132V16-I27 HydrophobicContact CG1-CB 4.27Å; V16-I27 PolarHBondContact O-N 3.01Å; V18-I27 HydrophobicContact CB-CD1 4.25Å; V18-I27 HydrophobicContact CG1-CD1 3.92Å; V18-I27 HydrophobicContact CG1-CG1 4.32Å; I27-V128 HydrophobicContact CB-CG1 4.13Å; I27-V128 HydrophobicContact CG2-CG1 3.61Å; I27-A129 HydrophobicContact CD1-CB 3.86Å; I27-Y132 HydrophobicContact CD1-CD1 3.83Å; I27-Y132 HydrophobicContact CD1-CG 4.18Å; I27-Y132 HydrophobicContact CG1-CD1 4.09Å; I27-Y132 HydrophobicContact CG1-CG 4.24Å; I27-Y132 VanDerWaalsContact CG2-CB 3.49Å; I27-Y132 HydrophobicContact CG2-CD1 4.46Å; I27-Y132 HydrophobicContact CG2-CD2 4.11Å; I27-Y132 HydrophobicContact CG2-CG 3.78Å
28A97.7Very high94.8Very high46 Ų4648.9 Ų48.938%0.3826%0.263SS..PPolyproline II helixtrans-72.1141.117200000110.8N33 R34 V128A28-N33 CarbonylContact C-O 3.59Å; A28-N33 WeakPolarHBondContact CA-O 3.43Å; A28-R34 HydrophobicContact CB-CG 4.47Å; A28-V128 WeakPolarHBondContact O-CG1 3.39Å
29N96.8Very high94.9Very high10 Ų1048.8 Ų48.85%0.05326%0.262CS..  trans-74-177.8174.974.512000112.1Q31 G32 N33 T36 D51 V128N29-Q31 PolarHBondContact O-N 3.07Å; N29-Q31 VanDerWaalsContact O-N 3.09Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.46Å; N29-Q31 PolarHBondContact OD1-N 2.82Å; N29-G32 PolarHBondContact O-N 2.8Å; N29-G32 PolarHBondContact OD1-N 3.47Å; N29-N33 VanDerWaalsContact CG-O 3.29Å; N29-N33 PolarHBondContact N-O 2.94Å; N29-N33 PolarHBondContact OD1-N 3.18Å; N29-N33 PolarHBondContact OD1-O 3.45Å; N29-T36 WeakPolarHBondContact CB-OG1 3.17Å; N29-T36 PolarHBondContact ND2-OG1 2.87Å; N29-D51 PolarHBondContact ND2-OD2 3.1Å; N29-V128 HydrophobicContact CB-CG1 4.47Å; N29-V128 HydrophobicContact CB-CG2 3.83Å
30D92.5Very high95.1Very high101 Ų10148.2 Ų48.254%0.5426%0.26SS..THydrogen-bonded Turntrans-63.2-11.4-179.453-48000114.9K124D30-K124 WeakPolarHBondContact OD1-CE 3.06Å; D30-K124 IonicContact OD1-NZ 3.38Å; D30-K124 PolarHBondContact OD1-NZ 3.32Å; D30-K124 IonicContact OD2-NZ 3.25Å; D30-K124 PolarHBondContact OD2-NZ 2.99Å
31Q94Very high95.5Very high123 Ų12346.6 Ų46.658%0.57525%0.252SS*.THydrogen-bonded Turntrans-104.97.1173.3-58.3-62.7-5400112.7N29 N33 D51N29-Q31 PolarHBondContact O-N 3.07Å; N29-Q31 VanDerWaalsContact O-N 3.09Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.46Å; N29-Q31 PolarHBondContact OD1-N 2.82Å; Q31-N33 VanDerWaalsContact C-N 3.32Å; Q31-D51 HydrophobicContact CG-CB 4.03Å
32G95.8Very high96.1Very high55 Ų5538.7 Ų38.757%0.56722%0.216SC*.SBendtrans81.93.8-179.500000114.9N29N29-G32 PolarHBondContact O-N 2.8Å; N29-G32 PolarHBondContact OD1-N 3.47Å
33N97.2Very high96.5Very high73 Ų7338.3 Ų38.339%0.3921%0.207SC..  trans-89.1134.4179.9-62.3-49.1000111.2A28 N29 Q31 T35A28-N33 CarbonylContact C-O 3.59Å; A28-N33 WeakPolarHBondContact CA-O 3.43Å; N29-N33 VanDerWaalsContact CG-O 3.29Å; N29-N33 PolarHBondContact N-O 2.94Å; N29-N33 PolarHBondContact OD1-N 3.18Å; N29-N33 PolarHBondContact OD1-O 3.45Å; Q31-N33 VanDerWaalsContact C-N 3.32Å; N33-T35 VanDerWaalsContact C-N 3.27Å; N33-T35 WeakPolarHBondContact CB-O 3.14Å; N33-T35 PolarHBondContact O-N 3.36Å
34R97.4Very high96.5Very high128 Ų12839.1 Ų39.148%0.48322%0.217SC..SBendtrans-74.7-15.7175.5-71.5-177.1177.3-175.1-1114.4C15 I26 A28 E365C15-R34 PolarHBondContact SG-O 2.93Å; C15-R34 VanDerWaalsContact SG-O 3.35Å; I26-R34 HydrophobicContact CG2-CB 3.97Å; I26-R34 HydrophobicContact CG2-CG 4.22Å; A28-R34 HydrophobicContact CB-CG 4.47Å; R34-E365 WeakPolarHBondContact CD-OE1 3.49Å; R34-E365 IonicContact NH1-OE1 3.14Å; R34-E365 PolarHBondContact NH1-OE1 2.82Å; R34-E365 IonicContact NH1-OE2 3.55Å; R34-E365 PolarHBondContact NH1-OE2 3Å
35T97.5Very high96.2Very high37 Ų3741.1 Ų41.123%0.22723%0.231CC..EExtended strand (participates in β ladder)trans-120.2142.3172.159.20000109C15 N33 D364C15-T35 HydrophobicContact CB-CG2 4.32Å; N33-T35 VanDerWaalsContact C-N 3.27Å; N33-T35 WeakPolarHBondContact CB-O 3.14Å; N33-T35 PolarHBondContact O-N 3.36Å; T35-D364 HydrophobicContact CG2-CB 4.28Å
36T98.3Very high96.1Very high4 Ų441.6 Ų41.63%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-116.9128.3-177.3-62.60000109.2Y13 S14 N29 S38 K124 M125Y13-T36 CarbonylContact C-O 3.58Å; Y13-T36 VanDerWaalsContact CA-O 3.29Å; Y13-T36 WeakPolarHBondContact CA-O 3.34Å; S14-T36 PolarHBondContact N-O 3.49Å; S14-T36 PolarHBondContact O-N 3.33Å; N29-T36 WeakPolarHBondContact CB-OG1 3.17Å; N29-T36 PolarHBondContact ND2-OG1 2.87Å; T36-S38 PolarHBondContact O-N 3.26Å; T36-K124 HydrophobicContact CG2-CG 4.4Å; T36-M125 HydrophobicContact CG2-CE 3.65Å; T36-M125 WeakPolarHBondContact OG1-CE 3.32Å
37P97.9Very high95.9Very high1 Ų141.9 Ų41.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-52.9134.6176-26.333.4000112.5T12 Y13 Y39 G50 D51 K54T12-P37 WeakPolarHBondContact O-CA 3.46Å; Y13-P37 HydrophobicContact CD1-CG 4.21Å; Y13-P37 HydrophobicContact CE1-CB 4.3Å; Y13-P37 HydrophobicContact CE1-CG 3.74Å; P37-Y39 HydrophobicContact CB-CD2 3.74Å; P37-Y39 HydrophobicContact CB-CE2 4.48Å; P37-Y39 HydrophobicContact CB-CG 4.28Å; P37-Y39 PolarHBondContact O-N 3.49Å; P37-G50 VanDerWaalsContact O-CA 3.28Å; P37-G50 WeakPolarHBondContact O-CA 3.49Å; P37-D51 WeakPolarHBondContact CD-OD1 3.5Å; P37-D51 WeakPolarHBondContact CG-OD1 3.32Å; P37-K54 HydrophobicContact CB-CB 3.98Å; P37-K54 HydrophobicContact CB-CD 3.87Å; P37-K54 HydrophobicContact CG-CB 4.04Å; P37-K54 HydrophobicContact CG-CD 3.7Å; P37-K54 HydrophobicContact CG-CG 4.46Å
38S98Very high95.8Very high10 Ų1043.6 Ų43.67%0.0724%0.242CC..  trans-79.254.6174.9-59.90000111.1G10 T11 T12 S14 T36G10-S38 WeakPolarHBondContact O-CB 3.48Å; G10-S38 PolarHBondContact O-OG 3.18Å; T11-S38 WeakPolarHBondContact O-CB 3.12Å; T12-S38 PolarHBondContact O-N 2.74Å; S14-S38 PolarHBondContact N-OG 3.47Å; S14-S38 PolarHBondContact OG-OG 2.61Å; T36-S38 PolarHBondContact O-N 3.26Å
39Y98.3Very high95.8Very high0 Ų042.6 Ų42.60%023%0.23CC..  trans-116.3137.4-175.2-78.9-121.1000109.6P37 I49 G50 A53 K54 V57 T64 V65 F66 R259P37-Y39 HydrophobicContact CB-CD2 3.74Å; P37-Y39 HydrophobicContact CB-CE2 4.48Å; P37-Y39 HydrophobicContact CB-CG 4.28Å; P37-Y39 PolarHBondContact O-N 3.49Å; Y39-I49 WeakPolarHBondContact O-CA 3.41Å; Y39-G50 PolarHBondContact O-N 3.01Å; Y39-A53 WeakPolarHBondContact O-CB 3.3Å; Y39-K54 HydrophobicContact CD1-CB 4.16Å; Y39-K54 HydrophobicContact CD1-CG 4.47Å; Y39-K54 HydrophobicContact CE1-CG 4.44Å; Y39-K54 HydrophobicContact CG-CB 4.16Å; Y39-V57 HydrophobicContact CD1-CG2 4.48Å; Y39-V57 HydrophobicContact CE1-CG2 4.18Å; Y39-T64 HydrophobicContact CD1-CG2 3.92Å; Y39-V65 WeakPolarHBondContact CA-O 3.15Å; Y39-F66 HydrophobicContact CD1-CB 3.82Å; Y39-F66 HydrophobicContact CD1-CD1 4.43Å; Y39-F66 HydrophobicContact CD1-CG 4.41Å; Y39-F66 HydrophobicContact CD2-CB 3.86Å; Y39-F66 HydrophobicContact CE1-CB 3.62Å; Y39-F66 AromaticContact CE1-CD1 3.91Å; Y39-F66 HydrophobicContact CE1-CD1 3.91Å; Y39-F66 AromaticContact CE1-CG 3.83Å; Y39-F66 HydrophobicContact CE1-CG 3.83Å; Y39-F66 HydrophobicContact CE2-CB 3.65Å; Y39-F66 HydrophobicContact CE2-CG 4.41Å; Y39-F66 HydrophobicContact CG-CB 3.93Å; Y39-F66 AromaticContact CZ-CG 3.81Å; Y39-R259 PolarHBondContact OH-NH1 2.85Å; Y39-R259 PolarHBondContact OH-NH2 3.21Å
40V98.4Very high95.8Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-130.5119174.6-178.30000108.3F42 L48 I49 T64 V65 I117 M120 V121V40-F42 HydrophobicContact CB-CE2 4.49Å; V40-F42 HydrophobicContact CG1-CD2 4.45Å; V40-F42 HydrophobicContact CG1-CE1 4.46Å; V40-F42 HydrophobicContact CG1-CE2 3.68Å; V40-F42 HydrophobicContact CG1-CZ 3.68Å; V40-L48 CarbonylContact C-O 3.48Å; V40-L48 WeakPolarHBondContact CA-O 3.29Å; V40-I49 HydrophobicContact CG1-CG1 4.44Å; V40-I49 HydrophobicContact CG2-CG1 4.5Å; V40-I49 HydrophobicContact CG2-CG2 4.41Å; V40-T64 CarbonylContact O-C 3.56Å; V40-T64 WeakPolarHBondContact O-CA 3.34Å; V40-V65 PolarHBondContact N-O 3.05Å; V40-V65 PolarHBondContact O-N 3.22Å; V40-I117 HydrophobicContact CB-CG2 4.16Å; V40-I117 HydrophobicContact CG2-CG2 3.86Å; V40-M120 HydrophobicContact CG1-CB 4.4Å; V40-M120 HydrophobicContact CG1-SD 3.61Å; V40-M120 HydrophobicContact CG2-CB 4.06Å; V40-V121 HydrophobicContact CG2-CG2 3.84Å
41A98.2Very high96.1Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-113139.7178.400000111.6R47 L48 A53 N63 T64A41-R47 CarbonylContact O-C 3.6Å; A41-R47 VanDerWaalsContact O-CA 3.31Å; A41-R47 WeakPolarHBondContact O-CA 3.49Å; A41-L48 HydrophobicContact CB-CB 4.26Å; A41-L48 PolarHBondContact N-O 3.46Å; A41-L48 PolarHBondContact O-N 3.17Å; A41-A53 HydrophobicContact CB-CB 3.77Å; A41-N63 WeakPolarHBondContact CA-O 3.41Å; A41-T64 HydrophobicContact CB-CG2 3.98Å
42F97.8Very high96.1Very high0 Ų034.1 Ų34.10%020%0.197CC..EExtended strand (participates in β ladder)trans-112.5121.6176.3-59-91.6000108.2V40 R47 N60 N63 V65 V103 Y105 F112 I117 M120V40-F42 HydrophobicContact CB-CE2 4.49Å; V40-F42 HydrophobicContact CG1-CD2 4.45Å; V40-F42 HydrophobicContact CG1-CE1 4.46Å; V40-F42 HydrophobicContact CG1-CE2 3.68Å; V40-F42 HydrophobicContact CG1-CZ 3.68Å; F42-R47 HydrophobicContact CD1-CG 3.9Å; F42-R47 HydrophobicContact CE1-CG 4.12Å; F42-N60 PolarHBondContact O-ND2 2.82Å; F42-N63 HydrophobicContact CB-CB 4.38Å; F42-N63 PolarHBondContact N-O 3.17Å; F42-N63 WeakPolarHBondContact O-CB 3.47Å; F42-V65 HydrophobicContact CE2-CG2 4.18Å; F42-V103 HydrophobicContact CB-CG2 4.28Å; F42-V103 HydrophobicContact CD1-CG2 4.3Å; F42-V103 HydrophobicContact CD2-CB 4Å; F42-V103 HydrophobicContact CD2-CG1 3.98Å; F42-V103 HydrophobicContact CD2-CG2 3.62Å; F42-V103 HydrophobicContact CE2-CG1 4.3Å; F42-V103 HydrophobicContact CE2-CG2 3.96Å; F42-V103 HydrophobicContact CG-CB 4.39Å; F42-V103 HydrophobicContact CG-CG2 3.8Å; F42-V103 HydrophobicContact CZ-CG2 4.44Å; F42-Y105 HydrophobicContact CB-CD2 3.89Å; F42-Y105 HydrophobicContact CB-CG 4.22Å; F42-Y105 HydrophobicContact CD1-CD1 4.45Å; F42-Y105 HydrophobicContact CD1-CD2 4.01Å; F42-Y105 AromaticContact CD1-CG 3.92Å; F42-Y105 HydrophobicContact CD1-CG 3.92Å; F42-Y105 HydrophobicContact CG-CD2 4.47Å; F42-F112 AromaticContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CZ 4.28Å; F42-F112 HydrophobicContact CE1-CD2 4.1Å; F42-F112 HydrophobicContact CE1-CE1 4.41Å; F42-F112 AromaticContact CE1-CE2 3.35Å; F42-F112 HydrophobicContact CE1-CE2 3.35Å; F42-F112 AromaticContact CE1-CZ 3.54Å; F42-F112 HydrophobicContact CE1-CZ 3.54Å; F42-F112 HydrophobicContact CE2-CD2 4.25Å; F42-F112 HydrophobicContact CE2-CE2 4.17Å; F42-F112 AromaticContact CZ-CD2 3.73Å; F42-F112 HydrophobicContact CZ-CD2 3.73Å; F42-F112 AromaticContact CZ-CE2 3.47Å; F42-F112 HydrophobicContact CZ-CE2 3.47Å; F42-F112 VanDerWaalsContact CZ-CE2 3.47Å; F42-F112 HydrophobicContact CZ-CG 4.42Å; F42-F112 AromaticContact CZ-CZ 3.98Å; F42-F112 HydrophobicContact CZ-CZ 3.98Å; F42-I117 HydrophobicContact CE2-CD1 3.77Å; F42-I117 HydrophobicContact CZ-CD1 3.66Å; F42-M120 HydrophobicContact CE1-CE 4.18Å; F42-M120 HydrophobicContact CE1-SD 4.13Å; F42-M120 HydrophobicContact CZ-CE 3.99Å; F42-M120 HydrophobicContact CZ-SD 3.79Å
43T94.7Very high96.2Very high23 Ų2331.5 Ų31.514%0.14117%0.17CC..  trans-112.5-178.8178.777.90000110.6S45 E46 L48 Y105 K106T43-S45 PolarHBondContact O-N 2.9Å; T43-S45 PolarHBondContact OG1-N 3.34Å; T43-S45 PolarHBondContact OG1-OG 3.07Å; T43-E46 PolarHBondContact N-O 3.27Å; T43-E46 PolarHBondContact OG1-N 3.49Å; T43-E46 PolarHBondContact OG1-O 3.36Å; T43-L48 HydrophobicContact CG2-CD1 4.21Å; T43-Y105 WeakPolarHBondContact O-CD2 3.17Å; T43-K106 PolarHBondContact O-N 3.1Å; T43-K106 VanDerWaalsContact O-N 3.12Å
44D91.6Very high96.2Very high125 Ų12529.5 Ų29.567%0.66816%0.158SC*.SBendtrans-69.2-13.2175.3-63.1-31.6000113.2K106D44-K106 WeakPolarHBondContact O-CG 3.44Å
45S88.4Confident96Very high54 Ų5429.4 Ų29.438%0.37817%0.166SC..SBendtrans-124.5-34.5-174.559.90000113.8T43 K106T43-S45 PolarHBondContact O-N 2.9Å; T43-S45 PolarHBondContact OG1-N 3.34Å; T43-S45 PolarHBondContact OG1-OG 3.07Å; S45-K106 VanDerWaalsContact O-CE 3.27Å; S45-K106 WeakPolarHBondContact O-CE 3.4Å
46E91.9Very high95.9Very high59 Ų5929.5 Ų29.528%0.27617%0.165SC..  trans-152.6167-167.473.3-166.6155.700113.4T43 L48 Y105 Q530T43-E46 PolarHBondContact N-O 3.27Å; T43-E46 PolarHBondContact OG1-N 3.49Å; T43-E46 PolarHBondContact OG1-O 3.36Å; E46-L48 HydrophobicContact CG-CD2 3.96Å; E46-L48 HydrophobicContact CG-CG 4.2Å; E46-Y105 WeakPolarHBondContact O-CE2 3.1Å; E46-Q530 HydrophobicContact CB-CG 3.93Å; E46-Q530 WeakPolarHBondContact OE2-CG 3.45Å; E46-Q530 PolarHBondContact OE2-NE2 3.35Å
47R94.2Very high95.8Very high25 Ų2529.5 Ų29.59%0.09416%0.164CC..EExtended strand (participates in β ladder)trans-100.3137.1167.5-58.5-176.6-55.5159.74.6108.6A41 F42 Y105 M120 D527A41-R47 CarbonylContact O-C 3.6Å; A41-R47 VanDerWaalsContact O-CA 3.31Å; A41-R47 WeakPolarHBondContact O-CA 3.49Å; F42-R47 HydrophobicContact CD1-CG 3.9Å; F42-R47 HydrophobicContact CE1-CG 4.12Å; R47-Y105 HydrophobicContact CG-CD2 4.37Å; R47-Y105 HydrophobicContact CG-CE1 4.27Å; R47-Y105 HydrophobicContact CG-CE2 3.7Å; R47-M120 PolarHBondContact NH1-SD 3.17Å; R47-D527 IonicContact CZ-OD2 3.91Å; R47-D527 IonicContact NE-OD1 3.97Å; R47-D527 IonicContact NE-OD2 3.08Å; R47-D527 PolarHBondContact NE-OD2 2.86Å; R47-D527 IonicContact NH2-OD2 3.33Å; R47-D527 PolarHBondContact NH2-OD2 2.92Å
48L96Very high95.4Very high41 Ų4130.5 Ų30.522%0.21517%0.173CC..EExtended strand (participates in β ladder)trans-114.3141.2172.7-56.4169.8000108V40 A41 T43 E46 A53 Q56V40-L48 CarbonylContact C-O 3.48Å; V40-L48 WeakPolarHBondContact CA-O 3.29Å; A41-L48 HydrophobicContact CB-CB 4.26Å; A41-L48 PolarHBondContact N-O 3.46Å; A41-L48 PolarHBondContact O-N 3.17Å; T43-L48 HydrophobicContact CG2-CD1 4.21Å; E46-L48 HydrophobicContact CG-CD2 3.96Å; E46-L48 HydrophobicContact CG-CG 4.2Å; L48-A53 HydrophobicContact CB-CB 4.22Å; L48-A53 WeakPolarHBondContact O-CB 3.36Å; L48-Q56 HydrophobicContact CD1-CG 3.79Å
49I97.3Very high95.2Very high25 Ų2535.5 Ų35.513%0.12820%0.196CC..EExtended strand (participates in β ladder)trans-132.3142.1179.4-54.8163.3000107.8Y39 V40 M120 K124Y39-I49 WeakPolarHBondContact O-CA 3.41Å; V40-I49 HydrophobicContact CG1-CG1 4.44Å; V40-I49 HydrophobicContact CG2-CG1 4.5Å; V40-I49 HydrophobicContact CG2-CG2 4.41Å; I49-M120 HydrophobicContact CD1-CB 3.97Å; I49-M120 HydrophobicContact CG1-CB 4.5Å; I49-K124 HydrophobicContact CB-CB 4.27Å; I49-K124 HydrophobicContact CB-CG 4.42Å; I49-K124 HydrophobicContact CG2-CB 3.62Å; I49-K124 HydrophobicContact CG2-CG 3.98Å
50G97.6Very high95.1Very high0 Ų036.6 Ų36.60%020%0.202CC..THydrogen-bonded Turntrans80-136.5178.300000113.5P37 Y39 G52 A53 K54P37-G50 VanDerWaalsContact O-CA 3.28Å; P37-G50 WeakPolarHBondContact O-CA 3.49Å; Y39-G50 PolarHBondContact O-N 3.01Å; G50-G52 VanDerWaalsContact C-N 3.3Å; G50-G52 PolarHBondContact O-N 3.4Å; G50-A53 WeakPolarHBondContact O-CB 3.44Å; G50-A53 PolarHBondContact O-N 2.96Å; G50-A53 VanDerWaalsContact O-N 3.13Å; G50-K54 PolarHBondContact O-N 3.46Å
51D97.2Very high94.9Very high25 Ų2537.2 Ų37.213%0.13421%0.206CC..Hα-helixtrans-58.8-40.8-177.8-67.6-64.8000112.2N29 Q31 P37 A53 K54 N55N29-D51 PolarHBondContact ND2-OD2 3.1Å; Q31-D51 HydrophobicContact CG-CB 4.03Å; P37-D51 WeakPolarHBondContact CD-OD1 3.5Å; P37-D51 WeakPolarHBondContact CG-OD1 3.32Å; D51-A53 VanDerWaalsContact C-N 3.31Å; D51-A53 PolarHBondContact O-N 2.81Å; D51-K54 PolarHBondContact O-N 3.5Å; D51-N55 WeakPolarHBondContact O-CB 3.5Å; D51-N55 PolarHBondContact O-N 3.19Å; D51-N55 PolarHBondContact O-ND2 3.05Å; D51-N55 PolarHBondContact O-OD1 3.39Å
52G95Very high94.8Very high32 Ų3239.5 Ų39.533%0.3322%0.22SC..Hα-helixtrans-57.5-42.8175.700000112.6G50 Q56G50-G52 VanDerWaalsContact C-N 3.3Å; G50-G52 PolarHBondContact O-N 3.4Å; G52-Q56 WeakPolarHBondContact O-CG 3.37Å
53A97.6Very high94.8Very high0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-67.9-45.1176.300000112Y39 A41 L48 G50 D51 N55 Q56 V57Y39-A53 WeakPolarHBondContact O-CB 3.3Å; A41-A53 HydrophobicContact CB-CB 3.77Å; L48-A53 HydrophobicContact CB-CB 4.22Å; L48-A53 WeakPolarHBondContact O-CB 3.36Å; G50-A53 WeakPolarHBondContact O-CB 3.44Å; G50-A53 PolarHBondContact O-N 2.96Å; G50-A53 VanDerWaalsContact O-N 3.13Å; D51-A53 VanDerWaalsContact C-N 3.31Å; D51-A53 PolarHBondContact O-N 2.81Å; A53-N55 PolarHBondContact O-N 2.98Å; A53-Q56 PolarHBondContact O-NE2 2.89Å; A53-V57 PolarHBondContact O-N 3.38Å
54K96.5Very high95Very high31 Ų3139.6 Ų39.614%0.13522%0.22CC..Hα-helixtrans-63.3-38.8179.6-176.4166.8-180156.20111.9Y13 P37 Y39 G50 D51 Q56 V57 E266Y13-K54 PolarHBondContact OH-NZ 3.1Å; P37-K54 HydrophobicContact CB-CB 3.98Å; P37-K54 HydrophobicContact CB-CD 3.87Å; P37-K54 HydrophobicContact CG-CB 4.04Å; P37-K54 HydrophobicContact CG-CD 3.7Å; P37-K54 HydrophobicContact CG-CG 4.46Å; Y39-K54 HydrophobicContact CD1-CB 4.16Å; Y39-K54 HydrophobicContact CD1-CG 4.47Å; Y39-K54 HydrophobicContact CE1-CG 4.44Å; Y39-K54 HydrophobicContact CG-CB 4.16Å; G50-K54 PolarHBondContact O-N 3.46Å; D51-K54 PolarHBondContact O-N 3.5Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 3.01Å; K54-V57 WeakPolarHBondContact O-CG1 3.47Å; K54-V57 PolarHBondContact O-N 3.25Å; K54-E266 IonicContact NZ-OE1 2.91Å; K54-E266 PolarHBondContact NZ-OE1 2.88Å; K54-E266 IonicContact NZ-OE2 2.67Å; K54-E266 PolarHBondContact NZ-OE2 2.82Å
55N95Very high95.3Very high125 Ų12533.7 Ų33.767%0.66819%0.188SC*.Hα-helixtrans-65.3-36-177.1-72.4-16.5000112.9D51 A53D51-N55 WeakPolarHBondContact O-CB 3.5Å; D51-N55 PolarHBondContact O-N 3.19Å; D51-N55 PolarHBondContact O-ND2 3.05Å; D51-N55 PolarHBondContact O-OD1 3.39Å; A53-N55 PolarHBondContact O-N 2.98Å
56Q94.3Very high95.7Very high40 Ų4031.2 Ų31.219%0.18717%0.171CC..Hα-helixtrans-95.8-0.9-1786780.761.900114.6L48 G52 A53 K54 A58 M59 N60 T64L48-Q56 HydrophobicContact CD1-CG 3.79Å; G52-Q56 WeakPolarHBondContact O-CG 3.37Å; A53-Q56 PolarHBondContact O-NE2 2.89Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 3.01Å; Q56-A58 PolarHBondContact O-N 3.44Å; Q56-M59 PolarHBondContact O-N 2.91Å; Q56-N60 PolarHBondContact O-N 3.47Å; Q56-N60 VanDerWaalsContact O-N 3.13Å; Q56-N60 PolarHBondContact OE1-ND2 3.31Å; Q56-T64 PolarHBondContact NE2-OG1 3.18Å
57V95.2Very high95.8Very high4 Ų428.6 Ų28.62%0.02416%0.159CC..THydrogen-bonded Turntrans-53.3-31.2-175.572.30000113.8Y39 A53 K54 M59 N60 P61 T64 R259Y39-V57 HydrophobicContact CD1-CG2 4.48Å; Y39-V57 HydrophobicContact CE1-CG2 4.18Å; A53-V57 PolarHBondContact O-N 3.38Å; K54-V57 WeakPolarHBondContact O-CG1 3.47Å; K54-V57 PolarHBondContact O-N 3.25Å; V57-M59 VanDerWaalsContact C-N 3.35Å; V57-N60 CarbonylContact O-C 3.52Å; V57-P61 WeakPolarHBondContact O-CA 3.33Å; V57-P61 WeakPolarHBondContact O-CB 3.2Å; V57-P61 WeakPolarHBondContact O-CD 3.34Å; V57-P61 VanDerWaalsContact O-N 3.08Å; V57-T64 HydrophobicContact CB-CG2 4Å; V57-T64 HydrophobicContact CG2-CG2 3.67Å; V57-R259 HydrophobicContact CG1-CG 3.98Å; V57-R259 HydrophobicContact CG2-CG 3.94Å
58A91.3Very high95.8Very high22 Ų2227.8 Ų27.818%0.18216%0.157CC..THydrogen-bonded Turntrans-70.3-31.7179.100000112.6Q56 R256 R260Q56-A58 PolarHBondContact O-N 3.44Å; A58-R256 WeakPolarHBondContact O-CG 3.41Å; A58-R260 HydrophobicContact CB-CG 3.92Å
59M93.3Very high95.7Very high115 Ų11526.4 Ų26.457%0.56715%0.149SC*.THydrogen-bonded Turntrans-86.7-28.6179.5-61.7-53.291.200112Q56 V57 R256Q56-M59 PolarHBondContact O-N 2.91Å; V57-M59 VanDerWaalsContact C-N 3.35Å; M59-R256 PolarHBondContact SD-NH2 2.92Å; M59-R256 VanDerWaalsContact SD-NH2 3.43Å
60N95.5Very high95.4Very high23 Ų2325.7 Ų25.712%0.12315%0.145CC..SBendtrans-127.652.9-178.2-169.618.4000112.8F42 Q56 V57 T62 N63 T64F42-N60 PolarHBondContact O-ND2 2.82Å; Q56-N60 PolarHBondContact O-N 3.47Å; Q56-N60 VanDerWaalsContact O-N 3.13Å; Q56-N60 PolarHBondContact OE1-ND2 3.31Å; V57-N60 CarbonylContact O-C 3.52Å; N60-T62 VanDerWaalsContact C-N 3.31Å; N60-T62 PolarHBondContact O-N 3.4Å; N60-N63 PolarHBondContact O-N 3.44Å; N60-N63 VanDerWaalsContact OD1-CB 3.28Å; N60-N63 WeakPolarHBondContact OD1-CB 3.44Å; N60-N63 PolarHBondContact OD1-ND2 3.46Å; N60-T64 WeakPolarHBondContact O-CB 3.41Å; N60-T64 PolarHBondContact O-N 3.48Å; N60-T64 PolarHBondContact O-OG1 2.9Å
61P95.4Very high95.2Very high12 Ų1225.8 Ų25.88%0.07815%0.146CC..G310 helixtrans-65.6-33.8-170.326.4-35.1000112.4V57 N63 P89 K255 R259V57-P61 WeakPolarHBondContact O-CA 3.33Å; V57-P61 WeakPolarHBondContact O-CB 3.2Å; V57-P61 WeakPolarHBondContact O-CD 3.34Å; V57-P61 VanDerWaalsContact O-N 3.08Å; P61-N63 VanDerWaalsContact C-N 3.33Å; P61-N63 PolarHBondContact O-N 3.14Å; P61-P89 HydrophobicContact CB-CB 3.84Å; P61-P89 HydrophobicContact CB-CG 4.11Å; P61-P89 WeakPolarHBondContact O-CB 3.5Å; P61-P89 WeakPolarHBondContact O-CG 3.22Å; P61-K255 HydrophobicContact CG-CB 4.22Å; P61-R259 HydrophobicContact CB-CB 4.28Å; P61-R259 HydrophobicContact CB-CG 4.49Å
62T96.1Very high95Very high49 Ų4924.6 Ų24.630%0.30114%0.139SC..G310 helixtrans-73-23.1-17747.20000114.1N60 F90 K255N60-T62 VanDerWaalsContact C-N 3.31Å; N60-T62 PolarHBondContact O-N 3.4Å; T62-F90 VanDerWaalsContact O-CB 3.24Å; T62-F90 WeakPolarHBondContact O-CB 3.3Å; T62-K255 HydrophobicContact CG2-CD 3.45Å; T62-K255 VanDerWaalsContact CG2-CD 3.45Å
63N97.7Very high94.7Very high25 Ų2523.7 Ų23.713%0.13413%0.13CC..G310 helixtrans-11417.1-179.9-46.7-53.6000111.9A41 F42 N60 P61 V103 E104A41-N63 WeakPolarHBondContact CA-O 3.41Å; F42-N63 HydrophobicContact CB-CB 4.38Å; F42-N63 PolarHBondContact N-O 3.17Å; F42-N63 WeakPolarHBondContact O-CB 3.47Å; N60-N63 PolarHBondContact O-N 3.44Å; N60-N63 VanDerWaalsContact OD1-CB 3.28Å; N60-N63 WeakPolarHBondContact OD1-CB 3.44Å; N60-N63 PolarHBondContact OD1-ND2 3.46Å; P61-N63 VanDerWaalsContact C-N 3.33Å; P61-N63 PolarHBondContact O-N 3.14Å; N63-V103 HydrophobicContact CB-CB 4.31Å; N63-E104 PolarHBondContact OD1-N 3.03Å
64T98Very high94.3Very high0 Ų025.7 Ų25.70%014%0.138CC..EExtended strand (participates in β ladder)trans-114.2106.5172.9-53.80000109.2Y39 V40 A41 Q56 V57 N60 F90Y39-T64 HydrophobicContact CD1-CG2 3.92Å; V40-T64 CarbonylContact O-C 3.56Å; V40-T64 WeakPolarHBondContact O-CA 3.34Å; A41-T64 HydrophobicContact CB-CG2 3.98Å; Q56-T64 PolarHBondContact NE2-OG1 3.18Å; V57-T64 HydrophobicContact CB-CG2 4Å; V57-T64 HydrophobicContact CG2-CG2 3.67Å; N60-T64 WeakPolarHBondContact O-CB 3.41Å; N60-T64 PolarHBondContact O-N 3.48Å; N60-T64 PolarHBondContact O-OG1 2.9Å; T64-F90 WeakPolarHBondContact O-CD1 3.04Å
65V98.1Very high93.8Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-87.8134.2-179.1-170.30000109.4Y39 V40 F42 A68 F90 I101 V103 I117Y39-V65 WeakPolarHBondContact CA-O 3.15Å; V40-V65 PolarHBondContact N-O 3.05Å; V40-V65 PolarHBondContact O-N 3.22Å; F42-V65 HydrophobicContact CE2-CG2 4.18Å; V65-A68 HydrophobicContact CG1-CB 4.43Å; V65-F90 HydrophobicContact CG1-CE1 4.26Å; V65-F90 HydrophobicContact CG1-CE2 4.29Å; V65-F90 HydrophobicContact CG1-CZ 4.06Å; V65-I101 HydrophobicContact CG1-CD1 4.05Å; V65-I101 HydrophobicContact CG1-CG2 4.09Å; V65-I101 HydrophobicContact CG2-CG2 3.65Å; V65-V103 HydrophobicContact CG2-CG1 3.75Å; V65-I117 HydrophobicContact CB-CG2 4.2Å; V65-I117 HydrophobicContact CG1-CG1 4.28Å; V65-I117 HydrophobicContact CG1-CG2 3.86Å; V65-I117 HydrophobicContact CG2-CD1 4.29Å
66F95.8Very high93.6Very high2 Ų225.1 Ų25.11%0.00913%0.127CC..  trans-142.7169.5173.557.9-85.3000108.4Y39 A68 W88 P89 F90Y39-F66 HydrophobicContact CD1-CB 3.82Å; Y39-F66 HydrophobicContact CD1-CD1 4.43Å; Y39-F66 HydrophobicContact CD1-CG 4.41Å; Y39-F66 HydrophobicContact CD2-CB 3.86Å; Y39-F66 HydrophobicContact CE1-CB 3.62Å; Y39-F66 AromaticContact CE1-CD1 3.91Å; Y39-F66 HydrophobicContact CE1-CD1 3.91Å; Y39-F66 AromaticContact CE1-CG 3.83Å; Y39-F66 HydrophobicContact CE1-CG 3.83Å; Y39-F66 HydrophobicContact CE2-CB 3.65Å; Y39-F66 HydrophobicContact CE2-CG 4.41Å; Y39-F66 HydrophobicContact CG-CB 3.93Å; Y39-F66 AromaticContact CZ-CG 3.81Å; F66-A68 PolarHBondContact O-N 2.71Å; F66-A68 VanDerWaalsContact O-N 3.09Å; F66-W88 AromaticContact CE2-CD1 3.79Å; F66-W88 AromaticContact CZ-CD1 3.94Å; F66-P89 HydrophobicContact CE1-CG 3.87Å; F66-P89 HydrophobicContact CZ-CG 4.33Å; F66-F90 AromaticContact CD1-CE1 3.88Å; F66-F90 HydrophobicContact CD1-CE1 3.88Å; F66-F90 HydrophobicContact CE1-CD1 4.31Å; F66-F90 AromaticContact CE1-CE1 3.83Å; F66-F90 HydrophobicContact CE1-CE1 3.83Å; F66-F90 HydrophobicContact CG-CE1 4.4Å; F66-F90 HydrophobicContact CZ-CE1 4.32Å; F66-F90 WeakPolarHBondContact O-CZ 3.49Å
67D93.9Very high93.4Very high5 Ų527.6 Ų27.63%0.02714%0.141CC..  trans56.122.3-175.7-56-26.7000114.6T11 K69 R70 W88T11-D67 HydrophobicContact CG2-CB 4.06Å; D67-K69 PolarHBondContact O-N 3.27Å; D67-R70 HydrophobicContact CB-CG 4.41Å; D67-R70 WeakPolarHBondContact O-CB 3.28Å; D67-R70 PolarHBondContact O-N 3.1Å; D67-W88 HydrophobicContact CB-CZ2 4.36Å; D67-W88 PolarHBondContact OD2-NE1 3.21Å
68A94.9Very high93Very high8 Ų829.1 Ų29.17%0.06615%0.149CC..G310 helixtrans-56.5-27-178.200000112.7V65 F66 R70 L71 I72 I117V65-A68 HydrophobicContact CG1-CB 4.43Å; F66-A68 PolarHBondContact O-N 2.71Å; F66-A68 VanDerWaalsContact O-N 3.09Å; A68-R70 PolarHBondContact O-N 3.41Å; A68-L71 WeakPolarHBondContact O-CB 3.41Å; A68-L71 PolarHBondContact O-N 3.21Å; A68-I72 PolarHBondContact O-N 2.95Å; A68-I117 HydrophobicContact CB-CB 3.99Å; A68-I117 HydrophobicContact CB-CG2 3.52Å
69K93.8Very high92.9Very high11 Ų1133.1 Ų33.15%0.04817%0.173CC..G310 helixtrans-59-30.4173-167.3179.3-171.2177.60113.5L9 D67 L71 I72 F148 E173L9-K69 WeakPolarHBondContact O-CD 3.28Å; L9-K69 WeakPolarHBondContact O-CE 3.37Å; L9-K69 PolarHBondContact O-NZ 3.15Å; D67-K69 PolarHBondContact O-N 3.27Å; K69-L71 PolarHBondContact O-N 3.43Å; K69-I72 VanDerWaalsContact O-CG2 3.27Å; K69-I72 WeakPolarHBondContact O-CG2 3.39Å; K69-I72 PolarHBondContact O-N 2.88Å; K69-F148 HydrophobicContact CG-CZ 4.05Å; K69-E173 IonicContact NZ-OE1 2.73Å; K69-E173 PolarHBondContact NZ-OE1 3.39Å; K69-E173 IonicContact NZ-OE2 3.63Å
70R92.3Very high92.6Very high11 Ų1128.5 Ų28.54%0.04215%0.152CC..G310 helixtrans-67.2-22.3174.9-69.4-179.2169-106.53.2112.3T11 D67 A68 R74 D84 W88 G201 H225 D230T11-R70 HydrophobicContact CG2-CG 3.97Å; D67-R70 HydrophobicContact CB-CG 4.41Å; D67-R70 WeakPolarHBondContact O-CB 3.28Å; D67-R70 PolarHBondContact O-N 3.1Å; A68-R70 PolarHBondContact O-N 3.41Å; R70-R74 WeakPolarHBondContact O-CD 3.29Å; R70-R74 PolarHBondContact O-NE 2.93Å; R70-D84 WeakPolarHBondContact CD-OD2 3.44Å; R70-D84 IonicContact NH1-OD1 2.77Å; R70-D84 IonicContact NH1-OD2 3.63Å; R70-D84 PolarHBondContact NH1-OD2 2.89Å; R70-D84 VanDerWaalsContact NH1-OD2 3.14Å; R70-W88 HydrophobicContact CB-CZ2 4.41Å; R70-G201 PolarHBondContact NH2-O 2.81Å; R70-H225 PolarHBondContact NH1-CD2 3.42Å; R70-D230 IonicContact NH2-OD1 2.62Å; R70-D230 IonicContact NH2-OD2 2.87Å; R70-D230 PolarHBondContact NH2-OD2 3.07Å
71L93.4Very high92.4Very high2 Ų227.5 Ų27.51%0.0115%0.147CC..THydrogen-bonded Turntrans-95.7-19.7-177.8-64.3175000113.7A68 K69 G73 R74 V81 W88 V92 L99 I101 A114A68-L71 WeakPolarHBondContact O-CB 3.41Å; A68-L71 PolarHBondContact O-N 3.21Å; K69-L71 PolarHBondContact O-N 3.43Å; L71-G73 PolarHBondContact O-N 3.08Å; L71-R74 PolarHBondContact O-N 2.77Å; L71-R74 VanDerWaalsContact O-N 3.17Å; L71-V81 HydrophobicContact CD2-CG1 3.86Å; L71-V81 HydrophobicContact CD2-CG2 4.16Å; L71-W88 HydrophobicContact CD1-CH2 3.97Å; L71-W88 HydrophobicContact CD1-CZ3 3.96Å; L71-W88 HydrophobicContact CD2-CH2 3.37Å; L71-W88 HydrophobicContact CD2-CZ3 3.59Å; L71-W88 HydrophobicContact CG-CH2 3.65Å; L71-W88 HydrophobicContact CG-CZ2 4.4Å; L71-W88 HydrophobicContact CG-CZ3 4.05Å; L71-V92 HydrophobicContact CD1-CG2 4.26Å; L71-L99 HydrophobicContact CB-CD2 4.28Å; L71-L99 HydrophobicContact CD1-CD2 4.16Å; L71-L99 HydrophobicContact CD2-CD1 3.7Å; L71-L99 HydrophobicContact CD2-CD2 4.25Å; L71-L99 HydrophobicContact CG-CD2 4.47Å; L71-I101 HydrophobicContact CD1-CD1 3.79Å; L71-I101 HydrophobicContact CD1-CG1 3.96Å; L71-A114 HydrophobicContact CB-CB 3.67Å
72I91.4Very high92.3Very high0 Ų030.5 Ų30.50%016%0.16CC..THydrogen-bonded Turntrans-59.7129.4-172.5-156.4166.3000111.1A68 K69 R74 A114 E115 F148 Q152 A155 A159A68-I72 PolarHBondContact O-N 2.95Å; K69-I72 VanDerWaalsContact O-CG2 3.27Å; K69-I72 WeakPolarHBondContact O-CG2 3.39Å; K69-I72 PolarHBondContact O-N 2.88Å; I72-R74 PolarHBondContact O-N 3.41Å; I72-A114 HydrophobicContact CB-CB 4.4Å; I72-E115 HydrophobicContact CG1-CG 4.25Å; I72-F148 HydrophobicContact CG2-CE2 3.64Å; I72-F148 HydrophobicContact CG2-CZ 3.79Å; I72-Q152 WeakPolarHBondContact O-CG 3.48Å; I72-A155 HydrophobicContact CD1-CB 4.36Å; I72-A155 HydrophobicContact CG1-CB 3.61Å; I72-A159 HydrophobicContact CD1-CB 4.43Å
73G88.9Confident92.1Very high13 Ų1330.7 Ų30.713%0.13416%0.163CC..THydrogen-bonded Turntrans636.8179.900000116.5L71 S151L71-G73 PolarHBondContact O-N 3.08Å; G73-S151 PolarHBondContact O-OG 3.49Å
74R89.1Confident91.8Very high41 Ų4130.2 Ų30.216%0.15516%0.161CC..  trans-92158.8178.9-67.5-160.4-174.9-95.9-3.9112.6R70 L71 I72 D78 S80 V81 T224 H225R70-R74 WeakPolarHBondContact O-CD 3.29Å; R70-R74 PolarHBondContact O-NE 2.93Å; L71-R74 PolarHBondContact O-N 2.77Å; L71-R74 VanDerWaalsContact O-N 3.17Å; I72-R74 PolarHBondContact O-N 3.41Å; R74-D78 IonicContact CZ-OD2 3.59Å; R74-D78 IonicContact NH1-OD2 3.56Å; R74-D78 PolarHBondContact NH1-OD2 3.37Å; R74-S80 PolarHBondContact NH1-OG 2.91Å; R74-V81 HydrophobicContact CB-CG2 3.84Å; R74-V81 VanDerWaalsContact CD-CG2 3.49Å; R74-V81 HydrophobicContact CG-CG2 4.33Å; R74-T224 PolarHBondContact NH2-OG1 3.36Å; R74-H225 VanDerWaalsContact CZ-CE1 3.44Å; R74-H225 PolarHBondContact NH2-CE1 3Å; R74-H225 PolarHBondContact NH2-NE2 3.49Å
75R87.4Confident91.5Very high100 Ų10032.5 Ų32.538%0.37717%0.172SC..  trans-88152.1171.8-55.9-166.8-48.6-128.1-5.7110.7D77 D78R75-D77 WeakPolarHBondContact CB-OD1 3.18Å; R75-D77 IonicContact CZ-OD1 3.38Å; R75-D77 IonicContact NE-OD1 3.24Å; R75-D77 PolarHBondContact NE-OD1 3.49Å; R75-D77 IonicContact NE-OD2 2.79Å; R75-D77 IonicContact NH2-OD1 2.97Å; R75-D77 IonicContact NH2-OD2 3.94Å; R75-D77 PolarHBondContact O-N 3.45Å; R75-D78 WeakPolarHBondContact O-CB 3.3Å; R75-D78 PolarHBondContact O-N 3.39Å
76F90.8Very high91.2Very high45 Ų4540.2 Ų40.220%0.19721%0.205CC..THydrogen-bonded Turntrans-58.4-36.4175.1-176.8-99.8000112.9D78 Q82 M85 V92 T93 Q94 L99F76-D78 VanDerWaalsContact C-N 3.31Å; F76-D78 PolarHBondContact O-N 3.49Å; F76-Q82 PolarHBondContact O-NE2 3.32Å; F76-M85 HydrophobicContact CE2-CE 3.93Å; F76-M85 HydrophobicContact CE2-SD 4.01Å; F76-M85 HydrophobicContact CZ-CE 4.18Å; F76-V92 HydrophobicContact CD2-CG1 4.39Å; F76-V92 HydrophobicContact CE2-CG1 4.35Å; F76-T93 WeakPolarHBondContact CD2-O 3.43Å; F76-Q94 HydrophobicContact CB-CB 3.92Å; F76-Q94 HydrophobicContact CB-CG 3.84Å; F76-Q94 HydrophobicContact CD1-CB 3.91Å; F76-Q94 HydrophobicContact CD1-CG 4.49Å; F76-Q94 HydrophobicContact CD2-CB 4Å; F76-Q94 HydrophobicContact CE1-CB 4.44Å; F76-Q94 HydrophobicContact CG-CB 3.66Å; F76-Q94 HydrophobicContact CG-CG 4.15Å; F76-L99 HydrophobicContact CD2-CD1 4.46Å; F76-L99 HydrophobicContact CD2-CG 4.43Å
77D89.7Confident90.8Very high92 Ų9242.9 Ų42.949%0.49222%0.218SC..THydrogen-bonded Turntrans-85.43.8-177.568.2-16.5000114.5R75R75-D77 WeakPolarHBondContact CB-OD1 3.18Å; R75-D77 IonicContact CZ-OD1 3.38Å; R75-D77 IonicContact NE-OD1 3.24Å; R75-D77 PolarHBondContact NE-OD1 3.49Å; R75-D77 IonicContact NE-OD2 2.79Å; R75-D77 IonicContact NH2-OD1 2.97Å; R75-D77 IonicContact NH2-OD2 3.94Å; R75-D77 PolarHBondContact O-N 3.45Å
78D87.1Confident90.8Very high35 Ų3543.7 Ų43.719%0.18722%0.221CC..  trans-61.2126175.7-174.3-34.9000109.7R74 R75 F76 S80 V81 Q82R74-D78 IonicContact CZ-OD2 3.59Å; R74-D78 IonicContact NH1-OD2 3.56Å; R74-D78 PolarHBondContact NH1-OD2 3.37Å; R75-D78 WeakPolarHBondContact O-CB 3.3Å; R75-D78 PolarHBondContact O-N 3.39Å; F76-D78 VanDerWaalsContact C-N 3.31Å; F76-D78 PolarHBondContact O-N 3.49Å; D78-S80 PolarHBondContact O-N 2.96Å; D78-S80 VanDerWaalsContact O-N 3.11Å; D78-S80 WeakPolarHBondContact OD1-CB 3.14Å; D78-S80 PolarHBondContact OD1-N 3.17Å; D78-S80 PolarHBondContact OD1-OG 3.32Å; D78-S80 PolarHBondContact OD2-OG 3.23Å; D78-V81 HydrophobicContact CB-CB 4.15Å; D78-V81 HydrophobicContact CB-CG2 3.87Å; D78-V81 WeakPolarHBondContact O-CB 3.43Å; D78-V81 PolarHBondContact O-N 2.89Å; D78-V81 VanDerWaalsContact O-N 3.08Å; D78-Q82 WeakPolarHBondContact O-CG 3.5Å; D78-Q82 PolarHBondContact O-N 3.47Å
79P88.7Confident90.8Very high106 Ų10643.9 Ų43.969%0.68822%0.221SC*.Hα-helixtrans-53.4-32.8179.9-28.335.4000114.1S83P79-S83 PolarHBondContact O-N 3.12Å; P79-S83 VanDerWaalsContact O-N 3.08Å
80S86.6Confident90.9Very high19 Ų1943.8 Ų43.813%0.13322%0.221CC..Hα-helixtrans-70-45.217861.40000112.3R74 D78 Q82 S83 D84 H225R74-S80 PolarHBondContact NH1-OG 2.91Å; D78-S80 PolarHBondContact O-N 2.96Å; D78-S80 VanDerWaalsContact O-N 3.11Å; D78-S80 WeakPolarHBondContact OD1-CB 3.14Å; D78-S80 PolarHBondContact OD1-N 3.17Å; D78-S80 PolarHBondContact OD1-OG 3.32Å; D78-S80 PolarHBondContact OD2-OG 3.23Å; S80-Q82 VanDerWaalsContact C-N 3.3Å; S80-Q82 PolarHBondContact O-N 2.86Å; S80-S83 WeakPolarHBondContact O-CA 3.39Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 2.93Å; S80-D84 PolarHBondContact O-N 2.94Å; S80-H225 WeakPolarHBondContact CB-CE1 3.46Å; S80-H225 WeakPolarHBondContact CB-NE2 3.48Å; S80-H225 PolarHBondContact OG-CE1 3.4Å; S80-H225 PolarHBondContact OG-NE2 2.94Å
81V90.8Very high91Very high1 Ų147.7 Ų47.71%0.00624%0.24CC..Hα-helixtrans-57.8-44.6173.1173.20000110.6L71 R74 D78 S83 D84 M85 L99L71-V81 HydrophobicContact CD2-CG1 3.86Å; L71-V81 HydrophobicContact CD2-CG2 4.16Å; R74-V81 HydrophobicContact CB-CG2 3.84Å; R74-V81 VanDerWaalsContact CD-CG2 3.49Å; R74-V81 HydrophobicContact CG-CG2 4.33Å; D78-V81 HydrophobicContact CB-CB 4.15Å; D78-V81 HydrophobicContact CB-CG2 3.87Å; D78-V81 WeakPolarHBondContact O-CB 3.43Å; D78-V81 PolarHBondContact O-N 2.89Å; D78-V81 VanDerWaalsContact O-N 3.08Å; V81-S83 PolarHBondContact O-N 3.38Å; V81-D84 PolarHBondContact O-N 3.33Å; V81-M85 HydrophobicContact CG1-CG 4.24Å; V81-M85 HydrophobicContact CG1-SD 3.93Å; V81-M85 WeakPolarHBondContact O-CB 3.49Å; V81-M85 WeakPolarHBondContact O-CG 3.36Å; V81-M85 PolarHBondContact O-N 2.89Å; V81-L99 HydrophobicContact CG1-CD1 3.71Å
82Q94.2Very high91.2Very high75 Ų7548.1 Ų48.135%0.3524%0.242SC..Hα-helixtrans-63.3-29.7177.2-67.7-61.9-50.500113.1F76 D78 S80 K86F76-Q82 PolarHBondContact O-NE2 3.32Å; D78-Q82 WeakPolarHBondContact O-CG 3.5Å; D78-Q82 PolarHBondContact O-N 3.47Å; S80-Q82 VanDerWaalsContact C-N 3.3Å; S80-Q82 PolarHBondContact O-N 2.86Å; Q82-K86 WeakPolarHBondContact O-CE 3.49Å
83S91.2Very high91.3Very high54 Ų5449.9 Ų49.938%0.37825%0.253SS..Hα-helixtrans-73.2-51173.5-167.20000111P79 S80 V81 M85 K86P79-S83 PolarHBondContact O-N 3.12Å; P79-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 WeakPolarHBondContact O-CA 3.39Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 2.93Å; V81-S83 PolarHBondContact O-N 3.38Å; S83-M85 VanDerWaalsContact C-N 3.33Å; S83-M85 PolarHBondContact O-N 3.39Å; S83-K86 WeakPolarHBondContact O-CB 3.46Å; S83-K86 PolarHBondContact O-N 2.91Å
84D91.4Very high91.5Very high14 Ų1453.3 Ų53.38%0.07527%0.266CS..Hα-helixtrans-65.2-35.1-175.6-70.9-12.8000112.5R70 S80 V81 K86 H87 W88 H225R70-D84 WeakPolarHBondContact CD-OD2 3.44Å; R70-D84 IonicContact NH1-OD1 2.77Å; R70-D84 IonicContact NH1-OD2 3.63Å; R70-D84 PolarHBondContact NH1-OD2 2.89Å; R70-D84 VanDerWaalsContact NH1-OD2 3.14Å; S80-D84 PolarHBondContact O-N 2.94Å; V81-D84 PolarHBondContact O-N 3.33Å; D84-K86 PolarHBondContact O-N 2.89Å; D84-H87 PolarHBondContact O-N 3.35Å; D84-W88 HydrophobicContact CB-CH2 3.52Å; D84-W88 HydrophobicContact CB-CZ2 3.53Å; D84-W88 HydrophobicContact CB-CZ3 4.2Å; D84-H225 IonicContact OD2-CD2 3.55Å
85M92.9Very high91.5Very high48 Ų4855 Ų5524%0.23628%0.28CS..THydrogen-bonded Turntrans-54.4-24.3174.9-79.117762.100114.1F76 V81 S83 H87 W88 V92F76-M85 HydrophobicContact CE2-CE 3.93Å; F76-M85 HydrophobicContact CE2-SD 4.01Å; F76-M85 HydrophobicContact CZ-CE 4.18Å; V81-M85 HydrophobicContact CG1-CG 4.24Å; V81-M85 HydrophobicContact CG1-SD 3.93Å; V81-M85 WeakPolarHBondContact O-CB 3.49Å; V81-M85 WeakPolarHBondContact O-CG 3.36Å; V81-M85 PolarHBondContact O-N 2.89Å; S83-M85 VanDerWaalsContact C-N 3.33Å; S83-M85 PolarHBondContact O-N 3.39Å; M85-H87 PolarHBondContact O-N 3.07Å; M85-W88 HydrophobicContact CB-CE3 4.28Å; M85-W88 HydrophobicContact CB-CZ3 4.34Å; M85-W88 HydrophobicContact CG-CE3 3.85Å; M85-W88 HydrophobicContact CG-CZ3 3.6Å; M85-V92 HydrophobicContact CE-CB 3.93Å; M85-V92 HydrophobicContact CE-CG1 4.49Å; M85-V92 WeakPolarHBondContact CE-O 3.45Å; M85-V92 HydrophobicContact CG-CB 4.07Å; M85-V92 HydrophobicContact CG-CG2 4.39Å; M85-V92 HydrophobicContact SD-CB 3.99Å; M85-V92 HydrophobicContact SD-CG1 4.1Å
86K90.4Very high91.3Very high162 Ų16254.1 Ų54.170%0.70430%0.302SS*.THydrogen-bonded Turntrans-71-18.5177.6-61.2170.8-173.1166.10112.8Q82 S83 D84Q82-K86 WeakPolarHBondContact O-CE 3.49Å; S83-K86 WeakPolarHBondContact O-CB 3.46Å; S83-K86 PolarHBondContact O-N 2.91Å; D84-K86 PolarHBondContact O-N 2.89Å
87H89.2Confident90.8Very high58 Ų5854.1 Ų54.127%0.26932%0.315SS..THydrogen-bonded Turntrans-103.7-9.7-174.6-60.7-65.3000113.2D84 M85D84-H87 PolarHBondContact O-N 3.35Å; M85-H87 PolarHBondContact O-N 3.07Å
88W93.2Very high90.6Very high22 Ų2251.6 Ų51.68%0.08330%0.3CS..  trans-91.6139.5-179.2-62.3-36.7000113F66 D67 R70 L71 D84 M85 F90 V92F66-W88 AromaticContact CE2-CD1 3.79Å; F66-W88 AromaticContact CZ-CD1 3.94Å; D67-W88 HydrophobicContact CB-CZ2 4.36Å; D67-W88 PolarHBondContact OD2-NE1 3.21Å; R70-W88 HydrophobicContact CB-CZ2 4.41Å; L71-W88 HydrophobicContact CD1-CH2 3.97Å; L71-W88 HydrophobicContact CD1-CZ3 3.96Å; L71-W88 HydrophobicContact CD2-CH2 3.37Å; L71-W88 HydrophobicContact CD2-CZ3 3.59Å; L71-W88 HydrophobicContact CG-CH2 3.65Å; L71-W88 HydrophobicContact CG-CZ2 4.4Å; L71-W88 HydrophobicContact CG-CZ3 4.05Å; D84-W88 HydrophobicContact CB-CH2 3.52Å; D84-W88 HydrophobicContact CB-CZ2 3.53Å; D84-W88 HydrophobicContact CB-CZ3 4.2Å; M85-W88 HydrophobicContact CB-CE3 4.28Å; M85-W88 HydrophobicContact CB-CZ3 4.34Å; M85-W88 HydrophobicContact CG-CE3 3.85Å; M85-W88 HydrophobicContact CG-CZ3 3.6Å; W88-F90 HydrophobicContact CB-CD1 4.19Å; W88-F90 HydrophobicContact CB-CD2 4.21Å; W88-F90 HydrophobicContact CB-CE1 3.86Å; W88-F90 HydrophobicContact CB-CE2 3.89Å; W88-F90 HydrophobicContact CB-CG 4.35Å; W88-F90 HydrophobicContact CB-CZ 3.71Å; W88-F90 AromaticContact CD1-CZ 3.73Å; W88-F90 AromaticContact CD2-CE2 3.81Å; W88-F90 HydrophobicContact CD2-CE2 3.81Å; W88-F90 AromaticContact CD2-CZ 3.63Å; W88-F90 HydrophobicContact CD2-CZ 3.63Å; W88-F90 AromaticContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CZ 4.14Å; W88-F90 AromaticContact CG-CE1 3.87Å; W88-F90 HydrophobicContact CG-CE1 3.87Å; W88-F90 AromaticContact CG-CE2 3.84Å; W88-F90 HydrophobicContact CG-CE2 3.84Å; W88-F90 AromaticContact CG-CZ 3.4Å; W88-F90 HydrophobicContact CG-CZ 3.4Å; W88-F90 VanDerWaalsContact CG-CZ 3.4Å; W88-V92 HydrophobicContact CE3-CG2 3.87Å; W88-V92 HydrophobicContact CZ3-CG2 4.06Å
89P94.1Very high90.8Very high13 Ų1350.5 Ų50.58%0.08429%0.294CS..SBendtrans-77.5-24.1173.730.3-35000113.4P61 F66 K255P61-P89 HydrophobicContact CB-CB 3.84Å; P61-P89 HydrophobicContact CB-CG 4.11Å; P61-P89 WeakPolarHBondContact O-CB 3.5Å; P61-P89 WeakPolarHBondContact O-CG 3.22Å; F66-P89 HydrophobicContact CE1-CG 3.87Å; F66-P89 HydrophobicContact CZ-CG 4.33Å; P89-K255 HydrophobicContact CB-CB 4.43Å; P89-K255 HydrophobicContact CB-CD 4.32Å; P89-K255 WeakPolarHBondContact O-CD 3.49Å; P89-K255 WeakPolarHBondContact O-CE 3.39Å; P89-K255 PolarHBondContact O-NZ 3.32Å
90F95.7Very high91.1Very high9 Ų946.7 Ų46.74%0.03927%0.267CS..SBendtrans-86.2157.2179.753.1-97.3000111.8T62 T64 V65 F66 W88 V92 I101T62-F90 VanDerWaalsContact O-CB 3.24Å; T62-F90 WeakPolarHBondContact O-CB 3.3Å; T64-F90 WeakPolarHBondContact O-CD1 3.04Å; V65-F90 HydrophobicContact CG1-CE1 4.26Å; V65-F90 HydrophobicContact CG1-CE2 4.29Å; V65-F90 HydrophobicContact CG1-CZ 4.06Å; F66-F90 AromaticContact CD1-CE1 3.88Å; F66-F90 HydrophobicContact CD1-CE1 3.88Å; F66-F90 HydrophobicContact CE1-CD1 4.31Å; F66-F90 AromaticContact CE1-CE1 3.83Å; F66-F90 HydrophobicContact CE1-CE1 3.83Å; F66-F90 HydrophobicContact CG-CE1 4.4Å; F66-F90 HydrophobicContact CZ-CE1 4.32Å; F66-F90 WeakPolarHBondContact O-CZ 3.49Å; W88-F90 HydrophobicContact CB-CD1 4.19Å; W88-F90 HydrophobicContact CB-CD2 4.21Å; W88-F90 HydrophobicContact CB-CE1 3.86Å; W88-F90 HydrophobicContact CB-CE2 3.89Å; W88-F90 HydrophobicContact CB-CG 4.35Å; W88-F90 HydrophobicContact CB-CZ 3.71Å; W88-F90 AromaticContact CD1-CZ 3.73Å; W88-F90 AromaticContact CD2-CE2 3.81Å; W88-F90 HydrophobicContact CD2-CE2 3.81Å; W88-F90 AromaticContact CD2-CZ 3.63Å; W88-F90 HydrophobicContact CD2-CZ 3.63Å; W88-F90 AromaticContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CE2 3.83Å; W88-F90 HydrophobicContact CE3-CZ 4.14Å; W88-F90 AromaticContact CG-CE1 3.87Å; W88-F90 HydrophobicContact CG-CE1 3.87Å; W88-F90 AromaticContact CG-CE2 3.84Å; W88-F90 HydrophobicContact CG-CE2 3.84Å; W88-F90 AromaticContact CG-CZ 3.4Å; W88-F90 HydrophobicContact CG-CZ 3.4Å; W88-F90 VanDerWaalsContact CG-CZ 3.4Å; F90-V92 HydrophobicContact CD2-CG2 3.92Å; F90-V92 HydrophobicContact CE2-CG2 3.81Å; F90-I101 HydrophobicContact CD2-CG2 3.9Å; F90-I101 HydrophobicContact CE2-CG2 4.34Å
91E95.8Very high91.7Very high93 Ų9345.8 Ų45.844%0.43526%0.26SS..EExtended strand (participates in β ladder)trans-86.7132.7-179.3176.6-166.517300110.1C102 K109E91-C102 HydrophobicContact CB-CB 3.89Å; E91-C102 HydrophobicContact CG-CB 4.07Å; E91-C102 PolarHBondContact O-N 2.91Å; E91-K109 IonicContact OE1-NZ 2.93Å; E91-K109 IonicContact OE2-NZ 2.88Å; E91-K109 PolarHBondContact OE2-NZ 3.41Å
92V96.4Very high92Very high10 Ų1046 Ų466%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-116129.4169.3-179.40000108L71 F76 M85 W88 F90 L99 K100 I101L71-V92 HydrophobicContact CD1-CG2 4.26Å; F76-V92 HydrophobicContact CD2-CG1 4.39Å; F76-V92 HydrophobicContact CE2-CG1 4.35Å; M85-V92 HydrophobicContact CE-CB 3.93Å; M85-V92 HydrophobicContact CE-CG1 4.49Å; M85-V92 WeakPolarHBondContact CE-O 3.45Å; M85-V92 HydrophobicContact CG-CB 4.07Å; M85-V92 HydrophobicContact CG-CG2 4.39Å; M85-V92 HydrophobicContact SD-CB 3.99Å; M85-V92 HydrophobicContact SD-CG1 4.1Å; W88-V92 HydrophobicContact CE3-CG2 3.87Å; W88-V92 HydrophobicContact CZ3-CG2 4.06Å; F90-V92 HydrophobicContact CD2-CG2 3.92Å; F90-V92 HydrophobicContact CE2-CG2 3.81Å; V92-L99 HydrophobicContact CG1-CD1 3.74Å; V92-L99 HydrophobicContact CG1-CD2 3.58Å; V92-L99 HydrophobicContact CG1-CG 3.51Å; V92-K100 CarbonylContact C-O 3.59Å; V92-K100 WeakPolarHBondContact CA-O 3.49Å; V92-I101 HydrophobicContact CG2-CG1 4.37Å
93T94.9Very high92.1Very high37 Ų3742.6 Ų42.623%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-133.3-179.8-175.9-165.10000111.1F76 V95 L99 K100 C102F76-T93 WeakPolarHBondContact CD2-O 3.43Å; T93-V95 HydrophobicContact CG2-CG2 4.37Å; T93-L99 CarbonylContact O-C 3.49Å; T93-L99 WeakPolarHBondContact O-CA 3.46Å; T93-K100 HydrophobicContact CG2-CB 4.13Å; T93-K100 PolarHBondContact N-O 3.48Å; T93-K100 PolarHBondContact O-N 2.71Å; T93-C102 WeakPolarHBondContact CG2-SG 3.33Å
94Q91.9Very high92.4Very high86 Ų8644.5 Ų44.540%0.40225%0.249SC..EExtended strand (participates in β ladder)trans-123.7128176.3-164.8178.215.500110.8F76 G97 K98F76-Q94 HydrophobicContact CB-CB 3.92Å; F76-Q94 HydrophobicContact CB-CG 3.84Å; F76-Q94 HydrophobicContact CD1-CB 3.91Å; F76-Q94 HydrophobicContact CD1-CG 4.49Å; F76-Q94 HydrophobicContact CD2-CB 4Å; F76-Q94 HydrophobicContact CE1-CB 4.44Å; F76-Q94 HydrophobicContact CG-CB 3.66Å; F76-Q94 HydrophobicContact CG-CG 4.15Å; Q94-G97 VanDerWaalsContact NE2-C 3.31Å; Q94-G97 VanDerWaalsContact NE2-CA 3.34Å; Q94-G97 PolarHBondContact NE2-O 2.98Å; Q94-K98 CarbonylContact C-O 3.6Å; Q94-K98 VanDerWaalsContact CA-O 3.29Å; Q94-K98 WeakPolarHBondContact CA-O 3.3Å
95V88.7Confident92.6Very high75 Ų7544.1 Ų44.146%0.45525%0.247SC..EExtended strand (participates in β ladder)trans-128.3125174.5-178.10000108.8T93 G97 K98 K100 M111T93-V95 HydrophobicContact CG2-CG2 4.37Å; V95-G97 PolarHBondContact O-N 3.39Å; V95-G97 VanDerWaalsContact O-N 3.17Å; V95-K98 PolarHBondContact N-O 2.93Å; V95-K98 PolarHBondContact O-N 2.98Å; V95-K100 HydrophobicContact CB-CG 4.24Å; V95-K100 HydrophobicContact CG2-CG 4.28Å; V95-M111 HydrophobicContact CG2-SD 3.79Å
96G83.1Confident92.6Very high82 Ų8246 Ų4685%0.84525%0.253SS*.THydrogen-bonded Turntrans58.929.7179.300000113.8K98G96-K98 VanDerWaalsContact C-N 3.29Å; G96-K98 PolarHBondContact O-N 3.29Å
97G81.4Confident92.6Very high46 Ų4640.7 Ų40.747%0.47425%0.245SC..THydrogen-bonded Turntrans85.6-9.9-175.900000115Q94 V95Q94-G97 VanDerWaalsContact NE2-C 3.31Å; Q94-G97 VanDerWaalsContact NE2-CA 3.34Å; Q94-G97 PolarHBondContact NE2-O 2.98Å; V95-G97 PolarHBondContact O-N 3.39Å; V95-G97 VanDerWaalsContact O-N 3.17Å
98K84.3Confident92.8Very high38 Ų3843.3 Ų43.317%0.16526%0.257CS..EExtended strand (participates in β ladder)trans-101.7144.1-177.7-58.7-175.3-173.2176.70112Q94 V95 G96 R507 E512Q94-K98 CarbonylContact C-O 3.6Å; Q94-K98 VanDerWaalsContact CA-O 3.29Å; Q94-K98 WeakPolarHBondContact CA-O 3.3Å; V95-K98 PolarHBondContact N-O 2.93Å; V95-K98 PolarHBondContact O-N 2.98Å; G96-K98 VanDerWaalsContact C-N 3.29Å; G96-K98 PolarHBondContact O-N 3.29Å; K98-R507 WeakPolarHBondContact CE-O 3.21Å; K98-R507 PolarHBondContact NZ-O 3.4Å; K98-E512 IonicContact NZ-OE1 3.9Å; K98-E512 PolarHBondContact NZ-OE1 3.33Å; K98-E512 IonicContact NZ-OE2 2.73Å; K98-E512 PolarHBondContact NZ-OE2 3.19Å
99L92.2Very high93Very high13 Ų1348.1 Ų48.17%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-69.1135.6174.8-174.2151.5000110.4L71 F76 V81 V92 T93 I101L71-L99 HydrophobicContact CB-CD2 4.28Å; L71-L99 HydrophobicContact CD1-CD2 4.16Å; L71-L99 HydrophobicContact CD2-CD1 3.7Å; L71-L99 HydrophobicContact CD2-CD2 4.25Å; L71-L99 HydrophobicContact CG-CD2 4.47Å; F76-L99 HydrophobicContact CD2-CD1 4.46Å; F76-L99 HydrophobicContact CD2-CG 4.43Å; V81-L99 HydrophobicContact CG1-CD1 3.71Å; V92-L99 HydrophobicContact CG1-CD1 3.74Å; V92-L99 HydrophobicContact CG1-CD2 3.58Å; V92-L99 HydrophobicContact CG1-CG 3.51Å; T93-L99 CarbonylContact O-C 3.49Å; T93-L99 WeakPolarHBondContact O-CA 3.46Å; L99-I101 HydrophobicContact CD2-CG1 4.29Å
100K95.4Very high93.1Very high25 Ų2550.2 Ų50.211%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-134.6137.1176.9-71.5-64.8-174.3170.80111V92 T93 V95 M111 F112 E116V92-K100 CarbonylContact C-O 3.59Å; V92-K100 WeakPolarHBondContact CA-O 3.49Å; T93-K100 HydrophobicContact CG2-CB 4.13Å; T93-K100 PolarHBondContact N-O 3.48Å; T93-K100 PolarHBondContact O-N 2.71Å; V95-K100 HydrophobicContact CB-CG 4.24Å; V95-K100 HydrophobicContact CG2-CG 4.28Å; K100-M111 HydrophobicContact CB-CB 4.27Å; K100-M111 HydrophobicContact CD-CB 4.49Å; K100-M111 HydrophobicContact CG-CB 4.5Å; K100-F112 CarbonylContact C-O 3.59Å; K100-F112 WeakPolarHBondContact CA-O 3.43Å; K100-F112 WeakPolarHBondContact CD-O 3.5Å; K100-E116 IonicContact NZ-OE2 3.58Å; K100-E116 PolarHBondContact NZ-OE2 2.95Å
101I97.7Very high93.1Very high0 Ų054 Ų540%031%0.305CS..EExtended strand (participates in β ladder)trans-94.8121.8175.3-58.5160.4000107.3V65 L71 F90 V92 L99 V103 M111 F112 I117V65-I101 HydrophobicContact CG1-CD1 4.05Å; V65-I101 HydrophobicContact CG1-CG2 4.09Å; V65-I101 HydrophobicContact CG2-CG2 3.65Å; L71-I101 HydrophobicContact CD1-CD1 3.79Å; L71-I101 HydrophobicContact CD1-CG1 3.96Å; F90-I101 HydrophobicContact CD2-CG2 3.9Å; F90-I101 HydrophobicContact CE2-CG2 4.34Å; V92-I101 HydrophobicContact CG2-CG1 4.37Å; L99-I101 HydrophobicContact CD2-CG1 4.29Å; I101-V103 HydrophobicContact CG2-CG1 4.33Å; I101-M111 WeakPolarHBondContact O-CA 3.38Å; I101-F112 PolarHBondContact N-O 3.21Å; I101-F112 PolarHBondContact O-N 3.44Å; I101-I117 HydrophobicContact CD1-CG1 3.81Å
102C97.5Very high93.1Very high5 Ų549.7 Ų49.73%0.03429%0.285CS..EExtended strand (participates in β ladder)trans-97.5123.8-176.8-73.70000110.2E91 T93 K110E91-C102 HydrophobicContact CB-CB 3.89Å; E91-C102 HydrophobicContact CG-CB 4.07Å; E91-C102 PolarHBondContact O-N 2.91Å; T93-C102 WeakPolarHBondContact CG2-SG 3.33Å; C102-K110 WeakPolarHBondContact CA-O 3.42Å
103V97.7Very high93Very high4 Ų449.3 Ų49.32%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-138.3158.4176.7-61.60000110.1F42 N63 V65 I101 K109 K110 F112F42-V103 HydrophobicContact CB-CG2 4.28Å; F42-V103 HydrophobicContact CD1-CG2 4.3Å; F42-V103 HydrophobicContact CD2-CB 4Å; F42-V103 HydrophobicContact CD2-CG1 3.98Å; F42-V103 HydrophobicContact CD2-CG2 3.62Å; F42-V103 HydrophobicContact CE2-CG1 4.3Å; F42-V103 HydrophobicContact CE2-CG2 3.96Å; F42-V103 HydrophobicContact CG-CB 4.39Å; F42-V103 HydrophobicContact CG-CG2 3.8Å; F42-V103 HydrophobicContact CZ-CG2 4.44Å; N63-V103 HydrophobicContact CB-CB 4.31Å; V65-V103 HydrophobicContact CG2-CG1 3.75Å; I101-V103 HydrophobicContact CG2-CG1 4.33Å; V103-K109 WeakPolarHBondContact O-CA 3.4Å; V103-K110 HydrophobicContact CG2-CB 4.32Å; V103-K110 PolarHBondContact N-O 3.26Å; V103-K110 PolarHBondContact O-N 3.38Å; V103-F112 HydrophobicContact CG2-CD2 3.69Å; V103-F112 HydrophobicContact CG2-CE2 3.5Å; V103-F112 VanDerWaalsContact CG2-CE2 3.5Å
104E97.4Very high93.1Very high95 Ų9547.7 Ų47.744%0.44427%0.274SS..EExtended strand (participates in β ladder)trans-95.1127.6166.9-167.1172.5157.600109.5N63 E108N63-E104 PolarHBondContact OD1-N 3.03Å; E104-E108 WeakPolarHBondContact CA-O 3.42Å
105Y95.5Very high93.2Very high5 Ų544.3 Ų44.32%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-136.3123.5177.7-178.5-130.9000109.1F42 T43 E46 R47 G107 E108 Y523F42-Y105 HydrophobicContact CB-CD2 3.89Å; F42-Y105 HydrophobicContact CB-CG 4.22Å; F42-Y105 HydrophobicContact CD1-CD1 4.45Å; F42-Y105 HydrophobicContact CD1-CD2 4.01Å; F42-Y105 AromaticContact CD1-CG 3.92Å; F42-Y105 HydrophobicContact CD1-CG 3.92Å; F42-Y105 HydrophobicContact CG-CD2 4.47Å; T43-Y105 WeakPolarHBondContact O-CD2 3.17Å; E46-Y105 WeakPolarHBondContact O-CE2 3.1Å; R47-Y105 HydrophobicContact CG-CD2 4.37Å; R47-Y105 HydrophobicContact CG-CE1 4.27Å; R47-Y105 HydrophobicContact CG-CE2 3.7Å; Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 3.35Å; Y105-E108 PolarHBondContact N-O 2.93Å; Y105-E108 PolarHBondContact O-N 2.85Å; Y105-Y523 HydrophobicContact CD1-CE1 4.38Å; Y105-Y523 HydrophobicContact CE1-CD1 4.2Å; Y105-Y523 AromaticContact CE1-CE1 3.99Å; Y105-Y523 HydrophobicContact CE1-CE1 3.99Å
106K91.9Very high93.6Very high87 Ų8741.5 Ų41.538%0.37824%0.24SC..THydrogen-bonded Turntrans52.342.4-175.7-62.1178.7171.7169.60113.1T43 D44 S45 E108 E526T43-K106 PolarHBondContact O-N 3.1Å; T43-K106 VanDerWaalsContact O-N 3.12Å; D44-K106 WeakPolarHBondContact O-CG 3.44Å; S45-K106 VanDerWaalsContact O-CE 3.27Å; S45-K106 WeakPolarHBondContact O-CE 3.4Å; K106-E108 PolarHBondContact O-N 3.13Å; K106-E526 IonicContact NZ-OE2 3.54Å; K106-E526 PolarHBondContact NZ-OE2 3.39Å
107G90.3Very high94.3Very high51 Ų5137.7 Ų37.753%0.52620%0.2SC..THydrogen-bonded Turntrans70.85.7-178.200000115.5Y105Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 3.35Å
108E94.6Very high95.1Very high113 Ų11335.7 Ų35.753%0.52818%0.179SC..EExtended strand (participates in β ladder)trans-114137.2178.1-66-175.1171.900111.4E104 Y105 K106 K110E104-E108 WeakPolarHBondContact CA-O 3.42Å; Y105-E108 PolarHBondContact N-O 2.93Å; Y105-E108 PolarHBondContact O-N 2.85Å; K106-E108 PolarHBondContact O-N 3.13Å; E108-K110 PolarHBondContact O-N 3.26Å; E108-K110 WeakPolarHBondContact OE2-CE 3.47Å; E108-K110 IonicContact OE2-NZ 3.55Å; E108-K110 PolarHBondContact OE2-NZ 2.87Å
109K96.3Very high95.7Very high124 Ų12434.1 Ų34.154%0.53917%0.172SC..EExtended strand (participates in β ladder)trans-68.9118.9170.2-169.2171.8-172.8169.30109.5E91 V103E91-K109 IonicContact OE1-NZ 2.93Å; E91-K109 IonicContact OE2-NZ 2.88Å; E91-K109 PolarHBondContact OE2-NZ 3.41Å; V103-K109 WeakPolarHBondContact O-CA 3.4Å
110K95.5Very high96Very high56 Ų5633.9 Ų33.924%0.24317%0.171CC..EExtended strand (participates in β ladder)trans-111153.3173.8-60.3-61.3-177.4-167.60110.6C102 V103 E108 F112C102-K110 WeakPolarHBondContact CA-O 3.42Å; V103-K110 HydrophobicContact CG2-CB 4.32Å; V103-K110 PolarHBondContact N-O 3.26Å; V103-K110 PolarHBondContact O-N 3.38Å; E108-K110 PolarHBondContact O-N 3.26Å; E108-K110 WeakPolarHBondContact OE2-CE 3.47Å; E108-K110 IonicContact OE2-NZ 3.55Å; E108-K110 PolarHBondContact OE2-NZ 2.87Å; K110-F112 HydrophobicContact CB-CD2 4.32Å; K110-F112 HydrophobicContact CB-CE2 3.56Å; K110-F112 HydrophobicContact CB-CZ 3.84Å; K110-F112 HydrophobicContact CG-CE2 4.41Å; K110-F112 HydrophobicContact CG-CZ 4.34Å
111M96.2Very high96.1Very high88 Ų8833 Ų3343%0.43317%0.167SC..EExtended strand (participates in β ladder)trans-128.7112.4179.4-69.3-176.6-178.600109.6V95 K100 I101V95-M111 HydrophobicContact CG2-SD 3.79Å; K100-M111 HydrophobicContact CB-CB 4.27Å; K100-M111 HydrophobicContact CD-CB 4.49Å; K100-M111 HydrophobicContact CG-CB 4.5Å; I101-M111 WeakPolarHBondContact O-CA 3.38Å
112F96.4Very high96.1Very high3 Ų333 Ų331%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-107.6145.7-179.6-62.6-74.2000110.4F42 K100 I101 V103 K110 E116 I117 M120 Y523F42-F112 AromaticContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CE2 3.96Å; F42-F112 HydrophobicContact CD1-CZ 4.28Å; F42-F112 HydrophobicContact CE1-CD2 4.1Å; F42-F112 HydrophobicContact CE1-CE1 4.41Å; F42-F112 AromaticContact CE1-CE2 3.35Å; F42-F112 HydrophobicContact CE1-CE2 3.35Å; F42-F112 AromaticContact CE1-CZ 3.54Å; F42-F112 HydrophobicContact CE1-CZ 3.54Å; F42-F112 HydrophobicContact CE2-CD2 4.25Å; F42-F112 HydrophobicContact CE2-CE2 4.17Å; F42-F112 AromaticContact CZ-CD2 3.73Å; F42-F112 HydrophobicContact CZ-CD2 3.73Å; F42-F112 AromaticContact CZ-CE2 3.47Å; F42-F112 HydrophobicContact CZ-CE2 3.47Å; F42-F112 VanDerWaalsContact CZ-CE2 3.47Å; F42-F112 HydrophobicContact CZ-CG 4.42Å; F42-F112 AromaticContact CZ-CZ 3.98Å; F42-F112 HydrophobicContact CZ-CZ 3.98Å; K100-F112 CarbonylContact C-O 3.59Å; K100-F112 WeakPolarHBondContact CA-O 3.43Å; K100-F112 WeakPolarHBondContact CD-O 3.5Å; I101-F112 PolarHBondContact N-O 3.21Å; I101-F112 PolarHBondContact O-N 3.44Å; V103-F112 HydrophobicContact CG2-CD2 3.69Å; V103-F112 HydrophobicContact CG2-CE2 3.5Å; V103-F112 VanDerWaalsContact CG2-CE2 3.5Å; K110-F112 HydrophobicContact CB-CD2 4.32Å; K110-F112 HydrophobicContact CB-CE2 3.56Å; K110-F112 HydrophobicContact CB-CZ 3.84Å; K110-F112 HydrophobicContact CG-CE2 4.41Å; K110-F112 HydrophobicContact CG-CZ 4.34Å; F112-E116 WeakPolarHBondContact CA-OE2 3.47Å; F112-E116 HydrophobicContact CB-CB 4.15Å; F112-E116 HydrophobicContact CD1-CB 4.17Å; F112-I117 HydrophobicContact CB-CD1 3.75Å; F112-I117 HydrophobicContact CB-CG1 4Å; F112-I117 HydrophobicContact CD2-CD1 4.17Å; F112-I117 HydrophobicContact CG-CD1 4.01Å; F112-M120 HydrophobicContact CD1-CE 3.87Å; F112-M120 HydrophobicContact CE1-CE 3.82Å; F112-M120 HydrophobicContact CG-CE 4.47Å; F112-M120 HydrophobicContact CZ-CE 4.38Å; F112-Y523 AromaticContact CE1-CE2 3.85Å; F112-Y523 HydrophobicContact CE1-CE2 3.85Å; F112-Y523 HydrophobicContact CZ-CE2 4.39Å
113S95.1Very high96.1Very high3 Ų334 Ų342%0.02117%0.174CC..  trans-76.4167.2164.180.70000110.5E115 E116 I117S113-E115 WeakPolarHBondContact CB-OE2 3.34Å; S113-E115 PolarHBondContact O-N 3.3Å; S113-E115 PolarHBondContact OG-N 3.33Å; S113-E115 PolarHBondContact OG-OE2 3.03Å; S113-E116 PolarHBondContact N-OE2 3.33Å; S113-E116 PolarHBondContact O-N 2.92Å; S113-E116 PolarHBondContact OG-N 2.89Å; S113-I117 PolarHBondContact O-N 3.33Å
114A95.5Very high96.1Very high3 Ų335 Ų353%0.02518%0.178CC..Hα-helixtrans-62.7-35.7174.600000111.4L71 I72 I117 S118L71-A114 HydrophobicContact CB-CB 3.67Å; I72-A114 HydrophobicContact CB-CB 4.4Å; A114-I117 PolarHBondContact O-N 2.75Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 2.98Å; A114-S118 PolarHBondContact O-OG 3.21Å
115E95.3Very high96.1Very high15 Ų1530.5 Ų30.57%0.0716%0.157CC..Hα-helixtrans-62.9-40.2175.4-5780.3-178.900112I72 S113 S118 S119 A155 A159 I162 L508I72-E115 HydrophobicContact CG1-CG 4.25Å; S113-E115 WeakPolarHBondContact CB-OE2 3.34Å; S113-E115 PolarHBondContact O-N 3.3Å; S113-E115 PolarHBondContact OG-N 3.33Å; S113-E115 PolarHBondContact OG-OE2 3.03Å; E115-S118 PolarHBondContact O-N 2.98Å; E115-S119 VanDerWaalsContact O-CB 3.28Å; E115-S119 WeakPolarHBondContact O-CB 3.33Å; E115-S119 PolarHBondContact O-N 2.88Å; E115-S119 PolarHBondContact O-OG 3.36Å; E115-A155 HydrophobicContact CG-CB 3.82Å; E115-A155 WeakPolarHBondContact CG-O 3.5Å; E115-A155 WeakPolarHBondContact OE1-CB 3.39Å; E115-A159 HydrophobicContact CB-CB 4.21Å; E115-A159 WeakPolarHBondContact O-CB 3.37Å; E115-I162 HydrophobicContact CB-CD1 4.18Å; E115-L508 HydrophobicContact CB-CD1 4.03Å; E115-L508 HydrophobicContact CG-CD1 4.24Å
116E95.9Very high96.2Very high16 Ų1631.5 Ų31.58%0.07516%0.161CC..Hα-helixtrans-64.9-39.4175.1-68.1174.292.800111.6K100 F112 S113 S119 M120 M516K100-E116 IonicContact NZ-OE2 3.58Å; K100-E116 PolarHBondContact NZ-OE2 2.95Å; F112-E116 WeakPolarHBondContact CA-OE2 3.47Å; F112-E116 HydrophobicContact CB-CB 4.15Å; F112-E116 HydrophobicContact CD1-CB 4.17Å; S113-E116 PolarHBondContact N-OE2 3.33Å; S113-E116 PolarHBondContact O-N 2.92Å; S113-E116 PolarHBondContact OG-N 2.89Å; E116-S119 PolarHBondContact O-OG 2.8Å; E116-M120 VanDerWaalsContact O-CG 3.31Å; E116-M120 WeakPolarHBondContact O-CG 3.45Å; E116-M120 PolarHBondContact O-N 3.17Å; E116-M516 VanDerWaalsContact CD-CE 3.41Å; E116-M516 HydrophobicContact CG-CB 4.47Å; E116-M516 HydrophobicContact CG-CE 3.82Å; E116-M516 HydrophobicContact CG-CG 3.83Å; E116-M516 HydrophobicContact CG-SD 3.46Å; E116-M516 WeakPolarHBondContact CG-SD 3.05Å; E116-M516 WeakPolarHBondContact OE2-CE 3.37Å
117I97.9Very high96.4Very high2 Ų230.8 Ų30.81%0.0116%0.159CC..Hα-helixtrans-70.2-44.1175.7-60.9-59.2000110.9V40 F42 V65 A68 I101 F112 S113 A114 S119 M120 V121V40-I117 HydrophobicContact CB-CG2 4.16Å; V40-I117 HydrophobicContact CG2-CG2 3.86Å; F42-I117 HydrophobicContact CE2-CD1 3.77Å; F42-I117 HydrophobicContact CZ-CD1 3.66Å; V65-I117 HydrophobicContact CB-CG2 4.2Å; V65-I117 HydrophobicContact CG1-CG1 4.28Å; V65-I117 HydrophobicContact CG1-CG2 3.86Å; V65-I117 HydrophobicContact CG2-CD1 4.29Å; A68-I117 HydrophobicContact CB-CB 3.99Å; A68-I117 HydrophobicContact CB-CG2 3.52Å; I101-I117 HydrophobicContact CD1-CG1 3.81Å; F112-I117 HydrophobicContact CB-CD1 3.75Å; F112-I117 HydrophobicContact CB-CG1 4Å; F112-I117 HydrophobicContact CD2-CD1 4.17Å; F112-I117 HydrophobicContact CG-CD1 4.01Å; S113-I117 PolarHBondContact O-N 3.33Å; A114-I117 PolarHBondContact O-N 2.75Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 2.84Å; I117-M120 HydrophobicContact CD1-CE 4.42Å; I117-M120 HydrophobicContact CD1-SD 4.43Å; I117-M120 WeakPolarHBondContact O-CB 3.42Å; I117-M120 PolarHBondContact O-N 3.19Å; I117-V121 PolarHBondContact O-N 3.36Å
118S97.9Very high96.8Very high4 Ų428.8 Ų28.83%0.02814%0.137CC..Hα-helixtrans-63.1-36.1176.7-72.40000112.2A114 E115 M120 V121 L122A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 2.98Å; A114-S118 PolarHBondContact O-OG 3.21Å; E115-S118 PolarHBondContact O-N 2.98Å; S118-M120 VanDerWaalsContact C-N 3.3Å; S118-M120 PolarHBondContact O-N 3.29Å; S118-V121 PolarHBondContact O-N 2.67Å; S118-L122 WeakPolarHBondContact O-CG 3.44Å; S118-L122 PolarHBondContact O-N 3.11Å
119S97.2Very high96.9Very high4 Ų423.4 Ų23.43%0.02811%0.112CC..Hα-helixtrans-66.5-31.3176.874.80000112.5E115 E116 I117 L122 T123 A159 I162E115-S119 VanDerWaalsContact O-CB 3.28Å; E115-S119 WeakPolarHBondContact O-CB 3.33Å; E115-S119 PolarHBondContact O-N 2.88Å; E115-S119 PolarHBondContact O-OG 3.36Å; E116-S119 PolarHBondContact O-OG 2.8Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 2.84Å; S119-L122 PolarHBondContact O-N 2.72Å; S119-T123 WeakPolarHBondContact O-CB 3.38Å; S119-T123 PolarHBondContact O-N 2.82Å; S119-T123 PolarHBondContact O-OG1 3.33Å; S119-A159 WeakPolarHBondContact CB-O 3.27Å; S119-I162 WeakPolarHBondContact OG-CG2 3.23Å
120M98Very high96.9Very high9 Ų919.2 Ų19.24%0.0449%0.094CC..Hα-helixtrans-64.6-42.1172.5-65.3175-156.600111V40 F42 R47 I49 F112 E116 I117 S118 T123 K124V40-M120 HydrophobicContact CG1-CB 4.4Å; V40-M120 HydrophobicContact CG1-SD 3.61Å; V40-M120 HydrophobicContact CG2-CB 4.06Å; F42-M120 HydrophobicContact CE1-CE 4.18Å; F42-M120 HydrophobicContact CE1-SD 4.13Å; F42-M120 HydrophobicContact CZ-CE 3.99Å; F42-M120 HydrophobicContact CZ-SD 3.79Å; R47-M120 PolarHBondContact NH1-SD 3.17Å; I49-M120 HydrophobicContact CD1-CB 3.97Å; I49-M120 HydrophobicContact CG1-CB 4.5Å; F112-M120 HydrophobicContact CD1-CE 3.87Å; F112-M120 HydrophobicContact CE1-CE 3.82Å; F112-M120 HydrophobicContact CG-CE 4.47Å; F112-M120 HydrophobicContact CZ-CE 4.38Å; E116-M120 VanDerWaalsContact O-CG 3.31Å; E116-M120 WeakPolarHBondContact O-CG 3.45Å; E116-M120 PolarHBondContact O-N 3.17Å; I117-M120 HydrophobicContact CD1-CE 4.42Å; I117-M120 HydrophobicContact CD1-SD 4.43Å; I117-M120 WeakPolarHBondContact O-CB 3.42Å; I117-M120 PolarHBondContact O-N 3.19Å; S118-M120 VanDerWaalsContact C-N 3.3Å; S118-M120 PolarHBondContact O-N 3.29Å; M120-T123 WeakPolarHBondContact O-CB 3.29Å; M120-T123 PolarHBondContact O-N 3.35Å; M120-K124 PolarHBondContact O-N 2.9Å
121V98.4Very high96.9Very high5 Ų521.7 Ų21.73%0.0312%0.118CC..Hα-helixtrans-63.7-44174-178.40000111L9 S14 V40 I117 S118 T123 K124 M125L9-V121 HydrophobicContact CD1-CB 4.17Å; L9-V121 HydrophobicContact CD1-CG1 3.95Å; S14-V121 WeakPolarHBondContact OG-CG1 3.49Å; V40-V121 HydrophobicContact CG2-CG2 3.84Å; I117-V121 PolarHBondContact O-N 3.36Å; S118-V121 PolarHBondContact O-N 2.67Å; V121-T123 VanDerWaalsContact C-N 3.3Å; V121-T123 PolarHBondContact O-N 3.24Å; V121-K124 WeakPolarHBondContact O-CB 3.38Å; V121-K124 PolarHBondContact O-N 2.93Å; V121-M125 WeakPolarHBondContact O-CG 3.29Å; V121-M125 PolarHBondContact O-N 3.22Å
122L98.4Very high96.8Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-62.1-37.4175.3-68.3173.1000112.4I7 L9 S118 S119 K124 M125 K126 I142 A159 A163 L165I7-L122 HydrophobicContact CD1-CD2 3.96Å; I7-L122 HydrophobicContact CG2-CD2 3.83Å; L9-L122 HydrophobicContact CB-CD2 4.28Å; L9-L122 HydrophobicContact CD1-CD2 4.08Å; L9-L122 HydrophobicContact CD1-CG 4.21Å; L9-L122 HydrophobicContact CD2-CD1 4.38Å; L9-L122 HydrophobicContact CD2-CD2 4.27Å; L9-L122 HydrophobicContact CD2-CG 4.35Å; L9-L122 HydrophobicContact CG-CD2 4.44Å; S118-L122 WeakPolarHBondContact O-CG 3.44Å; S118-L122 PolarHBondContact O-N 3.11Å; S119-L122 PolarHBondContact O-N 2.72Å; L122-K124 VanDerWaalsContact C-N 3.35Å; L122-M125 PolarHBondContact O-N 3.49Å; L122-K126 WeakPolarHBondContact O-CB 3.45Å; L122-K126 PolarHBondContact O-N 3.34Å; L122-I142 HydrophobicContact CD1-CD1 3.9Å; L122-I142 HydrophobicContact CD2-CD1 3.98Å; L122-I142 HydrophobicContact CD2-CG1 4.44Å; L122-I142 HydrophobicContact CD2-CG2 4.39Å; L122-A159 HydrophobicContact CD1-CB 4Å; L122-A163 HydrophobicContact CB-CB 3.74Å; L122-L165 HydrophobicContact CB-CD1 4.39Å
123T96.9Very high96.8Very high27 Ų2724.1 Ų24.117%0.16613%0.125CC..Hα-helixtrans-61.9-44.3174.4-58.60000110.3S119 M120 V121 M125 K126 E127S119-T123 WeakPolarHBondContact O-CB 3.38Å; S119-T123 PolarHBondContact O-N 2.82Å; S119-T123 PolarHBondContact O-OG1 3.33Å; M120-T123 WeakPolarHBondContact O-CB 3.29Å; M120-T123 PolarHBondContact O-N 3.35Å; V121-T123 VanDerWaalsContact C-N 3.3Å; V121-T123 PolarHBondContact O-N 3.24Å; T123-M125 VanDerWaalsContact C-N 3.33Å; T123-M125 PolarHBondContact O-N 2.74Å; T123-K126 WeakPolarHBondContact O-CB 3.36Å; T123-K126 PolarHBondContact O-N 3.5Å; T123-E127 WeakPolarHBondContact O-CG 3.48Å; T123-E127 PolarHBondContact O-N 2.88Å
124K97.5Very high96.7Very high26 Ų2627.5 Ų27.511%0.11316%0.16CC..Hα-helixtrans-61.8-39.9174.1-177.162.3175.7-177.20112.2D30 T36 I49 M120 V121 L122 K126 E127 V128D30-K124 WeakPolarHBondContact OD1-CE 3.06Å; D30-K124 IonicContact OD1-NZ 3.38Å; D30-K124 PolarHBondContact OD1-NZ 3.32Å; D30-K124 IonicContact OD2-NZ 3.25Å; D30-K124 PolarHBondContact OD2-NZ 2.99Å; T36-K124 HydrophobicContact CG2-CG 4.4Å; I49-K124 HydrophobicContact CB-CB 4.27Å; I49-K124 HydrophobicContact CB-CG 4.42Å; I49-K124 HydrophobicContact CG2-CB 3.62Å; I49-K124 HydrophobicContact CG2-CG 3.98Å; M120-K124 PolarHBondContact O-N 2.9Å; V121-K124 WeakPolarHBondContact O-CB 3.38Å; V121-K124 PolarHBondContact O-N 2.93Å; L122-K124 VanDerWaalsContact C-N 3.35Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-E127 PolarHBondContact O-N 2.84Å; K124-V128 VanDerWaalsContact O-CG2 3.29Å; K124-V128 WeakPolarHBondContact O-CG2 3.32Å; K124-V128 PolarHBondContact O-N 2.92Å
125M98.4Very high96.7Very high0 Ų030.5 Ų30.50%017%0.171CC..Hα-helixtrans-65.2-40176.6-66.3-57.192.200111.8I7 V16 T36 V121 L122 T123 V128 A129I7-M125 HydrophobicContact CD1-CB 4.15Å; I7-M125 HydrophobicContact CG1-CB 4.38Å; I7-M125 HydrophobicContact CG2-CB 4.2Å; I7-M125 HydrophobicContact CG2-CG 3.98Å; V16-M125 HydrophobicContact CB-CB 4.19Å; V16-M125 HydrophobicContact CB-SD 4.13Å; V16-M125 HydrophobicContact CG1-CB 4.49Å; V16-M125 HydrophobicContact CG1-SD 4.05Å; T36-M125 HydrophobicContact CG2-CE 3.65Å; T36-M125 WeakPolarHBondContact OG1-CE 3.32Å; V121-M125 WeakPolarHBondContact O-CG 3.29Å; V121-M125 PolarHBondContact O-N 3.22Å; L122-M125 PolarHBondContact O-N 3.49Å; T123-M125 VanDerWaalsContact C-N 3.33Å; T123-M125 PolarHBondContact O-N 2.74Å; M125-V128 PolarHBondContact O-N 3.33Å; M125-A129 PolarHBondContact O-N 2.96Å; M125-A129 VanDerWaalsContact O-N 3.07Å
126K97.1Very high96.6Very high25 Ų2534.6 Ų34.611%0.10920%0.197CC..Hα-helixtrans-59.8-49.6171.7174.8-179.8175.8165.30111.2L122 T123 K124 V128 A129 E130 V137 G164 L165L122-K126 WeakPolarHBondContact O-CB 3.45Å; L122-K126 PolarHBondContact O-N 3.34Å; T123-K126 WeakPolarHBondContact O-CB 3.36Å; T123-K126 PolarHBondContact O-N 3.5Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K126-V128 VanDerWaalsContact C-N 3.35Å; K126-V128 PolarHBondContact O-N 2.88Å; K126-A129 PolarHBondContact O-N 3.41Å; K126-A129 VanDerWaalsContact O-N 3.15Å; K126-E130 WeakPolarHBondContact CE-OE1 3.15Å; K126-E130 HydrophobicContact CG-CG 4.21Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 VanDerWaalsContact O-CG 3.29Å; K126-E130 WeakPolarHBondContact O-CG 3.49Å; K126-E130 PolarHBondContact O-N 3.35Å; K126-V137 WeakPolarHBondContact CE-O 3.5Å; K126-V137 HydrophobicContact CG-CB 4.31Å; K126-V137 PolarHBondContact NZ-O 3.37Å; K126-G164 PolarHBondContact NZ-O 2.74Å; K126-L165 HydrophobicContact CB-CD2 4.36Å; K126-L165 HydrophobicContact CD-CD2 3.87Å; K126-L165 HydrophobicContact CD-CG 4.29Å; K126-L165 HydrophobicContact CG-CD2 4.21Å
127E95.7Very high96.6Very high73 Ų7333.9 Ų33.934%0.34119%0.194SC..Hα-helixtrans-59.4-42.7178.4-73171175.900112.8T123 K124 A129 E130 S131T123-E127 WeakPolarHBondContact O-CG 3.48Å; T123-E127 PolarHBondContact O-N 2.88Å; K124-E127 PolarHBondContact O-N 2.84Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.33Å; E127-E130 PolarHBondContact O-N 2.85Å; E127-S131 WeakPolarHBondContact O-CB 3.48Å; E127-S131 PolarHBondContact O-N 3.15Å
128V97.7Very high96.5Very high9 Ų935.9 Ų35.96%0.05521%0.208CC..Hα-helixtrans-58.8-46.1175.2167.40000110.4V16 I27 A28 N29 K124 M125 K126 Y132V16-V128 HydrophobicContact CG1-CB 4.3Å; V16-V128 HydrophobicContact CG1-CG1 3.85Å; I27-V128 HydrophobicContact CB-CG1 4.13Å; I27-V128 HydrophobicContact CG2-CG1 3.61Å; A28-V128 WeakPolarHBondContact O-CG1 3.39Å; N29-V128 HydrophobicContact CB-CG1 4.47Å; N29-V128 HydrophobicContact CB-CG2 3.83Å; K124-V128 VanDerWaalsContact O-CG2 3.29Å; K124-V128 WeakPolarHBondContact O-CG2 3.32Å; K124-V128 PolarHBondContact O-N 2.92Å; M125-V128 PolarHBondContact O-N 3.33Å; K126-V128 VanDerWaalsContact C-N 3.35Å; K126-V128 PolarHBondContact O-N 2.88Å; V128-Y132 PolarHBondContact O-N 2.92Å
129A97.3Very high96.4Very high0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-66.6-42.5176.700000113I5 V16 I27 M125 K126 E127 S131 Y132 L133 V137I5-A129 HydrophobicContact CD1-CB 4.1Å; I5-A129 HydrophobicContact CG2-CB 3.83Å; V16-A129 HydrophobicContact CG2-CB 4.18Å; I27-A129 HydrophobicContact CD1-CB 3.86Å; M125-A129 PolarHBondContact O-N 2.96Å; M125-A129 VanDerWaalsContact O-N 3.07Å; K126-A129 PolarHBondContact O-N 3.41Å; K126-A129 VanDerWaalsContact O-N 3.15Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 3.33Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 3.34Å; A129-Y132 PolarHBondContact O-N 2.85Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 3.25Å; A129-V137 HydrophobicContact CB-CG2 4.18Å
130E96.1Very high96.5Very high35 Ų3537.1 Ų37.116%0.16421%0.214CC..Hα-helixtrans-62.7-41178.1-72.3-178158.300111.8K126 E127 Y132 L133 G134 R135 T136 V137K126-E130 WeakPolarHBondContact CE-OE1 3.15Å; K126-E130 HydrophobicContact CG-CG 4.21Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 VanDerWaalsContact O-CG 3.29Å; K126-E130 WeakPolarHBondContact O-CG 3.49Å; K126-E130 PolarHBondContact O-N 3.35Å; E127-E130 PolarHBondContact O-N 2.85Å; E130-Y132 VanDerWaalsContact C-N 3.32Å; E130-Y132 PolarHBondContact O-N 3.4Å; E130-L133 PolarHBondContact O-N 3.45Å; E130-G134 WeakPolarHBondContact O-CA 2.92Å; E130-G134 PolarHBondContact O-N 3.45Å; E130-R135 WeakPolarHBondContact CA-O 3.36Å; E130-R135 WeakPolarHBondContact CG-O 3.26Å; E130-T136 WeakPolarHBondContact OE1-CA 3.44Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.14Å; E130-V137 HydrophobicContact CG-CB 3.87Å; E130-V137 HydrophobicContact CG-CG2 3.74Å; E130-V137 PolarHBondContact OE1-N 3.46Å
131S95.6Very high96.5Very high108 Ų10836.7 Ų36.776%0.75521%0.212SC*.Hα-helixtrans-62.2-39.4175.9-173.60000112E127 A129E127-S131 WeakPolarHBondContact O-CB 3.48Å; E127-S131 PolarHBondContact O-N 3.15Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 3.34Å
132Y95.7Very high96.5Very high116 Ų11636.4 Ų36.446%0.45521%0.21SC..Hα-helixtrans-72.5-41176.8176.1-97.4000112.4V18 I27 V128 A129 E130V18-Y132 HydrophobicContact CG1-CD1 4.39Å; V18-Y132 HydrophobicContact CG1-CE1 4.08Å; I27-Y132 HydrophobicContact CD1-CD1 3.83Å; I27-Y132 HydrophobicContact CD1-CG 4.18Å; I27-Y132 HydrophobicContact CG1-CD1 4.09Å; I27-Y132 HydrophobicContact CG1-CG 4.24Å; I27-Y132 VanDerWaalsContact CG2-CB 3.49Å; I27-Y132 HydrophobicContact CG2-CD1 4.46Å; I27-Y132 HydrophobicContact CG2-CD2 4.11Å; I27-Y132 HydrophobicContact CG2-CG 3.78Å; V128-Y132 PolarHBondContact O-N 2.92Å; A129-Y132 PolarHBondContact O-N 2.85Å; E130-Y132 VanDerWaalsContact C-N 3.32Å; E130-Y132 PolarHBondContact O-N 3.4Å
133L94.7Very high96.5Very high27 Ų2736.4 Ų36.414%0.14121%0.21CC..Hα-helixtrans-81.9-19-175.2-67.5174.8000114V18 A129 E130 R135 V137V18-L133 HydrophobicContact CG1-CD2 4.32Å; V18-L133 HydrophobicContact CG2-CD1 4.37Å; V18-L133 HydrophobicContact CG2-CD2 4.27Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 3.25Å; E130-L133 PolarHBondContact O-N 3.45Å; L133-R135 HydrophobicContact CB-CG 4.01Å; L133-R135 PolarHBondContact O-N 2.9Å; L133-V137 HydrophobicContact CD1-CG2 3.65Å
134G94.3Very high96.4Very high73 Ų7335.1 Ų35.175%0.75320%0.202SC*.THydrogen-bonded Turntrans67.421.3-175.300000114.1E130E130-G134 WeakPolarHBondContact O-CA 2.92Å; E130-G134 PolarHBondContact O-N 3.45Å
135R94.1Very high96.1Very high67 Ų6733.9 Ų33.925%0.25320%0.197SC..SBendtrans-157.2159.5-177.362.5-174175.4135.710.1111.5M1 P2 N3 E130 L133M1-R135 PolarHBondContact O-NH1 3.03Å; M1-R135 VanDerWaalsContact O-NH1 3.09Å; P2-R135 PolarHBondContact O-NH2 2.84Å; N3-R135 PolarHBondContact OD1-NH1 3.38Å; E130-R135 WeakPolarHBondContact CA-O 3.36Å; E130-R135 WeakPolarHBondContact CG-O 3.26Å; L133-R135 HydrophobicContact CB-CG 4.01Å; L133-R135 PolarHBondContact O-N 2.9Å
136T94Very high95.6Very high101 Ų10134 Ų3462%0.6220%0.197SC*.  trans-63.3137.8178.1-53.10000112.4E130E130-T136 WeakPolarHBondContact OE1-CA 3.44Å; E130-T136 WeakPolarHBondContact OE1-CG2 3.14Å
137V95.9Very high94.9Very high1 Ų134.1 Ų34.11%0.00620%0.198CC..  trans-104.9123.8176.1171.20000108.9I5 K126 A129 E130 L133 L165I5-V137 HydrophobicContact CB-CG1 4.42Å; I5-V137 HydrophobicContact CD1-CG1 3.72Å; I5-V137 HydrophobicContact CG1-CG1 3.72Å; I5-V137 HydrophobicContact CG2-CG1 3.9Å; I5-V137 HydrophobicContact CG2-CG2 4.3Å; K126-V137 WeakPolarHBondContact CE-O 3.5Å; K126-V137 HydrophobicContact CG-CB 4.31Å; K126-V137 PolarHBondContact NZ-O 3.37Å; A129-V137 HydrophobicContact CB-CG2 4.18Å; E130-V137 HydrophobicContact CG-CB 3.87Å; E130-V137 HydrophobicContact CG-CG2 3.74Å; E130-V137 PolarHBondContact OE1-N 3.46Å; L133-V137 HydrophobicContact CD1-CG2 3.65Å; V137-L165 HydrophobicContact CG1-CD2 4.22Å
138S94.9Very high94.4Very high44 Ų4431 Ų3131%0.30818%0.183SC..  trans-108.7-29.3-17646.60000113.3N3 N166N3-S138 WeakPolarHBondContact CB-OG 3.17Å; S138-N166 WeakPolarHBondContact O-CB 3.44Å; S138-N166 PolarHBondContact O-N 2.87Å
139D97.5Very high93.5Very high33 Ų3331.7 Ų31.718%0.17619%0.186CC..EExtended strand (participates in β ladder)trans-119.2145.1-166.7-59.1-76.3000110.4N3 A4 I5 N166 L168N3-D139 PolarHBondContact O-N 3.49Å; A4-D139 VanDerWaalsContact CA-O 3.27Å; A4-D139 WeakPolarHBondContact CA-O 3.19Å; A4-D139 HydrophobicContact CB-CB 3.83Å; I5-D139 PolarHBondContact N-O 3.46Å; I5-D139 VanDerWaalsContact N-O 3.1Å; D139-N166 WeakPolarHBondContact CA-O 3.41Å; D139-N166 WeakPolarHBondContact OD1-CB 3Å; D139-N166 PolarHBondContact OD1-ND2 2.87Å; D139-L168 HydrophobicContact CB-CD1 3.89Å; D139-L168 HydrophobicContact CB-CD2 4.24Å; D139-L168 HydrophobicContact CB-CG 3.97Å
140A98.2Very high92.7Very high0 Ų032.2 Ų32.20%019%0.189CC..EExtended strand (participates in β ladder)trans-147148.1178.200000112.8I5 I7 I142 L165 N166 V167 L168I5-A140 HydrophobicContact CG1-CB 4.07Å; I5-A140 CarbonylContact O-C 3.51Å; I5-A140 VanDerWaalsContact O-CA 3.29Å; I5-A140 WeakPolarHBondContact O-CA 3.27Å; I7-A140 HydrophobicContact CD1-CB 4.16Å; A140-I142 HydrophobicContact CB-CG1 4.27Å; A140-L165 HydrophobicContact CB-CB 4.31Å; A140-L165 HydrophobicContact CB-CD1 4.06Å; A140-L165 HydrophobicContact CB-CD2 4.23Å; A140-L165 HydrophobicContact CB-CG 4.44Å; A140-N166 PolarHBondContact N-O 3.02Å; A140-V167 CarbonylContact O-C 3.57Å; A140-V167 WeakPolarHBondContact O-CA 3.46Å; A140-L168 PolarHBondContact O-N 2.69Å
141V98.2Very high92.1Very high0 Ų030.8 Ų30.80%018%0.183CC..EExtended strand (participates in β ladder)trans-104.2126.5157.6173.60000107.2I5 I7 L168 R169 I171 A371 Q374 A375 L378I5-V141 PolarHBondContact O-N 3.35Å; I7-V141 PolarHBondContact N-O 3.28Å; V141-L168 HydrophobicContact CG2-CB 4.26Å; V141-R169 WeakPolarHBondContact CA-O 3.41Å; V141-R169 HydrophobicContact CG1-CB 4.49Å; V141-R169 HydrophobicContact CG2-CB 4.23Å; V141-I171 HydrophobicContact CG1-CB 4.22Å; V141-I171 HydrophobicContact CG1-CG2 3.6Å; V141-A371 HydrophobicContact CG1-CB 4.26Å; V141-Q374 HydrophobicContact CG1-CB 4.25Å; V141-Q374 HydrophobicContact CG1-CG 4.21Å; V141-Q374 HydrophobicContact CG2-CB 4.5Å; V141-Q374 HydrophobicContact CG2-CG 4.3Å; V141-A375 HydrophobicContact CB-CB 4.12Å; V141-A375 HydrophobicContact CG2-CB 3.77Å; V141-L378 HydrophobicContact CG2-CD1 3.9Å
142I98.5Very high91.8Very high0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-115.1134.7-177.6-54.8174.6000108.6I7 L9 L122 A140 T156 V167 R169 I170 I171I7-I142 WeakPolarHBondContact O-CA 3.46Å; L9-I142 HydrophobicContact CB-CG2 3.99Å; L122-I142 HydrophobicContact CD1-CD1 3.9Å; L122-I142 HydrophobicContact CD2-CD1 3.98Å; L122-I142 HydrophobicContact CD2-CG1 4.44Å; L122-I142 HydrophobicContact CD2-CG2 4.39Å; A140-I142 HydrophobicContact CB-CG1 4.27Å; I142-T156 HydrophobicContact CB-CG2 4.38Å; I142-T156 HydrophobicContact CG2-CG2 3.63Å; I142-V167 HydrophobicContact CD1-CG1 4.34Å; I142-V167 HydrophobicContact CD1-CG2 3.78Å; I142-V167 HydrophobicContact CG1-CG1 4.47Å; I142-R169 PolarHBondContact N-O 3.37Å; I142-I170 HydrophobicContact CB-CD1 4.06Å; I142-I170 WeakPolarHBondContact O-CA 2.94Å; I142-I171 PolarHBondContact O-N 2.94Å; I142-I171 VanDerWaalsContact O-N 3.11Å
143T97.5Very high91.6Very high0 Ų020.9 Ų20.90%013%0.129CC..EExtended strand (participates in β ladder)trans-87.3152.8179.267.20000112.8I7 D8 I171 A176 V367 A371I7-T143 PolarHBondContact O-N 3.43Å; I7-T143 PolarHBondContact O-OG1 3.19Å; D8-T143 WeakPolarHBondContact CA-OG1 3.49Å; D8-T143 PolarHBondContact OD1-OG1 3.24Å; D8-T143 VanDerWaalsContact OD1-OG1 3.13Å; T143-I171 CarbonylContact C-O 3.56Å; T143-I171 VanDerWaalsContact CA-O 3.24Å; T143-I171 WeakPolarHBondContact CA-O 3.31Å; T143-I171 HydrophobicContact CG2-CG2 3.69Å; T143-A176 HydrophobicContact CG2-CB 4.11Å; T143-V367 HydrophobicContact CG2-CG1 3.41Å; T143-V367 VanDerWaalsContact CG2-CG1 3.41Å; T143-V367 WeakPolarHBondContact OG1-CG1 3.41Å; T143-A371 HydrophobicContact CG2-CB 3.66Å
144V94.9Very high91.3Very high0 Ų020.8 Ų20.80%013%0.127CC..EExtended strand (participates in β ladder)trans-140.7155.7172.2-65.80000111.1F148 R153 T156 I170 I171 N172 E173V144-F148 HydrophobicContact CB-CB 4.3Å; V144-F148 HydrophobicContact CB-CD2 3.65Å; V144-F148 HydrophobicContact CB-CE2 4.26Å; V144-F148 HydrophobicContact CB-CG 4.11Å; V144-F148 HydrophobicContact CG1-CD2 3.75Å; V144-F148 HydrophobicContact CG1-CE2 4.14Å; V144-F148 HydrophobicContact CG2-CB 4.4Å; V144-R153 HydrophobicContact CG2-CG 4.33Å; V144-T156 HydrophobicContact CG1-CG2 3.82Å; V144-I170 HydrophobicContact CB-CG2 4.2Å; V144-I170 HydrophobicContact CG1-CG2 3.72Å; V144-I170 HydrophobicContact CG2-CG2 3.4Å; V144-I171 PolarHBondContact N-O 2.94Å; V144-N172 CarbonylContact O-C 3.58Å; V144-N172 VanDerWaalsContact O-CA 3.3Å; V144-N172 WeakPolarHBondContact O-CA 3.38Å; V144-E173 VanDerWaalsContact C-CD 3.47Å; V144-E173 WeakPolarHBondContact CA-OE1 3.39Å; V144-E173 WeakPolarHBondContact O-CG 3.43Å; V144-E173 PolarHBondContact O-N 3.49Å
145P92.2Very high91.2Very high0 Ų017.5 Ų17.50%09%0.093CC..  trans-57.5148171.9-25.837000110.9Y147 F148 E173 T202 D204P145-Y147 PolarHBondContact O-N 3.47Å; P145-F148 HydrophobicContact CB-CD1 3.76Å; P145-F148 HydrophobicContact CB-CE1 4.05Å; P145-F148 HydrophobicContact CB-CG 4.44Å; P145-F148 HydrophobicContact CG-CD1 3.69Å; P145-F148 HydrophobicContact CG-CE1 3.49Å; P145-F148 VanDerWaalsContact CG-CE1 3.49Å; P145-F148 HydrophobicContact CG-CG 4.39Å; P145-F148 HydrophobicContact CG-CZ 4.02Å; P145-F148 WeakPolarHBondContact O-CB 3.2Å; P145-F148 PolarHBondContact O-N 3.39Å; P145-F148 VanDerWaalsContact O-N 3.08Å; P145-E173 WeakPolarHBondContact CD-OE1 3.47Å; P145-T202 HydrophobicContact CB-CG2 4.21Å; P145-T202 HydrophobicContact CG-CG2 3.79Å; P145-D204 VanDerWaalsContact CA-OD2 3.29Å; P145-D204 WeakPolarHBondContact CA-OD2 3.45Å; P145-D204 VanDerWaalsContact CB-OD2 3.29Å; P145-D204 WeakPolarHBondContact CB-OD2 3.47Å
146A87.2Confident91.2Very high1 Ų114.4 Ų14.41%0.0088%0.081CC..THydrogen-bonded Turntrans-61.2-35.7-175.500000111.9F148 R153 P174 D204 T220 P396A146-F148 VanDerWaalsContact C-N 3.28Å; A146-F148 PolarHBondContact O-N 3.22Å; A146-R153 PolarHBondContact O-NH2 3.09Å; A146-P174 HydrophobicContact CB-CG 3.93Å; A146-D204 PolarHBondContact N-OD2 2.83Å; A146-T220 HydrophobicContact CB-CG2 4.46Å; A146-T220 VanDerWaalsContact CB-OG1 3.28Å; A146-T220 WeakPolarHBondContact CB-OG1 3.38Å; A146-P396 WeakPolarHBondContact O-CG 3.09Å
147Y81.8Confident91.2Very high29 Ų2912.8 Ų12.811%0.1147%0.066CC..THydrogen-bonded Turntrans-82.68179.8-86.8-107.5000114.9P145 N149 T220 A221 K317 P396 L397P145-Y147 PolarHBondContact O-N 3.47Å; Y147-N149 PolarHBondContact O-N 2.85Å; Y147-T220 HydrophobicContact CE2-CG2 4.19Å; Y147-T220 PolarHBondContact OH-O 3.32Å; Y147-A221 WeakPolarHBondContact OH-CA 3.31Å; Y147-K317 PolarHBondContact OH-NZ 3.3Å; Y147-P396 HydrophobicContact CD1-CB 4.47Å; Y147-P396 HydrophobicContact CD2-CB 4.12Å; Y147-P396 HydrophobicContact CE1-CB 4.42Å; Y147-P396 HydrophobicContact CE2-CB 3.99Å; Y147-P396 HydrophobicContact CG-CB 4.32Å; Y147-L397 HydrophobicContact CE1-CD2 4Å; Y147-L397 HydrophobicContact CE1-CG 4.18Å
148F85.7Confident91Very high6 Ų613.1 Ų13.13%0.0267%0.068CC..  trans-63.8128.3168.3-9226.2000110.5K69 I72 V144 P145 A146 Q152 R153K69-F148 HydrophobicContact CG-CZ 4.05Å; I72-F148 HydrophobicContact CG2-CE2 3.64Å; I72-F148 HydrophobicContact CG2-CZ 3.79Å; V144-F148 HydrophobicContact CB-CB 4.3Å; V144-F148 HydrophobicContact CB-CD2 3.65Å; V144-F148 HydrophobicContact CB-CE2 4.26Å; V144-F148 HydrophobicContact CB-CG 4.11Å; V144-F148 HydrophobicContact CG1-CD2 3.75Å; V144-F148 HydrophobicContact CG1-CE2 4.14Å; V144-F148 HydrophobicContact CG2-CB 4.4Å; P145-F148 HydrophobicContact CB-CD1 3.76Å; P145-F148 HydrophobicContact CB-CE1 4.05Å; P145-F148 HydrophobicContact CB-CG 4.44Å; P145-F148 HydrophobicContact CG-CD1 3.69Å; P145-F148 HydrophobicContact CG-CE1 3.49Å; P145-F148 VanDerWaalsContact CG-CE1 3.49Å; P145-F148 HydrophobicContact CG-CG 4.39Å; P145-F148 HydrophobicContact CG-CZ 4.02Å; P145-F148 WeakPolarHBondContact O-CB 3.2Å; P145-F148 PolarHBondContact O-N 3.39Å; P145-F148 VanDerWaalsContact O-N 3.08Å; A146-F148 VanDerWaalsContact C-N 3.28Å; A146-F148 PolarHBondContact O-N 3.22Å; F148-Q152 HydrophobicContact CB-CB 4.01Å; F148-Q152 HydrophobicContact CD1-CB 4.31Å; F148-Q152 HydrophobicContact CD2-CB 3.43Å; F148-Q152 VanDerWaalsContact CD2-CB 3.43Å; F148-Q152 HydrophobicContact CE2-CB 3.86Å; F148-Q152 HydrophobicContact CG-CB 3.68Å; F148-Q152 HydrophobicContact CZ-CB 4.45Å; F148-R153 HydrophobicContact CB-CG 4.06Å; F148-R153 PolarHBondContact O-NE 3.32Å; F148-R153 PolarHBondContact O-NH2 3.26Å
149N79.3Confident91Very high24 Ų2411 Ų1113%0.1285%0.053CC..  trans-81.3178.4173.167.730.1000112.1Y147 S151 Q152 R153 E442 L454Y147-N149 PolarHBondContact O-N 2.85Å; N149-S151 VanDerWaalsContact C-N 3.27Å; N149-S151 PolarHBondContact O-N 2.77Å; N149-S151 WeakPolarHBondContact OD1-CB 3.45Å; N149-S151 PolarHBondContact OD1-N 3.41Å; N149-S151 VanDerWaalsContact OD1-N 3.11Å; N149-Q152 VanDerWaalsContact N-OE1 3.16Å; N149-Q152 PolarHBondContact O-N 2.97Å; N149-Q152 VanDerWaalsContact O-N 3.14Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.29Å; N149-Q152 PolarHBondContact OD1-N 2.87Å; N149-Q152 VanDerWaalsContact OD1-N 3.13Å; N149-R153 WeakPolarHBondContact O-CG 3.43Å; N149-R153 PolarHBondContact O-N 3.47Å; N149-E442 WeakPolarHBondContact CB-OE1 3.38Å; N149-E442 WeakPolarHBondContact CB-OE2 3.32Å; N149-E442 PolarHBondContact ND2-OE1 3.04Å; N149-E442 VanDerWaalsContact ND2-OE1 3.15Å; N149-L454 HydrophobicContact CB-CD2 4.34Å
150D80.5Confident91Very high11 Ų119.4 Ų9.46%0.0595%0.045CC..Hα-helixtrans-53-43.7-178.6-62.9-61000113.1Q152 R153 Q154 G482 I483 L484D150-Q152 VanDerWaalsContact C-N 3.35Å; D150-Q152 PolarHBondContact O-N 2.88Å; D150-R153 PolarHBondContact O-N 2.8Å; D150-Q154 WeakPolarHBondContact O-CB 3.44Å; D150-Q154 PolarHBondContact O-N 3.48Å; D150-G482 VanDerWaalsContact OD1-O 3.07Å; D150-I483 WeakPolarHBondContact OD1-CA 3.11Å; D150-L484 VanDerWaalsContact OD1-CB 3.29Å; D150-L484 WeakPolarHBondContact OD1-CB 3.35Å; D150-L484 PolarHBondContact OD1-N 3.15Å; D150-L484 VanDerWaalsContact OD2-CB 3.31Å; D150-L484 WeakPolarHBondContact OD2-CB 3.14Å
151S84.2Confident90.7Very high6 Ų611.3 Ų11.34%0.0426%0.06CC..Hα-helixtrans-62.6-43.6-178.5-169.60000111G73 N149 A155G73-S151 PolarHBondContact O-OG 3.49Å; N149-S151 VanDerWaalsContact C-N 3.27Å; N149-S151 PolarHBondContact O-N 2.77Å; N149-S151 WeakPolarHBondContact OD1-CB 3.45Å; N149-S151 PolarHBondContact OD1-N 3.41Å; N149-S151 VanDerWaalsContact OD1-N 3.11Å; S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 3.24Å
152Q89.6Confident90.5Very high7 Ų711.6 Ų11.63%0.0336%0.062CC..Hα-helixtrans-72.3-43.3-179.6-58.3176.3-79.200111.7I72 F148 N149 D150 Q154 A155 T156I72-Q152 WeakPolarHBondContact O-CG 3.48Å; F148-Q152 HydrophobicContact CB-CB 4.01Å; F148-Q152 HydrophobicContact CD1-CB 4.31Å; F148-Q152 HydrophobicContact CD2-CB 3.43Å; F148-Q152 VanDerWaalsContact CD2-CB 3.43Å; F148-Q152 HydrophobicContact CE2-CB 3.86Å; F148-Q152 HydrophobicContact CG-CB 3.68Å; F148-Q152 HydrophobicContact CZ-CB 4.45Å; N149-Q152 VanDerWaalsContact N-OE1 3.16Å; N149-Q152 PolarHBondContact O-N 2.97Å; N149-Q152 VanDerWaalsContact O-N 3.14Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.29Å; N149-Q152 PolarHBondContact OD1-N 2.87Å; N149-Q152 VanDerWaalsContact OD1-N 3.13Å; D150-Q152 VanDerWaalsContact C-N 3.35Å; D150-Q152 PolarHBondContact O-N 2.88Å; Q152-Q154 VanDerWaalsContact C-N 3.32Å; Q152-Q154 PolarHBondContact O-N 2.79Å; Q152-A155 PolarHBondContact O-N 2.82Å; Q152-T156 PolarHBondContact O-N 2.75Å; Q152-T156 PolarHBondContact O-OG1 3.2Å; Q152-T156 VanDerWaalsContact O-OG1 3.08Å
153R90.7Very high90.4Very high9 Ų912 Ų123%0.0347%0.065CC..Hα-helixtrans-59-45.2175.2-70.3173.8-179.1-81.1-11.5111.5V144 A146 F148 N149 D150 T156 K157 I170 N172 N481 G482V144-R153 HydrophobicContact CG2-CG 4.33Å; A146-R153 PolarHBondContact O-NH2 3.09Å; F148-R153 HydrophobicContact CB-CG 4.06Å; F148-R153 PolarHBondContact O-NE 3.32Å; F148-R153 PolarHBondContact O-NH2 3.26Å; N149-R153 WeakPolarHBondContact O-CG 3.43Å; N149-R153 PolarHBondContact O-N 3.47Å; D150-R153 PolarHBondContact O-N 2.8Å; R153-T156 PolarHBondContact O-N 2.62Å; R153-K157 PolarHBondContact O-N 3.43Å; R153-I170 HydrophobicContact CG-CG2 4.48Å; R153-N172 VanDerWaalsContact CZ-OD1 3.27Å; R153-N172 PolarHBondContact NH1-OD1 2.93Å; R153-N172 PolarHBondContact NH2-OD1 3.2Å; R153-N481 WeakPolarHBondContact CD-O 3.38Å; R153-N481 PolarHBondContact NH1-O 2.88Å; R153-G482 WeakPolarHBondContact CD-O 3.4Å
154Q88.2Confident90.2Very high24 Ų2414 Ų1411%0.1129%0.085CC..Hα-helixtrans-68.8-39.5178.8-174.55974.300112D150 Q152 T156 K157 D158 R507D150-Q154 WeakPolarHBondContact O-CB 3.44Å; D150-Q154 PolarHBondContact O-N 3.48Å; Q152-Q154 VanDerWaalsContact C-N 3.32Å; Q152-Q154 PolarHBondContact O-N 2.79Å; Q154-T156 VanDerWaalsContact C-N 3.33Å; Q154-T156 PolarHBondContact O-N 2.92Å; Q154-K157 WeakPolarHBondContact O-CB 3.43Å; Q154-K157 PolarHBondContact O-N 3.33Å; Q154-K157 VanDerWaalsContact O-N 3.16Å; Q154-D158 PolarHBondContact NE2-OD1 3.09Å; Q154-D158 WeakPolarHBondContact O-CB 3.42Å; Q154-D158 PolarHBondContact O-N 3.14Å; Q154-R507 VanDerWaalsContact CG-NE 3.3Å
155A91.7Very high90.2Very high4 Ų414.3 Ų14.33%0.0339%0.087CC..Hα-helixtrans-63.3-37.417400000112.2I72 E115 S151 Q152 D158 A159I72-A155 HydrophobicContact CD1-CB 4.36Å; I72-A155 HydrophobicContact CG1-CB 3.61Å; E115-A155 HydrophobicContact CG-CB 3.82Å; E115-A155 WeakPolarHBondContact CG-O 3.5Å; E115-A155 WeakPolarHBondContact OE1-CB 3.39Å; S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 3.24Å; Q152-A155 PolarHBondContact O-N 2.82Å; A155-D158 PolarHBondContact O-N 3.33Å; A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 3.26Å
156T94.6Very high90.4Very high2 Ų218.7 Ų18.71%0.01211%0.11CC..Hα-helixtrans-62.8-42.1170.6-580000111.8L9 I142 V144 Q152 R153 Q154 A159 G160 I170L9-T156 HydrophobicContact CD2-CG2 4.25Å; I142-T156 HydrophobicContact CB-CG2 4.38Å; I142-T156 HydrophobicContact CG2-CG2 3.63Å; V144-T156 HydrophobicContact CG1-CG2 3.82Å; Q152-T156 PolarHBondContact O-N 2.75Å; Q152-T156 PolarHBondContact O-OG1 3.2Å; Q152-T156 VanDerWaalsContact O-OG1 3.08Å; R153-T156 PolarHBondContact O-N 2.62Å; Q154-T156 VanDerWaalsContact C-N 3.33Å; Q154-T156 PolarHBondContact O-N 2.92Å; T156-A159 WeakPolarHBondContact O-CB 3.38Å; T156-A159 PolarHBondContact O-N 3.21Å; T156-G160 PolarHBondContact O-N 2.87Å; T156-I170 HydrophobicContact CG2-CD1 3.93Å
157K92.9Very high90.8Very high67 Ų6719.2 Ų19.229%0.29111%0.114SC..Hα-helixtrans-63.7-41.6175.3-174.2172.6-177174.30111.9R153 Q154 G160 A161 V167 I170 I483R153-K157 PolarHBondContact O-N 3.43Å; Q154-K157 WeakPolarHBondContact O-CB 3.43Å; Q154-K157 PolarHBondContact O-N 3.33Å; Q154-K157 VanDerWaalsContact O-N 3.16Å; K157-G160 PolarHBondContact O-N 3.32Å; K157-A161 PolarHBondContact O-N 3.32Å; K157-V167 HydrophobicContact CG-CB 4.17Å; K157-V167 HydrophobicContact CG-CG1 4.39Å; K157-V167 HydrophobicContact CG-CG2 4.46Å; K157-I170 HydrophobicContact CB-CD1 4.42Å; K157-I170 HydrophobicContact CB-CG1 4.39Å; K157-I483 HydrophobicContact CD-CD1 4.49Å
158D92.4Very high91.5Very high8 Ų820.4 Ų20.44%0.04312%0.122CC..Hα-helixtrans-65.1-40.2176.9-64.5-12000110.1Q154 A155 G160 A161 I162 R507 L508 I513Q154-D158 PolarHBondContact NE2-OD1 3.09Å; Q154-D158 WeakPolarHBondContact O-CB 3.42Å; Q154-D158 PolarHBondContact O-N 3.14Å; A155-D158 PolarHBondContact O-N 3.33Å; D158-G160 VanDerWaalsContact C-N 3.34Å; D158-G160 PolarHBondContact O-N 3.24Å; D158-A161 WeakPolarHBondContact O-CB 3.04Å; D158-A161 PolarHBondContact O-N 2.96Å; D158-I162 VanDerWaalsContact O-CG1 3.29Å; D158-I162 WeakPolarHBondContact O-CG1 3.46Å; D158-I162 PolarHBondContact O-N 2.97Å; D158-R507 IonicContact OD1-NH2 2.85Å; D158-R507 PolarHBondContact OD1-NH2 2.91Å; D158-R507 VanDerWaalsContact OD1-NH2 3.13Å; D158-R507 IonicContact OD2-CZ 2.88Å; D158-R507 IonicContact OD2-NE 3.75Å; D158-R507 PolarHBondContact OD2-NE 3.12Å; D158-R507 IonicContact OD2-NH2 3.71Å; D158-R507 PolarHBondContact OD2-NH2 3.03Å; D158-R507 VanDerWaalsContact OD2-NH2 3.16Å; D158-L508 HydrophobicContact CB-CD1 4.48Å; D158-I513 HydrophobicContact CB-CD1 4.27Å
159A96.1Very high91.9Very high0 Ų022.9 Ų22.90%013%0.131CC..Hα-helixtrans-60.4-40.4172.400000112.6I72 E115 S119 L122 A155 T156 I162 A163I72-A159 HydrophobicContact CD1-CB 4.43Å; E115-A159 HydrophobicContact CB-CB 4.21Å; E115-A159 WeakPolarHBondContact O-CB 3.37Å; S119-A159 WeakPolarHBondContact CB-O 3.27Å; L122-A159 HydrophobicContact CD1-CB 4Å; A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 3.26Å; T156-A159 WeakPolarHBondContact O-CB 3.38Å; T156-A159 PolarHBondContact O-N 3.21Å; A159-I162 PolarHBondContact O-N 2.83Å; A159-A163 PolarHBondContact O-N 2.66Å; A159-A163 VanDerWaalsContact O-N 3.07Å
160G96.3Very high92.7Very high0 Ų022 Ų220%013%0.126CC..Hα-helixtrans-62.1-42.7172.800000112.8T156 K157 D158 I162 A163 G164 L165T156-G160 PolarHBondContact O-N 2.87Å; K157-G160 PolarHBondContact O-N 3.32Å; D158-G160 VanDerWaalsContact C-N 3.34Å; D158-G160 PolarHBondContact O-N 3.24Å; G160-I162 PolarHBondContact O-N 2.82Å; G160-A163 PolarHBondContact O-N 2.8Å; G160-G164 PolarHBondContact O-N 3.34Å; G160-L165 CarbonylContact C-O 3.57Å; G160-L165 WeakPolarHBondContact O-CB 3.32Å; G160-L165 PolarHBondContact O-N 3.36Å
161A93Very high93.4Very high40 Ų4021.7 Ų21.733%0.33112%0.124SC..Hα-helixtrans-62.5-42175.500000112.2K157 D158 A163 G164K157-A161 PolarHBondContact O-N 3.32Å; D158-A161 WeakPolarHBondContact O-CB 3.04Å; D158-A161 PolarHBondContact O-N 2.96Å; A161-A163 VanDerWaalsContact C-N 3.26Å; A161-A163 PolarHBondContact O-N 2.97Å; A161-G164 PolarHBondContact O-N 3.42Å
162I93.5Very high93.9Very high5 Ų521.6 Ų21.63%0.02612%0.123CC..Hα-helixtrans-61.4-35.1175.3-63.5162.8000111.3E115 S119 D158 A159 G160 G164 L508 I513 M516 A520E115-I162 HydrophobicContact CB-CD1 4.18Å; S119-I162 WeakPolarHBondContact OG-CG2 3.23Å; D158-I162 VanDerWaalsContact O-CG1 3.29Å; D158-I162 WeakPolarHBondContact O-CG1 3.46Å; D158-I162 PolarHBondContact O-N 2.97Å; A159-I162 PolarHBondContact O-N 2.83Å; G160-I162 PolarHBondContact O-N 2.82Å; I162-G164 PolarHBondContact O-N 3.5Å; I162-L508 HydrophobicContact CD1-CD1 3.74Å; I162-I513 HydrophobicContact CG1-CG2 4.45Å; I162-M516 HydrophobicContact CD1-CB 3.98Å; I162-M516 HydrophobicContact CD1-SD 3.79Å; I162-M516 HydrophobicContact CG1-CB 3.92Å; I162-M516 HydrophobicContact CG2-CB 4.14Å; I162-A520 HydrophobicContact CG2-CB 4.01Å
163A95.4Very high94.2Very high8 Ų821.6 Ų21.67%0.06612%0.123CC..THydrogen-bonded Turntrans-75.63175.300000114L122 A159 G160 A161 L165L122-A163 HydrophobicContact CB-CB 3.74Å; A159-A163 PolarHBondContact O-N 2.66Å; A159-A163 VanDerWaalsContact O-N 3.07Å; G160-A163 PolarHBondContact O-N 2.8Å; A161-A163 VanDerWaalsContact C-N 3.26Å; A161-A163 PolarHBondContact O-N 2.97Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 HydrophobicContact CB-CD1 4.32Å; A163-L165 HydrophobicContact CB-CG 4.46Å; A163-L165 PolarHBondContact O-N 3.13Å
164G93.3Very high94.3Very high42 Ų4221.2 Ų21.243%0.43312%0.122SC..THydrogen-bonded Turntrans66.534.4-17600000112.9K126 G160 A161 I162K126-G164 PolarHBondContact NZ-O 2.74Å; G160-G164 PolarHBondContact O-N 3.34Å; A161-G164 PolarHBondContact O-N 3.42Å; I162-G164 PolarHBondContact O-N 3.5Å
165L96.3Very high94.6Very high7 Ų720.1 Ų20.14%0.03712%0.117CC..  trans-108.9131.3173.1-66168.2000110.1I7 L122 K126 V137 A140 G160 A163 V167I7-L165 HydrophobicContact CD1-CD1 3.84Å; L122-L165 HydrophobicContact CB-CD1 4.39Å; K126-L165 HydrophobicContact CB-CD2 4.36Å; K126-L165 HydrophobicContact CD-CD2 3.87Å; K126-L165 HydrophobicContact CD-CG 4.29Å; K126-L165 HydrophobicContact CG-CD2 4.21Å; V137-L165 HydrophobicContact CG1-CD2 4.22Å; A140-L165 HydrophobicContact CB-CB 4.31Å; A140-L165 HydrophobicContact CB-CD1 4.06Å; A140-L165 HydrophobicContact CB-CD2 4.23Å; A140-L165 HydrophobicContact CB-CG 4.44Å; G160-L165 CarbonylContact C-O 3.57Å; G160-L165 WeakPolarHBondContact O-CB 3.32Å; G160-L165 PolarHBondContact O-N 3.36Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 HydrophobicContact CB-CD1 4.32Å; A163-L165 HydrophobicContact CB-CG 4.46Å; A163-L165 PolarHBondContact O-N 3.13Å; L165-V167 PolarHBondContact O-N 3.24Å
166N96.2Very high94.8Very high92 Ų9219.9 Ų19.949%0.49212%0.115SC..EExtended strand (participates in β ladder)trans-76.3102.5163.2177.936.4000108.9S138 D139 A140 L168S138-N166 WeakPolarHBondContact O-CB 3.44Å; S138-N166 PolarHBondContact O-N 2.87Å; D139-N166 WeakPolarHBondContact CA-O 3.41Å; D139-N166 WeakPolarHBondContact OD1-CB 3Å; D139-N166 PolarHBondContact OD1-ND2 2.87Å; A140-N166 PolarHBondContact N-O 3.02Å; N166-L168 PolarHBondContact O-N 3.19Å
167V96Very high94.9Very high13 Ų1319.8 Ų19.88%0.07912%0.115CC..EExtended strand (participates in β ladder)trans-75.297.6179.9-175.30000109.6A140 I142 K157 L165 R169 I170A140-V167 CarbonylContact O-C 3.57Å; A140-V167 WeakPolarHBondContact O-CA 3.46Å; I142-V167 HydrophobicContact CD1-CG1 4.34Å; I142-V167 HydrophobicContact CD1-CG2 3.78Å; I142-V167 HydrophobicContact CG1-CG1 4.47Å; K157-V167 HydrophobicContact CG-CB 4.17Å; K157-V167 HydrophobicContact CG-CG1 4.39Å; K157-V167 HydrophobicContact CG-CG2 4.46Å; L165-V167 PolarHBondContact O-N 3.24Å; V167-R169 VanDerWaalsContact C-N 3.32Å; V167-R169 PolarHBondContact O-N 3.42Å; V167-I170 HydrophobicContact CG1-CD1 3.61Å; V167-I170 HydrophobicContact CG1-CG1 4.16Å
168L95.5Very high95Very high53 Ų5316.6 Ų16.628%0.27710%0.101SC..EExtended strand (participates in β ladder)trans-63.1-39.4-179.2-63.8-179.8000111.8A4 D139 A140 V141 N166 L378A4-L168 HydrophobicContact CB-CD1 3.92Å; D139-L168 HydrophobicContact CB-CD1 3.89Å; D139-L168 HydrophobicContact CB-CD2 4.24Å; D139-L168 HydrophobicContact CB-CG 3.97Å; A140-L168 PolarHBondContact O-N 2.69Å; V141-L168 HydrophobicContact CG2-CB 4.26Å; N166-L168 PolarHBondContact O-N 3.19Å; L168-L378 HydrophobicContact CB-CD1 4.05Å; L168-L378 HydrophobicContact CD1-CB 4.09Å
169R95.3Very high95.1Very high59 Ų5916.2 Ų16.222%0.22310%0.099CC..EExtended strand (participates in β ladder)trans-158144.3178.5-174.8169.9-68.9-170.2-5.4111V141 I142 V167 L378 N481V141-R169 WeakPolarHBondContact CA-O 3.41Å; V141-R169 HydrophobicContact CG1-CB 4.49Å; V141-R169 HydrophobicContact CG2-CB 4.23Å; I142-R169 PolarHBondContact N-O 3.37Å; V167-R169 VanDerWaalsContact C-N 3.32Å; V167-R169 PolarHBondContact O-N 3.42Å; R169-L378 HydrophobicContact CB-CD1 3.51Å; R169-L378 HydrophobicContact CG-CD1 4.41Å; R169-N481 WeakPolarHBondContact CA-OD1 3.42Å
170I94.8Very high94.9Very high4 Ų416.6 Ų16.62%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-94.2124.1159.6-61.4-61.6000107.7I142 V144 R153 T156 K157 V167 N481I142-I170 HydrophobicContact CB-CD1 4.06Å; I142-I170 WeakPolarHBondContact O-CA 2.94Å; V144-I170 HydrophobicContact CB-CG2 4.2Å; V144-I170 HydrophobicContact CG1-CG2 3.72Å; V144-I170 HydrophobicContact CG2-CG2 3.4Å; R153-I170 HydrophobicContact CG-CG2 4.48Å; T156-I170 HydrophobicContact CG2-CD1 3.93Å; K157-I170 HydrophobicContact CB-CD1 4.42Å; K157-I170 HydrophobicContact CB-CG1 4.39Å; V167-I170 HydrophobicContact CG1-CD1 3.61Å; V167-I170 HydrophobicContact CG1-CG1 4.16Å; I170-N481 HydrophobicContact CB-CB 4.37Å; I170-N481 PolarHBondContact N-OD1 3.42Å
171I95.2Very high94.7Very high5 Ų516.9 Ų16.93%0.02610%0.103CC..EExtended strand (participates in β ladder)trans-118.2147.8-179.5-170.8171.2000110.7V141 I142 T143 V144 T175 A176 I179 Q374 L391V141-I171 HydrophobicContact CG1-CB 4.22Å; V141-I171 HydrophobicContact CG1-CG2 3.6Å; I142-I171 PolarHBondContact O-N 2.94Å; I142-I171 VanDerWaalsContact O-N 3.11Å; T143-I171 CarbonylContact C-O 3.56Å; T143-I171 VanDerWaalsContact CA-O 3.24Å; T143-I171 WeakPolarHBondContact CA-O 3.31Å; T143-I171 HydrophobicContact CG2-CG2 3.69Å; V144-I171 PolarHBondContact N-O 2.94Å; I171-T175 HydrophobicContact CD1-CG2 4.3Å; I171-T175 HydrophobicContact CG1-CG2 4.32Å; I171-A176 HydrophobicContact CD1-CB 4.25Å; I171-A176 HydrophobicContact CG2-CB 4.26Å; I171-I179 HydrophobicContact CD1-CD1 3.91Å; I171-Q374 HydrophobicContact CD1-CB 4.27Å; I171-Q374 HydrophobicContact CD1-CG 4.13Å; I171-L391 HydrophobicContact CD1-CD2 3.7Å; I171-L391 HydrophobicContact CG1-CD2 4.16Å
172N94Very high94.6Very high4 Ų415.4 Ų15.42%0.0219%0.091CC..EExtended strand (participates in β ladder)trans-69.3137.3173.7-67.2-17.4000110.9V144 R153 T175 A176 D393V144-N172 CarbonylContact O-C 3.58Å; V144-N172 VanDerWaalsContact O-CA 3.3Å; V144-N172 WeakPolarHBondContact O-CA 3.38Å; R153-N172 VanDerWaalsContact CZ-OD1 3.27Å; R153-N172 PolarHBondContact NH1-OD1 2.93Å; R153-N172 PolarHBondContact NH2-OD1 3.2Å; N172-T175 WeakPolarHBondContact CB-OG1 3.46Å; N172-T175 WeakPolarHBondContact O-CB 3.28Å; N172-T175 PolarHBondContact O-N 3.46Å; N172-A176 PolarHBondContact O-N 3.27Å; N172-D393 WeakPolarHBondContact CB-OD2 3.34Å; N172-D393 PolarHBondContact ND2-OD1 2.83Å; N172-D393 PolarHBondContact ND2-OD2 3.01Å
173E96.1Very high94Very high8 Ų816.7 Ų16.74%0.03710%0.098CC..Hα-helixtrans-53.2-54.4176.3-75.8163.1-153.500113.5K69 V144 P145 T175 A176 A177 V367K69-E173 IonicContact NZ-OE1 2.73Å; K69-E173 PolarHBondContact NZ-OE1 3.39Å; K69-E173 IonicContact NZ-OE2 3.63Å; V144-E173 VanDerWaalsContact C-CD 3.47Å; V144-E173 WeakPolarHBondContact CA-OE1 3.39Å; V144-E173 WeakPolarHBondContact O-CG 3.43Å; V144-E173 PolarHBondContact O-N 3.49Å; P145-E173 WeakPolarHBondContact CD-OE1 3.47Å; E173-T175 PolarHBondContact O-N 3.21Å; E173-A176 PolarHBondContact O-N 2.97Å; E173-A176 VanDerWaalsContact O-N 3.14Å; E173-A177 PolarHBondContact O-N 2.76Å; E173-V367 HydrophobicContact CB-CG1 4.21Å; E173-V367 HydrophobicContact CB-CG2 4.3Å; E173-V367 HydrophobicContact CG-CG1 3.82Å
174P94.5Very high92.9Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-63.3-31179.924.1-35.3000112.1A146 A177 A178 I195 D204 S206A146-P174 HydrophobicContact CB-CG 3.93Å; P174-A177 PolarHBondContact O-N 2.99Å; P174-A178 WeakPolarHBondContact O-CB 3.41Å; P174-A178 PolarHBondContact O-N 3.38Å; P174-I195 HydrophobicContact CB-CB 4.15Å; P174-I195 HydrophobicContact CB-CG2 3.81Å; P174-D204 HydrophobicContact CG-CB 4.21Å; P174-S206 WeakPolarHBondContact CB-OG 3.45Å; P174-S206 VanDerWaalsContact CG-OG 3.3Å; P174-S206 WeakPolarHBondContact CG-OG 3.34Å
175T94.1Very high91.8Very high1 Ų124.9 Ų24.91%0.00613%0.126CC..Hα-helixtrans-68.5-44.4175.7-57.90000111.7I171 N172 E173 A177 A178 I179 V217 L391 D393I171-T175 HydrophobicContact CD1-CG2 4.3Å; I171-T175 HydrophobicContact CG1-CG2 4.32Å; N172-T175 WeakPolarHBondContact CB-OG1 3.46Å; N172-T175 WeakPolarHBondContact O-CB 3.28Å; N172-T175 PolarHBondContact O-N 3.46Å; E173-T175 PolarHBondContact O-N 3.21Å; T175-A177 VanDerWaalsContact C-N 3.35Å; T175-A178 WeakPolarHBondContact O-CB 3.4Å; T175-A178 PolarHBondContact O-N 3.05Å; T175-I179 PolarHBondContact O-N 3.33Å; T175-I179 VanDerWaalsContact O-N 3.13Å; T175-V217 HydrophobicContact CG2-CG2 4.48Å; T175-L391 HydrophobicContact CG2-CD1 3.06Å; T175-L391 HydrophobicContact CG2-CD2 3.52Å; T175-L391 HydrophobicContact CG2-CG 3.82Å; T175-D393 PolarHBondContact OG1-OD2 2.9Å
176A96.4Very high90.1Very high0 Ų034.8 Ų34.80%017%0.169CC..Hα-helixtrans-61.6-44.2173.700000111T143 I171 N172 E173 A178 I179 A180 V367 G370T143-A176 HydrophobicContact CG2-CB 4.11Å; I171-A176 HydrophobicContact CD1-CB 4.25Å; I171-A176 HydrophobicContact CG2-CB 4.26Å; N172-A176 PolarHBondContact O-N 3.27Å; E173-A176 PolarHBondContact O-N 2.97Å; E173-A176 VanDerWaalsContact O-N 3.14Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 2.88Å; A176-I179 WeakPolarHBondContact O-CB 3.4Å; A176-I179 PolarHBondContact O-N 3.07Å; A176-I179 VanDerWaalsContact O-N 3.12Å; A176-A180 PolarHBondContact O-N 3.22Å; A176-A180 VanDerWaalsContact O-N 3.08Å; A176-V367 HydrophobicContact CB-CG1 4.42Å; A176-V367 WeakPolarHBondContact CB-O 3.45Å; A176-G370 VanDerWaalsContact O-CA 3.26Å; A176-G370 WeakPolarHBondContact O-CA 3.22Å
177A95.9Very high88.3Confident0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-63.6-33.5176.600000113.1E173 P174 T175 A180 Y181 I195 V335 A366 V367E173-A177 PolarHBondContact O-N 2.76Å; P174-A177 PolarHBondContact O-N 2.99Å; T175-A177 VanDerWaalsContact C-N 3.35Å; A177-A180 PolarHBondContact O-N 2.96Å; A177-Y181 PolarHBondContact O-N 2.79Å; A177-I195 HydrophobicContact CB-CG2 4.26Å; A177-V335 HydrophobicContact CB-CB 4.29Å; A177-V335 HydrophobicContact CB-CG1 3.85Å; A177-V335 HydrophobicContact CB-CG2 3.47Å; A177-V335 VanDerWaalsContact CB-CG2 3.47Å; A177-A366 HydrophobicContact CB-CB 4.18Å; A177-V367 HydrophobicContact CB-CG2 4.27Å
178A94.8Very high87Confident0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-63.5-40.2172.800000112.2P174 T175 A176 A180 Y181 G182 I195 L208 F215P174-A178 WeakPolarHBondContact O-CB 3.41Å; P174-A178 PolarHBondContact O-N 3.38Å; T175-A178 WeakPolarHBondContact O-CB 3.4Å; T175-A178 PolarHBondContact O-N 3.05Å; A176-A178 VanDerWaalsContact C-N 3.28Å; A176-A178 PolarHBondContact O-N 2.88Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 3.1Å; A178-Y181 WeakPolarHBondContact O-CB 3.47Å; A178-Y181 PolarHBondContact O-N 3.28Å; A178-G182 PolarHBondContact O-N 2.99Å; A178-I195 HydrophobicContact CB-CD1 3.96Å; A178-I195 HydrophobicContact CB-CG1 4.04Å; A178-L208 HydrophobicContact CB-CD1 3.95Å; A178-L208 HydrophobicContact CB-CD2 3.53Å; A178-L208 HydrophobicContact CB-CG 4.32Å; A178-F215 HydrophobicContact CB-CD1 4.4Å; A178-F215 VanDerWaalsContact O-CE1 3.32Å; A178-F215 WeakPolarHBondContact O-CE1 3.09Å
179I93.7Very high86.4Confident0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-59.7-46.2173.6-67.1168.2000110.4I171 T175 A176 Y181 G182 L183 F215 V373 L389 L391I171-I179 HydrophobicContact CD1-CD1 3.91Å; T175-I179 PolarHBondContact O-N 3.33Å; T175-I179 VanDerWaalsContact O-N 3.13Å; A176-I179 WeakPolarHBondContact O-CB 3.4Å; A176-I179 PolarHBondContact O-N 3.07Å; A176-I179 VanDerWaalsContact O-N 3.12Å; I179-Y181 VanDerWaalsContact C-N 3.28Å; I179-Y181 PolarHBondContact O-N 3.44Å; I179-G182 PolarHBondContact O-N 3.02Å; I179-L183 WeakPolarHBondContact O-CB 3.24Å; I179-L183 PolarHBondContact O-N 3.29Å; I179-F215 HydrophobicContact CG1-CD1 4.48Å; I179-V373 HydrophobicContact CG2-CB 3.76Å; I179-V373 HydrophobicContact CG2-CG1 3.69Å; I179-V373 HydrophobicContact CG2-CG2 4.08Å; I179-L389 HydrophobicContact CD1-CD2 4.41Å; I179-L389 HydrophobicContact CG1-CD1 4.39Å; I179-L389 HydrophobicContact CG2-CD1 3.83Å; I179-L391 HydrophobicContact CD1-CD2 4.42Å
180A93.4Very high86.2Confident7 Ų736.8 Ų36.86%0.05821%0.21CC..Hα-helixtrans-61.4-36.9177.500000112.6A176 A177 A178 A366 Y369A176-A180 PolarHBondContact O-N 3.22Å; A176-A180 VanDerWaalsContact O-N 3.08Å; A177-A180 PolarHBondContact O-N 2.96Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 3.1Å; A180-A366 HydrophobicContact CB-CB 4.32Å; A180-A366 VanDerWaalsContact CB-O 3.23Å; A180-A366 WeakPolarHBondContact CB-O 3.45Å; A180-Y369 HydrophobicContact CB-CD1 3.57Å; A180-Y369 HydrophobicContact CB-CE1 4.41Å; A180-Y369 HydrophobicContact CB-CG 3.98Å
181Y92.2Very high86.2Confident6 Ų640.2 Ų40.22%0.02422%0.223CC..Hα-helixtrans-67.8-44173.4166.8-96.6000112.9A177 A178 I179 K185 R191 V193 I210 D331 V333 N358A177-Y181 PolarHBondContact O-N 2.79Å; A178-Y181 WeakPolarHBondContact O-CB 3.47Å; A178-Y181 PolarHBondContact O-N 3.28Å; I179-Y181 VanDerWaalsContact C-N 3.28Å; I179-Y181 PolarHBondContact O-N 3.44Å; Y181-K185 VanDerWaalsContact O-CG 3.25Å; Y181-K185 WeakPolarHBondContact O-CG 3.19Å; Y181-R191 PolarHBondContact OH-NH1 2.75Å; Y181-V193 HydrophobicContact CD1-CG1 4.29Å; Y181-V193 HydrophobicContact CD1-CG2 4.35Å; Y181-V193 HydrophobicContact CE1-CG1 4.22Å; Y181-V193 HydrophobicContact CE1-CG2 3.72Å; Y181-I210 HydrophobicContact CD1-CD1 3.86Å; Y181-I210 HydrophobicContact CE1-CD1 4.04Å; Y181-D331 PolarHBondContact OH-OD1 2.92Å; Y181-D331 PolarHBondContact OH-OD2 2.87Å; Y181-V333 HydrophobicContact CD1-CG2 4.34Å; Y181-V333 HydrophobicContact CD2-CG2 3.51Å; Y181-V333 HydrophobicContact CE2-CG2 3.87Å; Y181-V333 HydrophobicContact CG-CG2 3.76Å; Y181-N358 WeakPolarHBondContact CE2-ND2 3.28Å
182G89.2Confident86.2Confident9 Ų940.5 Ų40.59%0.09322%0.224CC..Hα-helixtrans-81.6-27.2-170.200000115.2A178 I179 D184 K185A178-G182 PolarHBondContact O-N 2.99Å; I179-G182 PolarHBondContact O-N 3.02Å; G182-D184 PolarHBondContact O-N 2.88Å; G182-K185 PolarHBondContact O-N 3.38Å; G182-K185 VanDerWaalsContact O-N 3.07Å
183L82.2Confident86.3Confident32 Ų3240.3 Ų40.317%0.16822%0.223CC..THydrogen-bonded Turntrans-56.8-45.3-171.7-170.771.2000113.7I179 K185 Y369 V373 A385 V386I179-L183 WeakPolarHBondContact O-CB 3.24Å; I179-L183 PolarHBondContact O-N 3.29Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-Y369 HydrophobicContact CD2-CE1 3.9Å; L183-V373 HydrophobicContact CD1-CG1 4.45Å; L183-V373 HydrophobicContact CD2-CG2 3.86Å; L183-A385 WeakPolarHBondContact CD1-O 3.47Å; L183-V386 HydrophobicContact CD1-CG1 4.02Å
184D72.2Confident86.4Confident130 Ų13039.9 Ų39.970%0.69522%0.221SC*.THydrogen-bonded Turntrans-85.3-8.3-178.8-71-31.6000113.1G182 K186G182-D184 PolarHBondContact O-N 2.88Å; D184-K186 PolarHBondContact O-N 2.82Å
185K70.2Confident86.6Confident92 Ų9239.9 Ų39.940%0.422%0.221SC..  trans-95.290.3-175.8-64-71.2-177.1-173.50108.8Y181 G182 L183 V187Y181-K185 VanDerWaalsContact O-CG 3.25Å; Y181-K185 WeakPolarHBondContact O-CG 3.19Å; G182-K185 PolarHBondContact O-N 3.38Å; G182-K185 VanDerWaalsContact O-N 3.07Å; L183-K185 VanDerWaalsContact C-N 3.33Å; K185-V187 HydrophobicContact CB-CG2 3.6Å; K185-V187 PolarHBondContact O-N 3.41Å
186K60.6Low86.8Confident215 Ų21539.9 Ų39.994%0.93522%0.221SC*.  trans-66.571159.4-65.1-172.4-179.6-173.20109.2D184D184-K186 PolarHBondContact O-N 2.82Å
187V57.4Low86.8Confident40 Ų4040.2 Ų40.224%0.24222%0.223CC..  trans-82.3125.5175.8-165.80000107.8K185 G189 R191K185-V187 HydrophobicContact CB-CG2 3.6Å; K185-V187 PolarHBondContact O-N 3.41Å; V187-G189 PolarHBondContact O-N 2.62Å; V187-R191 HydrophobicContact CG1-CG 3.92Å
188G70Confident86.9Confident80 Ų8040.2 Ų40.283%0.82522%0.223SC*.SBendtrans-72117.8164.100000109.6
189G82.8Confident86.9Confident37 Ų3740.7 Ų40.738%0.38123%0.228SC..SBendtrans92.3170.7172.300000115.8V187V187-G189 PolarHBondContact O-N 2.62Å
190E90.7Very high86.9Confident103 Ų10341.6 Ų41.648%0.48124%0.238SC..  trans-59.7129-179.4-170-172.1168.700112.4T209E190-T209 HydrophobicContact CG-CG2 3.34Å; E190-T209 VanDerWaalsContact OE1-CG2 3.29Å; E190-T209 WeakPolarHBondContact OE1-CG2 3.4Å
191R93.5Very high86.8Confident75 Ų7541.3 Ų41.328%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-126.5124.7171.3-85.3-160.8-178.8-172.57.8113Y181 V187 V193 T209 I210 H330 D331Y181-R191 PolarHBondContact OH-NH1 2.75Å; V187-R191 HydrophobicContact CG1-CG 3.92Å; R191-V193 HydrophobicContact CB-CG2 4.39Å; R191-T209 CarbonylContact O-C 3.3Å; R191-T209 WeakPolarHBondContact O-CA 3.29Å; R191-I210 PolarHBondContact N-O 3.31Å; R191-I210 PolarHBondContact O-N 3.29Å; R191-H330 HydrophobicContact CG-CB 4.34Å; R191-D331 IonicContact CZ-OD2 3.5Å; R191-D331 IonicContact NE-OD2 3.38Å; R191-D331 IonicContact NH1-OD1 2.67Å; R191-D331 IonicContact NH1-OD2 2.71Å; R191-D331 PolarHBondContact NH1-OD2 3.13Å
192N96.7Very high86.7Confident11 Ų1141.5 Ų41.56%0.05924%0.237CC..EExtended strand (participates in β ladder)trans-85.5123.4166.3-54.7-45000110.5L208 T209 M324 Q328 I329 H330N192-L208 CarbonylContact C-O 3.52Å; N192-L208 VanDerWaalsContact CA-O 3.31Å; N192-L208 WeakPolarHBondContact CA-O 3.47Å; N192-T209 PolarHBondContact OD1-OG1 2.82Å; N192-M324 HydrophobicContact CB-CE 4.41Å; N192-M324 HydrophobicContact CB-SD 4.03Å; N192-M324 WeakPolarHBondContact OD1-CE 3.45Å; N192-Q328 WeakPolarHBondContact CB-O 3.19Å; N192-Q328 PolarHBondContact ND2-O 2.87Å; N192-I329 HydrophobicContact CB-CD1 4.3Å; N192-H330 PolarHBondContact N-ND1 2.88Å; N192-H330 WeakPolarHBondContact O-CB 3.31Å; N192-H330 PolarHBondContact O-N 3.26Å; N192-H330 PolarHBondContact O-ND1 3.04Å
193V96.6Very high87Confident0 Ų041 Ų410%023%0.232CC..EExtended strand (participates in β ladder)trans-123.3134.1-176.8-176.70000108.8Y181 R191 I195 I207 L208 I210 D331 V333Y181-V193 HydrophobicContact CD1-CG1 4.29Å; Y181-V193 HydrophobicContact CD1-CG2 4.35Å; Y181-V193 HydrophobicContact CE1-CG1 4.22Å; Y181-V193 HydrophobicContact CE1-CG2 3.72Å; R191-V193 HydrophobicContact CB-CG2 4.39Å; V193-I195 HydrophobicContact CG1-CD1 3.88Å; V193-I207 WeakPolarHBondContact O-CA 3.45Å; V193-L208 PolarHBondContact N-O 2.88Å; V193-L208 PolarHBondContact O-N 2.87Å; V193-I210 HydrophobicContact CB-CD1 4.39Å; V193-I210 HydrophobicContact CG2-CD1 3.83Å; V193-I210 HydrophobicContact CG2-CG1 4.4Å; V193-D331 WeakPolarHBondContact CA-O 3.24Å; V193-D331 HydrophobicContact CG1-CB 4.2Å; V193-D331 HydrophobicContact CG2-CB 4.32Å; V193-V333 HydrophobicContact CG1-CG2 3.59Å
194L98.2Very high87.6Confident0 Ų039.6 Ų39.60%022%0.224CC..EExtended strand (participates in β ladder)trans-98.7121.8168.1-175.3147.1000109.1F196 V205 S206 I207 V315 I329 D331 I332 V333 F352L194-F196 HydrophobicContact CD2-CB 3.8Å; L194-F196 HydrophobicContact CD2-CD2 4.41Å; L194-V205 HydrophobicContact CD1-CG1 3.88Å; L194-V205 HydrophobicContact CD2-CG1 4.07Å; L194-V205 HydrophobicContact CG-CG1 3.93Å; L194-S206 CarbonylContact C-O 3.52Å; L194-S206 WeakPolarHBondContact CA-O 3.33Å; L194-I207 HydrophobicContact CD1-CG1 4.18Å; L194-I207 HydrophobicContact CG-CG1 4.38Å; L194-V315 HydrophobicContact CD1-CG1 3.99Å; L194-I329 HydrophobicContact CB-CG2 3.83Å; L194-D331 PolarHBondContact N-O 3.4Å; L194-I332 HydrophobicContact CD2-CG2 4Å; L194-I332 CarbonylContact O-C 3.48Å; L194-I332 WeakPolarHBondContact O-CA 3.42Å; L194-V333 PolarHBondContact O-N 3.4Å; L194-F352 HydrophobicContact CD1-CE2 4.22Å; L194-F352 HydrophobicContact CD1-CZ 3.76Å
195I97.9Very high88.7Confident0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-91.7119.2168.9-52.1-58000107.6P174 A177 A178 V193 V205 S206 L208 V333 V335P174-I195 HydrophobicContact CB-CB 4.15Å; P174-I195 HydrophobicContact CB-CG2 3.81Å; A177-I195 HydrophobicContact CB-CG2 4.26Å; A178-I195 HydrophobicContact CB-CD1 3.96Å; A178-I195 HydrophobicContact CB-CG1 4.04Å; V193-I195 HydrophobicContact CG1-CD1 3.88Å; I195-V205 VanDerWaalsContact O-CA 3.3Å; I195-V205 WeakPolarHBondContact O-CA 3.46Å; I195-S206 PolarHBondContact N-O 2.69Å; I195-S206 PolarHBondContact O-N 3.47Å; I195-L208 HydrophobicContact CB-CD1 4.47Å; I195-L208 HydrophobicContact CD1-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.49Å; I195-L208 VanDerWaalsContact CG1-CD1 3.49Å; I195-V333 HydrophobicContact CD1-CB 3.76Å; I195-V333 HydrophobicContact CD1-CG1 4.23Å; I195-V333 HydrophobicContact CD1-CG2 4.07Å; I195-V335 HydrophobicContact CG2-CB 4.46Å; I195-V335 HydrophobicContact CG2-CG2 3.7Å
196F98Very high90Very high1 Ų129 Ų290%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-108.596.5175-170.9-82.7000108L194 L198 F203 V205 T311 V315 V333 L334 V335 T339 V344 L348L194-F196 HydrophobicContact CD2-CB 3.8Å; L194-F196 HydrophobicContact CD2-CD2 4.41Å; F196-L198 HydrophobicContact CD1-CB 4.31Å; F196-L198 HydrophobicContact CE1-CB 3.86Å; F196-L198 HydrophobicContact CE1-CD2 4.28Å; F196-F203 HydrophobicContact CD1-CE2 4.03Å; F196-F203 AromaticContact CD2-CE2 3.87Å; F196-F203 HydrophobicContact CD2-CE2 3.87Å; F196-F203 AromaticContact CD2-CZ 3.98Å; F196-F203 HydrophobicContact CD2-CZ 3.98Å; F196-F203 HydrophobicContact CE1-CD2 4.46Å; F196-F203 AromaticContact CE1-CE2 3.64Å; F196-F203 HydrophobicContact CE1-CE2 3.64Å; F196-F203 HydrophobicContact CE1-CZ 4.33Å; F196-F203 AromaticContact CE2-CE2 3.48Å; F196-F203 HydrophobicContact CE2-CE2 3.48Å; F196-F203 VanDerWaalsContact CE2-CE2 3.48Å; F196-F203 AromaticContact CE2-CZ 3.37Å; F196-F203 HydrophobicContact CE2-CZ 3.37Å; F196-F203 HydrophobicContact CG-CE2 4.14Å; F196-F203 HydrophobicContact CZ-CD2 4.42Å; F196-F203 AromaticContact CZ-CE2 3.36Å; F196-F203 HydrophobicContact CZ-CE2 3.36Å; F196-F203 AromaticContact CZ-CZ 3.58Å; F196-F203 HydrophobicContact CZ-CZ 3.58Å; F196-V205 HydrophobicContact CD2-CG2 4.25Å; F196-T311 HydrophobicContact CZ-CG2 4.44Å; F196-V315 HydrophobicContact CD2-CG2 3.86Å; F196-V315 HydrophobicContact CE2-CG2 3.75Å; F196-V333 PolarHBondContact N-O 2.94Å; F196-L334 HydrophobicContact CB-CD2 4.32Å; F196-L334 HydrophobicContact CD1-CD2 4.33Å; F196-V335 PolarHBondContact O-N 2.79Å; F196-T339 HydrophobicContact CD1-CG2 3.88Å; F196-T339 HydrophobicContact CE1-CG2 4.27Å; F196-V344 HydrophobicContact CE1-CG1 3.62Å; F196-V344 HydrophobicContact CZ-CG1 3.88Å; F196-L348 HydrophobicContact CB-CD2 4.02Å; F196-L348 HydrophobicContact CD1-CD2 4.17Å; F196-L348 HydrophobicContact CD2-CD1 3.8Å; F196-L348 HydrophobicContact CD2-CD2 3.66Å; F196-L348 HydrophobicContact CD2-CG 4.38Å; F196-L348 HydrophobicContact CE2-CD1 3.94Å; F196-L348 HydrophobicContact CE2-CD2 4.11Å; F196-L348 HydrophobicContact CG-CD2 3.69Å
197D97Very high91.7Very high6 Ų618.8 Ų18.83%0.03213%0.128CC..EExtended strand (participates in β ladder)trans-101.799.9-176.6-169.9-8.3000110.5F203 D204 V335D197-F203 CarbonylContact O-C 3.54Å; D197-F203 VanDerWaalsContact O-CA 3.3Å; D197-F203 WeakPolarHBondContact O-CA 3.42Å; D197-F203 VanDerWaalsContact O-CD2 3.26Å; D197-F203 WeakPolarHBondContact O-CD2 3.45Å; D197-D204 WeakPolarHBondContact CA-O 3.44Å; D197-D204 HydrophobicContact CB-CB 4.33Å; D197-D204 PolarHBondContact N-O 2.81Å; D197-D204 PolarHBondContact O-N 2.87Å; D197-V335 CarbonylContact C-O 3.57Å; D197-V335 WeakPolarHBondContact CA-O 3.32Å; D197-V335 HydrophobicContact CB-CB 3.98Å; D197-V335 HydrophobicContact CB-CG1 4.25Å
198L97.2Very high93.6Very high0 Ų016.9 Ų16.90%012%0.117CC..EExtended strand (participates in β ladder)trans-114.694.9176.5-172.567.2000109.1F196 F203 L226 F231 T311 V335 G336 S338 T339 V344F196-L198 HydrophobicContact CD1-CB 4.31Å; F196-L198 HydrophobicContact CE1-CB 3.86Å; F196-L198 HydrophobicContact CE1-CD2 4.28Å; L198-F203 HydrophobicContact CB-CD2 3.95Å; L198-F203 HydrophobicContact CB-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CB 3.7Å; L198-F203 HydrophobicContact CD1-CD2 3.53Å; L198-F203 HydrophobicContact CD1-CE2 4.41Å; L198-F203 HydrophobicContact CD1-CG 3.78Å; L198-F203 HydrophobicContact CG-CD2 4.3Å; L198-L226 HydrophobicContact CD1-CG 4.46Å; L198-F231 HydrophobicContact CD2-CE2 4.27Å; L198-F231 HydrophobicContact CD2-CZ 4.29Å; L198-T311 HydrophobicContact CD1-CG2 4.34Å; L198-T311 HydrophobicContact CD2-CG2 4.48Å; L198-V335 PolarHBondContact N-O 3.47Å; L198-G336 CarbonylContact O-C 3.53Å; L198-G336 VanDerWaalsContact O-C 3.32Å; L198-G336 WeakPolarHBondContact O-CA 3.1Å; L198-S338 VanDerWaalsContact O-CB 3.26Å; L198-S338 WeakPolarHBondContact O-CB 3.29Å; L198-S338 PolarHBondContact O-N 2.78Å; L198-T339 HydrophobicContact CB-CG2 3.79Å; L198-V344 HydrophobicContact CD2-CG1 3.88Å; L198-V344 HydrophobicContact CD2-CG2 4Å
199G95.2Very high94.8Very high11 Ų1113.4 Ų13.411%0.1138%0.079CC..  trans-88.5-155.9-176.200000114.3T202 G227 G228 S338G199-T202 PolarHBondContact N-O 3.1Å; G199-G227 WeakPolarHBondContact O-CA 3.2Å; G199-G228 PolarHBondContact O-N 3.46Å; G199-S338 PolarHBondContact O-OG 3.29Å
200G93.4Very high95.3Very high19 Ų1912.8 Ų12.820%0.1967%0.067CC..SBendtrans-77.4-30.617700000113.8T12 G227 G228 E229T12-G200 WeakPolarHBondContact OG1-CA 3.32Å; G200-G227 CarbonylContact O-C 3.54Å; G200-G228 PolarHBondContact O-N 3.44Å; G200-E229 WeakPolarHBondContact O-CB 3.09Å; G200-E229 PolarHBondContact O-N 3.23Å
201G91Very high95.3Very high0 Ų012 Ų120%06%0.063CC..SBendtrans-146.11.617900000116.5R70 T224R70-G201 PolarHBondContact NH2-O 2.81Å; G201-T224 VanDerWaalsContact O-O 3.13Å
202T91.1Very high95Very high10 Ų1014.5 Ų14.56%0.0618%0.082CC..  trans-132148177.949.60000109.5P145 G199 L226P145-T202 HydrophobicContact CB-CG2 4.21Å; P145-T202 HydrophobicContact CG-CG2 3.79Å; G199-T202 PolarHBondContact N-O 3.1Å; T202-L226 CarbonylContact C-O 3.55Å
203F94.7Very high94.5Very high0 Ų015.3 Ų15.30%09%0.093CC..EExtended strand (participates in β ladder)trans-125.5117.5172.9175.4-128.8000108.9F196 D197 L198 V205 G222 D223 L226 T311 P314F196-F203 HydrophobicContact CD1-CE2 4.03Å; F196-F203 AromaticContact CD2-CE2 3.87Å; F196-F203 HydrophobicContact CD2-CE2 3.87Å; F196-F203 AromaticContact CD2-CZ 3.98Å; F196-F203 HydrophobicContact CD2-CZ 3.98Å; F196-F203 HydrophobicContact CE1-CD2 4.46Å; F196-F203 AromaticContact CE1-CE2 3.64Å; F196-F203 HydrophobicContact CE1-CE2 3.64Å; F196-F203 HydrophobicContact CE1-CZ 4.33Å; F196-F203 AromaticContact CE2-CE2 3.48Å; F196-F203 HydrophobicContact CE2-CE2 3.48Å; F196-F203 VanDerWaalsContact CE2-CE2 3.48Å; F196-F203 AromaticContact CE2-CZ 3.37Å; F196-F203 HydrophobicContact CE2-CZ 3.37Å; F196-F203 HydrophobicContact CG-CE2 4.14Å; F196-F203 HydrophobicContact CZ-CD2 4.42Å; F196-F203 AromaticContact CZ-CE2 3.36Å; F196-F203 HydrophobicContact CZ-CE2 3.36Å; F196-F203 AromaticContact CZ-CZ 3.58Å; F196-F203 HydrophobicContact CZ-CZ 3.58Å; D197-F203 CarbonylContact O-C 3.54Å; D197-F203 VanDerWaalsContact O-CA 3.3Å; D197-F203 WeakPolarHBondContact O-CA 3.42Å; D197-F203 VanDerWaalsContact O-CD2 3.26Å; D197-F203 WeakPolarHBondContact O-CD2 3.45Å; L198-F203 HydrophobicContact CB-CD2 3.95Å; L198-F203 HydrophobicContact CB-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CB 3.7Å; L198-F203 HydrophobicContact CD1-CD2 3.53Å; L198-F203 HydrophobicContact CD1-CE2 4.41Å; L198-F203 HydrophobicContact CD1-CG 3.78Å; L198-F203 HydrophobicContact CG-CD2 4.3Å; F203-V205 HydrophobicContact CE1-CG2 3.87Å; F203-V205 HydrophobicContact CE2-CG2 3.69Å; F203-V205 HydrophobicContact CZ-CG2 3.23Å; F203-G222 CarbonylContact O-C 3.59Å; F203-G222 WeakPolarHBondContact O-CA 3.1Å; F203-D223 PolarHBondContact N-O 2.77Å; F203-D223 PolarHBondContact O-N 2.67Å; F203-L226 HydrophobicContact CB-CB 4.07Å; F203-L226 HydrophobicContact CB-CD2 4.27Å; F203-L226 HydrophobicContact CB-CG 4.23Å; F203-L226 WeakPolarHBondContact CB-O 3.48Å; F203-L226 HydrophobicContact CD1-CD2 3.96Å; F203-L226 HydrophobicContact CG-CD2 4.34Å; F203-L226 PolarHBondContact N-O 3.21Å; F203-T311 HydrophobicContact CD1-CG2 4.42Å; F203-T311 VanDerWaalsContact CE1-CA 3.49Å; F203-T311 HydrophobicContact CE1-CG2 4.25Å; F203-T311 WeakPolarHBondContact CE1-O 3.28Å; F203-T311 HydrophobicContact CZ-CG2 4.38Å; F203-T311 VanDerWaalsContact CZ-O 3.24Å; F203-T311 WeakPolarHBondContact CZ-O 3.42Å; F203-P314 HydrophobicContact CD1-CB 4.35Å; F203-P314 HydrophobicContact CD1-CG 3.94Å; F203-P314 HydrophobicContact CE1-CB 3.73Å; F203-P314 HydrophobicContact CE1-CG 3.58Å; F203-P314 HydrophobicContact CZ-CB 4.49Å
204D94.3Very high94.3Very high1 Ų118.5 Ų18.51%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-123.6145.4175.3-73.1-56.5000110.4P145 A146 P174 D197 A221P145-D204 VanDerWaalsContact CA-OD2 3.29Å; P145-D204 WeakPolarHBondContact CA-OD2 3.45Å; P145-D204 VanDerWaalsContact CB-OD2 3.29Å; P145-D204 WeakPolarHBondContact CB-OD2 3.47Å; A146-D204 PolarHBondContact N-OD2 2.83Å; P174-D204 HydrophobicContact CG-CB 4.21Å; D197-D204 WeakPolarHBondContact CA-O 3.44Å; D197-D204 HydrophobicContact CB-CB 4.33Å; D197-D204 PolarHBondContact N-O 2.81Å; D197-D204 PolarHBondContact O-N 2.87Å; D204-A221 CarbonylContact C-O 3.51Å
205V96.4Very high94Very high0 Ų018.9 Ų18.90%011%0.111CC..EExtended strand (participates in β ladder)trans-129.5124.1173.2-177.90000107.6L194 I195 F196 F203 T220 A221 P314 V315 A318L194-V205 HydrophobicContact CD1-CG1 3.88Å; L194-V205 HydrophobicContact CD2-CG1 4.07Å; L194-V205 HydrophobicContact CG-CG1 3.93Å; I195-V205 VanDerWaalsContact O-CA 3.3Å; I195-V205 WeakPolarHBondContact O-CA 3.46Å; F196-V205 HydrophobicContact CD2-CG2 4.25Å; F203-V205 HydrophobicContact CE1-CG2 3.87Å; F203-V205 HydrophobicContact CE2-CG2 3.69Å; F203-V205 HydrophobicContact CZ-CG2 3.23Å; V205-T220 CarbonylContact O-C 3.51Å; V205-T220 WeakPolarHBondContact O-CA 3.25Å; V205-A221 PolarHBondContact N-O 3.48Å; V205-A221 PolarHBondContact O-N 3.2Å; V205-A221 VanDerWaalsContact O-O 3.05Å; V205-P314 HydrophobicContact CG2-CB 4.05Å; V205-V315 HydrophobicContact CG1-CG2 4.22Å; V205-V315 HydrophobicContact CG2-CG2 3.85Å; V205-A318 HydrophobicContact CB-CB 4.5Å; V205-A318 HydrophobicContact CG1-CB 3.92Å
206S96.5Very high93.9Very high1 Ų121.6 Ų21.61%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-129.5140.1174.5-62.80000110.7P174 L194 I195 S219 T220P174-S206 WeakPolarHBondContact CB-OG 3.45Å; P174-S206 VanDerWaalsContact CG-OG 3.3Å; P174-S206 WeakPolarHBondContact CG-OG 3.34Å; L194-S206 CarbonylContact C-O 3.52Å; L194-S206 WeakPolarHBondContact CA-O 3.33Å; I195-S206 PolarHBondContact N-O 2.69Å; I195-S206 PolarHBondContact O-N 3.47Å; S206-S219 WeakPolarHBondContact CA-O 3.44Å; S206-T220 PolarHBondContact OG-OG1 3.43Å
207I98.1Very high93.8Very high0 Ų021.6 Ų21.60%012%0.124CC..EExtended strand (participates in β ladder)trans-105.7125.2171.3-63.4174000107.1V193 L194 K218 S219 A318 L319 A322 M324 I329V193-I207 WeakPolarHBondContact O-CA 3.45Å; L194-I207 HydrophobicContact CD1-CG1 4.18Å; L194-I207 HydrophobicContact CG-CG1 4.38Å; I207-K218 HydrophobicContact CG2-CB 4.47Å; I207-K218 PolarHBondContact O-N 3.43Å; I207-S219 PolarHBondContact N-O 2.8Å; I207-S219 PolarHBondContact O-N 3.24Å; I207-A318 VanDerWaalsContact CD1-C 3.5Å; I207-A318 HydrophobicContact CD1-CB 4Å; I207-A318 HydrophobicContact CG1-CB 4.22Å; I207-L319 HydrophobicContact CD1-CB 4.35Å; I207-L319 HydrophobicContact CD1-CD2 3.75Å; I207-L319 HydrophobicContact CD1-CG 3.95Å; I207-A322 HydrophobicContact CB-CB 4.27Å; I207-A322 HydrophobicContact CD1-CB 3.92Å; I207-A322 HydrophobicContact CG2-CB 4.16Å; I207-M324 HydrophobicContact CG2-SD 3.81Å; I207-I329 HydrophobicContact CD1-CD1 4.18Å; I207-I329 HydrophobicContact CG1-CD1 4.41Å; I207-I329 HydrophobicContact CG2-CD1 3.94Å
208L96.8Very high93.8Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-121.8147.2178.3-60.892.3000110.2A178 N192 V193 I195 E216 V217A178-L208 HydrophobicContact CB-CD1 3.95Å; A178-L208 HydrophobicContact CB-CD2 3.53Å; A178-L208 HydrophobicContact CB-CG 4.32Å; N192-L208 CarbonylContact C-O 3.52Å; N192-L208 VanDerWaalsContact CA-O 3.31Å; N192-L208 WeakPolarHBondContact CA-O 3.47Å; V193-L208 PolarHBondContact N-O 2.88Å; V193-L208 PolarHBondContact O-N 2.87Å; I195-L208 HydrophobicContact CB-CD1 4.47Å; I195-L208 HydrophobicContact CD1-CD1 4.49Å; I195-L208 HydrophobicContact CG1-CD1 3.49Å; I195-L208 VanDerWaalsContact CG1-CD1 3.49Å; L208-E216 CarbonylContact C-O 3.6Å; L208-E216 VanDerWaalsContact CA-O 3.23Å; L208-E216 WeakPolarHBondContact CA-O 3.21Å; L208-V217 HydrophobicContact CD2-CG2 3.65Å; L208-V217 HydrophobicContact CG-CB 4.43Å; L208-V217 HydrophobicContact CG-CG2 3.96Å
209T95.5Very high93.7Very high7 Ų724.1 Ų24.14%0.04313%0.134CC..EExtended strand (participates in β ladder)trans-102.4125.6163.9-610000107.9E190 R191 N192 E216 K218E190-T209 HydrophobicContact CG-CG2 3.34Å; E190-T209 VanDerWaalsContact OE1-CG2 3.29Å; E190-T209 WeakPolarHBondContact OE1-CG2 3.4Å; R191-T209 CarbonylContact O-C 3.3Å; R191-T209 WeakPolarHBondContact O-CA 3.29Å; N192-T209 PolarHBondContact OD1-OG1 2.82Å; T209-E216 PolarHBondContact N-O 3.43Å; T209-E216 PolarHBondContact O-N 2.89Å; T209-K218 WeakPolarHBondContact OG1-CE 3.43Å
210I93.1Very high93.6Very high23 Ų2323.6 Ų23.612%0.11813%0.129CC..EExtended strand (participates in β ladder)trans-114.2119.7179.3-53.2176000107.9Y181 R191 V193 I214 F215Y181-I210 HydrophobicContact CD1-CD1 3.86Å; Y181-I210 HydrophobicContact CE1-CD1 4.04Å; R191-I210 PolarHBondContact N-O 3.31Å; R191-I210 PolarHBondContact O-N 3.29Å; V193-I210 HydrophobicContact CB-CD1 4.39Å; V193-I210 HydrophobicContact CG2-CD1 3.83Å; V193-I210 HydrophobicContact CG2-CG1 4.4Å; I210-I214 WeakPolarHBondContact CA-O 3.37Å; I210-F215 HydrophobicContact CD1-CD1 3.91Å; I210-F215 HydrophobicContact CD1-CE1 3.77Å; I210-F215 HydrophobicContact CG1-CD1 3.83Å; I210-F215 HydrophobicContact CG1-CE1 4.08Å; I210-F215 HydrophobicContact CG2-CD1 4.21Å; I210-F215 HydrophobicContact CG2-CE1 3.93Å; I210-F215 HydrophobicContact CG2-CZ 4.12Å
211E91.4Very high93.4Very high87 Ų8722.7 Ų22.741%0.40712%0.12SC..EExtended strand (participates in β ladder)trans-148.7124179.9-174.8176.6-15700109.5G213 I214E211-G213 VanDerWaalsContact C-N 3.28Å; E211-G213 PolarHBondContact O-N 3.24Å; E211-G213 VanDerWaalsContact O-N 3.08Å; E211-I214 PolarHBondContact N-O 3Å; E211-I214 VanDerWaalsContact N-O 3.07Å; E211-I214 WeakPolarHBondContact O-CA 3.29Å; E211-I214 VanDerWaalsContact O-CB 3.3Å; E211-I214 WeakPolarHBondContact O-CB 3.4Å; E211-I214 PolarHBondContact O-N 3.36Å
212D86.2Confident93.3Very high128 Ų12823.6 Ų23.668%0.68413%0.129SC*.THydrogen-bonded Turntrans45.744.4173.8-64-23.3000115.2I214D212-I214 VanDerWaalsContact C-N 3.28Å; D212-I214 PolarHBondContact O-N 3.13Å
213G86.5Confident93Very high27 Ų2726.4 Ų26.428%0.27814%0.144SC..THydrogen-bonded Turntrans83.1-4.5-179.900000114.9E211 F215 L389 L390E211-G213 VanDerWaalsContact C-N 3.28Å; E211-G213 PolarHBondContact O-N 3.24Å; E211-G213 VanDerWaalsContact O-N 3.08Å; G213-F215 VanDerWaalsContact O-CD2 3.31Å; G213-F215 WeakPolarHBondContact O-CD2 3.47Å; G213-L389 VanDerWaalsContact O-CA 3.31Å; G213-L389 WeakPolarHBondContact O-CA 3.15Å; G213-L390 PolarHBondContact O-N 3.28Å
214I91.2Very high92.3Very high68 Ų6827.9 Ų27.935%0.34915%0.153SC..EExtended strand (participates in β ladder)trans-87.5122.1173.6-53.2175.5000109I210 E211 D212 L390 L392I210-I214 WeakPolarHBondContact CA-O 3.37Å; E211-I214 PolarHBondContact N-O 3Å; E211-I214 VanDerWaalsContact N-O 3.07Å; E211-I214 WeakPolarHBondContact O-CA 3.29Å; E211-I214 VanDerWaalsContact O-CB 3.3Å; E211-I214 WeakPolarHBondContact O-CB 3.4Å; E211-I214 PolarHBondContact O-N 3.36Å; D212-I214 VanDerWaalsContact C-N 3.28Å; D212-I214 PolarHBondContact O-N 3.13Å; I214-L390 CarbonylContact C-O 3.53Å; I214-L390 WeakPolarHBondContact CA-O 3.37Å; I214-L390 HydrophobicContact CG1-CB 4.36Å; I214-L390 HydrophobicContact CG2-CD2 4.47Å; I214-L392 HydrophobicContact CG2-CD1 4.27Å
215F93.7Very high91.8Very high7 Ų729.9 Ų29.93%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-108.2100.8174.4-67-102.9000108.2A178 I179 I210 G213 L389 L390 L391 L392A178-F215 HydrophobicContact CB-CD1 4.4Å; A178-F215 VanDerWaalsContact O-CE1 3.32Å; A178-F215 WeakPolarHBondContact O-CE1 3.09Å; I179-F215 HydrophobicContact CG1-CD1 4.48Å; I210-F215 HydrophobicContact CD1-CD1 3.91Å; I210-F215 HydrophobicContact CD1-CE1 3.77Å; I210-F215 HydrophobicContact CG1-CD1 3.83Å; I210-F215 HydrophobicContact CG1-CE1 4.08Å; I210-F215 HydrophobicContact CG2-CD1 4.21Å; I210-F215 HydrophobicContact CG2-CE1 3.93Å; I210-F215 HydrophobicContact CG2-CZ 4.12Å; G213-F215 VanDerWaalsContact O-CD2 3.31Å; G213-F215 WeakPolarHBondContact O-CD2 3.47Å; F215-L389 HydrophobicContact CD2-CD1 4.2Å; F215-L389 HydrophobicContact CD2-CD2 4.19Å; F215-L389 HydrophobicContact CD2-CG 3.85Å; F215-L389 HydrophobicContact CE2-CD1 3.68Å; F215-L389 HydrophobicContact CE2-CD2 4.47Å; F215-L389 HydrophobicContact CE2-CG 3.7Å; F215-L389 HydrophobicContact CZ-CD1 4.33Å; F215-L390 PolarHBondContact N-O 3.17Å; F215-L391 HydrophobicContact CB-CD1 3.92Å; F215-L392 PolarHBondContact O-N 3.35Å
216E95.2Very high91.5Very high57 Ų5730.1 Ų30.127%0.26616%0.163SC..EExtended strand (participates in β ladder)trans-108.1113.6-178.5-168.8-170.1157.600111L208 T209 K218 L392L208-E216 CarbonylContact C-O 3.6Å; L208-E216 VanDerWaalsContact CA-O 3.23Å; L208-E216 WeakPolarHBondContact CA-O 3.21Å; T209-E216 PolarHBondContact N-O 3.43Å; T209-E216 PolarHBondContact O-N 2.89Å; E216-K218 HydrophobicContact CG-CD 4.47Å; E216-K218 PolarHBondContact O-N 2.86Å; E216-K218 IonicContact OE1-NZ 2.75Å; E216-K218 PolarHBondContact OE1-NZ 2.7Å; E216-K218 WeakPolarHBondContact OE2-CE 3.34Å; E216-K218 IonicContact OE2-NZ 2.59Å; E216-K218 PolarHBondContact OE2-NZ 2.75Å; E216-L392 HydrophobicContact CB-CB 4.37Å; E216-L392 HydrophobicContact CB-CD1 4.47Å; E216-L392 HydrophobicContact CG-CB 4.06Å; E216-L392 HydrophobicContact CG-CD1 4.15Å
217V96Very high91.4Very high1 Ų130 Ų301%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-71.6121.5172.2-172.90000108.7T175 L208 L392 V394T175-V217 HydrophobicContact CG2-CG2 4.48Å; L208-V217 HydrophobicContact CD2-CG2 3.65Å; L208-V217 HydrophobicContact CG-CB 4.43Å; L208-V217 HydrophobicContact CG-CG2 3.96Å; V217-L392 PolarHBondContact N-O 3.48Å; V217-V394 HydrophobicContact CB-CG1 4.21Å; V217-V394 HydrophobicContact CB-CG2 4.17Å; V217-V394 HydrophobicContact CG1-CG1 4.48Å; V217-V394 HydrophobicContact CG1-CG2 3.63Å; V217-V394 WeakPolarHBondContact O-CG1 3.48Å
218K97.1Very high91.3Very high59 Ų5930.1 Ų30.126%0.25716%0.164SC..EExtended strand (participates in β ladder)trans-91.7-35.6178.1-61.4-62.6179.6178.90111.9I207 T209 E216 A322 M324I207-K218 HydrophobicContact CG2-CB 4.47Å; I207-K218 PolarHBondContact O-N 3.43Å; T209-K218 WeakPolarHBondContact OG1-CE 3.43Å; E216-K218 HydrophobicContact CG-CD 4.47Å; E216-K218 PolarHBondContact O-N 2.86Å; E216-K218 IonicContact OE1-NZ 2.75Å; E216-K218 PolarHBondContact OE1-NZ 2.7Å; E216-K218 WeakPolarHBondContact OE2-CE 3.34Å; E216-K218 IonicContact OE2-NZ 2.59Å; E216-K218 PolarHBondContact OE2-NZ 2.75Å; K218-A322 HydrophobicContact CB-CB 4.01Å; K218-M324 HydrophobicContact CG-CE 4.08Å
219S95.2Very high91.2Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-159.2154.6175.766.60000112S206 I207 A318 N415S206-S219 WeakPolarHBondContact CA-O 3.44Å; I207-S219 PolarHBondContact N-O 2.8Å; I207-S219 PolarHBondContact O-N 3.24Å; S219-A318 WeakPolarHBondContact CB-O 3.44Å; S219-A318 WeakPolarHBondContact OG-CA 3.5Å; S219-A318 PolarHBondContact OG-O 2.75Å; S219-N415 WeakPolarHBondContact CA-OD1 3.33Å
220T92.7Very high91.1Very high1 Ų131.1 Ų31.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-134.9138.5170.7-173.10000112A146 Y147 V205 S206 V394 P396 R414 N415A146-T220 HydrophobicContact CB-CG2 4.46Å; A146-T220 VanDerWaalsContact CB-OG1 3.28Å; A146-T220 WeakPolarHBondContact CB-OG1 3.38Å; Y147-T220 HydrophobicContact CE2-CG2 4.19Å; Y147-T220 PolarHBondContact OH-O 3.32Å; V205-T220 CarbonylContact O-C 3.51Å; V205-T220 WeakPolarHBondContact O-CA 3.25Å; S206-T220 PolarHBondContact OG-OG1 3.43Å; T220-V394 HydrophobicContact CG2-CG2 4.12Å; T220-P396 HydrophobicContact CG2-CB 3.71Å; T220-R414 PolarHBondContact O-NH2 2.86Å; T220-N415 PolarHBondContact N-OD1 2.88Å; T220-N415 VanDerWaalsContact N-OD1 3.15Å
221A90Very high91.4Very high0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-139.2156.5177.500000109.5Y147 D204 V205 P314 K317 A318Y147-A221 WeakPolarHBondContact OH-CA 3.31Å; D204-A221 CarbonylContact C-O 3.51Å; V205-A221 PolarHBondContact N-O 3.48Å; V205-A221 PolarHBondContact O-N 3.2Å; V205-A221 VanDerWaalsContact O-O 3.05Å; A221-P314 HydrophobicContact CB-CB 3.87Å; A221-P314 WeakPolarHBondContact CB-O 3.43Å; A221-K317 HydrophobicContact CB-CB 4.17Å; A221-K317 HydrophobicContact CB-CD 4.16Å; A221-K317 HydrophobicContact CB-CG 4.2Å; A221-A318 HydrophobicContact CB-CB 4.02Å
222G88.1Confident91.6Very high19 Ų1925.9 Ų25.920%0.19614%0.144CC..EExtended strand (participates in β ladder)trans179.1177.5179.500000113.6F203F203-G222 CarbonylContact O-C 3.59Å; F203-G222 WeakPolarHBondContact O-CA 3.1Å
223D83.8Confident92Very high68 Ų6820.7 Ų20.736%0.36412%0.116SC..EExtended strand (participates in β ladder)trans-132.3121.8169.8-172.8-13.4000109.1F203 H225 L226F203-D223 PolarHBondContact N-O 2.77Å; F203-D223 PolarHBondContact O-N 2.67Å; D223-H225 PolarHBondContact O-N 2.6Å; D223-H225 PolarHBondContact OD1-N 3.24Å; D223-L226 HydrophobicContact CB-CB 3.85Å; D223-L226 HydrophobicContact CB-CD2 4.42Å
224T81Confident92.5Very high31 Ų3123.1 Ų23.119%0.1912%0.117CC..THydrogen-bonded Turntrans-78-2.7-177.355.40000113.8R74 G201R74-T224 PolarHBondContact NH2-OG1 3.36Å; G201-T224 VanDerWaalsContact O-O 3.13Å
225H83.3Confident92.9Very high43 Ų4319.9 Ų19.920%0.19910%0.1CC..THydrogen-bonded Turntrans-13642.4178.9-54.686.8000111.9R70 R74 S80 D84 D223R70-H225 PolarHBondContact NH1-CD2 3.42Å; R74-H225 VanDerWaalsContact CZ-CE1 3.44Å; R74-H225 PolarHBondContact NH2-CE1 3Å; R74-H225 PolarHBondContact NH2-NE2 3.49Å; S80-H225 WeakPolarHBondContact CB-CE1 3.46Å; S80-H225 WeakPolarHBondContact CB-NE2 3.48Å; S80-H225 PolarHBondContact OG-CE1 3.4Å; S80-H225 PolarHBondContact OG-NE2 2.94Å; D84-H225 IonicContact OD2-CD2 3.55Å; D223-H225 PolarHBondContact O-N 2.6Å; D223-H225 PolarHBondContact OD1-N 3.24Å
226L90.2Very high93Very high5 Ų519.9 Ų19.93%0.02610%0.101CC..  trans-132.7111.6173.817959.5000109.7L198 T202 F203 D223 D230 F231 L307 T311L198-L226 HydrophobicContact CD1-CG 4.46Å; T202-L226 CarbonylContact C-O 3.55Å; F203-L226 HydrophobicContact CB-CB 4.07Å; F203-L226 HydrophobicContact CB-CD2 4.27Å; F203-L226 HydrophobicContact CB-CG 4.23Å; F203-L226 WeakPolarHBondContact CB-O 3.48Å; F203-L226 HydrophobicContact CD1-CD2 3.96Å; F203-L226 HydrophobicContact CG-CD2 4.34Å; F203-L226 PolarHBondContact N-O 3.21Å; D223-L226 HydrophobicContact CB-CB 3.85Å; D223-L226 HydrophobicContact CB-CD2 4.42Å; L226-D230 WeakPolarHBondContact CA-OD2 3.49Å; L226-F231 HydrophobicContact CD1-CE1 4.11Å; L226-F231 HydrophobicContact CD1-CZ 4.42Å; L226-L307 HydrophobicContact CD1-CB 3.93Å; L226-L307 HydrophobicContact CD1-CD2 4.13Å; L226-L307 HydrophobicContact CD1-CG 4.45Å; L226-T311 HydrophobicContact CD2-CG2 3.78Å
227G94Very high93.1Very high0 Ų020.4 Ų20.40%011%0.105CC..SBendtrans-171.2-163.9176.100000114.1G199 G200 E229 D230 F231G199-G227 WeakPolarHBondContact O-CA 3.2Å; G200-G227 CarbonylContact O-C 3.54Å; G227-E229 VanDerWaalsContact C-N 3.29Å; G227-E229 PolarHBondContact O-N 3.37Å; G227-D230 PolarHBondContact N-OD2 2.79Å; G227-D230 WeakPolarHBondContact O-CB 3.49Å; G227-D230 PolarHBondContact O-N 3.18Å; G227-D230 VanDerWaalsContact O-N 3.1Å; G227-F231 WeakPolarHBondContact O-CD2 3.38Å; G227-F231 PolarHBondContact O-N 3.36Å
228G96.1Very high93.2Very high2 Ų222.3 Ų22.32%0.02111%0.114CC..Hα-helixtrans-53-39.6-177.900000115G199 G200 D230 F231 D232 K269 S338G199-G228 PolarHBondContact O-N 3.46Å; G200-G228 PolarHBondContact O-N 3.44Å; G228-D230 VanDerWaalsContact C-N 3.33Å; G228-F231 PolarHBondContact O-N 3.29Å; G228-D232 VanDerWaalsContact O-CG 3.29Å; G228-D232 PolarHBondContact O-N 3.38Å; G228-K269 PolarHBondContact O-NZ 3.33Å; G228-S338 VanDerWaalsContact CA-OG 3.29Å; G228-S338 WeakPolarHBondContact CA-OG 3.29Å; G228-S338 PolarHBondContact N-OG 3.16Å
229E94.2Very high93.3Very high5 Ų519.5 Ų19.52%0.02310%0.102CC..Hα-helixtrans-67.1-33.7179.5-73.7-64.4151.600112.1G200 G227 F231 D232 N233 R262G200-E229 WeakPolarHBondContact O-CB 3.09Å; G200-E229 PolarHBondContact O-N 3.23Å; G227-E229 VanDerWaalsContact C-N 3.29Å; G227-E229 PolarHBondContact O-N 3.37Å; E229-F231 VanDerWaalsContact C-N 3.31Å; E229-F231 PolarHBondContact O-N 3.42Å; E229-D232 PolarHBondContact O-N 2.97Å; E229-N233 WeakPolarHBondContact O-CB 3.33Å; E229-N233 VanDerWaalsContact O-CG 3.23Å; E229-N233 PolarHBondContact O-N 2.95Å; E229-N233 PolarHBondContact O-ND2 2.75Å; E229-R262 IonicContact OE2-NH1 3.25Å
230D95.2Very high93.4Very high22 Ų2219.7 Ų19.712%0.11810%0.103CC..Hα-helixtrans-69-35.9177.8-54.6-66.8000110.6R70 L226 G227 G228 N233 R234 L307R70-D230 IonicContact NH2-OD1 2.62Å; R70-D230 IonicContact NH2-OD2 2.87Å; R70-D230 PolarHBondContact NH2-OD2 3.07Å; L226-D230 WeakPolarHBondContact CA-OD2 3.49Å; G227-D230 PolarHBondContact N-OD2 2.79Å; G227-D230 WeakPolarHBondContact O-CB 3.49Å; G227-D230 PolarHBondContact O-N 3.18Å; G227-D230 VanDerWaalsContact O-N 3.1Å; G228-D230 VanDerWaalsContact C-N 3.33Å; D230-N233 PolarHBondContact O-N 2.97Å; D230-R234 WeakPolarHBondContact O-CG 3.46Å; D230-R234 PolarHBondContact O-N 2.89Å; D230-L307 HydrophobicContact CB-CD1 4.24Å
231F97.7Very high93.6Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-67.5-39.1172.1-48.6-34.6000112.2L198 L226 G227 G228 E229 R234 M235 K269 F300 N304 L307 F308 I341L198-F231 HydrophobicContact CD2-CE2 4.27Å; L198-F231 HydrophobicContact CD2-CZ 4.29Å; L226-F231 HydrophobicContact CD1-CE1 4.11Å; L226-F231 HydrophobicContact CD1-CZ 4.42Å; G227-F231 WeakPolarHBondContact O-CD2 3.38Å; G227-F231 PolarHBondContact O-N 3.36Å; G228-F231 PolarHBondContact O-N 3.29Å; E229-F231 VanDerWaalsContact C-N 3.31Å; E229-F231 PolarHBondContact O-N 3.42Å; F231-R234 PolarHBondContact O-N 2.85Å; F231-M235 PolarHBondContact O-N 2.95Å; F231-K269 HydrophobicContact CB-CD 4.02Å; F231-F300 HydrophobicContact CB-CE2 4.18Å; F231-F300 HydrophobicContact CB-CZ 4.3Å; F231-N304 WeakPolarHBondContact CA-OD1 3.16Å; F231-N304 HydrophobicContact CD1-CB 4.31Å; F231-L307 HydrophobicContact CD1-CB 4.35Å; F231-L307 HydrophobicContact CD1-CD1 3.87Å; F231-L307 HydrophobicContact CE1-CB 3.83Å; F231-L307 HydrophobicContact CE1-CD1 4.07Å; F231-F308 HydrophobicContact CD1-CD1 4.47Å; F231-F308 AromaticContact CD1-CE1 3.85Å; F231-F308 HydrophobicContact CD1-CE1 3.85Å; F231-F308 HydrophobicContact CD2-CE1 4.16Å; F231-F308 AromaticContact CE1-CD1 3.84Å; F231-F308 HydrophobicContact CE1-CD1 3.84Å; F231-F308 AromaticContact CE1-CE1 3.58Å; F231-F308 HydrophobicContact CE1-CE1 3.58Å; F231-F308 AromaticContact CE2-CE1 3.91Å; F231-F308 HydrophobicContact CE2-CE1 3.91Å; F231-F308 HydrophobicContact CG-CE1 4.16Å; F231-F308 AromaticContact CZ-CD1 3.92Å; F231-F308 HydrophobicContact CZ-CD1 3.92Å; F231-F308 AromaticContact CZ-CE1 3.62Å; F231-F308 HydrophobicContact CZ-CE1 3.62Å; F231-I341 HydrophobicContact CD2-CD1 3.64Å; F231-I341 HydrophobicContact CE2-CD1 3.74Å
232D96.7Very high94Very high1 Ų127.6 Ų27.61%0.00514%0.138CC..Hα-helixtrans-64.9-41175.5-66-27.1000110.9G228 E229 R234 M235 V236 E266 K269G228-D232 VanDerWaalsContact O-CG 3.29Å; G228-D232 PolarHBondContact O-N 3.38Å; E229-D232 PolarHBondContact O-N 2.97Å; D232-R234 VanDerWaalsContact C-N 3.34Å; D232-R234 PolarHBondContact O-N 3.2Å; D232-M235 WeakPolarHBondContact O-CB 3.27Å; D232-M235 PolarHBondContact O-N 3.36Å; D232-M235 VanDerWaalsContact O-N 3.14Å; D232-V236 WeakPolarHBondContact O-CG2 3.43Å; D232-V236 PolarHBondContact O-N 3.43Å; D232-E266 WeakPolarHBondContact OD1-CA 3.38Å; D232-K269 VanDerWaalsContact OD1-CD 3.24Å; D232-K269 WeakPolarHBondContact OD1-CD 3.21Å; D232-K269 VanDerWaalsContact OD1-CE 3.22Å; D232-K269 WeakPolarHBondContact OD1-CE 3.15Å; D232-K269 IonicContact OD1-NZ 2.69Å; D232-K269 PolarHBondContact OD1-NZ 3.49Å; D232-K269 IonicContact OD2-NZ 2.72Å; D232-K269 PolarHBondContact OD2-NZ 3.24Å
233N95.2Very high94.4Very high18 Ų1826.7 Ų26.710%0.09613%0.128CC..Hα-helixtrans-57.3-44.5175.5-75.1-31.1000111.9E229 D230 M235 V236 D237 R262E229-N233 WeakPolarHBondContact O-CB 3.33Å; E229-N233 VanDerWaalsContact O-CG 3.23Å; E229-N233 PolarHBondContact O-N 2.95Å; E229-N233 PolarHBondContact O-ND2 2.75Å; D230-N233 PolarHBondContact O-N 2.97Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 2.84Å; N233-V236 PolarHBondContact O-N 3.27Å; N233-D237 WeakPolarHBondContact O-CB 3.47Å; N233-D237 PolarHBondContact O-N 3.37Å; N233-R262 PolarHBondContact OD1-NH1 2.71Å; N233-R262 PolarHBondContact OD1-NH2 2.93Å
234R97Very high95Very high79 Ų7926.9 Ų26.930%0.29813%0.127SC..Hα-helixtrans-61.1-39.2176.2-65.8-62.5-173.589.2-0.7112.4D230 F231 D232 H238 L303 N304 D306 L307D230-R234 WeakPolarHBondContact O-CG 3.46Å; D230-R234 PolarHBondContact O-N 2.89Å; F231-R234 PolarHBondContact O-N 2.85Å; D232-R234 VanDerWaalsContact C-N 3.34Å; D232-R234 PolarHBondContact O-N 3.2Å; R234-H238 WeakPolarHBondContact O-CB 3.47Å; R234-H238 PolarHBondContact O-N 3.35Å; R234-H238 VanDerWaalsContact O-N 3.11Å; R234-L303 PolarHBondContact NH1-O 2.98Å; R234-N304 WeakPolarHBondContact CB-OD1 3.43Å; R234-N304 VanDerWaalsContact CG-OD1 3.26Å; R234-N304 WeakPolarHBondContact CG-OD1 3.05Å; R234-D306 IonicContact CZ-OD1 2.67Å; R234-D306 IonicContact CZ-OD2 2.98Å; R234-D306 IonicContact NH1-OD1 3.04Å; R234-D306 PolarHBondContact NH1-OD1 2.77Å; R234-D306 IonicContact NH1-OD2 2.76Å; R234-D306 PolarHBondContact NH1-OD2 3.23Å; R234-D306 IonicContact NH2-OD1 3.01Å; R234-D306 IonicContact NH2-OD2 3.61Å; R234-D306 PolarHBondContact NH2-OD2 3.1Å; R234-L307 HydrophobicContact CG-CD1 4.09Å
235M98.1Very high95.8Very high0 Ų034.5 Ų34.50%016%0.157CC..Hα-helixtrans-68.1-46.1176-68.4178.965.800111.5F231 D232 N233 D237 H238 F239 C265 A268 K269 I295 F300F231-M235 PolarHBondContact O-N 2.95Å; D232-M235 WeakPolarHBondContact O-CB 3.27Å; D232-M235 PolarHBondContact O-N 3.36Å; D232-M235 VanDerWaalsContact O-N 3.14Å; N233-M235 VanDerWaalsContact C-N 3.31Å; N233-M235 PolarHBondContact O-N 2.84Å; M235-D237 PolarHBondContact O-N 2.83Å; M235-H238 WeakPolarHBondContact O-CB 3.24Å; M235-H238 PolarHBondContact O-N 2.97Å; M235-F239 HydrophobicContact CB-CD2 4.42Å; M235-F239 HydrophobicContact CB-CE2 4.33Å; M235-F239 HydrophobicContact CE-CE2 4.14Å; M235-F239 WeakPolarHBondContact O-CD2 3.34Å; M235-F239 PolarHBondContact O-N 3.05Å; M235-C265 HydrophobicContact CB-CB 3.86Å; M235-C265 HydrophobicContact CE-CB 4.17Å; M235-C265 WeakPolarHBondContact CE-O 3.26Å; M235-C265 HydrophobicContact SD-CB 4.5Å; M235-A268 HydrophobicContact CE-CB 3.85Å; M235-K269 HydrophobicContact SD-CB 3.89Å; M235-I295 HydrophobicContact CE-CD1 4.25Å; M235-F300 HydrophobicContact CG-CD2 3.92Å; M235-F300 HydrophobicContact CG-CE2 4.24Å; M235-F300 HydrophobicContact SD-CD2 3.5Å; M235-F300 VanDerWaalsContact SD-CD2 3.5Å; M235-F300 HydrophobicContact SD-CE2 3.66Å
236V97.3Very high96.5Very high7 Ų737.5 Ų37.54%0.04217%0.17CC..Hα-helixtrans-57.9-49.3177.1171.90000110.3D232 N233 H238 F239 V240 L258 L261 R262 C265D232-V236 WeakPolarHBondContact O-CG2 3.43Å; D232-V236 PolarHBondContact O-N 3.43Å; N233-V236 PolarHBondContact O-N 3.27Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 2.92Å; V236-F239 PolarHBondContact O-N 2.82Å; V236-V240 HydrophobicContact CG1-CG2 4.06Å; V236-V240 WeakPolarHBondContact O-CB 3.13Å; V236-V240 VanDerWaalsContact O-CG2 3.22Å; V236-V240 WeakPolarHBondContact O-CG2 3.31Å; V236-V240 PolarHBondContact O-N 3.04Å; V236-L258 HydrophobicContact CG1-CD2 4.34Å; V236-L261 HydrophobicContact CG1-CD2 4.34Å; V236-R262 HydrophobicContact CG2-CB 3.88Å; V236-R262 HydrophobicContact CG2-CG 4.22Å; V236-C265 HydrophobicContact CG2-CB 4.17Å
237D96.8Very high96.7Very high67 Ų6741.2 Ų41.236%0.35818%0.184SC..Hα-helixtrans-60.3-39178.6-78.8-16.3000112.8N233 M235 K241N233-D237 WeakPolarHBondContact O-CB 3.47Å; N233-D237 PolarHBondContact O-N 3.37Å; M235-D237 PolarHBondContact O-N 2.83Å; D237-K241 VanDerWaalsContact O-CG 3.31Å; D237-K241 WeakPolarHBondContact O-CG 3.09Å; D237-K241 PolarHBondContact O-N 2.87Å
238H98Very high96.7Very high41 Ų4148.3 Ų48.319%0.1922%0.222CC..Hα-helixtrans-62.5-49.4175.6178.349.7000111.4R234 M235 V236 K241 E242 R299 L303R234-H238 WeakPolarHBondContact O-CB 3.47Å; R234-H238 PolarHBondContact O-N 3.35Å; R234-H238 VanDerWaalsContact O-N 3.11Å; M235-H238 WeakPolarHBondContact O-CB 3.24Å; M235-H238 PolarHBondContact O-N 2.97Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 PolarHBondContact O-N 2.92Å; H238-K241 PolarHBondContact O-N 3.37Å; H238-E242 PolarHBondContact O-N 3.39Å; H238-R299 PolarHBondContact CE1-NH2 2.95Å; H238-L303 HydrophobicContact CB-CD1 3.96Å; H238-L303 HydrophobicContact CB-CD2 4.08Å
239F98.3Very high96.6Very high1 Ų151.2 Ų51.20%0.00423%0.234CC..Hα-helixtrans-77-27.4-176.4-69.1-55.9000114.1M235 V236 K241 E242 F243 L261 L280 F291 T293 I295M235-F239 HydrophobicContact CB-CD2 4.42Å; M235-F239 HydrophobicContact CB-CE2 4.33Å; M235-F239 HydrophobicContact CE-CE2 4.14Å; M235-F239 WeakPolarHBondContact O-CD2 3.34Å; M235-F239 PolarHBondContact O-N 3.05Å; V236-F239 PolarHBondContact O-N 2.82Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-E242 PolarHBondContact O-N 2.81Å; F239-F243 VanDerWaalsContact O-CB 3.31Å; F239-F243 WeakPolarHBondContact O-CB 3.08Å; F239-F243 PolarHBondContact O-N 2.86Å; F239-L261 HydrophobicContact CB-CD1 3.86Å; F239-L261 HydrophobicContact CB-CD2 4.02Å; F239-L261 HydrophobicContact CB-CG 4.44Å; F239-L261 HydrophobicContact CG-CD1 4.47Å; F239-L280 HydrophobicContact CD2-CD2 3.79Å; F239-L280 HydrophobicContact CE1-CD1 4.39Å; F239-L280 HydrophobicContact CE2-CD1 3.85Å; F239-L280 HydrophobicContact CE2-CD2 3.52Å; F239-L280 HydrophobicContact CE2-CG 4.37Å; F239-L280 HydrophobicContact CG-CD2 4.49Å; F239-L280 HydrophobicContact CZ-CD1 3.59Å; F239-L280 HydrophobicContact CZ-CD2 4.02Å; F239-L280 HydrophobicContact CZ-CG 4.45Å; F239-F291 HydrophobicContact CB-CE1 3.99Å; F239-F291 HydrophobicContact CB-CZ 4.22Å; F239-F291 HydrophobicContact CD1-CE1 4.15Å; F239-F291 HydrophobicContact CD1-CZ 4.02Å; F239-F291 HydrophobicContact CG-CE1 4.25Å; F239-F291 HydrophobicContact CG-CZ 4.46Å; F239-T293 HydrophobicContact CD1-CG2 3.76Å; F239-T293 HydrophobicContact CE1-CG2 3.46Å; F239-T293 VanDerWaalsContact CE1-CG2 3.46Å; F239-T293 HydrophobicContact CZ-CG2 4.21Å; F239-I295 HydrophobicContact CE2-CD1 4.08Å; F239-I295 HydrophobicContact CZ-CB 3.91Å; F239-I295 HydrophobicContact CZ-CD1 3.66Å; F239-I295 HydrophobicContact CZ-CG1 4.34Å; F239-I295 HydrophobicContact CZ-CG2 4.24Å
240V97.5Very high96.6Very high3 Ų354.2 Ų54.22%0.01825%0.25CS..Hα-helixtrans-59.7-45.8168.2167.50000109.9V236 F243 Q244 I251 R252 L258 L261V236-V240 HydrophobicContact CG1-CG2 4.06Å; V236-V240 WeakPolarHBondContact O-CB 3.13Å; V236-V240 VanDerWaalsContact O-CG2 3.22Å; V236-V240 WeakPolarHBondContact O-CG2 3.31Å; V236-V240 PolarHBondContact O-N 3.04Å; V240-F243 PolarHBondContact O-N 3.42Å; V240-Q244 WeakPolarHBondContact O-CB 3.4Å; V240-Q244 PolarHBondContact O-N 3.34Å; V240-I251 HydrophobicContact CG1-CG1 4.46Å; V240-I251 HydrophobicContact CG2-CD1 4.15Å; V240-I251 HydrophobicContact CG2-CG1 4.09Å; V240-R252 HydrophobicContact CG1-CG 3.78Å; V240-L258 HydrophobicContact CG2-CD2 3.68Å; V240-L261 HydrophobicContact CG2-CD2 3.78Å
241K97.9Very high96.6Very high130 Ų13053.1 Ų53.157%0.56525%0.245SC*.Hα-helixtrans-65.6-39.3176.4-68.9170-173.8172.10111.7D237 H238 F239 K245D237-K241 VanDerWaalsContact O-CG 3.31Å; D237-K241 WeakPolarHBondContact O-CG 3.09Å; D237-K241 PolarHBondContact O-N 2.87Å; H238-K241 PolarHBondContact O-N 3.37Å; F239-K241 VanDerWaalsContact C-N 3.32Å; K241-K245 WeakPolarHBondContact O-CB 3.19Å; K241-K245 PolarHBondContact O-N 3.42Å
242E97.4Very high96.4Very high37 Ų3758.3 Ų58.317%0.17326%0.264CS..Hα-helixtrans-64.9-45.8176.7-169.8-176.7133.900112.1H238 F239 Q244 K245 K246 T293H238-E242 PolarHBondContact O-N 3.39Å; F239-E242 PolarHBondContact O-N 2.81Å; E242-Q244 VanDerWaalsContact C-N 3.35Å; E242-Q244 PolarHBondContact O-N 3.36Å; E242-K245 PolarHBondContact O-N 2.89Å; E242-K246 HydrophobicContact CG-CD 4.09Å; E242-K246 HydrophobicContact CG-CG 4.45Å; E242-K246 WeakPolarHBondContact O-CB 3.32Å; E242-K246 PolarHBondContact O-N 3.41Å; E242-K246 VanDerWaalsContact OE1-CE 3.26Å; E242-K246 WeakPolarHBondContact OE1-CE 3.46Å; E242-K246 IonicContact OE1-NZ 3.04Å; E242-K246 PolarHBondContact OE1-NZ 2.88Å; E242-T293 WeakPolarHBondContact OE1-CB 3.4Å; E242-T293 PolarHBondContact OE1-OG1 3.25Å
243F97.3Very high96.1Very high0 Ų063.5 Ų63.50%030%0.3CS..Hα-helixtrans-60.7-45.6176.3-174-94.3000110.9F239 V240 K245 K246 Y247 K249 I251 L285 C286 T289 F291F239-F243 VanDerWaalsContact O-CB 3.31Å; F239-F243 WeakPolarHBondContact O-CB 3.08Å; F239-F243 PolarHBondContact O-N 2.86Å; V240-F243 PolarHBondContact O-N 3.42Å; F243-K245 VanDerWaalsContact C-N 3.3Å; F243-K245 PolarHBondContact O-N 3.11Å; F243-K246 PolarHBondContact O-N 2.95Å; F243-Y247 AromaticContact CD2-CD2 3.44Å; F243-Y247 HydrophobicContact CD2-CD2 3.44Å; F243-Y247 VanDerWaalsContact CD2-CD2 3.44Å; F243-Y247 AromaticContact CD2-CE2 3.77Å; F243-Y247 HydrophobicContact CD2-CE2 3.77Å; F243-Y247 HydrophobicContact CD2-CG 4.45Å; F243-Y247 AromaticContact CE2-CD2 3.53Å; F243-Y247 HydrophobicContact CE2-CD2 3.53Å; F243-Y247 AromaticContact CE2-CE2 3.94Å; F243-Y247 HydrophobicContact CE2-CE2 3.94Å; F243-Y247 HydrophobicContact CE2-CG 4.18Å; F243-Y247 AromaticContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CZ-CD2 4.16Å; F243-Y247 HydrophobicContact CZ-CG 4.44Å; F243-Y247 WeakPolarHBondContact O-CD2 3.29Å; F243-Y247 PolarHBondContact O-N 3.18Å; F243-K249 HydrophobicContact CD1-CB 4.41Å; F243-K249 WeakPolarHBondContact CD1-O 3.28Å; F243-K249 HydrophobicContact CE1-CB 3.73Å; F243-I251 HydrophobicContact CD1-CG2 3.62Å; F243-I251 HydrophobicContact CE1-CG2 3.42Å; F243-I251 VanDerWaalsContact CE1-CG2 3.42Å; F243-I251 HydrophobicContact CZ-CG2 4.29Å; F243-L285 HydrophobicContact CD2-CD2 3.79Å; F243-L285 HydrophobicContact CE2-CB 4.38Å; F243-L285 HydrophobicContact CE2-CD2 3.9Å; F243-L285 HydrophobicContact CE2-CG 4.43Å; F243-L285 HydrophobicContact CG-CD2 4.35Å; F243-C286 HydrophobicContact CE1-CB 4.05Å; F243-C286 HydrophobicContact CZ-CB 3.9Å; F243-T289 HydrophobicContact CE2-CG2 4.17Å; F243-T289 HydrophobicContact CZ-CG2 4.18Å; F243-F291 HydrophobicContact CB-CE2 4.23Å; F243-F291 HydrophobicContact CB-CZ 4.47Å; F243-F291 HydrophobicContact CD2-CB 4.03Å; F243-F291 AromaticContact CD2-CD2 3.59Å; F243-F291 HydrophobicContact CD2-CD2 3.59Å; F243-F291 HydrophobicContact CD2-CE2 4.13Å; F243-F291 AromaticContact CD2-CG 3.84Å; F243-F291 HydrophobicContact CD2-CG 3.84Å; F243-F291 HydrophobicContact CE2-CB 4.13Å; F243-F291 HydrophobicContact CE2-CD2 4.36Å; F243-F291 HydrophobicContact CE2-CG 4.44Å
244Q96.8Very high96Very high72 Ų7265.1 Ų65.134%0.33631%0.309SS..Hα-helixtrans-58.7-41.6174.8-172.9174.413.200111.8V240 E242 N248 K249V240-Q244 WeakPolarHBondContact O-CB 3.4Å; V240-Q244 PolarHBondContact O-N 3.34Å; E242-Q244 VanDerWaalsContact C-N 3.35Å; E242-Q244 PolarHBondContact O-N 3.36Å; Q244-N248 WeakPolarHBondContact O-CA 3.48Å; Q244-N248 PolarHBondContact O-N 3.19Å; Q244-K249 VanDerWaalsContact CA-O 3.29Å; Q244-K249 WeakPolarHBondContact CA-O 3.37Å
245K97.1Very high95.8Very high191 Ų19166 Ų6683%0.8332%0.315SS*.Hα-helixtrans-68.6-41.3177.5-176.9-179.5176.7-1770113K241 E242 F243K241-K245 WeakPolarHBondContact O-CB 3.19Å; K241-K245 PolarHBondContact O-N 3.42Å; E242-K245 PolarHBondContact O-N 2.89Å; F243-K245 VanDerWaalsContact C-N 3.3Å; F243-K245 PolarHBondContact O-N 3.11Å
246K96.8Very high95.5Very high106 Ų10672.2 Ų72.246%0.46134%0.339SS..Hα-helixtrans-76-38.2-176.1-77.9-179.8171.61740112.9E242 F243 F291E242-K246 HydrophobicContact CG-CD 4.09Å; E242-K246 HydrophobicContact CG-CG 4.45Å; E242-K246 WeakPolarHBondContact O-CB 3.32Å; E242-K246 PolarHBondContact O-N 3.41Å; E242-K246 VanDerWaalsContact OE1-CE 3.26Å; E242-K246 WeakPolarHBondContact OE1-CE 3.46Å; E242-K246 IonicContact OE1-NZ 3.04Å; E242-K246 PolarHBondContact OE1-NZ 2.88Å; F243-K246 PolarHBondContact O-N 2.95Å; K246-F291 HydrophobicContact CD-CE2 4.43Å
247Y95.8Very high95.4Very high84 Ų8472 Ų7233%0.32934%0.337SS..Hα-helixtrans-120.9-0.1-169.8-53.7-79.6000114.1F243 K249 T289 D290 F291F243-Y247 AromaticContact CD2-CD2 3.44Å; F243-Y247 HydrophobicContact CD2-CD2 3.44Å; F243-Y247 VanDerWaalsContact CD2-CD2 3.44Å; F243-Y247 AromaticContact CD2-CE2 3.77Å; F243-Y247 HydrophobicContact CD2-CE2 3.77Å; F243-Y247 HydrophobicContact CD2-CG 4.45Å; F243-Y247 AromaticContact CE2-CD2 3.53Å; F243-Y247 HydrophobicContact CE2-CD2 3.53Å; F243-Y247 AromaticContact CE2-CE2 3.94Å; F243-Y247 HydrophobicContact CE2-CE2 3.94Å; F243-Y247 HydrophobicContact CE2-CG 4.18Å; F243-Y247 AromaticContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CG-CD2 3.99Å; F243-Y247 HydrophobicContact CZ-CD2 4.16Å; F243-Y247 HydrophobicContact CZ-CG 4.44Å; F243-Y247 WeakPolarHBondContact O-CD2 3.29Å; F243-Y247 PolarHBondContact O-N 3.18Å; Y247-K249 PolarHBondContact O-N 2.99Å; Y247-T289 HydrophobicContact CD1-CG2 3.31Å; Y247-T289 HydrophobicContact CD2-CG2 4.28Å; Y247-T289 HydrophobicContact CE1-CG2 3.6Å; Y247-T289 HydrophobicContact CG-CG2 3.67Å; Y247-D290 PolarHBondContact OH-O 2.68Å; Y247-F291 AromaticContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CE2 4.28Å
248N94.2Very high95.3Very high148 Ų14870.9 Ų70.979%0.79133%0.331SS*.SBendtrans54.934.9-178.3-162.142.6000113.7Q244Q244-N248 WeakPolarHBondContact O-CA 3.48Å; Q244-N248 PolarHBondContact O-N 3.19Å
249K93.8Very high95.1Very high63 Ų6369.3 Ų69.327%0.27432%0.323SS..  trans-127.5130.4178.9-70.9178.7-175.3177.80109.9F243 Q244 Y247 T289F243-K249 HydrophobicContact CD1-CB 4.41Å; F243-K249 WeakPolarHBondContact CD1-O 3.28Å; F243-K249 HydrophobicContact CE1-CB 3.73Å; Q244-K249 VanDerWaalsContact CA-O 3.29Å; Q244-K249 WeakPolarHBondContact CA-O 3.37Å; Y247-K249 PolarHBondContact O-N 2.99Å; K249-T289 PolarHBondContact NZ-OG1 3.38Å
250D94.2Very high95Very high68 Ų6872.2 Ų72.236%0.36434%0.335SS..  trans-96.4123.2173.5-169.2-7.2000109.9R252D250-R252 VanDerWaalsContact CG-NH1 3.27Å; D250-R252 WeakPolarHBondContact OD1-CB 3.47Å; D250-R252 WeakPolarHBondContact OD1-CG 3.34Å; D250-R252 IonicContact OD1-CZ 3.93Å; D250-R252 PolarHBondContact OD1-N 3.26Å; D250-R252 IonicContact OD1-NH1 3.96Å; D250-R252 PolarHBondContact OD1-NH1 3.09Å; D250-R252 IonicContact OD2-CZ 3.32Å; D250-R252 IonicContact OD2-NH1 3.39Å; D250-R252 PolarHBondContact OD2-NH1 3.32Å
251I95Very high95Very high0 Ų072.1 Ų72.10%033%0.334CS..  trans-96.90.3-17963.9172000113V240 F243 S253 N254 A257 L258 L261 L285 C286V240-I251 HydrophobicContact CG1-CG1 4.46Å; V240-I251 HydrophobicContact CG2-CD1 4.15Å; V240-I251 HydrophobicContact CG2-CG1 4.09Å; F243-I251 HydrophobicContact CD1-CG2 3.62Å; F243-I251 HydrophobicContact CE1-CG2 3.42Å; F243-I251 VanDerWaalsContact CE1-CG2 3.42Å; F243-I251 HydrophobicContact CZ-CG2 4.29Å; I251-S253 PolarHBondContact O-N 3.13Å; I251-S253 VanDerWaalsContact O-N 3.15Å; I251-N254 PolarHBondContact O-N 3.43Å; I251-A257 HydrophobicContact CB-CB 4.11Å; I251-A257 HydrophobicContact CD1-CB 4.48Å; I251-A257 HydrophobicContact CG2-CB 4.37Å; I251-L258 HydrophobicContact CD1-CD2 4.29Å; I251-L258 HydrophobicContact CG1-CD2 4.14Å; I251-L261 HydrophobicContact CD1-CD2 3.87Å; I251-L285 HydrophobicContact CD1-CD2 4.08Å; I251-L285 HydrophobicContact CD1-CG 4.45Å; I251-C286 HydrophobicContact CG2-CB 3.58Å
252R92.7Very high94.9Very high108 Ų10866.8 Ų66.841%0.40831%0.31SS..THydrogen-bonded Turntrans-56.9-31.5-175.3-74.9173.5-171104.64.2114.1V240 D250 L258V240-R252 HydrophobicContact CG1-CG 3.78Å; D250-R252 VanDerWaalsContact CG-NH1 3.27Å; D250-R252 WeakPolarHBondContact OD1-CB 3.47Å; D250-R252 WeakPolarHBondContact OD1-CG 3.34Å; D250-R252 IonicContact OD1-CZ 3.93Å; D250-R252 PolarHBondContact OD1-N 3.26Å; D250-R252 IonicContact OD1-NH1 3.96Å; D250-R252 PolarHBondContact OD1-NH1 3.09Å; D250-R252 IonicContact OD2-CZ 3.32Å; D250-R252 IonicContact OD2-NH1 3.39Å; D250-R252 PolarHBondContact OD2-NH1 3.32Å; R252-L258 WeakPolarHBondContact O-CD1 3.33Å
253S90.8Very high94.7Very high110 Ų11067.6 Ų67.677%0.76932%0.318SS*.THydrogen-bonded Turntrans-83.5-15.6176.655.90000113.4I251 K255I251-S253 PolarHBondContact O-N 3.13Å; I251-S253 VanDerWaalsContact O-N 3.15Å; S253-K255 PolarHBondContact O-N 3.12Å
254N93.1Very high94.7Very high53 Ų5368.5 Ų68.528%0.28333%0.325SS..  trans-92.193.4-178.3-173.5-25.7000110.5I251 R256 A257 L258I251-N254 PolarHBondContact O-N 3.43Å; N254-R256 VanDerWaalsContact C-N 3.27Å; N254-R256 PolarHBondContact O-N 3.11Å; N254-R256 PolarHBondContact OD1-N 3.03Å; N254-A257 HydrophobicContact CB-CB 3.87Å; N254-A257 PolarHBondContact O-N 3.35Å; N254-A257 PolarHBondContact OD1-N 3.43Å; N254-L258 PolarHBondContact O-N 3.05Å
255K92.1Very high94.8Very high96 Ų9665.1 Ų65.142%0.41731%0.309SS..Hα-helixtrans-56.5-37.3-178.2-63-175.4178.3-172.20113.3P61 T62 P89 S253 R259P61-K255 HydrophobicContact CG-CB 4.22Å; T62-K255 HydrophobicContact CG2-CD 3.45Å; T62-K255 VanDerWaalsContact CG2-CD 3.45Å; P89-K255 HydrophobicContact CB-CB 4.43Å; P89-K255 HydrophobicContact CB-CD 4.32Å; P89-K255 WeakPolarHBondContact O-CD 3.49Å; P89-K255 WeakPolarHBondContact O-CE 3.39Å; P89-K255 PolarHBondContact O-NZ 3.32Å; S253-K255 PolarHBondContact O-N 3.12Å; K255-R259 WeakPolarHBondContact O-CB 3.44Å; K255-R259 PolarHBondContact O-N 3.02Å
256R92.8Very high94.7Very high132 Ų13256.5 Ų56.550%0.49827%0.272SS..Hα-helixtrans-66.9-48.5177.3174.4169.8-179.9-168.93.2111.1A58 M59 N254 R259 R260A58-R256 WeakPolarHBondContact O-CG 3.41Å; M59-R256 PolarHBondContact SD-NH2 2.92Å; M59-R256 VanDerWaalsContact SD-NH2 3.43Å; N254-R256 VanDerWaalsContact C-N 3.27Å; N254-R256 PolarHBondContact O-N 3.11Å; N254-R256 PolarHBondContact OD1-N 3.03Å; R256-R259 PolarHBondContact O-N 3.4Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.46Å; R256-R260 PolarHBondContact O-N 3.29Å
257A95.1Very high94.7Very high1 Ų160.6 Ų60.61%0.00829%0.285CS..Hα-helixtrans-60.7-48.1177.800000111.4I251 N254 R259 R260 L261 L285I251-A257 HydrophobicContact CB-CB 4.11Å; I251-A257 HydrophobicContact CD1-CB 4.48Å; I251-A257 HydrophobicContact CG2-CB 4.37Å; N254-A257 HydrophobicContact CB-CB 3.87Å; N254-A257 PolarHBondContact O-N 3.35Å; N254-A257 PolarHBondContact OD1-N 3.43Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 3.32Å; A257-R260 PolarHBondContact O-N 2.9Å; A257-L261 PolarHBondContact O-N 3.05Å; A257-L285 HydrophobicContact CB-CD1 4.03Å; A257-L285 HydrophobicContact CB-CG 4.45Å; A257-L285 WeakPolarHBondContact CB-O 3.4Å; A257-L285 WeakPolarHBondContact O-CD1 3.24Å
258L94.8Very high94.8Very high45 Ų4556.7 Ų56.724%0.23627%0.27CS..Hα-helixtrans-58.7-43176.8-78.7-179.5000112.6V236 V240 I251 R252 N254 L261 R262V236-L258 HydrophobicContact CG1-CD2 4.34Å; V240-L258 HydrophobicContact CG2-CD2 3.68Å; I251-L258 HydrophobicContact CD1-CD2 4.29Å; I251-L258 HydrophobicContact CG1-CD2 4.14Å; R252-L258 WeakPolarHBondContact O-CD1 3.33Å; N254-L258 PolarHBondContact O-N 3.05Å; L258-L261 PolarHBondContact O-N 3.28Å; L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 3.13Å
259R94.2Very high95Very high7 Ų750.6 Ų50.63%0.02624%0.236CC..Hα-helixtrans-65.1-42.4179.2-177.563.8-145.6-174.5-3.1111.9Y39 V57 P61 K255 R256 A257 L261 R262 T263Y39-R259 PolarHBondContact OH-NH1 2.85Å; Y39-R259 PolarHBondContact OH-NH2 3.21Å; V57-R259 HydrophobicContact CG1-CG 3.98Å; V57-R259 HydrophobicContact CG2-CG 3.94Å; P61-R259 HydrophobicContact CB-CB 4.28Å; P61-R259 HydrophobicContact CB-CG 4.49Å; K255-R259 WeakPolarHBondContact O-CB 3.44Å; K255-R259 PolarHBondContact O-N 3.02Å; R256-R259 PolarHBondContact O-N 3.4Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 3.32Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-L261 PolarHBondContact O-N 3.02Å; R259-R262 PolarHBondContact O-N 3.03Å; R259-T263 PolarHBondContact NE-OG1 2.79Å; R259-T263 PolarHBondContact O-N 3.34Å; R259-T263 PolarHBondContact O-OG1 3.06Å
260R95.5Very high95.2Very high63 Ų6353.5 Ų53.524%0.23825%0.245CC..Hα-helixtrans-61.3-43.3175.4-6817672.5-152-0.7111.5A58 R256 A257 T263 A264 I282 D283 S284 L285A58-R260 HydrophobicContact CB-CG 3.92Å; R256-R260 VanDerWaalsContact O-CG 3.31Å; R256-R260 WeakPolarHBondContact O-CG 3.46Å; R256-R260 PolarHBondContact O-N 3.29Å; A257-R260 PolarHBondContact O-N 2.9Å; R260-T263 PolarHBondContact O-N 3.25Å; R260-A264 PolarHBondContact O-N 3.46Å; R260-I282 HydrophobicContact CB-CG2 4.27Å; R260-D283 PolarHBondContact NH1-O 3.1Å; R260-D283 PolarHBondContact NH2-O 3.29Å; R260-S284 PolarHBondContact NH1-O 3.04Å; R260-L285 HydrophobicContact CB-CD1 4.4Å
261L97.2Very high95.3Very high0 Ų052.4 Ų52.40%024%0.241CC..Hα-helixtrans-61.8-44.6175179.460.1000112V236 F239 V240 I251 A257 L258 R259 T263 A264 C265 L280 I282 L285 F291V236-L261 HydrophobicContact CG1-CD2 4.34Å; F239-L261 HydrophobicContact CB-CD1 3.86Å; F239-L261 HydrophobicContact CB-CD2 4.02Å; F239-L261 HydrophobicContact CB-CG 4.44Å; F239-L261 HydrophobicContact CG-CD1 4.47Å; V240-L261 HydrophobicContact CG2-CD2 3.78Å; I251-L261 HydrophobicContact CD1-CD2 3.87Å; A257-L261 PolarHBondContact O-N 3.05Å; L258-L261 PolarHBondContact O-N 3.28Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-L261 PolarHBondContact O-N 3.02Å; L261-T263 PolarHBondContact O-N 3.45Å; L261-A264 PolarHBondContact O-N 3.05Å; L261-C265 PolarHBondContact O-N 2.88Å; L261-C265 PolarHBondContact O-SG 3.17Å; L261-L280 HydrophobicContact CD1-CD2 4.43Å; L261-I282 HydrophobicContact CB-CD1 4.26Å; L261-I282 HydrophobicContact CD1-CD1 3.8Å; L261-L285 HydrophobicContact CB-CD1 4.36Å; L261-F291 HydrophobicContact CD1-CD1 4.31Å; L261-F291 HydrophobicContact CD1-CE1 4.13Å
262R95.7Very high95.5Very high19 Ų1952.4 Ų52.47%0.07224%0.241CC..Hα-helixtrans-59.5-46.7176.2-178.1-179.6-67.1-77.7-3.5112E229 N233 V236 L258 R259 A264 C265 E266E229-R262 IonicContact OE2-NH1 3.25Å; N233-R262 PolarHBondContact OD1-NH1 2.71Å; N233-R262 PolarHBondContact OD1-NH2 2.93Å; V236-R262 HydrophobicContact CG2-CB 3.88Å; V236-R262 HydrophobicContact CG2-CG 4.22Å; L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 3.13Å; R259-R262 PolarHBondContact O-N 3.03Å; R262-A264 VanDerWaalsContact C-N 3.29Å; R262-A264 PolarHBondContact O-N 3.25Å; R262-C265 WeakPolarHBondContact O-CB 3.45Å; R262-C265 PolarHBondContact O-N 3.27Å; R262-C265 VanDerWaalsContact O-N 3.09Å; R262-E266 PolarHBondContact O-N 2.97Å
263T94.7Very high95.7Very high54 Ų5448.7 Ų48.733%0.33123%0.232SC..Hα-helixtrans-59.7-40.6176.3-66.40000111.9R259 R260 L261 R267R259-T263 PolarHBondContact NE-OG1 2.79Å; R259-T263 PolarHBondContact O-N 3.34Å; R259-T263 PolarHBondContact O-OG1 3.06Å; R260-T263 PolarHBondContact O-N 3.25Å; L261-T263 PolarHBondContact O-N 3.45Å; T263-R267 WeakPolarHBondContact O-CB 3.05Å; T263-R267 PolarHBondContact O-N 3.34Å; T263-R267 VanDerWaalsContact O-N 3.08Å
264A97.1Very high95.9Very high19 Ų1948.1 Ų48.116%0.15723%0.228CC..Hα-helixtrans-66.2-37.8173.700000112.6R260 L261 R262 R267 A268 L280 I282R260-A264 PolarHBondContact O-N 3.46Å; L261-A264 PolarHBondContact O-N 3.05Å; R262-A264 VanDerWaalsContact C-N 3.29Å; R262-A264 PolarHBondContact O-N 3.25Å; A264-R267 PolarHBondContact O-N 3.34Å; A264-A268 VanDerWaalsContact O-CB 3.26Å; A264-A268 WeakPolarHBondContact O-CB 3.4Å; A264-A268 PolarHBondContact O-N 2.8Å; A264-L280 HydrophobicContact CB-CD2 4.15Å; A264-I282 HydrophobicContact CB-CD1 3.61Å; A264-I282 HydrophobicContact CB-CG1 3.89Å
265C98Very high96.1Very high0 Ų047.8 Ų47.80%023%0.229CC..Hα-helixtrans-64.8-46.9175.8-67.20000112.1M235 V236 L261 R262 R267 A268 K269M235-C265 HydrophobicContact CB-CB 3.86Å; M235-C265 HydrophobicContact CE-CB 4.17Å; M235-C265 WeakPolarHBondContact CE-O 3.26Å; M235-C265 HydrophobicContact SD-CB 4.5Å; V236-C265 HydrophobicContact CG2-CB 4.17Å; L261-C265 PolarHBondContact O-N 2.88Å; L261-C265 PolarHBondContact O-SG 3.17Å; R262-C265 WeakPolarHBondContact O-CB 3.45Å; R262-C265 PolarHBondContact O-N 3.27Å; R262-C265 VanDerWaalsContact O-N 3.09Å; C265-R267 VanDerWaalsContact C-N 3.32Å; C265-R267 PolarHBondContact O-N 2.84Å; C265-A268 PolarHBondContact O-N 3.45Å; C265-K269 WeakPolarHBondContact O-CB 3.44Å; C265-K269 PolarHBondContact O-N 2.91Å
266E96.4Very high96.4Very high11 Ų1146.6 Ų46.65%0.05124%0.238CC..Hα-helixtrans-57.7-46.8176.1-174.5-163173.500110.4K54 D232 R262 K269 R270K54-E266 IonicContact NZ-OE1 2.91Å; K54-E266 PolarHBondContact NZ-OE1 2.88Å; K54-E266 IonicContact NZ-OE2 2.67Å; K54-E266 PolarHBondContact NZ-OE2 2.82Å; D232-E266 WeakPolarHBondContact OD1-CA 3.38Å; R262-E266 PolarHBondContact O-N 2.97Å; E266-K269 PolarHBondContact O-N 3.37Å; E266-R270 WeakPolarHBondContact O-CG 3.44Å; E266-R270 PolarHBondContact O-N 3.16Å; E266-R270 VanDerWaalsContact O-N 3.09Å; E266-R270 IonicContact OE1-CZ 3.55Å; E266-R270 IonicContact OE1-NE 3.59Å; E266-R270 PolarHBondContact OE1-NE 3.24Å; E266-R270 IonicContact OE1-NH2 2.77Å; E266-R270 PolarHBondContact OE1-NH2 3.28Å
267R96.5Very high96.6Very high192 Ų19246 Ų4673%0.72524%0.241SC*.Hα-helixtrans-60.9-47.6176.4-174178.3-177.6-179.11.2111.2T263 A264 C265 K269 R270 T271T263-R267 WeakPolarHBondContact O-CB 3.05Å; T263-R267 PolarHBondContact O-N 3.34Å; T263-R267 VanDerWaalsContact O-N 3.08Å; A264-R267 PolarHBondContact O-N 3.34Å; C265-R267 VanDerWaalsContact C-N 3.32Å; C265-R267 PolarHBondContact O-N 2.84Å; R267-K269 PolarHBondContact O-N 3.24Å; R267-R270 PolarHBondContact O-N 3.28Å; R267-T271 PolarHBondContact O-N 2.96Å; R267-T271 PolarHBondContact O-OG1 3.34Å; R267-T271 VanDerWaalsContact O-OG1 3.09Å
268A98.1Very high96.8Very high2 Ų247.2 Ų47.22%0.01725%0.248CC..Hα-helixtrans-60.6-45.1178.100000111.7M235 A264 C265 R270 T271 L272 T278 L280 I295M235-A268 HydrophobicContact CE-CB 3.85Å; A264-A268 VanDerWaalsContact O-CB 3.26Å; A264-A268 WeakPolarHBondContact O-CB 3.4Å; A264-A268 PolarHBondContact O-N 2.8Å; C265-A268 PolarHBondContact O-N 3.45Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 3.27Å; A268-T271 PolarHBondContact O-N 3.5Å; A268-L272 WeakPolarHBondContact O-CB 3.48Å; A268-L272 VanDerWaalsContact O-CG 3.23Å; A268-L272 WeakPolarHBondContact O-CG 3.34Å; A268-L272 PolarHBondContact O-N 3.03Å; A268-T278 HydrophobicContact CB-CG2 3.61Å; A268-L280 HydrophobicContact CB-CD1 3.87Å; A268-L280 HydrophobicContact CB-CD2 4.47Å; A268-L280 HydrophobicContact CB-CG 4.03Å; A268-I295 HydrophobicContact CB-CG2 4.41Å
269K97.9Very high96.9Very high19 Ų1948.9 Ų48.98%0.08326%0.257CS..Hα-helixtrans-54.5-47.2175.4178.7-173.872.4-1610111.9G228 F231 D232 M235 C265 E266 R267 L272 S273 F300G228-K269 PolarHBondContact O-NZ 3.33Å; F231-K269 HydrophobicContact CB-CD 4.02Å; D232-K269 VanDerWaalsContact OD1-CD 3.24Å; D232-K269 WeakPolarHBondContact OD1-CD 3.21Å; D232-K269 VanDerWaalsContact OD1-CE 3.22Å; D232-K269 WeakPolarHBondContact OD1-CE 3.15Å; D232-K269 IonicContact OD1-NZ 2.69Å; D232-K269 PolarHBondContact OD1-NZ 3.49Å; D232-K269 IonicContact OD2-NZ 2.72Å; D232-K269 PolarHBondContact OD2-NZ 3.24Å; M235-K269 HydrophobicContact SD-CB 3.89Å; C265-K269 WeakPolarHBondContact O-CB 3.44Å; C265-K269 PolarHBondContact O-N 2.91Å; E266-K269 PolarHBondContact O-N 3.37Å; R267-K269 PolarHBondContact O-N 3.24Å; K269-L272 PolarHBondContact O-N 3.39Å; K269-S273 PolarHBondContact O-N 3.28Å; K269-S273 PolarHBondContact O-OG 3.19Å; K269-F300 HydrophobicContact CB-CE2 4.47Å; K269-F300 HydrophobicContact CD-CE2 4.38Å; K269-F300 HydrophobicContact CD-CZ 4.25Å; K269-F300 HydrophobicContact CG-CE2 3.92Å; K269-F300 HydrophobicContact CG-CZ 3.74Å
270R96.7Very high97.1Very high124 Ų12448.7 Ų48.747%0.46826%0.256SS..Hα-helixtrans-62.1-49.2177.6-69.3176.2-175.2-146.70.2111.1Y13 E266 R267 A268 L272 S273Y13-R270 VanDerWaalsContact CZ-NH2 3.28Å; Y13-R270 PolarHBondContact OH-NH2 3.44Å; E266-R270 WeakPolarHBondContact O-CG 3.44Å; E266-R270 PolarHBondContact O-N 3.16Å; E266-R270 VanDerWaalsContact O-N 3.09Å; E266-R270 IonicContact OE1-CZ 3.55Å; E266-R270 IonicContact OE1-NE 3.59Å; E266-R270 PolarHBondContact OE1-NE 3.24Å; E266-R270 IonicContact OE1-NH2 2.77Å; E266-R270 PolarHBondContact OE1-NH2 3.28Å; R267-R270 PolarHBondContact O-N 3.28Å; A268-R270 VanDerWaalsContact C-N 3.33Å; A268-R270 PolarHBondContact O-N 3.27Å; R270-L272 VanDerWaalsContact C-N 3.28Å; R270-L272 PolarHBondContact O-N 2.87Å; R270-S273 VanDerWaalsContact O-CB 3.24Å; R270-S273 WeakPolarHBondContact O-CB 3.41Å; R270-S273 PolarHBondContact O-N 3.29Å
271T97.8Very high97.1Very high45 Ų4551.4 Ų51.428%0.27627%0.272SS..Hα-helixtrans-58.9-39.8176.9-53.80000111.8R267 A268 S273 S274 S275 T278R267-T271 PolarHBondContact O-N 2.96Å; R267-T271 PolarHBondContact O-OG1 3.34Å; R267-T271 VanDerWaalsContact O-OG1 3.09Å; A268-T271 PolarHBondContact O-N 3.5Å; T271-S273 PolarHBondContact O-N 2.94Å; T271-S273 VanDerWaalsContact O-N 3.15Å; T271-S274 PolarHBondContact O-N 3.3Å; T271-S274 VanDerWaalsContact O-N 3.1Å; T271-S274 PolarHBondContact O-OG 3.01Å; T271-S275 WeakPolarHBondContact O-CB 3.33Å; T271-S275 PolarHBondContact O-N 3.43Å; T271-T278 WeakPolarHBondContact CG2-OG1 3.3Å
272L98.3Very high97.1Very high1 Ų151.8 Ų51.81%0.00527%0.274CS..Hα-helixtrans-64.9-16.7177.2-71.2177.1000113.7A268 K269 R270 S274 S275 T278 I295 R297 F300A268-L272 WeakPolarHBondContact O-CB 3.48Å; A268-L272 VanDerWaalsContact O-CG 3.23Å; A268-L272 WeakPolarHBondContact O-CG 3.34Å; A268-L272 PolarHBondContact O-N 3.03Å; K269-L272 PolarHBondContact O-N 3.39Å; R270-L272 VanDerWaalsContact C-N 3.28Å; R270-L272 PolarHBondContact O-N 2.87Å; L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.18Å; L272-S275 CarbonylContact C-O 3.56Å; L272-S275 WeakPolarHBondContact CA-O 3.39Å; L272-S275 VanDerWaalsContact O-O 3.05Å; L272-T278 HydrophobicContact CD2-CG2 3.95Å; L272-T278 HydrophobicContact CG-CG2 3.87Å; L272-I295 HydrophobicContact CD1-CG1 4.35Å; L272-I295 HydrophobicContact CD1-CG2 4.02Å; L272-R297 HydrophobicContact CD2-CB 4.19Å; L272-R297 PolarHBondContact O-NE 3.39Å; L272-R297 PolarHBondContact O-NH2 3.22Å; L272-F300 HydrophobicContact CD1-CB 3.53Å; L272-F300 HydrophobicContact CD1-CD1 4.37Å; L272-F300 HydrophobicContact CD1-CG 3.91Å
273S96.2Very high97.1Very high29 Ų2955.2 Ų55.220%0.20329%0.294CS..Hα-helixtrans-71.7-24174.9-580000112.4K269 R270 T271 P342K269-S273 PolarHBondContact O-N 3.28Å; K269-S273 PolarHBondContact O-OG 3.19Å; R270-S273 VanDerWaalsContact O-CB 3.24Å; R270-S273 WeakPolarHBondContact O-CB 3.41Å; R270-S273 PolarHBondContact O-N 3.29Å; T271-S273 PolarHBondContact O-N 2.94Å; T271-S273 VanDerWaalsContact O-N 3.15Å; S273-P342 VanDerWaalsContact O-CG 3.27Å; S273-P342 WeakPolarHBondContact O-CG 3.4Å
274S96.2Very high97Very high98 Ų9855.7 Ų55.769%0.68530%0.299SS*.Hα-helixtrans-113.3-29.1175.555.70000113.3T271 L272 R297T271-S274 PolarHBondContact O-N 3.3Å; T271-S274 VanDerWaalsContact O-N 3.1Å; T271-S274 PolarHBondContact O-OG 3.01Å; L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.18Å; S274-R297 PolarHBondContact O-NH2 2.81Å; S274-R297 VanDerWaalsContact O-NH2 3.13Å
275S97.7Very high97Very high46 Ų4655 Ų5532%0.32229%0.292SS..SBendtrans-108.3150.3-177.6-51.90000113.3T271 L272 Q277 R297T271-S275 WeakPolarHBondContact O-CB 3.33Å; T271-S275 PolarHBondContact O-N 3.43Å; L272-S275 CarbonylContact C-O 3.56Å; L272-S275 WeakPolarHBondContact CA-O 3.39Å; L272-S275 VanDerWaalsContact O-O 3.05Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-Q277 PolarHBondContact O-N 3.02Å; S275-R297 VanDerWaalsContact N-NH2 3.19Å; S275-R297 PolarHBondContact O-NE 2.86Å; S275-R297 PolarHBondContact O-NH2 2.99Å
276A97.7Very high96.7Very high72 Ų7255.4 Ų55.460%0.59530%0.295SS*.SBendtrans-75.3-19.2-179.900000113.4R297A276-R297 WeakPolarHBondContact O-CB 3.47Å; A276-R297 PolarHBondContact O-N 3.43Å
277Q98Very high96.4Very high120 Ų12060.7 Ų60.756%0.56132%0.324SS*.EExtended strand (participates in β ladder)trans-155162.5177.467.5-177.719.400110.3S275 I295 T296S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-Q277 PolarHBondContact O-N 3.02Å; Q277-I295 CarbonylContact C-O 3.6Å; Q277-I295 VanDerWaalsContact CA-O 3.29Å; Q277-I295 WeakPolarHBondContact CA-O 3.43Å; Q277-T296 HydrophobicContact CB-CG2 4.28Å
278T98.2Very high96.2Very high25 Ų2554.4 Ų54.415%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-156.1161.6173.7-1670000110.5A268 T271 L272 I295A268-T278 HydrophobicContact CB-CG2 3.61Å; T271-T278 WeakPolarHBondContact CG2-OG1 3.3Å; L272-T278 HydrophobicContact CD2-CG2 3.95Å; L272-T278 HydrophobicContact CG-CG2 3.87Å; T278-I295 HydrophobicContact CG2-CG2 3.89Å; T278-I295 PolarHBondContact N-O 2.67Å; T278-I295 PolarHBondContact O-N 2.86Å
279N97.5Very high96.1Very high81 Ų8155.5 Ų55.543%0.43333%0.325SS..EExtended strand (participates in β ladder)trans-98144.9178.2-58.8-10.8000110.2E281 T293 V294N279-E281 HydrophobicContact CB-CG 3.87Å; N279-E281 WeakPolarHBondContact CB-OE1 3.33Å; N279-E281 PolarHBondContact ND2-OE1 3.35Å; N279-T293 CarbonylContact C-O 3.39Å; N279-T293 WeakPolarHBondContact CA-O 3.48Å; N279-V294 WeakPolarHBondContact OD1-CG2 3.48Å
280L97.3Very high96.1Very high2 Ų257.4 Ų57.41%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-106.3117.8161.4-70.286.8000107.4F239 L261 A264 A268 Y292 T293 I295F239-L280 HydrophobicContact CD2-CD2 3.79Å; F239-L280 HydrophobicContact CE1-CD1 4.39Å; F239-L280 HydrophobicContact CE2-CD1 3.85Å; F239-L280 HydrophobicContact CE2-CD2 3.52Å; F239-L280 HydrophobicContact CE2-CG 4.37Å; F239-L280 HydrophobicContact CG-CD2 4.49Å; F239-L280 HydrophobicContact CZ-CD1 3.59Å; F239-L280 HydrophobicContact CZ-CD2 4.02Å; F239-L280 HydrophobicContact CZ-CG 4.45Å; L261-L280 HydrophobicContact CD1-CD2 4.43Å; A264-L280 HydrophobicContact CB-CD2 4.15Å; A268-L280 HydrophobicContact CB-CD1 3.87Å; A268-L280 HydrophobicContact CB-CD2 4.47Å; A268-L280 HydrophobicContact CB-CG 4.03Å; L280-Y292 WeakPolarHBondContact O-CA 3.12Å; L280-T293 HydrophobicContact CB-CG2 3.95Å; L280-T293 HydrophobicContact CD1-CG2 4.32Å; L280-T293 PolarHBondContact N-O 3.24Å; L280-T293 PolarHBondContact O-N 2.86Å; L280-I295 HydrophobicContact CD1-CB 4.26Å; L280-I295 HydrophobicContact CD1-CG2 3.45Å; L280-I295 VanDerWaalsContact CD1-CG2 3.45Å
281E95.4Very high96.1Very high121 Ų12151.5 Ų51.557%0.56531%0.314SS*.EExtended strand (participates in β ladder)trans-126.1110.4-176-54.4-174.4-176.700107.8N279 Y292N279-E281 HydrophobicContact CB-CG 3.87Å; N279-E281 WeakPolarHBondContact CB-OE1 3.33Å; N279-E281 PolarHBondContact ND2-OE1 3.35Å; E281-Y292 HydrophobicContact CB-CD1 3.73Å; E281-Y292 HydrophobicContact CB-CE1 3.91Å; E281-Y292 HydrophobicContact CG-CD1 3.87Å; E281-Y292 HydrophobicContact CG-CE1 4.41Å
282I96.8Very high96.1Very high8 Ų854.5 Ų54.54%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-134.3101.1-176.6-43.7174.6000109.7R260 L261 A264 L285 F291R260-I282 HydrophobicContact CB-CG2 4.27Å; L261-I282 HydrophobicContact CB-CD1 4.26Å; L261-I282 HydrophobicContact CD1-CD1 3.8Å; A264-I282 HydrophobicContact CB-CD1 3.61Å; A264-I282 HydrophobicContact CB-CG1 3.89Å; I282-L285 HydrophobicContact CB-CB 4.39Å; I282-L285 HydrophobicContact CD1-CD1 4.23Å; I282-L285 HydrophobicContact CG2-CB 4.12Å; I282-L285 HydrophobicContact CG2-CD1 3.89Å; I282-F291 HydrophobicContact CD1-CD1 4.4Å; I282-F291 PolarHBondContact N-O 3.43Å; I282-F291 PolarHBondContact O-N 2.95Å
283D95.7Very high96Very high91 Ų9155.2 Ų55.249%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-66.2137.3178.6-53.5-30.6000111.1R260 L285 D290 Y292R260-D283 PolarHBondContact NH1-O 3.1Å; R260-D283 PolarHBondContact NH2-O 3.29Å; D283-L285 PolarHBondContact O-N 3.08Å; D283-L285 VanDerWaalsContact O-N 3.16Å; D283-D290 WeakPolarHBondContact CA-OD1 3.23Å; D283-Y292 PolarHBondContact OD1-OH 3.31Å
284S94.4Very high96.1Very high63 Ų6357.7 Ų57.744%0.44134%0.339SS..EExtended strand (participates in β ladder)trans46.349.2176.6-670000112.3R260 C286 T289 D290R260-S284 PolarHBondContact NH1-O 3.04Å; S284-C286 VanDerWaalsContact C-N 3.27Å; S284-C286 PolarHBondContact O-N 3.23Å; S284-T289 CarbonylContact C-O 3.42Å; S284-D290 PolarHBondContact N-OD1 3.37Å
285L95.3Very high96.2Very high4 Ų453.2 Ų53.22%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-56.4-44.7-178.2175.761.6000110.9F243 I251 A257 R260 L261 I282 D283 T289 F291F243-L285 HydrophobicContact CD2-CD2 3.79Å; F243-L285 HydrophobicContact CE2-CB 4.38Å; F243-L285 HydrophobicContact CE2-CD2 3.9Å; F243-L285 HydrophobicContact CE2-CG 4.43Å; F243-L285 HydrophobicContact CG-CD2 4.35Å; I251-L285 HydrophobicContact CD1-CD2 4.08Å; I251-L285 HydrophobicContact CD1-CG 4.45Å; A257-L285 HydrophobicContact CB-CD1 4.03Å; A257-L285 HydrophobicContact CB-CG 4.45Å; A257-L285 WeakPolarHBondContact CB-O 3.4Å; A257-L285 WeakPolarHBondContact O-CD1 3.24Å; R260-L285 HydrophobicContact CB-CD1 4.4Å; L261-L285 HydrophobicContact CB-CD1 4.36Å; I282-L285 HydrophobicContact CB-CB 4.39Å; I282-L285 HydrophobicContact CD1-CD1 4.23Å; I282-L285 HydrophobicContact CG2-CB 4.12Å; I282-L285 HydrophobicContact CG2-CD1 3.89Å; D283-L285 PolarHBondContact O-N 3.08Å; D283-L285 VanDerWaalsContact O-N 3.16Å; L285-T289 PolarHBondContact N-O 3.5Å; L285-F291 HydrophobicContact CB-CB 4.04Å; L285-F291 HydrophobicContact CD2-CB 3.59Å; L285-F291 HydrophobicContact CD2-CD1 3.87Å; L285-F291 HydrophobicContact CD2-CG 3.91Å; L285-F291 HydrophobicContact CG-CB 4.47Å
286C93.2Very high96.2Very high9 Ų953.7 Ų53.76%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-147.8131175.4-166.50000110.7F243 I251 S284 G288 T289F243-C286 HydrophobicContact CE1-CB 4.05Å; F243-C286 HydrophobicContact CZ-CB 3.9Å; I251-C286 HydrophobicContact CG2-CB 3.58Å; S284-C286 VanDerWaalsContact C-N 3.27Å; S284-C286 PolarHBondContact O-N 3.23Å; C286-G288 VanDerWaalsContact C-N 3.34Å; C286-G288 PolarHBondContact O-N 3.39Å; C286-T289 WeakPolarHBondContact O-CB 3.26Å; C286-T289 PolarHBondContact O-N 2.9Å; C286-T289 PolarHBondContact O-OG1 2.95Å
287D89.9Confident96.3Very high123 Ų12353.1 Ų53.166%0.65829%0.291SS*.THydrogen-bonded Turntrans47.449.8175.6-53.8-29.6000113.9T289D287-T289 PolarHBondContact O-N 2.86Å; D287-T289 VanDerWaalsContact O-N 3.1Å; D287-T289 PolarHBondContact O-OG1 3.4Å
288G92.6Very high96.3Very high59 Ų5950.7 Ų50.761%0.60829%0.292SS*.THydrogen-bonded Turntrans67.37.6-179.400000115.1C286C286-G288 VanDerWaalsContact C-N 3.34Å; C286-G288 PolarHBondContact O-N 3.39Å
289T95.6Very high96.3Very high26 Ų2653.5 Ų53.516%0.1630%0.3CS..EExtended strand (participates in β ladder)trans-91115.6178.6-510000109.7F243 Y247 K249 S284 L285 C286 D287F243-T289 HydrophobicContact CE2-CG2 4.17Å; F243-T289 HydrophobicContact CZ-CG2 4.18Å; Y247-T289 HydrophobicContact CD1-CG2 3.31Å; Y247-T289 HydrophobicContact CD2-CG2 4.28Å; Y247-T289 HydrophobicContact CE1-CG2 3.6Å; Y247-T289 HydrophobicContact CG-CG2 3.67Å; K249-T289 PolarHBondContact NZ-OG1 3.38Å; S284-T289 CarbonylContact C-O 3.42Å; L285-T289 PolarHBondContact N-O 3.5Å; C286-T289 WeakPolarHBondContact O-CB 3.26Å; C286-T289 PolarHBondContact O-N 2.9Å; C286-T289 PolarHBondContact O-OG1 2.95Å; D287-T289 PolarHBondContact O-N 2.86Å; D287-T289 VanDerWaalsContact O-N 3.1Å; D287-T289 PolarHBondContact O-OG1 3.4Å
290D96.7Very high96.3Very high59 Ų5949.8 Ų49.832%0.31628%0.28SS..EExtended strand (participates in β ladder)trans-71.4148173.3-50.9-34.9000110.8Y247 D283 S284 Y292Y247-D290 PolarHBondContact OH-O 2.68Å; D283-D290 WeakPolarHBondContact CA-OD1 3.23Å; S284-D290 PolarHBondContact N-OD1 3.37Å; D290-Y292 HydrophobicContact CB-CD2 3.96Å; D290-Y292 HydrophobicContact CB-CE2 3.29Å
291F97.7Very high96.4Very high0 Ų051.8 Ų51.80%029%0.289CS..EExtended strand (participates in β ladder)trans-121.5106.3175-173.4-127.5000110.6F239 F243 K246 Y247 L261 I282 L285 T293F239-F291 HydrophobicContact CB-CE1 3.99Å; F239-F291 HydrophobicContact CB-CZ 4.22Å; F239-F291 HydrophobicContact CD1-CE1 4.15Å; F239-F291 HydrophobicContact CD1-CZ 4.02Å; F239-F291 HydrophobicContact CG-CE1 4.25Å; F239-F291 HydrophobicContact CG-CZ 4.46Å; F243-F291 HydrophobicContact CB-CE2 4.23Å; F243-F291 HydrophobicContact CB-CZ 4.47Å; F243-F291 HydrophobicContact CD2-CB 4.03Å; F243-F291 AromaticContact CD2-CD2 3.59Å; F243-F291 HydrophobicContact CD2-CD2 3.59Å; F243-F291 HydrophobicContact CD2-CE2 4.13Å; F243-F291 AromaticContact CD2-CG 3.84Å; F243-F291 HydrophobicContact CD2-CG 3.84Å; F243-F291 HydrophobicContact CE2-CB 4.13Å; F243-F291 HydrophobicContact CE2-CD2 4.36Å; F243-F291 HydrophobicContact CE2-CG 4.44Å; K246-F291 HydrophobicContact CD-CE2 4.43Å; Y247-F291 AromaticContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CD2 3.79Å; Y247-F291 HydrophobicContact CE2-CE2 4.28Å; L261-F291 HydrophobicContact CD1-CD1 4.31Å; L261-F291 HydrophobicContact CD1-CE1 4.13Å; I282-F291 HydrophobicContact CD1-CD1 4.4Å; I282-F291 PolarHBondContact N-O 3.43Å; I282-F291 PolarHBondContact O-N 2.95Å; L285-F291 HydrophobicContact CB-CB 4.04Å; L285-F291 HydrophobicContact CD2-CB 3.59Å; L285-F291 HydrophobicContact CD2-CD1 3.87Å; L285-F291 HydrophobicContact CD2-CG 3.91Å; L285-F291 HydrophobicContact CG-CB 4.47Å; F291-T293 HydrophobicContact CE1-CG2 3.74Å; F291-T293 HydrophobicContact CE2-CG2 4.36Å; F291-T293 HydrophobicContact CZ-CG2 3.67Å
292Y96.9Very high96.5Very high107 Ų10751.9 Ų51.942%0.4229%0.289SS..EExtended strand (participates in β ladder)trans-114.7124173.4-55.2-75.1000109.2L280 E281 D283 D290L280-Y292 WeakPolarHBondContact O-CA 3.12Å; E281-Y292 HydrophobicContact CB-CD1 3.73Å; E281-Y292 HydrophobicContact CB-CE1 3.91Å; E281-Y292 HydrophobicContact CG-CD1 3.87Å; E281-Y292 HydrophobicContact CG-CE1 4.41Å; D283-Y292 PolarHBondContact OD1-OH 3.31Å; D290-Y292 HydrophobicContact CB-CD2 3.96Å; D290-Y292 HydrophobicContact CB-CE2 3.29Å
293T97.5Very high96.6Very high16 Ų1653 Ų5310%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-150.3164.4175-164.40000111F239 E242 N279 L280 F291F239-T293 HydrophobicContact CD1-CG2 3.76Å; F239-T293 HydrophobicContact CE1-CG2 3.46Å; F239-T293 VanDerWaalsContact CE1-CG2 3.46Å; F239-T293 HydrophobicContact CZ-CG2 4.21Å; E242-T293 WeakPolarHBondContact OE1-CB 3.4Å; E242-T293 PolarHBondContact OE1-OG1 3.25Å; N279-T293 CarbonylContact C-O 3.39Å; N279-T293 WeakPolarHBondContact CA-O 3.48Å; L280-T293 HydrophobicContact CB-CG2 3.95Å; L280-T293 HydrophobicContact CD1-CG2 4.32Å; L280-T293 PolarHBondContact N-O 3.24Å; L280-T293 PolarHBondContact O-N 2.86Å; F291-T293 HydrophobicContact CE1-CG2 3.74Å; F291-T293 HydrophobicContact CE2-CG2 4.36Å; F291-T293 HydrophobicContact CZ-CG2 3.67Å
294V97.8Very high96.7Very high81 Ų8148.7 Ų48.749%0.49127%0.272SS..EExtended strand (participates in β ladder)trans-120.3139.4179.9-178.30000108N279N279-V294 WeakPolarHBondContact OD1-CG2 3.48Å
295I98.4Very high96.9Very high5 Ų546.7 Ų46.73%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-126.6135171.4-173.1159.2000110.6M235 F239 A268 L272 Q277 T278 L280 R299 F300 L303M235-I295 HydrophobicContact CE-CD1 4.25Å; F239-I295 HydrophobicContact CE2-CD1 4.08Å; F239-I295 HydrophobicContact CZ-CB 3.91Å; F239-I295 HydrophobicContact CZ-CD1 3.66Å; F239-I295 HydrophobicContact CZ-CG1 4.34Å; F239-I295 HydrophobicContact CZ-CG2 4.24Å; A268-I295 HydrophobicContact CB-CG2 4.41Å; L272-I295 HydrophobicContact CD1-CG1 4.35Å; L272-I295 HydrophobicContact CD1-CG2 4.02Å; Q277-I295 CarbonylContact C-O 3.6Å; Q277-I295 VanDerWaalsContact CA-O 3.29Å; Q277-I295 WeakPolarHBondContact CA-O 3.43Å; T278-I295 HydrophobicContact CG2-CG2 3.89Å; T278-I295 PolarHBondContact N-O 2.67Å; T278-I295 PolarHBondContact O-N 2.86Å; L280-I295 HydrophobicContact CD1-CB 4.26Å; L280-I295 HydrophobicContact CD1-CG2 3.45Å; L280-I295 VanDerWaalsContact CD1-CG2 3.45Å; I295-R299 HydrophobicContact CD1-CG 4.43Å; I295-R299 HydrophobicContact CG1-CB 4.22Å; I295-R299 HydrophobicContact CG1-CG 4.32Å; I295-F300 HydrophobicContact CD1-CB 4.3Å; I295-L303 HydrophobicContact CD1-CD1 4.27Å
296T98.4Very high97Very high56 Ų5650.4 Ų50.434%0.34428%0.279SS..EExtended strand (participates in β ladder)trans-91.6154.117365.60000110Q277 A298 R299 F300Q277-T296 HydrophobicContact CB-CG2 4.28Å; T296-A298 PolarHBondContact O-N 3.01Å; T296-R299 PolarHBondContact O-N 3.04Å; T296-R299 VanDerWaalsContact O-N 3.11Å; T296-R299 WeakPolarHBondContact OG1-CB 3.4Å; T296-R299 PolarHBondContact OG1-N 3.48Å; T296-F300 PolarHBondContact O-N 3.01Å
297R98.3Very high97.2Very high59 Ų5951.6 Ų51.622%0.22329%0.285CS..Hα-helixtrans-56.4-42.4172.8-174.3-172.2-61.8170-2.5110.7L272 S274 S275 A276 R299 F300 E301L272-R297 HydrophobicContact CD2-CB 4.19Å; L272-R297 PolarHBondContact O-NE 3.39Å; L272-R297 PolarHBondContact O-NH2 3.22Å; S274-R297 PolarHBondContact O-NH2 2.81Å; S274-R297 VanDerWaalsContact O-NH2 3.13Å; S275-R297 VanDerWaalsContact N-NH2 3.19Å; S275-R297 PolarHBondContact O-NE 2.86Å; S275-R297 PolarHBondContact O-NH2 2.99Å; A276-R297 WeakPolarHBondContact O-CB 3.47Å; A276-R297 PolarHBondContact O-N 3.43Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 3.48Å; R297-F300 WeakPolarHBondContact O-CB 3.3Å; R297-F300 PolarHBondContact O-N 3.11Å; R297-E301 WeakPolarHBondContact CD-OE1 3.46Å; R297-E301 HydrophobicContact CG-CG 4.28Å; R297-E301 WeakPolarHBondContact CG-OE1 3.35Å; R297-E301 WeakPolarHBondContact O-CB 3.31Å; R297-E301 VanDerWaalsContact O-CG 3.29Å; R297-E301 WeakPolarHBondContact O-CG 3.49Å; R297-E301 PolarHBondContact O-N 3.09Å
298A98.2Very high97.5Very high70 Ų7045.7 Ų45.758%0.57925%0.254SS*.Hα-helixtrans-57.5-41.8177.100000112.4T296 E301 E302T296-A298 PolarHBondContact O-N 3.01Å; A298-E301 PolarHBondContact O-N 3.5Å; A298-E302 WeakPolarHBondContact O-CB 3.36Å; A298-E302 PolarHBondContact O-N 3.01Å
299R98.3Very high97.7Very high84 Ų8450.3 Ų50.332%0.31725%0.253SS..Hα-helixtrans-68.5-43.1176.8-178.557.8179.6171.25112H238 I295 T296 R297 E301 E302 L303H238-R299 PolarHBondContact CE1-NH2 2.95Å; I295-R299 HydrophobicContact CD1-CG 4.43Å; I295-R299 HydrophobicContact CG1-CB 4.22Å; I295-R299 HydrophobicContact CG1-CG 4.32Å; T296-R299 PolarHBondContact O-N 3.04Å; T296-R299 VanDerWaalsContact O-N 3.11Å; T296-R299 WeakPolarHBondContact OG1-CB 3.4Å; T296-R299 PolarHBondContact OG1-N 3.48Å; R297-R299 VanDerWaalsContact C-N 3.3Å; R297-R299 PolarHBondContact O-N 3.48Å; R299-E301 VanDerWaalsContact C-N 3.31Å; R299-E301 PolarHBondContact O-N 3.13Å; R299-E302 WeakPolarHBondContact CD-OE2 3.25Å; R299-E302 IonicContact CZ-OE2 2.66Å; R299-E302 IonicContact NH1-OE1 3.38Å; R299-E302 PolarHBondContact NH1-OE1 3.47Å; R299-E302 IonicContact NH1-OE2 2.62Å; R299-E302 PolarHBondContact NH1-OE2 3.2Å; R299-E302 WeakPolarHBondContact O-CB 3.42Å; R299-E302 PolarHBondContact O-N 3.22Å; R299-L303 HydrophobicContact CG-CD1 4.46Å; R299-L303 VanDerWaalsContact O-CG 3.3Å; R299-L303 WeakPolarHBondContact O-CG 3.38Å; R299-L303 PolarHBondContact O-N 3.49Å
300F98.5Very high97.7Very high3 Ų350.3 Ų50.31%0.01326%0.258CS..Hα-helixtrans-58.7-43.1173.6165.6-106.7000112.2F231 M235 K269 L272 I295 T296 R297 E302 L303 N304 F308 I341F231-F300 HydrophobicContact CB-CE2 4.18Å; F231-F300 HydrophobicContact CB-CZ 4.3Å; M235-F300 HydrophobicContact CG-CD2 3.92Å; M235-F300 HydrophobicContact CG-CE2 4.24Å; M235-F300 HydrophobicContact SD-CD2 3.5Å; M235-F300 VanDerWaalsContact SD-CD2 3.5Å; M235-F300 HydrophobicContact SD-CE2 3.66Å; K269-F300 HydrophobicContact CB-CE2 4.47Å; K269-F300 HydrophobicContact CD-CE2 4.38Å; K269-F300 HydrophobicContact CD-CZ 4.25Å; K269-F300 HydrophobicContact CG-CE2 3.92Å; K269-F300 HydrophobicContact CG-CZ 3.74Å; L272-F300 HydrophobicContact CD1-CB 3.53Å; L272-F300 HydrophobicContact CD1-CD1 4.37Å; L272-F300 HydrophobicContact CD1-CG 3.91Å; I295-F300 HydrophobicContact CD1-CB 4.3Å; T296-F300 PolarHBondContact O-N 3.01Å; R297-F300 WeakPolarHBondContact O-CB 3.3Å; R297-F300 PolarHBondContact O-N 3.11Å; F300-E302 VanDerWaalsContact C-N 3.34Å; F300-L303 PolarHBondContact O-N 3.29Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.43Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.39Å; F300-N304 PolarHBondContact O-N 3.42Å; F300-N304 PolarHBondContact O-ND2 3.15Å; F300-F308 HydrophobicContact CE1-CE2 4.26Å; F300-F308 AromaticContact CE1-CZ 3.73Å; F300-F308 HydrophobicContact CE1-CZ 3.73Å; F300-F308 AromaticContact CZ-CZ 3.81Å; F300-F308 HydrophobicContact CZ-CZ 3.81Å; F300-I341 HydrophobicContact CE1-CD1 4.35Å; F300-I341 HydrophobicContact CE1-CG2 4.07Å; F300-I341 HydrophobicContact CZ-CD1 4.12Å
301E98.3Very high97.8Very high44 Ų4447.6 Ų47.621%0.20624%0.243CC..Hα-helixtrans-64.5-37.8176.9-71.5178.2-168.900112.5R297 A298 R299 N304 A305 F308 K343R297-E301 WeakPolarHBondContact CD-OE1 3.46Å; R297-E301 HydrophobicContact CG-CG 4.28Å; R297-E301 WeakPolarHBondContact CG-OE1 3.35Å; R297-E301 WeakPolarHBondContact O-CB 3.31Å; R297-E301 VanDerWaalsContact O-CG 3.29Å; R297-E301 WeakPolarHBondContact O-CG 3.49Å; R297-E301 PolarHBondContact O-N 3.09Å; A298-E301 PolarHBondContact O-N 3.5Å; R299-E301 VanDerWaalsContact C-N 3.31Å; R299-E301 PolarHBondContact O-N 3.13Å; E301-N304 CarbonylContact O-C 3.56Å; E301-N304 PolarHBondContact O-N 3.31Å; E301-A305 VanDerWaalsContact O-CA 3.32Å; E301-A305 WeakPolarHBondContact O-CA 3.45Å; E301-A305 WeakPolarHBondContact O-CB 3.24Å; E301-A305 PolarHBondContact O-N 3.09Å; E301-F308 HydrophobicContact CB-CE2 4.46Å; E301-F308 HydrophobicContact CG-CE2 4.31Å; E301-K343 HydrophobicContact CB-CG 4.42Å; E301-K343 HydrophobicContact CG-CB 3.72Å; E301-K343 HydrophobicContact CG-CG 4Å
302E98.2Very high97.8Very high122 Ų12249 Ų4957%0.5725%0.25SS*.Hα-helixtrans-64.2-44.3174.7-170.4-167.8172.300111.9A298 R299 F300 N304 A305A298-E302 WeakPolarHBondContact O-CB 3.36Å; A298-E302 PolarHBondContact O-N 3.01Å; R299-E302 WeakPolarHBondContact CD-OE2 3.25Å; R299-E302 IonicContact CZ-OE2 2.66Å; R299-E302 IonicContact NH1-OE1 3.38Å; R299-E302 PolarHBondContact NH1-OE1 3.47Å; R299-E302 IonicContact NH1-OE2 2.62Å; R299-E302 PolarHBondContact NH1-OE2 3.2Å; R299-E302 WeakPolarHBondContact O-CB 3.42Å; R299-E302 PolarHBondContact O-N 3.22Å; F300-E302 VanDerWaalsContact C-N 3.34Å; E302-N304 PolarHBondContact O-N 3.16Å; E302-A305 WeakPolarHBondContact O-CB 3.37Å; E302-A305 PolarHBondContact O-N 2.87Å
303L98.2Very high97.7Very high32 Ų3248.9 Ų48.917%0.16826%0.257CS..Hα-helixtrans-62.3-26.3179.7-70.1171.3000113.6R234 H238 I295 R299 F300R234-L303 PolarHBondContact NH1-O 2.98Å; H238-L303 HydrophobicContact CB-CD1 3.96Å; H238-L303 HydrophobicContact CB-CD2 4.08Å; I295-L303 HydrophobicContact CD1-CD1 4.27Å; R299-L303 HydrophobicContact CG-CD1 4.46Å; R299-L303 VanDerWaalsContact O-CG 3.3Å; R299-L303 WeakPolarHBondContact O-CG 3.38Å; R299-L303 PolarHBondContact O-N 3.49Å; F300-L303 PolarHBondContact O-N 3.29Å
304N98.4Very high97.5Very high0 Ų048.8 Ų48.80%026%0.257CS..THydrogen-bonded Turntrans-114.812.1-176.3-66.8-71.1000112.8F231 R234 F300 E301 E302 D306 L307 F308F231-N304 WeakPolarHBondContact CA-OD1 3.16Å; F231-N304 HydrophobicContact CD1-CB 4.31Å; R234-N304 WeakPolarHBondContact CB-OD1 3.43Å; R234-N304 VanDerWaalsContact CG-OD1 3.26Å; R234-N304 WeakPolarHBondContact CG-OD1 3.05Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.43Å; F300-N304 WeakPolarHBondContact CE2-ND2 3.39Å; F300-N304 PolarHBondContact O-N 3.42Å; F300-N304 PolarHBondContact O-ND2 3.15Å; E301-N304 CarbonylContact O-C 3.56Å; E301-N304 PolarHBondContact O-N 3.31Å; E302-N304 PolarHBondContact O-N 3.16Å; N304-D306 VanDerWaalsContact C-N 3.25Å; N304-D306 PolarHBondContact O-N 3.21Å; N304-L307 PolarHBondContact O-N 3.17Å; N304-L307 VanDerWaalsContact O-N 3.13Å; N304-F308 HydrophobicContact CB-CD1 4.29Å; N304-F308 HydrophobicContact CB-CD2 4.1Å; N304-F308 HydrophobicContact CB-CE1 3.88Å; N304-F308 HydrophobicContact CB-CE2 3.71Å; N304-F308 HydrophobicContact CB-CG 4.38Å; N304-F308 HydrophobicContact CB-CZ 3.57Å; N304-F308 WeakPolarHBondContact O-CG 3.37Å; N304-F308 PolarHBondContact O-N 2.98Å
305A97.9Very high97.5Very high22 Ų2245 Ų4518%0.18223%0.234CC..Hα-helixtrans-63-31.1-169.500000113.2E301 E302 R309E301-A305 VanDerWaalsContact O-CA 3.32Å; E301-A305 WeakPolarHBondContact O-CA 3.45Å; E301-A305 WeakPolarHBondContact O-CB 3.24Å; E301-A305 PolarHBondContact O-N 3.09Å; E302-A305 WeakPolarHBondContact O-CB 3.37Å; E302-A305 PolarHBondContact O-N 2.87Å; A305-R309 VanDerWaalsContact C-NH1 3.34Å; A305-R309 VanDerWaalsContact O-CG 3.27Å; A305-R309 WeakPolarHBondContact O-CG 3.49Å; A305-R309 PolarHBondContact O-N 2.76Å; A305-R309 PolarHBondContact O-NH1 3.18Å
306D97.3Very high97.5Very high81 Ų8148.8 Ų48.843%0.43325%0.252SS..Hα-helixtrans-71.7-47.3174.260.2-50.2000111.4R234 N304 F308 R309 G310R234-D306 IonicContact CZ-OD1 2.67Å; R234-D306 IonicContact CZ-OD2 2.98Å; R234-D306 IonicContact NH1-OD1 3.04Å; R234-D306 PolarHBondContact NH1-OD1 2.77Å; R234-D306 IonicContact NH1-OD2 2.76Å; R234-D306 PolarHBondContact NH1-OD2 3.23Å; R234-D306 IonicContact NH2-OD1 3.01Å; R234-D306 IonicContact NH2-OD2 3.61Å; R234-D306 PolarHBondContact NH2-OD2 3.1Å; N304-D306 VanDerWaalsContact C-N 3.25Å; N304-D306 PolarHBondContact O-N 3.21Å; D306-F308 PolarHBondContact O-N 3.02Å; D306-R309 PolarHBondContact O-N 3.44Å; D306-G310 PolarHBondContact O-N 2.79Å
307L97.2Very high97.3Very high34 Ų3449.3 Ų49.318%0.17825%0.249CC..Hα-helixtrans-61.9-42.1178.5-60.6-178.9000111.9L226 D230 F231 R234 N304 R309 G310 T311L226-L307 HydrophobicContact CD1-CB 3.93Å; L226-L307 HydrophobicContact CD1-CD2 4.13Å; L226-L307 HydrophobicContact CD1-CG 4.45Å; D230-L307 HydrophobicContact CB-CD1 4.24Å; F231-L307 HydrophobicContact CD1-CB 4.35Å; F231-L307 HydrophobicContact CD1-CD1 3.87Å; F231-L307 HydrophobicContact CE1-CB 3.83Å; F231-L307 HydrophobicContact CE1-CD1 4.07Å; R234-L307 HydrophobicContact CG-CD1 4.09Å; N304-L307 PolarHBondContact O-N 3.17Å; N304-L307 VanDerWaalsContact O-N 3.13Å; L307-R309 VanDerWaalsContact C-N 3.34Å; L307-R309 PolarHBondContact O-N 3.5Å; L307-G310 PolarHBondContact O-N 3.15Å; L307-T311 PolarHBondContact O-N 2.99Å
308F98.1Very high97.1Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-66.7-32.1176.4-64.2-22.1000113.5F231 F300 E301 N304 D306 T311 I341 K343 V344 L347F231-F308 HydrophobicContact CD1-CD1 4.47Å; F231-F308 AromaticContact CD1-CE1 3.85Å; F231-F308 HydrophobicContact CD1-CE1 3.85Å; F231-F308 HydrophobicContact CD2-CE1 4.16Å; F231-F308 AromaticContact CE1-CD1 3.84Å; F231-F308 HydrophobicContact CE1-CD1 3.84Å; F231-F308 AromaticContact CE1-CE1 3.58Å; F231-F308 HydrophobicContact CE1-CE1 3.58Å; F231-F308 AromaticContact CE2-CE1 3.91Å; F231-F308 HydrophobicContact CE2-CE1 3.91Å; F231-F308 HydrophobicContact CG-CE1 4.16Å; F231-F308 AromaticContact CZ-CD1 3.92Å; F231-F308 HydrophobicContact CZ-CD1 3.92Å; F231-F308 AromaticContact CZ-CE1 3.62Å; F231-F308 HydrophobicContact CZ-CE1 3.62Å; F300-F308 HydrophobicContact CE1-CE2 4.26Å; F300-F308 AromaticContact CE1-CZ 3.73Å; F300-F308 HydrophobicContact CE1-CZ 3.73Å; F300-F308 AromaticContact CZ-CZ 3.81Å; F300-F308 HydrophobicContact CZ-CZ 3.81Å; E301-F308 HydrophobicContact CB-CE2 4.46Å; E301-F308 HydrophobicContact CG-CE2 4.31Å; N304-F308 HydrophobicContact CB-CD1 4.29Å; N304-F308 HydrophobicContact CB-CD2 4.1Å; N304-F308 HydrophobicContact CB-CE1 3.88Å; N304-F308 HydrophobicContact CB-CE2 3.71Å; N304-F308 HydrophobicContact CB-CG 4.38Å; N304-F308 HydrophobicContact CB-CZ 3.57Å; N304-F308 WeakPolarHBondContact O-CG 3.37Å; N304-F308 PolarHBondContact O-N 2.98Å; D306-F308 PolarHBondContact O-N 3.02Å; F308-T311 PolarHBondContact O-OG1 3.08Å; F308-I341 HydrophobicContact CE1-CD1 4.15Å; F308-I341 HydrophobicContact CE1-CG2 4.38Å; F308-I341 HydrophobicContact CE2-CG2 4.29Å; F308-I341 HydrophobicContact CZ-CD1 4.26Å; F308-I341 HydrophobicContact CZ-CG2 3.87Å; F308-K343 HydrophobicContact CD2-CB 4.02Å; F308-K343 HydrophobicContact CD2-CG 3.58Å; F308-K343 HydrophobicContact CE2-CB 4.04Å; F308-K343 HydrophobicContact CE2-CG 4.06Å; F308-K343 HydrophobicContact CG-CG 4.41Å; F308-V344 HydrophobicContact CD1-CG2 3.8Å; F308-V344 HydrophobicContact CE1-CG2 4.01Å; F308-V344 HydrophobicContact CG-CG2 4.35Å; F308-L347 HydrophobicContact CB-CD1 3.74Å; F308-L347 WeakPolarHBondContact O-CD1 3.38Å
309R96.7Very high97.1Very high156 Ų15643.7 Ų43.759%0.58921%0.214SC*.Hα-helixtrans-73.2-37.6173-74-179.8-165.1103.8-8.4111A305 D306 L307 T311 L312A305-R309 VanDerWaalsContact C-NH1 3.34Å; A305-R309 VanDerWaalsContact O-CG 3.27Å; A305-R309 WeakPolarHBondContact O-CG 3.49Å; A305-R309 PolarHBondContact O-N 2.76Å; A305-R309 PolarHBondContact O-NH1 3.18Å; D306-R309 PolarHBondContact O-N 3.44Å; L307-R309 VanDerWaalsContact C-N 3.34Å; L307-R309 PolarHBondContact O-N 3.5Å; R309-T311 PolarHBondContact O-N 3.12Å; R309-T311 VanDerWaalsContact O-N 3.14Å; R309-L312 WeakPolarHBondContact O-CB 3.43Å; R309-L312 PolarHBondContact O-N 3Å
310G95.6Very high97.1Very high26 Ų2648.1 Ų48.127%0.26823%0.23SC..Hα-helixtrans-57.6-24.2177.200000113.8D306 L307 L312 D313 P314D306-G310 PolarHBondContact O-N 2.79Å; L307-G310 PolarHBondContact O-N 3.15Å; G310-L312 PolarHBondContact O-N 3.34Å; G310-D313 PolarHBondContact O-N 3.21Å; G310-P314 WeakPolarHBondContact O-CD 3.42Å
311T97.1Very high96.8Very high1 Ų150.2 Ų50.21%0.00624%0.242CC..THydrogen-bonded Turntrans-66.7-18.217567.20000113.5F196 L198 F203 L226 L307 F308 R309 V315F196-T311 HydrophobicContact CZ-CG2 4.44Å; L198-T311 HydrophobicContact CD1-CG2 4.34Å; L198-T311 HydrophobicContact CD2-CG2 4.48Å; F203-T311 HydrophobicContact CD1-CG2 4.42Å; F203-T311 VanDerWaalsContact CE1-CA 3.49Å; F203-T311 HydrophobicContact CE1-CG2 4.25Å; F203-T311 WeakPolarHBondContact CE1-O 3.28Å; F203-T311 HydrophobicContact CZ-CG2 4.38Å; F203-T311 VanDerWaalsContact CZ-O 3.24Å; F203-T311 WeakPolarHBondContact CZ-O 3.42Å; L226-T311 HydrophobicContact CD2-CG2 3.78Å; L307-T311 PolarHBondContact O-N 2.99Å; F308-T311 PolarHBondContact O-OG1 3.08Å; R309-T311 PolarHBondContact O-N 3.12Å; R309-T311 VanDerWaalsContact O-N 3.14Å; T311-V315 WeakPolarHBondContact O-CG2 3.44Å
312L97.6Very high96.7Very high29 Ų2948.9 Ų48.915%0.15224%0.238CC..Hα-helixtrans-79.8-25.2178.7-62.6179.6000112.6R309 G310 V315 E316 F351R309-L312 WeakPolarHBondContact O-CB 3.43Å; R309-L312 PolarHBondContact O-N 3Å; G310-L312 PolarHBondContact O-N 3.34Å; L312-V315 WeakPolarHBondContact O-CB 3.18Å; L312-V315 PolarHBondContact O-N 3.02Å; L312-V315 VanDerWaalsContact O-N 3.13Å; L312-E316 PolarHBondContact O-N 3.07Å; L312-F351 HydrophobicContact CD1-CD2 4.32Å; L312-F351 HydrophobicContact CD2-CB 3.93Å; L312-F351 HydrophobicContact CD2-CD2 4.12Å; L312-F351 HydrophobicContact CD2-CG 4.07Å
313D95.8Very high96.7Very high106 Ų10651.9 Ų51.957%0.56725%0.249SC*.Hα-helixtrans-63.8-45.3-178.3-59.5-22.5000111.6G310 V315 E316 K317G310-D313 PolarHBondContact O-N 3.21Å; D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 PolarHBondContact O-N 2.87Å; D313-E316 PolarHBondContact O-N 3.37Å; D313-K317 WeakPolarHBondContact O-CB 3.46Å; D313-K317 PolarHBondContact O-N 3.24Å
314P94.1Very high96.7Very high14 Ų1451.7 Ų51.79%0.09125%0.248CC..Hα-helixtrans-62.6-34171.4-28.440.2000113.7F203 V205 A221 G310 K317 A318F203-P314 HydrophobicContact CD1-CB 4.35Å; F203-P314 HydrophobicContact CD1-CG 3.94Å; F203-P314 HydrophobicContact CE1-CB 3.73Å; F203-P314 HydrophobicContact CE1-CG 3.58Å; F203-P314 HydrophobicContact CZ-CB 4.49Å; V205-P314 HydrophobicContact CG2-CB 4.05Å; A221-P314 HydrophobicContact CB-CB 3.87Å; A221-P314 WeakPolarHBondContact CB-O 3.43Å; G310-P314 WeakPolarHBondContact O-CD 3.42Å; P314-K317 PolarHBondContact O-N 3.5Å; P314-A318 WeakPolarHBondContact O-CB 3.35Å; P314-A318 PolarHBondContact O-N 2.82Å
315V97.7Very high96.6Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-64.2-47.8176.4177.10000111.1L194 F196 V205 T311 L312 D313 K317 A318 L319 L348 F351 F352L194-V315 HydrophobicContact CD1-CG1 3.99Å; F196-V315 HydrophobicContact CD2-CG2 3.86Å; F196-V315 HydrophobicContact CE2-CG2 3.75Å; V205-V315 HydrophobicContact CG1-CG2 4.22Å; V205-V315 HydrophobicContact CG2-CG2 3.85Å; T311-V315 WeakPolarHBondContact O-CG2 3.44Å; L312-V315 WeakPolarHBondContact O-CB 3.18Å; L312-V315 PolarHBondContact O-N 3.02Å; L312-V315 VanDerWaalsContact O-N 3.13Å; D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 PolarHBondContact O-N 2.87Å; V315-K317 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 3.44Å; V315-A318 PolarHBondContact O-N 2.83Å; V315-L319 HydrophobicContact CG1-CD1 4.25Å; V315-L319 WeakPolarHBondContact O-CG 3.27Å; V315-L319 PolarHBondContact O-N 3Å; V315-L319 VanDerWaalsContact O-N 3.08Å; V315-L348 HydrophobicContact CG2-CD1 4.25Å; V315-F351 HydrophobicContact CB-CE1 4.5Å; V315-F351 HydrophobicContact CG1-CD1 4Å; V315-F351 HydrophobicContact CG1-CE1 3.47Å; V315-F351 VanDerWaalsContact CG1-CE1 3.47Å; V315-F351 HydrophobicContact CG1-CZ 3.98Å; V315-F352 HydrophobicContact CG1-CE2 3.8Å; V315-F352 HydrophobicContact CG1-CZ 4Å
316E97.6Very high96.5Very high86 Ų8657.7 Ų57.740%0.40227%0.274SS..Hα-helixtrans-61.1-42.1175.3-74.6-173.7-172.200112.3L312 D313 R320 F351L312-E316 PolarHBondContact O-N 3.07Å; D313-E316 PolarHBondContact O-N 3.37Å; E316-R320 WeakPolarHBondContact O-CB 3.04Å; E316-R320 PolarHBondContact O-N 3.32Å; E316-F351 HydrophobicContact CB-CZ 4.49Å; E316-F351 HydrophobicContact CG-CE2 3.4Å; E316-F351 VanDerWaalsContact CG-CE2 3.4Å; E316-F351 HydrophobicContact CG-CZ 3.44Å; E316-F351 VanDerWaalsContact CG-CZ 3.44Å; E316-F351 WeakPolarHBondContact OE1-CE2 3.38Å
317K93.8Very high96.4Very high67 Ų6758.2 Ų58.229%0.29128%0.284SS..Hα-helixtrans-61.1-51.2177.5-177.4177.7176.7-160.10110.5Y147 A221 D313 P314 V315 L319 R320 D321 R414Y147-K317 PolarHBondContact OH-NZ 3.3Å; A221-K317 HydrophobicContact CB-CB 4.17Å; A221-K317 HydrophobicContact CB-CD 4.16Å; A221-K317 HydrophobicContact CB-CG 4.2Å; D313-K317 WeakPolarHBondContact O-CB 3.46Å; D313-K317 PolarHBondContact O-N 3.24Å; P314-K317 PolarHBondContact O-N 3.5Å; V315-K317 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 3.44Å; K317-L319 PolarHBondContact O-N 2.62Å; K317-R320 PolarHBondContact O-N 2.76Å; K317-D321 VanDerWaalsContact CG-OD2 3.31Å; K317-D321 WeakPolarHBondContact CG-OD2 3.43Å; K317-D321 WeakPolarHBondContact O-CB 3.14Å; K317-D321 PolarHBondContact O-N 2.89Å; K317-R414 VanDerWaalsContact CE-CZ 3.48Å; K317-R414 VanDerWaalsContact CE-NH1 3.28Å; K317-R414 VanDerWaalsContact CE-NH2 3.28Å
318A95.1Very high96.4Very high0 Ų060.7 Ų60.70%030%0.295CS..Hα-helixtrans-56.5-47.1178.500000112V205 I207 S219 A221 P314 V315 R320 D321 A322V205-A318 HydrophobicContact CB-CB 4.5Å; V205-A318 HydrophobicContact CG1-CB 3.92Å; I207-A318 VanDerWaalsContact CD1-C 3.5Å; I207-A318 HydrophobicContact CD1-CB 4Å; I207-A318 HydrophobicContact CG1-CB 4.22Å; S219-A318 WeakPolarHBondContact CB-O 3.44Å; S219-A318 WeakPolarHBondContact OG-CA 3.5Å; S219-A318 PolarHBondContact OG-O 2.75Å; A221-A318 HydrophobicContact CB-CB 4.02Å; P314-A318 WeakPolarHBondContact O-CB 3.35Å; P314-A318 PolarHBondContact O-N 2.82Å; V315-A318 PolarHBondContact O-N 2.83Å; A318-R320 PolarHBondContact O-N 2.78Å; A318-D321 PolarHBondContact O-N 2.98Å; A318-A322 WeakPolarHBondContact O-CB 3.45Å; A318-A322 PolarHBondContact O-N 2.67Å
319L98.2Very high96.4Very high10 Ų1060.7 Ų60.75%0.05230%0.295CS..Hα-helixtrans-59.2-46.8177.3-77.1166.1000112.4I207 V315 K317 D321 A322 K323 M324 K326 I329 F351 F352I207-L319 HydrophobicContact CD1-CB 4.35Å; I207-L319 HydrophobicContact CD1-CD2 3.75Å; I207-L319 HydrophobicContact CD1-CG 3.95Å; V315-L319 HydrophobicContact CG1-CD1 4.25Å; V315-L319 WeakPolarHBondContact O-CG 3.27Å; V315-L319 PolarHBondContact O-N 3Å; V315-L319 VanDerWaalsContact O-N 3.08Å; K317-L319 PolarHBondContact O-N 2.62Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 3.25Å; L319-A322 PolarHBondContact O-N 2.58Å; L319-K323 PolarHBondContact O-N 2.94Å; L319-M324 PolarHBondContact O-N 3.37Å; L319-K326 HydrophobicContact CD1-CG 3.74Å; L319-I329 HydrophobicContact CD2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CG1 3.65Å; L319-F351 HydrophobicContact CD1-CE1 3.69Å; L319-F351 HydrophobicContact CD1-CZ 4.03Å; L319-F352 HydrophobicContact CD1-CE1 4.34Å; L319-F352 HydrophobicContact CD1-CZ 4.08Å
320R97Very high96.4Very high178 Ų17857.7 Ų57.767%0.67229%0.287SS*.Hα-helixtrans-61.4-41.9178.9-166.9-171.7-50.3170.96.1111.7E316 K317 A318 K323E316-R320 WeakPolarHBondContact O-CB 3.04Å; E316-R320 PolarHBondContact O-N 3.32Å; K317-R320 PolarHBondContact O-N 2.76Å; A318-R320 PolarHBondContact O-N 2.78Å; R320-K323 PolarHBondContact O-N 2.74Å
321D93.5Very high96.4Very high46 Ų4657.7 Ų57.725%0.24628%0.281CS..Hα-helixtrans-72.5-36.7-179.3-66.7-43.1000112.7K317 A318 L319 K323 R414 N415K317-D321 VanDerWaalsContact CG-OD2 3.31Å; K317-D321 WeakPolarHBondContact CG-OD2 3.43Å; K317-D321 WeakPolarHBondContact O-CB 3.14Å; K317-D321 PolarHBondContact O-N 2.89Å; A318-D321 PolarHBondContact O-N 2.98Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 3.25Å; D321-K323 PolarHBondContact O-N 2.89Å; D321-R414 IonicContact OD1-CZ 2.76Å; D321-R414 IonicContact OD1-NH1 3.7Å; D321-R414 PolarHBondContact OD1-NH1 3.41Å; D321-R414 IonicContact OD1-NH2 3.48Å; D321-R414 IonicContact OD2-CZ 3.41Å; D321-R414 IonicContact OD2-NH1 3.18Å; D321-R414 PolarHBondContact OD2-NH1 3.14Å; D321-R414 IonicContact OD2-NH2 3.36Å; D321-R414 PolarHBondContact OD2-NH2 3.45Å; D321-N415 WeakPolarHBondContact CB-ND2 3.37Å
322A96.6Very high96.4Very high16 Ų1657.6 Ų57.613%0.13228%0.281CS..Hα-helixtrans-70.3-11.2170.800000112.5I207 K218 A318 L319 M324I207-A322 HydrophobicContact CB-CB 4.27Å; I207-A322 HydrophobicContact CD1-CB 3.92Å; I207-A322 HydrophobicContact CG2-CB 4.16Å; K218-A322 HydrophobicContact CB-CB 4.01Å; A318-A322 WeakPolarHBondContact O-CB 3.45Å; A318-A322 PolarHBondContact O-N 2.67Å; L319-A322 PolarHBondContact O-N 2.58Å; A322-M324 HydrophobicContact CB-CB 4.33Å; A322-M324 HydrophobicContact CB-CG 4.08Å; A322-M324 HydrophobicContact CB-SD 4.25Å; A322-M324 PolarHBondContact O-N 2.72Å
323K97Very high96.4Very high186 Ų18656.2 Ų56.281%0.80927%0.274SS*.THydrogen-bonded Turntrans55.339.4-172.6-54.9174.3-176.9171.40112L319 R320 D321L319-K323 PolarHBondContact O-N 2.94Å; R320-K323 PolarHBondContact O-N 2.74Å; D321-K323 PolarHBondContact O-N 2.89Å
324M97.6Very high96.5Very high28 Ų2851.7 Ų51.714%0.13825%0.249CC..  trans-115.6138.7-179.7-69.4-178-177.600110.6N192 I207 K218 L319 A322 Q328 I329N192-M324 HydrophobicContact CB-CE 4.41Å; N192-M324 HydrophobicContact CB-SD 4.03Å; N192-M324 WeakPolarHBondContact OD1-CE 3.45Å; I207-M324 HydrophobicContact CG2-SD 3.81Å; K218-M324 HydrophobicContact CG-CE 4.08Å; L319-M324 PolarHBondContact O-N 3.37Å; A322-M324 HydrophobicContact CB-CB 4.33Å; A322-M324 HydrophobicContact CB-CG 4.08Å; A322-M324 HydrophobicContact CB-SD 4.25Å; A322-M324 PolarHBondContact O-N 2.72Å; M324-Q328 HydrophobicContact CB-CB 4.46Å; M324-I329 HydrophobicContact SD-CD1 4.18Å
325D96.4Very high96.7Very high91 Ų9151 Ų5149%0.48725%0.245SC..  trans-76.9155.7164.6-176.8-102.9000110.9S327 Q328D325-S327 PolarHBondContact O-N 2.99Å; D325-S327 VanDerWaalsContact O-N 3.14Å; D325-S327 WeakPolarHBondContact OD1-CB 3.22Å; D325-S327 PolarHBondContact OD1-N 3.42Å; D325-S327 PolarHBondContact OD1-OG 2.65Å; D325-Q328 HydrophobicContact CB-CG 4.48Å; D325-Q328 WeakPolarHBondContact O-CB 3.47Å; D325-Q328 PolarHBondContact O-N 2.94Å
326K96.1Very high96.6Very high56 Ų5651.4 Ų51.424%0.24325%0.249CC..G310 helixtrans-55.1-32.4176.8-58.5-176.9-172.8-1680112.9L319 Q328 I329 F351 F352L319-K326 HydrophobicContact CD1-CG 3.74Å; K326-Q328 VanDerWaalsContact C-N 3.25Å; K326-Q328 PolarHBondContact O-N 3.36Å; K326-I329 PolarHBondContact O-N 3.22Å; K326-F351 HydrophobicContact CD-CD1 4.06Å; K326-F351 HydrophobicContact CD-CE1 3.74Å; K326-F351 HydrophobicContact CD-CZ 4.19Å; K326-F351 WeakPolarHBondContact CD-O 3.44Å; K326-F351 HydrophobicContact CG-CE1 4.16Å; K326-F351 VanDerWaalsContact NZ-CD2 3.28Å; K326-F351 PolarHBondContact NZ-O 3.3Å; K326-F352 HydrophobicContact CB-CD1 3.83Å; K326-F352 HydrophobicContact CB-CE1 3.92Å; K326-F352 HydrophobicContact CG-CD1 4.33Å; K326-F352 HydrophobicContact CG-CE1 4.18Å
327S96.3Very high96.5Very high92 Ų9248.7 Ų48.764%0.64324%0.244SC*.G310 helixtrans-67-23.7177.660.10000113.6D325D325-S327 PolarHBondContact O-N 2.99Å; D325-S327 VanDerWaalsContact O-N 3.14Å; D325-S327 WeakPolarHBondContact OD1-CB 3.22Å; D325-S327 PolarHBondContact OD1-N 3.42Å; D325-S327 PolarHBondContact OD1-OG 2.65Å
328Q97.1Very high96.7Very high87 Ų8746 Ų4641%0.40723%0.233SC..G310 helixtrans-82.5-14.2179.6-61.9178.6-96.600113.2N192 M324 D325 K326 H330N192-Q328 WeakPolarHBondContact CB-O 3.19Å; N192-Q328 PolarHBondContact ND2-O 2.87Å; M324-Q328 HydrophobicContact CB-CB 4.46Å; D325-Q328 HydrophobicContact CB-CG 4.48Å; D325-Q328 WeakPolarHBondContact O-CB 3.47Å; D325-Q328 PolarHBondContact O-N 2.94Å; K326-Q328 VanDerWaalsContact C-N 3.25Å; K326-Q328 PolarHBondContact O-N 3.36Å; Q328-H330 PolarHBondContact O-CE1 3.16Å; Q328-H330 PolarHBondContact O-N 3.09Å; Q328-H330 PolarHBondContact O-ND1 2.87Å
329I97.8Very high96.8Very high0 Ų046 Ų460%023%0.234CC..  trans-76.7119.2173.8-57-53.9000108.4N192 L194 I207 L319 M324 K326 D331 I332 F352 K355N192-I329 HydrophobicContact CB-CD1 4.3Å; L194-I329 HydrophobicContact CB-CG2 3.83Å; I207-I329 HydrophobicContact CD1-CD1 4.18Å; I207-I329 HydrophobicContact CG1-CD1 4.41Å; I207-I329 HydrophobicContact CG2-CD1 3.94Å; L319-I329 HydrophobicContact CD2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CG1 3.65Å; M324-I329 HydrophobicContact SD-CD1 4.18Å; K326-I329 PolarHBondContact O-N 3.22Å; I329-D331 WeakPolarHBondContact CG2-O 3.41Å; I329-I332 HydrophobicContact CG2-CG1 4.15Å; I329-F352 HydrophobicContact CB-CE1 4.08Å; I329-F352 HydrophobicContact CG1-CE1 3.94Å; I329-F352 HydrophobicContact CG2-CE1 4.38Å; I329-K355 WeakPolarHBondContact O-CE 3.47Å; I329-K355 PolarHBondContact O-NZ 2.84Å
330H95.8Very high96.8Very high93 Ų9351 Ų5143%0.43125%0.252SS..  trans-80.6-51.3-178.2-62.280.6000110.7R191 N192 Q328 K355R191-H330 HydrophobicContact CG-CB 4.34Å; N192-H330 PolarHBondContact N-ND1 2.88Å; N192-H330 WeakPolarHBondContact O-CB 3.31Å; N192-H330 PolarHBondContact O-N 3.26Å; N192-H330 PolarHBondContact O-ND1 3.04Å; Q328-H330 PolarHBondContact O-CE1 3.16Å; Q328-H330 PolarHBondContact O-N 3.09Å; Q328-H330 PolarHBondContact O-ND1 2.87Å; H330-K355 PolarHBondContact O-NZ 3.39Å
331D96Very high96.8Very high25 Ų2542.8 Ų42.813%0.13422%0.221CC..EExtended strand (participates in β ladder)trans-125.1144.2-175.6-69.3-90.7000111.1Y181 R191 V193 L194 I329 N358Y181-D331 PolarHBondContact OH-OD1 2.92Å; Y181-D331 PolarHBondContact OH-OD2 2.87Å; R191-D331 IonicContact CZ-OD2 3.5Å; R191-D331 IonicContact NE-OD2 3.38Å; R191-D331 IonicContact NH1-OD1 2.67Å; R191-D331 IonicContact NH1-OD2 2.71Å; R191-D331 PolarHBondContact NH1-OD2 3.13Å; V193-D331 WeakPolarHBondContact CA-O 3.24Å; V193-D331 HydrophobicContact CG1-CB 4.2Å; V193-D331 HydrophobicContact CG2-CB 4.32Å; L194-D331 PolarHBondContact N-O 3.4Å; I329-D331 WeakPolarHBondContact CG2-O 3.41Å; D331-N358 PolarHBondContact OD1-ND2 2.87Å; D331-N358 VanDerWaalsContact OD1-ND2 3.09Å
332I97.9Very high97Very high0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-117.6106.5172.1-59.8163.8000107.4L194 I329 L348 F352 K355 L357 N358L194-I332 HydrophobicContact CD2-CG2 4Å; L194-I332 CarbonylContact O-C 3.48Å; L194-I332 WeakPolarHBondContact O-CA 3.42Å; I329-I332 HydrophobicContact CG2-CG1 4.15Å; I332-L348 HydrophobicContact CG2-CD2 3.6Å; I332-L348 HydrophobicContact CG2-CG 4.16Å; I332-F352 HydrophobicContact CD1-CB 3.77Å; I332-F352 HydrophobicContact CD1-CD1 3.93Å; I332-F352 HydrophobicContact CD1-CD2 3.33Å; I332-F352 HydrophobicContact CD1-CE1 4.38Å; I332-F352 HydrophobicContact CD1-CE2 3.86Å; I332-F352 HydrophobicContact CD1-CG 3.41Å; I332-F352 VanDerWaalsContact CD1-CG 3.41Å; I332-F352 HydrophobicContact CD1-CZ 4.37Å; I332-F352 HydrophobicContact CG1-CD2 4.32Å; I332-F352 HydrophobicContact CG1-CE2 4.39Å; I332-F352 HydrophobicContact CG1-CG 4.5Å; I332-K355 HydrophobicContact CD1-CB 4.39Å; I332-K355 HydrophobicContact CD1-CD 3.73Å; I332-K355 HydrophobicContact CD1-CG 4.23Å; I332-K355 HydrophobicContact CG1-CD 4.16Å; I332-L357 HydrophobicContact CB-CD2 4.02Å; I332-L357 HydrophobicContact CD1-CD2 4Å; I332-L357 HydrophobicContact CG2-CD2 3.79Å; I332-N358 WeakPolarHBondContact O-CA 3.44Å; I332-N358 WeakPolarHBondContact O-CB 3.41Å; I332-N358 PolarHBondContact O-N 3.22Å
333V97.4Very high97.1Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-95.3128.9-175.9-178.20000109.4Y181 V193 L194 I195 F196 V335 N358 I361Y181-V333 HydrophobicContact CD1-CG2 4.34Å; Y181-V333 HydrophobicContact CD2-CG2 3.51Å; Y181-V333 HydrophobicContact CE2-CG2 3.87Å; Y181-V333 HydrophobicContact CG-CG2 3.76Å; V193-V333 HydrophobicContact CG1-CG2 3.59Å; L194-V333 PolarHBondContact O-N 3.4Å; I195-V333 HydrophobicContact CD1-CB 3.76Å; I195-V333 HydrophobicContact CD1-CG1 4.23Å; I195-V333 HydrophobicContact CD1-CG2 4.07Å; F196-V333 PolarHBondContact N-O 2.94Å; V333-V335 HydrophobicContact CG1-CG2 4.2Å; V333-N358 HydrophobicContact CG2-CB 4.23Å; V333-I361 HydrophobicContact CG1-CD1 3.4Å; V333-I361 VanDerWaalsContact CG1-CD1 3.4Å; V333-I361 HydrophobicContact CG1-CG1 4.01Å
334L98Very high97.1Very high10 Ų1035.5 Ų35.55%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-92.2128.2177.8-60.1-178.7000110.7F196 T339 Q345 L348 L357 K359F196-L334 HydrophobicContact CB-CD2 4.32Å; F196-L334 HydrophobicContact CD1-CD2 4.33Å; L334-T339 HydrophobicContact CB-CG2 4.24Å; L334-T339 HydrophobicContact CD2-CG2 4.38Å; L334-Q345 HydrophobicContact CD1-CG 3.97Å; L334-L348 HydrophobicContact CD2-CD2 3.86Å; L334-L357 HydrophobicContact CD1-CB 4.14Å; L334-L357 HydrophobicContact CD1-CD1 3.92Å; L334-L357 HydrophobicContact CD2-CD1 4.22Å; L334-L357 HydrophobicContact CG-CB 4.36Å; L334-L357 HydrophobicContact CG-CD1 4.45Å; L334-K359 HydrophobicContact CD1-CG 4.47Å
335V97.3Very high97.2Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-131.7143.5-179.9-175.50000109.1A177 I195 F196 D197 L198 V333 T339 V367A177-V335 HydrophobicContact CB-CB 4.29Å; A177-V335 HydrophobicContact CB-CG1 3.85Å; A177-V335 HydrophobicContact CB-CG2 3.47Å; A177-V335 VanDerWaalsContact CB-CG2 3.47Å; I195-V335 HydrophobicContact CG2-CB 4.46Å; I195-V335 HydrophobicContact CG2-CG2 3.7Å; F196-V335 PolarHBondContact O-N 2.79Å; D197-V335 CarbonylContact C-O 3.57Å; D197-V335 WeakPolarHBondContact CA-O 3.32Å; D197-V335 HydrophobicContact CB-CB 3.98Å; D197-V335 HydrophobicContact CB-CG1 4.25Å; L198-V335 PolarHBondContact N-O 3.47Å; V333-V335 HydrophobicContact CG1-CG2 4.2Å; V335-T339 WeakPolarHBondContact O-CG2 3.37Å; V335-V367 HydrophobicContact CG1-CG2 3.64Å
336G96.3Very high97.2Very high9 Ų936.6 Ų36.69%0.09319%0.188CC..SBendtrans83.9140.5-177.900000113.9L198 S338 T339 P363L198-G336 CarbonylContact O-C 3.53Å; L198-G336 VanDerWaalsContact O-C 3.32Å; L198-G336 WeakPolarHBondContact O-CA 3.1Å; G336-S338 PolarHBondContact O-N 2.81Å; G336-S338 VanDerWaalsContact O-N 3.14Å; G336-T339 WeakPolarHBondContact O-CB 3.4Å; G336-T339 PolarHBondContact O-N 3.35Å; G336-T339 VanDerWaalsContact O-N 3.08Å; G336-T339 PolarHBondContact O-OG1 2.91Å; G336-P363 PolarHBondContact N-O 2.91Å
337G95.6Very high97.3Very high28 Ų2835 Ų3529%0.28918%0.182SC..G310 helixtrans-61.4-24.3-172.100000115.4T339 R340 D364G337-T339 PolarHBondContact O-N 3.48Å; G337-R340 VanDerWaalsContact O-CB 3.31Å; G337-R340 WeakPolarHBondContact O-CB 3.24Å; G337-R340 WeakPolarHBondContact O-CG 3.48Å; G337-R340 PolarHBondContact O-N 3.38Å; G337-D364 WeakPolarHBondContact CA-OD1 3.43Å; G337-D364 PolarHBondContact N-OD1 3.21Å
338S97.7Very high97.4Very high10 Ų1030.7 Ų30.77%0.0715%0.152CC..G310 helixtrans-73-15.8178.6-60.30000112.8L198 G199 G228 G336 R340 I341L198-S338 VanDerWaalsContact O-CB 3.26Å; L198-S338 WeakPolarHBondContact O-CB 3.29Å; L198-S338 PolarHBondContact O-N 2.78Å; G199-S338 PolarHBondContact O-OG 3.29Å; G228-S338 VanDerWaalsContact CA-OG 3.29Å; G228-S338 WeakPolarHBondContact CA-OG 3.29Å; G228-S338 PolarHBondContact N-OG 3.16Å; G336-S338 PolarHBondContact O-N 2.81Å; G336-S338 VanDerWaalsContact O-N 3.14Å; S338-R340 PolarHBondContact O-N 3.25Å; S338-I341 WeakPolarHBondContact O-CB 3.23Å; S338-I341 WeakPolarHBondContact O-CD1 2.99Å; S338-I341 WeakPolarHBondContact O-CG1 3.45Å; S338-I341 PolarHBondContact O-N 3.29Å
339T97.8Very high97.5Very high2 Ų229.4 Ų29.41%0.01215%0.146CC..G310 helixtrans-65.8-14.6170.662.80000113.3F196 L198 L334 V335 G336 G337 I341 Q345F196-T339 HydrophobicContact CD1-CG2 3.88Å; F196-T339 HydrophobicContact CE1-CG2 4.27Å; L198-T339 HydrophobicContact CB-CG2 3.79Å; L334-T339 HydrophobicContact CB-CG2 4.24Å; L334-T339 HydrophobicContact CD2-CG2 4.38Å; V335-T339 WeakPolarHBondContact O-CG2 3.37Å; G336-T339 WeakPolarHBondContact O-CB 3.4Å; G336-T339 PolarHBondContact O-N 3.35Å; G336-T339 VanDerWaalsContact O-N 3.08Å; G336-T339 PolarHBondContact O-OG1 2.91Å; G337-T339 PolarHBondContact O-N 3.48Å; T339-I341 PolarHBondContact O-N 3.01Å; T339-Q345 VanDerWaalsContact O-CG 3.23Å; T339-Q345 WeakPolarHBondContact O-CG 3.34Å; T339-Q345 PolarHBondContact O-NE2 2.91Å
340R97.2Very high97.5Very high115 Ų11533.9 Ų33.943%0.43417%0.17SC..G310 helixtrans-68.3-16174.6-62.6176.9-178.4-81.92112.8G337 S338 P342 N362 D364G337-R340 VanDerWaalsContact O-CB 3.31Å; G337-R340 WeakPolarHBondContact O-CB 3.24Å; G337-R340 WeakPolarHBondContact O-CG 3.48Å; G337-R340 PolarHBondContact O-N 3.38Å; S338-R340 PolarHBondContact O-N 3.25Å; R340-P342 VanDerWaalsContact O-CD 3.3Å; R340-P342 WeakPolarHBondContact O-CD 3.42Å; R340-N362 PolarHBondContact NH2-OD1 2.98Å; R340-D364 IonicContact CZ-OD2 2.71Å; R340-D364 IonicContact NE-OD2 3.78Å; R340-D364 PolarHBondContact NE-OD2 3.34Å; R340-D364 IonicContact NH2-OD2 3.89Å; R340-D364 PolarHBondContact NH2-OD2 3.21Å
341I98.2Very high97.6Very high4 Ų430.4 Ų30.42%0.02115%0.153CC..  trans-64.6119.2178.5-64.4169.2000109.6F231 F300 F308 S338 T339 K343 V344 Q345F231-I341 HydrophobicContact CD2-CD1 3.64Å; F231-I341 HydrophobicContact CE2-CD1 3.74Å; F300-I341 HydrophobicContact CE1-CD1 4.35Å; F300-I341 HydrophobicContact CE1-CG2 4.07Å; F300-I341 HydrophobicContact CZ-CD1 4.12Å; F308-I341 HydrophobicContact CE1-CD1 4.15Å; F308-I341 HydrophobicContact CE1-CG2 4.38Å; F308-I341 HydrophobicContact CE2-CG2 4.29Å; F308-I341 HydrophobicContact CZ-CD1 4.26Å; F308-I341 HydrophobicContact CZ-CG2 3.87Å; S338-I341 WeakPolarHBondContact O-CB 3.23Å; S338-I341 WeakPolarHBondContact O-CD1 2.99Å; S338-I341 WeakPolarHBondContact O-CG1 3.45Å; S338-I341 PolarHBondContact O-N 3.29Å; T339-I341 PolarHBondContact O-N 3.01Å; I341-K343 HydrophobicContact CG2-CB 4.19Å; I341-K343 PolarHBondContact O-N 2.85Å; I341-K343 VanDerWaalsContact O-N 3.15Å; I341-V344 HydrophobicContact CB-CB 4.35Å; I341-V344 HydrophobicContact CB-CG2 3.98Å; I341-V344 HydrophobicContact CG2-CG2 4.02Å; I341-V344 PolarHBondContact O-N 2.86Å; I341-V344 VanDerWaalsContact O-N 3.1Å; I341-Q345 PolarHBondContact O-N 3.14Å
342P97.7Very high97.7Very high37 Ų3729.5 Ų29.524%0.2415%0.149CC..Hα-helixtrans-57.8-34.3-176-29.436.3000114S273 R340 Q345 K346S273-P342 VanDerWaalsContact O-CG 3.27Å; S273-P342 WeakPolarHBondContact O-CG 3.4Å; R340-P342 VanDerWaalsContact O-CD 3.3Å; R340-P342 WeakPolarHBondContact O-CD 3.42Å; P342-Q345 PolarHBondContact O-N 2.85Å; P342-K346 WeakPolarHBondContact O-CB 3.37Å; P342-K346 PolarHBondContact O-N 2.69Å
343K98Very high97.6Very high58 Ų5836.4 Ų36.425%0.25219%0.185SC..Hα-helixtrans-66-39178.9-172.655.2174.3-1800113.2E301 F308 I341 K346 L347E301-K343 HydrophobicContact CB-CG 4.42Å; E301-K343 HydrophobicContact CG-CB 3.72Å; E301-K343 HydrophobicContact CG-CG 4Å; F308-K343 HydrophobicContact CD2-CB 4.02Å; F308-K343 HydrophobicContact CD2-CG 3.58Å; F308-K343 HydrophobicContact CE2-CB 4.04Å; F308-K343 HydrophobicContact CE2-CG 4.06Å; F308-K343 HydrophobicContact CG-CG 4.41Å; I341-K343 HydrophobicContact CG2-CB 4.19Å; I341-K343 PolarHBondContact O-N 2.85Å; I341-K343 VanDerWaalsContact O-N 3.15Å; K343-K346 PolarHBondContact O-N 3.01Å; K343-L347 HydrophobicContact CD-CD1 4.49Å; K343-L347 HydrophobicContact CD-CG 4.39Å; K343-L347 HydrophobicContact CG-CD1 4.27Å; K343-L347 WeakPolarHBondContact O-CB 3.27Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.46Å; K343-L347 PolarHBondContact O-N 2.66Å
344V98Very high97.6Very high1 Ų139 Ų391%0.00621%0.211CC..Hα-helixtrans-64.1-48.9176.4173.70000109.5F196 L198 F308 I341 K346 L347 L348F196-V344 HydrophobicContact CE1-CG1 3.62Å; F196-V344 HydrophobicContact CZ-CG1 3.88Å; L198-V344 HydrophobicContact CD2-CG1 3.88Å; L198-V344 HydrophobicContact CD2-CG2 4Å; F308-V344 HydrophobicContact CD1-CG2 3.8Å; F308-V344 HydrophobicContact CE1-CG2 4.01Å; F308-V344 HydrophobicContact CG-CG2 4.35Å; I341-V344 HydrophobicContact CB-CB 4.35Å; I341-V344 HydrophobicContact CB-CG2 3.98Å; I341-V344 HydrophobicContact CG2-CG2 4.02Å; I341-V344 PolarHBondContact O-N 2.86Å; I341-V344 VanDerWaalsContact O-N 3.1Å; V344-K346 VanDerWaalsContact C-N 3.35Å; V344-K346 PolarHBondContact O-N 3.08Å; V344-L347 PolarHBondContact O-N 3.09Å; V344-L348 WeakPolarHBondContact O-CB 3.44Å; V344-L348 PolarHBondContact O-N 2.83Å
345Q98.1Very high97.5Very high30 Ų3041.2 Ų41.214%0.1422%0.221CC..Hα-helixtrans-58.2-47176.2-67.6-175.725.700111.7L334 T339 I341 P342 L347 L348 Q349 L357 K359L334-Q345 HydrophobicContact CD1-CG 3.97Å; T339-Q345 VanDerWaalsContact O-CG 3.23Å; T339-Q345 WeakPolarHBondContact O-CG 3.34Å; T339-Q345 PolarHBondContact O-NE2 2.91Å; I341-Q345 PolarHBondContact O-N 3.14Å; P342-Q345 PolarHBondContact O-N 2.85Å; Q345-L347 PolarHBondContact O-N 2.72Å; Q345-L348 PolarHBondContact O-N 2.8Å; Q345-Q349 WeakPolarHBondContact O-CG 3.23Å; Q345-Q349 PolarHBondContact O-N 2.54Å; Q345-L357 HydrophobicContact CB-CD1 3.6Å; Q345-L357 HydrophobicContact CG-CD1 3.82Å; Q345-K359 VanDerWaalsContact OE1-CE 3.24Å
346K98Very high97.5Very high111 Ų11149.2 Ų49.248%0.48326%0.258SS..Hα-helixtrans-60-47.8179.1-179.2173.2-179.8174.80111.9P342 K343 V344 L348 Q349 D350P342-K346 WeakPolarHBondContact O-CB 3.37Å; P342-K346 PolarHBondContact O-N 2.69Å; K343-K346 PolarHBondContact O-N 3.01Å; V344-K346 VanDerWaalsContact C-N 3.35Å; V344-K346 PolarHBondContact O-N 3.08Å; K346-L348 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 2.96Å; K346-Q349 PolarHBondContact O-N 2.9Å; K346-D350 WeakPolarHBondContact CG-OD2 3.3Å; K346-D350 VanDerWaalsContact O-CB 3.31Å; K346-D350 WeakPolarHBondContact O-CB 3.31Å; K346-D350 PolarHBondContact O-N 2.83Å
347L98Very high97.6Very high23 Ų2349 Ų4912%0.1226%0.255CS..Hα-helixtrans-60.3-40178.5-74.4170.9000111.8F308 K343 V344 Q345 F351F308-L347 HydrophobicContact CB-CD1 3.74Å; F308-L347 WeakPolarHBondContact O-CD1 3.38Å; K343-L347 HydrophobicContact CD-CD1 4.49Å; K343-L347 HydrophobicContact CD-CG 4.39Å; K343-L347 HydrophobicContact CG-CD1 4.27Å; K343-L347 WeakPolarHBondContact O-CB 3.27Å; K343-L347 VanDerWaalsContact O-CG 3.3Å; K343-L347 WeakPolarHBondContact O-CG 3.46Å; K343-L347 PolarHBondContact O-N 2.66Å; V344-L347 PolarHBondContact O-N 3.09Å; Q345-L347 PolarHBondContact O-N 2.72Å; L347-F351 VanDerWaalsContact O-CB 3.24Å; L347-F351 WeakPolarHBondContact O-CB 3.41Å; L347-F351 PolarHBondContact O-N 2.77Å
348L97.9Very high97.6Very high1 Ų148.8 Ų48.81%0.00525%0.247CC..Hα-helixtrans-68-43.9177.4-169.560000111.9F196 V315 I332 L334 V344 Q345 K346 F351 F352 L357F196-L348 HydrophobicContact CB-CD2 4.02Å; F196-L348 HydrophobicContact CD1-CD2 4.17Å; F196-L348 HydrophobicContact CD2-CD1 3.8Å; F196-L348 HydrophobicContact CD2-CD2 3.66Å; F196-L348 HydrophobicContact CD2-CG 4.38Å; F196-L348 HydrophobicContact CE2-CD1 3.94Å; F196-L348 HydrophobicContact CE2-CD2 4.11Å; F196-L348 HydrophobicContact CG-CD2 3.69Å; V315-L348 HydrophobicContact CG2-CD1 4.25Å; I332-L348 HydrophobicContact CG2-CD2 3.6Å; I332-L348 HydrophobicContact CG2-CG 4.16Å; L334-L348 HydrophobicContact CD2-CD2 3.86Å; V344-L348 WeakPolarHBondContact O-CB 3.44Å; V344-L348 PolarHBondContact O-N 2.83Å; Q345-L348 PolarHBondContact O-N 2.8Å; K346-L348 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 2.96Å; L348-F351 PolarHBondContact O-N 3.05Å; L348-F352 HydrophobicContact CD1-CD2 3.93Å; L348-F352 HydrophobicContact CD1-CE2 3.76Å; L348-F352 HydrophobicContact CG-CD2 4.38Å; L348-F352 WeakPolarHBondContact O-CD2 3.32Å; L348-F352 PolarHBondContact O-N 3.05Å; L348-L357 HydrophobicContact CB-CD2 4.45Å; L348-L357 HydrophobicContact CD2-CD2 3.97Å; L348-L357 HydrophobicContact CG-CD2 4.04Å
349Q98.1Very high97.3Very high61 Ų6154.9 Ų54.929%0.28527%0.272SS..Hα-helixtrans-61.1-48.9174.5-72.1-179.4-61.300111.7Q345 K346 F351 F352 N353 G354 L357Q345-Q349 WeakPolarHBondContact O-CG 3.23Å; Q345-Q349 PolarHBondContact O-N 2.54Å; K346-Q349 PolarHBondContact O-N 2.9Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 PolarHBondContact O-N 3.25Å; Q349-F352 CarbonylContact O-C 3.6Å; Q349-F352 VanDerWaalsContact O-C 3.3Å; Q349-F352 PolarHBondContact O-N 2.79Å; Q349-F352 VanDerWaalsContact O-N 3.1Å; Q349-N353 PolarHBondContact O-N 3.38Å; Q349-G354 WeakPolarHBondContact O-CA 3.49Å; Q349-G354 PolarHBondContact O-N 3.35Å; Q349-L357 HydrophobicContact CG-CD1 3.75Å; Q349-L357 HydrophobicContact CG-CD2 3.82Å; Q349-L357 HydrophobicContact CG-CG 3.5Å; Q349-L357 VanDerWaalsContact CG-CG 3.5Å
350D97.9Very high97Very high94 Ų9458 Ų5850%0.50330%0.295SS..Hα-helixtrans-58-43.5178-69.5-15.6000109.9K346 F352 N353K346-D350 WeakPolarHBondContact CG-OD2 3.3Å; K346-D350 VanDerWaalsContact O-CB 3.31Å; K346-D350 WeakPolarHBondContact O-CB 3.31Å; K346-D350 PolarHBondContact O-N 2.83Å; D350-F352 VanDerWaalsContact C-N 3.3Å; D350-F352 PolarHBondContact O-N 3.22Å; D350-N353 PolarHBondContact O-N 3.33Å; D350-N353 VanDerWaalsContact O-N 3.15Å
351F97.9Very high96.8Very high19 Ų1954 Ų548%0.08328%0.282CS..Hα-helixtrans-61.4-35.9177.1-179.8-88.7000113L312 V315 E316 L319 K326 L347 L348 Q349 N353L312-F351 HydrophobicContact CD1-CD2 4.32Å; L312-F351 HydrophobicContact CD2-CB 3.93Å; L312-F351 HydrophobicContact CD2-CD2 4.12Å; L312-F351 HydrophobicContact CD2-CG 4.07Å; V315-F351 HydrophobicContact CB-CE1 4.5Å; V315-F351 HydrophobicContact CG1-CD1 4Å; V315-F351 HydrophobicContact CG1-CE1 3.47Å; V315-F351 VanDerWaalsContact CG1-CE1 3.47Å; V315-F351 HydrophobicContact CG1-CZ 3.98Å; E316-F351 HydrophobicContact CB-CZ 4.49Å; E316-F351 HydrophobicContact CG-CE2 3.4Å; E316-F351 VanDerWaalsContact CG-CE2 3.4Å; E316-F351 HydrophobicContact CG-CZ 3.44Å; E316-F351 VanDerWaalsContact CG-CZ 3.44Å; E316-F351 WeakPolarHBondContact OE1-CE2 3.38Å; L319-F351 HydrophobicContact CD1-CE1 3.69Å; L319-F351 HydrophobicContact CD1-CZ 4.03Å; K326-F351 HydrophobicContact CD-CD1 4.06Å; K326-F351 HydrophobicContact CD-CE1 3.74Å; K326-F351 HydrophobicContact CD-CZ 4.19Å; K326-F351 WeakPolarHBondContact CD-O 3.44Å; K326-F351 HydrophobicContact CG-CE1 4.16Å; K326-F351 VanDerWaalsContact NZ-CD2 3.28Å; K326-F351 PolarHBondContact NZ-O 3.3Å; L347-F351 VanDerWaalsContact O-CB 3.24Å; L347-F351 WeakPolarHBondContact O-CB 3.41Å; L347-F351 PolarHBondContact O-N 2.77Å; L348-F351 PolarHBondContact O-N 3.05Å; Q349-F351 VanDerWaalsContact C-N 3.27Å; Q349-F351 PolarHBondContact O-N 3.25Å; F351-N353 VanDerWaalsContact C-N 3.35Å
352F98Very high96.7Very high7 Ų756.6 Ų56.63%0.03130%0.295CS..THydrogen-bonded Turntrans-94.926.9176.2-77.6-83.9000113.4L194 V315 L319 K326 I329 I332 L348 Q349 D350 G354 K355L194-F352 HydrophobicContact CD1-CE2 4.22Å; L194-F352 HydrophobicContact CD1-CZ 3.76Å; V315-F352 HydrophobicContact CG1-CE2 3.8Å; V315-F352 HydrophobicContact CG1-CZ 4Å; L319-F352 HydrophobicContact CD1-CE1 4.34Å; L319-F352 HydrophobicContact CD1-CZ 4.08Å; K326-F352 HydrophobicContact CB-CD1 3.83Å; K326-F352 HydrophobicContact CB-CE1 3.92Å; K326-F352 HydrophobicContact CG-CD1 4.33Å; K326-F352 HydrophobicContact CG-CE1 4.18Å; I329-F352 HydrophobicContact CB-CE1 4.08Å; I329-F352 HydrophobicContact CG1-CE1 3.94Å; I329-F352 HydrophobicContact CG2-CE1 4.38Å; I332-F352 HydrophobicContact CD1-CB 3.77Å; I332-F352 HydrophobicContact CD1-CD1 3.93Å; I332-F352 HydrophobicContact CD1-CD2 3.33Å; I332-F352 HydrophobicContact CD1-CE1 4.38Å; I332-F352 HydrophobicContact CD1-CE2 3.86Å; I332-F352 HydrophobicContact CD1-CG 3.41Å; I332-F352 VanDerWaalsContact CD1-CG 3.41Å; I332-F352 HydrophobicContact CD1-CZ 4.37Å; I332-F352 HydrophobicContact CG1-CD2 4.32Å; I332-F352 HydrophobicContact CG1-CE2 4.39Å; I332-F352 HydrophobicContact CG1-CG 4.5Å; L348-F352 HydrophobicContact CD1-CD2 3.93Å; L348-F352 HydrophobicContact CD1-CE2 3.76Å; L348-F352 HydrophobicContact CG-CD2 4.38Å; L348-F352 WeakPolarHBondContact O-CD2 3.32Å; L348-F352 PolarHBondContact O-N 3.05Å; Q349-F352 CarbonylContact O-C 3.6Å; Q349-F352 VanDerWaalsContact O-C 3.3Å; Q349-F352 PolarHBondContact O-N 2.79Å; Q349-F352 VanDerWaalsContact O-N 3.1Å; D350-F352 VanDerWaalsContact C-N 3.3Å; D350-F352 PolarHBondContact O-N 3.22Å; F352-G354 VanDerWaalsContact C-N 3.31Å; F352-G354 PolarHBondContact O-N 2.95Å; F352-K355 HydrophobicContact CB-CB 3.84Å; F352-K355 WeakPolarHBondContact O-CB 3.31Å; F352-K355 PolarHBondContact O-N 2.9Å
353N96.8Very high96.6Very high145 Ų14555.7 Ų55.778%0.77529%0.289SS*.THydrogen-bonded Turntrans57.438.1174.8-53-48.3000114Q349 D350 F351Q349-N353 PolarHBondContact O-N 3.38Å; D350-N353 PolarHBondContact O-N 3.33Å; D350-N353 VanDerWaalsContact O-N 3.15Å; F351-N353 VanDerWaalsContact C-N 3.35Å
354G96.3Very high96.5Very high53 Ų5355.5 Ų55.555%0.54629%0.291SS..THydrogen-bonded Turntrans82.810.117900000114.9Q349 F352 E356Q349-G354 WeakPolarHBondContact O-CA 3.49Å; Q349-G354 PolarHBondContact O-N 3.35Å; F352-G354 VanDerWaalsContact C-N 3.31Å; F352-G354 PolarHBondContact O-N 2.95Å; G354-E356 PolarHBondContact O-N 3.14Å
355K97.4Very high96.5Very high58 Ų5856.7 Ų56.725%0.25230%0.297SS..PPolyproline II helixtrans-53.7135.7174.4-174.8179-74.3-89.60110.8I329 H330 I332 F352I329-K355 WeakPolarHBondContact O-CE 3.47Å; I329-K355 PolarHBondContact O-NZ 2.84Å; H330-K355 PolarHBondContact O-NZ 3.39Å; I332-K355 HydrophobicContact CD1-CB 4.39Å; I332-K355 HydrophobicContact CD1-CD 3.73Å; I332-K355 HydrophobicContact CD1-CG 4.23Å; I332-K355 HydrophobicContact CG1-CD 4.16Å; F352-K355 HydrophobicContact CB-CB 3.84Å; F352-K355 WeakPolarHBondContact O-CB 3.31Å; F352-K355 PolarHBondContact O-N 2.9Å
356E97.2Very high96.4Very high167 Ų16755.4 Ų55.478%0.7829%0.291SS*.PPolyproline II helixtrans-67.5134178-170.6173.8-175.800110.9G354G354-E356 PolarHBondContact O-N 3.14Å
357L97.6Very high96.4Very high6 Ų650.4 Ų50.43%0.03127%0.27CS..PPolyproline II helixtrans-82.4136.1176.9-54.9179.8000109.7I332 L334 Q345 L348 Q349 K359I332-L357 HydrophobicContact CB-CD2 4.02Å; I332-L357 HydrophobicContact CD1-CD2 4Å; I332-L357 HydrophobicContact CG2-CD2 3.79Å; L334-L357 HydrophobicContact CD1-CB 4.14Å; L334-L357 HydrophobicContact CD1-CD1 3.92Å; L334-L357 HydrophobicContact CD2-CD1 4.22Å; L334-L357 HydrophobicContact CG-CB 4.36Å; L334-L357 HydrophobicContact CG-CD1 4.45Å; Q345-L357 HydrophobicContact CB-CD1 3.6Å; Q345-L357 HydrophobicContact CG-CD1 3.82Å; L348-L357 HydrophobicContact CB-CD2 4.45Å; L348-L357 HydrophobicContact CD2-CD2 3.97Å; L348-L357 HydrophobicContact CG-CD2 4.04Å; Q349-L357 HydrophobicContact CG-CD1 3.75Å; Q349-L357 HydrophobicContact CG-CD2 3.82Å; Q349-L357 HydrophobicContact CG-CG 3.5Å; Q349-L357 VanDerWaalsContact CG-CG 3.5Å; L357-K359 PolarHBondContact O-N 3.2Å
358N94.9Very high96.4Very high23 Ų2349.3 Ų49.312%0.12326%0.264CS..BIsolated β-bridgetrans-77.5115.5179-164.6-53.1000110.4Y181 D331 I332 V333 S360Y181-N358 WeakPolarHBondContact CE2-ND2 3.28Å; D331-N358 PolarHBondContact OD1-ND2 2.87Å; D331-N358 VanDerWaalsContact OD1-ND2 3.09Å; I332-N358 WeakPolarHBondContact O-CA 3.44Å; I332-N358 WeakPolarHBondContact O-CB 3.41Å; I332-N358 PolarHBondContact O-N 3.22Å; V333-N358 HydrophobicContact CG2-CB 4.23Å; N358-S360 VanDerWaalsContact OD1-CB 3.3Å; N358-S360 WeakPolarHBondContact OD1-CB 3.46Å; N358-S360 PolarHBondContact OD1-N 2.66Å; N358-S360 PolarHBondContact OD1-OG 3.08Å
359K92.1Very high96.4Very high137 Ų13751.3 Ų51.360%0.59627%0.272SS*.  trans-114.122.7179.2-60.8178179.2-178.50112.1L334 Q345 L357 I361L334-K359 HydrophobicContact CD1-CG 4.47Å; Q345-K359 VanDerWaalsContact OE1-CE 3.24Å; L357-K359 PolarHBondContact O-N 3.2Å; K359-I361 VanDerWaalsContact C-N 3.29Å; K359-I361 PolarHBondContact O-N 3.14Å
360S91.4Very high96.3Very high69 Ų6948.4 Ų48.448%0.48326%0.258SS..SBendtrans-77.3-12.6-173.464.10000114.4N358N358-S360 VanDerWaalsContact OD1-CB 3.3Å; N358-S360 WeakPolarHBondContact OD1-CB 3.46Å; N358-S360 PolarHBondContact OD1-N 2.66Å; N358-S360 PolarHBondContact OD1-OG 3.08Å
361I93Very high96.3Very high31 Ų3144 Ų4416%0.15923%0.234CC..SBendtrans-117.7154.5176.467.5178.8000110.3V333 K359 P363 A366V333-I361 HydrophobicContact CG1-CD1 3.4Å; V333-I361 VanDerWaalsContact CG1-CD1 3.4Å; V333-I361 HydrophobicContact CG1-CG1 4.01Å; K359-I361 VanDerWaalsContact C-N 3.29Å; K359-I361 PolarHBondContact O-N 3.14Å; I361-P363 WeakPolarHBondContact O-CD 3.3Å; I361-A366 HydrophobicContact CD1-CB 3.58Å; I361-A366 HydrophobicContact CG1-CB 4.22Å
362N95.6Very high96.2Very high57 Ų5743.1 Ų43.131%0.30523%0.231SC..  trans-75.1116.9173.3-175.5-11.8000109.6R340 D364 E365 A366R340-N362 PolarHBondContact NH2-OD1 2.98Å; N362-D364 PolarHBondContact O-N 3.21Å; N362-D364 PolarHBondContact OD1-N 3.19Å; N362-D364 VanDerWaalsContact OD1-N 3.15Å; N362-E365 HydrophobicContact CB-CB 4.14Å; N362-E365 HydrophobicContact CB-CG 4.32Å; N362-E365 WeakPolarHBondContact ND2-CG 3.21Å; N362-E365 PolarHBondContact ND2-OE1 2.79Å; N362-E365 PolarHBondContact ND2-OE2 3.18Å; N362-E365 PolarHBondContact O-N 3.29Å; N362-E365 VanDerWaalsContact O-N 3.16Å; N362-A366 WeakPolarHBondContact O-CB 3.17Å; N362-A366 PolarHBondContact O-N 3.49Å
363P96.7Very high96.1Very high18 Ų1842.8 Ų42.812%0.11723%0.229CC..THydrogen-bonded Turntrans-63.2-24.5-175.525.9-36.1000113.5G336 I361G336-P363 PolarHBondContact N-O 2.91Å; I361-P363 WeakPolarHBondContact O-CD 3.3Å
364D96.3Very high96Very high54 Ų5436.1 Ų36.129%0.28919%0.194SC..THydrogen-bonded Turntrans-87.7-10.9-178-59.1-62.2000113T35 G337 R340 N362T35-D364 HydrophobicContact CG2-CB 4.28Å; G337-D364 WeakPolarHBondContact CA-OD1 3.43Å; G337-D364 PolarHBondContact N-OD1 3.21Å; R340-D364 IonicContact CZ-OD2 2.71Å; R340-D364 IonicContact NE-OD2 3.78Å; R340-D364 PolarHBondContact NE-OD2 3.34Å; R340-D364 IonicContact NH2-OD2 3.89Å; R340-D364 PolarHBondContact NH2-OD2 3.21Å; N362-D364 PolarHBondContact O-N 3.21Å; N362-D364 PolarHBondContact OD1-N 3.19Å; N362-D364 VanDerWaalsContact OD1-N 3.15Å
365E97.2Very high95.9Very high27 Ų2733.6 Ų33.613%0.12617%0.168CC..THydrogen-bonded Turntrans-118.9-21-175.5-62.8173.8-172.100112.8I26 R34 N362 V367 A368 Y369I26-E365 HydrophobicContact CD1-CB 4.49Å; I26-E365 HydrophobicContact CG1-CB 4.19Å; I26-E365 HydrophobicContact CG1-CG 4.49Å; I26-E365 HydrophobicContact CG2-CG 4.2Å; R34-E365 WeakPolarHBondContact CD-OE1 3.49Å; R34-E365 IonicContact NH1-OE1 3.14Å; R34-E365 PolarHBondContact NH1-OE1 2.82Å; R34-E365 IonicContact NH1-OE2 3.55Å; R34-E365 PolarHBondContact NH1-OE2 3Å; N362-E365 HydrophobicContact CB-CB 4.14Å; N362-E365 HydrophobicContact CB-CG 4.32Å; N362-E365 WeakPolarHBondContact ND2-CG 3.21Å; N362-E365 PolarHBondContact ND2-OE1 2.79Å; N362-E365 PolarHBondContact ND2-OE2 3.18Å; N362-E365 PolarHBondContact O-N 3.29Å; N362-E365 VanDerWaalsContact O-N 3.16Å; E365-V367 VanDerWaalsContact C-N 3.28Å; E365-V367 PolarHBondContact O-N 3.29Å; E365-A368 PolarHBondContact O-N 3.13Å; E365-Y369 WeakPolarHBondContact O-CB 3.29Å; E365-Y369 PolarHBondContact O-N 2.98Å
366A96.9Very high95.7Very high3 Ų331.1 Ų31.13%0.02516%0.158CC..Hα-helixtrans-53.4-40.5-172.700000114A177 A180 I361 N362 Y369 G370A177-A366 HydrophobicContact CB-CB 4.18Å; A180-A366 HydrophobicContact CB-CB 4.32Å; A180-A366 VanDerWaalsContact CB-O 3.23Å; A180-A366 WeakPolarHBondContact CB-O 3.45Å; I361-A366 HydrophobicContact CD1-CB 3.58Å; I361-A366 HydrophobicContact CG1-CB 4.22Å; N362-A366 WeakPolarHBondContact O-CB 3.17Å; N362-A366 PolarHBondContact O-N 3.49Å; A366-Y369 WeakPolarHBondContact O-CB 3.19Å; A366-Y369 PolarHBondContact O-N 3.31Å; A366-G370 PolarHBondContact O-N 3.13Å
367V97.9Very high95.5Very high5 Ų525.2 Ų25.23%0.0313%0.131CC..Hα-helixtrans-66.3-50.9-179.7174.90000110.9D8 T143 E173 A176 A177 V335 E365 Y369 G370 A371D8-V367 HydrophobicContact CB-CB 4.13Å; D8-V367 HydrophobicContact CB-CG1 3.76Å; T143-V367 HydrophobicContact CG2-CG1 3.41Å; T143-V367 VanDerWaalsContact CG2-CG1 3.41Å; T143-V367 WeakPolarHBondContact OG1-CG1 3.41Å; E173-V367 HydrophobicContact CB-CG1 4.21Å; E173-V367 HydrophobicContact CB-CG2 4.3Å; E173-V367 HydrophobicContact CG-CG1 3.82Å; A176-V367 HydrophobicContact CB-CG1 4.42Å; A176-V367 WeakPolarHBondContact CB-O 3.45Å; A177-V367 HydrophobicContact CB-CG2 4.27Å; V335-V367 HydrophobicContact CG1-CG2 3.64Å; E365-V367 VanDerWaalsContact C-N 3.28Å; E365-V367 PolarHBondContact O-N 3.29Å; V367-Y369 PolarHBondContact O-N 3.49Å; V367-G370 PolarHBondContact O-N 3.25Å; V367-A371 WeakPolarHBondContact O-CB 3.34Å; V367-A371 PolarHBondContact O-N 2.91Å
368A98.2Very high95.2Very high0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-62.9-35.1176.800000111.6D8 C15 I26 E365 A371 A372D8-A368 HydrophobicContact CB-CB 3.89Å; C15-A368 HydrophobicContact CB-CB 3.74Å; C15-A368 VanDerWaalsContact SG-CB 3.56Å; I26-A368 HydrophobicContact CD1-CB 4.22Å; E365-A368 PolarHBondContact O-N 3.13Å; A368-A371 PolarHBondContact O-N 2.95Å; A368-A372 WeakPolarHBondContact O-CB 3.16Å; A368-A372 PolarHBondContact O-N 2.96Å
369Y97Very high95Very high44 Ų4428.8 Ų28.817%0.17315%0.153CC..Hα-helixtrans-59.6-53.5175.6-171.3-69000111V24 A180 L183 E365 A366 V367 A371 A372 V373V24-Y369 HydrophobicContact CB-CD1 4.18Å; V24-Y369 HydrophobicContact CB-CD2 3.7Å; V24-Y369 HydrophobicContact CB-CE1 3.94Å; V24-Y369 HydrophobicContact CB-CE2 3.5Å; V24-Y369 VanDerWaalsContact CB-CE2 3.5Å; V24-Y369 HydrophobicContact CB-CG 4.04Å; V24-Y369 HydrophobicContact CG1-CD1 4.4Å; V24-Y369 HydrophobicContact CG1-CD2 3.69Å; V24-Y369 HydrophobicContact CG1-CE2 4.03Å; V24-Y369 HydrophobicContact CG1-CG 3.89Å; V24-Y369 HydrophobicContact CG2-CD1 3.88Å; V24-Y369 HydrophobicContact CG2-CD2 4.33Å; V24-Y369 HydrophobicContact CG2-CE1 3.59Å; V24-Y369 HydrophobicContact CG2-CE2 4.12Å; V24-Y369 HydrophobicContact CG2-CG 4.22Å; A180-Y369 HydrophobicContact CB-CD1 3.57Å; A180-Y369 HydrophobicContact CB-CE1 4.41Å; A180-Y369 HydrophobicContact CB-CG 3.98Å; L183-Y369 HydrophobicContact CD2-CE1 3.9Å; E365-Y369 WeakPolarHBondContact O-CB 3.29Å; E365-Y369 PolarHBondContact O-N 2.98Å; A366-Y369 WeakPolarHBondContact O-CB 3.19Å; A366-Y369 PolarHBondContact O-N 3.31Å; V367-Y369 PolarHBondContact O-N 3.49Å; Y369-A371 VanDerWaalsContact C-N 3.32Å; Y369-A371 PolarHBondContact O-N 2.8Å; Y369-A372 WeakPolarHBondContact O-CB 3.29Å; Y369-A372 PolarHBondContact O-N 3.29Å; Y369-A372 VanDerWaalsContact O-N 3.11Å; Y369-V373 HydrophobicContact CD1-CG2 4.1Å; Y369-V373 HydrophobicContact CE1-CG2 3.93Å; Y369-V373 PolarHBondContact O-N 3.33Å; Y369-V373 VanDerWaalsContact O-N 3.11Å
370G96Very high94.7Very high0 Ų024.7 Ų24.70%015%0.15CC..Hα-helixtrans-63.4-37.1178.400000113.5A176 A366 V367 A372 V373 Q374A176-G370 VanDerWaalsContact O-CA 3.26Å; A176-G370 WeakPolarHBondContact O-CA 3.22Å; A366-G370 PolarHBondContact O-N 3.13Å; V367-G370 PolarHBondContact O-N 3.25Å; G370-A372 VanDerWaalsContact C-N 3.28Å; G370-A372 PolarHBondContact O-N 2.76Å; G370-V373 PolarHBondContact O-N 3.41Å; G370-Q374 PolarHBondContact O-N 2.81Å
371A97.6Very high94.3Very high0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-61.4-37.9173.400000111.7G6 V141 T143 V367 A368 Y369 Q374 A375G6-A371 VanDerWaalsContact CA-C 3.5Å; V141-A371 HydrophobicContact CG1-CB 4.26Å; T143-A371 HydrophobicContact CG2-CB 3.66Å; V367-A371 WeakPolarHBondContact O-CB 3.34Å; V367-A371 PolarHBondContact O-N 2.91Å; A368-A371 PolarHBondContact O-N 2.95Å; Y369-A371 VanDerWaalsContact C-N 3.32Å; Y369-A371 PolarHBondContact O-N 2.8Å; A371-Q374 PolarHBondContact O-N 2.81Å; A371-A375 WeakPolarHBondContact O-CB 3.14Å; A371-A375 PolarHBondContact O-N 3.08Å
372A96.6Very high93.6Very high1 Ų131.1 Ų31.11%0.00817%0.169CC..Hα-helixtrans-69.1-38.1178.700000111.8V24 A368 Y369 G370 A375 A376V24-A372 HydrophobicContact CG1-CB 3.75Å; V24-A372 HydrophobicContact CG2-CB 4.25Å; A368-A372 WeakPolarHBondContact O-CB 3.16Å; A368-A372 PolarHBondContact O-N 2.96Å; Y369-A372 WeakPolarHBondContact O-CB 3.29Å; Y369-A372 PolarHBondContact O-N 3.29Å; Y369-A372 VanDerWaalsContact O-N 3.11Å; G370-A372 VanDerWaalsContact C-N 3.28Å; G370-A372 PolarHBondContact O-N 2.76Å; A372-A375 PolarHBondContact O-N 2.87Å; A372-A376 PolarHBondContact O-N 3.09Å
373V94.7Very high92.8Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-60-48.8170.7177.90000110.5V24 I179 L183 Y369 G370 A375 A376 I377 V386 L389V24-V373 HydrophobicContact CG2-CG2 3.53Å; I179-V373 HydrophobicContact CG2-CB 3.76Å; I179-V373 HydrophobicContact CG2-CG1 3.69Å; I179-V373 HydrophobicContact CG2-CG2 4.08Å; L183-V373 HydrophobicContact CD1-CG1 4.45Å; L183-V373 HydrophobicContact CD2-CG2 3.86Å; Y369-V373 HydrophobicContact CD1-CG2 4.1Å; Y369-V373 HydrophobicContact CE1-CG2 3.93Å; Y369-V373 PolarHBondContact O-N 3.33Å; Y369-V373 VanDerWaalsContact O-N 3.11Å; G370-V373 PolarHBondContact O-N 3.41Å; V373-A375 VanDerWaalsContact C-N 3.3Å; V373-A375 PolarHBondContact O-N 3.39Å; V373-A376 VanDerWaalsContact O-CB 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.39Å; V373-A376 PolarHBondContact O-N 3.39Å; V373-A376 VanDerWaalsContact O-N 3.12Å; V373-I377 HydrophobicContact CG1-CD1 3.98Å; V373-I377 WeakPolarHBondContact O-CG1 3.37Å; V373-I377 PolarHBondContact O-N 3.45Å; V373-V386 HydrophobicContact CG1-CG1 3.85Å; V373-L389 HydrophobicContact CG1-CD1 4.14Å
374Q94.6Very high91.9Very high5 Ų537.7 Ų37.72%0.02320%0.2CC..Hα-helixtrans-62.4-38.4179.4-172.261.640.200112.1V141 I171 G370 A371 A376 I377 L378V141-Q374 HydrophobicContact CG1-CB 4.25Å; V141-Q374 HydrophobicContact CG1-CG 4.21Å; V141-Q374 HydrophobicContact CG2-CB 4.5Å; V141-Q374 HydrophobicContact CG2-CG 4.3Å; I171-Q374 HydrophobicContact CD1-CB 4.27Å; I171-Q374 HydrophobicContact CD1-CG 4.13Å; G370-Q374 PolarHBondContact O-N 2.81Å; A371-Q374 PolarHBondContact O-N 2.81Å; Q374-A376 VanDerWaalsContact C-N 3.32Å; Q374-I377 PolarHBondContact O-N 3.17Å; Q374-L378 HydrophobicContact CG-CD1 4.12Å; Q374-L378 VanDerWaalsContact O-CG 3.3Å; Q374-L378 WeakPolarHBondContact O-CG 3.42Å; Q374-L378 PolarHBondContact O-N 2.96Å
375A95.6Very high90.7Very high0 Ų037.7 Ų37.70%021%0.207CC..Hα-helixtrans-62.6-39.2174.900000111.8A4 V141 A371 A372 V373 S379A4-A375 HydrophobicContact CB-CB 3.87Å; V141-A375 HydrophobicContact CB-CB 4.12Å; V141-A375 HydrophobicContact CG2-CB 3.77Å; A371-A375 WeakPolarHBondContact O-CB 3.14Å; A371-A375 PolarHBondContact O-N 3.08Å; A372-A375 PolarHBondContact O-N 2.87Å; V373-A375 VanDerWaalsContact C-N 3.3Å; V373-A375 PolarHBondContact O-N 3.39Å; A375-S379 WeakPolarHBondContact O-CB 3.31Å; A375-S379 PolarHBondContact O-N 3.34Å; A375-S379 PolarHBondContact O-OG 3.24Å
376A93.5Very high90Very high6 Ų636.4 Ų36.45%0.0520%0.201CC..Hα-helixtrans-63.6-48.6175.700000112F19 A372 V373 Q374 L378 S379 G380 E381F19-A376 HydrophobicContact CB-CB 3.49Å; F19-A376 VanDerWaalsContact CB-CB 3.49Å; F19-A376 HydrophobicContact CD1-CB 3.89Å; F19-A376 HydrophobicContact CD2-CB 4.22Å; F19-A376 HydrophobicContact CG-CB 3.61Å; A372-A376 PolarHBondContact O-N 3.09Å; V373-A376 VanDerWaalsContact O-CB 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.39Å; V373-A376 PolarHBondContact O-N 3.39Å; V373-A376 VanDerWaalsContact O-N 3.12Å; Q374-A376 VanDerWaalsContact C-N 3.32Å; A376-L378 VanDerWaalsContact C-N 3.35Å; A376-L378 PolarHBondContact O-N 2.86Å; A376-S379 CarbonylContact O-C 3.48Å; A376-S379 PolarHBondContact O-N 2.79Å; A376-S379 VanDerWaalsContact O-N 3.13Å; A376-G380 PolarHBondContact O-N 2.68Å; A376-E381 HydrophobicContact CB-CB 3.93Å; A376-E381 HydrophobicContact CB-CG 4.34Å; A376-E381 VanDerWaalsContact O-CB 3.25Å; A376-E381 WeakPolarHBondContact O-CB 3.22Å; A376-E381 PolarHBondContact O-N 3.35Å
377I91.9Very high89Confident43 Ų4342.3 Ų42.322%0.22123%0.228CC..Hα-helixtrans-57.9-48.2178.4-66.5165.1000110.4V373 Q374 S379 G380 V386 L389V373-I377 HydrophobicContact CG1-CD1 3.98Å; V373-I377 WeakPolarHBondContact O-CG1 3.37Å; V373-I377 PolarHBondContact O-N 3.45Å; Q374-I377 PolarHBondContact O-N 3.17Å; I377-S379 PolarHBondContact O-N 3.15Å; I377-G380 PolarHBondContact O-N 2.82Å; I377-G380 VanDerWaalsContact O-N 3.09Å; I377-V386 HydrophobicContact CD1-CB 4.33Å; I377-V386 HydrophobicContact CG1-CB 3.93Å; I377-V386 HydrophobicContact CG1-CG2 4.3Å; I377-L389 HydrophobicContact CD1-CB 3.8Å; I377-L389 HydrophobicContact CD1-CD1 4.19Å; I377-L389 HydrophobicContact CD1-CD2 3.84Å; I377-L389 HydrophobicContact CD1-CG 4.14Å
378L92Very high88.1Confident63 Ų6348 Ų4833%0.3326%0.259SS..Hα-helixtrans-69.3-22.2-179.5-67173.4000113.4V141 L168 R169 Q374 A376 G380V141-L378 HydrophobicContact CG2-CD1 3.9Å; L168-L378 HydrophobicContact CB-CD1 4.05Å; L168-L378 HydrophobicContact CD1-CB 4.09Å; R169-L378 HydrophobicContact CB-CD1 3.51Å; R169-L378 HydrophobicContact CG-CD1 4.41Å; Q374-L378 HydrophobicContact CG-CD1 4.12Å; Q374-L378 VanDerWaalsContact O-CG 3.3Å; Q374-L378 WeakPolarHBondContact O-CG 3.42Å; Q374-L378 PolarHBondContact O-N 2.96Å; A376-L378 VanDerWaalsContact C-N 3.35Å; A376-L378 PolarHBondContact O-N 2.86Å; L378-G380 VanDerWaalsContact C-N 3.29Å
379S90.9Very high87.6Confident41 Ų4149.1 Ų49.129%0.28727%0.265SS..THydrogen-bonded Turntrans-86.41.5174.1-57.60000113.7A4 A375 A376 I377A4-S379 WeakPolarHBondContact CB-OG 3.45Å; A375-S379 WeakPolarHBondContact O-CB 3.31Å; A375-S379 PolarHBondContact O-N 3.34Å; A375-S379 PolarHBondContact O-OG 3.24Å; A376-S379 CarbonylContact O-C 3.48Å; A376-S379 PolarHBondContact O-N 2.79Å; A376-S379 VanDerWaalsContact O-N 3.13Å; I377-S379 PolarHBondContact O-N 3.15Å
380G86Confident87.3Confident51 Ų5151.2 Ų51.253%0.52628%0.278SS..THydrogen-bonded Turntrans80.625.917800000114.6A376 I377 L378 K382A376-G380 PolarHBondContact O-N 2.68Å; I377-G380 PolarHBondContact O-N 2.82Å; I377-G380 VanDerWaalsContact O-N 3.09Å; L378-G380 VanDerWaalsContact C-N 3.29Å; G380-K382 PolarHBondContact O-N 2.94Å
381E81.9Confident87Confident61 Ų6152.6 Ų52.629%0.28529%0.285SS..  trans-60.3128.6170.3-171.563-149.900110F19 A376 C383 V386F19-E381 HydrophobicContact CD1-CG 3.89Å; F19-E381 HydrophobicContact CE1-CG 3.7Å; A376-E381 HydrophobicContact CB-CB 3.93Å; A376-E381 HydrophobicContact CB-CG 4.34Å; A376-E381 VanDerWaalsContact O-CB 3.25Å; A376-E381 WeakPolarHBondContact O-CB 3.22Å; A376-E381 PolarHBondContact O-N 3.35Å; E381-C383 HydrophobicContact CG-CB 4.16Å; E381-V386 HydrophobicContact CB-CG2 4.5Å; E381-V386 HydrophobicContact CG-CG2 4.32Å
382K78.2Confident86.8Confident175 Ų17555 Ų5576%0.76130%0.298SS*.  trans-107.623.5-175.6-59.6-172.7-179.7-178.50113G380G380-K382 PolarHBondContact O-N 2.94Å
383C79.6Confident86.6Confident33 Ų3355.7 Ų55.722%0.22330%0.302CS..  trans-66.4135.6177-174.80000109.6F19 E381 A385 V386 Q387F19-C383 HydrophobicContact CE1-CB 4.19Å; F19-C383 HydrophobicContact CZ-CB 4.25Å; E381-C383 HydrophobicContact CG-CB 4.16Å; C383-A385 PolarHBondContact O-N 3.33Å; C383-V386 HydrophobicContact CB-CG2 4.19Å; C383-V386 WeakPolarHBondContact O-CG2 3.42Å; C383-V386 PolarHBondContact O-N 2.97Å; C383-Q387 PolarHBondContact O-N 3.37Å; C383-Q387 VanDerWaalsContact O-N 3.13Å
384E76.5Confident86.4Confident179 Ų17955.8 Ų55.884%0.83630%0.302SS*.THydrogen-bonded Turntrans-51.9-30.2177.8-70.6-176170.600112.4V386E384-V386 VanDerWaalsContact C-N 3.27Å; E384-V386 PolarHBondContact O-N 3.5Å
385A72.6Confident86.1Confident54 Ų5455.8 Ų55.845%0.44630%0.303SS..THydrogen-bonded Turntrans-66.7-24.9-178.400000113.8L183 C383L183-A385 WeakPolarHBondContact CD1-O 3.47Å; C383-A385 PolarHBondContact O-N 3.33Å
386V81.1Confident85.5Confident1 Ų156.8 Ų56.81%0.00631%0.309CS..THydrogen-bonded Turntrans-122.3-11.1-172.1-59.30000113.8F19 L183 V373 I377 E381 C383 E384 D388 L389F19-V386 HydrophobicContact CE2-CG1 3.73Å; F19-V386 HydrophobicContact CZ-CG1 3.89Å; L183-V386 HydrophobicContact CD1-CG1 4.02Å; V373-V386 HydrophobicContact CG1-CG1 3.85Å; I377-V386 HydrophobicContact CD1-CB 4.33Å; I377-V386 HydrophobicContact CG1-CB 3.93Å; I377-V386 HydrophobicContact CG1-CG2 4.3Å; E381-V386 HydrophobicContact CB-CG2 4.5Å; E381-V386 HydrophobicContact CG-CG2 4.32Å; C383-V386 HydrophobicContact CB-CG2 4.19Å; C383-V386 WeakPolarHBondContact O-CG2 3.42Å; C383-V386 PolarHBondContact O-N 2.97Å; E384-V386 VanDerWaalsContact C-N 3.27Å; E384-V386 PolarHBondContact O-N 3.5Å; V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.93Å; V386-L389 WeakPolarHBondContact O-CB 3.14Å; V386-L389 PolarHBondContact O-N 2.91Å
387Q76.3Confident85.2Confident127 Ų12758.1 Ų58.159%0.59332%0.315SS*.THydrogen-bonded Turntrans-62.7-36.9-171-178.3173.6-11.800113.4C383C383-Q387 PolarHBondContact O-N 3.37Å; C383-Q387 VanDerWaalsContact O-N 3.13Å
388D79.9Confident85.1Confident124 Ų12456.4 Ų56.466%0.66331%0.307SS*.THydrogen-bonded Turntrans-95.810.2-175.7-60.6-37000113V386 L390V386-D388 VanDerWaalsContact C-N 3.33Å; V386-D388 PolarHBondContact O-N 2.93Å; D388-L390 PolarHBondContact O-N 3.39Å
389L87.8Confident85.1Confident24 Ų2453.9 Ų53.913%0.12629%0.294CS..  trans-76.7114.1-178.9-166.5154.2000111I179 G213 F215 V373 I377 V386 L391I179-L389 HydrophobicContact CD1-CD2 4.41Å; I179-L389 HydrophobicContact CG1-CD1 4.39Å; I179-L389 HydrophobicContact CG2-CD1 3.83Å; G213-L389 VanDerWaalsContact O-CA 3.31Å; G213-L389 WeakPolarHBondContact O-CA 3.15Å; F215-L389 HydrophobicContact CD2-CD1 4.2Å; F215-L389 HydrophobicContact CD2-CD2 4.19Å; F215-L389 HydrophobicContact CD2-CG 3.85Å; F215-L389 HydrophobicContact CE2-CD1 3.68Å; F215-L389 HydrophobicContact CE2-CD2 4.47Å; F215-L389 HydrophobicContact CE2-CG 3.7Å; F215-L389 HydrophobicContact CZ-CD1 4.33Å; V373-L389 HydrophobicContact CG1-CD1 4.14Å; I377-L389 HydrophobicContact CD1-CB 3.8Å; I377-L389 HydrophobicContact CD1-CD1 4.19Å; I377-L389 HydrophobicContact CD1-CD2 3.84Å; I377-L389 HydrophobicContact CD1-CG 4.14Å; V386-L389 WeakPolarHBondContact O-CB 3.14Å; V386-L389 PolarHBondContact O-N 2.91Å; L389-L391 HydrophobicContact CD2-CB 4.46Å
390L89.7Confident85.1Confident87 Ų8752 Ų5246%0.45528%0.281SS..EExtended strand (participates in β ladder)trans-112.3127.6171.8179.865.2000110G213 I214 F215 D388 L392G213-L390 PolarHBondContact O-N 3.28Å; I214-L390 CarbonylContact C-O 3.53Å; I214-L390 WeakPolarHBondContact CA-O 3.37Å; I214-L390 HydrophobicContact CG1-CB 4.36Å; I214-L390 HydrophobicContact CG2-CD2 4.47Å; F215-L390 PolarHBondContact N-O 3.17Å; D388-L390 PolarHBondContact O-N 3.39Å; L390-L392 HydrophobicContact CD2-CD2 4.47Å; L390-L392 HydrophobicContact CD2-CG 4.46Å; L390-L392 HydrophobicContact CG-CD2 4.47Å; L390-L392 HydrophobicContact CG-CG 4.41Å
391L90.6Very high85.6Confident29 Ų2949.8 Ų49.815%0.15226%0.257CS..EExtended strand (participates in β ladder)trans-108.3124.9176.7177.865.1000111.6I171 T175 I179 F215 L389I171-L391 HydrophobicContact CD1-CD2 3.7Å; I171-L391 HydrophobicContact CG1-CD2 4.16Å; T175-L391 HydrophobicContact CG2-CD1 3.06Å; T175-L391 HydrophobicContact CG2-CD2 3.52Å; T175-L391 HydrophobicContact CG2-CG 3.82Å; I179-L391 HydrophobicContact CD1-CD2 4.42Å; F215-L391 HydrophobicContact CB-CD1 3.92Å; L389-L391 HydrophobicContact CD2-CB 4.46Å
392L92Very high86.1Confident52 Ų5250 Ų5027%0.27226%0.258SS..EExtended strand (participates in β ladder)trans-11999.2174.2-61.2176.5000109.1I214 F215 E216 V217 L390 T417I214-L392 HydrophobicContact CG2-CD1 4.27Å; F215-L392 PolarHBondContact O-N 3.35Å; E216-L392 HydrophobicContact CB-CB 4.37Å; E216-L392 HydrophobicContact CB-CD1 4.47Å; E216-L392 HydrophobicContact CG-CB 4.06Å; E216-L392 HydrophobicContact CG-CD1 4.15Å; V217-L392 PolarHBondContact N-O 3.48Å; L390-L392 HydrophobicContact CD2-CD2 4.47Å; L390-L392 HydrophobicContact CD2-CG 4.46Å; L390-L392 HydrophobicContact CG-CD2 4.47Å; L390-L392 HydrophobicContact CG-CG 4.41Å; L392-T417 HydrophobicContact CB-CG2 4.01Å; L392-T417 HydrophobicContact CD2-CG2 4.31Å
393D92.4Very high86.6Confident15 Ų1543.5 Ų43.58%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-91.2174.1177.9-145.2-39.9000111.1N172 T175 T417 I418N172-D393 WeakPolarHBondContact CB-OD2 3.34Å; N172-D393 PolarHBondContact ND2-OD1 2.83Å; N172-D393 PolarHBondContact ND2-OD2 3.01Å; T175-D393 PolarHBondContact OG1-OD2 2.9Å; D393-T417 CarbonylContact O-C 3.59Å; D393-T417 VanDerWaalsContact O-CA 3.25Å; D393-T417 WeakPolarHBondContact O-CA 3.5Å; D393-I418 HydrophobicContact CB-CD1 4.37Å; D393-I418 HydrophobicContact CB-CG1 4.07Å; D393-I418 PolarHBondContact O-N 2.67Å
394V90.7Very high86.7Confident2 Ų244.8 Ų44.81%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-133157.1-178.3-60.70000113.4V217 T220 N415 T416V217-V394 HydrophobicContact CB-CG1 4.21Å; V217-V394 HydrophobicContact CB-CG2 4.17Å; V217-V394 HydrophobicContact CG1-CG1 4.48Å; V217-V394 HydrophobicContact CG1-CG2 3.63Å; V217-V394 WeakPolarHBondContact O-CG1 3.48Å; T220-V394 HydrophobicContact CG2-CG2 4.12Å; V394-N415 WeakPolarHBondContact CG1-O 3.49Å; V394-N415 HydrophobicContact CG2-CB 4.46Å; V394-T416 CarbonylContact C-O 3.56Å; V394-T416 VanDerWaalsContact CA-O 3.28Å; V394-T416 WeakPolarHBondContact CA-O 3.44Å
395A88Confident86.9Confident4 Ų439.7 Ų39.73%0.03324%0.242CC..  trans-72.2125.4171.300000111.2L397 I412 R414 N415 T416 I418 I478A395-L397 PolarHBondContact O-N 2.81Å; A395-I412 HydrophobicContact CB-CG2 4.39Å; A395-R414 CarbonylContact O-C 3.53Å; A395-N415 WeakPolarHBondContact O-CA 3.48Å; A395-N415 PolarHBondContact O-N 3.21Å; A395-T416 PolarHBondContact N-O 2.76Å; A395-I418 HydrophobicContact CB-CG2 4.26Å; A395-I478 HydrophobicContact CB-CD1 4.25Å
396P84.7Confident87.4Confident21 Ų2138.1 Ų38.114%0.13623%0.23CC..SBendtrans-69.7-32.3-175.528.2-37.4000113.7A146 Y147 T220A146-P396 WeakPolarHBondContact O-CG 3.09Å; Y147-P396 HydrophobicContact CD1-CB 4.47Å; Y147-P396 HydrophobicContact CD2-CB 4.12Å; Y147-P396 HydrophobicContact CE1-CB 4.42Å; Y147-P396 HydrophobicContact CE2-CB 3.99Å; Y147-P396 HydrophobicContact CG-CB 4.32Å; T220-P396 HydrophobicContact CG2-CB 3.71Å
397L86.7Confident87.7Confident34 Ų3441 Ų4118%0.17825%0.247CC..SBendtrans-129.1157-177.9-67.6175.2000110.5Y147 A395 E442 E444Y147-L397 HydrophobicContact CE1-CD2 4Å; Y147-L397 HydrophobicContact CE1-CG 4.18Å; A395-L397 PolarHBondContact O-N 2.81Å; L397-E442 HydrophobicContact CD1-CG 4.44Å; L397-E444 HydrophobicContact CD2-CG 4.35Å
398S88.8Confident88.3Confident7 Ų736 Ų365%0.04922%0.224CC..  trans-71.5139.1173.4-57.40000110.2I412 R414 E442 G443 E444S398-I412 CarbonylContact C-O 3.6Å; S398-I412 VanDerWaalsContact CA-O 3.25Å; S398-I412 WeakPolarHBondContact CA-O 3.45Å; S398-R414 PolarHBondContact OG-N 2.85Å; S398-E442 WeakPolarHBondContact O-CA 3.48Å; S398-G443 PolarHBondContact O-N 3.33Å; S398-E444 WeakPolarHBondContact CA-OE1 3.26Å; S398-E444 WeakPolarHBondContact CB-OE1 3.19Å; S398-E444 PolarHBondContact N-OE1 2.98Å; S398-E444 VanDerWaalsContact OG-CD 3.27Å; S398-E444 PolarHBondContact OG-OE1 2.84Å; S398-E444 PolarHBondContact OG-OE2 3.5Å
399L91.9Very high89Confident11 Ų1131.7 Ų31.76%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-117.3132.8-179.6-63.4164.6000109.2L411 I412 E442 L454 F476 I478 L484L399-L411 PolarHBondContact O-N 3.4Å; L399-I412 HydrophobicContact CB-CB 4.36Å; L399-I412 PolarHBondContact N-O 3.21Å; L399-I412 PolarHBondContact O-N 3.49Å; L399-I412 VanDerWaalsContact O-N 3.12Å; L399-E442 HydrophobicContact CD2-CB 3.68Å; L399-L454 HydrophobicContact CD2-CD1 3.56Å; L399-F476 HydrophobicContact CB-CD1 3.97Å; L399-F476 HydrophobicContact CB-CE1 4.05Å; L399-I478 HydrophobicContact CD1-CD1 3.37Å; L399-I478 HydrophobicContact CD1-CG1 4.1Å; L399-L484 HydrophobicContact CD1-CD1 4.33Å; L399-L484 HydrophobicContact CD1-CD2 4.23Å; L399-L484 HydrophobicContact CD2-CD2 4.12Å
400G92.7Very high89.1Confident0 Ų032.4 Ų32.40%021%0.212CC..EExtended strand (participates in β ladder)trans-165.1-174.6-170.800000113.3M408 T409 V440 F441 F476G400-M408 VanDerWaalsContact CA-CE 3.43Å; G400-M408 VanDerWaalsContact N-CE 3.31Å; G400-T409 CarbonylContact C-O 3.52Å; G400-T409 WeakPolarHBondContact CA-O 3.39Å; G400-V440 WeakPolarHBondContact O-CA 3.45Å; G400-F441 PolarHBondContact N-O 2.82Å; G400-F441 VanDerWaalsContact N-O 3.08Å; G400-F441 PolarHBondContact O-N 2.81Å; G400-F476 WeakPolarHBondContact O-CZ 3.48Å
401L94.5Very high89.4Confident5 Ų529.1 Ų29.13%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-129.6160-177.864.485.1000112.6T403 T409 L411 F426 Q439 V474 F476L401-T403 HydrophobicContact CD1-CG2 3.7Å; L401-T409 PolarHBondContact N-O 3.31Å; L401-T409 PolarHBondContact O-N 2.86Å; L401-L411 HydrophobicContact CD2-CD1 4.19Å; L401-L411 HydrophobicContact CG-CD1 4.23Å; L401-F426 HydrophobicContact CD1-CD1 4.24Å; L401-F426 HydrophobicContact CD1-CE1 3.88Å; L401-F426 HydrophobicContact CD1-CE2 4.41Å; L401-F426 HydrophobicContact CD1-CZ 3.98Å; L401-F426 HydrophobicContact CD2-CD2 4.13Å; L401-F426 HydrophobicContact CD2-CE2 3.62Å; L401-F426 HydrophobicContact CD2-CZ 3.85Å; L401-F426 HydrophobicContact CG-CE1 4.48Å; L401-F426 HydrophobicContact CG-CE2 4.37Å; L401-F426 HydrophobicContact CG-CZ 4.09Å; L401-Q439 CarbonylContact C-O 3.58Å; L401-Q439 WeakPolarHBondContact CA-O 3.37Å; L401-Q439 WeakPolarHBondContact CB-O 3.5Å; L401-V474 HydrophobicContact CD2-CB 3.99Å; L401-V474 HydrophobicContact CD2-CG1 3.64Å; L401-V474 HydrophobicContact CD2-CG2 4.06Å; L401-F476 HydrophobicContact CB-CZ 4.29Å; L401-F476 HydrophobicContact CD2-CE2 4.13Å
402E92.4Very high89.6Confident67 Ų6727.8 Ų27.831%0.31319%0.188SC..EExtended strand (participates in β ladder)trans-73.7127.7173.1-169170.297.400111.7Q439 F441 T448E402-Q439 HydrophobicContact CB-CB 4.23Å; E402-Q439 PolarHBondContact N-O 3.25Å; E402-Q439 PolarHBondContact OE1-NE2 2.91Å; E402-F441 HydrophobicContact CB-CE2 3.82Å; E402-T448 HydrophobicContact CB-CG2 3.77Å; E402-T448 HydrophobicContact CG-CG2 3.85Å; E402-T448 WeakPolarHBondContact OE2-CB 3.28Å; E402-T448 PolarHBondContact OE2-OG1 3.24Å
403T88.9Confident89.6Confident38 Ų3832.2 Ų32.223%0.23321%0.205CC..EExtended strand (participates in β ladder)trans-111.9178.1169.957.60000110.8L401 G405 G406 V407 T409 F426L401-T403 HydrophobicContact CD1-CG2 3.7Å; T403-G405 PolarHBondContact O-N 3.49Å; T403-G406 PolarHBondContact O-N 3.32Å; T403-G406 VanDerWaalsContact O-N 3.1Å; T403-V407 PolarHBondContact N-O 3.03Å; T403-V407 PolarHBondContact O-N 3.06Å; T403-V407 PolarHBondContact OG1-O 3.14Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.36Å; T403-T409 PolarHBondContact OG1-OG1 3.48Å; T403-F426 HydrophobicContact CG2-CD1 4.11Å; T403-F426 HydrophobicContact CG2-CE1 3.79Å
404A82.6Confident89.5Confident59 Ų5933.3 Ų33.349%0.48821%0.208SC..THydrogen-bonded Turntrans-46.7133.2-178.600000112.9Y429A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE2 3.5Å
405G80.6Confident89.5Confident73 Ų7334.6 Ų34.675%0.75322%0.215SC*.THydrogen-bonded Turntrans81.310.8-178.600000115.2T403T403-G405 PolarHBondContact O-N 3.49Å
406G84Confident89.7Confident20 Ų2036.2 Ų36.221%0.20622%0.224CC..THydrogen-bonded Turntrans75.825.6179.900000113T403 L447 T448T403-G406 PolarHBondContact O-N 3.32Å; T403-G406 VanDerWaalsContact O-N 3.1Å; G406-L447 CarbonylContact O-C 3.57Å; G406-L447 VanDerWaalsContact O-CA 3.3Å; G406-L447 WeakPolarHBondContact O-CA 3.43Å; G406-T448 PolarHBondContact O-N 3.35Å; G406-T448 PolarHBondContact O-OG1 3.25Å; G406-T448 VanDerWaalsContact O-OG1 3.11Å
407V86.9Confident90.2Very high61 Ų6137.8 Ų37.837%0.3723%0.234SC..EExtended strand (participates in β ladder)trans-87.3131.2-177.41780000109.8T403 T409 L447T403-V407 PolarHBondContact N-O 3.03Å; T403-V407 PolarHBondContact O-N 3.06Å; T403-V407 PolarHBondContact OG1-O 3.14Å; V407-T409 PolarHBondContact O-N 2.71Å; V407-L447 HydrophobicContact CG2-CD2 4.28Å
408M89.3Confident90.4Very high22 Ų2236.9 Ų36.911%0.10823%0.229CC..EExtended strand (participates in β ladder)trans-74.6118.6174178.958.5169.800110.3G400 F441 R445 A446 T448 N451G400-M408 VanDerWaalsContact CA-CE 3.43Å; G400-M408 VanDerWaalsContact N-CE 3.31Å; M408-F441 HydrophobicContact CE-CB 3.88Å; M408-F441 WeakPolarHBondContact CE-O 3.16Å; M408-F441 HydrophobicContact SD-CB 3.78Å; M408-F441 HydrophobicContact SD-CG 4.49Å; M408-R445 WeakPolarHBondContact CB-O 3.46Å; M408-A446 PolarHBondContact N-O 3.23Å; M408-T448 HydrophobicContact CB-CG2 4.05Å; M408-T448 HydrophobicContact SD-CG2 4.29Å; M408-N451 WeakPolarHBondContact CB-ND2 3.5Å; M408-N451 WeakPolarHBondContact CG-ND2 3.32Å
409T93.5Very high90.7Very high34 Ų3440.8 Ų40.821%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-108.6106.6171.3-63.50000109.5G400 L401 T403 V407 L411 F426G400-T409 CarbonylContact C-O 3.52Å; G400-T409 WeakPolarHBondContact CA-O 3.39Å; L401-T409 PolarHBondContact N-O 3.31Å; L401-T409 PolarHBondContact O-N 2.86Å; T403-T409 WeakPolarHBondContact CG2-OG1 3.36Å; T403-T409 PolarHBondContact OG1-OG1 3.48Å; V407-T409 PolarHBondContact O-N 2.71Å; T409-L411 HydrophobicContact CG2-CD1 4.43Å; T409-L411 WeakPolarHBondContact O-CD1 3.48Å; T409-F426 HydrophobicContact CG2-CE1 4.11Å; T409-F426 HydrophobicContact CG2-CZ 4.15Å
410A90.8Very high90.9Very high39 Ų3941.5 Ų41.532%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-76.4126.3178.200000111.4
411L95.3Very high91Very high18 Ų1847.7 Ų47.79%0.09429%0.286CS..EExtended strand (participates in β ladder)trans-96.5-40.5172.8-8073000110.7L399 L401 T409 Q422 Q424 F426 F476L399-L411 PolarHBondContact O-N 3.4Å; L401-L411 HydrophobicContact CD2-CD1 4.19Å; L401-L411 HydrophobicContact CG-CD1 4.23Å; T409-L411 HydrophobicContact CG2-CD1 4.43Å; T409-L411 WeakPolarHBondContact O-CD1 3.48Å; L411-Q422 HydrophobicContact CB-CB 4.43Å; L411-Q424 HydrophobicContact CD2-CB 3.98Å; L411-Q424 HydrophobicContact CG-CB 4.18Å; L411-F426 HydrophobicContact CD1-CE2 4.32Å; L411-F426 HydrophobicContact CD1-CZ 3.96Å; L411-F426 HydrophobicContact CD2-CE2 4.38Å; L411-F476 HydrophobicContact CB-CD2 4.35Å; L411-F476 HydrophobicContact CB-CG 4.26Å; L411-F476 HydrophobicContact CD1-CE2 4.39Å; L411-F476 HydrophobicContact CD2-CD2 3.55Å; L411-F476 HydrophobicContact CD2-CE2 3.92Å; L411-F476 HydrophobicContact CD2-CG 4.23Å; L411-F476 HydrophobicContact CG-CD2 4.41Å
412I93.8Very high91.1Very high1 Ų151.2 Ų51.21%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-111.8118.6172.9-61.3172000106.6A395 S398 L399 T416 T420 Q422 F476 I478A395-I412 HydrophobicContact CB-CG2 4.39Å; S398-I412 CarbonylContact C-O 3.6Å; S398-I412 VanDerWaalsContact CA-O 3.25Å; S398-I412 WeakPolarHBondContact CA-O 3.45Å; L399-I412 HydrophobicContact CB-CB 4.36Å; L399-I412 PolarHBondContact N-O 3.21Å; L399-I412 PolarHBondContact O-N 3.49Å; L399-I412 VanDerWaalsContact O-N 3.12Å; I412-T416 HydrophobicContact CG2-CG2 4.17Å; I412-T420 HydrophobicContact CD1-CG2 3.87Å; I412-T420 HydrophobicContact CG1-CG2 4.32Å; I412-T420 HydrophobicContact CG2-CG2 4.17Å; I412-Q422 HydrophobicContact CD1-CG 4.46Å; I412-Q422 HydrophobicContact CG1-CB 3.88Å; I412-Q422 HydrophobicContact CG1-CG 3.63Å; I412-F476 HydrophobicContact CD1-CB 3.64Å; I412-F476 HydrophobicContact CG1-CB 4.16Å; I412-I478 HydrophobicContact CB-CD1 4.44Å; I412-I478 HydrophobicContact CD1-CD1 3.47Å; I412-I478 VanDerWaalsContact CD1-CD1 3.47Å; I412-I478 HydrophobicContact CD1-CG1 3.65Å; I412-I478 HydrophobicContact CG2-CD1 3.9Å
413K92.7Very high91.3Very high145 Ų14551.2 Ų51.263%0.6331%0.307SS*.  trans-81.8152.9178.4-65.1-179.4-178.5176.50109.7T416K413-T416 PolarHBondContact N-OG1 2.9Å; K413-T416 VanDerWaalsContact O-CB 3.24Å; K413-T416 WeakPolarHBondContact O-CB 3.47Å; K413-T416 PolarHBondContact O-N 3.29Å; K413-T416 VanDerWaalsContact O-N 3.15Å; K413-T416 PolarHBondContact O-OG1 3.42Å
414R90Very high91.6Very high39 Ų3953.3 Ų53.315%0.14731%0.314CS..THydrogen-bonded Turntrans-51.1148.4168.364.6179.5-58.3-133.8-10.1111.8T220 K317 D321 A395 S398 T416 E444T220-R414 PolarHBondContact O-NH2 2.86Å; K317-R414 VanDerWaalsContact CE-CZ 3.48Å; K317-R414 VanDerWaalsContact CE-NH1 3.28Å; K317-R414 VanDerWaalsContact CE-NH2 3.28Å; D321-R414 IonicContact OD1-CZ 2.76Å; D321-R414 IonicContact OD1-NH1 3.7Å; D321-R414 PolarHBondContact OD1-NH1 3.41Å; D321-R414 IonicContact OD1-NH2 3.48Å; D321-R414 IonicContact OD2-CZ 3.41Å; D321-R414 IonicContact OD2-NH1 3.18Å; D321-R414 PolarHBondContact OD2-NH1 3.14Å; D321-R414 IonicContact OD2-NH2 3.36Å; D321-R414 PolarHBondContact OD2-NH2 3.45Å; A395-R414 CarbonylContact O-C 3.53Å; S398-R414 PolarHBondContact OG-N 2.85Å; R414-T416 PolarHBondContact O-N 2.95Å; R414-E444 VanDerWaalsContact CD-CD 3.46Å; R414-E444 WeakPolarHBondContact CD-OE2 3.3Å
415N90.3Very high92.2Very high28 Ų2853.4 Ų53.415%0.1531%0.309CS..THydrogen-bonded Turntrans60.716-173.2-48.4-55.3000114.9S219 T220 D321 V394 A395S219-N415 WeakPolarHBondContact CA-OD1 3.33Å; T220-N415 PolarHBondContact N-OD1 2.88Å; T220-N415 VanDerWaalsContact N-OD1 3.15Å; D321-N415 WeakPolarHBondContact CB-ND2 3.37Å; V394-N415 WeakPolarHBondContact CG1-O 3.49Å; V394-N415 HydrophobicContact CG2-CB 4.46Å; A395-N415 WeakPolarHBondContact O-CA 3.48Å; A395-N415 PolarHBondContact O-N 3.21Å
416T94.2Very high92.8Very high38 Ų3851.6 Ų51.623%0.23328%0.28CS..  trans-70.1130.5168.2-58.30000109V394 A395 I412 K413 R414 T420V394-T416 CarbonylContact C-O 3.56Å; V394-T416 VanDerWaalsContact CA-O 3.28Å; V394-T416 WeakPolarHBondContact CA-O 3.44Å; A395-T416 PolarHBondContact N-O 2.76Å; I412-T416 HydrophobicContact CG2-CG2 4.17Å; K413-T416 PolarHBondContact N-OG1 2.9Å; K413-T416 VanDerWaalsContact O-CB 3.24Å; K413-T416 WeakPolarHBondContact O-CB 3.47Å; K413-T416 PolarHBondContact O-N 3.29Å; K413-T416 VanDerWaalsContact O-N 3.15Å; K413-T416 PolarHBondContact O-OG1 3.42Å; R414-T416 PolarHBondContact O-N 2.95Å; T416-T420 HydrophobicContact CG2-CG2 4.01Å
417T94.9Very high93.1Very high55 Ų5554.2 Ų54.234%0.33729%0.292SS..EExtended strand (participates in β ladder)trans-57.2137.6176.2-48.60000111.6L392 D393 T420L392-T417 HydrophobicContact CB-CG2 4.01Å; L392-T417 HydrophobicContact CD2-CG2 4.31Å; D393-T417 CarbonylContact O-C 3.59Å; D393-T417 VanDerWaalsContact O-CA 3.25Å; D393-T417 WeakPolarHBondContact O-CA 3.5Å; T417-T420 VanDerWaalsContact O-CB 3.29Å; T417-T420 WeakPolarHBondContact O-CB 3.3Å
418I91.1Very high93.2Very high15 Ų1551.6 Ų51.68%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-117148.9177.461166.8000110.9D393 A395 T420 I478D393-I418 HydrophobicContact CB-CD1 4.37Å; D393-I418 HydrophobicContact CB-CG1 4.07Å; D393-I418 PolarHBondContact O-N 2.67Å; A395-I418 HydrophobicContact CB-CG2 4.26Å; I418-T420 HydrophobicContact CG2-CG2 4.25Å; I418-I478 HydrophobicContact CB-CG2 4.21Å; I418-I478 HydrophobicContact CD1-CG2 4.41Å; I418-I478 HydrophobicContact CG2-CB 4.11Å; I418-I478 HydrophobicContact CG2-CD1 4.17Å; I418-I478 HydrophobicContact CG2-CG2 3.75Å
419P93.8Very high93.1Very high88 Ų8857.9 Ų57.957%0.57130%0.3SS*.SBendcis-69.2149.11.529.7-35.9000113.3I478P419-I478 CarbonylContact C-O 3.51Å; P419-I478 WeakPolarHBondContact CA-O 3.29Å; P419-I478 VanDerWaalsContact CB-O 3.28Å; P419-I478 WeakPolarHBondContact CB-O 3.29Å
420T95.6Very high92.8Very high26 Ų2659 Ų5916%0.1631%0.309CS..EExtended strand (participates in β ladder)trans-151.9150.9-179.5-163.80000112.4I412 T416 T417 I418 I478I412-T420 HydrophobicContact CD1-CG2 3.87Å; I412-T420 HydrophobicContact CG1-CG2 4.32Å; I412-T420 HydrophobicContact CG2-CG2 4.17Å; T416-T420 HydrophobicContact CG2-CG2 4.01Å; T417-T420 VanDerWaalsContact O-CB 3.29Å; T417-T420 WeakPolarHBondContact O-CB 3.3Å; I418-T420 HydrophobicContact CG2-CG2 4.25Å; T420-I478 HydrophobicContact CG2-CB 4.49Å; T420-I478 HydrophobicContact CG2-CD1 4.33Å; T420-I478 PolarHBondContact N-O 2.83Å; T420-I478 PolarHBondContact O-N 2.84Å
421K96.5Very high92.8Very high130 Ų13061.7 Ų61.757%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-131.5122.5179.3-172.9174.3-175.1172.50110.1T475 F476 D477K421-T475 HydrophobicContact CD-CG2 4.18Å; K421-T475 HydrophobicContact CG-CG2 3.77Å; K421-F476 CarbonylContact C-O 3.57Å; K421-F476 WeakPolarHBondContact CA-O 3.35Å; K421-D477 HydrophobicContact CG-CB 4.23Å
422Q96.8Very high92.6Very high80 Ų8065.4 Ų65.437%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-124134.3178.7-65.3-63.4-16.200110.1L411 I412 T475 F476L411-Q422 HydrophobicContact CB-CB 4.43Å; I412-Q422 HydrophobicContact CD1-CG 4.46Å; I412-Q422 HydrophobicContact CG1-CB 3.88Å; I412-Q422 HydrophobicContact CG1-CG 3.63Å; Q422-T475 CarbonylContact O-C 3.6Å; Q422-T475 WeakPolarHBondContact O-CA 3.14Å; Q422-F476 PolarHBondContact N-O 2.98Å; Q422-F476 PolarHBondContact O-N 2.86Å
423T96.3Very high92.4Very high67 Ų6767.3 Ų67.341%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-126.8133.8-178.6-62.80000109.9E473 V474 T475T423-E473 HydrophobicContact CG2-CG 3.23Å; T423-V474 WeakPolarHBondContact CA-O 3.41Å; T423-T475 WeakPolarHBondContact CG2-OG1 3.48Å; T423-T475 WeakPolarHBondContact OG1-CG2 3.33Å; T423-T475 PolarHBondContact OG1-OG1 2.9Å
424Q95.4Very high92.2Very high82 Ų8264.9 Ų64.938%0.38335%0.346SS..EExtended strand (participates in β ladder)trans-139.1142.3175.6-172.4172.47.600110.6L411 F426 V474L411-Q424 HydrophobicContact CD2-CB 3.98Å; L411-Q424 HydrophobicContact CG-CB 4.18Å; Q424-F426 HydrophobicContact CB-CE2 3.77Å; Q424-F426 HydrophobicContact CB-CZ 4.14Å; Q424-F426 HydrophobicContact CG-CE2 3.91Å; Q424-F426 HydrophobicContact CG-CZ 3.92Å; Q424-F426 WeakPolarHBondContact O-CD2 3.49Å; Q424-V474 PolarHBondContact N-O 3.23Å; Q424-V474 PolarHBondContact O-N 3.18Å
425T94.7Very high92.1Very high61 Ų6163.3 Ų63.337%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-93.3128177.8-53.80000110.8Q471 I472T425-Q471 HydrophobicContact CG2-CB 3.81Å; T425-Q471 HydrophobicContact CG2-CG 4.26Å; T425-I472 CarbonylContact C-O 3.6Å; T425-I472 WeakPolarHBondContact CA-O 3.36Å
426F93.5Very high92.1Very high35 Ų3563 Ų6315%0.15434%0.341CS..EExtended strand (participates in β ladder)trans-113.8174.4174.8-63.4-87.4000110.2L401 T403 T409 L411 Q424 I472 V474L401-F426 HydrophobicContact CD1-CD1 4.24Å; L401-F426 HydrophobicContact CD1-CE1 3.88Å; L401-F426 HydrophobicContact CD1-CE2 4.41Å; L401-F426 HydrophobicContact CD1-CZ 3.98Å; L401-F426 HydrophobicContact CD2-CD2 4.13Å; L401-F426 HydrophobicContact CD2-CE2 3.62Å; L401-F426 HydrophobicContact CD2-CZ 3.85Å; L401-F426 HydrophobicContact CG-CE1 4.48Å; L401-F426 HydrophobicContact CG-CE2 4.37Å; L401-F426 HydrophobicContact CG-CZ 4.09Å; T403-F426 HydrophobicContact CG2-CD1 4.11Å; T403-F426 HydrophobicContact CG2-CE1 3.79Å; T409-F426 HydrophobicContact CG2-CE1 4.11Å; T409-F426 HydrophobicContact CG2-CZ 4.15Å; L411-F426 HydrophobicContact CD1-CE2 4.32Å; L411-F426 HydrophobicContact CD1-CZ 3.96Å; L411-F426 HydrophobicContact CD2-CE2 4.38Å; Q424-F426 HydrophobicContact CB-CE2 3.77Å; Q424-F426 HydrophobicContact CB-CZ 4.14Å; Q424-F426 HydrophobicContact CG-CE2 3.91Å; Q424-F426 HydrophobicContact CG-CZ 3.92Å; Q424-F426 WeakPolarHBondContact O-CD2 3.49Å; F426-I472 PolarHBondContact N-O 2.79Å; F426-I472 PolarHBondContact O-N 2.83Å; F426-V474 HydrophobicContact CD2-CB 3.96Å; F426-V474 HydrophobicContact CD2-CG2 3.71Å; F426-V474 HydrophobicContact CE2-CB 4.04Å; F426-V474 HydrophobicContact CE2-CG2 4.24Å
427T90.2Very high92Very high75 Ų7565.2 Ų65.246%0.4635%0.351SS..EExtended strand (participates in β ladder)trans-136.8165.2178.3620000111.2P470T427-P470 VanDerWaalsContact CA-O 3.29Å; T427-P470 WeakPolarHBondContact CA-O 3.31Å; T427-P470 WeakPolarHBondContact CB-O 3.46Å; T427-P470 WeakPolarHBondContact CG2-O 3.33Å
428T89.2Confident91.8Very high5 Ų563 Ų633%0.03134%0.337CS..  trans-66.6146.3175.450.90000111.8Q433 V436 I462 G468 P470T428-Q433 HydrophobicContact CG2-CB 4.07Å; T428-Q433 HydrophobicContact CG2-CG 4.28Å; T428-V436 HydrophobicContact CG2-CG2 3.84Å; T428-I462 HydrophobicContact CG2-CD1 4.17Å; T428-I462 HydrophobicContact CG2-CG2 4.38Å; T428-G468 PolarHBondContact O-N 2.78Å; T428-P470 HydrophobicContact CG2-CB 3.92Å; T428-P470 HydrophobicContact CG2-CG 3.88Å; T428-P470 WeakPolarHBondContact OG1-CD 3.42Å
429Y85.7Confident91.9Very high154 Ų15463.9 Ų63.960%0.60434%0.341SS*.SBendtrans-84.5-31.7-177.9179.5-110.7000112.6A404 R467A404-Y429 HydrophobicContact CB-CD2 3.6Å; A404-Y429 HydrophobicContact CB-CE2 3.5Å; Y429-R467 WeakPolarHBondContact O-CD 3.4Å
430S88.3Confident91.8Very high57 Ų5759.7 Ų59.740%0.39931%0.314SS..SBendtrans-124.2152.9-177-63.20000112.3Q433S430-Q433 VanDerWaalsContact O-CB 3.29Å; S430-Q433 WeakPolarHBondContact O-CB 3.26Å; S430-Q433 PolarHBondContact O-N 3.48Å
431D90.7Very high91.4Very high96 Ų9659 Ų5951%0.51331%0.309SS..THydrogen-bonded Turntrans-62.7139.5176.1-64.5-21.2000110.1Q433 R467D431-Q433 PolarHBondContact O-N 3.46Å; D431-Q433 VanDerWaalsContact O-N 3.1Å; D431-R467 WeakPolarHBondContact OD1-CB 3.39Å; D431-R467 WeakPolarHBondContact OD1-CG 3.3Å; D431-R467 PolarHBondContact OD1-N 3.2Å
432N91.3Very high90.9Very high96 Ų9653.9 Ų53.951%0.51329%0.286SS..THydrogen-bonded Turntrans55.327178.7-52-54.2000114P434 P464 A465N432-P434 WeakPolarHBondContact O-CD 3.49Å; N432-P464 HydrophobicContact CB-CB 4.04Å; N432-P464 VanDerWaalsContact OD1-CB 3.29Å; N432-P464 WeakPolarHBondContact OD1-CB 3.32Å; N432-A465 PolarHBondContact N-O 2.91Å; N432-A465 PolarHBondContact OD1-N 3.44Å
433Q88.8Confident90.2Very high41 Ų4150.5 Ų50.519%0.19227%0.273CS..  trans-61.7114.9177176.8173.6-12.600109.9T428 S430 D431 G435T428-Q433 HydrophobicContact CG2-CB 4.07Å; T428-Q433 HydrophobicContact CG2-CG 4.28Å; S430-Q433 VanDerWaalsContact O-CB 3.29Å; S430-Q433 WeakPolarHBondContact O-CB 3.26Å; S430-Q433 PolarHBondContact O-N 3.48Å; D431-Q433 PolarHBondContact O-N 3.46Å; D431-Q433 VanDerWaalsContact O-N 3.1Å; Q433-G435 VanDerWaalsContact C-N 3.27Å; Q433-G435 WeakPolarHBondContact CG-O 3.18Å; Q433-G435 PolarHBondContact NE2-O 3.14Å; Q433-G435 PolarHBondContact O-N 2.95Å
434P89.5Confident89.6Confident94 Ų9451.9 Ų51.961%0.6128%0.275SS*.  trans-75.5-15.3-171.530.5-36.3000113.6N432 G461 I462N432-P434 WeakPolarHBondContact O-CD 3.49Å; P434-G461 PolarHBondContact O-N 2.79Å; P434-I462 PolarHBondContact O-N 2.88Å
435G88.4Confident89Confident7 Ų755.6 Ų55.67%0.07229%0.286CS..EExtended strand (participates in β ladder)trans-164157.8179.500000112.7Q433 L459Q433-G435 VanDerWaalsContact C-N 3.27Å; Q433-G435 WeakPolarHBondContact CG-O 3.18Å; Q433-G435 PolarHBondContact NE2-O 3.14Å; Q433-G435 PolarHBondContact O-N 2.95Å; G435-L459 CarbonylContact C-O 3.52Å; G435-L459 WeakPolarHBondContact CA-O 3.2Å
436V89.6Confident88.4Confident20 Ų2056.3 Ų56.312%0.12130%0.298CS..EExtended strand (participates in β ladder)trans-114.4122.5178.4174.70000109.4T428 I438 E458 L459 I462 I472T428-V436 HydrophobicContact CG2-CG2 3.84Å; V436-I438 HydrophobicContact CG1-CD1 3.62Å; V436-I438 HydrophobicContact CG1-CG1 4.3Å; V436-I438 PolarHBondContact O-N 3.13Å; V436-E458 WeakPolarHBondContact O-CA 3.38Å; V436-L459 PolarHBondContact N-O 3.22Å; V436-L459 PolarHBondContact O-N 3.08Å; V436-I462 HydrophobicContact CB-CD1 4.23Å; V436-I462 HydrophobicContact CG2-CD1 3.57Å; V436-I472 HydrophobicContact CG2-CG1 4.27Å
437L91Very high87.8Confident86 Ų8657.7 Ų57.745%0.4531%0.306SS..EExtended strand (participates in β ladder)trans-80.6110.6169.3-179.168.8000109Q439 K456L437-Q439 HydrophobicContact CD2-CG 3.94Å; L437-Q439 HydrophobicContact CG-CG 3.88Å; L437-K456 HydrophobicContact CD1-CB 4.36Å; L437-K456 HydrophobicContact CD1-CD 4.41Å
438I91.8Very high87.6Confident8 Ų854.3 Ų54.34%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-90.4118.8172.9-56.1-65.2000107.8V436 V440 K456 F457 V474 A488V436-I438 HydrophobicContact CG1-CD1 3.62Å; V436-I438 HydrophobicContact CG1-CG1 4.3Å; V436-I438 PolarHBondContact O-N 3.13Å; I438-V440 HydrophobicContact CG2-CG2 4.1Å; I438-K456 CarbonylContact O-C 3.59Å; I438-K456 WeakPolarHBondContact O-CA 3.33Å; I438-K456 WeakPolarHBondContact O-CB 3.23Å; I438-F457 HydrophobicContact CB-CD1 3.84Å; I438-F457 HydrophobicContact CB-CE1 3.47Å; I438-F457 VanDerWaalsContact CB-CE1 3.47Å; I438-F457 HydrophobicContact CB-CE2 4.33Å; I438-F457 HydrophobicContact CB-CG 4.45Å; I438-F457 HydrophobicContact CB-CZ 3.76Å; I438-F457 HydrophobicContact CG1-CE1 4.19Å; I438-F457 HydrophobicContact CG1-CE2 4.25Å; I438-F457 HydrophobicContact CG1-CZ 3.94Å; I438-F457 HydrophobicContact CG2-CD1 4.12Å; I438-F457 HydrophobicContact CG2-CE1 3.38Å; I438-F457 HydrophobicContact CG2-CZ 3.81Å; I438-F457 PolarHBondContact N-O 3.04Å; I438-F457 PolarHBondContact O-N 2.86Å; I438-V474 HydrophobicContact CD1-CG2 3.95Å; I438-A488 HydrophobicContact CG1-CB 4.08Å
439Q92.6Very high87.3Confident34 Ų3461.8 Ų61.816%0.15932%0.318CS..EExtended strand (participates in β ladder)trans-114.1124.6175.4-58.3-172.59800108.2L401 E402 L437 F441 L453 K456L401-Q439 CarbonylContact C-O 3.58Å; L401-Q439 WeakPolarHBondContact CA-O 3.37Å; L401-Q439 WeakPolarHBondContact CB-O 3.5Å; E402-Q439 HydrophobicContact CB-CB 4.23Å; E402-Q439 PolarHBondContact N-O 3.25Å; E402-Q439 PolarHBondContact OE1-NE2 2.91Å; L437-Q439 HydrophobicContact CD2-CG 3.94Å; L437-Q439 HydrophobicContact CG-CG 3.88Å; Q439-F441 HydrophobicContact CB-CD2 4.43Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.05Å; Q439-F441 WeakPolarHBondContact O-CD2 3.29Å; Q439-L453 HydrophobicContact CB-CD1 4.32Å; Q439-K456 HydrophobicContact CB-CB 4.29Å; Q439-K456 HydrophobicContact CG-CB 3.9Å; Q439-K456 HydrophobicContact CG-CD 4.4Å
440V92.2Very high87Confident0 Ų058.5 Ų58.50%031%0.311CS..EExtended strand (participates in β ladder)trans-108.4133.2-172.8179.60000109.9G400 I438 L453 L454 G455 F476 L484 V486 I501G400-V440 WeakPolarHBondContact O-CA 3.45Å; I438-V440 HydrophobicContact CG2-CG2 4.1Å; V440-L453 WeakPolarHBondContact O-CD1 3.3Å; V440-L454 HydrophobicContact CG1-CB 4.45Å; V440-L454 HydrophobicContact CG1-CD1 4.39Å; V440-L454 PolarHBondContact O-N 3.06Å; V440-G455 PolarHBondContact N-O 2.93Å; V440-G455 PolarHBondContact O-N 2.71Å; V440-F476 HydrophobicContact CB-CZ 4.48Å; V440-F476 HydrophobicContact CG1-CE1 3.71Å; V440-F476 HydrophobicContact CG1-CZ 3.8Å; V440-F476 HydrophobicContact CG2-CZ 4.05Å; V440-L484 HydrophobicContact CG1-CD2 3.86Å; V440-V486 HydrophobicContact CG1-CG2 4.22Å; V440-V486 HydrophobicContact CG2-CB 4.24Å; V440-V486 HydrophobicContact CG2-CG1 3.98Å; V440-V486 HydrophobicContact CG2-CG2 4.06Å; V440-I501 HydrophobicContact CB-CD1 3.65Å; V440-I501 HydrophobicContact CB-CG1 4.19Å; V440-I501 HydrophobicContact CG1-CD1 4.11Å; V440-I501 HydrophobicContact CG1-CG1 4.09Å; V440-I501 HydrophobicContact CG2-CD1 3.48Å; V440-I501 VanDerWaalsContact CG2-CD1 3.48Å; V440-I501 HydrophobicContact CG2-CG1 4.15Å
441F87.6Confident86.6Confident12 Ų1256.9 Ų56.95%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-129.9155.8-174.6-62.6-99.3000111.2G400 E402 M408 Q439 T448 N451 N452 L453G400-F441 PolarHBondContact N-O 2.82Å; G400-F441 VanDerWaalsContact N-O 3.08Å; G400-F441 PolarHBondContact O-N 2.81Å; E402-F441 HydrophobicContact CB-CE2 3.82Å; M408-F441 HydrophobicContact CE-CB 3.88Å; M408-F441 WeakPolarHBondContact CE-O 3.16Å; M408-F441 HydrophobicContact SD-CB 3.78Å; M408-F441 HydrophobicContact SD-CG 4.49Å; Q439-F441 HydrophobicContact CB-CD2 4.43Å; Q439-F441 HydrophobicContact CB-CE2 3.48Å; Q439-F441 VanDerWaalsContact CB-CE2 3.48Å; Q439-F441 HydrophobicContact CB-CZ 4.05Å; Q439-F441 WeakPolarHBondContact O-CD2 3.29Å; F441-T448 HydrophobicContact CD1-CG2 4.44Å; F441-T448 HydrophobicContact CD2-CG2 3.73Å; F441-T448 HydrophobicContact CE1-CG2 4.44Å; F441-T448 WeakPolarHBondContact CE1-O 3.48Å; F441-T448 HydrophobicContact CE2-CG2 3.74Å; F441-T448 HydrophobicContact CG-CG2 4.12Å; F441-T448 HydrophobicContact CZ-CG2 4.11Å; F441-N451 HydrophobicContact CB-CB 4.28Å; F441-N451 HydrophobicContact CD1-CB 4.3Å; F441-N452 CarbonylContact C-O 3.49Å; F441-N452 WeakPolarHBondContact CA-O 3.44Å; F441-N452 WeakPolarHBondContact CB-O 3.28Å; F441-L453 HydrophobicContact CD1-CB 4.03Å; F441-L453 HydrophobicContact CD1-CD1 4.18Å; F441-L453 HydrophobicContact CD2-CD1 4.45Å; F441-L453 HydrophobicContact CE1-CB 3.77Å; F441-L453 HydrophobicContact CE1-CD1 3.67Å; F441-L453 HydrophobicContact CE1-CG 4.31Å; F441-L453 HydrophobicContact CE2-CD1 3.96Å; F441-L453 HydrophobicContact CZ-CD1 3.54Å
442E86Confident86.2Confident21 Ų2155.3 Ų55.310%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-115.4139.516365.7-178-178.800110.1N149 L397 S398 L399 N451 N452 L454N149-E442 WeakPolarHBondContact CB-OE1 3.38Å; N149-E442 WeakPolarHBondContact CB-OE2 3.32Å; N149-E442 PolarHBondContact ND2-OE1 3.04Å; N149-E442 VanDerWaalsContact ND2-OE1 3.15Å; L397-E442 HydrophobicContact CD1-CG 4.44Å; S398-E442 WeakPolarHBondContact O-CA 3.48Å; L399-E442 HydrophobicContact CD2-CB 3.68Å; E442-N451 WeakPolarHBondContact O-CB 3.26Å; E442-N452 HydrophobicContact CG-CB 3.68Å; E442-N452 PolarHBondContact N-O 3.37Å; E442-N452 PolarHBondContact O-N 3.36Å; E442-N452 PolarHBondContact OE1-ND2 3.45Å; E442-L454 HydrophobicContact CB-CD1 3.89Å; E442-L454 HydrophobicContact CB-CD2 4.39Å; E442-L454 HydrophobicContact CB-CG 4.12Å; E442-L454 HydrophobicContact CG-CD1 4.27Å; E442-L454 HydrophobicContact CG-CD2 3.84Å; E442-L454 HydrophobicContact CG-CG 3.99Å
443G81.7Confident85.9Confident10 Ų1053.4 Ų53.410%0.10328%0.279CS..SBendtrans140.2173.8173.100000114.5S398 N451S398-G443 PolarHBondContact O-N 3.33Å; G443-N451 WeakPolarHBondContact CA-OD1 3.43Å
444E84.1Confident85.6Confident96 Ų9651.8 Ų51.845%0.44927%0.271SS..SBendtrans-110.15.7-171.1-55.1-56.1136.200113.2L397 S398 R414 N451L397-E444 HydrophobicContact CD2-CG 4.35Å; S398-E444 WeakPolarHBondContact CA-OE1 3.26Å; S398-E444 WeakPolarHBondContact CB-OE1 3.19Å; S398-E444 PolarHBondContact N-OE1 2.98Å; S398-E444 VanDerWaalsContact OG-CD 3.27Å; S398-E444 PolarHBondContact OG-OE1 2.84Å; S398-E444 PolarHBondContact OG-OE2 3.5Å; R414-E444 VanDerWaalsContact CD-CD 3.46Å; R414-E444 WeakPolarHBondContact CD-OE2 3.3Å; E444-N451 PolarHBondContact N-OD1 3.1Å
445R81.2Confident85.5Confident159 Ų15947.8 Ų47.860%0.625%0.247SC*.  trans-84.4147.6179.9-50.7-69.5-75.7-176.2-6.1110M408 L447 D450 N451M408-R445 WeakPolarHBondContact CB-O 3.46Å; R445-L447 VanDerWaalsContact C-N 3.31Å; R445-L447 PolarHBondContact O-N 3.34Å; R445-D450 HydrophobicContact CB-CB 3.79Å; R445-D450 HydrophobicContact CG-CB 3.95Å; R445-D450 WeakPolarHBondContact CG-O 3.48Å; R445-N451 WeakPolarHBondContact CA-OD1 3.39Å; R445-N451 WeakPolarHBondContact CB-OD1 3.36Å; R445-N451 WeakPolarHBondContact CG-OD1 3.49Å; R445-N451 PolarHBondContact N-OD1 3.05Å; R445-N451 PolarHBondContact O-ND2 2.84Å
446A83.2Confident85.5Confident77 Ų7752.7 Ų52.764%0.63627%0.267SS*.SBendtrans-67.4-30.1-177.300000113.5M408M408-A446 PolarHBondContact N-O 3.23Å
447L80.4Confident85.5Confident63 Ų6352.6 Ų52.633%0.3327%0.265SS..BIsolated β-bridgetrans-107.9137.2-180-59.5176.6000110.2G406 V407 R445 K449 D450 N451G406-L447 CarbonylContact O-C 3.57Å; G406-L447 VanDerWaalsContact O-CA 3.3Å; G406-L447 WeakPolarHBondContact O-CA 3.43Å; V407-L447 HydrophobicContact CG2-CD2 4.28Å; R445-L447 VanDerWaalsContact C-N 3.31Å; R445-L447 PolarHBondContact O-N 3.34Å; L447-K449 VanDerWaalsContact C-N 3.27Å; L447-K449 HydrophobicContact CB-CG 4.04Å; L447-K449 PolarHBondContact O-N 3.06Å; L447-D450 PolarHBondContact O-N 3.24Å; L447-D450 VanDerWaalsContact O-N 3.12Å; L447-N451 PolarHBondContact O-ND2 2.87Å
448T86.1Confident85.5Confident5 Ų553.7 Ų53.73%0.03127%0.267CS..G310 helixtrans-62.7-31.9-177.850.70000113.4E402 G406 M408 F441 D450 N451E402-T448 HydrophobicContact CB-CG2 3.77Å; E402-T448 HydrophobicContact CG-CG2 3.85Å; E402-T448 WeakPolarHBondContact OE2-CB 3.28Å; E402-T448 PolarHBondContact OE2-OG1 3.24Å; G406-T448 PolarHBondContact O-N 3.35Å; G406-T448 PolarHBondContact O-OG1 3.25Å; G406-T448 VanDerWaalsContact O-OG1 3.11Å; M408-T448 HydrophobicContact CB-CG2 4.05Å; M408-T448 HydrophobicContact SD-CG2 4.29Å; F441-T448 HydrophobicContact CD1-CG2 4.44Å; F441-T448 HydrophobicContact CD2-CG2 3.73Å; F441-T448 HydrophobicContact CE1-CG2 4.44Å; F441-T448 WeakPolarHBondContact CE1-O 3.48Å; F441-T448 HydrophobicContact CE2-CG2 3.74Å; F441-T448 HydrophobicContact CG-CG2 4.12Å; F441-T448 HydrophobicContact CZ-CG2 4.11Å; T448-D450 PolarHBondContact O-N 3.17Å; T448-D450 VanDerWaalsContact O-N 3.14Å; T448-N451 PolarHBondContact O-N 3.1Å
449K83Confident85.4Confident162 Ų16253.4 Ų53.470%0.70427%0.266SS*.G310 helixtrans-58.5-23.217569.2173.2-170.4175.70114.3L447L447-K449 VanDerWaalsContact C-N 3.27Å; L447-K449 HydrophobicContact CB-CG 4.04Å; L447-K449 PolarHBondContact O-N 3.06Å
450D79.4Confident85.2Confident84 Ų8455.2 Ų55.245%0.44928%0.282SS..G310 helixtrans-101.8-0.8-178.9-56.5-43.4000111.6R445 L447 T448R445-D450 HydrophobicContact CB-CB 3.79Å; R445-D450 HydrophobicContact CG-CB 3.95Å; R445-D450 WeakPolarHBondContact CG-O 3.48Å; L447-D450 PolarHBondContact O-N 3.24Å; L447-D450 VanDerWaalsContact O-N 3.12Å; T448-D450 PolarHBondContact O-N 3.17Å; T448-D450 VanDerWaalsContact O-N 3.14Å
451N80Confident84.9Confident23 Ų2356.9 Ų56.912%0.12330%0.299CS..SBendtrans-104.7170.6176.1-72.6-38.2000110.6M408 F441 E442 G443 E444 R445 L447 T448M408-N451 WeakPolarHBondContact CB-ND2 3.5Å; M408-N451 WeakPolarHBondContact CG-ND2 3.32Å; F441-N451 HydrophobicContact CB-CB 4.28Å; F441-N451 HydrophobicContact CD1-CB 4.3Å; E442-N451 WeakPolarHBondContact O-CB 3.26Å; G443-N451 WeakPolarHBondContact CA-OD1 3.43Å; E444-N451 PolarHBondContact N-OD1 3.1Å; R445-N451 WeakPolarHBondContact CA-OD1 3.39Å; R445-N451 WeakPolarHBondContact CB-OD1 3.36Å; R445-N451 WeakPolarHBondContact CG-OD1 3.49Å; R445-N451 PolarHBondContact N-OD1 3.05Å; R445-N451 PolarHBondContact O-ND2 2.84Å; L447-N451 PolarHBondContact O-ND2 2.87Å; T448-N451 PolarHBondContact O-N 3.1Å
452N81.4Confident84.9Confident63 Ų6356.7 Ų56.734%0.33730%0.299SS..EExtended strand (participates in β ladder)trans-87.3127.2177.5-175.636.2000110.6F441 E442F441-N452 CarbonylContact C-O 3.49Å; F441-N452 WeakPolarHBondContact CA-O 3.44Å; F441-N452 WeakPolarHBondContact CB-O 3.28Å; E442-N452 HydrophobicContact CG-CB 3.68Å; E442-N452 PolarHBondContact N-O 3.37Å; E442-N452 PolarHBondContact O-N 3.36Å; E442-N452 PolarHBondContact OE1-ND2 3.45Å
453L86Confident85Confident57 Ų5758.7 Ų58.730%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-79.9118.7175.2176.170.9000109.3Q439 V440 F441Q439-L453 HydrophobicContact CB-CD1 4.32Å; V440-L453 WeakPolarHBondContact O-CD1 3.3Å; F441-L453 HydrophobicContact CD1-CB 4.03Å; F441-L453 HydrophobicContact CD1-CD1 4.18Å; F441-L453 HydrophobicContact CD2-CD1 4.45Å; F441-L453 HydrophobicContact CE1-CB 3.77Å; F441-L453 HydrophobicContact CE1-CD1 3.67Å; F441-L453 HydrophobicContact CE1-CG 4.31Å; F441-L453 HydrophobicContact CE2-CD1 3.96Å; F441-L453 HydrophobicContact CZ-CD1 3.54Å
454L82.9Confident85.5Confident6 Ų663.2 Ų63.23%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-89.1-38.2177.8-67.4-179.5000112.7N149 L399 V440 E442 L484 I501N149-L454 HydrophobicContact CB-CD2 4.34Å; L399-L454 HydrophobicContact CD2-CD1 3.56Å; V440-L454 HydrophobicContact CG1-CB 4.45Å; V440-L454 HydrophobicContact CG1-CD1 4.39Å; V440-L454 PolarHBondContact O-N 3.06Å; E442-L454 HydrophobicContact CB-CD1 3.89Å; E442-L454 HydrophobicContact CB-CD2 4.39Å; E442-L454 HydrophobicContact CB-CG 4.12Å; E442-L454 HydrophobicContact CG-CD1 4.27Å; E442-L454 HydrophobicContact CG-CD2 3.84Å; E442-L454 HydrophobicContact CG-CG 3.99Å; L454-L484 HydrophobicContact CD1-CD2 4.09Å; L454-I501 HydrophobicContact CB-CG2 3.59Å
455G86Confident85.8Confident10 Ų1059.6 Ų59.610%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-179.3170.4-176.500000112.9V440V440-G455 PolarHBondContact N-O 2.93Å; V440-G455 PolarHBondContact O-N 2.71Å
456K89.8Confident86.4Confident111 Ų11155.9 Ų55.948%0.48332%0.324SS..EExtended strand (participates in β ladder)trans-153.8150.1175.664.3-177.2-176.8177.40112.3L437 I438 Q439 I499L437-K456 HydrophobicContact CD1-CB 4.36Å; L437-K456 HydrophobicContact CD1-CD 4.41Å; I438-K456 CarbonylContact O-C 3.59Å; I438-K456 WeakPolarHBondContact O-CA 3.33Å; I438-K456 WeakPolarHBondContact O-CB 3.23Å; Q439-K456 HydrophobicContact CB-CB 4.29Å; Q439-K456 HydrophobicContact CG-CB 3.9Å; Q439-K456 HydrophobicContact CG-CD 4.4Å; K456-I499 WeakPolarHBondContact O-CD1 3.42Å
457F89.8Confident86.6Confident18 Ų1860 Ų608%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-151.6158.5177.464.8-70.3000110.8I438 V486 A488 N497 I499I438-F457 HydrophobicContact CB-CD1 3.84Å; I438-F457 HydrophobicContact CB-CE1 3.47Å; I438-F457 VanDerWaalsContact CB-CE1 3.47Å; I438-F457 HydrophobicContact CB-CE2 4.33Å; I438-F457 HydrophobicContact CB-CG 4.45Å; I438-F457 HydrophobicContact CB-CZ 3.76Å; I438-F457 HydrophobicContact CG1-CE1 4.19Å; I438-F457 HydrophobicContact CG1-CE2 4.25Å; I438-F457 HydrophobicContact CG1-CZ 3.94Å; I438-F457 HydrophobicContact CG2-CD1 4.12Å; I438-F457 HydrophobicContact CG2-CE1 3.38Å; I438-F457 HydrophobicContact CG2-CZ 3.81Å; I438-F457 PolarHBondContact N-O 3.04Å; I438-F457 PolarHBondContact O-N 2.86Å; F457-V486 HydrophobicContact CE1-CB 4.39Å; F457-V486 HydrophobicContact CE1-CG1 3.9Å; F457-V486 HydrophobicContact CZ-CG1 4.07Å; F457-A488 HydrophobicContact CE2-CB 3.7Å; F457-A488 HydrophobicContact CZ-CB 3.81Å; F457-N497 HydrophobicContact CD2-CB 4.38Å; F457-I499 HydrophobicContact CB-CB 4.04Å; F457-I499 HydrophobicContact CB-CD1 3.71Å; F457-I499 HydrophobicContact CB-CG1 4.45Å; F457-I499 HydrophobicContact CB-CG2 4.36Å; F457-I499 HydrophobicContact CD1-CB 3.71Å; F457-I499 HydrophobicContact CD1-CD1 4.25Å; F457-I499 HydrophobicContact CD1-CG2 3.08Å; F457-I499 HydrophobicContact CD2-CB 4.35Å; F457-I499 HydrophobicContact CD2-CG2 4.36Å; F457-I499 HydrophobicContact CE1-CB 4.16Å; F457-I499 HydrophobicContact CE1-CG2 3.19Å; F457-I499 HydrophobicContact CE2-CG2 4.44Å; F457-I499 HydrophobicContact CG-CB 3.79Å; F457-I499 HydrophobicContact CG-CD1 4.29Å; F457-I499 HydrophobicContact CG-CG2 3.71Å; F457-I499 HydrophobicContact CZ-CG2 3.9Å
458E90Very high87Confident108 Ų10859 Ų5951%0.50533%0.328SS..EExtended strand (participates in β ladder)trans-109.9124.9-179.7-171.3178.817800111V436 N497V436-E458 WeakPolarHBondContact O-CA 3.38Å; E458-N497 PolarHBondContact O-ND2 3.18Å
459L89.2Confident87.3Confident3 Ų362.9 Ų62.92%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-88.8101.2165.4176.764.7000108.3G435 V436 I472 A488 D490 N497G435-L459 CarbonylContact C-O 3.52Å; G435-L459 WeakPolarHBondContact CA-O 3.2Å; V436-L459 PolarHBondContact N-O 3.22Å; V436-L459 PolarHBondContact O-N 3.08Å; L459-I472 HydrophobicContact CD2-CD1 3.97Å; L459-I472 HydrophobicContact CD2-CG2 3.66Å; L459-A488 HydrophobicContact CD2-CB 4.16Å; L459-D490 HydrophobicContact CD2-CB 4.37Å; L459-N497 HydrophobicContact CB-CB 4.48Å; L459-N497 HydrophobicContact CD1-CB 3.73Å
460S89.7Confident87.6Confident72 Ų7255.8 Ų55.850%0.50332%0.322SS..EExtended strand (participates in β ladder)trans-101.4166.2-177.664.10000113.2
461G86Confident88.3Confident34 Ų3456.5 Ų56.535%0.35132%0.323SS..  trans8127.5177.200000113.9P434 K495P434-G461 PolarHBondContact O-N 2.79Å; G461-K495 PolarHBondContact O-NZ 3.3Å
462I87.1Confident88.9Confident8 Ų855.5 Ų55.54%0.04132%0.317CS..  trans-71.6126.1171.4-59.7173.6000108T428 P434 V436 P470 I472T428-I462 HydrophobicContact CG2-CD1 4.17Å; T428-I462 HydrophobicContact CG2-CG2 4.38Å; P434-I462 PolarHBondContact O-N 2.88Å; V436-I462 HydrophobicContact CB-CD1 4.23Å; V436-I462 HydrophobicContact CG2-CD1 3.57Å; I462-P470 HydrophobicContact CG2-CB 3.78Å; I462-P470 HydrophobicContact CG2-CG 3.82Å; I462-I472 HydrophobicContact CD1-CD1 3.89Å; I462-I472 HydrophobicContact CG1-CD1 4.48Å
463P88.8Confident89.5Confident63 Ų6355.1 Ų55.141%0.40931%0.314SS..  trans-58.9144.4178.2-24.133.9000112.1A465 T493P463-A465 PolarHBondContact O-N 3.22Å; P463-A465 VanDerWaalsContact O-N 3.07Å; P463-T493 HydrophobicContact CG-CG2 3.38Å
464P91Very high89.9Confident106 Ų10652.4 Ų52.469%0.68830%0.299SS*.SBendtrans-57.5115.4174.6-23.933.9000111.1N432N432-P464 HydrophobicContact CB-CB 4.04Å; N432-P464 VanDerWaalsContact OD1-CB 3.29Å; N432-P464 WeakPolarHBondContact OD1-CB 3.32Å
465A91.3Very high90.5Very high19 Ų1952.7 Ų52.716%0.15730%0.301CS..  trans-148157.7177.200000110N432 P463 T469 P470N432-A465 PolarHBondContact N-O 2.91Å; N432-A465 PolarHBondContact OD1-N 3.44Å; P463-A465 PolarHBondContact O-N 3.22Å; P463-A465 VanDerWaalsContact O-N 3.07Å; A465-T469 HydrophobicContact CB-CG2 4.3Å; A465-P470 HydrophobicContact CB-CG 4.04Å
466P92.5Very high90.9Very high81 Ų8152.2 Ų52.253%0.52630%0.296SS..  trans-55.7144.3171.4-22.433.3000111.1T469 P470P466-T469 WeakPolarHBondContact O-CB 3.34Å; P466-T469 PolarHBondContact O-N 2.98Å; P466-T469 PolarHBondContact O-OG1 2.99Å; P466-P470 WeakPolarHBondContact O-CD 3.4Å
467R89.2Confident91.1Very high165 Ų16549.7 Ų49.762%0.62329%0.288SS*.THydrogen-bonded Turntrans-50.5145.3174.169.4-175.5178.5168.3-1.2110.7Y429 D431 T469Y429-R467 WeakPolarHBondContact O-CD 3.4Å; D431-R467 WeakPolarHBondContact OD1-CB 3.39Å; D431-R467 WeakPolarHBondContact OD1-CG 3.3Å; D431-R467 PolarHBondContact OD1-N 3.2Å; R467-T469 PolarHBondContact O-N 3.03Å
468G88.1Confident91.2Very high42 Ų4249.1 Ų49.143%0.43329%0.286SS..THydrogen-bonded Turntrans81.6-14.5-174.200000115.2T428T428-G468 PolarHBondContact O-N 2.78Å
469T91.7Very high91.2Very high86 Ų8646.1 Ų46.153%0.52827%0.273SS..  trans-82-49.7179-50.90000112.6A465 P466 R467 Q471A465-T469 HydrophobicContact CB-CG2 4.3Å; P466-T469 WeakPolarHBondContact O-CB 3.34Å; P466-T469 PolarHBondContact O-N 2.98Å; P466-T469 PolarHBondContact O-OG1 2.99Å; R467-T469 PolarHBondContact O-N 3.03Å; T469-Q471 PolarHBondContact O-N 3.34Å
470P90.7Very high91.1Very high13 Ų1348.1 Ų48.18%0.08429%0.291CS..SBendtrans-62.9130.4172.8-21.534.7000111.1T427 T428 I462 A465 P466 I472T427-P470 VanDerWaalsContact CA-O 3.29Å; T427-P470 WeakPolarHBondContact CA-O 3.31Å; T427-P470 WeakPolarHBondContact CB-O 3.46Å; T427-P470 WeakPolarHBondContact CG2-O 3.33Å; T428-P470 HydrophobicContact CG2-CB 3.92Å; T428-P470 HydrophobicContact CG2-CG 3.88Å; T428-P470 WeakPolarHBondContact OG1-CD 3.42Å; I462-P470 HydrophobicContact CG2-CB 3.78Å; I462-P470 HydrophobicContact CG2-CG 3.82Å; A465-P470 HydrophobicContact CB-CG 4.04Å; P466-P470 WeakPolarHBondContact O-CD 3.4Å; P470-I472 HydrophobicContact CB-CD1 4.41Å
471Q92.8Very high90.9Very high99 Ų9945.8 Ų45.846%0.46327%0.272SS..EExtended strand (participates in β ladder)trans-107.4112.6178.6-69-173.417.900109.6T425 T469 K491T425-Q471 HydrophobicContact CG2-CB 3.81Å; T425-Q471 HydrophobicContact CG2-CG 4.26Å; T469-Q471 PolarHBondContact O-N 3.34Å; Q471-K491 HydrophobicContact CB-CB 4.2Å; Q471-K491 HydrophobicContact CB-CD 4.16Å; Q471-K491 HydrophobicContact CB-CG 4.26Å; Q471-K491 PolarHBondContact O-N 2.79Å
472I92.2Very high90.9Very high1 Ų144.5 Ų44.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-104.7104.2-177.3-48.4-53.2000108.5T425 F426 V436 L459 I462 P470 V474 A488 V489 D490T425-I472 CarbonylContact C-O 3.6Å; T425-I472 WeakPolarHBondContact CA-O 3.36Å; F426-I472 PolarHBondContact N-O 2.79Å; F426-I472 PolarHBondContact O-N 2.83Å; V436-I472 HydrophobicContact CG2-CG1 4.27Å; L459-I472 HydrophobicContact CD2-CD1 3.97Å; L459-I472 HydrophobicContact CD2-CG2 3.66Å; I462-I472 HydrophobicContact CD1-CD1 3.89Å; I462-I472 HydrophobicContact CG1-CD1 4.48Å; P470-I472 HydrophobicContact CB-CD1 4.41Å; I472-V474 HydrophobicContact CG2-CG2 4.18Å; I472-V474 PolarHBondContact O-N 3.11Å; I472-A488 HydrophobicContact CG2-CB 4.18Å; I472-V489 CarbonylContact C-O 3.32Å; I472-V489 WeakPolarHBondContact CA-O 3.31Å; I472-D490 HydrophobicContact CD1-CB 3.93Å
473E94.5Very high90.8Very high56 Ų5644.7 Ų44.726%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-80.1114.1175.6-170.6168.19400109.6T423 A488 V489 K491T423-E473 HydrophobicContact CG2-CG 3.23Å; E473-A488 CarbonylContact O-C 3.54Å; E473-A488 VanDerWaalsContact O-CA 3.29Å; E473-A488 WeakPolarHBondContact O-CA 3.48Å; E473-V489 PolarHBondContact N-O 2.88Å; E473-V489 PolarHBondContact O-N 2.9Å; E473-K491 HydrophobicContact CB-CD 4.26Å; E473-K491 HydrophobicContact CB-CG 4.12Å; E473-K491 IonicContact OE2-NZ 2.92Å; E473-K491 PolarHBondContact OE2-NZ 3.35Å
474V94.3Very high90.7Very high0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-107129.6177.4-175.50000109.2L401 T423 Q424 F426 I438 I472 F476 V486 S487 A488L401-V474 HydrophobicContact CD2-CB 3.99Å; L401-V474 HydrophobicContact CD2-CG1 3.64Å; L401-V474 HydrophobicContact CD2-CG2 4.06Å; T423-V474 WeakPolarHBondContact CA-O 3.41Å; Q424-V474 PolarHBondContact N-O 3.23Å; Q424-V474 PolarHBondContact O-N 3.18Å; F426-V474 HydrophobicContact CD2-CB 3.96Å; F426-V474 HydrophobicContact CD2-CG2 3.71Å; F426-V474 HydrophobicContact CE2-CB 4.04Å; F426-V474 HydrophobicContact CE2-CG2 4.24Å; I438-V474 HydrophobicContact CD1-CG2 3.95Å; I472-V474 HydrophobicContact CG2-CG2 4.18Å; I472-V474 PolarHBondContact O-N 3.11Å; V474-F476 HydrophobicContact CG1-CD2 4.04Å; V474-F476 HydrophobicContact CG1-CE2 3.74Å; V474-V486 HydrophobicContact CG1-CG1 3.9Å; V474-S487 CarbonylContact C-O 3.52Å; V474-S487 VanDerWaalsContact CA-O 3.28Å; V474-S487 WeakPolarHBondContact CA-O 3.39Å; V474-A488 HydrophobicContact CG2-CB 4.18Å
475T95.5Very high90.6Very high11 Ų1139 Ų397%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-122.1125.7-177.8-64.40000110.2K421 Q422 T423 V486 S487K421-T475 HydrophobicContact CD-CG2 4.18Å; K421-T475 HydrophobicContact CG-CG2 3.77Å; Q422-T475 CarbonylContact O-C 3.6Å; Q422-T475 WeakPolarHBondContact O-CA 3.14Å; T423-T475 WeakPolarHBondContact CG2-OG1 3.48Å; T423-T475 WeakPolarHBondContact OG1-CG2 3.33Å; T423-T475 PolarHBondContact OG1-OG1 2.9Å; T475-V486 CarbonylContact O-C 3.38Å; T475-V486 VanDerWaalsContact O-CA 3.29Å; T475-V486 WeakPolarHBondContact O-CA 3.42Å; T475-S487 PolarHBondContact N-O 2.81Å; T475-S487 PolarHBondContact O-N 2.91Å
476F95.2Very high90.6Very high0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-102.9126.2171.1-79.4-130.6000107.9L399 G400 L401 L411 I412 K421 Q422 V440 V474 L484 V486L399-F476 HydrophobicContact CB-CD1 3.97Å; L399-F476 HydrophobicContact CB-CE1 4.05Å; G400-F476 WeakPolarHBondContact O-CZ 3.48Å; L401-F476 HydrophobicContact CB-CZ 4.29Å; L401-F476 HydrophobicContact CD2-CE2 4.13Å; L411-F476 HydrophobicContact CB-CD2 4.35Å; L411-F476 HydrophobicContact CB-CG 4.26Å; L411-F476 HydrophobicContact CD1-CE2 4.39Å; L411-F476 HydrophobicContact CD2-CD2 3.55Å; L411-F476 HydrophobicContact CD2-CE2 3.92Å; L411-F476 HydrophobicContact CD2-CG 4.23Å; L411-F476 HydrophobicContact CG-CD2 4.41Å; I412-F476 HydrophobicContact CD1-CB 3.64Å; I412-F476 HydrophobicContact CG1-CB 4.16Å; K421-F476 CarbonylContact C-O 3.57Å; K421-F476 WeakPolarHBondContact CA-O 3.35Å; Q422-F476 PolarHBondContact N-O 2.98Å; Q422-F476 PolarHBondContact O-N 2.86Å; V440-F476 HydrophobicContact CB-CZ 4.48Å; V440-F476 HydrophobicContact CG1-CE1 3.71Å; V440-F476 HydrophobicContact CG1-CZ 3.8Å; V440-F476 HydrophobicContact CG2-CZ 4.05Å; V474-F476 HydrophobicContact CG1-CD2 4.04Å; V474-F476 HydrophobicContact CG1-CE2 3.74Å; F476-L484 HydrophobicContact CB-CD1 4.06Å; F476-L484 HydrophobicContact CD1-CD1 3.74Å; F476-L484 HydrophobicContact CD1-CD2 4.18Å; F476-L484 HydrophobicContact CE1-CD2 4.22Å; F476-L484 HydrophobicContact CG-CD1 4.19Å; F476-V486 HydrophobicContact CD1-CG2 4Å; F476-V486 HydrophobicContact CD2-CG1 3.9Å; F476-V486 HydrophobicContact CD2-CG2 3.92Å; F476-V486 HydrophobicContact CE1-CG2 4Å; F476-V486 HydrophobicContact CE2-CB 4.47Å; F476-V486 HydrophobicContact CE2-CG1 3.62Å; F476-V486 HydrophobicContact CE2-CG2 3.93Å; F476-V486 HydrophobicContact CG-CG2 3.96Å; F476-V486 HydrophobicContact CZ-CG1 4.24Å; F476-V486 HydrophobicContact CZ-CG2 3.97Å
477D94.1Very high90.6Very high59 Ų5936 Ų3632%0.31620%0.2SC..EExtended strand (participates in β ladder)trans-131.8111.1-176.8-173.91.2000109K421 N485K421-D477 HydrophobicContact CG-CB 4.23Å; D477-N485 HydrophobicContact CB-CB 4.28Å; D477-N485 PolarHBondContact N-O 2.88Å; D477-N485 PolarHBondContact O-N 3.15Å
478I90.5Very high90.7Very high5 Ų528.1 Ų28.13%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-104.1123.6178.1-54.9172.3000108.3A395 L399 I412 I418 P419 T420 L484A395-I478 HydrophobicContact CB-CD1 4.25Å; L399-I478 HydrophobicContact CD1-CD1 3.37Å; L399-I478 HydrophobicContact CD1-CG1 4.1Å; I412-I478 HydrophobicContact CB-CD1 4.44Å; I412-I478 HydrophobicContact CD1-CD1 3.47Å; I412-I478 VanDerWaalsContact CD1-CD1 3.47Å; I412-I478 HydrophobicContact CD1-CG1 3.65Å; I412-I478 HydrophobicContact CG2-CD1 3.9Å; I418-I478 HydrophobicContact CB-CG2 4.21Å; I418-I478 HydrophobicContact CD1-CG2 4.41Å; I418-I478 HydrophobicContact CG2-CB 4.11Å; I418-I478 HydrophobicContact CG2-CD1 4.17Å; I418-I478 HydrophobicContact CG2-CG2 3.75Å; P419-I478 CarbonylContact C-O 3.51Å; P419-I478 WeakPolarHBondContact CA-O 3.29Å; P419-I478 VanDerWaalsContact CB-O 3.28Å; P419-I478 WeakPolarHBondContact CB-O 3.29Å; T420-I478 HydrophobicContact CG2-CB 4.49Å; T420-I478 HydrophobicContact CG2-CD1 4.33Å; T420-I478 PolarHBondContact N-O 2.83Å; T420-I478 PolarHBondContact O-N 2.84Å; I478-L484 HydrophobicContact CG1-CD1 3.85Å
479D90.1Very high91Very high45 Ų4527.6 Ų27.624%0.24116%0.159CC..  trans-82-179179.182.6-8000113.1N481 G482 I483D479-N481 PolarHBondContact O-N 3.06Å; D479-N481 WeakPolarHBondContact OD1-CA 3.35Å; D479-N481 WeakPolarHBondContact OD1-CB 3.31Å; D479-N481 PolarHBondContact OD1-N 3.1Å; D479-N481 PolarHBondContact OD2-ND2 3.45Å; D479-G482 PolarHBondContact O-N 3.45Å; D479-G482 PolarHBondContact OD1-N 2.87Å; D479-G482 VanDerWaalsContact OD1-N 3.1Å; D479-I483 PolarHBondContact N-O 3.27Å; D479-I483 PolarHBondContact OD1-N 2.87Å
480A88.9Confident91Very high46 Ų4623.7 Ų23.738%0.3814%0.135SC..THydrogen-bonded Turntrans-70.4-8.5178.900000114.4
481N85.3Confident91Very high22 Ų2228.3 Ų28.312%0.11815%0.154CC..THydrogen-bonded Turntrans-92.3-5.1171.6-58.6-66.3000111.9R153 R169 I170 D479 I483R153-N481 WeakPolarHBondContact CD-O 3.38Å; R153-N481 PolarHBondContact NH1-O 2.88Å; R169-N481 WeakPolarHBondContact CA-OD1 3.42Å; I170-N481 HydrophobicContact CB-CB 4.37Å; I170-N481 PolarHBondContact N-OD1 3.42Å; D479-N481 PolarHBondContact O-N 3.06Å; D479-N481 WeakPolarHBondContact OD1-CA 3.35Å; D479-N481 WeakPolarHBondContact OD1-CB 3.31Å; D479-N481 PolarHBondContact OD1-N 3.1Å; D479-N481 PolarHBondContact OD2-ND2 3.45Å; N481-I483 HydrophobicContact CB-CD1 3.95Å; N481-I483 HydrophobicContact CB-CG1 4.02Å
482G84.8Confident90.6Very high8 Ų827 Ų278%0.08217%0.166CC..  trans76.127.3-171.900000113.2D150 R153 D479D150-G482 VanDerWaalsContact OD1-O 3.07Å; R153-G482 WeakPolarHBondContact CD-O 3.4Å; D479-G482 PolarHBondContact O-N 3.45Å; D479-G482 PolarHBondContact OD1-N 2.87Å; D479-G482 VanDerWaalsContact OD1-N 3.1Å
483I85.1Confident90.3Very high12 Ų1229.8 Ų29.86%0.06218%0.183CC..  trans-95.6123.6177.6-60.4169.8000109.9D150 K157 D479 N481D150-I483 WeakPolarHBondContact OD1-CA 3.11Å; K157-I483 HydrophobicContact CD-CD1 4.49Å; D479-I483 PolarHBondContact N-O 3.27Å; D479-I483 PolarHBondContact OD1-N 2.87Å; N481-I483 HydrophobicContact CB-CD1 3.95Å; N481-I483 HydrophobicContact CB-CG1 4.02Å
484L86.5Confident89.6Confident0 Ų029.6 Ų29.60%020%0.196CC..EExtended strand (participates in β ladder)trans-84.1127.6-179.2179.663.9000113.3D150 L399 V440 L454 F476 I478 V486 I501D150-L484 VanDerWaalsContact OD1-CB 3.29Å; D150-L484 WeakPolarHBondContact OD1-CB 3.35Å; D150-L484 PolarHBondContact OD1-N 3.15Å; D150-L484 VanDerWaalsContact OD2-CB 3.31Å; D150-L484 WeakPolarHBondContact OD2-CB 3.14Å; L399-L484 HydrophobicContact CD1-CD1 4.33Å; L399-L484 HydrophobicContact CD1-CD2 4.23Å; L399-L484 HydrophobicContact CD2-CD2 4.12Å; V440-L484 HydrophobicContact CG1-CD2 3.86Å; L454-L484 HydrophobicContact CD1-CD2 4.09Å; F476-L484 HydrophobicContact CB-CD1 4.06Å; F476-L484 HydrophobicContact CD1-CD1 3.74Å; F476-L484 HydrophobicContact CD1-CD2 4.18Å; F476-L484 HydrophobicContact CE1-CD2 4.22Å; F476-L484 HydrophobicContact CG-CD1 4.19Å; I478-L484 HydrophobicContact CG1-CD1 3.85Å; L484-V486 HydrophobicContact CD1-CG2 3.95Å; L484-V486 HydrophobicContact CD2-CG2 3.92Å; L484-V486 HydrophobicContact CG-CG2 3.8Å; L484-I501 HydrophobicContact CD2-CB 4.31Å; L484-I501 HydrophobicContact CD2-CG1 4.16Å; L484-I501 HydrophobicContact CG-CB 4.38Å; L484-I501 HydrophobicContact CG-CG1 4.34Å; L484-I501 PolarHBondContact O-N 3.22Å; L484-I501 VanDerWaalsContact O-N 3.12Å
485N89.2Confident88.9Confident49 Ų4934.5 Ų34.526%0.26222%0.218SC..EExtended strand (participates in β ladder)trans-113.6130.3168.7-60.6-87.9000109.4D477 T500D477-N485 HydrophobicContact CB-CB 4.28Å; D477-N485 PolarHBondContact N-O 2.88Å; D477-N485 PolarHBondContact O-N 3.15Å; N485-T500 WeakPolarHBondContact OD1-CB 3.47Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.22Å; N485-T500 PolarHBondContact OD1-OG1 3.04Å
486V91.6Very high88.1Confident2 Ų240.8 Ų40.81%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-123.2119.2179.3-177.90000111.1V440 F457 V474 T475 F476 L484 I499 I501V440-V486 HydrophobicContact CG1-CG2 4.22Å; V440-V486 HydrophobicContact CG2-CB 4.24Å; V440-V486 HydrophobicContact CG2-CG1 3.98Å; V440-V486 HydrophobicContact CG2-CG2 4.06Å; F457-V486 HydrophobicContact CE1-CB 4.39Å; F457-V486 HydrophobicContact CE1-CG1 3.9Å; F457-V486 HydrophobicContact CZ-CG1 4.07Å; V474-V486 HydrophobicContact CG1-CG1 3.9Å; T475-V486 CarbonylContact O-C 3.38Å; T475-V486 VanDerWaalsContact O-CA 3.29Å; T475-V486 WeakPolarHBondContact O-CA 3.42Å; F476-V486 HydrophobicContact CD1-CG2 4Å; F476-V486 HydrophobicContact CD2-CG1 3.9Å; F476-V486 HydrophobicContact CD2-CG2 3.92Å; F476-V486 HydrophobicContact CE1-CG2 4Å; F476-V486 HydrophobicContact CE2-CB 4.47Å; F476-V486 HydrophobicContact CE2-CG1 3.62Å; F476-V486 HydrophobicContact CE2-CG2 3.93Å; F476-V486 HydrophobicContact CG-CG2 3.96Å; F476-V486 HydrophobicContact CZ-CG1 4.24Å; F476-V486 HydrophobicContact CZ-CG2 3.97Å; L484-V486 HydrophobicContact CD1-CG2 3.95Å; L484-V486 HydrophobicContact CD2-CG2 3.92Å; L484-V486 HydrophobicContact CG-CG2 3.8Å; V486-I499 CarbonylContact C-O 3.58Å; V486-I499 VanDerWaalsContact C-O 3.29Å; V486-I499 WeakPolarHBondContact CA-O 3.46Å; V486-I499 HydrophobicContact CB-CG2 4.09Å; V486-I499 PolarHBondContact N-O 2.69Å; V486-I499 CarbonylContact O-C 3.54Å; V486-I499 WeakPolarHBondContact O-CG2 3.3Å; V486-I499 PolarHBondContact O-N 2.95Å; V486-I501 HydrophobicContact CB-CD1 4.17Å; V486-I501 HydrophobicContact CB-CG1 3.77Å; V486-I501 HydrophobicContact CG2-CD1 4.2Å; V486-I501 HydrophobicContact CG2-CG1 3.45Å; V486-I501 VanDerWaalsContact CG2-CG1 3.45Å
487S92.7Very high87.1Confident34 Ų3443.9 Ų43.924%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-115.9147.5175.953.30000111.1V474 T475V474-S487 CarbonylContact C-O 3.52Å; V474-S487 VanDerWaalsContact CA-O 3.28Å; V474-S487 WeakPolarHBondContact CA-O 3.39Å; T475-S487 PolarHBondContact N-O 2.81Å; T475-S487 PolarHBondContact O-N 2.91Å
488A92Very high85.9Confident0 Ų048.5 Ų48.50%028%0.28CS..EExtended strand (participates in β ladder)trans-128.3130.8173.900000110I438 F457 L459 I472 E473 V474 Q496 N497I438-A488 HydrophobicContact CG1-CB 4.08Å; F457-A488 HydrophobicContact CE2-CB 3.7Å; F457-A488 HydrophobicContact CZ-CB 3.81Å; L459-A488 HydrophobicContact CD2-CB 4.16Å; I472-A488 HydrophobicContact CG2-CB 4.18Å; E473-A488 CarbonylContact O-C 3.54Å; E473-A488 VanDerWaalsContact O-CA 3.29Å; E473-A488 WeakPolarHBondContact O-CA 3.48Å; V474-A488 HydrophobicContact CG2-CB 4.18Å; A488-Q496 WeakPolarHBondContact O-CA 3.39Å; A488-N497 PolarHBondContact N-O 2.73Å; A488-N497 PolarHBondContact O-N 2.74Å
489V92.7Very high84.6Confident31 Ų3149.3 Ų49.319%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-129.5126.5-177.4-171.60000109.9I472 E473 K491 Q496I472-V489 CarbonylContact C-O 3.32Å; I472-V489 WeakPolarHBondContact CA-O 3.31Å; E473-V489 PolarHBondContact N-O 2.88Å; E473-V489 PolarHBondContact O-N 2.9Å; V489-K491 PolarHBondContact O-N 3.1Å; V489-Q496 HydrophobicContact CB-CB 4.33Å; V489-Q496 HydrophobicContact CG1-CB 4.17Å; V489-Q496 HydrophobicContact CG2-CB 3.69Å
490D91.9Very high83.1Confident5 Ų549.7 Ų49.73%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-77.3113.9166.6170.522.8000109.5L459 I472 G492 T493 G494 K495L459-D490 HydrophobicContact CD2-CB 4.37Å; I472-D490 HydrophobicContact CD1-CB 3.93Å; D490-G492 PolarHBondContact O-N 3.07Å; D490-G492 PolarHBondContact OD1-N 2.71Å; D490-T493 PolarHBondContact O-N 2.78Å; D490-T493 WeakPolarHBondContact OD2-CB 3.29Å; D490-T493 VanDerWaalsContact OD2-CG2 3.28Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.41Å; D490-T493 PolarHBondContact OD2-N 2.81Å; D490-T493 PolarHBondContact OD2-OG1 3.46Å; D490-G494 WeakPolarHBondContact O-CA 3.16Å; D490-G494 PolarHBondContact O-N 3.5Å; D490-K495 PolarHBondContact N-O 2.93Å
491K90.6Very high81.6Confident110 Ų11047.8 Ų47.848%0.47827%0.272SS..THydrogen-bonded Turntrans-66-22.7-178.2-58.3-172.479.6141.30113Q471 E473 V489Q471-K491 HydrophobicContact CB-CB 4.2Å; Q471-K491 HydrophobicContact CB-CD 4.16Å; Q471-K491 HydrophobicContact CB-CG 4.26Å; Q471-K491 PolarHBondContact O-N 2.79Å; E473-K491 HydrophobicContact CB-CD 4.26Å; E473-K491 HydrophobicContact CB-CG 4.12Å; E473-K491 IonicContact OE2-NZ 2.92Å; E473-K491 PolarHBondContact OE2-NZ 3.35Å; V489-K491 PolarHBondContact O-N 3.1Å
492G85.3Confident79.9Confident71 Ų7148.1 Ų48.173%0.73228%0.275SS*.THydrogen-bonded Turntrans-76-44.3-18000000112.9D490D490-G492 PolarHBondContact O-N 3.07Å; D490-G492 PolarHBondContact OD1-N 2.71Å
493T85.6Confident78.3Confident59 Ų5949.2 Ų49.236%0.36228%0.279SS..THydrogen-bonded Turntrans-99.1-14.9-178.160.20000114.3P463 D490 K495P463-T493 HydrophobicContact CG-CG2 3.38Å; D490-T493 PolarHBondContact O-N 2.78Å; D490-T493 WeakPolarHBondContact OD2-CB 3.29Å; D490-T493 VanDerWaalsContact OD2-CG2 3.28Å; D490-T493 WeakPolarHBondContact OD2-CG2 3.41Å; D490-T493 PolarHBondContact OD2-N 2.81Å; D490-T493 PolarHBondContact OD2-OG1 3.46Å; T493-K495 PolarHBondContact O-N 3.43Å; T493-K495 WeakPolarHBondContact OG1-CB 3.4Å; T493-K495 WeakPolarHBondContact OG1-CG 3.26Å; T493-K495 PolarHBondContact OG1-N 2.88Å
494G80.7Confident76.5Confident52 Ų5254.1 Ų54.154%0.53631%0.305SS..  trans69.43.9-169.500000113.5D490 Q496D490-G494 WeakPolarHBondContact O-CA 3.16Å; D490-G494 PolarHBondContact O-N 3.5Å; G494-Q496 PolarHBondContact O-N 3.45Å
495K79.9Confident74.7Confident104 Ų10462.2 Ų62.245%0.45234%0.34SS..  trans-65.9121.9174.5-72.8-178.6-177.6175.90108.7G461 D490 T493G461-K495 PolarHBondContact O-NZ 3.3Å; D490-K495 PolarHBondContact N-O 2.93Å; T493-K495 PolarHBondContact O-N 3.43Å; T493-K495 WeakPolarHBondContact OG1-CB 3.4Å; T493-K495 WeakPolarHBondContact OG1-CG 3.26Å; T493-K495 PolarHBondContact OG1-N 2.88Å
496Q78.6Confident72.9Confident142 Ų14261 Ų6166%0.66434%0.339SS*.EExtended strand (participates in β ladder)trans-109.6140.2172.863.2-1798.600109.6A488 V489 G494A488-Q496 WeakPolarHBondContact O-CA 3.39Å; V489-Q496 HydrophobicContact CB-CB 4.33Å; V489-Q496 HydrophobicContact CG1-CB 4.17Å; V489-Q496 HydrophobicContact CG2-CB 3.69Å; G494-Q496 PolarHBondContact O-N 3.45Å
497N73.1Confident71.5Confident65 Ų6563.5 Ų63.535%0.34835%0.348SS..EExtended strand (participates in β ladder)trans-122.5134158.3-155.6-4.6000107.4F457 E458 L459 A488F457-N497 HydrophobicContact CD2-CB 4.38Å; E458-N497 PolarHBondContact O-ND2 3.18Å; L459-N497 HydrophobicContact CB-CB 4.48Å; L459-N497 HydrophobicContact CD1-CB 3.73Å; A488-N497 PolarHBondContact N-O 2.73Å; A488-N497 PolarHBondContact O-N 2.74Å
498K69.5Low70Confident157 Ų15762.2 Ų62.268%0.68334%0.339SS*.EExtended strand (participates in β ladder)trans-120.6138.8177.367.5176.9-175.1173.80108.6
499I62.4Low68.9Low21 Ų2164.4 Ų64.411%0.10835%0.354CS..EExtended strand (participates in β ladder)trans-113.7123.8161-166153.1000104.8K456 F457 V486 I501K456-I499 WeakPolarHBondContact O-CD1 3.42Å; F457-I499 HydrophobicContact CB-CB 4.04Å; F457-I499 HydrophobicContact CB-CD1 3.71Å; F457-I499 HydrophobicContact CB-CG1 4.45Å; F457-I499 HydrophobicContact CB-CG2 4.36Å; F457-I499 HydrophobicContact CD1-CB 3.71Å; F457-I499 HydrophobicContact CD1-CD1 4.25Å; F457-I499 HydrophobicContact CD1-CG2 3.08Å; F457-I499 HydrophobicContact CD2-CB 4.35Å; F457-I499 HydrophobicContact CD2-CG2 4.36Å; F457-I499 HydrophobicContact CE1-CB 4.16Å; F457-I499 HydrophobicContact CE1-CG2 3.19Å; F457-I499 HydrophobicContact CE2-CG2 4.44Å; F457-I499 HydrophobicContact CG-CB 3.79Å; F457-I499 HydrophobicContact CG-CD1 4.29Å; F457-I499 HydrophobicContact CG-CG2 3.71Å; F457-I499 HydrophobicContact CZ-CG2 3.9Å; V486-I499 CarbonylContact C-O 3.58Å; V486-I499 VanDerWaalsContact C-O 3.29Å; V486-I499 WeakPolarHBondContact CA-O 3.46Å; V486-I499 HydrophobicContact CB-CG2 4.09Å; V486-I499 PolarHBondContact N-O 2.69Å; V486-I499 CarbonylContact O-C 3.54Å; V486-I499 WeakPolarHBondContact O-CG2 3.3Å; V486-I499 PolarHBondContact O-N 2.95Å; I499-I501 HydrophobicContact CG1-CD1 4.39Å; I499-I501 HydrophobicContact CG2-CD1 3.37Å; I499-I501 HydrophobicContact CG2-CG1 4.01Å; I499-I501 PolarHBondContact O-N 2.71Å
500T59.1Low67.9Low54 Ų5469.8 Ų69.833%0.33138%0.375SS..EExtended strand (participates in β ladder)trans-62.6130.4145.8-65.80000103.4N485 T502N485-T500 WeakPolarHBondContact OD1-CB 3.47Å; N485-T500 WeakPolarHBondContact OD1-CG2 3.22Å; N485-T500 PolarHBondContact OD1-OG1 3.04Å; T500-T502 HydrophobicContact CG2-CG2 3.59Å; T500-T502 PolarHBondContact O-N 3.07Å; T500-T502 PolarHBondContact O-OG1 3.49Å
501I57.5Low67.3Low5 Ų575.6 Ų75.63%0.02640%0.402CS..  trans-69.471.2174.9-65-70.5000106.9V440 L454 L484 V486 I499V440-I501 HydrophobicContact CB-CD1 3.65Å; V440-I501 HydrophobicContact CB-CG1 4.19Å; V440-I501 HydrophobicContact CG1-CD1 4.11Å; V440-I501 HydrophobicContact CG1-CG1 4.09Å; V440-I501 HydrophobicContact CG2-CD1 3.48Å; V440-I501 VanDerWaalsContact CG2-CD1 3.48Å; V440-I501 HydrophobicContact CG2-CG1 4.15Å; L454-I501 HydrophobicContact CB-CG2 3.59Å; L484-I501 HydrophobicContact CD2-CB 4.31Å; L484-I501 HydrophobicContact CD2-CG1 4.16Å; L484-I501 HydrophobicContact CG-CB 4.38Å; L484-I501 HydrophobicContact CG-CG1 4.34Å; L484-I501 PolarHBondContact O-N 3.22Å; L484-I501 VanDerWaalsContact O-N 3.12Å; V486-I501 HydrophobicContact CB-CD1 4.17Å; V486-I501 HydrophobicContact CB-CG1 3.77Å; V486-I501 HydrophobicContact CG2-CD1 4.2Å; V486-I501 HydrophobicContact CG2-CG1 3.45Å; V486-I501 VanDerWaalsContact CG2-CG1 3.45Å; I499-I501 HydrophobicContact CG1-CD1 4.39Å; I499-I501 HydrophobicContact CG2-CD1 3.37Å; I499-I501 HydrophobicContact CG2-CG1 4.01Å; I499-I501 PolarHBondContact O-N 2.71Å
502T50.4Low66.6Low30 Ų3072.3 Ų72.318%0.18439%0.388CS..  trans-79.8114.5161.850.60000102.1T500 D504 R507T500-T502 HydrophobicContact CG2-CG2 3.59Å; T500-T502 PolarHBondContact O-N 3.07Å; T500-T502 PolarHBondContact O-OG1 3.49Å; T502-D504 WeakPolarHBondContact CB-OD1 3.4Å; T502-D504 PolarHBondContact O-N 3.38Å; T502-D504 PolarHBondContact OG1-OD1 3.01Å; T502-R507 VanDerWaalsContact CG2-NH1 3.27Å
503N49.2Very low65.8Low30 Ų3070.3 Ų70.316%0.1636%0.361CS..  trans-63.783.3165-161.52.4000106.4K505 G506 R507N503-K505 CarbonylContact O-C 3.5Å; N503-K505 PolarHBondContact O-N 2.93Å; N503-G506 PolarHBondContact O-N 3.29Å; N503-R507 PolarHBondContact O-N 3.08Å
504D47.3Very low65.5Low116 Ų11672.4 Ų72.462%0.6237%0.366SS*.THydrogen-bonded Turntrans-57-27-175.6-74.4-12.7000110.3T502 G506T502-D504 WeakPolarHBondContact CB-OD1 3.4Å; T502-D504 PolarHBondContact O-N 3.38Å; T502-D504 PolarHBondContact OG1-OD1 3.01Å; D504-G506 VanDerWaalsContact C-N 3.31Å; D504-G506 PolarHBondContact O-N 3.31Å
505K49Very low65.9Low169 Ų16976 Ų7674%0.73536%0.364SS*.THydrogen-bonded Turntrans-81.574170.8-65.4-170.3177.7-171.50111.1N503N503-K505 CarbonylContact O-C 3.5Å; N503-K505 PolarHBondContact O-N 2.93Å
506G51.4Low66Low23 Ų2371.2 Ų71.224%0.23734%0.343CS..THydrogen-bonded Turntrans152.7-35.1173.200000113N503 D504N503-G506 PolarHBondContact O-N 3.29Å; D504-G506 VanDerWaalsContact C-N 3.31Å; D504-G506 PolarHBondContact O-N 3.31Å
507R62.5Low66Low55 Ų5566.5 Ų66.521%0.20832%0.324CS..PPolyproline II helixtrans-63.2150.4-179.4-77.9-16373.6174.73.2113.4K98 Q154 D158 T502 N503K98-R507 WeakPolarHBondContact CE-O 3.21Å; K98-R507 PolarHBondContact NZ-O 3.4Å; Q154-R507 VanDerWaalsContact CG-NE 3.3Å; D158-R507 IonicContact OD1-NH2 2.85Å; D158-R507 PolarHBondContact OD1-NH2 2.91Å; D158-R507 VanDerWaalsContact OD1-NH2 3.13Å; D158-R507 IonicContact OD2-CZ 2.88Å; D158-R507 IonicContact OD2-NE 3.75Å; D158-R507 PolarHBondContact OD2-NE 3.12Å; D158-R507 IonicContact OD2-NH2 3.71Å; D158-R507 PolarHBondContact OD2-NH2 3.03Å; D158-R507 VanDerWaalsContact OD2-NH2 3.16Å; T502-R507 VanDerWaalsContact CG2-NH1 3.27Å; N503-R507 PolarHBondContact O-N 3.08Å
508L60.9Low66.5Low8 Ų866 Ų664%0.04233%0.328CS..PPolyproline II helixtrans-72.8128.9164.7-56.6174.1000108.9E115 D158 I162 E512 I513 M516E115-L508 HydrophobicContact CB-CD1 4.03Å; E115-L508 HydrophobicContact CG-CD1 4.24Å; D158-L508 HydrophobicContact CB-CD1 4.48Å; I162-L508 HydrophobicContact CD1-CD1 3.74Å; L508-E512 WeakPolarHBondContact CA-OE2 3.32Å; L508-E512 HydrophobicContact CB-CB 4.17Å; L508-E512 HydrophobicContact CD2-CB 4.36Å; L508-I513 HydrophobicContact CB-CD1 4.23Å; L508-I513 HydrophobicContact CB-CG1 3.56Å; L508-I513 HydrophobicContact CD1-CG1 4.2Å; L508-M516 HydrophobicContact CD1-CE 4.15Å; L508-M516 HydrophobicContact CD1-SD 3.32Å; L508-M516 WeakPolarHBondContact CD1-SD 3.46Å; L508-M516 HydrophobicContact CD2-CE 3.28Å; L508-M516 HydrophobicContact CD2-SD 3.66Å; L508-M516 HydrophobicContact CG-CE 4.3Å; L508-M516 HydrophobicContact CG-SD 4.05Å
509S69.3Low67.3Low45 Ų4560.8 Ų60.832%0.31531%0.308SS..PPolyproline II helixtrans-64162.4167.689.80000109.4E511 E512 I513S509-E511 VanDerWaalsContact CB-OE2 3.24Å; S509-E511 WeakPolarHBondContact CB-OE2 3.33Å; S509-E511 PolarHBondContact O-N 3.17Å; S509-E511 PolarHBondContact OG-N 3.38Å; S509-E511 PolarHBondContact OG-OE2 3.08Å; S509-E512 PolarHBondContact N-OE2 2.59Å; S509-E512 PolarHBondContact O-N 3.29Å; S509-E512 PolarHBondContact OG-N 2.98Å; S509-I513 WeakPolarHBondContact O-CG1 3.47Å; S509-I513 PolarHBondContact O-N 2.91Å
510K71.7Confident68Low144 Ų14460.7 Ų60.763%0.62631%0.31SS*.Hα-helixtrans-58.1-38.7176-167.7-173.1178.4-146.90111.1I513 E514K510-I513 PolarHBondContact O-N 2.88Å; K510-E514 WeakPolarHBondContact CE-OE1 3.2Å; K510-E514 IonicContact NZ-OE1 3.59Å; K510-E514 PolarHBondContact NZ-OE1 3.24Å; K510-E514 WeakPolarHBondContact O-CB 3.47Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.24Å; K510-E514 PolarHBondContact O-N 2.88Å
511E78.7Confident69Low128 Ų12862.9 Ų62.960%0.59832%0.32SS*.Hα-helixtrans-67.2-36.4176-54.173-158.500111.9S509 R515S509-E511 VanDerWaalsContact CB-OE2 3.24Å; S509-E511 WeakPolarHBondContact CB-OE2 3.33Å; S509-E511 PolarHBondContact O-N 3.17Å; S509-E511 PolarHBondContact OG-N 3.38Å; S509-E511 PolarHBondContact OG-OE2 3.08Å; E511-R515 VanDerWaalsContact O-CB 3.27Å; E511-R515 WeakPolarHBondContact O-CB 3.02Å; E511-R515 PolarHBondContact O-N 3.23Å
512E75.5Confident70.3Confident41 Ų4168 Ų6819%0.19234%0.342CS..Hα-helixtrans-68.3-41173-70.2175.7120.300111.7K98 L508 S509 R515 M516K98-E512 IonicContact NZ-OE1 3.9Å; K98-E512 PolarHBondContact NZ-OE1 3.33Å; K98-E512 IonicContact NZ-OE2 2.73Å; K98-E512 PolarHBondContact NZ-OE2 3.19Å; L508-E512 WeakPolarHBondContact CA-OE2 3.32Å; L508-E512 HydrophobicContact CB-CB 4.17Å; L508-E512 HydrophobicContact CD2-CB 4.36Å; S509-E512 PolarHBondContact N-OE2 2.59Å; S509-E512 PolarHBondContact O-N 3.29Å; S509-E512 PolarHBondContact OG-N 2.98Å; E512-R515 PolarHBondContact O-N 3.35Å; E512-M516 WeakPolarHBondContact O-CB 3.37Å; E512-M516 WeakPolarHBondContact O-CG 3.28Å; E512-M516 PolarHBondContact O-N 2.59Å
513I70.2Confident71.9Confident29 Ų2967.6 Ų67.615%0.14934%0.337CS..Hα-helixtrans-62.3-48.5173.8-64.8171.7000109.5D158 I162 L508 S509 K510 R515 M516 V517D158-I513 HydrophobicContact CB-CD1 4.27Å; I162-I513 HydrophobicContact CG1-CG2 4.45Å; L508-I513 HydrophobicContact CB-CD1 4.23Å; L508-I513 HydrophobicContact CB-CG1 3.56Å; L508-I513 HydrophobicContact CD1-CG1 4.2Å; S509-I513 WeakPolarHBondContact O-CG1 3.47Å; S509-I513 PolarHBondContact O-N 2.91Å; K510-I513 PolarHBondContact O-N 2.88Å; I513-R515 VanDerWaalsContact C-N 3.32Å; I513-R515 PolarHBondContact O-N 3.02Å; I513-M516 CarbonylContact O-C 3.55Å; I513-M516 PolarHBondContact O-N 3.21Å; I513-M516 VanDerWaalsContact O-N 3.1Å; I513-V517 HydrophobicContact CG2-CG2 4.19Å; I513-V517 WeakPolarHBondContact O-CB 3.33Å; I513-V517 VanDerWaalsContact O-CG2 3.24Å; I513-V517 WeakPolarHBondContact O-CG2 3.46Å; I513-V517 PolarHBondContact O-N 3.38Å
514E79.3Confident73.3Confident103 Ų10369.7 Ų69.748%0.48135%0.345SS..Hα-helixtrans-60.2-41177.6-75.1172.6-170.800111.6K510 V517 A518K510-E514 WeakPolarHBondContact CE-OE1 3.2Å; K510-E514 IonicContact NZ-OE1 3.59Å; K510-E514 PolarHBondContact NZ-OE1 3.24Å; K510-E514 WeakPolarHBondContact O-CB 3.47Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.24Å; K510-E514 PolarHBondContact O-N 2.88Å; E514-V517 PolarHBondContact O-N 3.42Å; E514-A518 WeakPolarHBondContact O-CB 3.29Å; E514-A518 PolarHBondContact O-N 3.27Å
515R87.4Confident75.1Confident128 Ų12866.8 Ų66.848%0.48334%0.337SS..Hα-helixtrans-62.8-43.8172-176.9-175.265.1-156.2-7.9111.7E511 E512 I513 A518 D519E511-R515 VanDerWaalsContact O-CB 3.27Å; E511-R515 WeakPolarHBondContact O-CB 3.02Å; E511-R515 PolarHBondContact O-N 3.23Å; E512-R515 PolarHBondContact O-N 3.35Å; I513-R515 VanDerWaalsContact C-N 3.32Å; I513-R515 PolarHBondContact O-N 3.02Å; R515-A518 CarbonylContact O-C 3.43Å; R515-A518 WeakPolarHBondContact O-CB 3.48Å; R515-A518 PolarHBondContact O-N 3.11Å; R515-D519 WeakPolarHBondContact O-CB 3.36Å; R515-D519 PolarHBondContact O-N 3.36Å
516M82.7Confident76.8Confident2 Ų261.1 Ų61.11%0.0131%0.313CS..Hα-helixtrans-69.1-33.8179.4-74.3174-177.200112.6E116 I162 L508 E512 I513 D519 A520E116-M516 VanDerWaalsContact CD-CE 3.41Å; E116-M516 HydrophobicContact CG-CB 4.47Å; E116-M516 HydrophobicContact CG-CE 3.82Å; E116-M516 HydrophobicContact CG-CG 3.83Å; E116-M516 HydrophobicContact CG-SD 3.46Å; E116-M516 WeakPolarHBondContact CG-SD 3.05Å; E116-M516 WeakPolarHBondContact OE2-CE 3.37Å; I162-M516 HydrophobicContact CD1-CB 3.98Å; I162-M516 HydrophobicContact CD1-SD 3.79Å; I162-M516 HydrophobicContact CG1-CB 3.92Å; I162-M516 HydrophobicContact CG2-CB 4.14Å; L508-M516 HydrophobicContact CD1-CE 4.15Å; L508-M516 HydrophobicContact CD1-SD 3.32Å; L508-M516 WeakPolarHBondContact CD1-SD 3.46Å; L508-M516 HydrophobicContact CD2-CE 3.28Å; L508-M516 HydrophobicContact CD2-SD 3.66Å; L508-M516 HydrophobicContact CG-CE 4.3Å; L508-M516 HydrophobicContact CG-SD 4.05Å; E512-M516 WeakPolarHBondContact O-CB 3.37Å; E512-M516 WeakPolarHBondContact O-CG 3.28Å; E512-M516 PolarHBondContact O-N 2.59Å; I513-M516 CarbonylContact O-C 3.55Å; I513-M516 PolarHBondContact O-N 3.21Å; I513-M516 VanDerWaalsContact O-N 3.1Å; M516-D519 PolarHBondContact O-N 2.85Å; M516-A520 WeakPolarHBondContact O-CB 3.25Å; M516-A520 PolarHBondContact O-N 3.12Å
517V77.9Confident78.2Confident43 Ų4361.8 Ų61.826%0.26131%0.312SS..Hα-helixtrans-63.3-46.8169.7170.50000109.2I513 E514 D519 A520 D521I513-V517 HydrophobicContact CG2-CG2 4.19Å; I513-V517 WeakPolarHBondContact O-CB 3.33Å; I513-V517 VanDerWaalsContact O-CG2 3.24Å; I513-V517 WeakPolarHBondContact O-CG2 3.46Å; I513-V517 PolarHBondContact O-N 3.38Å; E514-V517 PolarHBondContact O-N 3.42Å; V517-D519 VanDerWaalsContact C-N 3.34Å; V517-D519 PolarHBondContact O-N 3.36Å; V517-A520 PolarHBondContact O-N 2.77Å; V517-D521 WeakPolarHBondContact O-CB 3.48Å; V517-D521 PolarHBondContact O-N 3.11Å
518A85Confident79.2Confident54 Ų5463 Ų6345%0.44632%0.319SS..Hα-helixtrans-63.2-39176.300000112.6E514 R515 K522E514-A518 WeakPolarHBondContact O-CB 3.29Å; E514-A518 PolarHBondContact O-N 3.27Å; R515-A518 CarbonylContact O-C 3.43Å; R515-A518 WeakPolarHBondContact O-CB 3.48Å; R515-A518 PolarHBondContact O-N 3.11Å; A518-K522 VanDerWaalsContact O-CB 3.27Å; A518-K522 WeakPolarHBondContact O-CB 3.24Å; A518-K522 PolarHBondContact O-N 3.15Å
519D84.9Confident80.5Confident48 Ų4868.2 Ų68.226%0.25734%0.342SS..Hα-helixtrans-67.4-40.5174.2-73.5-28.3000110.8R515 M516 V517 K522 Y523R515-D519 WeakPolarHBondContact O-CB 3.36Å; R515-D519 PolarHBondContact O-N 3.36Å; M516-D519 PolarHBondContact O-N 2.85Å; V517-D519 VanDerWaalsContact C-N 3.34Å; V517-D519 PolarHBondContact O-N 3.36Å; D519-K522 WeakPolarHBondContact O-CB 3.38Å; D519-K522 PolarHBondContact O-N 3.34Å; D519-Y523 HydrophobicContact CB-CD2 4.44Å; D519-Y523 HydrophobicContact CB-CE2 4.07Å; D519-Y523 WeakPolarHBondContact O-CB 3.48Å; D519-Y523 WeakPolarHBondContact O-CD2 3.3Å; D519-Y523 VanDerWaalsContact O-CG 3.23Å; D519-Y523 PolarHBondContact O-N 2.95Å
520A78.8Confident81.1Confident19 Ų1967.2 Ų67.216%0.15733%0.332CS..Hα-helixtrans-62.6-44.3174.900000111.7I162 M516 V517 Y523 K524I162-A520 HydrophobicContact CG2-CB 4.01Å; M516-A520 WeakPolarHBondContact O-CB 3.25Å; M516-A520 PolarHBondContact O-N 3.12Å; V517-A520 PolarHBondContact O-N 2.77Å; A520-Y523 PolarHBondContact O-N 3.31Å; A520-K524 VanDerWaalsContact O-CB 3.29Å; A520-K524 WeakPolarHBondContact O-CB 3.49Å; A520-K524 PolarHBondContact O-N 3Å
521D78.4Confident81.6Confident100 Ų10067.9 Ų67.954%0.53533%0.331SS..Hα-helixtrans-63.7-42174.3-77.1-25.6000111.6V517 K524 A525V517-D521 WeakPolarHBondContact O-CB 3.48Å; V517-D521 PolarHBondContact O-N 3.11Å; D521-K524 PolarHBondContact O-N 2.74Å; D521-A525 PolarHBondContact O-N 2.72Å
522K86.2Confident82.1Confident112 Ų11264.9 Ų64.949%0.48732%0.319SS..Hα-helixtrans-59.7-50.1173.8176.3-173.8172.3-174.30110.9A518 D519 K524 A525 E526A518-K522 VanDerWaalsContact O-CB 3.27Å; A518-K522 WeakPolarHBondContact O-CB 3.24Å; A518-K522 PolarHBondContact O-N 3.15Å; D519-K522 WeakPolarHBondContact O-CB 3.38Å; D519-K522 PolarHBondContact O-N 3.34Å; K522-K524 VanDerWaalsContact C-N 3.32Å; K522-K524 PolarHBondContact O-N 3.49Å; K522-A525 PolarHBondContact O-N 2.85Å; K522-E526 WeakPolarHBondContact CE-OE1 3.35Å; K522-E526 WeakPolarHBondContact O-CG 3.29Å; K522-E526 PolarHBondContact O-N 3.38Å
523Y82.8Confident82.7Confident22 Ų2264.2 Ų64.29%0.08632%0.315CS..Hα-helixtrans-66.6-36.3-179.9-65.4-52.1000112.1Y105 F112 D519 A520 A525 E526 D527Y105-Y523 HydrophobicContact CD1-CE1 4.38Å; Y105-Y523 HydrophobicContact CE1-CD1 4.2Å; Y105-Y523 AromaticContact CE1-CE1 3.99Å; Y105-Y523 HydrophobicContact CE1-CE1 3.99Å; F112-Y523 AromaticContact CE1-CE2 3.85Å; F112-Y523 HydrophobicContact CE1-CE2 3.85Å; F112-Y523 HydrophobicContact CZ-CE2 4.39Å; D519-Y523 HydrophobicContact CB-CD2 4.44Å; D519-Y523 HydrophobicContact CB-CE2 4.07Å; D519-Y523 WeakPolarHBondContact O-CB 3.48Å; D519-Y523 WeakPolarHBondContact O-CD2 3.3Å; D519-Y523 VanDerWaalsContact O-CG 3.23Å; D519-Y523 PolarHBondContact O-N 2.95Å; A520-Y523 PolarHBondContact O-N 3.31Å; Y523-A525 VanDerWaalsContact C-N 3.34Å; Y523-A525 PolarHBondContact O-N 2.88Å; Y523-E526 WeakPolarHBondContact O-CB 3.49Å; Y523-E526 PolarHBondContact O-N 2.77Å; Y523-D527 WeakPolarHBondContact O-CB 3.31Å; Y523-D527 PolarHBondContact O-N 3.23Å
524K79.5Confident83.4Confident75 Ų7565.2 Ų65.233%0.32632%0.322SS..Hα-helixtrans-58.5-46.6171.9-178.3-178.1177.8-179.80111.1A520 D521 K522 E526 D527 E528A520-K524 VanDerWaalsContact O-CB 3.29Å; A520-K524 WeakPolarHBondContact O-CB 3.49Å; A520-K524 PolarHBondContact O-N 3Å; D521-K524 PolarHBondContact O-N 2.74Å; K522-K524 VanDerWaalsContact C-N 3.32Å; K522-K524 PolarHBondContact O-N 3.49Å; K524-E526 VanDerWaalsContact C-N 3.3Å; K524-E526 PolarHBondContact O-N 3.35Å; K524-D527 PolarHBondContact O-N 3.45Å; K524-E528 WeakPolarHBondContact CE-OE1 3.37Å; K524-E528 WeakPolarHBondContact O-CB 3.38Å; K524-E528 WeakPolarHBondContact O-CG 3.16Å; K524-E528 PolarHBondContact O-N 3.25Å
525A84.8Confident83.8Confident55 Ų5563.4 Ų63.446%0.45532%0.32SS..Hα-helixtrans-63.5-35.817600000112.4D521 K522 Y523 K529D521-A525 PolarHBondContact O-N 2.72Å; K522-A525 PolarHBondContact O-N 2.85Å; Y523-A525 VanDerWaalsContact C-N 3.34Å; Y523-A525 PolarHBondContact O-N 2.88Å; A525-K529 WeakPolarHBondContact O-CB 3.46Å; A525-K529 PolarHBondContact O-N 3.43Å
526E84.4Confident84Confident49 Ų4957.8 Ų57.823%0.22930%0.301CS..Hα-helixtrans-64.9-43.1172.5-71.4-179.3-163.300112.1K106 K522 Y523 K524 K529 Q530K106-E526 IonicContact NZ-OE2 3.54Å; K106-E526 PolarHBondContact NZ-OE2 3.39Å; K522-E526 WeakPolarHBondContact CE-OE1 3.35Å; K522-E526 WeakPolarHBondContact O-CG 3.29Å; K522-E526 PolarHBondContact O-N 3.38Å; Y523-E526 WeakPolarHBondContact O-CB 3.49Å; Y523-E526 PolarHBondContact O-N 2.77Å; K524-E526 VanDerWaalsContact C-N 3.3Å; K524-E526 PolarHBondContact O-N 3.35Å; E526-K529 PolarHBondContact O-N 3Å; E526-Q530 WeakPolarHBondContact O-CB 3.05Å; E526-Q530 PolarHBondContact O-N 3.21Å
527D81.6Confident84.4Confident38 Ų3859.2 Ų59.220%0.20331%0.308CS..Hα-helixtrans-65.9-39.3177-64.1-24.1000110.9R47 Y523 K524 Q530 R531R47-D527 IonicContact CZ-OD2 3.91Å; R47-D527 IonicContact NE-OD1 3.97Å; R47-D527 IonicContact NE-OD2 3.08Å; R47-D527 PolarHBondContact NE-OD2 2.86Å; R47-D527 IonicContact NH2-OD2 3.33Å; R47-D527 PolarHBondContact NH2-OD2 2.92Å; Y523-D527 WeakPolarHBondContact O-CB 3.31Å; Y523-D527 PolarHBondContact O-N 3.23Å; K524-D527 PolarHBondContact O-N 3.45Å; D527-Q530 PolarHBondContact O-N 3.45Å; D527-R531 WeakPolarHBondContact O-CB 3.43Å; D527-R531 PolarHBondContact O-N 3.03Å
528E83.7Confident84.9Confident79 Ų7960.8 Ų60.837%0.36932%0.315SS..Hα-helixtrans-63.4-44.8172.7-74.4177.8177.400111.8K524 Q530 R531 D532K524-E528 WeakPolarHBondContact CE-OE1 3.37Å; K524-E528 WeakPolarHBondContact O-CB 3.38Å; K524-E528 WeakPolarHBondContact O-CG 3.16Å; K524-E528 PolarHBondContact O-N 3.25Å; E528-Q530 VanDerWaalsContact C-N 3.29Å; E528-Q530 PolarHBondContact O-N 3.3Å; E528-R531 PolarHBondContact O-N 3.27Å; E528-D532 WeakPolarHBondContact O-CB 3.35Å; E528-D532 PolarHBondContact O-N 2.98Å
529K87.4Confident85.2Confident119 Ų11960.5 Ų60.552%0.51731%0.31SS..Hα-helixtrans-59.4-42.4174.7-174.4-170.8175.1-156.60111A525 E526 D532 R533 E585A525-K529 WeakPolarHBondContact O-CB 3.46Å; A525-K529 PolarHBondContact O-N 3.43Å; E526-K529 PolarHBondContact O-N 3Å; K529-D532 PolarHBondContact O-N 3.13Å; K529-R533 WeakPolarHBondContact O-CB 3.12Å; K529-R533 PolarHBondContact O-N 3.46Å; K529-E585 WeakPolarHBondContact CE-OE2 3.25Å; K529-E585 IonicContact NZ-OE1 2.77Å; K529-E585 IonicContact NZ-OE2 2.54Å; K529-E585 PolarHBondContact NZ-OE2 2.78Å
530Q82.9Confident85.7Confident24 Ų2458.2 Ų58.211%0.11230%0.297CS..Hα-helixtrans-65-44.3177.6177.869.8-9.300111.4E46 E526 D527 E528 D532 R533 V534E46-Q530 HydrophobicContact CB-CG 3.93Å; E46-Q530 WeakPolarHBondContact OE2-CG 3.45Å; E46-Q530 PolarHBondContact OE2-NE2 3.35Å; E526-Q530 WeakPolarHBondContact O-CB 3.05Å; E526-Q530 PolarHBondContact O-N 3.21Å; D527-Q530 PolarHBondContact O-N 3.45Å; E528-Q530 VanDerWaalsContact C-N 3.29Å; E528-Q530 PolarHBondContact O-N 3.3Å; Q530-D532 VanDerWaalsContact C-N 3.33Å; Q530-D532 PolarHBondContact O-N 3.24Å; Q530-R533 WeakPolarHBondContact O-CB 3.28Å; Q530-R533 PolarHBondContact O-N 3.44Å; Q530-V534 WeakPolarHBondContact O-CG2 3.48Å; Q530-V534 PolarHBondContact O-N 2.85Å
531R81.6Confident86.3Confident158 Ų15860.5 Ų60.560%0.59630%0.304SS*.Hα-helixtrans-59.1-45175.4-175.5-177.266.9-164.1-3.8111.5D527 E528 R533 V534 S535D527-R531 WeakPolarHBondContact O-CB 3.43Å; D527-R531 PolarHBondContact O-N 3.03Å; E528-R531 PolarHBondContact O-N 3.27Å; R531-R533 VanDerWaalsContact C-N 3.34Å; R531-R533 PolarHBondContact O-N 2.98Å; R531-V534 PolarHBondContact O-N 3.17Å; R531-S535 WeakPolarHBondContact O-CB 3.29Å; R531-S535 PolarHBondContact O-N 2.72Å
532D88.6Confident87Confident65 Ų6559 Ų5935%0.34830%0.302SS..Hα-helixtrans-61.5-41.5176.1-89.624.4000112.4E528 K529 Q530 S535 A536 K586E528-D532 WeakPolarHBondContact O-CB 3.35Å; E528-D532 PolarHBondContact O-N 2.98Å; K529-D532 PolarHBondContact O-N 3.13Å; Q530-D532 VanDerWaalsContact C-N 3.33Å; Q530-D532 PolarHBondContact O-N 3.24Å; D532-S535 PolarHBondContact O-N 2.99Å; D532-A536 WeakPolarHBondContact O-CB 3.43Å; D532-A536 PolarHBondContact O-N 2.82Å; D532-K586 HydrophobicContact CB-CD 4.15Å; D532-K586 IonicContact OD2-NZ 2.61Å; D532-K586 PolarHBondContact OD2-NZ 2.82Å
533R88.9Confident87.3Confident27 Ų2756.2 Ų56.210%0.10229%0.289CS..Hα-helixtrans-61.5-47.1175.3-175.5-16977.976.94.2111.2K529 Q530 R531 S535 A536 K537 Q582 A584 K586 Y589K529-R533 WeakPolarHBondContact O-CB 3.12Å; K529-R533 PolarHBondContact O-N 3.46Å; Q530-R533 WeakPolarHBondContact O-CB 3.28Å; Q530-R533 PolarHBondContact O-N 3.44Å; R531-R533 VanDerWaalsContact C-N 3.34Å; R531-R533 PolarHBondContact O-N 2.98Å; R533-S535 VanDerWaalsContact C-N 3.33Å; R533-A536 PolarHBondContact O-N 3.15Å; R533-K537 PolarHBondContact O-N 2.9Å; R533-Q582 PolarHBondContact NH1-O 3.48Å; R533-Q582 VanDerWaalsContact NH1-O 3.15Å; R533-A584 WeakPolarHBondContact CD-O 3.06Å; R533-A584 WeakPolarHBondContact CG-O 3.37Å; R533-A584 PolarHBondContact NH1-O 2.9Å; R533-A584 VanDerWaalsContact NH1-O 3.17Å; R533-K586 HydrophobicContact CB-CB 4.46Å; R533-Y589 HydrophobicContact CG-CD2 4.32Å; R533-Y589 HydrophobicContact CG-CE2 4Å
534V84.9Confident87.9Confident49 Ų4955.2 Ų55.230%0.29729%0.285SS..Hα-helixtrans-63.7-39.7176.4173.60000110.9Q530 R531 K537 N538Q530-V534 WeakPolarHBondContact O-CG2 3.48Å; Q530-V534 PolarHBondContact O-N 2.85Å; R531-V534 PolarHBondContact O-N 3.17Å; V534-K537 WeakPolarHBondContact O-CB 3.49Å; V534-K537 PolarHBondContact O-N 3.42Å; V534-N538 WeakPolarHBondContact O-CB 3.34Å; V534-N538 PolarHBondContact O-N 3.03Å; V534-N538 PolarHBondContact O-OD1 2.93Å
535S87.4Confident88.5Confident65 Ų6557.2 Ų57.246%0.45529%0.291SS..Hα-helixtrans-62.7-42.9175.3-175.90000112.3R531 D532 R533 N538 S539R531-S535 WeakPolarHBondContact O-CB 3.29Å; R531-S535 PolarHBondContact O-N 2.72Å; D532-S535 PolarHBondContact O-N 2.99Å; R533-S535 VanDerWaalsContact C-N 3.33Å; S535-N538 PolarHBondContact O-N 3.38Å; S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.27Å; S535-S539 PolarHBondContact O-N 2.9Å; S535-S539 PolarHBondContact O-OG 3.32Å
536A91Very high88.9Confident10 Ų1057.7 Ų57.78%0.08329%0.289CS..Hα-helixtrans-63.7-43175.500000112D532 R533 S539 L540 K586 E590D532-A536 WeakPolarHBondContact O-CB 3.43Å; D532-A536 PolarHBondContact O-N 2.82Å; R533-A536 PolarHBondContact O-N 3.15Å; A536-S539 PolarHBondContact O-N 2.98Å; A536-L540 PolarHBondContact O-N 2.96Å; A536-K586 HydrophobicContact CB-CG 3.91Å; A536-E590 HydrophobicContact CB-CG 4.28Å
537K90.9Very high89.2Confident32 Ų3255.6 Ų55.614%0.13928%0.279CS..Hα-helixtrans-57.7-52.8172.9-176.1-170.9172.6-163.90111.5R533 V534 S539 L540 E541 L578 Y589R533-K537 PolarHBondContact O-N 2.9Å; V534-K537 WeakPolarHBondContact O-CB 3.49Å; V534-K537 PolarHBondContact O-N 3.42Å; K537-S539 PolarHBondContact O-N 2.8Å; K537-L540 WeakPolarHBondContact O-CB 3.44Å; K537-L540 PolarHBondContact O-N 3.48Å; K537-E541 WeakPolarHBondContact O-CB 3.33Å; K537-E541 PolarHBondContact O-N 2.84Å; K537-L578 HydrophobicContact CG-CD2 3.95Å; K537-Y589 HydrophobicContact CB-CD1 4.09Å; K537-Y589 HydrophobicContact CB-CD2 3.82Å; K537-Y589 HydrophobicContact CB-CE1 3.98Å; K537-Y589 HydrophobicContact CB-CE2 3.64Å; K537-Y589 HydrophobicContact CB-CG 4.05Å; K537-Y589 HydrophobicContact CD-CE1 4.36Å; K537-Y589 HydrophobicContact CD-CE2 4.48Å; K537-Y589 HydrophobicContact CG-CD1 4.18Å; K537-Y589 HydrophobicContact CG-CE1 3.72Å; K537-Y589 HydrophobicContact CG-CE2 4.15Å
538N89.9Confident89.6Confident77 Ų7756 Ų5641%0.41228%0.279SS..Hα-helixtrans-63.3-34-179.5-67.4-3.7000111.5V534 S535 S542V534-N538 WeakPolarHBondContact O-CB 3.34Å; V534-N538 PolarHBondContact O-N 3.03Å; V534-N538 PolarHBondContact O-OD1 2.93Å; S535-N538 PolarHBondContact O-N 3.38Å; N538-S542 WeakPolarHBondContact O-CB 3.34Å; N538-S542 PolarHBondContact O-N 3.25Å; N538-S542 PolarHBondContact O-OG 3.1Å
539S91.6Very high89.9Confident48 Ų4859.2 Ų59.234%0.33629%0.294SS..Hα-helixtrans-66.5-43.1175.1-62.20000111.8S535 A536 K537 Y543S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.27Å; S535-S539 PolarHBondContact O-N 2.9Å; S535-S539 PolarHBondContact O-OG 3.32Å; A536-S539 PolarHBondContact O-N 2.98Å; K537-S539 PolarHBondContact O-N 2.8Å; S539-Y543 VanDerWaalsContact O-CB 3.3Å; S539-Y543 WeakPolarHBondContact O-CB 3.16Å; S539-Y543 PolarHBondContact O-N 3.38Å
540L94Very high90Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-61.4-50.4173.4174.360.3000110.8A536 K537 S542 Y543 V544 T574 W577 L578 Y589 K592 R593A536-L540 PolarHBondContact O-N 2.96Å; K537-L540 WeakPolarHBondContact O-CB 3.44Å; K537-L540 PolarHBondContact O-N 3.48Å; L540-S542 PolarHBondContact O-N 2.73Å; L540-Y543 PolarHBondContact O-N 3.37Å; L540-V544 HydrophobicContact CD1-CG2 4.13Å; L540-V544 HydrophobicContact CG-CG2 4.46Å; L540-V544 WeakPolarHBondContact O-CG2 3.24Å; L540-V544 PolarHBondContact O-N 2.78Å; L540-T574 HydrophobicContact CD1-CG2 3.8Å; L540-T574 HydrophobicContact CD2-CG2 4.18Å; L540-T574 HydrophobicContact CG-CG2 4.11Å; L540-W577 HydrophobicContact CD2-CZ3 4.28Å; L540-L578 HydrophobicContact CD2-CD1 4.4Å; L540-L578 HydrophobicContact CD2-CD2 3.9Å; L540-L578 HydrophobicContact CD2-CG 4.16Å; L540-L578 HydrophobicContact CG-CD1 4.27Å; L540-L578 HydrophobicContact CG-CD2 4.45Å; L540-Y589 HydrophobicContact CD2-CD1 4.04Å; L540-K592 HydrophobicContact CD2-CB 3.81Å; L540-K592 HydrophobicContact CD2-CG 3.97Å; L540-R593 HydrophobicContact CD1-CB 3.79Å; L540-R593 HydrophobicContact CD1-CG 4.02Å
541E92.3Very high90.3Very high66 Ų6655.8 Ų55.831%0.30828%0.28SS..Hα-helixtrans-59.3-47.5179.7-175.1169.5-163.900111.7K537 Y543 V544 Y545 L578K537-E541 WeakPolarHBondContact O-CB 3.33Å; K537-E541 PolarHBondContact O-N 2.84Å; E541-Y543 VanDerWaalsContact C-N 3.32Å; E541-Y543 PolarHBondContact O-N 3.17Å; E541-V544 PolarHBondContact O-N 2.86Å; E541-Y545 HydrophobicContact CG-CD2 3.73Å; E541-Y545 HydrophobicContact CG-CE2 3.36Å; E541-Y545 WeakPolarHBondContact O-CD2 3.44Å; E541-Y545 PolarHBondContact O-N 2.83Å; E541-L578 HydrophobicContact CB-CD1 4.02Å; E541-L578 HydrophobicContact CG-CD1 4.39Å
542S92.9Very high90.6Very high70 Ų7052.7 Ų52.749%0.4927%0.272SS..Hα-helixtrans-60.9-41.3176.3-60.10000111.9N538 L540 T546N538-S542 WeakPolarHBondContact O-CB 3.34Å; N538-S542 PolarHBondContact O-N 3.25Å; N538-S542 PolarHBondContact O-OG 3.1Å; L540-S542 PolarHBondContact O-N 2.73Å; S542-T546 VanDerWaalsContact O-CB 3.3Å; S542-T546 WeakPolarHBondContact O-CB 3.33Å; S542-T546 PolarHBondContact O-N 2.67Å; S542-T546 PolarHBondContact O-OG1 3.48Å
543Y93.3Very high90.5Very high53 Ų5351.6 Ų51.621%0.20828%0.276CS..Hα-helixtrans-64.6-44.5177.9-179-109.8000111.6S539 L540 E541 Y545 T546 M547 R593 L596 E597S539-Y543 VanDerWaalsContact O-CB 3.3Å; S539-Y543 WeakPolarHBondContact O-CB 3.16Å; S539-Y543 PolarHBondContact O-N 3.38Å; L540-Y543 PolarHBondContact O-N 3.37Å; E541-Y543 VanDerWaalsContact C-N 3.32Å; E541-Y543 PolarHBondContact O-N 3.17Å; Y543-Y545 PolarHBondContact O-N 2.8Å; Y543-T546 PolarHBondContact O-N 3.29Å; Y543-M547 HydrophobicContact CE1-CE 4.45Å; Y543-M547 HydrophobicContact CE2-CE 3.79Å; Y543-M547 WeakPolarHBondContact O-CB 3.45Å; Y543-M547 PolarHBondContact O-N 3.39Å; Y543-M547 WeakPolarHBondContact OH-CE 3.15Å; Y543-R593 HydrophobicContact CD1-CG 4.18Å; Y543-L596 HydrophobicContact CD1-CD2 3.66Å; Y543-L596 HydrophobicContact CD1-CG 4.11Å; Y543-L596 HydrophobicContact CE1-CB 4.21Å; Y543-L596 HydrophobicContact CE1-CD2 3.81Å; Y543-L596 HydrophobicContact CE1-CG 3.73Å; Y543-E597 HydrophobicContact CD1-CG 4.42Å; Y543-E597 HydrophobicContact CE1-CG 3.63Å; Y543-E597 HydrophobicContact CE2-CG 4.29Å
544V94.5Very high90.2Very high0 Ų057.7 Ų57.70%031%0.306CS..Hα-helixtrans-58.1-49.5176.8173.70000111.2L540 E541 M547 K548 C571 T574 I575 L596L540-V544 HydrophobicContact CD1-CG2 4.13Å; L540-V544 HydrophobicContact CG-CG2 4.46Å; L540-V544 WeakPolarHBondContact O-CG2 3.24Å; L540-V544 PolarHBondContact O-N 2.78Å; E541-V544 PolarHBondContact O-N 2.86Å; V544-M547 PolarHBondContact O-N 3.07Å; V544-K548 WeakPolarHBondContact O-CB 3.48Å; V544-K548 PolarHBondContact O-N 3.34Å; V544-C571 HydrophobicContact CG1-CB 3.94Å; V544-T574 HydrophobicContact CG2-CG2 3.49Å; V544-T574 VanDerWaalsContact CG2-CG2 3.49Å; V544-I575 HydrophobicContact CG1-CD1 3.91Å; V544-I575 HydrophobicContact CG1-CG1 3.55Å; V544-L596 HydrophobicContact CB-CD2 4.29Å; V544-L596 HydrophobicContact CG2-CD2 3.41Å; V544-L596 VanDerWaalsContact CG2-CD2 3.41Å
545Y92.9Very high90.2Very high117 Ų11755.6 Ų55.646%0.45929%0.293SS..Hα-helixtrans-67.5-41.5179.6-71.6-58000112.7E541 Y543 M547 K548 Q549 I575E541-Y545 HydrophobicContact CG-CD2 3.73Å; E541-Y545 HydrophobicContact CG-CE2 3.36Å; E541-Y545 WeakPolarHBondContact O-CD2 3.44Å; E541-Y545 PolarHBondContact O-N 2.83Å; Y543-Y545 PolarHBondContact O-N 2.8Å; Y545-M547 VanDerWaalsContact C-N 3.29Å; Y545-M547 PolarHBondContact O-N 2.62Å; Y545-K548 PolarHBondContact O-N 3.19Å; Y545-Q549 WeakPolarHBondContact O-CB 3.48Å; Y545-Q549 PolarHBondContact O-N 3.31Å; Y545-I575 HydrophobicContact CE1-CD1 4.08Å
546T92.1Very high90Very high65 Ų6557.8 Ų57.840%0.39929%0.294SS..Hα-helixtrans-58.9-44.3174.9-57.80000110.9S542 Y543 Q549 Q550S542-T546 VanDerWaalsContact O-CB 3.3Å; S542-T546 WeakPolarHBondContact O-CB 3.33Å; S542-T546 PolarHBondContact O-N 2.67Å; S542-T546 PolarHBondContact O-OG1 3.48Å; Y543-T546 PolarHBondContact O-N 3.29Å; T546-Q549 PolarHBondContact O-N 2.81Å; T546-Q550 HydrophobicContact CG2-CG 4.44Å; T546-Q550 WeakPolarHBondContact O-CB 3.46Å; T546-Q550 WeakPolarHBondContact O-CG 3.45Å; T546-Q550 PolarHBondContact O-N 3.25Å
547M90.9Very high89.7Confident5 Ų566.4 Ų66.43%0.02533%0.333CS..Hα-helixtrans-65.1-45.4-179.4-171.654.760.500111.9Y543 V544 Y545 Q549 Q550 V551 I567 C600 I604Y543-M547 HydrophobicContact CE1-CE 4.45Å; Y543-M547 HydrophobicContact CE2-CE 3.79Å; Y543-M547 WeakPolarHBondContact O-CB 3.45Å; Y543-M547 PolarHBondContact O-N 3.39Å; Y543-M547 WeakPolarHBondContact OH-CE 3.15Å; V544-M547 PolarHBondContact O-N 3.07Å; Y545-M547 VanDerWaalsContact C-N 3.29Å; Y545-M547 PolarHBondContact O-N 2.62Å; M547-Q549 VanDerWaalsContact C-N 3.32Å; M547-Q549 PolarHBondContact O-N 3.37Å; M547-Q550 PolarHBondContact O-N 3.18Å; M547-V551 WeakPolarHBondContact O-CG2 3.43Å; M547-V551 PolarHBondContact O-N 2.87Å; M547-V551 HydrophobicContact SD-CG2 4.2Å; M547-I567 HydrophobicContact CG-CG2 3.59Å; M547-I567 HydrophobicContact SD-CG2 4.18Å; M547-C600 HydrophobicContact CE-CB 3.78Å; M547-C600 HydrophobicContact CG-CB 4.33Å; M547-C600 HydrophobicContact SD-CB 3.93Å; M547-I604 HydrophobicContact CE-CD1 3.34Å; M547-I604 HydrophobicContact SD-CD1 3.36Å; M547-I604 WeakPolarHBondContact SD-CD1 3.34Å
548K89.5Confident89.5Confident46 Ų4671.5 Ų71.520%0.236%0.355CS..Hα-helixtrans-59.3-45.6175.8-168.9167.5-175.6160.50110.7V544 Y545 Q550 V551 E552 E572V544-K548 WeakPolarHBondContact O-CB 3.48Å; V544-K548 PolarHBondContact O-N 3.34Å; Y545-K548 PolarHBondContact O-N 3.19Å; K548-Q550 PolarHBondContact O-N 2.77Å; K548-V551 PolarHBondContact O-N 3.23Å; K548-E552 WeakPolarHBondContact CE-OE1 3.21Å; K548-E552 VanDerWaalsContact O-CB 3.32Å; K548-E552 WeakPolarHBondContact O-CB 3.36Å; K548-E552 WeakPolarHBondContact O-CG 3.5Å; K548-E552 PolarHBondContact O-N 2.86Å; K548-E572 IonicContact NZ-OE1 3.13Å; K548-E572 PolarHBondContact NZ-OE1 3.38Å; K548-E572 VanDerWaalsContact NZ-OE1 3.08Å
549Q91.5Very high89.3Confident147 Ų14768.3 Ų68.369%0.68734%0.338SS*.Hα-helixtrans-62.5-43.1177.2-171.2-179.220.100112.9Y545 T546 M547 G553Y545-Q549 WeakPolarHBondContact O-CB 3.48Å; Y545-Q549 PolarHBondContact O-N 3.31Å; T546-Q549 PolarHBondContact O-N 2.81Å; M547-Q549 VanDerWaalsContact C-N 3.32Å; M547-Q549 PolarHBondContact O-N 3.37Å; Q549-G553 WeakPolarHBondContact O-CA 3.35Å; Q549-G553 PolarHBondContact O-N 2.82Å
550Q89.1Confident89.1Confident71 Ų7169.2 Ų69.233%0.33234%0.343SS..Hα-helixtrans-64.1-44179.4-77.8179.9-17.300112.4T546 M547 K548 G553 E554 L555T546-Q550 HydrophobicContact CG2-CG 4.44Å; T546-Q550 WeakPolarHBondContact O-CB 3.46Å; T546-Q550 WeakPolarHBondContact O-CG 3.45Å; T546-Q550 PolarHBondContact O-N 3.25Å; M547-Q550 PolarHBondContact O-N 3.18Å; K548-Q550 PolarHBondContact O-N 2.77Å; Q550-G553 CarbonylContact O-C 3.48Å; Q550-G553 PolarHBondContact O-N 2.92Å; Q550-E554 PolarHBondContact O-N 2.87Å; Q550-L555 HydrophobicContact CB-CD1 4.17Å; Q550-L555 WeakPolarHBondContact O-CB 3.41Å; Q550-L555 PolarHBondContact O-N 3.11Å
551V88.5Confident88.8Confident0 Ų074 Ų740%037%0.365CS..Hα-helixtrans-74.5-31.9-177.7173.70000112.2M547 K548 K556 I559 R564 I567 I568M547-V551 WeakPolarHBondContact O-CG2 3.43Å; M547-V551 PolarHBondContact O-N 2.87Å; M547-V551 HydrophobicContact SD-CG2 4.2Å; K548-V551 PolarHBondContact O-N 3.23Å; V551-K556 WeakPolarHBondContact O-CA 3Å; V551-K556 WeakPolarHBondContact O-CB 3.43Å; V551-K556 PolarHBondContact O-N 2.71Å; V551-I559 HydrophobicContact CG2-CD1 4.05Å; V551-R564 HydrophobicContact CG1-CB 3.83Å; V551-R564 HydrophobicContact CG1-CG 3.44Å; V551-R564 VanDerWaalsContact CG1-CG 3.44Å; V551-I567 HydrophobicContact CG2-CB 4.32Å; V551-I567 HydrophobicContact CG2-CD1 3.83Å; V551-I567 HydrophobicContact CG2-CG2 3.84Å; V551-I568 HydrophobicContact CG1-CD1 4.43Å; V551-I568 HydrophobicContact CG1-CG1 4.26Å
552E87.7Confident88.7Confident93 Ų9374.5 Ų74.544%0.43538%0.376SS..Hα-helixtrans-83.6-16174.5-67.9178.3169.700113.2K548 K556 I568K548-E552 WeakPolarHBondContact CE-OE1 3.21Å; K548-E552 VanDerWaalsContact O-CB 3.32Å; K548-E552 WeakPolarHBondContact O-CB 3.36Å; K548-E552 WeakPolarHBondContact O-CG 3.5Å; K548-E552 PolarHBondContact O-N 2.86Å; E552-K556 WeakPolarHBondContact O-CD 3.46Å; E552-I568 HydrophobicContact CG-CD1 4.13Å
553G87.7Confident88.6Confident42 Ų4273.5 Ų73.543%0.43337%0.365SS..THydrogen-bonded Turntrans-106.5-112.2178.400000113.2Q549 Q550 L555 K556Q549-G553 WeakPolarHBondContact O-CA 3.35Å; Q549-G553 PolarHBondContact O-N 2.82Å; Q550-G553 CarbonylContact O-C 3.48Å; Q550-G553 PolarHBondContact O-N 2.92Å; G553-L555 VanDerWaalsContact C-N 3.26Å; G553-L555 PolarHBondContact O-N 3.36Å; G553-K556 WeakPolarHBondContact O-CB 3.36Å; G553-K556 PolarHBondContact O-N 2.92Å
554E82.8Confident88.4Confident156 Ų15672.8 Ų72.873%0.72936%0.362SS*.THydrogen-bonded Turntrans-59.3-29.8-168.2-62.6-175.6174.500115.2Q550Q550-E554 PolarHBondContact O-N 2.87Å
555L83.7Confident88.2Confident5 Ų577.2 Ų77.23%0.02638%0.383CS..THydrogen-bonded Turntrans-93.8-4.5-178.3-56.9178.6000112.6Q550 G553 E557 K558 I559 I604 V607Q550-L555 HydrophobicContact CB-CD1 4.17Å; Q550-L555 WeakPolarHBondContact O-CB 3.41Å; Q550-L555 PolarHBondContact O-N 3.11Å; G553-L555 VanDerWaalsContact C-N 3.26Å; G553-L555 PolarHBondContact O-N 3.36Å; L555-E557 VanDerWaalsContact C-N 3.28Å; L555-E557 PolarHBondContact O-N 2.87Å; L555-K558 HydrophobicContact CD2-CD 4.43Å; L555-K558 PolarHBondContact O-N 2.84Å; L555-I559 HydrophobicContact CB-CD1 3.47Å; L555-I559 VanDerWaalsContact CB-CD1 3.47Å; L555-I559 HydrophobicContact CB-CG1 3.94Å; L555-I559 HydrophobicContact CD1-CD1 3.99Å; L555-I559 HydrophobicContact CG-CD1 4.34Å; L555-I559 WeakPolarHBondContact O-CG1 3.4Å; L555-I559 PolarHBondContact O-N 2.93Å; L555-I604 HydrophobicContact CD1-CG1 4.44Å; L555-V607 HydrophobicContact CD2-CG1 4.3Å
556K83.6Confident88.2Confident110 Ų11075.2 Ų75.248%0.47838%0.383SS..THydrogen-bonded Turntrans-55.5-40.7-174.7-176177.3178.6176.70113.3V551 E552 G553V551-K556 WeakPolarHBondContact O-CA 3Å; V551-K556 WeakPolarHBondContact O-CB 3.43Å; V551-K556 PolarHBondContact O-N 2.71Å; E552-K556 WeakPolarHBondContact O-CD 3.46Å; G553-K556 WeakPolarHBondContact O-CB 3.36Å; G553-K556 PolarHBondContact O-N 2.92Å
557E84.8Confident88.2Confident191 Ų19172.1 Ų72.189%0.89336%0.364SS*.THydrogen-bonded Turntrans-88.8-12.5179.2-62.8-174.4170.500113.3L555L555-E557 VanDerWaalsContact C-N 3.28Å; L555-E557 PolarHBondContact O-N 2.87Å
558K86Confident88.3Confident140 Ų14072.6 Ų72.661%0.60937%0.366SS*.THydrogen-bonded Turntrans-99.6-16.9-175.3-60.5179.2-177.9170.70113.1L555 V607L555-K558 HydrophobicContact CD2-CD 4.43Å; L555-K558 PolarHBondContact O-N 2.84Å; K558-V607 HydrophobicContact CB-CG1 3.71Å
559I86Confident88.4Confident9 Ų973.2 Ų73.25%0.04638%0.376CS..SBendtrans-103.6133.1179-62.5173.8000109.1V551 L555 D563 R564 I603 V607V551-I559 HydrophobicContact CG2-CD1 4.05Å; L555-I559 HydrophobicContact CB-CD1 3.47Å; L555-I559 VanDerWaalsContact CB-CD1 3.47Å; L555-I559 HydrophobicContact CB-CG1 3.94Å; L555-I559 HydrophobicContact CD1-CD1 3.99Å; L555-I559 HydrophobicContact CG-CD1 4.34Å; L555-I559 WeakPolarHBondContact O-CG1 3.4Å; L555-I559 PolarHBondContact O-N 2.93Å; I559-D563 HydrophobicContact CG2-CB 3.64Å; I559-R564 HydrophobicContact CG2-CB 3.96Å; I559-I603 HydrophobicContact CG2-CG2 3.98Å; I559-V607 HydrophobicContact CD1-CG2 4.48Å; I559-V607 HydrophobicContact CG1-CG2 3.58Å
560P88Confident88.6Confident68 Ų6868.3 Ų68.344%0.44235%0.353SS..  trans-54.7139.2170.2-2433.8000112S562 D563 R564P560-S562 PolarHBondContact O-N 2.85Å; P560-S562 VanDerWaalsContact O-N 3.07Å; P560-D563 HydrophobicContact CB-CB 4.48Å; P560-D563 PolarHBondContact O-N 3.18Å; P560-R564 PolarHBondContact O-N 2.61Å
561E87.9Confident88.8Confident99 Ų9965 Ų6546%0.46334%0.337SS..Hα-helixtrans-50.6-40.6-178-176.166.5-147.800112.6D563 R564 Q565E561-D563 PolarHBondContact O-N 2.95Å; E561-R564 VanDerWaalsContact CD-NH1 3.33Å; E561-R564 PolarHBondContact O-N 3.15Å; E561-R564 IonicContact OE1-CZ 2.58Å; E561-R564 VanDerWaalsContact OE1-CZ 3.29Å; E561-R564 IonicContact OE1-NH1 2.94Å; E561-R564 PolarHBondContact OE1-NH1 3.38Å; E561-R564 IonicContact OE1-NH2 2.82Å; E561-R564 PolarHBondContact OE1-NH2 2.75Å; E561-R564 IonicContact OE2-CZ 2.8Å; E561-R564 IonicContact OE2-NH1 3.29Å; E561-R564 PolarHBondContact OE2-NH1 2.71Å; E561-R564 IonicContact OE2-NH2 3.16Å; E561-Q565 HydrophobicContact CG-CG 4.37Å; E561-Q565 VanDerWaalsContact O-CG 3.29Å; E561-Q565 WeakPolarHBondContact O-CG 3.37Å; E561-Q565 PolarHBondContact O-N 2.71Å; E561-Q565 PolarHBondContact OE1-NE2 2.82Å
562S89.5Confident89.1Confident77 Ų7769.1 Ų69.154%0.53836%0.357SS..Hα-helixtrans-59.1-46.4177.656.90000112.5P560 Q565 V566P560-S562 PolarHBondContact O-N 2.85Å; P560-S562 VanDerWaalsContact O-N 3.07Å; S562-Q565 PolarHBondContact O-N 2.83Å; S562-V566 VanDerWaalsContact O-CG2 3.32Å; S562-V566 WeakPolarHBondContact O-CG2 3.46Å; S562-V566 PolarHBondContact O-N 2.91Å
563D90.4Very high89.4Confident50 Ų5069 Ų6927%0.26736%0.359SS..Hα-helixtrans-70.2-37.5-178.7-73.30.4000110.5I559 P560 E561 V566 I567 I603I559-D563 HydrophobicContact CG2-CB 3.64Å; P560-D563 HydrophobicContact CB-CB 4.48Å; P560-D563 PolarHBondContact O-N 3.18Å; E561-D563 PolarHBondContact O-N 2.95Å; D563-V566 PolarHBondContact O-N 3.3Å; D563-I567 PolarHBondContact O-N 3.32Å; D563-I567 VanDerWaalsContact O-N 3.16Å; D563-I603 HydrophobicContact CB-CD1 4.15Å; D563-I603 HydrophobicContact CB-CG1 4.39Å; D563-I603 HydrophobicContact CB-CG2 3.77Å
564R89.6Confident89.7Confident37 Ų3767 Ų6714%0.1434%0.338CS..Hα-helixtrans-62.4-46.1174.7157.4162.8148.1-97.9-35111.8V551 I559 P560 E561 V566 I567 I568V551-R564 HydrophobicContact CG1-CB 3.83Å; V551-R564 HydrophobicContact CG1-CG 3.44Å; V551-R564 VanDerWaalsContact CG1-CG 3.44Å; I559-R564 HydrophobicContact CG2-CB 3.96Å; P560-R564 PolarHBondContact O-N 2.61Å; E561-R564 VanDerWaalsContact CD-NH1 3.33Å; E561-R564 PolarHBondContact O-N 3.15Å; E561-R564 IonicContact OE1-CZ 2.58Å; E561-R564 VanDerWaalsContact OE1-CZ 3.29Å; E561-R564 IonicContact OE1-NH1 2.94Å; E561-R564 PolarHBondContact OE1-NH1 3.38Å; E561-R564 IonicContact OE1-NH2 2.82Å; E561-R564 PolarHBondContact OE1-NH2 2.75Å; E561-R564 IonicContact OE2-CZ 2.8Å; E561-R564 IonicContact OE2-NH1 3.29Å; E561-R564 PolarHBondContact OE2-NH1 2.71Å; E561-R564 IonicContact OE2-NH2 3.16Å; R564-V566 VanDerWaalsContact C-N 3.28Å; R564-V566 PolarHBondContact O-N 3.49Å; R564-I567 PolarHBondContact O-N 2.92Å; R564-I568 HydrophobicContact CG-CD1 3.81Å; R564-I568 HydrophobicContact CG-CG1 4.5Å; R564-I568 WeakPolarHBondContact O-CG1 3.39Å; R564-I568 PolarHBondContact O-N 3.43Å
565Q90.9Very high90.3Very high93 Ų9361 Ų6144%0.43531%0.311SS..Hα-helixtrans-61.9-37.3178.5-71.1-64.7-21.300111.9E561 S562 I567 I568 S569E561-Q565 HydrophobicContact CG-CG 4.37Å; E561-Q565 VanDerWaalsContact O-CG 3.29Å; E561-Q565 WeakPolarHBondContact O-CG 3.37Å; E561-Q565 PolarHBondContact O-N 2.71Å; E561-Q565 PolarHBondContact OE1-NE2 2.82Å; S562-Q565 PolarHBondContact O-N 2.83Å; Q565-I567 PolarHBondContact O-N 3.42Å; Q565-I568 PolarHBondContact O-N 2.98Å; Q565-S569 VanDerWaalsContact O-CB 3.3Å; Q565-S569 WeakPolarHBondContact O-CB 3.32Å; Q565-S569 PolarHBondContact O-N 3.44Å
566V91.8Very high90.8Very high76 Ų7664.1 Ų64.146%0.46133%0.333SS..Hα-helixtrans-61-44.2174.6170.60000111.5S562 D563 R564 K570 V599S562-V566 VanDerWaalsContact O-CG2 3.32Å; S562-V566 WeakPolarHBondContact O-CG2 3.46Å; S562-V566 PolarHBondContact O-N 2.91Å; D563-V566 PolarHBondContact O-N 3.3Å; R564-V566 VanDerWaalsContact C-N 3.28Å; R564-V566 PolarHBondContact O-N 3.49Å; V566-K570 WeakPolarHBondContact O-CB 3.17Å; V566-K570 PolarHBondContact O-N 2.59Å; V566-K570 VanDerWaalsContact O-N 3.1Å; V566-V599 HydrophobicContact CG1-CG1 3.71Å
567I92.2Very high91.3Very high0 Ų061.3 Ų61.30%032%0.319CS..Hα-helixtrans-65.2-49.2177.9-65.4169.9000111.1M547 V551 D563 R564 Q565 S569 K570 C571 I603M547-I567 HydrophobicContact CG-CG2 3.59Å; M547-I567 HydrophobicContact SD-CG2 4.18Å; V551-I567 HydrophobicContact CG2-CB 4.32Å; V551-I567 HydrophobicContact CG2-CD1 3.83Å; V551-I567 HydrophobicContact CG2-CG2 3.84Å; D563-I567 PolarHBondContact O-N 3.32Å; D563-I567 VanDerWaalsContact O-N 3.16Å; R564-I567 PolarHBondContact O-N 2.92Å; Q565-I567 PolarHBondContact O-N 3.42Å; I567-S569 VanDerWaalsContact C-N 3.35Å; I567-S569 PolarHBondContact O-N 3.23Å; I567-K570 PolarHBondContact O-N 3.3Å; I567-C571 PolarHBondContact O-N 3.08Å; I567-C571 PolarHBondContact O-SG 3.42Å; I567-C571 VanDerWaalsContact O-SG 3.42Å; I567-I603 HydrophobicContact CD1-CB 4.11Å; I567-I603 HydrophobicContact CD1-CD1 3.99Å; I567-I603 HydrophobicContact CD1-CG2 3.8Å; I567-I603 HydrophobicContact CG1-CD1 3.8Å
568I92.5Very high91.6Very high14 Ų1452.5 Ų52.57%0.07228%0.279CS..Hα-helixtrans-59.5-47.3-178.3-68.3171.9000110.7V551 E552 R564 Q565 K570 C571 E572V551-I568 HydrophobicContact CG1-CD1 4.43Å; V551-I568 HydrophobicContact CG1-CG1 4.26Å; E552-I568 HydrophobicContact CG-CD1 4.13Å; R564-I568 HydrophobicContact CG-CD1 3.81Å; R564-I568 HydrophobicContact CG-CG1 4.5Å; R564-I568 WeakPolarHBondContact O-CG1 3.39Å; R564-I568 PolarHBondContact O-N 3.43Å; Q565-I568 PolarHBondContact O-N 2.98Å; I568-K570 VanDerWaalsContact C-N 3.34Å; I568-K570 PolarHBondContact O-N 2.66Å; I568-C571 WeakPolarHBondContact O-CB 3.5Å; I568-C571 PolarHBondContact O-N 3.39Å; I568-E572 HydrophobicContact CG2-CG 4.49Å; I568-E572 WeakPolarHBondContact O-CG 3.44Å; I568-E572 PolarHBondContact O-N 3.31Å
569S93.4Very high91.9Very high60 Ų6051 Ų5142%0.4228%0.277SS..Hα-helixtrans-58.9-44.2177.5175.30000111.7Q565 I567 C571 E572 D573Q565-S569 VanDerWaalsContact O-CB 3.3Å; Q565-S569 WeakPolarHBondContact O-CB 3.32Å; Q565-S569 PolarHBondContact O-N 3.44Å; I567-S569 VanDerWaalsContact C-N 3.35Å; I567-S569 PolarHBondContact O-N 3.23Å; S569-C571 VanDerWaalsContact C-N 3.34Å; S569-C571 PolarHBondContact O-N 2.94Å; S569-E572 PolarHBondContact O-N 3Å; S569-D573 VanDerWaalsContact O-CG 3.32Å; S569-D573 PolarHBondContact O-N 3.14Å
570K94.1Very high92.1Very high44 Ų4456.1 Ų56.119%0.19131%0.308CS..Hα-helixtrans-67.4-34.5178.2-169.667.8-177.4-179.70112.3V566 I567 I568 T574 E595 L596 V599V566-K570 WeakPolarHBondContact O-CB 3.17Å; V566-K570 PolarHBondContact O-N 2.59Å; V566-K570 VanDerWaalsContact O-N 3.1Å; I567-K570 PolarHBondContact O-N 3.3Å; I568-K570 VanDerWaalsContact C-N 3.34Å; I568-K570 PolarHBondContact O-N 2.66Å; K570-T574 WeakPolarHBondContact O-CB 3.41Å; K570-T574 PolarHBondContact O-N 3.42Å; K570-T574 VanDerWaalsContact O-N 3.1Å; K570-T574 PolarHBondContact O-OG1 2.85Å; K570-E595 IonicContact NZ-OE2 3.38Å; K570-E595 PolarHBondContact NZ-OE2 3.47Å; K570-L596 HydrophobicContact CB-CD1 3.96Å; K570-L596 HydrophobicContact CG-CD1 3.51Å; K570-V599 HydrophobicContact CB-CG1 4.47Å; K570-V599 HydrophobicContact CD-CG2 4.46Å; K570-V599 HydrophobicContact CG-CB 4.42Å; K570-V599 HydrophobicContact CG-CG2 4.27Å
571C94.2Very high92.2Very high0 Ų056.2 Ų56.20%030%0.303CS..Hα-helixtrans-62.5-47.5171.7-74.50000111.1V544 I567 I568 S569 T574 I575V544-C571 HydrophobicContact CG1-CB 3.94Å; I567-C571 PolarHBondContact O-N 3.08Å; I567-C571 PolarHBondContact O-SG 3.42Å; I567-C571 VanDerWaalsContact O-SG 3.42Å; I568-C571 WeakPolarHBondContact O-CB 3.5Å; I568-C571 PolarHBondContact O-N 3.39Å; S569-C571 VanDerWaalsContact C-N 3.34Å; S569-C571 PolarHBondContact O-N 2.94Å; C571-T574 CarbonylContact O-C 3.6Å; C571-T574 WeakPolarHBondContact O-CA 3.39Å; C571-T574 WeakPolarHBondContact O-CB 3.35Å; C571-T574 PolarHBondContact O-N 3.39Å; C571-T574 VanDerWaalsContact O-N 3.07Å; C571-I575 WeakPolarHBondContact O-CG1 3.29Å; C571-I575 PolarHBondContact O-N 3.36Å
572E94.6Very high92.1Very high88 Ų8855.7 Ų55.741%0.41130%0.301SS..Hα-helixtrans-64.8-39.6180-71.3177.517000113.1K548 I568 S569 T574 I575 S576K548-E572 IonicContact NZ-OE1 3.13Å; K548-E572 PolarHBondContact NZ-OE1 3.38Å; K548-E572 VanDerWaalsContact NZ-OE1 3.08Å; I568-E572 HydrophobicContact CG2-CG 4.49Å; I568-E572 WeakPolarHBondContact O-CG 3.44Å; I568-E572 PolarHBondContact O-N 3.31Å; S569-E572 PolarHBondContact O-N 3Å; E572-T574 PolarHBondContact O-N 3.47Å; E572-I575 PolarHBondContact O-N 2.83Å; E572-S576 WeakPolarHBondContact O-CB 3.38Å; E572-S576 PolarHBondContact O-N 3.13Å; E572-S576 PolarHBondContact O-OG 3.14Å
573D94.5Very high91.8Very high90 Ų9056.9 Ų56.948%0.48131%0.309SS..Hα-helixtrans-59.9-38.3171.1-72.5-14.9000111.4S569 W577S569-D573 VanDerWaalsContact O-CG 3.32Å; S569-D573 PolarHBondContact O-N 3.14Å; D573-W577 VanDerWaalsContact O-CB 3.28Å; D573-W577 WeakPolarHBondContact O-CB 3.48Å; D573-W577 PolarHBondContact O-N 2.88Å
574T94.5Very high91.7Very high0 Ų054.9 Ų54.90%030%0.299CS..Hα-helixtrans-72.5-38.9179.9-55.60000111.7L540 V544 K570 C571 E572 W577 L578 K592 L596L540-T574 HydrophobicContact CD1-CG2 3.8Å; L540-T574 HydrophobicContact CD2-CG2 4.18Å; L540-T574 HydrophobicContact CG-CG2 4.11Å; V544-T574 HydrophobicContact CG2-CG2 3.49Å; V544-T574 VanDerWaalsContact CG2-CG2 3.49Å; K570-T574 WeakPolarHBondContact O-CB 3.41Å; K570-T574 PolarHBondContact O-N 3.42Å; K570-T574 VanDerWaalsContact O-N 3.1Å; K570-T574 PolarHBondContact O-OG1 2.85Å; C571-T574 CarbonylContact O-C 3.6Å; C571-T574 WeakPolarHBondContact O-CA 3.39Å; C571-T574 WeakPolarHBondContact O-CB 3.35Å; C571-T574 PolarHBondContact O-N 3.39Å; C571-T574 VanDerWaalsContact O-N 3.07Å; E572-T574 PolarHBondContact O-N 3.47Å; T574-W577 PolarHBondContact O-N 2.85Å; T574-L578 WeakPolarHBondContact O-CB 3.45Å; T574-L578 WeakPolarHBondContact O-CG 3.36Å; T574-L578 PolarHBondContact O-N 2.63Å; T574-K592 HydrophobicContact CG2-CG 3.98Å; T574-L596 HydrophobicContact CG2-CD2 4.47Å
575I93.6Very high91.8Very high31 Ų3156.7 Ų56.716%0.15931%0.309CS..Hα-helixtrans-61.9-50.3172.4-64.5172.1000110V544 Y545 C571 E572 W577 L578 D579V544-I575 HydrophobicContact CG1-CD1 3.91Å; V544-I575 HydrophobicContact CG1-CG1 3.55Å; Y545-I575 HydrophobicContact CE1-CD1 4.08Å; C571-I575 WeakPolarHBondContact O-CG1 3.29Å; C571-I575 PolarHBondContact O-N 3.36Å; E572-I575 PolarHBondContact O-N 2.83Å; I575-W577 PolarHBondContact O-N 3.42Å; I575-L578 WeakPolarHBondContact O-CA 3.16Å; I575-L578 WeakPolarHBondContact O-CB 3.48Å; I575-L578 PolarHBondContact O-N 2.9Å; I575-D579 PolarHBondContact O-N 3.15Å
576S94.1Very high91.8Very high70 Ų7055.5 Ų55.549%0.4930%0.302SS..Hα-helixtrans-59.4-37.6178.8-56.40000111.5E572 V580E572-S576 WeakPolarHBondContact O-CB 3.38Å; E572-S576 PolarHBondContact O-N 3.13Å; E572-S576 PolarHBondContact O-OG 3.14Å; S576-V580 PolarHBondContact O-N 2.95Å
577W94.7Very high91.9Very high50 Ų5057.6 Ų57.619%0.18931%0.307CS..Hα-helixtrans-66.1-45.6173.8-176.590000111.8L540 D573 T574 I575 D579 V580 H581 A584 E588 Y589 K592L540-W577 HydrophobicContact CD2-CZ3 4.28Å; D573-W577 VanDerWaalsContact O-CB 3.28Å; D573-W577 WeakPolarHBondContact O-CB 3.48Å; D573-W577 PolarHBondContact O-N 2.88Å; T574-W577 PolarHBondContact O-N 2.85Å; I575-W577 PolarHBondContact O-N 3.42Å; W577-D579 VanDerWaalsContact C-N 3.32Å; W577-D579 PolarHBondContact O-N 2.87Å; W577-V580 PolarHBondContact O-N 2.88Å; W577-H581 AromaticContact CD1-CE1 3.49Å; W577-H581 VanDerWaalsContact CD1-CE1 3.49Å; W577-H581 AromaticContact CD1-ND1 3.44Å; W577-H581 HydrophobicContact CD2-CB 4.13Å; W577-H581 AromaticContact CD2-ND1 3.81Å; W577-H581 AromaticContact CE2-CG 3.57Å; W577-H581 AromaticContact CE2-ND1 3.61Å; W577-H581 HydrophobicContact CE3-CB 4.24Å; W577-H581 AromaticContact CG-ND1 3.72Å; W577-H581 HydrophobicContact CH2-CB 3.88Å; W577-H581 HydrophobicContact CZ2-CB 3.74Å; W577-H581 AromaticContact CZ2-CG 3.78Å; W577-H581 HydrophobicContact CZ3-CB 4.12Å; W577-H581 AromaticContact NE1-CD2 3.86Å; W577-H581 AromaticContact NE1-CE1 3.39Å; W577-H581 PolarHBondContact NE1-CE1 3.24Å; W577-H581 AromaticContact NE1-CG 3.66Å; W577-H581 AromaticContact NE1-ND1 3.35Å; W577-H581 PolarHBondContact NE1-ND1 3.29Å; W577-H581 AromaticContact NE1-NE2 3.7Å; W577-H581 WeakPolarHBondContact O-CB 3.43Å; W577-H581 PolarHBondContact O-N 2.83Å; W577-H581 PolarHBondContact O-ND1 2.85Å; W577-A584 HydrophobicContact CH2-CB 3.79Å; W577-A584 HydrophobicContact CZ2-CB 4.26Å; W577-E588 HydrophobicContact CH2-CB 4.22Å; W577-E588 HydrophobicContact CZ2-CB 4.39Å; W577-Y589 AromaticContact CH2-CD1 3.93Å; W577-Y589 HydrophobicContact CH2-CD1 3.93Å; W577-Y589 AromaticContact CH2-CE1 3.95Å; W577-Y589 HydrophobicContact CH2-CE1 3.95Å; W577-Y589 AromaticContact CZ3-CD1 3.6Å; W577-Y589 HydrophobicContact CZ3-CD1 3.6Å; W577-Y589 AromaticContact CZ3-CE1 3.63Å; W577-Y589 HydrophobicContact CZ3-CE1 3.63Å; W577-K592 HydrophobicContact CD2-CD 4.22Å; W577-K592 HydrophobicContact CD2-CG 4.3Å; W577-K592 HydrophobicContact CE3-CD 4.46Å; W577-K592 HydrophobicContact CE3-CG 4.04Å; W577-K592 HydrophobicContact CG-CD 4.43Å; W577-K592 HydrophobicContact CZ3-CB 4.42Å; W577-K592 HydrophobicContact CZ3-CG 4.36Å
578L92.3Very high92Very high7 Ų760.9 Ų60.94%0.03732%0.322CS..Hα-helixtrans-56.3-45.5176.3-84169.1000111.3K537 L540 E541 T574 I575 V580 H581 Q582 Y589K537-L578 HydrophobicContact CG-CD2 3.95Å; L540-L578 HydrophobicContact CD2-CD1 4.4Å; L540-L578 HydrophobicContact CD2-CD2 3.9Å; L540-L578 HydrophobicContact CD2-CG 4.16Å; L540-L578 HydrophobicContact CG-CD1 4.27Å; L540-L578 HydrophobicContact CG-CD2 4.45Å; E541-L578 HydrophobicContact CB-CD1 4.02Å; E541-L578 HydrophobicContact CG-CD1 4.39Å; T574-L578 WeakPolarHBondContact O-CB 3.45Å; T574-L578 WeakPolarHBondContact O-CG 3.36Å; T574-L578 PolarHBondContact O-N 2.63Å; I575-L578 WeakPolarHBondContact O-CA 3.16Å; I575-L578 WeakPolarHBondContact O-CB 3.48Å; I575-L578 PolarHBondContact O-N 2.9Å; L578-V580 VanDerWaalsContact C-N 3.27Å; L578-V580 PolarHBondContact O-N 3.45Å; L578-H581 CarbonylContact O-C 3.55Å; L578-H581 PolarHBondContact O-N 2.79Å; L578-Q582 PolarHBondContact O-N 2.85Å; L578-Q582 PolarHBondContact O-NE2 3.26Å; L578-Y589 HydrophobicContact CD2-CD1 4.03Å; L578-Y589 HydrophobicContact CD2-CE1 3.78Å
579D91.2Very high92.1Very high108 Ų10860.2 Ų60.258%0.57832%0.319SS*.Hα-helixtrans-58.4-37.4-179.2-71.7-20.3000112.8I575 W577I575-D579 PolarHBondContact O-N 3.15Å; W577-D579 VanDerWaalsContact C-N 3.32Å; W577-D579 PolarHBondContact O-N 2.87Å
580V91Very high92.2Very high116 Ų11661 Ų6170%0.70332%0.316SS*.Hα-helixtrans-84.1-31178.7-179.90000112.1S576 W577 L578S576-V580 PolarHBondContact O-N 2.95Å; W577-V580 PolarHBondContact O-N 2.88Å; L578-V580 VanDerWaalsContact C-N 3.27Å; L578-V580 PolarHBondContact O-N 3.45Å
581H90.1Very high92.3Very high70 Ų7061.7 Ų61.732%0.32433%0.326SS..  trans-109.851.5-171.1-59.481.7000112.4W577 L578 S583 A584 Y589W577-H581 AromaticContact CD1-CE1 3.49Å; W577-H581 VanDerWaalsContact CD1-CE1 3.49Å; W577-H581 AromaticContact CD1-ND1 3.44Å; W577-H581 HydrophobicContact CD2-CB 4.13Å; W577-H581 AromaticContact CD2-ND1 3.81Å; W577-H581 AromaticContact CE2-CG 3.57Å; W577-H581 AromaticContact CE2-ND1 3.61Å; W577-H581 HydrophobicContact CE3-CB 4.24Å; W577-H581 AromaticContact CG-ND1 3.72Å; W577-H581 HydrophobicContact CH2-CB 3.88Å; W577-H581 HydrophobicContact CZ2-CB 3.74Å; W577-H581 AromaticContact CZ2-CG 3.78Å; W577-H581 HydrophobicContact CZ3-CB 4.12Å; W577-H581 AromaticContact NE1-CD2 3.86Å; W577-H581 AromaticContact NE1-CE1 3.39Å; W577-H581 PolarHBondContact NE1-CE1 3.24Å; W577-H581 AromaticContact NE1-CG 3.66Å; W577-H581 AromaticContact NE1-ND1 3.35Å; W577-H581 PolarHBondContact NE1-ND1 3.29Å; W577-H581 AromaticContact NE1-NE2 3.7Å; W577-H581 WeakPolarHBondContact O-CB 3.43Å; W577-H581 PolarHBondContact O-N 2.83Å; W577-H581 PolarHBondContact O-ND1 2.85Å; L578-H581 CarbonylContact O-C 3.55Å; L578-H581 PolarHBondContact O-N 2.79Å; H581-S583 PolarHBondContact O-N 3.03Å; H581-A584 HydrophobicContact CB-CB 4.07Å; H581-A584 PolarHBondContact O-N 3.41Å; H581-Y589 PolarHBondContact O-OH 2.85Å
582Q85.2Confident92.3Very high89 Ų8963.2 Ų63.242%0.41633%0.333SS..THydrogen-bonded Turntrans-66-21-179-64-73.8-47.500113.6R533 L578 Y589R533-Q582 PolarHBondContact NH1-O 3.48Å; R533-Q582 VanDerWaalsContact NH1-O 3.15Å; L578-Q582 PolarHBondContact O-N 2.85Å; L578-Q582 PolarHBondContact O-NE2 3.26Å; Q582-Y589 VanDerWaalsContact C-OH 3.25Å; Q582-Y589 PolarHBondContact O-OH 2.9Å; Q582-Y589 VanDerWaalsContact O-OH 3.11Å
583S83.3Confident92.3Very high102 Ų10263.1 Ų63.171%0.71333%0.329SS*.THydrogen-bonded Turntrans-111.813.9-17956.70000114.2H581H581-S583 PolarHBondContact O-N 3.03Å
584A88.8Confident92.3Very high7 Ų763.3 Ų63.36%0.05833%0.327CS..  trans-61.1156.7176.100000112.3R533 W577 H581 E588 Y589R533-A584 WeakPolarHBondContact CD-O 3.06Å; R533-A584 WeakPolarHBondContact CG-O 3.37Å; R533-A584 PolarHBondContact NH1-O 2.9Å; R533-A584 VanDerWaalsContact NH1-O 3.17Å; W577-A584 HydrophobicContact CH2-CB 3.79Å; W577-A584 HydrophobicContact CZ2-CB 4.26Å; H581-A584 HydrophobicContact CB-CB 4.07Å; H581-A584 PolarHBondContact O-N 3.41Å; A584-E588 WeakPolarHBondContact CA-OE2 3.44Å; A584-E588 HydrophobicContact CB-CB 4.09Å; A584-E588 WeakPolarHBondContact CB-OE2 3.35Å; A584-Y589 HydrophobicContact CB-CE1 4.08Å; A584-Y589 HydrophobicContact CB-CE2 4.18Å; A584-Y589 PolarHBondContact N-OH 2.9Å; A584-Y589 WeakPolarHBondContact O-CE2 3.15Å
585E90Very high92.3Very high75 Ų7566.7 Ų66.735%0.3534%0.343SS..  trans-75.1158.3179.1-69.8-73.9157.400111.8K529 H587 E588 Y589K529-E585 WeakPolarHBondContact CE-OE2 3.25Å; K529-E585 IonicContact NZ-OE1 2.77Å; K529-E585 IonicContact NZ-OE2 2.54Å; K529-E585 PolarHBondContact NZ-OE2 2.78Å; E585-H587 VanDerWaalsContact C-N 3.3Å; E585-H587 WeakPolarHBondContact CB-ND1 3.43Å; E585-H587 PolarHBondContact O-N 3.01Å; E585-E588 HydrophobicContact CB-CG 4.36Å; E585-E588 PolarHBondContact N-OE2 3.08Å; E585-E588 WeakPolarHBondContact O-CB 3.31Å; E585-E588 PolarHBondContact O-N 2.87Å; E585-Y589 PolarHBondContact O-N 2.97Å
586K92Very high92.3Very high68 Ų6865.2 Ų65.230%0.29634%0.335SS..Hα-helixtrans-49.5-48.4-178.2-179.6-176.8-177.3171.50112.8D532 R533 A536 E588 Y589 E590D532-K586 HydrophobicContact CB-CD 4.15Å; D532-K586 IonicContact OD2-NZ 2.61Å; D532-K586 PolarHBondContact OD2-NZ 2.82Å; R533-K586 HydrophobicContact CB-CB 4.46Å; A536-K586 HydrophobicContact CB-CG 3.91Å; K586-E588 VanDerWaalsContact C-N 3.26Å; K586-E588 PolarHBondContact O-N 2.89Å; K586-Y589 PolarHBondContact O-N 2.79Å; K586-E590 WeakPolarHBondContact CE-OE1 3.09Å; K586-E590 HydrophobicContact CG-CG 4.47Å; K586-E590 WeakPolarHBondContact O-CG 3.5Å; K586-E590 PolarHBondContact O-N 3.12Å
587H94.5Very high92.3Very high120 Ų12064.7 Ų64.756%0.55633%0.325SS*.Hα-helixtrans-65.8-26.9-177.872.6-82.1000113E585 S591E585-H587 VanDerWaalsContact C-N 3.3Å; E585-H587 WeakPolarHBondContact CB-ND1 3.43Å; E585-H587 PolarHBondContact O-N 3.01Å; H587-S591 WeakPolarHBondContact O-CB 3.28Å; H587-S591 PolarHBondContact O-N 2.99Å
588E94.4Very high92.3Very high70 Ų7069 Ų6933%0.32735%0.345SS..Hα-helixtrans-71.2-42.7175.4-61.2-179.489.700110.2W577 A584 E585 K586 K592W577-E588 HydrophobicContact CH2-CB 4.22Å; W577-E588 HydrophobicContact CZ2-CB 4.39Å; A584-E588 WeakPolarHBondContact CA-OE2 3.44Å; A584-E588 HydrophobicContact CB-CB 4.09Å; A584-E588 WeakPolarHBondContact CB-OE2 3.35Å; E585-E588 HydrophobicContact CB-CG 4.36Å; E585-E588 PolarHBondContact N-OE2 3.08Å; E585-E588 WeakPolarHBondContact O-CB 3.31Å; E585-E588 PolarHBondContact O-N 2.87Å; K586-E588 VanDerWaalsContact C-N 3.26Å; K586-E588 PolarHBondContact O-N 2.89Å; E588-K592 VanDerWaalsContact O-CB 3.29Å; E588-K592 WeakPolarHBondContact O-CB 3.44Å; E588-K592 PolarHBondContact O-N 2.76Å
589Y94.8Very high92.2Very high0 Ų070.6 Ų70.60%036%0.355CS..Hα-helixtrans-63.3-44.3173.1-65.8-55.2000112.2R533 K537 L540 W577 L578 H581 Q582 A584 E585 K586 K592 R593R533-Y589 HydrophobicContact CG-CD2 4.32Å; R533-Y589 HydrophobicContact CG-CE2 4Å; K537-Y589 HydrophobicContact CB-CD1 4.09Å; K537-Y589 HydrophobicContact CB-CD2 3.82Å; K537-Y589 HydrophobicContact CB-CE1 3.98Å; K537-Y589 HydrophobicContact CB-CE2 3.64Å; K537-Y589 HydrophobicContact CB-CG 4.05Å; K537-Y589 HydrophobicContact CD-CE1 4.36Å; K537-Y589 HydrophobicContact CD-CE2 4.48Å; K537-Y589 HydrophobicContact CG-CD1 4.18Å; K537-Y589 HydrophobicContact CG-CE1 3.72Å; K537-Y589 HydrophobicContact CG-CE2 4.15Å; L540-Y589 HydrophobicContact CD2-CD1 4.04Å; W577-Y589 AromaticContact CH2-CD1 3.93Å; W577-Y589 HydrophobicContact CH2-CD1 3.93Å; W577-Y589 AromaticContact CH2-CE1 3.95Å; W577-Y589 HydrophobicContact CH2-CE1 3.95Å; W577-Y589 AromaticContact CZ3-CD1 3.6Å; W577-Y589 HydrophobicContact CZ3-CD1 3.6Å; W577-Y589 AromaticContact CZ3-CE1 3.63Å; W577-Y589 HydrophobicContact CZ3-CE1 3.63Å; L578-Y589 HydrophobicContact CD2-CD1 4.03Å; L578-Y589 HydrophobicContact CD2-CE1 3.78Å; H581-Y589 PolarHBondContact O-OH 2.85Å; Q582-Y589 VanDerWaalsContact C-OH 3.25Å; Q582-Y589 PolarHBondContact O-OH 2.9Å; Q582-Y589 VanDerWaalsContact O-OH 3.11Å; A584-Y589 HydrophobicContact CB-CE1 4.08Å; A584-Y589 HydrophobicContact CB-CE2 4.18Å; A584-Y589 PolarHBondContact N-OH 2.9Å; A584-Y589 WeakPolarHBondContact O-CE2 3.15Å; E585-Y589 PolarHBondContact O-N 2.97Å; K586-Y589 PolarHBondContact O-N 2.79Å; Y589-K592 PolarHBondContact O-N 2.93Å; Y589-R593 WeakPolarHBondContact O-CB 3.48Å; Y589-R593 PolarHBondContact O-N 3.03Å
590E95.1Very high92.2Very high77 Ų7765.4 Ų65.436%0.3633%0.327SS..Hα-helixtrans-63.6-46.5177.4-71.6173.2163.800111.4A536 K586 K592 R593 E594A536-E590 HydrophobicContact CB-CG 4.28Å; K586-E590 WeakPolarHBondContact CE-OE1 3.09Å; K586-E590 HydrophobicContact CG-CG 4.47Å; K586-E590 WeakPolarHBondContact O-CG 3.5Å; K586-E590 PolarHBondContact O-N 3.12Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.45Å; E590-R593 WeakPolarHBondContact O-CB 3.22Å; E590-R593 PolarHBondContact O-N 2.79Å; E590-R593 VanDerWaalsContact O-N 3.12Å; E590-E594 PolarHBondContact O-N 2.76Å
591S95.3Very high92.1Very high58 Ų5862 Ų6241%0.40631%0.311SS..Hα-helixtrans-59.6-41.8175-177.20000111.5H587 R593 E594 E595H587-S591 WeakPolarHBondContact O-CB 3.28Å; H587-S591 PolarHBondContact O-N 2.99Å; S591-R593 VanDerWaalsContact C-N 3.31Å; S591-R593 PolarHBondContact O-N 2.74Å; S591-E594 PolarHBondContact O-N 2.92Å; S591-E595 WeakPolarHBondContact O-CG 3.5Å; S591-E595 PolarHBondContact O-N 2.93Å
592K95.1Very high92Very high31 Ų3161.7 Ų61.714%0.13532%0.315CS..Hα-helixtrans-66.6-34.9177.3-162.372.3-172.3167.50112.1L540 T574 W577 E588 Y589 E590 E595 L596L540-K592 HydrophobicContact CD2-CB 3.81Å; L540-K592 HydrophobicContact CD2-CG 3.97Å; T574-K592 HydrophobicContact CG2-CG 3.98Å; W577-K592 HydrophobicContact CD2-CD 4.22Å; W577-K592 HydrophobicContact CD2-CG 4.3Å; W577-K592 HydrophobicContact CE3-CD 4.46Å; W577-K592 HydrophobicContact CE3-CG 4.04Å; W577-K592 HydrophobicContact CG-CD 4.43Å; W577-K592 HydrophobicContact CZ3-CB 4.42Å; W577-K592 HydrophobicContact CZ3-CG 4.36Å; E588-K592 VanDerWaalsContact O-CB 3.29Å; E588-K592 WeakPolarHBondContact O-CB 3.44Å; E588-K592 PolarHBondContact O-N 2.76Å; Y589-K592 PolarHBondContact O-N 2.93Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.45Å; K592-E595 IonicContact NZ-OE2 2.72Å; K592-E595 PolarHBondContact NZ-OE2 3.04Å; K592-E595 PolarHBondContact O-N 3.21Å; K592-L596 PolarHBondContact O-N 3.3Å; K592-L596 VanDerWaalsContact O-N 3.17Å
593R94.3Very high92Very high87 Ų8758.3 Ų58.333%0.32830%0.3SS..Hα-helixtrans-64.3-47.4172.4-157.3-176.382.9-161.3-2.3111.3L540 Y543 Y589 E590 S591 E595 L596 E597L540-R593 HydrophobicContact CD1-CB 3.79Å; L540-R593 HydrophobicContact CD1-CG 4.02Å; Y543-R593 HydrophobicContact CD1-CG 4.18Å; Y589-R593 WeakPolarHBondContact O-CB 3.48Å; Y589-R593 PolarHBondContact O-N 3.03Å; E590-R593 WeakPolarHBondContact O-CB 3.22Å; E590-R593 PolarHBondContact O-N 2.79Å; E590-R593 VanDerWaalsContact O-N 3.12Å; S591-R593 VanDerWaalsContact C-N 3.31Å; S591-R593 PolarHBondContact O-N 2.74Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 3.39Å; R593-L596 PolarHBondContact O-N 3.17Å; R593-L596 VanDerWaalsContact O-N 3.14Å; R593-E597 IonicContact CZ-OE1 3.77Å; R593-E597 IonicContact NE-OE1 3.61Å; R593-E597 PolarHBondContact NE-OE1 2.59Å; R593-E597 IonicContact NH2-OE1 3.47Å; R593-E597 WeakPolarHBondContact O-CB 3.49Å; R593-E597 WeakPolarHBondContact O-CG 3.46Å; R593-E597 PolarHBondContact O-N 3.02Å
594E94.9Very high92.1Very high93 Ų9354.5 Ų54.544%0.43527%0.271SS..Hα-helixtrans-61-39.2176.6-72.4-175.1-167.600112.6E590 S591 L596 E597 K598E590-E594 PolarHBondContact O-N 2.76Å; S591-E594 PolarHBondContact O-N 2.92Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 3.43Å; E594-E597 PolarHBondContact O-N 3.3Å; E594-K598 VanDerWaalsContact O-CB 3.32Å; E594-K598 WeakPolarHBondContact O-CB 3.46Å; E594-K598 WeakPolarHBondContact O-CD 3.43Å; E594-K598 WeakPolarHBondContact O-CG 3.47Å; E594-K598 PolarHBondContact O-N 3Å; E594-K598 IonicContact OE2-NZ 3.36Å; E594-K598 PolarHBondContact OE2-NZ 3.33Å
595E94Very high91.9Very high72 Ų7257.3 Ų57.334%0.33629%0.288SS..Hα-helixtrans-59-43.4173.8-80.3-179.7-153.200112K570 S591 K592 R593 V599K570-E595 IonicContact NZ-OE2 3.38Å; K570-E595 PolarHBondContact NZ-OE2 3.47Å; S591-E595 WeakPolarHBondContact O-CG 3.5Å; S591-E595 PolarHBondContact O-N 2.93Å; K592-E595 IonicContact NZ-OE2 2.72Å; K592-E595 PolarHBondContact NZ-OE2 3.04Å; K592-E595 PolarHBondContact O-N 3.21Å; R593-E595 VanDerWaalsContact C-N 3.32Å; R593-E595 PolarHBondContact O-N 3.39Å; E595-V599 PolarHBondContact O-N 2.82Å
596L94Very high91.6Very high0 Ų060.2 Ų60.20%030%0.299CS..Hα-helixtrans-69.8-45.2178-177.260.9000110.8Y543 V544 K570 T574 K592 R593 E594 K598 V599 C600Y543-L596 HydrophobicContact CD1-CD2 3.66Å; Y543-L596 HydrophobicContact CD1-CG 4.11Å; Y543-L596 HydrophobicContact CE1-CB 4.21Å; Y543-L596 HydrophobicContact CE1-CD2 3.81Å; Y543-L596 HydrophobicContact CE1-CG 3.73Å; V544-L596 HydrophobicContact CB-CD2 4.29Å; V544-L596 HydrophobicContact CG2-CD2 3.41Å; V544-L596 VanDerWaalsContact CG2-CD2 3.41Å; K570-L596 HydrophobicContact CB-CD1 3.96Å; K570-L596 HydrophobicContact CG-CD1 3.51Å; T574-L596 HydrophobicContact CG2-CD2 4.47Å; K592-L596 PolarHBondContact O-N 3.3Å; K592-L596 VanDerWaalsContact O-N 3.17Å; R593-L596 PolarHBondContact O-N 3.17Å; R593-L596 VanDerWaalsContact O-N 3.14Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 3.43Å; L596-K598 VanDerWaalsContact C-N 3.31Å; L596-K598 PolarHBondContact O-N 2.79Å; L596-V599 PolarHBondContact O-N 3.32Å; L596-V599 VanDerWaalsContact O-N 3.07Å; L596-C600 WeakPolarHBondContact O-CB 3.17Å; L596-C600 PolarHBondContact O-N 3.11Å; L596-C600 PolarHBondContact O-SG 3.04Å
597E93.7Very high91Very high59 Ų5958.1 Ų58.128%0.27629%0.292SS..Hα-helixtrans-58-40.7175.5-74.6173-169.600112.1Y543 R593 E594 V599 C600 A601Y543-E597 HydrophobicContact CD1-CG 4.42Å; Y543-E597 HydrophobicContact CE1-CG 3.63Å; Y543-E597 HydrophobicContact CE2-CG 4.29Å; R593-E597 IonicContact CZ-OE1 3.77Å; R593-E597 IonicContact NE-OE1 3.61Å; R593-E597 PolarHBondContact NE-OE1 2.59Å; R593-E597 IonicContact NH2-OE1 3.47Å; R593-E597 WeakPolarHBondContact O-CB 3.49Å; R593-E597 WeakPolarHBondContact O-CG 3.46Å; R593-E597 PolarHBondContact O-N 3.02Å; E594-E597 PolarHBondContact O-N 3.3Å; E597-V599 PolarHBondContact O-N 2.6Å; E597-C600 PolarHBondContact O-N 3.14Å; E597-A601 WeakPolarHBondContact O-CB 3.29Å; E597-A601 PolarHBondContact O-N 3.12Å
598K93.8Very high90.2Very high139 Ų13959.3 Ų59.360%0.60429%0.293SS*.Hα-helixtrans-61.4-28.9176.7-78.6165.4-171.6156.80112.9E594 L596 P602E594-K598 VanDerWaalsContact O-CB 3.32Å; E594-K598 WeakPolarHBondContact O-CB 3.46Å; E594-K598 WeakPolarHBondContact O-CD 3.43Å; E594-K598 WeakPolarHBondContact O-CG 3.47Å; E594-K598 PolarHBondContact O-N 3Å; E594-K598 IonicContact OE2-NZ 3.36Å; E594-K598 PolarHBondContact OE2-NZ 3.33Å; L596-K598 VanDerWaalsContact C-N 3.31Å; L596-K598 PolarHBondContact O-N 2.79Å; K598-P602 VanDerWaalsContact O-CD 3.28Å; K598-P602 WeakPolarHBondContact O-CD 3.44Å; K598-P602 WeakPolarHBondContact O-CG 3.29Å
599V91.5Very high89.2Confident41 Ų4162.8 Ų62.825%0.24831%0.309CS..Hα-helixtrans-84.2-47.2175.5176.80000110.7V566 K570 E595 L596 E597 I603V566-V599 HydrophobicContact CG1-CG1 3.71Å; K570-V599 HydrophobicContact CB-CG1 4.47Å; K570-V599 HydrophobicContact CD-CG2 4.46Å; K570-V599 HydrophobicContact CG-CB 4.42Å; K570-V599 HydrophobicContact CG-CG2 4.27Å; E595-V599 PolarHBondContact O-N 2.82Å; L596-V599 PolarHBondContact O-N 3.32Å; L596-V599 VanDerWaalsContact O-N 3.07Å; E597-V599 PolarHBondContact O-N 2.6Å; V599-I603 WeakPolarHBondContact O-CD1 3.48Å
600C89.8Confident87.6Confident0 Ų067.3 Ų67.30%035%0.346CS..Hα-helixtrans-76.1-43.6-172.5-62.60000113.3M547 L596 E597 I603 I604M547-C600 HydrophobicContact CE-CB 3.78Å; M547-C600 HydrophobicContact CG-CB 4.33Å; M547-C600 HydrophobicContact SD-CB 3.93Å; L596-C600 WeakPolarHBondContact O-CB 3.17Å; L596-C600 PolarHBondContact O-N 3.11Å; L596-C600 PolarHBondContact O-SG 3.04Å; E597-C600 PolarHBondContact O-N 3.14Å; C600-I603 PolarHBondContact O-N 2.97Å; C600-I604 HydrophobicContact CB-CD1 4.12Å; C600-I604 WeakPolarHBondContact O-CD1 3.44Å; C600-I604 VanDerWaalsContact O-CG1 3.29Å; C600-I604 WeakPolarHBondContact O-CG1 3.43Å; C600-I604 PolarHBondContact O-N 3.45Å
601A89.1Confident85.8Confident43 Ų4366.5 Ų66.536%0.35536%0.359SS..Hα-helixtrans-62.5-41.5-17100000114.4E597 I603 T605E597-A601 WeakPolarHBondContact O-CB 3.29Å; E597-A601 PolarHBondContact O-N 3.12Å; A601-I603 PolarHBondContact O-N 2.78Å; A601-T605 WeakPolarHBondContact O-CB 3.33Å; A601-T605 PolarHBondContact O-N 3.32Å; A601-T605 PolarHBondContact O-OG1 3.03Å
602P89Confident83.1Confident65 Ų6566.5 Ų66.542%0.42237%0.368SS..Hα-helixtrans-65.5-36.9176.9-22.834.8000113.1K598 K606K598-P602 VanDerWaalsContact O-CD 3.28Å; K598-P602 WeakPolarHBondContact O-CD 3.44Å; K598-P602 WeakPolarHBondContact O-CG 3.29Å; P602-K606 WeakPolarHBondContact O-CB 3.4Å; P602-K606 VanDerWaalsContact O-CG 3.28Å; P602-K606 WeakPolarHBondContact O-CG 3.29Å; P602-K606 PolarHBondContact O-N 2.95Å; P602-K606 VanDerWaalsContact O-N 3.1Å
603I85.8Confident80Confident17 Ų1773.1 Ų73.19%0.08740%0.401CS..Hα-helixtrans-67.2-49.7178.6-63.9170.9000109.4I559 D563 I567 V599 C600 A601 T605 K606 V607I559-I603 HydrophobicContact CG2-CG2 3.98Å; D563-I603 HydrophobicContact CB-CD1 4.15Å; D563-I603 HydrophobicContact CB-CG1 4.39Å; D563-I603 HydrophobicContact CB-CG2 3.77Å; I567-I603 HydrophobicContact CD1-CB 4.11Å; I567-I603 HydrophobicContact CD1-CD1 3.99Å; I567-I603 HydrophobicContact CD1-CG2 3.8Å; I567-I603 HydrophobicContact CG1-CD1 3.8Å; V599-I603 WeakPolarHBondContact O-CD1 3.48Å; C600-I603 PolarHBondContact O-N 2.97Å; A601-I603 PolarHBondContact O-N 2.78Å; I603-T605 PolarHBondContact O-N 3.39Å; I603-K606 PolarHBondContact O-N 2.9Å; I603-V607 WeakPolarHBondContact O-CG2 3.37Å; I603-V607 PolarHBondContact O-N 2.76Å
604I84.2Confident77Confident23 Ų2375.2 Ų75.212%0.11843%0.426CS..Hα-helixtrans-65.6-41.6-178.8-65.9166.4000111M547 L555 C600 K606 V607 Y608M547-I604 HydrophobicContact CE-CD1 3.34Å; M547-I604 HydrophobicContact SD-CD1 3.36Å; M547-I604 WeakPolarHBondContact SD-CD1 3.34Å; L555-I604 HydrophobicContact CD1-CG1 4.44Å; C600-I604 HydrophobicContact CB-CD1 4.12Å; C600-I604 WeakPolarHBondContact O-CD1 3.44Å; C600-I604 VanDerWaalsContact O-CG1 3.29Å; C600-I604 WeakPolarHBondContact O-CG1 3.43Å; C600-I604 PolarHBondContact O-N 3.45Å; I604-K606 VanDerWaalsContact C-N 3.35Å; I604-K606 PolarHBondContact O-N 2.91Å; I604-V607 WeakPolarHBondContact O-CB 3.19Å; I604-V607 PolarHBondContact O-N 2.89Å; I604-V607 VanDerWaalsContact O-N 3.11Å; I604-Y608 HydrophobicContact CG2-CD2 3.61Å; I604-Y608 HydrophobicContact CG2-CE2 3.49Å; I604-Y608 VanDerWaalsContact CG2-CE2 3.49Å; I604-Y608 VanDerWaalsContact O-CD2 3.27Å; I604-Y608 WeakPolarHBondContact O-CD2 3.3Å; I604-Y608 PolarHBondContact O-N 3.42Å
605T85.8Confident73.8Confident65 Ų6574 Ų7440%0.39944%0.439SS..Hα-helixtrans-63.3-40.3178.3-620000111.5A601 I603 V607 Y608 Q609A601-T605 WeakPolarHBondContact O-CB 3.33Å; A601-T605 PolarHBondContact O-N 3.32Å; A601-T605 PolarHBondContact O-OG1 3.03Å; I603-T605 PolarHBondContact O-N 3.39Å; T605-V607 VanDerWaalsContact C-N 3.28Å; T605-V607 PolarHBondContact O-N 2.91Å; T605-Y608 PolarHBondContact O-N 2.8Å; T605-Q609 HydrophobicContact CG2-CG 4.08Å; T605-Q609 VanDerWaalsContact O-CB 3.29Å; T605-Q609 WeakPolarHBondContact O-CB 3.22Å; T605-Q609 VanDerWaalsContact O-CG 3.32Å; T605-Q609 WeakPolarHBondContact O-CG 3.37Å; T605-Q609 PolarHBondContact O-N 3.1Å
606K83.3Confident70.7Confident136 Ų13674.2 Ų74.259%0.59146%0.46SS*.Hα-helixtrans-59.9-38.9173.2-78.6174.3-178.2178.10112P602 I603 I604 Q609 A610P602-K606 WeakPolarHBondContact O-CB 3.4Å; P602-K606 VanDerWaalsContact O-CG 3.28Å; P602-K606 WeakPolarHBondContact O-CG 3.29Å; P602-K606 PolarHBondContact O-N 2.95Å; P602-K606 VanDerWaalsContact O-N 3.1Å; I603-K606 PolarHBondContact O-N 2.9Å; I604-K606 VanDerWaalsContact C-N 3.35Å; I604-K606 PolarHBondContact O-N 2.91Å; K606-Q609 PolarHBondContact O-N 3.44Å; K606-A610 WeakPolarHBondContact O-CB 3.49Å; K606-A610 PolarHBondContact O-N 3.36Å
607V79.3Confident67.4Low24 Ų2482.5 Ų82.515%0.14550%0.501CS..Hα-helixtrans-66.7-43.1179178.10000110.8L555 K558 I559 I603 I604 T605 G611L555-V607 HydrophobicContact CD2-CG1 4.3Å; K558-V607 HydrophobicContact CB-CG1 3.71Å; I559-V607 HydrophobicContact CD1-CG2 4.48Å; I559-V607 HydrophobicContact CG1-CG2 3.58Å; I603-V607 WeakPolarHBondContact O-CG2 3.37Å; I603-V607 PolarHBondContact O-N 2.76Å; I604-V607 WeakPolarHBondContact O-CB 3.19Å; I604-V607 PolarHBondContact O-N 2.89Å; I604-V607 VanDerWaalsContact O-N 3.11Å; T605-V607 VanDerWaalsContact C-N 3.28Å; T605-V607 PolarHBondContact O-N 2.91Å; V607-G611 PolarHBondContact O-N 3.37Å
608Y77.2Confident64.3Low146 Ų14688.7 Ų88.757%0.57353%0.529SS*.Hα-helixtrans-71.5-37.1175.9-77.9-73.5000113.3I604 T605 G611 G612I604-Y608 HydrophobicContact CG2-CD2 3.61Å; I604-Y608 HydrophobicContact CG2-CE2 3.49Å; I604-Y608 VanDerWaalsContact CG2-CE2 3.49Å; I604-Y608 VanDerWaalsContact O-CD2 3.27Å; I604-Y608 WeakPolarHBondContact O-CD2 3.3Å; I604-Y608 PolarHBondContact O-N 3.42Å; T605-Y608 PolarHBondContact O-N 2.8Å; Y608-G611 CarbonylContact O-C 3.51Å; Y608-G611 WeakPolarHBondContact O-CA 3.46Å; Y608-G611 PolarHBondContact O-N 3.41Å; Y608-G611 VanDerWaalsContact O-N 3.1Å; Y608-G612 PolarHBondContact O-N 3.1Å
609Q72.9Confident61Low143 Ų14390.7 Ų90.767%0.66854%0.541SS*.Hα-helixtrans-71.8-36.4177.2-75.7-179.2-13.200112.6T605 K606 G611 G612T605-Q609 HydrophobicContact CG2-CG 4.08Å; T605-Q609 VanDerWaalsContact O-CB 3.29Å; T605-Q609 WeakPolarHBondContact O-CB 3.22Å; T605-Q609 VanDerWaalsContact O-CG 3.32Å; T605-Q609 WeakPolarHBondContact O-CG 3.37Å; T605-Q609 PolarHBondContact O-N 3.1Å; K606-Q609 PolarHBondContact O-N 3.44Å; Q609-G611 PolarHBondContact O-N 3.07Å; Q609-G612 PolarHBondContact O-N 3.36Å
610A61.8Low58.1Low94 Ų9492.9 Ų92.978%0.77756%0.563SS**Hα-helixtrans-63.5-21.8168.200000111.9K606K606-A610 WeakPolarHBondContact O-CB 3.49Å; K606-A610 PolarHBondContact O-N 3.36Å
611G57Low55.1Low61 Ų6198.4 Ų98.463%0.62960%0.602SS**THydrogen-bonded Turntrans-83.72170.800000115.7V607 Y608 Q609 M613V607-G611 PolarHBondContact O-N 3.37Å; Y608-G611 CarbonylContact O-C 3.51Å; Y608-G611 WeakPolarHBondContact O-CA 3.46Å; Y608-G611 PolarHBondContact O-N 3.41Å; Y608-G611 VanDerWaalsContact O-N 3.1Å; Q609-G611 PolarHBondContact O-N 3.07Å; G611-M613 PolarHBondContact O-N 3.26Å; G611-M613 VanDerWaalsContact O-N 3.15Å
612G38.7Very low52.1Low58 Ų58100 Ų10060%0.59862%0.622SS**  trans-76.692.6-17800000115.1Y608 Q609Y608-G612 PolarHBondContact O-N 3.1Å; Q609-G612 PolarHBondContact O-N 3.36Å
613M30.8Very low49.2Very low170 Ų170102.3 Ų102.384%0.83765%0.647SS**  trans59124.2160.5-78-80.3-137.900119.2G611G611-M613 PolarHBondContact O-N 3.26Å; G611-M613 VanDerWaalsContact O-N 3.15Å
614P31Very low46.5Very low131 Ų131105.1 Ų105.185%0.85168%0.68SS**  -126.5142.780.636.4-26.1000111.5
615G27.4Very low43.8Very low68 Ų68108 Ų10870%0.70172%0.716SS**  89.883.361.600000109.6
616G28.5Very low41.2Very low75 Ų75108.4 Ų108.477%0.77373%0.733SS**  trans-17560.7-173.800000114.6H618G616-H618 PolarHBondContact O-N 2.96Å
617M25.2Very low38.9Very low175 Ų175107.3 Ų107.386%0.86274%0.742SS**  trans-5.5115146.2-168.8163.9160.200115.5
618H27.6Very low36.9Very low189 Ų189109.9 Ų109.988%0.87577%0.773SS**  trans-158.8120136.2-101.5-64.3000110.7G616G616-H618 PolarHBondContact O-N 2.96Å
619E24.8Very low34.8Very low181 Ų181112.8 Ų112.885%0.84679%0.789SS**  trans-54.7135.9167.3-62.6169128.900111.5
620A31.2Very low32.9Very low87 Ų87108.5 Ų108.572%0.71978%0.783SS**  trans-170.694.5135.200000109.4
621S26.2Very low31.8Very low116 Ų116110.3 Ų110.381%0.81179%0.787SS**  32.3113.6129.656.80000118.8
622G25.9Very low30.7Very low76 Ų76113.9 Ų113.978%0.78480%0.797SS**  102.6117.211600000117.7
623A28.8Very low30.6Very low113 Ų113118.7 Ų118.793%0.93481%0.807SS**  trans77.9117.7148.700000118.5
624G28.3Very low30.9Very low77 Ų77119.1 Ų119.179%0.79481%0.807SS**  trans152.160.3160.800000113.9G626G624-G626 VanDerWaalsContact C-N 3.31Å; G624-G626 PolarHBondContact O-N 3.47Å
625G27.9Very low31Very low84 Ų84122 Ų12287%0.86681%0.809SS**  trans-65.290.6168.800000110.3S627G625-S627 PolarHBondContact O-N 3.32Å
626G30.3Very low31.7Very low73 Ų73125.2 Ų125.275%0.75382%0.815SS**  trans-76.392.6169.700000109.4G624 G628G624-G626 VanDerWaalsContact C-N 3.31Å; G624-G626 PolarHBondContact O-N 3.47Å; G626-G628 PolarHBondContact O-N 3.4Å
627S35.9Very low32.3Very low112 Ų112133 Ų13378%0.78384%0.839SS**  trans-57.6118.3162.141.80000108.5G625 K629G625-S627 PolarHBondContact O-N 3.32Å; S627-K629 PolarHBondContact O-N 2.78Å; S627-K629 VanDerWaalsContact O-N 3.1Å
628G36.4Very low32.7Very low78 Ų78130.9 Ų130.980%0.80484%0.838SS**  trans-54.3116178.100000110.4G626 G630G626-G628 PolarHBondContact O-N 3.4Å; G628-G630 PolarHBondContact O-N 2.85Å; G628-G630 VanDerWaalsContact O-N 3.13Å
629K33.5Very low32.9Very low207 Ų207127.8 Ų127.890%0.984%0.836SS**  trans-65.7108166.1-80.6-175.8172-176.10107.5S627S627-K629 PolarHBondContact O-N 2.78Å; S627-K629 VanDerWaalsContact O-N 3.1Å
630G33.5Very low33.4Very low54 Ų54124.9 Ų124.956%0.55784%0.835SS**PPolyproline II helixtrans-61.1161.5163.900000111.2G628 T632G628-G630 PolarHBondContact O-N 2.85Å; G628-G630 VanDerWaalsContact O-N 3.13Å; G630-T632 PolarHBondContact O-N 3.04Å
631P38Very low33.5Very low131 Ų131127.1 Ų127.185%0.85184%0.842SS**PPolyproline II helixtrans-65.1126.2-170.924.7-31.7000111.7
632T33.7Very low34Very low137 Ų137127.8 Ų127.884%0.8484%0.844SS**PPolyproline II helixtrans-77.3123.7171.333.20000110.1G630G630-T632 PolarHBondContact O-N 3.04Å
633I37.2Very low34.5Very low159 Ų159131.3 Ų131.382%0.81585%0.848SS**PPolyproline II helixtrans-86.2116171.6-63.6165.9000107E635I633-E635 PolarHBondContact O-N 3.05Å
634E37.1Very low34.9Very low178 Ų178132.6 Ų132.683%0.83284%0.842SS**  trans-78.5114.5169.3-81.6-177156.200108.9V636E634-V636 PolarHBondContact O-N 3.34Å
635E34Very low35.4Very low191 Ų191136.8 Ų136.889%0.89385%0.846SS**  trans-66.5123.2166.2-68.7-179.6160.200108.4I633I633-E635 PolarHBondContact O-N 3.05Å
636V41.7Very low36.1Very low136 Ų136141.3 Ų141.382%0.82484%0.844SS**  trans-103.7124.7171-166.70000107.2E634E634-V636 PolarHBondContact O-N 3.34Å
637D41.3Very low36.6Very low239 Ų239147.5 Ų147.5100%1.27885%0.852SS**  trans-420-176.1-70.7-43.2000116.6

Retrieved 637 of 637 residues in 231.2 ms (Link to these results)

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