A0A3Q0KQ85_SCHMA Loading...

Putative monoxygenase

AlphaFold DB , UniProt , Accession A0A3Q0KQ85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 472 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
1M91.7Very high95.3Very high34 Ų3413.5 Ų13.517%0.1679%0.086CC..  0-65.90-165.2-173.3-68.400112.8G3 F4 G5 V43 N97 V100 I101 V347 F351M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.36Å; M1-F4 WeakPolarHBondContact O-CB 3.34Å; M1-F4 PolarHBondContact O-N 3.24Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-G5 PolarHBondContact O-N 3Å; M1-V43 HydrophobicContact CE-CG1 4.01Å; M1-V43 HydrophobicContact CE-CG2 4.28Å; M1-N97 HydrophobicContact CE-CB 3.96Å; M1-N97 WeakPolarHBondContact CE-OD1 3.44Å; M1-V100 HydrophobicContact CE-CB 3.78Å; M1-V100 HydrophobicContact CE-CG1 4.07Å; M1-V100 HydrophobicContact CE-CG2 4.28Å; M1-V100 HydrophobicContact CG-CG1 3.95Å; M1-V100 HydrophobicContact SD-CB 4.13Å; M1-V100 HydrophobicContact SD-CG1 3.73Å; M1-I101 HydrophobicContact CB-CD1 4.22Å; M1-I101 HydrophobicContact CB-CG1 3.88Å; M1-I101 HydrophobicContact CE-CG1 4.42Å; M1-I101 HydrophobicContact CG-CG1 4.12Å; M1-V347 HydrophobicContact SD-CB 4.5Å; M1-V347 HydrophobicContact SD-CG2 3.34Å; M1-V347 WeakPolarHBondContact SD-CG2 3.44Å; M1-F351 HydrophobicContact CG-CE1 4.28Å; M1-F351 HydrophobicContact CG-CZ 3.93Å; M1-F351 HydrophobicContact SD-CE2 4.5Å; M1-F351 HydrophobicContact SD-CZ 3.94Å
2V96Very high94.9Very high25 Ų2517.3 Ų17.315%0.15212%0.12CC..Hα-helixtrans-56.8-41.5-177.3-179.40000112.5F4 G5 L6 V332 V354V2-F4 PolarHBondContact O-N 3.29Å; V2-G5 CarbonylContact O-C 3.51Å; V2-G5 WeakPolarHBondContact O-CA 3.24Å; V2-G5 PolarHBondContact O-N 3.17Å; V2-G5 VanDerWaalsContact O-N 3.12Å; V2-L6 PolarHBondContact O-N 2.83Å; V2-V332 HydrophobicContact CG1-CB 4.13Å; V2-V332 HydrophobicContact CG1-CG2 3.77Å; V2-V354 HydrophobicContact CG1-CG2 3.77Å
3G96.3Very high94.7Very high12 Ų1216.7 Ų16.712%0.12412%0.116CC..Hα-helixtrans-60.4-41.7175.500000114.3M1 G5 L6 A7M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.36Å; G3-G5 VanDerWaalsContact C-N 3.34Å; G3-L6 PolarHBondContact O-N 3.26Å; G3-A7 PolarHBondContact O-N 2.82Å
4F95.9Very high94.2Very high4 Ų428.1 Ų28.12%0.01816%0.163CC..Hα-helixtrans-63.2-40.7171.9-79.1-85.2000111.7M1 V2 L6 A7 A8 L23 E25 I101 L104 R105 L108 I119 Y121M1-F4 WeakPolarHBondContact O-CB 3.34Å; M1-F4 PolarHBondContact O-N 3.24Å; M1-F4 VanDerWaalsContact O-N 3.12Å; V2-F4 PolarHBondContact O-N 3.29Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 3.37Å; F4-A7 PolarHBondContact O-N 3.24Å; F4-A8 WeakPolarHBondContact O-CB 3.46Å; F4-A8 PolarHBondContact O-N 3.02Å; F4-L23 HydrophobicContact CD1-CD2 3.6Å; F4-L23 HydrophobicContact CD2-CD2 4.36Å; F4-L23 HydrophobicContact CE1-CD2 3.7Å; F4-L23 HydrophobicContact CE2-CD2 4.45Å; F4-L23 HydrophobicContact CG-CD2 3.94Å; F4-L23 HydrophobicContact CZ-CD2 4.13Å; F4-E25 HydrophobicContact CE2-CB 4.35Å; F4-E25 HydrophobicContact CE2-CG 4Å; F4-E25 WeakPolarHBondContact CE2-OE2 3.04Å; F4-E25 HydrophobicContact CZ-CB 4.25Å; F4-E25 HydrophobicContact CZ-CG 4.12Å; F4-I101 HydrophobicContact CD2-CG2 4.18Å; F4-I101 HydrophobicContact CE2-CG2 4.12Å; F4-L104 HydrophobicContact CB-CB 3.91Å; F4-L104 HydrophobicContact CB-CD1 3.96Å; F4-R105 HydrophobicContact CD1-CB 4.33Å; F4-R105 HydrophobicContact CE1-CB 4.07Å; F4-R105 HydrophobicContact CE1-CG 4.16Å; F4-L108 HydrophobicContact CD1-CD1 3.99Å; F4-I119 HydrophobicContact CE1-CD1 4.34Å; F4-I119 HydrophobicContact CE1-CG2 4.48Å; F4-Y121 HydrophobicContact CZ-CE1 4.14Å
5G96.5Very high93.9Very high0 Ų031.5 Ų31.50%018%0.175CC..Hα-helixtrans-59.9-43.517500000111.9M1 V2 G3 A8 V9M1-G5 PolarHBondContact O-N 3Å; V2-G5 CarbonylContact O-C 3.51Å; V2-G5 WeakPolarHBondContact O-CA 3.24Å; V2-G5 PolarHBondContact O-N 3.17Å; V2-G5 VanDerWaalsContact O-N 3.12Å; G3-G5 VanDerWaalsContact C-N 3.34Å; G5-A8 PolarHBondContact O-N 2.75Å; G5-V9 WeakPolarHBondContact O-CG2 3.33Å; G5-V9 PolarHBondContact O-N 3.49Å
6L97.3Very high93.7Very high22 Ų2230.1 Ų30.112%0.11517%0.166CC..Hα-helixtrans-61.3-50.5175.6-17860.5000112.1V2 G3 F4 A8 V9 A10 V161 V354 L357 V358V2-L6 PolarHBondContact O-N 2.83Å; G3-L6 PolarHBondContact O-N 3.26Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 3.37Å; L6-A8 VanDerWaalsContact C-N 3.29Å; L6-A8 PolarHBondContact O-N 2.97Å; L6-V9 PolarHBondContact O-N 3.42Å; L6-A10 WeakPolarHBondContact O-CB 3.41Å; L6-A10 PolarHBondContact O-N 3.35Å; L6-V161 HydrophobicContact CD2-CB 3.8Å; L6-V161 HydrophobicContact CD2-CG1 3.45Å; L6-V161 VanDerWaalsContact CD2-CG1 3.45Å; L6-V161 HydrophobicContact CD2-CG2 4.05Å; L6-V354 HydrophobicContact CB-CG1 4.24Å; L6-V354 HydrophobicContact CB-CG2 3.84Å; L6-V354 HydrophobicContact CD1-CB 4.48Å; L6-V354 HydrophobicContact CD1-CG1 4.01Å; L6-V354 HydrophobicContact CD1-CG2 4.32Å; L6-L357 HydrophobicContact CD1-CD2 4.18Å; L6-L357 HydrophobicContact CD2-CD2 4.4Å; L6-V358 HydrophobicContact CD1-CG2 3.76Å
7A95.7Very high93.3Very high4 Ų429.5 Ų29.53%0.03317%0.169CC..Hα-helixtrans-58.8-43179.200000111.2G3 F4 A11 I21 L23 L108G3-A7 PolarHBondContact O-N 2.82Å; F4-A7 PolarHBondContact O-N 3.24Å; A7-A11 WeakPolarHBondContact O-CB 3.04Å; A7-A11 PolarHBondContact O-N 3.49Å; A7-I21 HydrophobicContact CB-CG2 4.35Å; A7-L23 HydrophobicContact CB-CB 4.46Å; A7-L23 HydrophobicContact CB-CD2 4.09Å; A7-L108 HydrophobicContact CB-CD1 3.76Å; A7-L108 HydrophobicContact CB-CD2 4.28Å
8A95Very high92.9Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-65.9-46.8179.500000112.7F4 G5 L6 A11 A12 I56 L104 L108F4-A8 WeakPolarHBondContact O-CB 3.46Å; F4-A8 PolarHBondContact O-N 3.02Å; G5-A8 PolarHBondContact O-N 2.75Å; L6-A8 VanDerWaalsContact C-N 3.29Å; L6-A8 PolarHBondContact O-N 2.97Å; A8-A11 PolarHBondContact O-N 3.13Å; A8-A12 WeakPolarHBondContact O-CB 3.23Å; A8-A12 PolarHBondContact O-N 3.38Å; A8-I56 HydrophobicContact CB-CD1 3.93Å; A8-L104 HydrophobicContact CB-CD2 3.96Å; A8-L108 HydrophobicContact CB-CD2 4.09Å; A8-L108 HydrophobicContact CB-CG 4.3Å
9V95.8Very high92.8Very high22 Ų2240 Ų4013%0.13321%0.21CC..Hα-helixtrans-68.2-39.4178.81780000111.4G5 L6 A12 S13 M52 I56 V354 V358G5-V9 WeakPolarHBondContact O-CG2 3.33Å; G5-V9 PolarHBondContact O-N 3.49Å; L6-V9 PolarHBondContact O-N 3.42Å; V9-A12 PolarHBondContact O-N 2.83Å; V9-S13 PolarHBondContact O-N 2.89Å; V9-S13 VanDerWaalsContact O-N 3.13Å; V9-M52 HydrophobicContact CG2-CE 3.29Å; V9-M52 HydrophobicContact CG2-CG 3.83Å; V9-M52 HydrophobicContact CG2-SD 4.2Å; V9-I56 HydrophobicContact CG2-CG2 3.82Å; V9-V354 HydrophobicContact CB-CG1 3.92Å; V9-V354 HydrophobicContact CG1-CG1 4.4Å; V9-V354 HydrophobicContact CG2-CG1 3.99Å; V9-V358 HydrophobicContact CB-CG2 4.32Å; V9-V358 HydrophobicContact CG1-CB 4.01Å; V9-V358 HydrophobicContact CG1-CG1 3.95Å; V9-V358 HydrophobicContact CG1-CG2 3.9Å
10A94.7Very high92.9Very high10 Ų1045 Ų458%0.08324%0.237CC..Hα-helixtrans-66.2-37175.400000112L6 S13 L16 G17 I21 V358L6-A10 WeakPolarHBondContact O-CB 3.41Å; L6-A10 PolarHBondContact O-N 3.35Å; A10-S13 VanDerWaalsContact O-CB 3.31Å; A10-S13 WeakPolarHBondContact O-CB 3.36Å; A10-S13 PolarHBondContact O-N 3.03Å; A10-L16 HydrophobicContact CB-CB 4.44Å; A10-L16 HydrophobicContact CB-CD1 4.2Å; A10-L16 CarbonylContact O-C 3.53Å; A10-L16 WeakPolarHBondContact O-CB 3.49Å; A10-G17 PolarHBondContact O-N 3.16Å; A10-I21 HydrophobicContact CB-CD1 3.72Å; A10-V358 HydrophobicContact CB-CG2 4.19Å
11A93.1Very high93Very high15 Ų1544.5 Ų44.512%0.12423%0.234CC..Hα-helixtrans-68.8-35.3175.700000112.7A7 A8 S13 I21 L108 I111 V117A7-A11 WeakPolarHBondContact O-CB 3.04Å; A7-A11 PolarHBondContact O-N 3.49Å; A8-A11 PolarHBondContact O-N 3.13Å; A11-S13 VanDerWaalsContact C-N 3.28Å; A11-S13 PolarHBondContact O-N 2.77Å; A11-I21 HydrophobicContact CB-CD1 4.48Å; A11-L108 HydrophobicContact CB-CD2 4.31Å; A11-I111 HydrophobicContact CB-CD1 3.62Å; A11-V117 HydrophobicContact CB-CG2 3.58Å
12A91.5Very high93.2Very high59 Ų5946.1 Ų46.149%0.48824%0.243SC..Hα-helixtrans-74-17.2176.100000113.5A8 V9 I56A8-A12 WeakPolarHBondContact O-CB 3.23Å; A8-A12 PolarHBondContact O-N 3.38Å; V9-A12 PolarHBondContact O-N 2.83Å; A12-I56 HydrophobicContact CB-CG2 4.15Å
13S92.2Very high93.2Very high10 Ų1045.9 Ų45.97%0.0724%0.241CC..SBendtrans-64.7136.8177169.60000111.9V9 A10 A11 F15 L16 G17 E362V9-S13 PolarHBondContact O-N 2.89Å; V9-S13 VanDerWaalsContact O-N 3.13Å; A10-S13 VanDerWaalsContact O-CB 3.31Å; A10-S13 WeakPolarHBondContact O-CB 3.36Å; A10-S13 PolarHBondContact O-N 3.03Å; A11-S13 VanDerWaalsContact C-N 3.28Å; A11-S13 PolarHBondContact O-N 2.77Å; S13-F15 PolarHBondContact O-N 3.25Å; S13-F15 PolarHBondContact OG-N 3.19Å; S13-F15 VanDerWaalsContact OG-N 3.17Å; S13-L16 PolarHBondContact OG-N 3.47Å; S13-G17 WeakPolarHBondContact O-CA 3.44Å; S13-G17 PolarHBondContact O-N 2.93Å; S13-E362 WeakPolarHBondContact CB-OE1 3.23Å; S13-E362 VanDerWaalsContact OG-CD 3.3Å; S13-E362 VanDerWaalsContact OG-CG 3.28Å; S13-E362 WeakPolarHBondContact OG-CG 3.34Å; S13-E362 PolarHBondContact OG-OE1 2.72Å
14K88.1Confident93.1Very high177 Ų17747.6 Ų47.677%0.7725%0.247SC*.THydrogen-bonded Turntrans-64.4-28.4174.9-66-177.9-179.1177.80113.1
15F89.1Confident93.1Very high79 Ų7949.2 Ų49.235%0.34626%0.255SS..THydrogen-bonded Turntrans-96-46.7-177-60.7-76.2000111.3S13 E362 V365 F366S13-F15 PolarHBondContact O-N 3.25Å; S13-F15 PolarHBondContact OG-N 3.19Å; S13-F15 VanDerWaalsContact OG-N 3.17Å; F15-E362 HydrophobicContact CB-CG 4.31Å; F15-E362 HydrophobicContact CD2-CB 3.91Å; F15-E362 HydrophobicContact CD2-CG 4Å; F15-V365 HydrophobicContact CB-CB 4.22Å; F15-V365 HydrophobicContact CB-CG1 4Å; F15-V365 HydrophobicContact CD1-CG1 4.27Å; F15-F366 HydrophobicContact CE1-CB 4.43Å; F15-F366 AromaticContact CE1-CD2 3.96Å; F15-F366 HydrophobicContact CE1-CD2 3.96Å; F15-F366 HydrophobicContact CZ-CB 4.43Å; F15-F366 AromaticContact CZ-CD2 3.81Å; F15-F366 HydrophobicContact CZ-CD2 3.81Å
16L90.5Very high92.9Very high8 Ų852.1 Ų52.14%0.04228%0.275CS..G310 helixtrans-81.5-24.5-177.9-54.9178000113.1A10 S13 K18 K19 V358 L361 E362 V365 I371A10-L16 HydrophobicContact CB-CB 4.44Å; A10-L16 HydrophobicContact CB-CD1 4.2Å; A10-L16 CarbonylContact O-C 3.53Å; A10-L16 WeakPolarHBondContact O-CB 3.49Å; S13-L16 PolarHBondContact OG-N 3.47Å; L16-K18 PolarHBondContact O-N 3.3Å; L16-K19 VanDerWaalsContact O-CB 3.31Å; L16-K19 WeakPolarHBondContact O-CB 3.31Å; L16-K19 PolarHBondContact O-N 3.4Å; L16-V358 HydrophobicContact CD1-CB 4.39Å; L16-V358 HydrophobicContact CD1-CG1 3.85Å; L16-V358 HydrophobicContact CD1-CG2 4.35Å; L16-L361 HydrophobicContact CD1-CB 3.82Å; L16-L361 HydrophobicContact CD1-CD1 4.16Å; L16-L361 HydrophobicContact CD2-CB 4.02Å; L16-L361 HydrophobicContact CG-CB 4.46Å; L16-E362 HydrophobicContact CG-CG 4.35Å; L16-V365 HydrophobicContact CD2-CG2 4.03Å; L16-I371 HydrophobicContact CD2-CG2 4.15Å
17G86.2Confident92.5Very high20 Ų2053.2 Ų53.221%0.20629%0.285CS..G310 helixtrans-61.1-16.3176.400000113.9A10 S13A10-G17 PolarHBondContact O-N 3.16Å; S13-G17 WeakPolarHBondContact O-CA 3.44Å; S13-G17 PolarHBondContact O-N 2.93Å
18K86.8Confident92.1Very high169 Ų16954.2 Ų54.274%0.73530%0.295SS*.G310 helixtrans-86.4-7.2172.8-60.8-177.3-177179.40113.7L16 N116L16-K18 PolarHBondContact O-N 3.3Å; K18-N116 PolarHBondContact O-ND2 3.25Å
19K91.2Very high91.7Very high90 Ų9059.1 Ų59.139%0.39132%0.317SS..SBendtrans-95.5153.6179.1-61-67.7-171.6169.90110.3L16 N116L16-K19 VanDerWaalsContact O-CB 3.31Å; L16-K19 WeakPolarHBondContact O-CB 3.31Å; L16-K19 PolarHBondContact O-N 3.4Å; K19-N116 VanDerWaalsContact O-CB 3.26Å; K19-N116 WeakPolarHBondContact O-CB 3.35Å
20N94Very high91Very high140 Ų14063.9 Ų63.975%0.74934%0.335SS*.  trans-75.9125.1173.8-62-22.9000109.7N116N20-N116 WeakPolarHBondContact CA-O 3.23Å; N20-N116 WeakPolarHBondContact OD1-CB 3.17Å
21I95.1Very high90.5Very high34 Ų3467.5 Ų67.517%0.17436%0.357CS..EExtended strand (participates in β ladder)trans-116.7118.2-179.4-60.5168.5000107.7A7 A10 A11 N116 V117 T118A7-I21 HydrophobicContact CB-CG2 4.35Å; A10-I21 HydrophobicContact CB-CD1 3.72Å; A11-I21 HydrophobicContact CB-CD1 4.48Å; I21-N116 PolarHBondContact N-O 2.93Å; I21-V117 HydrophobicContact CB-CG1 4.49Å; I21-V117 HydrophobicContact CB-CG2 4.23Å; I21-V117 HydrophobicContact CD1-CG2 4.21Å; I21-V117 HydrophobicContact CG2-CG1 4.38Å; I21-V117 CarbonylContact O-C 3.48Å; I21-V117 WeakPolarHBondContact O-CA 3.36Å; I21-T118 PolarHBondContact O-N 2.99Å
22L95.7Very high90.1Very high69 Ų6967.7 Ų67.736%0.36135%0.354SS..EExtended strand (participates in β ladder)trans-106.3116.5173.9-178.263.3000109.5L24 T118 L120 V155L22-L24 HydrophobicContact CD1-CD2 4.25Å; L22-L24 HydrophobicContact CD2-CD2 4.01Å; L22-L24 HydrophobicContact CG-CD2 3.9Å; L22-L24 HydrophobicContact CG-CG 4.5Å; L22-T118 WeakPolarHBondContact CA-O 3.44Å; L22-T118 HydrophobicContact CD1-CG2 3.87Å; L22-L120 HydrophobicContact CD1-CD1 3.82Å; L22-L120 HydrophobicContact CD1-CG 3.86Å; L22-V155 HydrophobicContact CD2-CG1 4Å; L22-V155 HydrophobicContact CD2-CG2 4.18Å
23L96Very high89.7Confident20 Ų2071.2 Ų71.211%0.10536%0.361CS..EExtended strand (participates in β ladder)trans-102.3119.1173.2178.963.6000109.7F4 A7 L108 T118 I119 L120F4-L23 HydrophobicContact CD1-CD2 3.6Å; F4-L23 HydrophobicContact CD2-CD2 4.36Å; F4-L23 HydrophobicContact CE1-CD2 3.7Å; F4-L23 HydrophobicContact CE2-CD2 4.45Å; F4-L23 HydrophobicContact CG-CD2 3.94Å; F4-L23 HydrophobicContact CZ-CD2 4.13Å; A7-L23 HydrophobicContact CB-CB 4.46Å; A7-L23 HydrophobicContact CB-CD2 4.09Å; L23-L108 HydrophobicContact CD2-CD1 4.32Å; L23-T118 PolarHBondContact N-O 2.83Å; L23-I119 HydrophobicContact CB-CG1 4.36Å; L23-I119 HydrophobicContact CB-CG2 4.47Å; L23-I119 HydrophobicContact CD2-CG1 4.36Å; L23-I119 HydrophobicContact CD2-CG2 4.22Å; L23-I119 HydrophobicContact CG-CG2 4.41Å; L23-I119 WeakPolarHBondContact O-CA 3.49Å; L23-L120 PolarHBondContact O-N 2.88Å
24L95.7Very high89.1Confident47 Ų4778.3 Ų78.325%0.24639%0.386CS..EExtended strand (participates in β ladder)trans-98.5118.2173.5-53.5-178.9000109.2L22 L120 A123 A125 L142 V144L22-L24 HydrophobicContact CD1-CD2 4.25Å; L22-L24 HydrophobicContact CD2-CD2 4.01Å; L22-L24 HydrophobicContact CG-CD2 3.9Å; L22-L24 HydrophobicContact CG-CG 4.5Å; L24-L120 HydrophobicContact CD2-CB 3.94Å; L24-L120 HydrophobicContact CD2-CD1 3.79Å; L24-L120 HydrophobicContact CD2-CG 4.25Å; L24-A123 HydrophobicContact CB-CB 4.47Å; L24-A123 HydrophobicContact CD2-CB 4.18Å; L24-A125 HydrophobicContact CD1-CB 4.1Å; L24-L142 HydrophobicContact CD1-CD1 4.11Å; L24-V144 HydrophobicContact CD1-CG1 4.25Å; L24-V144 HydrophobicContact CD1-CG2 3.84Å; L24-V144 HydrophobicContact CD2-CG1 3.76Å; L24-V144 HydrophobicContact CD2-CG2 4.2Å
25E94.7Very high89.1Confident38 Ų3875.9 Ų75.918%0.17838%0.375CS..EExtended strand (participates in β ladder)trans-112.3121.1175.1177.648.6-116.400109.4F4 S27 L120 Y121 E122 A123F4-E25 HydrophobicContact CE2-CB 4.35Å; F4-E25 HydrophobicContact CE2-CG 4Å; F4-E25 WeakPolarHBondContact CE2-OE2 3.04Å; F4-E25 HydrophobicContact CZ-CB 4.25Å; F4-E25 HydrophobicContact CZ-CG 4.12Å; E25-S27 VanDerWaalsContact C-N 3.26Å; E25-S27 PolarHBondContact O-N 2.85Å; E25-S27 PolarHBondContact OE1-N 2.8Å; E25-S27 PolarHBondContact OE1-OG 2.98Å; E25-L120 PolarHBondContact N-O 3.11Å; E25-Y121 HydrophobicContact CB-CD1 4.11Å; E25-Y121 HydrophobicContact CB-CE1 4.5Å; E25-Y121 HydrophobicContact CG-CD1 4.08Å; E25-Y121 HydrophobicContact CG-CE1 4.44Å; E25-Y121 CarbonylContact O-C 3.55Å; E25-Y121 VanDerWaalsContact O-C 3.32Å; E25-Y121 WeakPolarHBondContact O-CA 3.28Å; E25-E122 WeakPolarHBondContact O-CA 3.36Å; E25-E122 PolarHBondContact O-N 3.22Å; E25-A123 CarbonylContact C-O 3.55Å; E25-A123 PolarHBondContact O-N 2.78Å
26S92.5Very high88.9Confident61 Ų6180.5 Ų80.543%0.42740%0.398SS..SBendtrans-71.1-21.7-176.765.70000113.8A123S26-A123 WeakPolarHBondContact CA-O 3.27Å
27S89.7Confident88.8Confident46 Ų4683 Ų8332%0.32241%0.409SS..SBendtrans-94.6159.117858.90000112E25 E122E25-S27 VanDerWaalsContact C-N 3.26Å; E25-S27 PolarHBondContact O-N 2.85Å; E25-S27 PolarHBondContact OE1-N 2.8Å; E25-S27 PolarHBondContact OE1-OG 2.98Å; S27-E122 PolarHBondContact O-N 2.9Å
28G87.4Confident89Confident24 Ų2483.9 Ų83.925%0.24741%0.407CS..  trans-66.4161.4171.100000111.4K30G28-K30 PolarHBondContact O-N 3.37Å
29K86.2Confident89Confident104 Ų10478.6 Ų78.645%0.45239%0.385SS..  trans-62.8105.1175.4175.7166.3162.9152.50109.8E109 Y121K29-E109 IonicContact NZ-OE1 3.12Å; K29-E109 PolarHBondContact NZ-OE1 2.88Å; K29-E109 IonicContact NZ-OE2 3.36Å; K29-E109 PolarHBondContact NZ-OE2 3.44Å; K29-Y121 HydrophobicContact CB-CD1 4.05Å; K29-Y121 HydrophobicContact CB-CD2 4.37Å; K29-Y121 HydrophobicContact CB-CE1 4.05Å; K29-Y121 HydrophobicContact CB-CE2 4.38Å; K29-Y121 HydrophobicContact CB-CG 4.22Å; K29-Y121 HydrophobicContact CD-CE2 4.34Å
30K81.2Confident88.8Confident121 Ų12176 Ų7653%0.52638%0.375SS..  trans-84.6137.4170.4-64.7-174.9-179-1770109.4G28 D98 E102 R105G28-K30 PolarHBondContact O-N 3.37Å; K30-D98 IonicContact NZ-OD2 3.49Å; K30-E102 VanDerWaalsContact O-OE2 3.13Å; K30-R105 PolarHBondContact O-NE 3.47Å
31T83.5Confident88.5Confident87 Ų8777.3 Ų77.353%0.53437%0.37SS..  trans-106.6121.6170.5-52.30000107.9Q33T31-Q33 PolarHBondContact O-N 3.33Å
32Y84.2Confident88.4Confident18 Ų1877 Ų777%0.07137%0.369CS..  trans-67.2125.4171.8176.6-93.2000109.7R34 F65 E96 D98 L99 E102Y32-R34 HydrophobicContact CE1-CB 4.23Å; Y32-F65 HydrophobicContact CD1-CD1 4.25Å; Y32-F65 AromaticContact CE1-CD1 3.82Å; Y32-F65 HydrophobicContact CE1-CD1 3.82Å; Y32-F65 HydrophobicContact CE1-CE1 4.5Å; Y32-F65 HydrophobicContact CE1-CG 4.46Å; Y32-E96 HydrophobicContact CE2-CB 4.33Å; Y32-E96 WeakPolarHBondContact CE2-OE2 3.2Å; Y32-E96 PolarHBondContact OH-OE2 2.91Å; Y32-D98 HydrophobicContact CD2-CB 4.21Å; Y32-L99 HydrophobicContact CD1-CD1 3.91Å; Y32-L99 HydrophobicContact CD2-CB 3.94Å; Y32-L99 HydrophobicContact CE1-CB 4.44Å; Y32-L99 HydrophobicContact CE1-CD1 3.94Å; Y32-L99 HydrophobicContact CE2-CB 3.82Å; Y32-L99 HydrophobicContact CG-CB 4.29Å; Y32-L99 HydrophobicContact CG-CD1 4.33Å; Y32-E102 PolarHBondContact N-OE2 3.48Å
33Q83Confident88.3Confident133 Ų13374.6 Ų74.662%0.62136%0.358SS*.  trans-113.3122.4173.1-68.2178.1-2.100107.8T31 K35T31-Q33 PolarHBondContact O-N 3.33Å; Q33-K35 PolarHBondContact O-N 2.97Å
34R81.2Confident88.1Confident160 Ų16074 Ų7460%0.60436%0.356SS*.  trans-65.9101174.6-175.3-179.9177.6170.52109Y32 F65Y32-R34 HydrophobicContact CE1-CB 4.23Å; R34-F65 HydrophobicContact CB-CD1 4.21Å
35K86.3Confident87.9Confident125 Ų12571.8 Ų71.854%0.54334%0.344SS..  trans-89.3172.6171.5-65.2175.7-173.7176.30109.8Q33 R66Q33-K35 PolarHBondContact O-N 2.97Å; K35-R66 PolarHBondContact O-NH1 3.17Å; K35-R66 PolarHBondContact O-NH2 3.16Å
36E84.9Confident87.7Confident176 Ų17670.3 Ų70.382%0.82234%0.337SS*.SBendtrans-72.9-42.3167.7-70.2-172.8171.900110.2R66E36-R66 PolarHBondContact O-NH2 3.01Å
37E89.1Confident87.6Confident61 Ų6169 Ų6929%0.28533%0.326SS..SBendtrans-66.4143.5176.8-59.496.8160.800112.3R66 N308E37-R66 PolarHBondContact O-NH1 3.02Å; E37-N308 HydrophobicContact CG-CB 4.49Å; E37-N308 PolarHBondContact OE1-ND2 3.25Å
38Y90Very high87.6Confident39 Ų3971.8 Ų71.815%0.15334%0.336CS..PPolyproline II helixtrans-82.2148166-67.3-87.2000112.2E96 L218 Y222 Q306Y38-E96 WeakPolarHBondContact CA-OE1 3.05Å; Y38-L218 HydrophobicContact CD1-CB 3.99Å; Y38-L218 HydrophobicContact CD1-CD1 4.29Å; Y38-L218 HydrophobicContact CD1-CD2 4.34Å; Y38-L218 HydrophobicContact CD1-CG 4.45Å; Y38-L218 HydrophobicContact CD2-CB 4.26Å; Y38-L218 HydrophobicContact CD2-CD1 4.38Å; Y38-L218 HydrophobicContact CE1-CB 3.98Å; Y38-L218 HydrophobicContact CE2-CB 4.28Å; Y38-L218 HydrophobicContact CG-CB 4.15Å; Y38-L218 HydrophobicContact CG-CD1 3.94Å; Y38-L218 PolarHBondContact OH-O 2.87Å; Y38-Y222 HydrophobicContact CD2-CD2 4.35Å; Y38-Y222 HydrophobicContact CD2-CG 4.23Å; Y38-Y222 HydrophobicContact CE2-CD2 4.06Å; Y38-Y222 HydrophobicContact CE2-CG 4.29Å; Y38-Q306 VanDerWaalsContact N-OE1 3.13Å; Y38-Q306 PolarHBondContact O-NE2 3.24Å
39E88Confident87.8Confident58 Ų5870.7 Ų70.727%0.27133%0.325SS..PPolyproline II helixtrans-70.9149168.8-66.6-173.9173.700112.5R41 E96 D98E39-R41 VanDerWaalsContact C-N 3.26Å; E39-R41 PolarHBondContact O-N 2.88Å; E39-E96 HydrophobicContact CB-CG 4.32Å; E39-E96 PolarHBondContact N-OE1 2.67Å; E39-D98 WeakPolarHBondContact OE2-CB 3.43Å
40N86.2Confident88.2Confident35 Ų3565.8 Ų65.819%0.18730%0.304CS..SBendtrans-68-26175.9-72.8-32.8000113.5T191 K310N40-T191 PolarHBondContact OD1-N 2.9Å; N40-K310 PolarHBondContact ND2-O 2.88Å
41R88.8Confident88.8Confident167 Ų16763.6 Ų63.663%0.6330%0.298SS*.  trans-100.3101.9-175.6-72.1-169.2177.7-154.30.3109.6E39 N97E39-R41 VanDerWaalsContact C-N 3.26Å; E39-R41 PolarHBondContact O-N 2.88Å; R41-N97 HydrophobicContact CB-CB 4.2Å; R41-N97 WeakPolarHBondContact O-CB 3.39Å; R41-N97 PolarHBondContact O-N 3.15Å
42V92.1Very high89.3Confident27 Ų2760 Ų6016%0.16428%0.275CS..EExtended strand (participates in β ladder)trans-115.9159.6173.3-57.40000110.8I94 V95 E96 L218 S224V42-I94 HydrophobicContact CB-CG2 3.7Å; V42-I94 HydrophobicContact CG1-CG2 4.32Å; V42-I94 HydrophobicContact CG2-CG2 3.58Å; V42-V95 CarbonylContact C-O 3.58Å; V42-V95 VanDerWaalsContact CA-O 3.28Å; V42-V95 WeakPolarHBondContact CA-O 3.41Å; V42-V95 WeakPolarHBondContact CB-O 3.48Å; V42-E96 HydrophobicContact CG1-CG 4.27Å; V42-L218 HydrophobicContact CB-CD2 4.31Å; V42-L218 HydrophobicContact CG1-CD2 3.63Å; V42-L218 HydrophobicContact CG2-CD2 4.3Å; V42-S224 WeakPolarHBondContact CG2-OG 3.48Å
43V92.9Very high90Very high20 Ų2059.1 Ų59.112%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-123.5145.8175.5-660000109.6M1 L45 I94 V95 V100 V347M1-V43 HydrophobicContact CE-CG1 4.01Å; M1-V43 HydrophobicContact CE-CG2 4.28Å; V43-L45 HydrophobicContact CG2-CD2 4.01Å; V43-L45 HydrophobicContact CG2-CG 4.1Å; V43-I94 WeakPolarHBondContact O-CA 3.44Å; V43-V95 HydrophobicContact CG2-CB 4.47Å; V43-V95 WeakPolarHBondContact CG2-O 3.47Å; V43-V95 PolarHBondContact N-O 3.04Å; V43-V95 PolarHBondContact O-N 2.65Å; V43-V100 HydrophobicContact CG2-CG2 4.09Å; V43-V347 HydrophobicContact CB-CG1 3.85Å; V43-V347 HydrophobicContact CG1-CB 4.31Å; V43-V347 HydrophobicContact CG1-CG1 4.18Å; V43-V347 HydrophobicContact CG2-CG1 4.45Å
44A92.1Very high90.6Very high8 Ų857.7 Ų57.77%0.06626%0.263CS..EExtended strand (participates in β ladder)trans-95.6109.6171.600000108.7A92 I94 N348A44-A92 HydrophobicContact CB-CB 4.36Å; A44-I94 HydrophobicContact CB-CD1 3.66Å; A44-N348 PolarHBondContact O-ND2 2.81Å; A44-N348 PolarHBondContact O-OD1 2.94Å
45L93Very high91.3Very high0 Ų056.8 Ų56.80%027%0.27CS..EExtended strand (participates in β ladder)trans-93.9115.6178.7-60.1176.5000109.8V43 V50 L53 W59 A92 Y93 V95 V100 V347 N348 F351V43-L45 HydrophobicContact CG2-CD2 4.01Å; V43-L45 HydrophobicContact CG2-CG 4.1Å; L45-V50 HydrophobicContact CB-CG2 4.08Å; L45-L53 HydrophobicContact CD1-CD1 3.74Å; L45-W59 HydrophobicContact CD1-CZ3 4.03Å; L45-A92 CarbonylContact O-C 3.57Å; L45-A92 WeakPolarHBondContact O-CA 3.39Å; L45-A92 WeakPolarHBondContact O-CB 3.43Å; L45-Y93 PolarHBondContact N-O 3.21Å; L45-Y93 PolarHBondContact O-N 2.8Å; L45-V95 HydrophobicContact CD1-CB 4.16Å; L45-V95 HydrophobicContact CD1-CG2 3.84Å; L45-V95 HydrophobicContact CG-CG2 4.5Å; L45-V100 HydrophobicContact CD1-CG2 4.19Å; L45-V347 HydrophobicContact CD2-CG1 3.87Å; L45-N348 WeakPolarHBondContact CA-OD1 3.36Å; L45-F351 HydrophobicContact CD2-CD2 4.39Å; L45-F351 HydrophobicContact CD2-CE2 4.02Å
46N89.9Confident91.6Very high6 Ų651.4 Ų51.43%0.03225%0.247CC..  trans-79.7176173.26730.7000111.8L48 S49 V50 F281 N348N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.09Å; N46-L48 PolarHBondContact OD1-N 3.13Å; N46-L48 VanDerWaalsContact OD1-N 3.11Å; N46-S49 PolarHBondContact O-N 3.1Å; N46-S49 PolarHBondContact OD1-N 3.19Å; N46-S49 PolarHBondContact OD1-OG 3.47Å; N46-V50 WeakPolarHBondContact O-CG2 3.37Å; N46-V50 PolarHBondContact O-N 3.39Å; N46-F281 HydrophobicContact CB-CB 4.22Å; N46-F281 WeakPolarHBondContact ND2-CB 3.33Å; N46-F281 VanDerWaalsContact ND2-CD1 3.28Å; N46-F281 WeakPolarHBondContact ND2-CD1 3.49Å; N46-F281 WeakPolarHBondContact ND2-CG 3.48Å; N46-N348 PolarHBondContact N-OD1 3.15Å; N46-N348 WeakPolarHBondContact ND2-CB 3.49Å; N46-N348 PolarHBondContact ND2-ND2 3.28Å
47D89.8Confident92Very high35 Ų3545.4 Ų45.419%0.18723%0.233CC..Hα-helixtrans-58.9-35.7-177.4-72-16.5000114.2V50 N51 R88D47-V50 PolarHBondContact O-N 2.98Å; D47-N51 VanDerWaalsContact O-CB 3.25Å; D47-N51 WeakPolarHBondContact O-CB 3.16Å; D47-N51 PolarHBondContact O-N 3.21Å; D47-N51 PolarHBondContact O-ND2 2.58Å; D47-R88 IonicContact OD2-CZ 2.81Å; D47-R88 IonicContact OD2-NH1 2.77Å; D47-R88 PolarHBondContact OD2-NH1 3.46Å; D47-R88 IonicContact OD2-NH2 3.4Å; D47-R88 PolarHBondContact OD2-NH2 3.36Å
48L89.3Confident92.3Very high103 Ų10342.7 Ų42.754%0.53922%0.22SC..Hα-helixtrans-65.6-45.5178.9-62-172.1000110.7N46 N51 M52 F281N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.09Å; N46-L48 PolarHBondContact OD1-N 3.13Å; N46-L48 VanDerWaalsContact OD1-N 3.11Å; L48-N51 PolarHBondContact O-N 2.95Å; L48-M52 PolarHBondContact O-N 2.99Å; L48-F281 HydrophobicContact CD1-CD1 3.89Å
49S92.8Very high92.7Very high2 Ų241 Ų411%0.01421%0.214CC..Hα-helixtrans-62.7-43.2174.5-66.50000111.7N46 M52 L53 N348N46-S49 PolarHBondContact O-N 3.1Å; N46-S49 PolarHBondContact OD1-N 3.19Å; N46-S49 PolarHBondContact OD1-OG 3.47Å; S49-M52 WeakPolarHBondContact O-CB 3.31Å; S49-M52 PolarHBondContact O-N 2.9Å; S49-L53 VanDerWaalsContact O-CG 3.26Å; S49-L53 WeakPolarHBondContact O-CG 3.49Å; S49-L53 PolarHBondContact O-N 2.9Å; S49-N348 WeakPolarHBondContact CB-OD1 3.24Å; S49-N348 PolarHBondContact OG-OD1 2.84Å
50V93.7Very high93Very high1 Ų145.7 Ų45.71%0.00624%0.236CC..Hα-helixtrans-63.2-42.3176.6170.40000111L45 N46 D47 L53 K54 W59 Y93L45-V50 HydrophobicContact CB-CG2 4.08Å; N46-V50 WeakPolarHBondContact O-CG2 3.37Å; N46-V50 PolarHBondContact O-N 3.39Å; D47-V50 PolarHBondContact O-N 2.98Å; V50-L53 CarbonylContact O-C 3.48Å; V50-L53 PolarHBondContact O-N 2.9Å; V50-K54 HydrophobicContact CG1-CD 4.07Å; V50-K54 HydrophobicContact CG1-CG 4.37Å; V50-K54 WeakPolarHBondContact O-CB 3.33Å; V50-K54 VanDerWaalsContact O-CG 3.32Å; V50-K54 WeakPolarHBondContact O-CG 3.39Å; V50-K54 PolarHBondContact O-N 3.07Å; V50-W59 HydrophobicContact CG1-CD2 3.79Å; V50-W59 HydrophobicContact CG1-CE3 4.14Å; V50-W59 HydrophobicContact CG1-CG 4.25Å; V50-W59 HydrophobicContact CG1-CH2 4.39Å; V50-W59 HydrophobicContact CG1-CZ2 4.05Å; V50-W59 HydrophobicContact CG1-CZ3 4.44Å; V50-W59 HydrophobicContact CG2-CE3 4.22Å; V50-W59 HydrophobicContact CG2-CH2 3.83Å; V50-W59 HydrophobicContact CG2-CZ2 4.25Å; V50-W59 HydrophobicContact CG2-CZ3 3.82Å; V50-Y93 HydrophobicContact CG2-CD2 3.8Å; V50-Y93 HydrophobicContact CG2-CE2 4.3Å
51N93.6Very high93.4Very high75 Ų7547.1 Ų47.140%0.40124%0.24SC..Hα-helixtrans-65.5-40.1177.2-72.4-21.7000111.8D47 L48 L53 K54 N55D47-N51 VanDerWaalsContact O-CB 3.25Å; D47-N51 WeakPolarHBondContact O-CB 3.16Å; D47-N51 PolarHBondContact O-N 3.21Å; D47-N51 PolarHBondContact O-ND2 2.58Å; L48-N51 PolarHBondContact O-N 2.95Å; N51-L53 VanDerWaalsContact C-N 3.35Å; N51-L53 PolarHBondContact O-N 2.94Å; N51-K54 PolarHBondContact O-N 2.98Å; N51-N55 WeakPolarHBondContact O-CB 3.29Å; N51-N55 PolarHBondContact O-N 3.33Å; N51-N55 PolarHBondContact O-ND2 2.93Å; N51-N55 PolarHBondContact O-OD1 3.26Å
52M95.2Very high93.7Very high10 Ų1039.1 Ų39.15%0.04921%0.21CC..Hα-helixtrans-56.6-49.8170.4174.6-166.7158.100110.8V9 L48 S49 K54 N55 I56 F351 V354 V355V9-M52 HydrophobicContact CG2-CE 3.29Å; V9-M52 HydrophobicContact CG2-CG 3.83Å; V9-M52 HydrophobicContact CG2-SD 4.2Å; L48-M52 PolarHBondContact O-N 2.99Å; S49-M52 WeakPolarHBondContact O-CB 3.31Å; S49-M52 PolarHBondContact O-N 2.9Å; M52-K54 VanDerWaalsContact C-N 3.31Å; M52-K54 PolarHBondContact O-N 2.79Å; M52-N55 PolarHBondContact O-N 3.18Å; M52-I56 WeakPolarHBondContact O-CG1 3.44Å; M52-I56 PolarHBondContact O-N 3.45Å; M52-F351 HydrophobicContact CE-CB 4.45Å; M52-F351 HydrophobicContact CE-CD1 3.9Å; M52-F351 HydrophobicContact CE-CE1 4.34Å; M52-F351 HydrophobicContact CE-CG 4.18Å; M52-F351 HydrophobicContact SD-CB 3.65Å; M52-F351 HydrophobicContact SD-CD1 4.2Å; M52-F351 HydrophobicContact SD-CD2 4.41Å; M52-F351 HydrophobicContact SD-CG 3.86Å; M52-V354 HydrophobicContact CE-CB 4.29Å; M52-V354 HydrophobicContact CE-CG1 3.76Å; M52-V355 HydrophobicContact CB-CG2 4.09Å; M52-V355 HydrophobicContact CG-CG2 3.8Å; M52-V355 HydrophobicContact SD-CG2 3.71Å
53L97.4Very high93.8Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-65-32.4179.8-67.7169.2000112.9L45 S49 V50 N51 I56 G57 V58 W59 I62 L104 F351L45-L53 HydrophobicContact CD1-CD1 3.74Å; S49-L53 VanDerWaalsContact O-CG 3.26Å; S49-L53 WeakPolarHBondContact O-CG 3.49Å; S49-L53 PolarHBondContact O-N 2.9Å; V50-L53 CarbonylContact O-C 3.48Å; V50-L53 PolarHBondContact O-N 2.9Å; N51-L53 VanDerWaalsContact C-N 3.35Å; N51-L53 PolarHBondContact O-N 2.94Å; L53-I56 HydrophobicContact CD2-CD1 4.13Å; L53-I56 VanDerWaalsContact O-CG1 3.31Å; L53-I56 WeakPolarHBondContact O-CG1 3.49Å; L53-G57 PolarHBondContact O-N 2.81Å; L53-V58 HydrophobicContact CD2-CG1 4.31Å; L53-V58 PolarHBondContact O-N 3.2Å; L53-W59 HydrophobicContact CB-CB 4.12Å; L53-W59 HydrophobicContact CB-CE3 4.35Å; L53-W59 HydrophobicContact CD1-CE3 4.12Å; L53-W59 HydrophobicContact CD1-CZ3 4.47Å; L53-W59 PolarHBondContact O-N 2.84Å; L53-W59 VanDerWaalsContact O-N 3.1Å; L53-I62 HydrophobicContact CD1-CD1 3.93Å; L53-I62 HydrophobicContact CD2-CD1 4.48Å; L53-L104 HydrophobicContact CD2-CD2 4.03Å; L53-F351 HydrophobicContact CD1-CE2 4.49Å
54K96.9Very high93.8Very high104 Ų10445.6 Ų45.645%0.45225%0.246SC..Hα-helixtrans-68.2-44.8172.4-76.2173.6178.1173.20111.5V50 N51 M52 I56 G57 W59V50-K54 HydrophobicContact CG1-CD 4.07Å; V50-K54 HydrophobicContact CG1-CG 4.37Å; V50-K54 WeakPolarHBondContact O-CB 3.33Å; V50-K54 VanDerWaalsContact O-CG 3.32Å; V50-K54 WeakPolarHBondContact O-CG 3.39Å; V50-K54 PolarHBondContact O-N 3.07Å; N51-K54 PolarHBondContact O-N 2.98Å; M52-K54 VanDerWaalsContact C-N 3.31Å; M52-K54 PolarHBondContact O-N 2.79Å; K54-I56 PolarHBondContact O-N 3.22Å; K54-G57 WeakPolarHBondContact O-CA 3.26Å; K54-G57 PolarHBondContact O-N 3.41Å; K54-W59 HydrophobicContact CB-CB 4.29Å; K54-W59 HydrophobicContact CD-CG 4.49Å; K54-W59 VanDerWaalsContact CE-CD1 3.42Å; K54-W59 HydrophobicContact CG-CB 3.52Å; K54-W59 HydrophobicContact CG-CG 3.63Å
55N95.1Very high93.7Very high141 Ų14148.2 Ų48.275%0.75426%0.256SS*.Hα-helixtrans-63-31.4-178.4-71.2-12.5000112.7N51 M52N51-N55 WeakPolarHBondContact O-CB 3.29Å; N51-N55 PolarHBondContact O-N 3.33Å; N51-N55 PolarHBondContact O-ND2 2.93Å; N51-N55 PolarHBondContact O-OD1 3.26Å; M52-N55 PolarHBondContact O-N 3.18Å
56I93.2Very high93.6Very high11 Ų1149.8 Ų49.86%0.05626%0.262CS..THydrogen-bonded Turntrans-87.2-0.4172.863.7174.1000113.5A8 V9 A12 M52 L53 K54 V58 L104 H107A8-I56 HydrophobicContact CB-CD1 3.93Å; V9-I56 HydrophobicContact CG2-CG2 3.82Å; A12-I56 HydrophobicContact CB-CG2 4.15Å; M52-I56 WeakPolarHBondContact O-CG1 3.44Å; M52-I56 PolarHBondContact O-N 3.45Å; L53-I56 HydrophobicContact CD2-CD1 4.13Å; L53-I56 VanDerWaalsContact O-CG1 3.31Å; L53-I56 WeakPolarHBondContact O-CG1 3.49Å; K54-I56 PolarHBondContact O-N 3.22Å; I56-V58 HydrophobicContact CB-CG2 4.45Å; I56-V58 HydrophobicContact CD1-CB 3.96Å; I56-V58 HydrophobicContact CD1-CG2 3.59Å; I56-V58 HydrophobicContact CG1-CB 3.89Å; I56-V58 HydrophobicContact CG1-CG2 3.63Å; I56-L104 HydrophobicContact CD1-CD2 3.47Å; I56-L104 VanDerWaalsContact CD1-CD2 3.47Å; I56-H107 PolarHBondContact O-CE1 3.33Å; I56-H107 PolarHBondContact O-ND1 3.1Å
57G93.9Very high93.8Very high51 Ų5150.9 Ų50.953%0.52627%0.27SS..THydrogen-bonded Turntrans74.621.6178.200000115.2L53 K54L53-G57 PolarHBondContact O-N 2.81Å; K54-G57 WeakPolarHBondContact O-CA 3.26Å; K54-G57 PolarHBondContact O-N 3.41Å
58V95.1Very high94Very high3 Ų350.8 Ų50.82%0.01827%0.268CS..  trans-99-25.9-176.1174.90000112.3L53 I56 E60 F61 I62 L104 H107L53-V58 HydrophobicContact CD2-CG1 4.31Å; L53-V58 PolarHBondContact O-N 3.2Å; I56-V58 HydrophobicContact CB-CG2 4.45Å; I56-V58 HydrophobicContact CD1-CB 3.96Å; I56-V58 HydrophobicContact CD1-CG2 3.59Å; I56-V58 HydrophobicContact CG1-CB 3.89Å; I56-V58 HydrophobicContact CG1-CG2 3.63Å; V58-E60 VanDerWaalsContact C-N 3.35Å; V58-E60 PolarHBondContact O-N 3.09Å; V58-F61 PolarHBondContact O-N 3.41Å; V58-I62 HydrophobicContact CG1-CD1 4.11Å; V58-I62 HydrophobicContact CG1-CG1 4.49Å; V58-I62 PolarHBondContact O-N 2.5Å; V58-L104 HydrophobicContact CG1-CD2 4.39Å; V58-L104 HydrophobicContact CG1-CG 4.47Å; V58-L104 HydrophobicContact CG2-CD2 4.42Å; V58-H107 HydrophobicContact CG2-CB 3.5Å; V58-H107 VanDerWaalsContact CG2-CB 3.5Å
59W97.2Very high94.3Very high4 Ų447.7 Ų47.72%0.01525%0.254CS..Hα-helixtrans-60.9-38.5-174.4180-105.9000114L45 V50 L53 K54 F61 I62 Q63 Y93L45-W59 HydrophobicContact CD1-CZ3 4.03Å; V50-W59 HydrophobicContact CG1-CD2 3.79Å; V50-W59 HydrophobicContact CG1-CE3 4.14Å; V50-W59 HydrophobicContact CG1-CG 4.25Å; V50-W59 HydrophobicContact CG1-CH2 4.39Å; V50-W59 HydrophobicContact CG1-CZ2 4.05Å; V50-W59 HydrophobicContact CG1-CZ3 4.44Å; V50-W59 HydrophobicContact CG2-CE3 4.22Å; V50-W59 HydrophobicContact CG2-CH2 3.83Å; V50-W59 HydrophobicContact CG2-CZ2 4.25Å; V50-W59 HydrophobicContact CG2-CZ3 3.82Å; L53-W59 HydrophobicContact CB-CB 4.12Å; L53-W59 HydrophobicContact CB-CE3 4.35Å; L53-W59 HydrophobicContact CD1-CE3 4.12Å; L53-W59 HydrophobicContact CD1-CZ3 4.47Å; L53-W59 PolarHBondContact O-N 2.84Å; L53-W59 VanDerWaalsContact O-N 3.1Å; K54-W59 HydrophobicContact CB-CB 4.29Å; K54-W59 HydrophobicContact CD-CG 4.49Å; K54-W59 VanDerWaalsContact CE-CD1 3.42Å; K54-W59 HydrophobicContact CG-CB 3.52Å; K54-W59 HydrophobicContact CG-CG 3.63Å; W59-F61 VanDerWaalsContact C-N 3.28Å; W59-F61 PolarHBondContact O-N 3.03Å; W59-I62 HydrophobicContact CE3-CB 4.28Å; W59-I62 HydrophobicContact CE3-CD1 4.28Å; W59-I62 HydrophobicContact CE3-CG2 4.24Å; W59-I62 HydrophobicContact CH2-CG2 4.48Å; W59-I62 HydrophobicContact CZ3-CB 4.44Å; W59-I62 HydrophobicContact CZ3-CG2 3.9Å; W59-I62 PolarHBondContact O-N 3.17Å; W59-Q63 WeakPolarHBondContact O-CB 3.15Å; W59-Q63 PolarHBondContact O-N 2.84Å; W59-Y93 HydrophobicContact CH2-CD1 4.02Å; W59-Y93 AromaticContact CH2-CD2 3.83Å; W59-Y93 HydrophobicContact CH2-CD2 3.83Å; W59-Y93 HydrophobicContact CH2-CE2 4.38Å; W59-Y93 AromaticContact CH2-CG 3.6Å; W59-Y93 HydrophobicContact CH2-CG 3.6Å; W59-Y93 HydrophobicContact CZ2-CD1 4.01Å; W59-Y93 AromaticContact CZ2-CD2 3.94Å; W59-Y93 HydrophobicContact CZ2-CD2 3.94Å; W59-Y93 HydrophobicContact CZ2-CE1 4.1Å; W59-Y93 HydrophobicContact CZ2-CE2 4.02Å; W59-Y93 AromaticContact CZ2-CG 3.91Å; W59-Y93 HydrophobicContact CZ2-CG 3.91Å
60E95.3Very high94.2Very high157 Ų15747.9 Ų47.973%0.73426%0.255SS*.Hα-helixtrans-60.9-39.7-179.5-64.4-177.4171.300111.7V58 Q63 S64V58-E60 VanDerWaalsContact C-N 3.35Å; V58-E60 PolarHBondContact O-N 3.09Å; E60-Q63 PolarHBondContact O-N 3.03Å; E60-S64 WeakPolarHBondContact O-CB 3.41Å; E60-S64 PolarHBondContact O-N 3.28Å; E60-S64 PolarHBondContact O-OG 2.88Å
61F94Very high94Very high64 Ų6449.9 Ų49.928%0.28127%0.266SS..Hα-helixtrans-62.6-50.8174.5-176.6-85.6000110.3V58 W59 Q63 S64 F65 L99 E102 S103V58-F61 PolarHBondContact O-N 3.41Å; W59-F61 VanDerWaalsContact C-N 3.28Å; W59-F61 PolarHBondContact O-N 3.03Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.2Å; F61-S64 PolarHBondContact O-N 2.88Å; F61-S64 VanDerWaalsContact O-N 3.12Å; F61-S64 PolarHBondContact O-OG 2.9Å; F61-F65 HydrophobicContact CD1-CD2 4.08Å; F61-F65 HydrophobicContact CD1-CE2 4.18Å; F61-F65 HydrophobicContact CD2-CD2 4.39Å; F61-F65 AromaticContact CD2-CE2 3.84Å; F61-F65 HydrophobicContact CD2-CE2 3.84Å; F61-F65 AromaticContact CE1-CD2 3.88Å; F61-F65 HydrophobicContact CE1-CD2 3.88Å; F61-F65 AromaticContact CE1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CZ 4.4Å; F61-F65 HydrophobicContact CE2-CD2 4.18Å; F61-F65 AromaticContact CE2-CE2 3.34Å; F61-F65 HydrophobicContact CE2-CE2 3.34Å; F61-F65 AromaticContact CE2-CZ 3.95Å; F61-F65 HydrophobicContact CE2-CZ 3.95Å; F61-F65 HydrophobicContact CG-CD2 4.37Å; F61-F65 HydrophobicContact CG-CE2 4.26Å; F61-F65 AromaticContact CZ-CD2 3.93Å; F61-F65 HydrophobicContact CZ-CD2 3.93Å; F61-F65 AromaticContact CZ-CE2 3.3Å; F61-F65 HydrophobicContact CZ-CE2 3.3Å; F61-F65 AromaticContact CZ-CZ 3.72Å; F61-F65 HydrophobicContact CZ-CZ 3.72Å; F61-F65 WeakPolarHBondContact O-CD2 3.33Å; F61-F65 PolarHBondContact O-N 2.85Å; F61-L99 HydrophobicContact CD1-CD1 4.27Å; F61-L99 HydrophobicContact CE1-CD1 3.9Å; F61-E102 HydrophobicContact CE1-CG 4.3Å; F61-E102 HydrophobicContact CZ-CG 4.45Å; F61-S103 WeakPolarHBondContact CD1-OG 3.44Å
62I95.8Very high93.8Very high0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-54.2-48.8177.8-67.3170.1000111.3L53 V58 W59 S64 F65 R66 V95 L99 V100 S103L53-I62 HydrophobicContact CD1-CD1 3.93Å; L53-I62 HydrophobicContact CD2-CD1 4.48Å; V58-I62 HydrophobicContact CG1-CD1 4.11Å; V58-I62 HydrophobicContact CG1-CG1 4.49Å; V58-I62 PolarHBondContact O-N 2.5Å; W59-I62 HydrophobicContact CE3-CB 4.28Å; W59-I62 HydrophobicContact CE3-CD1 4.28Å; W59-I62 HydrophobicContact CE3-CG2 4.24Å; W59-I62 HydrophobicContact CH2-CG2 4.48Å; W59-I62 HydrophobicContact CZ3-CB 4.44Å; W59-I62 HydrophobicContact CZ3-CG2 3.9Å; W59-I62 PolarHBondContact O-N 3.17Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.76Å; I62-F65 PolarHBondContact O-N 3.3Å; I62-R66 PolarHBondContact O-N 3.45Å; I62-R66 VanDerWaalsContact O-N 3.15Å; I62-V95 HydrophobicContact CG2-CB 4.45Å; I62-V95 HydrophobicContact CG2-CG1 3.54Å; I62-V95 HydrophobicContact CG2-CG2 3.98Å; I62-L99 HydrophobicContact CG2-CD2 4.28Å; I62-V100 HydrophobicContact CD1-CG2 4.39Å; I62-S103 WeakPolarHBondContact CG1-OG 3.49Å
63Q94Very high93.4Very high107 Ų10748.5 Ų48.550%0.526%0.256SS..Hα-helixtrans-65.6-32.8-178-172.2174.4-11.600112.4W59 E60 F61 F65W59-Q63 WeakPolarHBondContact O-CB 3.15Å; W59-Q63 PolarHBondContact O-N 2.84Å; E60-Q63 PolarHBondContact O-N 3.03Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.2Å; Q63-F65 VanDerWaalsContact C-N 3.3Å; Q63-F65 PolarHBondContact O-N 3.19Å
64S92.1Very high92.9Very high75 Ų7549.9 Ų49.952%0.52426%0.262SS..Hα-helixtrans-70.5-24.4177.975.10000113.8E60 F61 I62E60-S64 WeakPolarHBondContact O-CB 3.41Å; E60-S64 PolarHBondContact O-N 3.28Å; E60-S64 PolarHBondContact O-OG 2.88Å; F61-S64 PolarHBondContact O-N 2.88Å; F61-S64 VanDerWaalsContact O-N 3.12Å; F61-S64 PolarHBondContact O-OG 2.9Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.76Å
65F90.7Very high92.2Very high64 Ų6445 Ų4528%0.28124%0.241SC..Hα-helixtrans-91.2-74.8177.6-80.4-99.3000111.6Y32 R34 F61 I62 Q63 L99Y32-F65 HydrophobicContact CD1-CD1 4.25Å; Y32-F65 AromaticContact CE1-CD1 3.82Å; Y32-F65 HydrophobicContact CE1-CD1 3.82Å; Y32-F65 HydrophobicContact CE1-CE1 4.5Å; Y32-F65 HydrophobicContact CE1-CG 4.46Å; R34-F65 HydrophobicContact CB-CD1 4.21Å; F61-F65 HydrophobicContact CD1-CD2 4.08Å; F61-F65 HydrophobicContact CD1-CE2 4.18Å; F61-F65 HydrophobicContact CD2-CD2 4.39Å; F61-F65 AromaticContact CD2-CE2 3.84Å; F61-F65 HydrophobicContact CD2-CE2 3.84Å; F61-F65 AromaticContact CE1-CD2 3.88Å; F61-F65 HydrophobicContact CE1-CD2 3.88Å; F61-F65 AromaticContact CE1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CZ 4.4Å; F61-F65 HydrophobicContact CE2-CD2 4.18Å; F61-F65 AromaticContact CE2-CE2 3.34Å; F61-F65 HydrophobicContact CE2-CE2 3.34Å; F61-F65 AromaticContact CE2-CZ 3.95Å; F61-F65 HydrophobicContact CE2-CZ 3.95Å; F61-F65 HydrophobicContact CG-CD2 4.37Å; F61-F65 HydrophobicContact CG-CE2 4.26Å; F61-F65 AromaticContact CZ-CD2 3.93Å; F61-F65 HydrophobicContact CZ-CD2 3.93Å; F61-F65 AromaticContact CZ-CE2 3.3Å; F61-F65 HydrophobicContact CZ-CE2 3.3Å; F61-F65 AromaticContact CZ-CZ 3.72Å; F61-F65 HydrophobicContact CZ-CZ 3.72Å; F61-F65 WeakPolarHBondContact O-CD2 3.33Å; F61-F65 PolarHBondContact O-N 2.85Å; I62-F65 PolarHBondContact O-N 3.3Å; Q63-F65 VanDerWaalsContact C-N 3.3Å; Q63-F65 PolarHBondContact O-N 3.19Å; F65-L99 HydrophobicContact CB-CD1 3.85Å; F65-L99 HydrophobicContact CB-CD2 3.83Å; F65-L99 HydrophobicContact CD2-CD1 4.47Å; F65-L99 HydrophobicContact CG-CD1 4.09Å
66R90.9Very high91.7Very high33 Ų3339 Ų3913%0.12521%0.208CC..  trans-156.7111-175.3-74.4-172.8171178.2-9.7111K35 E36 E37 I62 E96 L99K35-R66 PolarHBondContact O-NH1 3.17Å; K35-R66 PolarHBondContact O-NH2 3.16Å; E36-R66 PolarHBondContact O-NH2 3.01Å; E37-R66 PolarHBondContact O-NH1 3.02Å; I62-R66 PolarHBondContact O-N 3.45Å; I62-R66 VanDerWaalsContact O-N 3.15Å; R66-E96 WeakPolarHBondContact CD-OE2 3.34Å; R66-E96 IonicContact NH1-OE1 2.81Å; R66-E96 IonicContact NH1-OE2 3.29Å; R66-L99 HydrophobicContact CB-CD2 4.19Å; R66-L99 WeakPolarHBondContact O-CD2 3.49Å
67S93.8Very high90.7Very high29 Ų2939 Ų3920%0.20321%0.208CC..  trans-143.7123.5168.565.40000109.6
68Q95Very high89.3Confident33 Ų3337.4 Ų37.415%0.15419%0.188CC..EExtended strand (participates in β ladder)trans-105.6116179.9178.956.749.800110Y93 I94 S201 P217 L218Q68-Y93 CarbonylContact O-C 3.5Å; Q68-Y93 WeakPolarHBondContact O-CA 3.47Å; Q68-I94 HydrophobicContact CB-CB 4.46Å; Q68-I94 PolarHBondContact N-O 3.35Å; Q68-I94 PolarHBondContact O-N 2.64Å; Q68-S201 PolarHBondContact NE2-OG 3.02Å; Q68-P217 HydrophobicContact CG-CB 4.11Å; Q68-P217 HydrophobicContact CG-CG 4.42Å; Q68-P217 VanDerWaalsContact CG-O 3.22Å; Q68-P217 WeakPolarHBondContact CG-O 3.41Å; Q68-L218 WeakPolarHBondContact CB-O 3.25Å
69P94.9Very high87.6Confident37 Ų3739.8 Ų39.824%0.2420%0.198CC..EExtended strand (participates in β ladder)trans-65.9148.2174.427.8-35000111P90 A92 Y93 S201P69-P90 HydrophobicContact CB-CB 3.86Å; P69-P90 HydrophobicContact CB-CG 4.34Å; P69-A92 CarbonylContact C-O 3.32Å; P69-Y93 HydrophobicContact CB-CD1 4.17Å; P69-Y93 HydrophobicContact CB-CE1 4Å; P69-S201 WeakPolarHBondContact O-CB 3.43Å
70V91.4Very high85.6Confident7 Ų740.6 Ų40.64%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-109.5108.2166.8-1770000107.1K72 P90 L91 A92 I94 S201 A203 P217V70-K72 WeakPolarHBondContact CG1-O 3.5Å; V70-P90 WeakPolarHBondContact O-CB 3.31Å; V70-L91 HydrophobicContact CG1-CD1 4.42Å; V70-L91 WeakPolarHBondContact O-CB 3.23Å; V70-L91 PolarHBondContact O-N 2.77Å; V70-A92 PolarHBondContact N-O 3.06Å; V70-I94 HydrophobicContact CG2-CD1 3.73Å; V70-I94 HydrophobicContact CG2-CG1 3.57Å; V70-S201 WeakPolarHBondContact CA-O 3.43Å; V70-A203 HydrophobicContact CG1-CB 3.55Å; V70-P217 HydrophobicContact CG2-CG 3.91Å
71N89.4Confident83.9Confident43 Ų4341.1 Ų41.123%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-92.1-30.7-176.9-60.4-42000112.4Q87 R88 E200 S201N71-Q87 WeakPolarHBondContact O-CA 3.46Å; N71-R88 CarbonylContact C-O 3.59Å; N71-R88 VanDerWaalsContact CA-O 3.28Å; N71-R88 WeakPolarHBondContact CA-O 3.42Å; N71-R88 PolarHBondContact O-N 3.3Å; N71-E200 PolarHBondContact ND2-O 3.31Å; N71-S201 PolarHBondContact N-O 2.9Å; N71-S201 VanDerWaalsContact N-O 3.08Å
72K87.8Confident82.5Confident41 Ų4141.3 Ų41.318%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-132.8147.7-178.5-63.6-179-170.6175.50109V70 F86 Q87 E200 I202 A203V70-K72 WeakPolarHBondContact CG1-O 3.5Å; K72-F86 CarbonylContact C-O 3.51Å; K72-F86 VanDerWaalsContact CA-O 3.23Å; K72-F86 WeakPolarHBondContact CA-O 3.32Å; K72-Q87 VanDerWaalsContact CE-OE1 3.26Å; K72-Q87 HydrophobicContact CG-CB 4.16Å; K72-Q87 HydrophobicContact CG-CG 3.86Å; K72-E200 IonicContact NZ-OE1 2.86Å; K72-E200 PolarHBondContact NZ-OE1 3.33Å; K72-E200 VanDerWaalsContact NZ-OE1 3.12Å; K72-E200 IonicContact NZ-OE2 3.95Å; K72-E200 PolarHBondContact NZ-OE2 3.13Å; K72-I202 HydrophobicContact CB-CG1 4.02Å; K72-I202 HydrophobicContact CD-CG1 4.38Å; K72-I202 CarbonylContact O-C 3.55Å; K72-I202 WeakPolarHBondContact O-CA 3.36Å; K72-A203 PolarHBondContact O-N 2.76Å
73M87.8Confident81.3Confident14 Ų1442 Ų427%0.06922%0.218CC..EExtended strand (participates in β ladder)trans-127.8123.1166.5-177.5166.356.900109.2V75 T85 F86 L91 A203 F274 V278M73-V75 HydrophobicContact CE-CG2 4.5Å; M73-V75 HydrophobicContact CG-CG2 3.98Å; M73-V75 HydrophobicContact SD-CG2 4.44Å; M73-T85 WeakPolarHBondContact O-CA 3.26Å; M73-F86 HydrophobicContact CB-CB 4.35Å; M73-F86 HydrophobicContact CB-CD2 4.47Å; M73-F86 HydrophobicContact CE-CD2 4.03Å; M73-F86 PolarHBondContact N-O 2.78Å; M73-F86 PolarHBondContact O-N 2.83Å; M73-L91 HydrophobicContact CB-CD1 3.92Å; M73-A203 CarbonylContact C-O 3.53Å; M73-A203 WeakPolarHBondContact CA-O 3.45Å; M73-A203 HydrophobicContact CB-CB 4.26Å; M73-A203 HydrophobicContact CG-CB 4.09Å; M73-A203 HydrophobicContact SD-CB 4.49Å; M73-F274 HydrophobicContact CE-CE1 3.39Å; M73-F274 HydrophobicContact CE-CZ 3.74Å; M73-F274 HydrophobicContact SD-CE1 4.23Å; M73-F274 HydrophobicContact SD-CZ 4.18Å; M73-V278 HydrophobicContact CE-CB 4.3Å; M73-V278 HydrophobicContact CE-CG1 3.91Å; M73-V278 HydrophobicContact CE-CG2 3.28Å
74K86.9Confident80.5Confident29 Ų2938 Ų3813%0.12620%0.201CC..EExtended strand (participates in β ladder)trans-103.7125.9175.7-63.1-170.5-177.6-174.10109.6L84 T85 I202 A203 W204 Q205 F297K74-L84 CarbonylContact C-O 3.59Å; K74-L84 WeakPolarHBondContact CA-O 3.44Å; K74-T85 HydrophobicContact CG-CG2 4.44Å; K74-I202 HydrophobicContact CB-CG2 4.33Å; K74-I202 HydrophobicContact CD-CG2 4.24Å; K74-I202 HydrophobicContact CG-CG2 3.89Å; K74-A203 PolarHBondContact N-O 3.43Å; K74-W204 WeakPolarHBondContact O-CA 3.16Å; K74-Q205 PolarHBondContact O-N 3.37Å; K74-F297 HydrophobicContact CB-CE2 3.94Å; K74-F297 HydrophobicContact CD-CD2 4Å; K74-F297 HydrophobicContact CD-CE2 3.66Å; K74-F297 HydrophobicContact CG-CE2 4.42Å
75V83.1Confident79.8Confident2 Ų235.1 Ų35.11%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-123126.2-176.7-176.10000109.5M73 Y83 L84 F86 Q205 F207 F274M73-V75 HydrophobicContact CE-CG2 4.5Å; M73-V75 HydrophobicContact CG-CG2 3.98Å; M73-V75 HydrophobicContact SD-CG2 4.44Å; V75-Y83 CarbonylContact O-C 3.57Å; V75-Y83 WeakPolarHBondContact O-CA 3.35Å; V75-L84 HydrophobicContact CB-CB 4.44Å; V75-L84 PolarHBondContact N-O 3.43Å; V75-L84 PolarHBondContact O-N 3.31Å; V75-F86 HydrophobicContact CB-CE2 4.24Å; V75-F86 HydrophobicContact CG2-CD2 4.03Å; V75-F86 HydrophobicContact CG2-CE2 3.71Å; V75-Q205 VanDerWaalsContact CA-O 3.23Å; V75-Q205 WeakPolarHBondContact CA-O 3.47Å; V75-Q205 HydrophobicContact CG2-CB 4.18Å; V75-F207 HydrophobicContact CG1-CD2 3.87Å; V75-F207 HydrophobicContact CG1-CE2 3.51Å; V75-F274 HydrophobicContact CG2-CD1 4.08Å; V75-F274 HydrophobicContact CG2-CE1 3.54Å; V75-F274 HydrophobicContact CG2-CZ 4.23Å
76W82.5Confident79.2Confident14 Ų1432.2 Ų32.25%0.05317%0.167CC..EExtended strand (participates in β ladder)trans-142.4170.5179.674.5105.9000111.2W204 Q205 R206 F207 L253 F297 T299W76-W204 HydrophobicContact CH2-CB 3.8Å; W76-W204 HydrophobicContact CH2-CG 4.23Å; W76-W204 HydrophobicContact CZ3-CB 3.6Å; W76-W204 AromaticContact CZ3-CD1 3.74Å; W76-W204 HydrophobicContact CZ3-CG 4.06Å; W76-Q205 PolarHBondContact N-O 3.29Å; W76-Q205 VanDerWaalsContact N-O 3.1Å; W76-R206 HydrophobicContact CD2-CB 4.07Å; W76-R206 HydrophobicContact CD2-CG 4.17Å; W76-R206 HydrophobicContact CE3-CB 4.42Å; W76-R206 HydrophobicContact CG-CG 4.39Å; W76-R206 HydrophobicContact CH2-CB 4.06Å; W76-R206 HydrophobicContact CZ2-CB 3.67Å; W76-R206 HydrophobicContact CZ2-CG 4.03Å; W76-R206 HydrophobicContact CZ3-CB 4.41Å; W76-R206 VanDerWaalsContact NE1-CD 3.33Å; W76-R206 WeakPolarHBondContact O-CA 3.28Å; W76-F207 PolarHBondContact O-N 3.39Å; W76-L253 HydrophobicContact CH2-CD2 4.38Å; W76-L253 HydrophobicContact CZ2-CD2 4.23Å; W76-F297 AromaticContact CD2-CE1 3.74Å; W76-F297 HydrophobicContact CD2-CE1 3.74Å; W76-F297 AromaticContact CD2-CZ 3.48Å; W76-F297 HydrophobicContact CD2-CZ 3.48Å; W76-F297 VanDerWaalsContact CD2-CZ 3.48Å; W76-F297 AromaticContact CE2-CE1 3.81Å; W76-F297 AromaticContact CE2-CZ 3.85Å; W76-F297 HydrophobicContact CE3-CE1 4.15Å; W76-F297 HydrophobicContact CE3-CE2 4.22Å; W76-F297 AromaticContact CE3-CZ 3.4Å; W76-F297 HydrophobicContact CE3-CZ 3.4Å; W76-F297 VanDerWaalsContact CE3-CZ 3.4Å; W76-F297 AromaticContact CG-CE1 3.93Å; W76-F297 HydrophobicContact CG-CE1 3.93Å; W76-F297 HydrophobicContact CG-CZ 4Å; W76-F297 HydrophobicContact CH2-CZ 4.08Å; W76-F297 HydrophobicContact CZ2-CE1 4.28Å; W76-F297 HydrophobicContact CZ2-CZ 4.14Å; W76-F297 AromaticContact CZ3-CZ 3.72Å; W76-F297 HydrophobicContact CZ3-CZ 3.72Å; W76-T299 HydrophobicContact CZ2-CG2 4.25Å
77E74.2Confident78.7Confident13 Ų1334.6 Ų34.66%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-122.7161.3179.7-165.1-167.4170.500110.7K79 F207 L267 Y402E77-K79 VanDerWaalsContact C-N 3.32Å; E77-K79 PolarHBondContact O-N 3.27Å; E77-F207 HydrophobicContact CG-CB 4.49Å; E77-L267 HydrophobicContact CB-CD1 4.34Å; E77-Y402 HydrophobicContact CB-CE1 4.46Å; E77-Y402 HydrophobicContact CG-CD1 4.2Å; E77-Y402 HydrophobicContact CG-CE1 3.62Å; E77-Y402 WeakPolarHBondContact OE1-CE1 3.47Å
78T64.1Low77.9Confident16 Ų1636.1 Ų36.110%0.09818%0.181CC..SBendtrans-63.1-29.1175.2-52.30000114.6R206 F207 L208 S257T78-R206 VanDerWaalsContact CG2-NH2 3.35Å; T78-R206 PolarHBondContact OG1-NH2 2.96Å; T78-F207 PolarHBondContact N-O 3.29Å; T78-F207 PolarHBondContact OG1-O 3.48Å; T78-L208 WeakPolarHBondContact OG1-CD2 3.41Å; T78-S257 PolarHBondContact O-N 3.21Å
79K57.9Low77.1Confident54 Ų5440.9 Ų40.924%0.23521%0.207CC..SBendtrans-104.8-15.6-165.8-67.3-177.3-178.8175.20115.1E77 S259 M260 I263E77-K79 VanDerWaalsContact C-N 3.32Å; E77-K79 PolarHBondContact O-N 3.27Å; K79-S259 VanDerWaalsContact CE-O 3.23Å; K79-S259 WeakPolarHBondContact CE-O 3.31Å; K79-M260 HydrophobicContact CD-CB 4.26Å; K79-I263 HydrophobicContact CD-CB 4.26Å; K79-I263 HydrophobicContact CD-CD1 4.23Å; K79-I263 HydrophobicContact CD-CG2 4.16Å
80S56.2Low76.8Confident20 Ų2039.8 Ų39.814%0.1420%0.2CC..  trans-125.4148.2178.965.40000110.3L82S80-L82 PolarHBondContact O-N 3.09Å
81N59.5Low76.4Confident168 Ų16840.4 Ų40.490%0.89820%0.203SC*.SBendtrans-75.59.7169.5-67-17.5000112.1
82L63.6Low76.5Confident68 Ų6839 Ų3936%0.35620%0.197SC..  trans-84.6136.8180-63173.2000109S80 L267S80-L82 PolarHBondContact O-N 3.09Å; L82-L267 HydrophobicContact CB-CD2 3.39Å; L82-L267 WeakPolarHBondContact O-CD2 3.39Å
83Y71.8Confident76.8Confident14 Ų1439 Ų396%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-133.4150.917064.8-86.6000109.2V75 T85 E291 S295 F297V75-Y83 CarbonylContact O-C 3.57Å; V75-Y83 WeakPolarHBondContact O-CA 3.35Å; Y83-T85 WeakPolarHBondContact CE2-OG1 3.31Å; Y83-E291 HydrophobicContact CE2-CB 4.21Å; Y83-E291 VanDerWaalsContact OH-CB 3.22Å; Y83-E291 WeakPolarHBondContact OH-CB 3.45Å; Y83-E291 PolarHBondContact OH-OE2 2.76Å; Y83-S295 PolarHBondContact OH-OG 3.36Å; Y83-F297 HydrophobicContact CD1-CB 3.9Å; Y83-F297 HydrophobicContact CD1-CD2 4.08Å; Y83-F297 HydrophobicContact CD1-CG 4.07Å; Y83-F297 HydrophobicContact CD2-CD2 4.13Å; Y83-F297 HydrophobicContact CE1-CB 3.84Å; Y83-F297 HydrophobicContact CE1-CD2 4.46Å; Y83-F297 HydrophobicContact CE1-CG 4.43Å; Y83-F297 AromaticContact CG-CD2 3.9Å; Y83-F297 HydrophobicContact CG-CD2 3.9Å; Y83-F297 HydrophobicContact CG-CE2 4.47Å; Y83-F297 HydrophobicContact CG-CG 4.31Å
84L75.9Confident77.1Confident25 Ų2538.6 Ų38.613%0.13120%0.195CC..EExtended strand (participates in β ladder)trans-108.1133.3174.4-61.3168.1000108K74 V75 F86 L267K74-L84 CarbonylContact C-O 3.59Å; K74-L84 WeakPolarHBondContact CA-O 3.44Å; V75-L84 HydrophobicContact CB-CB 4.44Å; V75-L84 PolarHBondContact N-O 3.43Å; V75-L84 PolarHBondContact O-N 3.31Å; L84-F86 HydrophobicContact CB-CE2 3.91Å; L84-F86 HydrophobicContact CB-CZ 4.03Å; L84-F86 HydrophobicContact CD1-CZ 4.32Å; L84-L267 HydrophobicContact CD1-CD1 4.41Å; L84-L267 HydrophobicContact CD1-CG 4.43Å
85T77.4Confident77.5Confident13 Ų1337.3 Ų37.38%0.0819%0.189CC..EExtended strand (participates in β ladder)trans-113.1120.6174.2-59.10000109M73 K74 Y83M73-T85 WeakPolarHBondContact O-CA 3.26Å; K74-T85 HydrophobicContact CG-CG2 4.44Å; Y83-T85 WeakPolarHBondContact CE2-OG1 3.31Å
86F78.8Confident78Confident3 Ų337.5 Ų37.51%0.01319%0.19CC..EExtended strand (participates in β ladder)trans-101.1130.9169.9-54.7-79.6000107.7K72 M73 V75 L84 L91 F274 A275 I285K72-F86 CarbonylContact C-O 3.51Å; K72-F86 VanDerWaalsContact CA-O 3.23Å; K72-F86 WeakPolarHBondContact CA-O 3.32Å; M73-F86 HydrophobicContact CB-CB 4.35Å; M73-F86 HydrophobicContact CB-CD2 4.47Å; M73-F86 HydrophobicContact CE-CD2 4.03Å; M73-F86 PolarHBondContact N-O 2.78Å; M73-F86 PolarHBondContact O-N 2.83Å; V75-F86 HydrophobicContact CB-CE2 4.24Å; V75-F86 HydrophobicContact CG2-CD2 4.03Å; V75-F86 HydrophobicContact CG2-CE2 3.71Å; L84-F86 HydrophobicContact CB-CE2 3.91Å; L84-F86 HydrophobicContact CB-CZ 4.03Å; L84-F86 HydrophobicContact CD1-CZ 4.32Å; F86-L91 HydrophobicContact CB-CD1 4.36Å; F86-F274 HydrophobicContact CD2-CE1 4.38Å; F86-F274 AromaticContact CE2-CD1 3.64Å; F86-F274 HydrophobicContact CE2-CD1 3.64Å; F86-F274 AromaticContact CE2-CE1 3.88Å; F86-F274 HydrophobicContact CE2-CE1 3.88Å; F86-F274 AromaticContact CZ-CD1 3.87Å; F86-F274 HydrophobicContact CZ-CD1 3.87Å; F86-A275 HydrophobicContact CE1-CB 3.54Å; F86-A275 HydrophobicContact CZ-CB 4.1Å; F86-I285 HydrophobicContact CB-CG2 4.32Å; F86-I285 HydrophobicContact CD1-CD1 4.21Å; F86-I285 HydrophobicContact CD1-CG2 3.9Å
87Q80.2Confident78.6Confident84 Ų8438.5 Ų38.539%0.39320%0.196SC..EExtended strand (participates in β ladder)trans-135133.8179.7-179.7171.3-23.500111.2N71 K72N71-Q87 WeakPolarHBondContact O-CA 3.46Å; K72-Q87 VanDerWaalsContact CE-OE1 3.26Å; K72-Q87 HydrophobicContact CG-CB 4.16Å; K72-Q87 HydrophobicContact CG-CG 3.86Å
88R77.7Confident79.4Confident61 Ų6139.9 Ų39.923%0.2320%0.204CC..EExtended strand (participates in β ladder)trans-158.3155.2174.8-162171.7-176.6-124.9-14.1109.1D47 N71 P90 L91D47-R88 IonicContact OD2-CZ 2.81Å; D47-R88 IonicContact OD2-NH1 2.77Å; D47-R88 PolarHBondContact OD2-NH1 3.46Å; D47-R88 IonicContact OD2-NH2 3.4Å; D47-R88 PolarHBondContact OD2-NH2 3.36Å; N71-R88 CarbonylContact C-O 3.59Å; N71-R88 VanDerWaalsContact CA-O 3.28Å; N71-R88 WeakPolarHBondContact CA-O 3.42Å; N71-R88 PolarHBondContact O-N 3.3Å; R88-P90 CarbonylContact O-C 3.47Å; R88-P90 WeakPolarHBondContact O-CA 3.5Å; R88-L91 HydrophobicContact CB-CB 4.46Å; R88-L91 HydrophobicContact CB-CD2 3.42Å; R88-L91 VanDerWaalsContact CB-CD2 3.42Å; R88-L91 HydrophobicContact CB-CG 3.69Å; R88-L91 PolarHBondContact O-N 3.24Å
89N78.8Confident80.9Confident133 Ų13339.1 Ų39.171%0.71120%0.199SC*.EExtended strand (participates in β ladder)trans-113.286.8-175.1-69.8-15.2000112.3
90P87.2Confident82.7Confident14 Ų1436.5 Ų36.59%0.09119%0.188CC..EExtended strand (participates in β ladder)cis-91.5170.4-15.534-27.7000112.5P69 V70 R88 Y93P69-P90 HydrophobicContact CB-CB 3.86Å; P69-P90 HydrophobicContact CB-CG 4.34Å; V70-P90 WeakPolarHBondContact O-CB 3.31Å; R88-P90 CarbonylContact O-C 3.47Å; R88-P90 WeakPolarHBondContact O-CA 3.5Å; P90-Y93 HydrophobicContact CG-CD2 4Å; P90-Y93 HydrophobicContact CG-CE1 4.17Å; P90-Y93 HydrophobicContact CG-CE2 3.32Å; P90-Y93 VanDerWaalsContact CG-CZ 3.43Å
91L84.4Confident84.5Confident19 Ų1937.4 Ų37.410%0.09919%0.191CC..EExtended strand (participates in β ladder)trans-71.8-42.5167-72.3165000111.4V70 M73 F86 R88 V278V70-L91 HydrophobicContact CG1-CD1 4.42Å; V70-L91 WeakPolarHBondContact O-CB 3.23Å; V70-L91 PolarHBondContact O-N 2.77Å; M73-L91 HydrophobicContact CB-CD1 3.92Å; F86-L91 HydrophobicContact CB-CD1 4.36Å; R88-L91 HydrophobicContact CB-CB 4.46Å; R88-L91 HydrophobicContact CB-CD2 3.42Å; R88-L91 VanDerWaalsContact CB-CD2 3.42Å; R88-L91 HydrophobicContact CB-CG 3.69Å; R88-L91 PolarHBondContact O-N 3.24Å; L91-V278 HydrophobicContact CD2-CG1 4.14Å
92A90.2Very high86.1Confident14 Ų1430 Ų3012%0.11615%0.151CC..EExtended strand (participates in β ladder)trans-161.4170.8-179.500000110.2A44 L45 P69 V70A44-A92 HydrophobicContact CB-CB 4.36Å; L45-A92 CarbonylContact O-C 3.57Å; L45-A92 WeakPolarHBondContact O-CA 3.39Å; L45-A92 WeakPolarHBondContact O-CB 3.43Å; P69-A92 CarbonylContact C-O 3.32Å; V70-A92 PolarHBondContact N-O 3.06Å
93Y94.4Very high87.6Confident42 Ų4227 Ų2717%0.16514%0.135CC..EExtended strand (participates in β ladder)trans-114128.4166.9-67.8-94.4000110L45 V50 W59 Q68 P69 P90L45-Y93 PolarHBondContact N-O 3.21Å; L45-Y93 PolarHBondContact O-N 2.8Å; V50-Y93 HydrophobicContact CG2-CD2 3.8Å; V50-Y93 HydrophobicContact CG2-CE2 4.3Å; W59-Y93 HydrophobicContact CH2-CD1 4.02Å; W59-Y93 AromaticContact CH2-CD2 3.83Å; W59-Y93 HydrophobicContact CH2-CD2 3.83Å; W59-Y93 HydrophobicContact CH2-CE2 4.38Å; W59-Y93 AromaticContact CH2-CG 3.6Å; W59-Y93 HydrophobicContact CH2-CG 3.6Å; W59-Y93 HydrophobicContact CZ2-CD1 4.01Å; W59-Y93 AromaticContact CZ2-CD2 3.94Å; W59-Y93 HydrophobicContact CZ2-CD2 3.94Å; W59-Y93 HydrophobicContact CZ2-CE1 4.1Å; W59-Y93 HydrophobicContact CZ2-CE2 4.02Å; W59-Y93 AromaticContact CZ2-CG 3.91Å; W59-Y93 HydrophobicContact CZ2-CG 3.91Å; Q68-Y93 CarbonylContact O-C 3.5Å; Q68-Y93 WeakPolarHBondContact O-CA 3.47Å; P69-Y93 HydrophobicContact CB-CD1 4.17Å; P69-Y93 HydrophobicContact CB-CE1 4Å; P90-Y93 HydrophobicContact CG-CD2 4Å; P90-Y93 HydrophobicContact CG-CE1 4.17Å; P90-Y93 HydrophobicContact CG-CE2 3.32Å; P90-Y93 VanDerWaalsContact CG-CZ 3.43Å
94I95.1Very high88.7Confident5 Ų526.3 Ų26.33%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-83.9123.4169.9-50.5-52.1000108.4V42 V43 A44 Q68 V70 L216 P217 L218V42-I94 HydrophobicContact CB-CG2 3.7Å; V42-I94 HydrophobicContact CG1-CG2 4.32Å; V42-I94 HydrophobicContact CG2-CG2 3.58Å; V43-I94 WeakPolarHBondContact O-CA 3.44Å; A44-I94 HydrophobicContact CB-CD1 3.66Å; Q68-I94 HydrophobicContact CB-CB 4.46Å; Q68-I94 PolarHBondContact N-O 3.35Å; Q68-I94 PolarHBondContact O-N 2.64Å; V70-I94 HydrophobicContact CG2-CD1 3.73Å; V70-I94 HydrophobicContact CG2-CG1 3.57Å; I94-L216 HydrophobicContact CD1-CB 4.02Å; I94-L216 HydrophobicContact CD1-CD1 4.15Å; I94-L216 HydrophobicContact CG1-CB 4.15Å; I94-P217 WeakPolarHBondContact CB-O 3.29Å; I94-P217 WeakPolarHBondContact CG1-O 3.4Å; I94-L218 HydrophobicContact CG2-CD2 3.55Å
95V95.2Very high89.5Confident2 Ų225.4 Ų25.41%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-136.1142.8-175.7-174.30000109.7V42 V43 L45 I62 L99 V100V42-V95 CarbonylContact C-O 3.58Å; V42-V95 VanDerWaalsContact CA-O 3.28Å; V42-V95 WeakPolarHBondContact CA-O 3.41Å; V42-V95 WeakPolarHBondContact CB-O 3.48Å; V43-V95 HydrophobicContact CG2-CB 4.47Å; V43-V95 WeakPolarHBondContact CG2-O 3.47Å; V43-V95 PolarHBondContact N-O 3.04Å; V43-V95 PolarHBondContact O-N 2.65Å; L45-V95 HydrophobicContact CD1-CB 4.16Å; L45-V95 HydrophobicContact CD1-CG2 3.84Å; L45-V95 HydrophobicContact CG-CG2 4.5Å; I62-V95 HydrophobicContact CG2-CB 4.45Å; I62-V95 HydrophobicContact CG2-CG1 3.54Å; I62-V95 HydrophobicContact CG2-CG2 3.98Å; V95-L99 HydrophobicContact CG1-CB 4.43Å; V95-L99 HydrophobicContact CG1-CD2 4.03Å; V95-L99 HydrophobicContact CG1-CG 4.34Å; V95-V100 HydrophobicContact CB-CG2 4.16Å; V95-V100 HydrophobicContact CG1-CG2 3.61Å
96E93.9Very high90.2Very high5 Ų527.1 Ų27.12%0.02314%0.136CC..EExtended strand (participates in β ladder)trans-65.3136.9174.6-65.5175.5122.300111Y32 Y38 E39 V42 R66 D98 L99 V100Y32-E96 HydrophobicContact CE2-CB 4.33Å; Y32-E96 WeakPolarHBondContact CE2-OE2 3.2Å; Y32-E96 PolarHBondContact OH-OE2 2.91Å; Y38-E96 WeakPolarHBondContact CA-OE1 3.05Å; E39-E96 HydrophobicContact CB-CG 4.32Å; E39-E96 PolarHBondContact N-OE1 2.67Å; V42-E96 HydrophobicContact CG1-CG 4.27Å; R66-E96 WeakPolarHBondContact CD-OE2 3.34Å; R66-E96 IonicContact NH1-OE1 2.81Å; R66-E96 IonicContact NH1-OE2 3.29Å; E96-D98 PolarHBondContact O-N 2.95Å; E96-L99 HydrophobicContact CB-CB 4.15Å; E96-L99 WeakPolarHBondContact O-CB 3.47Å; E96-L99 PolarHBondContact O-N 2.88Å; E96-V100 PolarHBondContact O-N 3.38Å
97N93.1Very high90.9Very high36 Ų3628.7 Ų28.719%0.19314%0.144CC..Hα-helixtrans-60.8-46.6-175.3-171.6-35.2000111.7M1 R41 L99 V100 I101M1-N97 HydrophobicContact CE-CB 3.96Å; M1-N97 WeakPolarHBondContact CE-OD1 3.44Å; R41-N97 HydrophobicContact CB-CB 4.2Å; R41-N97 WeakPolarHBondContact O-CB 3.39Å; R41-N97 PolarHBondContact O-N 3.15Å; N97-L99 VanDerWaalsContact C-N 3.26Å; N97-L99 PolarHBondContact O-N 3.17Å; N97-V100 PolarHBondContact O-N 2.86Å; N97-V100 VanDerWaalsContact O-N 3.15Å; N97-I101 PolarHBondContact O-N 2.74Å; N97-I101 VanDerWaalsContact O-N 3.09Å; N97-I101 VanDerWaalsContact OD1-CD1 3.23Å; N97-I101 WeakPolarHBondContact OD1-CD1 3.25Å
98D92.5Very high91.5Very high41 Ų4124.8 Ų24.822%0.21913%0.125CC..Hα-helixtrans-66.7-29.8-178.6-74.73.3000111.3K30 Y32 E39 E96 I101 E102K30-D98 IonicContact NZ-OD2 3.49Å; Y32-D98 HydrophobicContact CD2-CB 4.21Å; E39-D98 WeakPolarHBondContact OE2-CB 3.43Å; E96-D98 PolarHBondContact O-N 2.95Å; D98-I101 PolarHBondContact O-N 2.78Å; D98-E102 VanDerWaalsContact O-CB 3.24Å; D98-E102 WeakPolarHBondContact O-CB 3.25Å; D98-E102 PolarHBondContact O-N 2.77Å
99L94.6Very high92.1Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-64.5-45.5171.9177.657.9000111.4Y32 F61 I62 F65 R66 V95 E96 N97 I101 E102 S103Y32-L99 HydrophobicContact CD1-CD1 3.91Å; Y32-L99 HydrophobicContact CD2-CB 3.94Å; Y32-L99 HydrophobicContact CE1-CB 4.44Å; Y32-L99 HydrophobicContact CE1-CD1 3.94Å; Y32-L99 HydrophobicContact CE2-CB 3.82Å; Y32-L99 HydrophobicContact CG-CB 4.29Å; Y32-L99 HydrophobicContact CG-CD1 4.33Å; F61-L99 HydrophobicContact CD1-CD1 4.27Å; F61-L99 HydrophobicContact CE1-CD1 3.9Å; I62-L99 HydrophobicContact CG2-CD2 4.28Å; F65-L99 HydrophobicContact CB-CD1 3.85Å; F65-L99 HydrophobicContact CB-CD2 3.83Å; F65-L99 HydrophobicContact CD2-CD1 4.47Å; F65-L99 HydrophobicContact CG-CD1 4.09Å; R66-L99 HydrophobicContact CB-CD2 4.19Å; R66-L99 WeakPolarHBondContact O-CD2 3.49Å; V95-L99 HydrophobicContact CG1-CB 4.43Å; V95-L99 HydrophobicContact CG1-CD2 4.03Å; V95-L99 HydrophobicContact CG1-CG 4.34Å; E96-L99 HydrophobicContact CB-CB 4.15Å; E96-L99 WeakPolarHBondContact O-CB 3.47Å; E96-L99 PolarHBondContact O-N 2.88Å; N97-L99 VanDerWaalsContact C-N 3.26Å; N97-L99 PolarHBondContact O-N 3.17Å; L99-I101 VanDerWaalsContact C-N 3.33Å; L99-I101 PolarHBondContact O-N 2.98Å; L99-E102 PolarHBondContact O-N 3.35Å; L99-S103 WeakPolarHBondContact O-CB 3.18Å; L99-S103 PolarHBondContact O-N 3.38Å; L99-S103 PolarHBondContact O-OG 3.11Å
100V95.4Very high92.5Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-61.3-43.9177.4-179.80000110.9M1 V43 L45 I62 V95 E96 N97 S103 L104 F351M1-V100 HydrophobicContact CE-CB 3.78Å; M1-V100 HydrophobicContact CE-CG1 4.07Å; M1-V100 HydrophobicContact CE-CG2 4.28Å; M1-V100 HydrophobicContact CG-CG1 3.95Å; M1-V100 HydrophobicContact SD-CB 4.13Å; M1-V100 HydrophobicContact SD-CG1 3.73Å; V43-V100 HydrophobicContact CG2-CG2 4.09Å; L45-V100 HydrophobicContact CD1-CG2 4.19Å; I62-V100 HydrophobicContact CD1-CG2 4.39Å; V95-V100 HydrophobicContact CB-CG2 4.16Å; V95-V100 HydrophobicContact CG1-CG2 3.61Å; E96-V100 PolarHBondContact O-N 3.38Å; N97-V100 PolarHBondContact O-N 2.86Å; N97-V100 VanDerWaalsContact O-N 3.15Å; V100-S103 PolarHBondContact O-N 3.36Å; V100-L104 HydrophobicContact CG1-CD1 4.03Å; V100-L104 WeakPolarHBondContact O-CG 3.47Å; V100-L104 PolarHBondContact O-N 3.42Å; V100-L104 VanDerWaalsContact O-N 3.11Å; V100-F351 HydrophobicContact CG1-CE2 4.46Å; V100-F351 HydrophobicContact CG1-CZ 4.1Å
101I94.5Very high92.4Very high39 Ų3923.9 Ų23.920%0.213%0.129CC..Hα-helixtrans-63.1-48178.1-66.5172.6000110.7M1 F4 N97 D98 L99 S103 L104 R105M1-I101 HydrophobicContact CB-CD1 4.22Å; M1-I101 HydrophobicContact CB-CG1 3.88Å; M1-I101 HydrophobicContact CE-CG1 4.42Å; M1-I101 HydrophobicContact CG-CG1 4.12Å; F4-I101 HydrophobicContact CD2-CG2 4.18Å; F4-I101 HydrophobicContact CE2-CG2 4.12Å; N97-I101 PolarHBondContact O-N 2.74Å; N97-I101 VanDerWaalsContact O-N 3.09Å; N97-I101 VanDerWaalsContact OD1-CD1 3.23Å; N97-I101 WeakPolarHBondContact OD1-CD1 3.25Å; D98-I101 PolarHBondContact O-N 2.78Å; L99-I101 VanDerWaalsContact C-N 3.33Å; L99-I101 PolarHBondContact O-N 2.98Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 2.8Å; I101-L104 PolarHBondContact O-N 3Å; I101-R105 VanDerWaalsContact O-CB 3.26Å; I101-R105 WeakPolarHBondContact O-CB 3.31Å; I101-R105 PolarHBondContact O-N 2.65Å
102E93.4Very high91.9Very high13 Ų1326.7 Ų26.76%0.06114%0.143CC..Hα-helixtrans-56-46.1177178.768.8-167.500111.4K30 Y32 F61 D98 L99 L104 R105 N106K30-E102 VanDerWaalsContact O-OE2 3.13Å; Y32-E102 PolarHBondContact N-OE2 3.48Å; F61-E102 HydrophobicContact CE1-CG 4.3Å; F61-E102 HydrophobicContact CZ-CG 4.45Å; D98-E102 VanDerWaalsContact O-CB 3.24Å; D98-E102 WeakPolarHBondContact O-CB 3.25Å; D98-E102 PolarHBondContact O-N 2.77Å; L99-E102 PolarHBondContact O-N 3.35Å; E102-L104 PolarHBondContact O-N 3.47Å; E102-R105 WeakPolarHBondContact O-CB 3.41Å; E102-R105 PolarHBondContact O-N 3.05Å; E102-R105 IonicContact OE1-CZ 3.35Å; E102-R105 IonicContact OE1-NH2 2.65Å; E102-R105 PolarHBondContact OE1-NH2 3.41Å; E102-R105 IonicContact OE2-CZ 2.64Å; E102-R105 IonicContact OE2-NE 3.69Å; E102-R105 PolarHBondContact OE2-NE 3.35Å; E102-R105 IonicContact OE2-NH2 2.73Å; E102-R105 PolarHBondContact OE2-NH2 2.77Å; E102-N106 WeakPolarHBondContact CG-ND2 3.48Å; E102-N106 WeakPolarHBondContact O-CB 3.35Å; E102-N106 VanDerWaalsContact O-CG 3.29Å; E102-N106 PolarHBondContact O-N 3.47Å; E102-N106 PolarHBondContact O-ND2 2.86Å; E102-N106 PolarHBondContact OE1-ND2 3.35Å; E102-N106 PolarHBondContact OE1-OD1 3.13Å
103S94.9Very high90.8Very high3 Ų333.5 Ų33.52%0.02118%0.178CC..Hα-helixtrans-64.1-44-176.1-48.30000111F61 I62 L99 V100 I101 H107F61-S103 WeakPolarHBondContact CD1-OG 3.44Å; I62-S103 WeakPolarHBondContact CG1-OG 3.49Å; L99-S103 WeakPolarHBondContact O-CB 3.18Å; L99-S103 PolarHBondContact O-N 3.38Å; L99-S103 PolarHBondContact O-OG 3.11Å; V100-S103 PolarHBondContact O-N 3.36Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 2.8Å; S103-H107 PolarHBondContact O-N 3.36Å; S103-H107 VanDerWaalsContact O-N 3.15Å
104L95.6Very high89.5Confident0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-65.1-41.5174.6-69.9165.2000111.8F4 A8 L53 I56 V58 V100 I101 E102 H107 L108 F351F4-L104 HydrophobicContact CB-CB 3.91Å; F4-L104 HydrophobicContact CB-CD1 3.96Å; A8-L104 HydrophobicContact CB-CD2 3.96Å; L53-L104 HydrophobicContact CD2-CD2 4.03Å; I56-L104 HydrophobicContact CD1-CD2 3.47Å; I56-L104 VanDerWaalsContact CD1-CD2 3.47Å; V58-L104 HydrophobicContact CG1-CD2 4.39Å; V58-L104 HydrophobicContact CG1-CG 4.47Å; V58-L104 HydrophobicContact CG2-CD2 4.42Å; V100-L104 HydrophobicContact CG1-CD1 4.03Å; V100-L104 WeakPolarHBondContact O-CG 3.47Å; V100-L104 PolarHBondContact O-N 3.42Å; V100-L104 VanDerWaalsContact O-N 3.11Å; I101-L104 PolarHBondContact O-N 3Å; E102-L104 PolarHBondContact O-N 3.47Å; L104-H107 PolarHBondContact O-N 3.38Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 2.73Å; L104-F351 HydrophobicContact CD1-CZ 4.34Å
105R92.9Very high88.2Confident7 Ų737.8 Ų37.83%0.02622%0.215CC..Hα-helixtrans-62.7-48.5178.6-175.6-179.768.266.7-4.8111.6F4 K30 I101 E102 H107 L108 E109 Y121F4-R105 HydrophobicContact CD1-CB 4.33Å; F4-R105 HydrophobicContact CE1-CB 4.07Å; F4-R105 HydrophobicContact CE1-CG 4.16Å; K30-R105 PolarHBondContact O-NE 3.47Å; I101-R105 VanDerWaalsContact O-CB 3.26Å; I101-R105 WeakPolarHBondContact O-CB 3.31Å; I101-R105 PolarHBondContact O-N 2.65Å; E102-R105 WeakPolarHBondContact O-CB 3.41Å; E102-R105 PolarHBondContact O-N 3.05Å; E102-R105 IonicContact OE1-CZ 3.35Å; E102-R105 IonicContact OE1-NH2 2.65Å; E102-R105 PolarHBondContact OE1-NH2 3.41Å; E102-R105 IonicContact OE2-CZ 2.64Å; E102-R105 IonicContact OE2-NE 3.69Å; E102-R105 PolarHBondContact OE2-NE 3.35Å; E102-R105 IonicContact OE2-NH2 2.73Å; E102-R105 PolarHBondContact OE2-NH2 2.77Å; R105-H107 VanDerWaalsContact C-N 3.29Å; R105-H107 PolarHBondContact O-N 2.87Å; R105-L108 PolarHBondContact O-N 2.87Å; R105-E109 IonicContact CZ-OE1 3.72Å; R105-E109 IonicContact NH1-OE1 2.76Å; R105-E109 PolarHBondContact NH1-OE1 3.2Å; R105-E109 IonicContact NH1-OE2 3.51Å; R105-E109 PolarHBondContact NH1-OE2 2.93Å; R105-E109 WeakPolarHBondContact O-CB 3.37Å; R105-E109 WeakPolarHBondContact O-CG 3.2Å; R105-E109 PolarHBondContact O-N 3.47Å; R105-Y121 WeakPolarHBondContact CD-OH 3.49Å; R105-Y121 WeakPolarHBondContact CG-OH 3.27Å
106N92.2Very high87.7Confident48 Ų4841.1 Ų41.126%0.25723%0.233SC..Hα-helixtrans-63.2-37179.3-72.5-16.6000111.7E102 S110E102-N106 WeakPolarHBondContact CG-ND2 3.48Å; E102-N106 WeakPolarHBondContact O-CB 3.35Å; E102-N106 VanDerWaalsContact O-CG 3.29Å; E102-N106 PolarHBondContact O-N 3.47Å; E102-N106 PolarHBondContact O-ND2 2.86Å; E102-N106 PolarHBondContact OE1-ND2 3.35Å; E102-N106 PolarHBondContact OE1-OD1 3.13Å; N106-S110 WeakPolarHBondContact O-CB 3.38Å; N106-S110 PolarHBondContact O-N 3.16Å; N106-S110 PolarHBondContact O-OG 2.82Å
107H92.7Very high87.6Confident37 Ų3741 Ų4117%0.17123%0.232CC..Hα-helixtrans-63.7-48.1172.2173.577.4000112.3I56 V58 S103 L104 R105 E109 S110 I111I56-H107 PolarHBondContact O-CE1 3.33Å; I56-H107 PolarHBondContact O-ND1 3.1Å; V58-H107 HydrophobicContact CG2-CB 3.5Å; V58-H107 VanDerWaalsContact CG2-CB 3.5Å; S103-H107 PolarHBondContact O-N 3.36Å; S103-H107 VanDerWaalsContact O-N 3.15Å; L104-H107 PolarHBondContact O-N 3.38Å; R105-H107 VanDerWaalsContact C-N 3.29Å; R105-H107 PolarHBondContact O-N 2.87Å; H107-E109 VanDerWaalsContact C-N 3.31Å; H107-E109 PolarHBondContact O-N 3.36Å; H107-S110 PolarHBondContact O-N 3.17Å; H107-S110 PolarHBondContact O-OG 3.48Å; H107-I111 WeakPolarHBondContact O-CG1 3.38Å; H107-I111 PolarHBondContact O-N 2.76Å; H107-I111 VanDerWaalsContact O-N 3.17Å
108L92.6Very high87.6Confident2 Ų242.9 Ų42.91%0.0125%0.245CC..Hα-helixtrans-61.5-39.4177.2-72.5175.6000112.6F4 A7 A8 A11 L23 L104 R105 I111 N112 V117 I119F4-L108 HydrophobicContact CD1-CD1 3.99Å; A7-L108 HydrophobicContact CB-CD1 3.76Å; A7-L108 HydrophobicContact CB-CD2 4.28Å; A8-L108 HydrophobicContact CB-CD2 4.09Å; A8-L108 HydrophobicContact CB-CG 4.3Å; A11-L108 HydrophobicContact CB-CD2 4.31Å; L23-L108 HydrophobicContact CD2-CD1 4.32Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 2.73Å; R105-L108 PolarHBondContact O-N 2.87Å; L108-I111 HydrophobicContact CD2-CD1 4.13Å; L108-I111 VanDerWaalsContact O-CG1 3.29Å; L108-I111 WeakPolarHBondContact O-CG1 3.47Å; L108-I111 PolarHBondContact O-N 2.99Å; L108-N112 PolarHBondContact O-N 2.86Å; L108-N112 VanDerWaalsContact O-N 3.07Å; L108-V117 HydrophobicContact CD2-CG1 4.16Å; L108-V117 HydrophobicContact CD2-CG2 4.44Å; L108-I119 HydrophobicContact CB-CD1 3.84Å; L108-I119 HydrophobicContact CD1-CD1 3.91Å
109E89.9Confident87.6Confident63 Ų6342.4 Ų42.429%0.29424%0.242SC..Hα-helixtrans-68.4-36.3177-73.8177.7-170.100112.2K29 R105 H107 I111 N112 Y121K29-E109 IonicContact NZ-OE1 3.12Å; K29-E109 PolarHBondContact NZ-OE1 2.88Å; K29-E109 IonicContact NZ-OE2 3.36Å; K29-E109 PolarHBondContact NZ-OE2 3.44Å; R105-E109 IonicContact CZ-OE1 3.72Å; R105-E109 IonicContact NH1-OE1 2.76Å; R105-E109 PolarHBondContact NH1-OE1 3.2Å; R105-E109 IonicContact NH1-OE2 3.51Å; R105-E109 PolarHBondContact NH1-OE2 2.93Å; R105-E109 WeakPolarHBondContact O-CB 3.37Å; R105-E109 WeakPolarHBondContact O-CG 3.2Å; R105-E109 PolarHBondContact O-N 3.47Å; H107-E109 VanDerWaalsContact C-N 3.31Å; H107-E109 PolarHBondContact O-N 3.36Å; E109-I111 VanDerWaalsContact C-N 3.32Å; E109-I111 PolarHBondContact O-N 3.49Å; E109-N112 WeakPolarHBondContact O-CB 3.47Å; E109-N112 PolarHBondContact O-N 2.69Å; E109-Y121 PolarHBondContact OE1-OH 2.86Å
110S88.5Confident87.6Confident86 Ų8644.3 Ų44.360%0.60125%0.252SS*.Hα-helixtrans-69.2-31.1178.574.30000112.7N106 H107N106-S110 WeakPolarHBondContact O-CB 3.38Å; N106-S110 PolarHBondContact O-N 3.16Å; N106-S110 PolarHBondContact O-OG 2.82Å; H107-S110 PolarHBondContact O-N 3.17Å; H107-S110 PolarHBondContact O-OG 3.48Å
111I84.9Confident87.5Confident40 Ų4046.5 Ų46.521%0.20526%0.26CS..Hα-helixtrans-89.4-8.2175.567.7174.3000113.4A11 H107 L108 E109 N113 S114 S115A11-I111 HydrophobicContact CB-CD1 3.62Å; H107-I111 WeakPolarHBondContact O-CG1 3.38Å; H107-I111 PolarHBondContact O-N 2.76Å; H107-I111 VanDerWaalsContact O-N 3.17Å; L108-I111 HydrophobicContact CD2-CD1 4.13Å; L108-I111 VanDerWaalsContact O-CG1 3.29Å; L108-I111 WeakPolarHBondContact O-CG1 3.47Å; L108-I111 PolarHBondContact O-N 2.99Å; E109-I111 VanDerWaalsContact C-N 3.32Å; E109-I111 PolarHBondContact O-N 3.49Å; I111-N113 VanDerWaalsContact C-N 3.26Å; I111-N113 PolarHBondContact O-N 3.46Å; I111-S114 CarbonylContact O-C 3.58Å; I111-S114 WeakPolarHBondContact O-CA 3.39Å; I111-S114 PolarHBondContact O-N 3.43Å; I111-S115 VanDerWaalsContact C-OG 3.29Å; I111-S115 WeakPolarHBondContact CG1-OG 3.47Å; I111-S115 VanDerWaalsContact O-CB 3.27Å; I111-S115 WeakPolarHBondContact O-CB 3.38Å; I111-S115 PolarHBondContact O-N 3.46Å; I111-S115 PolarHBondContact O-OG 2.86Å
112N72.6Confident87.4Confident77 Ų7747.9 Ų47.941%0.41227%0.266SS..G310 helixtrans-58.2-35.6-173.4-17018.9000112.8L108 E109 S114 S115 V117L108-N112 PolarHBondContact O-N 2.86Å; L108-N112 VanDerWaalsContact O-N 3.07Å; E109-N112 WeakPolarHBondContact O-CB 3.47Å; E109-N112 PolarHBondContact O-N 2.69Å; N112-S114 PolarHBondContact O-N 2.97Å; N112-S114 VanDerWaalsContact O-N 3.16Å; N112-S115 PolarHBondContact O-N 3.43Å; N112-S115 VanDerWaalsContact O-O 3.1Å; N112-V117 PolarHBondContact OD1-O 2.92Å
113N67.7Low87.5Confident157 Ų15747.4 Ų47.484%0.8426%0.264SS*.G310 helixtrans-66.6-16176-69.3-25.5000113.9I111I111-N113 VanDerWaalsContact C-N 3.26Å; I111-N113 PolarHBondContact O-N 3.46Å
114S66.4Low87.4Confident117 Ų11750.6 Ų50.682%0.81828%0.279SS*.G310 helixtrans-121.5-2.3-177.2-56.10000113.4I111 N112I111-S114 CarbonylContact O-C 3.58Å; I111-S114 WeakPolarHBondContact O-CA 3.39Å; I111-S114 PolarHBondContact O-N 3.43Å; N112-S114 PolarHBondContact O-N 2.97Å; N112-S114 VanDerWaalsContact O-N 3.16Å
115S67.9Low87.4Confident21 Ų2151.8 Ų51.815%0.14729%0.289CS..SBendtrans-128.8156.5-173.167.70000111I111 N112 V117I111-S115 VanDerWaalsContact C-OG 3.29Å; I111-S115 WeakPolarHBondContact CG1-OG 3.47Å; I111-S115 VanDerWaalsContact O-CB 3.27Å; I111-S115 WeakPolarHBondContact O-CB 3.38Å; I111-S115 PolarHBondContact O-N 3.46Å; I111-S115 PolarHBondContact O-OG 2.86Å; N112-S115 PolarHBondContact O-N 3.43Å; N112-S115 VanDerWaalsContact O-O 3.1Å; S115-V117 PolarHBondContact O-N 3.41Å
116N85.3Confident87.4Confident72 Ų7255 Ų5539%0.38530%0.304SS..  trans-88.233.3-178.3-62.4-29.6000111.9K18 K19 N20 I21K18-N116 PolarHBondContact O-ND2 3.25Å; K19-N116 VanDerWaalsContact O-CB 3.26Å; K19-N116 WeakPolarHBondContact O-CB 3.35Å; N20-N116 WeakPolarHBondContact CA-O 3.23Å; N20-N116 WeakPolarHBondContact OD1-CB 3.17Å; I21-N116 PolarHBondContact N-O 2.93Å
117V92.4Very high87.5Confident3 Ų357.4 Ų57.42%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-99.7114.6-176.2-173.40000110.7A11 I21 L108 N112 S115 I119A11-V117 HydrophobicContact CB-CG2 3.58Å; I21-V117 HydrophobicContact CB-CG1 4.49Å; I21-V117 HydrophobicContact CB-CG2 4.23Å; I21-V117 HydrophobicContact CD1-CG2 4.21Å; I21-V117 HydrophobicContact CG2-CG1 4.38Å; I21-V117 CarbonylContact O-C 3.48Å; I21-V117 WeakPolarHBondContact O-CA 3.36Å; L108-V117 HydrophobicContact CD2-CG1 4.16Å; L108-V117 HydrophobicContact CD2-CG2 4.44Å; N112-V117 PolarHBondContact OD1-O 2.92Å; S115-V117 PolarHBondContact O-N 3.41Å; V117-I119 HydrophobicContact CG1-CG1 4.32Å
118T92.8Very high87.7Confident74 Ų7456.5 Ų56.545%0.45431%0.313SS..EExtended strand (participates in β ladder)trans-104.8129.7171.9-58.50000110I21 L22 L23 L120I21-T118 PolarHBondContact O-N 2.99Å; L22-T118 WeakPolarHBondContact CA-O 3.44Å; L22-T118 HydrophobicContact CD1-CG2 3.87Å; L23-T118 PolarHBondContact N-O 2.83Å; T118-L120 HydrophobicContact CG2-CD2 4.1Å; T118-L120 HydrophobicContact CG2-CG 4.38Å
119I93.5Very high87.9Confident31 Ų3161.9 Ų61.916%0.15934%0.338CS..EExtended strand (participates in β ladder)trans-111.6123175.2-50176.7000108.9F4 L23 L108 V117 Y121F4-I119 HydrophobicContact CE1-CD1 4.34Å; F4-I119 HydrophobicContact CE1-CG2 4.48Å; L23-I119 HydrophobicContact CB-CG1 4.36Å; L23-I119 HydrophobicContact CB-CG2 4.47Å; L23-I119 HydrophobicContact CD2-CG1 4.36Å; L23-I119 HydrophobicContact CD2-CG2 4.22Å; L23-I119 HydrophobicContact CG-CG2 4.41Å; L23-I119 WeakPolarHBondContact O-CA 3.49Å; L108-I119 HydrophobicContact CB-CD1 3.84Å; L108-I119 HydrophobicContact CD1-CD1 3.91Å; V117-I119 HydrophobicContact CG1-CG1 4.32Å; I119-Y121 HydrophobicContact CB-CE2 4.29Å; I119-Y121 HydrophobicContact CG2-CD2 4.29Å; I119-Y121 HydrophobicContact CG2-CE1 4.11Å; I119-Y121 HydrophobicContact CG2-CE2 3.75Å
120L93.1Very high88.2Confident40 Ų4061.2 Ų61.221%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-109.3116173.5-59.1-178.9000109.4L22 L23 L24 E25 T118 A123 V144L22-L120 HydrophobicContact CD1-CD1 3.82Å; L22-L120 HydrophobicContact CD1-CG 3.86Å; L23-L120 PolarHBondContact O-N 2.88Å; L24-L120 HydrophobicContact CD2-CB 3.94Å; L24-L120 HydrophobicContact CD2-CD1 3.79Å; L24-L120 HydrophobicContact CD2-CG 4.25Å; E25-L120 PolarHBondContact N-O 3.11Å; T118-L120 HydrophobicContact CG2-CD2 4.1Å; T118-L120 HydrophobicContact CG2-CG 4.38Å; L120-A123 HydrophobicContact CB-CB 3.7Å; L120-A123 WeakPolarHBondContact O-CB 3.18Å; L120-V144 HydrophobicContact CD1-CG1 4.09Å
121Y93.4Very high88.4Confident46 Ų4658.1 Ų58.118%0.1831%0.314CS..EExtended strand (participates in β ladder)trans-88.3158175.4-62.8-83.7000111.4F4 E25 K29 R105 E109 I119 A123F4-Y121 HydrophobicContact CZ-CE1 4.14Å; E25-Y121 HydrophobicContact CB-CD1 4.11Å; E25-Y121 HydrophobicContact CB-CE1 4.5Å; E25-Y121 HydrophobicContact CG-CD1 4.08Å; E25-Y121 HydrophobicContact CG-CE1 4.44Å; E25-Y121 CarbonylContact O-C 3.55Å; E25-Y121 VanDerWaalsContact O-C 3.32Å; E25-Y121 WeakPolarHBondContact O-CA 3.28Å; K29-Y121 HydrophobicContact CB-CD1 4.05Å; K29-Y121 HydrophobicContact CB-CD2 4.37Å; K29-Y121 HydrophobicContact CB-CE1 4.05Å; K29-Y121 HydrophobicContact CB-CE2 4.38Å; K29-Y121 HydrophobicContact CB-CG 4.22Å; K29-Y121 HydrophobicContact CD-CE2 4.34Å; R105-Y121 WeakPolarHBondContact CD-OH 3.49Å; R105-Y121 WeakPolarHBondContact CG-OH 3.27Å; E109-Y121 PolarHBondContact OE1-OH 2.86Å; I119-Y121 HydrophobicContact CB-CE2 4.29Å; I119-Y121 HydrophobicContact CG2-CD2 4.29Å; I119-Y121 HydrophobicContact CG2-CE1 4.11Å; I119-Y121 HydrophobicContact CG2-CE2 3.75Å; Y121-A123 PolarHBondContact O-N 3.47Å; Y121-A123 VanDerWaalsContact O-N 3.1Å
122E93.1Very high88.6Confident69 Ų6958.8 Ų58.832%0.32232%0.323SS..THydrogen-bonded Turntrans49.232.9-174-52.7-167.3175.500112.9E25 S27 R147 T148E25-E122 WeakPolarHBondContact O-CA 3.36Å; E25-E122 PolarHBondContact O-N 3.22Å; S27-E122 PolarHBondContact O-N 2.9Å; E122-R147 HydrophobicContact CB-CB 4.31Å; E122-R147 PolarHBondContact O-N 3.37Å; E122-T148 HydrophobicContact CB-CG2 4.19Å; E122-T148 HydrophobicContact CG-CG2 4.24Å; E122-T148 WeakPolarHBondContact OE2-CG2 3.44Å
123A94.2Very high89.1Confident2 Ų266.7 Ų66.72%0.01735%0.347CS..EExtended strand (participates in β ladder)trans-112.9135-174.600000110L24 E25 S26 L120 Y121 V144 Q145 Q146L24-A123 HydrophobicContact CB-CB 4.47Å; L24-A123 HydrophobicContact CD2-CB 4.18Å; E25-A123 CarbonylContact C-O 3.55Å; E25-A123 PolarHBondContact O-N 2.78Å; S26-A123 WeakPolarHBondContact CA-O 3.27Å; L120-A123 HydrophobicContact CB-CB 3.7Å; L120-A123 WeakPolarHBondContact O-CB 3.18Å; Y121-A123 PolarHBondContact O-N 3.47Å; Y121-A123 VanDerWaalsContact O-N 3.1Å; A123-V144 HydrophobicContact CB-CG1 4.08Å; A123-Q145 WeakPolarHBondContact CA-O 3.25Å; A123-Q146 HydrophobicContact CB-CG 4.03Å
124Q93.5Very high90.2Very high70 Ų7065.7 Ų65.733%0.32734%0.341SS..EExtended strand (participates in β ladder)trans-129.3143.5176.7-65.1-173-46.700110.4V144 Q145Q124-V144 WeakPolarHBondContact O-CA 3.3Å; Q124-Q145 PolarHBondContact N-O 2.83Å; Q124-Q145 PolarHBondContact O-N 3.36Å
125A95Very high91.3Very high25 Ų2564 Ų6421%0.20732%0.32CS..EExtended strand (participates in β ladder)trans-80.4133.3170.900000110L24 I128 L142 D143 L169L24-A125 HydrophobicContact CD1-CB 4.1Å; A125-I128 HydrophobicContact CB-CD1 4.21Å; A125-I128 HydrophobicContact CB-CG1 4.38Å; A125-L142 HydrophobicContact CB-CD1 3.57Å; A125-D143 CarbonylContact C-O 3.51Å; A125-D143 WeakPolarHBondContact CA-O 3.5Å; A125-L169 WeakPolarHBondContact O-CD2 3.11Å
126E93.9Very high92.2Very high74 Ų7465.9 Ų65.935%0.34633%0.332SS..EExtended strand (participates in β ladder)trans-131.4163.8175.2-64.6-174.9178.200109.5I128 D143E126-I128 PolarHBondContact O-N 2.91Å; E126-D143 HydrophobicContact CB-CB 4.47Å; E126-D143 PolarHBondContact N-O 3.46Å; E126-D143 PolarHBondContact O-N 3.37Å
127N94.4Very high92.4Very high100 Ų10067.4 Ų67.454%0.53534%0.337SS..EExtended strand (participates in β ladder)trans46.844.1172.8-72.3-5.9000114.8Q129 D143 R152N127-Q129 PolarHBondContact O-N 3.4Å; N127-D143 HydrophobicContact CB-CB 4.47Å; N127-D143 WeakPolarHBondContact CB-OD2 3.08Å; N127-D143 PolarHBondContact ND2-OD2 3.12Å; N127-R152 PolarHBondContact ND2-NH2 3.09Å
128I97.4Very high92.5Very high17 Ų1771.5 Ų71.59%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-65.7121.7179.7-61.3159.5000109.3A125 E126 L130 V140 L142 L160 L169 V170 T173A125-I128 HydrophobicContact CB-CD1 4.21Å; A125-I128 HydrophobicContact CB-CG1 4.38Å; E126-I128 PolarHBondContact O-N 2.91Å; I128-L130 HydrophobicContact CG2-CD2 3.73Å; I128-L130 HydrophobicContact CG2-CG 4.24Å; I128-V140 HydrophobicContact CG2-CG1 4.19Å; I128-L142 HydrophobicContact CB-CB 4.48Å; I128-L142 HydrophobicContact CG1-CB 3.86Å; I128-L160 HydrophobicContact CD1-CD2 4.12Å; I128-L160 HydrophobicContact CG1-CD2 4.33Å; I128-L160 HydrophobicContact CG2-CD2 3.59Å; I128-L169 HydrophobicContact CD1-CD2 4.01Å; I128-L169 HydrophobicContact CD1-CG 4.07Å; I128-V170 HydrophobicContact CD1-CG2 4.15Å; I128-T173 HydrophobicContact CB-CG2 3.89Å; I128-T173 HydrophobicContact CG2-CG2 3.85Å; I128-T173 VanDerWaalsContact O-CG2 3.23Å; I128-T173 WeakPolarHBondContact O-CG2 3.47Å
129Q96.3Very high92.6Very high115 Ų11570.9 Ų70.954%0.53735%0.349SS..EExtended strand (participates in β ladder)trans-110.8118.4174.2-61.2173.520.500108.7N127 R141N127-Q129 PolarHBondContact O-N 3.4Å; Q129-R141 HydrophobicContact CB-CB 4.3Å; Q129-R141 PolarHBondContact N-O 2.98Å; Q129-R141 PolarHBondContact O-N 2.76Å
130L95.8Very high92.8Very high50 Ų5069.4 Ų69.426%0.26234%0.341SS..PPolyproline II helixtrans-95.9154.3179.4-59.7-178.1000110.5I128 V140 T173 A174 V329I128-L130 HydrophobicContact CG2-CD2 3.73Å; I128-L130 HydrophobicContact CG2-CG 4.24Å; L130-V140 HydrophobicContact CD2-CG1 3.89Å; L130-V140 HydrophobicContact CD2-CG2 4Å; L130-T173 HydrophobicContact CD1-CG2 4.02Å; L130-T173 HydrophobicContact CG-CG2 4.02Å; L130-A174 VanDerWaalsContact CD1-CA 3.42Å; L130-A174 HydrophobicContact CD1-CB 3.87Å; L130-V329 HydrophobicContact CD1-CG2 3.96Å; L130-V329 HydrophobicContact CD2-CG2 3.45Å; L130-V329 VanDerWaalsContact CD2-CG2 3.45Å; L130-V329 HydrophobicContact CG-CG2 4.34Å
131P92.5Very high93Very high20 Ų2072.6 Ų72.613%0.1335%0.351CS..PPolyproline II helixtrans-56.5142.2173.524.9-36.4000111.4H135 H138 T327 R328P131-H135 WeakPolarHBondContact CB-O 3.17Å; P131-H138 HydrophobicContact CB-CB 4.18Å; P131-T327 HydrophobicContact CG-CG2 3.99Å; P131-R328 HydrophobicContact CG-CB 4.37Å; P131-R328 HydrophobicContact CG-CG 4.27Å
132S88.5Confident93.2Very high55 Ų5570.8 Ų70.839%0.38534%0.344SS..PPolyproline II helixtrans-70.6164.517168.60000110.3D134 H135S132-D134 PolarHBondContact O-N 3.45Å; S132-H135 CarbonylContact O-C 3.33Å; S132-H135 PolarHBondContact O-N 2.77Å; S132-H135 PolarHBondContact OG-N 2.83Å
133R84.8Confident93.4Very high242 Ų24268.4 Ų68.491%0.91333%0.334SS*.SBendtrans-64.4-29.4175.9-69.3-175.2177.2-170.3-0112.8
134D89.1Confident93.5Very high136 Ų13668.4 Ų68.473%0.72733%0.334SS*.SBendtrans-80-23.1-179.8-52.7-46.8000112.3S132 P136S132-D134 PolarHBondContact O-N 3.45Å; D134-P136 VanDerWaalsContact C-CD 3.45Å
135H90.4Very high93.4Very high82 Ų8266.8 Ų66.838%0.3833%0.326SS..  trans-12962.8-179.5-63.1-68.5000112.1P131 S132 E137 H138P131-H135 WeakPolarHBondContact CB-O 3.17Å; S132-H135 CarbonylContact O-C 3.33Å; S132-H135 PolarHBondContact O-N 2.77Å; S132-H135 PolarHBondContact OG-N 2.83Å; H135-E137 VanDerWaalsContact CA-OE2 3.24Å; H135-E137 WeakPolarHBondContact CA-OE2 3.18Å; H135-E137 IonicContact CG-OE1 3.63Å; H135-E137 IonicContact ND1-OE1 3Å; H135-E137 PolarHBondContact ND1-OE1 3.26Å; H135-E137 PolarHBondContact O-N 2.65Å; H135-H138 VanDerWaalsContact CB-CE1 3.44Å; H135-H138 WeakPolarHBondContact CB-CE1 3.05Å; H135-H138 VanDerWaalsContact CB-ND1 3.34Å; H135-H138 WeakPolarHBondContact CB-ND1 3.27Å; H135-H138 AromaticContact CG-CE1 3.6Å; H135-H138 WeakPolarHBondContact O-CB 3.41Å; H135-H138 PolarHBondContact O-N 3.39Å; H135-H138 VanDerWaalsContact O-N 3.13Å
136P87.3Confident93.2Very high60 Ų6066.7 Ų66.739%0.3932%0.321SS..THydrogen-bonded Turntrans-62.7-19.9179.428.7-36.3000113.1D134 H138 T327 R328D134-P136 VanDerWaalsContact C-CD 3.45Å; P136-H138 VanDerWaalsContact C-N 3.29Å; P136-H138 PolarHBondContact O-N 3.41Å; P136-T327 HydrophobicContact CB-CG2 3.9Å; P136-R328 PolarHBondContact O-NE 2.84Å
137E88.9Confident92.7Very high105 Ų10570.3 Ų70.349%0.49133%0.332SS..THydrogen-bonded Turntrans-70.3-20.817673.5-74.5177.300113.5H135 R328H135-E137 VanDerWaalsContact CA-OE2 3.24Å; H135-E137 WeakPolarHBondContact CA-OE2 3.18Å; H135-E137 IonicContact CG-OE1 3.63Å; H135-E137 IonicContact ND1-OE1 3Å; H135-E137 PolarHBondContact ND1-OE1 3.26Å; H135-E137 PolarHBondContact O-N 2.65Å; E137-R328 PolarHBondContact O-NH2 3.41Å
138H93.8Very high92Very high88 Ų8869.8 Ų69.841%0.40733%0.332SS..SBendtrans-64140.5179.1-73169.7000112P131 H135 P136 R328P131-H138 HydrophobicContact CB-CB 4.18Å; H135-H138 VanDerWaalsContact CB-CE1 3.44Å; H135-H138 WeakPolarHBondContact CB-CE1 3.05Å; H135-H138 VanDerWaalsContact CB-ND1 3.34Å; H135-H138 WeakPolarHBondContact CB-ND1 3.27Å; H135-H138 AromaticContact CG-CE1 3.6Å; H135-H138 WeakPolarHBondContact O-CB 3.41Å; H135-H138 PolarHBondContact O-N 3.39Å; H135-H138 VanDerWaalsContact O-N 3.13Å; P136-H138 VanDerWaalsContact C-N 3.29Å; P136-H138 PolarHBondContact O-N 3.41Å; H138-R328 WeakPolarHBondContact O-CD 3.19Å; H138-R328 PolarHBondContact O-NE 2.78Å
139L95.8Very high91.1Very high61 Ų6175 Ų7532%0.31936%0.356SS..PPolyproline II helixtrans-68.2154.7175.8-60.7-179.9000111.1E156 D158L139-E156 HydrophobicContact CB-CB 4.24Å; L139-E156 HydrophobicContact CD1-CB 3.98Å; L139-D158 HydrophobicContact CD2-CB 4.48Å; L139-D158 WeakPolarHBondContact CD2-OD1 3.19Å
140V97.5Very high90.3Very high0 Ų076.3 Ų76.30%037%0.367CS..EExtended strand (participates in β ladder)trans-73.9129.3168.7176.40000108I128 L130 L142 E156 T157 L160 R328I128-V140 HydrophobicContact CG2-CG1 4.19Å; L130-V140 HydrophobicContact CD2-CG1 3.89Å; L130-V140 HydrophobicContact CD2-CG2 4Å; V140-L142 HydrophobicContact CG1-CD2 4.27Å; V140-E156 CarbonylContact O-C 3.44Å; V140-E156 VanDerWaalsContact O-CA 3.26Å; V140-E156 WeakPolarHBondContact O-CA 3.17Å; V140-T157 HydrophobicContact CB-CG2 3.95Å; V140-T157 HydrophobicContact CG1-CG2 4.36Å; V140-T157 PolarHBondContact N-O 2.82Å; V140-T157 PolarHBondContact O-N 2.65Å; V140-L160 HydrophobicContact CG1-CB 4.03Å; V140-L160 HydrophobicContact CG1-CD2 3.98Å; V140-L160 HydrophobicContact CG2-CB 4.42Å; V140-R328 HydrophobicContact CG2-CB 3.65Å
141R97.8Very high89.7Confident108 Ų10878.5 Ų78.541%0.40837%0.374SS..EExtended strand (participates in β ladder)trans-108.2135.4173-61-174.6161.9110.29.7109.5Q129 V155 E156Q129-R141 HydrophobicContact CB-CB 4.3Å; Q129-R141 PolarHBondContact N-O 2.98Å; Q129-R141 PolarHBondContact O-N 2.76Å; R141-V155 WeakPolarHBondContact CA-O 3.3Å; R141-E156 HydrophobicContact CG-CG 4.08Å; R141-E156 IonicContact CZ-OE1 3.14Å; R141-E156 IonicContact NE-OE1 3.68Å; R141-E156 PolarHBondContact NE-OE1 3.35Å; R141-E156 IonicContact NH2-OE1 2.77Å; R141-E156 PolarHBondContact NH2-OE1 2.58Å; R141-E156 IonicContact NH2-OE2 3.92Å
142L97.6Very high89.6Confident7 Ų783.2 Ų83.24%0.03739%0.39CS..EExtended strand (participates in β ladder)trans-144.7152.4173.162.2144.7000110.6L24 A125 I128 V140 V144 T154 V155 T157 L160L24-L142 HydrophobicContact CD1-CD1 4.11Å; A125-L142 HydrophobicContact CB-CD1 3.57Å; I128-L142 HydrophobicContact CB-CB 4.48Å; I128-L142 HydrophobicContact CG1-CB 3.86Å; V140-L142 HydrophobicContact CG1-CD2 4.27Å; L142-V144 HydrophobicContact CD1-CG2 4.07Å; L142-T154 CarbonylContact O-C 3.4Å; L142-T154 WeakPolarHBondContact O-CA 3.31Å; L142-V155 HydrophobicContact CG-CB 4.49Å; L142-V155 PolarHBondContact N-O 3.12Å; L142-V155 PolarHBondContact O-N 3.06Å; L142-T157 HydrophobicContact CD2-CG2 4.16Å; L142-L160 HydrophobicContact CD2-CD1 4.49Å
143D96.7Very high89.9Confident19 Ų1985.2 Ų85.210%0.10239%0.393CS..EExtended strand (participates in β ladder)trans-93.1132.1170.6-64.1-39.9000109.4A125 E126 N127 R152 T154A125-D143 CarbonylContact C-O 3.51Å; A125-D143 WeakPolarHBondContact CA-O 3.5Å; E126-D143 HydrophobicContact CB-CB 4.47Å; E126-D143 PolarHBondContact N-O 3.46Å; E126-D143 PolarHBondContact O-N 3.37Å; N127-D143 HydrophobicContact CB-CB 4.47Å; N127-D143 WeakPolarHBondContact CB-OD2 3.08Å; N127-D143 PolarHBondContact ND2-OD2 3.12Å; D143-R152 HydrophobicContact CB-CG 4.26Å; D143-R152 IonicContact OD2-CZ 2.83Å; D143-R152 IonicContact OD2-NE 3.75Å; D143-R152 PolarHBondContact OD2-NE 2.77Å; D143-R152 IonicContact OD2-NH2 2.95Å; D143-R152 PolarHBondContact OD2-NH2 2.78Å; D143-T154 WeakPolarHBondContact OD1-CB 3.38Å; D143-T154 PolarHBondContact OD1-OG1 3.26Å
144V95.8Very high90.4Very high3 Ų377.8 Ų77.82%0.01838%0.375CS..EExtended strand (participates in β ladder)trans-104.4114.2174.9-178.30000107.9L24 L120 A123 Q124 L142 R152 E153 V155L24-V144 HydrophobicContact CD1-CG1 4.25Å; L24-V144 HydrophobicContact CD1-CG2 3.84Å; L24-V144 HydrophobicContact CD2-CG1 3.76Å; L24-V144 HydrophobicContact CD2-CG2 4.2Å; L120-V144 HydrophobicContact CD1-CG1 4.09Å; A123-V144 HydrophobicContact CB-CG1 4.08Å; Q124-V144 WeakPolarHBondContact O-CA 3.3Å; L142-V144 HydrophobicContact CD1-CG2 4.07Å; V144-R152 WeakPolarHBondContact O-CA 3.35Å; V144-E153 PolarHBondContact N-O 3.48Å; V144-E153 PolarHBondContact O-N 3.01Å; V144-V155 HydrophobicContact CG2-CB 4.33Å; V144-V155 HydrophobicContact CG2-CG2 3.72Å
145Q92.4Very high90.8Very high36 Ų3673 Ų7317%0.16835%0.35CS..EExtended strand (participates in β ladder)trans-98.6115.1174.3-177.863.545.800109.3A123 Q124A123-Q145 WeakPolarHBondContact CA-O 3.25Å; Q124-Q145 PolarHBondContact N-O 2.83Å; Q124-Q145 PolarHBondContact O-N 3.36Å
146Q89.6Confident91.1Very high23 Ų2373.7 Ų73.711%0.10735%0.353CS..EExtended strand (participates in β ladder)trans-94120.9170.2-70.1-174.32800109.9A123 N150 K151A123-Q146 HydrophobicContact CB-CG 4.03Å; Q146-N150 WeakPolarHBondContact O-CA 3.17Å; Q146-N150 PolarHBondContact O-N 3.46Å; Q146-N150 VanDerWaalsContact O-N 3.16Å; Q146-K151 PolarHBondContact N-O 3.5Å; Q146-K151 PolarHBondContact O-N 3.32Å
147R84.6Confident91.6Very high150 Ų15072.9 Ų72.957%0.56635%0.348SS*.THydrogen-bonded Turntrans-68.6-37.9-176.7-65.4-179.4178.7-166.8-1.7112.6E122E122-R147 HydrophobicContact CB-CB 4.31Å; E122-R147 PolarHBondContact O-N 3.37Å
148T78.9Confident91.9Very high89 Ų8970.3 Ų70.355%0.54634%0.337SS..THydrogen-bonded Turntrans-62.8-44.9-179.449.50000113.3E122E122-T148 HydrophobicContact CB-CG2 4.19Å; E122-T148 HydrophobicContact CG-CG2 4.24Å; E122-T148 WeakPolarHBondContact OE2-CG2 3.44Å
149Q79.2Confident92.1Very high127 Ų12767.1 Ų67.159%0.59332%0.323SS*.THydrogen-bonded Turntrans-94.7-5.2-173.4-63.3-173.3-4.800113K151Q149-K151 HydrophobicContact CB-CB 3.9Å; Q149-K151 PolarHBondContact O-N 3.1Å
150N79.3Confident92.2Very high142 Ų14265.1 Ų65.176%0.75931%0.313SS*.THydrogen-bonded Turntrans46.932.3-168-153.920.2000112.4Q146Q146-N150 WeakPolarHBondContact O-CA 3.17Å; Q146-N150 PolarHBondContact O-N 3.46Å; Q146-N150 VanDerWaalsContact O-N 3.16Å
151K83.9Confident92.3Very high95 Ų9567.1 Ų67.141%0.41333%0.325SS..EExtended strand (participates in β ladder)trans-100.6132.3-175.8-170.5-168.3-178.1-155.20108.6Q146 Q149 E153Q146-K151 PolarHBondContact N-O 3.5Å; Q146-K151 PolarHBondContact O-N 3.32Å; Q149-K151 HydrophobicContact CB-CB 3.9Å; Q149-K151 PolarHBondContact O-N 3.1Å; K151-E153 IonicContact NZ-OE2 3.83Å; K151-E153 PolarHBondContact NZ-OE2 2.84Å
152R90.2Very high92.3Very high120 Ų12062 Ų6245%0.45331%0.306SS..EExtended strand (participates in β ladder)trans-112.2130.2170.7-170.9178.71791549.7109.1N127 D143 V144N127-R152 PolarHBondContact ND2-NH2 3.09Å; D143-R152 HydrophobicContact CB-CG 4.26Å; D143-R152 IonicContact OD2-CZ 2.83Å; D143-R152 IonicContact OD2-NE 3.75Å; D143-R152 PolarHBondContact OD2-NE 2.77Å; D143-R152 IonicContact OD2-NH2 2.95Å; D143-R152 PolarHBondContact OD2-NH2 2.78Å; V144-R152 WeakPolarHBondContact O-CA 3.35Å
153E93.7Very high92.3Very high96 Ų9663.7 Ų63.745%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-136134.8178.4-175.9171.5164.500109.8V144 K151V144-E153 PolarHBondContact N-O 3.48Å; V144-E153 PolarHBondContact O-N 3.01Å; K151-E153 IonicContact NZ-OE2 3.83Å; K151-E153 PolarHBondContact NZ-OE2 2.84Å
154T96.2Very high92.2Very high87 Ų8766 Ų6653%0.53433%0.333SS..EExtended strand (participates in β ladder)trans-86.5128.6174.9-53.60000109.2L142 D143L142-T154 CarbonylContact O-C 3.4Å; L142-T154 WeakPolarHBondContact O-CA 3.31Å; D143-T154 WeakPolarHBondContact OD1-CB 3.38Å; D143-T154 PolarHBondContact OD1-OG1 3.26Å
155V96.7Very high92.1Very high34 Ų3467 Ų6721%0.20634%0.343CS..EExtended strand (participates in β ladder)trans-115.9137.2179.4178.10000109.3L22 R141 L142 V144L22-V155 HydrophobicContact CD2-CG1 4Å; L22-V155 HydrophobicContact CD2-CG2 4.18Å; R141-V155 WeakPolarHBondContact CA-O 3.3Å; L142-V155 HydrophobicContact CG-CB 4.49Å; L142-V155 PolarHBondContact N-O 3.12Å; L142-V155 PolarHBondContact O-N 3.06Å; V144-V155 HydrophobicContact CG2-CB 4.33Å; V144-V155 HydrophobicContact CG2-CG2 3.72Å
156E97.5Very high92Very high97 Ų9769.8 Ų69.845%0.45336%0.355SS..EExtended strand (participates in β ladder)trans-107.4138.9169.9-49.1-164156.500110.3L139 V140 R141L139-E156 HydrophobicContact CB-CB 4.24Å; L139-E156 HydrophobicContact CD1-CB 3.98Å; V140-E156 CarbonylContact O-C 3.44Å; V140-E156 VanDerWaalsContact O-CA 3.26Å; V140-E156 WeakPolarHBondContact O-CA 3.17Å; R141-E156 HydrophobicContact CG-CG 4.08Å; R141-E156 IonicContact CZ-OE1 3.14Å; R141-E156 IonicContact NE-OE1 3.68Å; R141-E156 PolarHBondContact NE-OE1 3.35Å; R141-E156 IonicContact NH2-OE1 2.77Å; R141-E156 PolarHBondContact NH2-OE1 2.58Å; R141-E156 IonicContact NH2-OE2 3.92Å
157T97.4Very high92.1Very high44 Ų4473.4 Ų73.427%0.2738%0.375SS..EExtended strand (participates in β ladder)trans-144.8150.7179.1-177.40000112.6V140 L142 L159 L160V140-T157 HydrophobicContact CB-CG2 3.95Å; V140-T157 HydrophobicContact CG1-CG2 4.36Å; V140-T157 PolarHBondContact N-O 2.82Å; V140-T157 PolarHBondContact O-N 2.65Å; L142-T157 HydrophobicContact CD2-CG2 4.16Å; T157-L159 VanDerWaalsContact C-N 3.33Å; T157-L159 WeakPolarHBondContact CG2-O 3.49Å; T157-L159 PolarHBondContact OG1-N 3.15Å; T157-L159 PolarHBondContact OG1-O 3.13Å; T157-L160 HydrophobicContact CG2-CB 4.44Å
158D96.3Very high92.7Very high51 Ų5166.2 Ų66.227%0.27335%0.348SS..SBendtrans-68.8-31.9173.2-86.6-61000113.2L139 R328 N370 I371L139-D158 HydrophobicContact CD2-CB 4.48Å; L139-D158 WeakPolarHBondContact CD2-OD1 3.19Å; D158-R328 VanDerWaalsContact CA-NH1 3.31Å; D158-R328 VanDerWaalsContact O-CB 3.31Å; D158-R328 WeakPolarHBondContact O-CB 3.5Å; D158-R328 WeakPolarHBondContact O-CD 3.34Å; D158-R328 VanDerWaalsContact O-CG 3.28Å; D158-R328 WeakPolarHBondContact O-CG 3.4Å; D158-R328 PolarHBondContact O-NH1 3.33Å; D158-R328 IonicContact OD1-CZ 3.78Å; D158-R328 IonicContact OD1-NH1 2.85Å; D158-R328 PolarHBondContact OD1-NH1 3.27Å; D158-R328 IonicContact OD1-NH2 3.81Å; D158-N370 PolarHBondContact OD1-ND2 3.46Å; D158-I371 HydrophobicContact CB-CD1 3.94Å; D158-I371 HydrophobicContact CB-CG1 3.78Å
159L97.7Very high93.5Very high20 Ų2065.6 Ų65.611%0.10534%0.341CS..  trans-144.7129.3-175.7175.865000109.7T157 V161 A330 L361 I371 L377T157-L159 VanDerWaalsContact C-N 3.33Å; T157-L159 WeakPolarHBondContact CG2-O 3.49Å; T157-L159 PolarHBondContact OG1-N 3.15Å; T157-L159 PolarHBondContact OG1-O 3.13Å; L159-V161 HydrophobicContact CD2-CG2 4.02Å; L159-V161 HydrophobicContact CG-CG2 3.96Å; L159-A330 HydrophobicContact CD1-CB 4.43Å; L159-L361 HydrophobicContact CD2-CD1 3.68Å; L159-L361 HydrophobicContact CD2-CD2 3.73Å; L159-L361 HydrophobicContact CD2-CG 4.37Å; L159-I371 HydrophobicContact CB-CD1 3.99Å; L159-I371 HydrophobicContact CB-CG1 4.1Å; L159-L377 HydrophobicContact CD1-CD1 4.12Å; L159-L377 HydrophobicContact CD1-CD2 4.29Å
160L98.3Very high94.4Very high20 Ų2060 Ų6011%0.10532%0.315CS..EExtended strand (participates in β ladder)trans-106.8124.2170.5176.563.3000109.6I128 V140 L142 T157 V170 R328 V329 A330I128-L160 HydrophobicContact CD1-CD2 4.12Å; I128-L160 HydrophobicContact CG1-CD2 4.33Å; I128-L160 HydrophobicContact CG2-CD2 3.59Å; V140-L160 HydrophobicContact CG1-CB 4.03Å; V140-L160 HydrophobicContact CG1-CD2 3.98Å; V140-L160 HydrophobicContact CG2-CB 4.42Å; L142-L160 HydrophobicContact CD2-CD1 4.49Å; T157-L160 HydrophobicContact CG2-CB 4.44Å; L160-V170 HydrophobicContact CD2-CG1 3.96Å; L160-V170 HydrophobicContact CD2-CG2 4.1Å; L160-V170 HydrophobicContact CG-CG1 4.07Å; L160-V170 HydrophobicContact CG-CG2 4.28Å; L160-R328 PolarHBondContact N-O 2.83Å; L160-V329 VanDerWaalsContact O-CA 3.29Å; L160-V329 WeakPolarHBondContact O-CA 2.89Å; L160-A330 PolarHBondContact O-N 2.85Å
161V98.6Very high95.2Very high42 Ų4253.6 Ų53.626%0.25528%0.28SS..EExtended strand (participates in β ladder)trans-109.7118.2176.4-170.20000110.8L6 L159 A163 A330 V332 L357L6-V161 HydrophobicContact CD2-CB 3.8Å; L6-V161 HydrophobicContact CD2-CG1 3.45Å; L6-V161 VanDerWaalsContact CD2-CG1 3.45Å; L6-V161 HydrophobicContact CD2-CG2 4.05Å; L159-V161 HydrophobicContact CD2-CG2 4.02Å; L159-V161 HydrophobicContact CG-CG2 3.96Å; V161-A163 PolarHBondContact O-N 2.69Å; V161-A330 CarbonylContact C-O 3.53Å; V161-A330 VanDerWaalsContact CA-O 3.31Å; V161-A330 WeakPolarHBondContact CA-O 3.42Å; V161-A330 HydrophobicContact CG1-CB 4.26Å; V161-A330 HydrophobicContact CG2-CB 4.26Å; V161-V332 HydrophobicContact CG1-CG1 4.07Å; V161-V332 HydrophobicContact CG1-CG2 3.95Å; V161-L357 HydrophobicContact CG1-CD2 3.97Å; V161-L357 HydrophobicContact CG2-CD2 4.25Å
162G98.1Very high95.9Very high1 Ų154.4 Ų54.41%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-80.5102.2174.200000111.2A330 V332 S335G162-A330 PolarHBondContact N-O 2.82Å; G162-V332 PolarHBondContact O-N 3.17Å; G162-V332 VanDerWaalsContact O-N 3.13Å; G162-S335 WeakPolarHBondContact O-CB 3.44Å; G162-S335 PolarHBondContact O-OG 3.48Å
163A97.2Very high96.2Very high41 Ų4151.1 Ų51.134%0.33928%0.277SS..  trans-112.13116900000111.4V161 V332V161-A163 PolarHBondContact O-N 2.69Å; A163-V332 HydrophobicContact CB-CG2 3.72Å
164D95.6Very high96.2Very high69 Ų6947.4 Ų47.437%0.36926%0.263SS..SBendtrans-98.916.8-166.758.7-26000114.1S168 L169 V170D164-S168 WeakPolarHBondContact OD1-CB 3.2Å; D164-S168 PolarHBondContact OD1-OG 3.07Å; D164-S168 WeakPolarHBondContact OD2-CA 3.35Å; D164-S168 PolarHBondContact OD2-OG 2.94Å; D164-S168 VanDerWaalsContact OD2-OG 3.12Å; D164-L169 PolarHBondContact OD2-N 3.13Å; D164-V170 PolarHBondContact OD2-N 3.1Å
165G92.9Very high96.1Very high22 Ų2249 Ų4923%0.22727%0.268CS..  trans79.5-172.5168.800000115.7N167 S168 D334 S335G165-N167 PolarHBondContact O-N 2.59Å; G165-N167 VanDerWaalsContact O-N 3.08Å; G165-S168 WeakPolarHBondContact O-CA 3.42Å; G165-S168 WeakPolarHBondContact O-CB 3.3Å; G165-S168 PolarHBondContact O-N 3.34Å; G165-D334 CarbonylContact C-O 3.58Å; G165-S335 VanDerWaalsContact O-CA 3.28Å; G165-S335 WeakPolarHBondContact O-CA 3.23Å
166F89.6Confident96Very high95 Ų9548.2 Ų48.242%0.41726%0.262SS..THydrogen-bonded Turntrans-59.1-30.1-169.481.6-87.3000114.2S168 R171 Q319 D334 R338F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 2.96Å; F166-R171 PolarHBondContact O-NH1 3.49Å; F166-R171 PolarHBondContact O-NH2 2.82Å; F166-Q319 PolarHBondContact O-NE2 3.37Å; F166-D334 VanDerWaalsContact CA-O 3.26Å; F166-D334 WeakPolarHBondContact CA-O 3.2Å; F166-D334 PolarHBondContact N-O 3.49Å; F166-R338 HydrophobicContact CB-CB 4.42Å; F166-R338 HydrophobicContact CB-CG 4.47Å
167N92.3Very high95.8Very high99 Ų9949.4 Ų49.453%0.52927%0.268SS..THydrogen-bonded Turntrans-9427.2178.3-160.828.3000113.1G165 L169 K172G165-N167 PolarHBondContact O-N 2.59Å; G165-N167 VanDerWaalsContact O-N 3.08Å; N167-L169 PolarHBondContact O-N 2.93Å; N167-K172 WeakPolarHBondContact OD1-CE 3.41Å; N167-K172 PolarHBondContact OD1-NZ 3Å
168S96.6Very high95.5Very high0 Ų050.1 Ų50.10%027%0.272CS..  trans-40.6123-174.8177.80000114.3D164 G165 F166 V170 R171 K172D164-S168 WeakPolarHBondContact OD1-CB 3.2Å; D164-S168 PolarHBondContact OD1-OG 3.07Å; D164-S168 WeakPolarHBondContact OD2-CA 3.35Å; D164-S168 PolarHBondContact OD2-OG 2.94Å; D164-S168 VanDerWaalsContact OD2-OG 3.12Å; G165-S168 WeakPolarHBondContact O-CA 3.42Å; G165-S168 WeakPolarHBondContact O-CB 3.3Å; G165-S168 PolarHBondContact O-N 3.34Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 2.96Å; S168-V170 PolarHBondContact OG-N 3.45Å; S168-R171 WeakPolarHBondContact OG-CB 3.27Å; S168-R171 PolarHBondContact OG-N 3.01Å; S168-K172 VanDerWaalsContact O-CG 3.31Å; S168-K172 WeakPolarHBondContact O-CG 3.43Å; S168-K172 PolarHBondContact O-N 3.4Å
169L96.7Very high95.1Very high75 Ų7549.5 Ų49.539%0.39327%0.268SS..Hα-helixtrans-70.3-43.6169.5178.363.4000109.8A125 I128 D164 N167 R171 K172 T173A125-L169 WeakPolarHBondContact O-CD2 3.11Å; I128-L169 HydrophobicContact CD1-CD2 4.01Å; I128-L169 HydrophobicContact CD1-CG 4.07Å; D164-L169 PolarHBondContact OD2-N 3.13Å; N167-L169 PolarHBondContact O-N 2.93Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 2.75Å; L169-K172 PolarHBondContact O-N 3.33Å; L169-K172 VanDerWaalsContact O-N 3.12Å; L169-T173 PolarHBondContact O-N 3.18Å; L169-T173 PolarHBondContact O-OG1 3.38Å; L169-T173 VanDerWaalsContact O-OG1 3.09Å
170V97.7Very high94.5Very high10 Ų1050.5 Ų50.56%0.06128%0.284CS..Hα-helixtrans-57.8-45.8-179.2178.70000111.2I128 L160 D164 S168 K172 T173 A174 V329 L331I128-V170 HydrophobicContact CD1-CG2 4.15Å; L160-V170 HydrophobicContact CD2-CG1 3.96Å; L160-V170 HydrophobicContact CD2-CG2 4.1Å; L160-V170 HydrophobicContact CG-CG1 4.07Å; L160-V170 HydrophobicContact CG-CG2 4.28Å; D164-V170 PolarHBondContact OD2-N 3.1Å; S168-V170 PolarHBondContact OG-N 3.45Å; V170-K172 PolarHBondContact O-N 2.86Å; V170-T173 PolarHBondContact O-N 3.09Å; V170-A174 WeakPolarHBondContact O-CB 3.23Å; V170-A174 PolarHBondContact O-N 2.99Å; V170-V329 HydrophobicContact CG1-CG1 3.56Å; V170-L331 HydrophobicContact CB-CD2 4.31Å; V170-L331 HydrophobicContact CG1-CD2 4.02Å
171R97.1Very high93.9Very high8 Ų852.3 Ų52.33%0.0329%0.289CS..Hα-helixtrans-60.6-44.2177-177-177.967.8-120.8-2.4112.3F166 S168 L169 A174 N175 I176 T178 Q319 L331 S335F166-R171 PolarHBondContact O-NH1 3.49Å; F166-R171 PolarHBondContact O-NH2 2.82Å; S168-R171 WeakPolarHBondContact OG-CB 3.27Å; S168-R171 PolarHBondContact OG-N 3.01Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 2.75Å; R171-A174 PolarHBondContact O-N 3.4Å; R171-N175 PolarHBondContact O-N 3.39Å; R171-I176 HydrophobicContact CG-CB 3.82Å; R171-I176 HydrophobicContact CG-CG2 4.03Å; R171-I176 PolarHBondContact O-N 3.31Å; R171-I176 VanDerWaalsContact O-N 3.17Å; R171-T178 VanDerWaalsContact CD-CG2 3.42Å; R171-Q319 VanDerWaalsContact CZ-NE2 3.27Å; R171-Q319 VanDerWaalsContact NH1-NE2 3.19Å; R171-Q319 VanDerWaalsContact NH2-NE2 3.13Å; R171-L331 HydrophobicContact CB-CD1 3.74Å; R171-L331 HydrophobicContact CB-CD2 3.9Å; R171-L331 HydrophobicContact CG-CD1 3.6Å; R171-S335 WeakPolarHBondContact CD-O 3.22Å; R171-S335 PolarHBondContact NH1-O 3.45Å
172K96.8Very high93.2Very high112 Ų11256.5 Ų56.549%0.48731%0.31SS..Hα-helixtrans-64.2-45.4179.7-72172.4-174.1174.30111N167 S168 L169 V170 A174 N175N167-K172 WeakPolarHBondContact OD1-CE 3.41Å; N167-K172 PolarHBondContact OD1-NZ 3Å; S168-K172 VanDerWaalsContact O-CG 3.31Å; S168-K172 WeakPolarHBondContact O-CG 3.43Å; S168-K172 PolarHBondContact O-N 3.4Å; L169-K172 PolarHBondContact O-N 3.33Å; L169-K172 VanDerWaalsContact O-N 3.12Å; V170-K172 PolarHBondContact O-N 2.86Å; K172-A174 VanDerWaalsContact C-N 3.3Å; K172-A174 PolarHBondContact O-N 2.86Å; K172-N175 PolarHBondContact O-N 2.86Å
173T96.5Very high92.2Very high51 Ų5156.6 Ų56.631%0.31331%0.31SS..Hα-helixtrans-62.3-38.7176.7-540000111.8I128 L130 L169 V170 N175I128-T173 HydrophobicContact CB-CG2 3.89Å; I128-T173 HydrophobicContact CG2-CG2 3.85Å; I128-T173 VanDerWaalsContact O-CG2 3.23Å; I128-T173 WeakPolarHBondContact O-CG2 3.47Å; L130-T173 HydrophobicContact CD1-CG2 4.02Å; L130-T173 HydrophobicContact CG-CG2 4.02Å; L169-T173 PolarHBondContact O-N 3.18Å; L169-T173 PolarHBondContact O-OG1 3.38Å; L169-T173 VanDerWaalsContact O-OG1 3.09Å; V170-T173 PolarHBondContact O-N 3.09Å; T173-N175 PolarHBondContact O-N 3.48Å; T173-N175 VanDerWaalsContact O-N 3.13Å
174A95.1Very high91.6Very high18 Ų1858.7 Ų58.715%0.14932%0.316CS..THydrogen-bonded Turntrans-70.7-0.4174.800000114.3L130 V170 R171 K172 I176 A326 V329L130-A174 VanDerWaalsContact CD1-CA 3.42Å; L130-A174 HydrophobicContact CD1-CB 3.87Å; V170-A174 WeakPolarHBondContact O-CB 3.23Å; V170-A174 PolarHBondContact O-N 2.99Å; R171-A174 PolarHBondContact O-N 3.4Å; K172-A174 VanDerWaalsContact C-N 3.3Å; K172-A174 PolarHBondContact O-N 2.86Å; A174-I176 HydrophobicContact CB-CD1 3.73Å; A174-I176 HydrophobicContact CB-CG1 3.85Å; A174-I176 PolarHBondContact O-N 2.85Å; A174-I176 VanDerWaalsContact O-N 3.16Å; A174-A326 HydrophobicContact CB-CB 4.31Å; A174-V329 HydrophobicContact CB-CG1 4.11Å
175N94.5Very high91.3Very high119 Ų11955.5 Ų55.564%0.63630%0.299SS*.THydrogen-bonded Turntrans52.234-176.5-162.522.8000113R171 K172 T173 H177R171-N175 PolarHBondContact O-N 3.39Å; K172-N175 PolarHBondContact O-N 2.86Å; T173-N175 PolarHBondContact O-N 3.48Å; T173-N175 VanDerWaalsContact O-N 3.13Å; N175-H177 PolarHBondContact O-N 2.88Å; N175-H177 PolarHBondContact O-ND1 2.99Å
176I94.3Very high91.3Very high18 Ų1856.7 Ų56.79%0.09230%0.297CS..  trans-83.5116.1178.5-67.8170.5000107.8R171 A174 A321 F323 A326 L331R171-I176 HydrophobicContact CG-CB 3.82Å; R171-I176 HydrophobicContact CG-CG2 4.03Å; R171-I176 PolarHBondContact O-N 3.31Å; R171-I176 VanDerWaalsContact O-N 3.17Å; A174-I176 HydrophobicContact CB-CD1 3.73Å; A174-I176 HydrophobicContact CB-CG1 3.85Å; A174-I176 PolarHBondContact O-N 2.85Å; A174-I176 VanDerWaalsContact O-N 3.16Å; I176-A321 HydrophobicContact CG2-CB 3.85Å; I176-F323 WeakPolarHBondContact CG2-O 3.47Å; I176-A326 HydrophobicContact CD1-CB 4.33Å; I176-L331 HydrophobicContact CD1-CD1 3.74Å; I176-L331 HydrophobicContact CD1-CG 4.33Å; I176-L331 HydrophobicContact CG2-CD1 4.28Å
177H92.9Very high91.4Very high123 Ų12352.1 Ų52.157%0.56928%0.278SS*.  trans-72.3144.3-178.2-66.768.9000110.4N175 T322N175-H177 PolarHBondContact O-N 2.88Å; N175-H177 PolarHBondContact O-ND1 2.99Å; H177-T322 HydrophobicContact CB-CG2 4.12Å; H177-T322 WeakPolarHBondContact O-CB 3.35Å; H177-T322 WeakPolarHBondContact O-CG2 3.47Å; H177-T322 PolarHBondContact O-N 3Å; H177-T322 PolarHBondContact O-OG1 2.85Å
178T91.5Very high91.6Very high58 Ų5847.4 Ų47.436%0.35625%0.252SS..EExtended strand (participates in β ladder)trans-115.4144.5174.456.30000111.5R171 Q319 H320 A321R171-T178 VanDerWaalsContact CD-CG2 3.42Å; T178-Q319 HydrophobicContact CG2-CG 3.97Å; T178-H320 CarbonylContact C-O 3.19Å; T178-H320 VanDerWaalsContact CA-O 3.3Å; T178-H320 WeakPolarHBondContact CA-O 3.31Å; T178-A321 HydrophobicContact CG2-CB 4.4Å
179I86.9Confident91.6Very high38 Ų3848 Ų4820%0.19526%0.256CS..EExtended strand (participates in β ladder)trans-103.7125.2167.9-62.2155.8000106.5W181 Q319 H320 T322 N433I179-W181 HydrophobicContact CG2-CZ3 4.08Å; I179-Q319 CarbonylContact O-C 3.5Å; I179-Q319 WeakPolarHBondContact O-CA 3.44Å; I179-H320 PolarHBondContact N-O 3.42Å; I179-H320 PolarHBondContact O-N 2.96Å; I179-T322 HydrophobicContact CD1-CG2 4.26Å; I179-N433 HydrophobicContact CD1-CB 3.92Å; I179-N433 WeakPolarHBondContact CD1-O 3.35Å; I179-N433 HydrophobicContact CG1-CB 4.19Å; I179-N433 HydrophobicContact CG2-CB 3.86Å
180G86.1Confident91.5Very high41 Ų4144.4 Ų44.442%0.42324%0.237SC..EExtended strand (participates in β ladder)trans-169.8164.7-17800000113.6F318G180-F318 CarbonylContact C-O 3.52Å; G180-F318 WeakPolarHBondContact CA-O 3.43Å
181W85.1Confident91.5Very high58 Ų5843.9 Ų43.922%0.2223%0.234CC..EExtended strand (participates in β ladder)trans-150.5154.1173.549.286.8000109.8I179 H183 G317 F318 E396 F430I179-W181 HydrophobicContact CG2-CZ3 4.08Å; W181-H183 AromaticContact CD1-CE1 3.58Å; W181-H183 AromaticContact CD1-NE2 3.66Å; W181-H183 AromaticContact NE1-CE1 3.16Å; W181-H183 PolarHBondContact NE1-CE1 3.2Å; W181-H183 AromaticContact NE1-ND1 3.98Å; W181-H183 AromaticContact NE1-NE2 3.34Å; W181-H183 PolarHBondContact NE1-NE2 3.43Å; W181-G317 WeakPolarHBondContact O-CA 3.3Å; W181-F318 HydrophobicContact CD2-CB 4.45Å; W181-F318 HydrophobicContact CD2-CD1 4.08Å; W181-F318 AromaticContact CE2-CD1 3.81Å; W181-F318 AromaticContact CE3-CD1 3.96Å; W181-F318 HydrophobicContact CE3-CD1 3.96Å; W181-F318 AromaticContact CH2-CD1 3.2Å; W181-F318 HydrophobicContact CH2-CD1 3.2Å; W181-F318 AromaticContact CH2-CE1 3.41Å; W181-F318 HydrophobicContact CH2-CE1 3.41Å; W181-F318 VanDerWaalsContact CH2-CE1 3.41Å; W181-F318 HydrophobicContact CH2-CG 4.16Å; W181-F318 HydrophobicContact CZ2-CB 4.17Å; W181-F318 AromaticContact CZ2-CD1 3.4Å; W181-F318 HydrophobicContact CZ2-CD1 3.4Å; W181-F318 VanDerWaalsContact CZ2-CD1 3.4Å; W181-F318 HydrophobicContact CZ2-CE1 4.02Å; W181-F318 AromaticContact CZ2-CG 3.93Å; W181-F318 HydrophobicContact CZ2-CG 3.93Å; W181-F318 AromaticContact CZ3-CD1 3.54Å; W181-F318 HydrophobicContact CZ3-CD1 3.54Å; W181-F318 AromaticContact CZ3-CE1 3.77Å; W181-F318 HydrophobicContact CZ3-CE1 3.77Å; W181-F318 PolarHBondContact N-O 2.57Å; W181-F318 PolarHBondContact O-N 2.88Å; W181-E396 HydrophobicContact CZ2-CG 3.95Å; W181-E396 WeakPolarHBondContact CZ2-OE2 3.39Å; W181-E396 PolarHBondContact NE1-OE2 3.41Å; W181-F430 AromaticContact CH2-CD2 3.83Å; W181-F430 HydrophobicContact CH2-CD2 3.83Å; W181-F430 HydrophobicContact CH2-CE2 4.39Å; W181-F430 HydrophobicContact CZ2-CD2 4.46Å
182N83.4Confident91.5Very high130 Ų13043.5 Ų43.570%0.69523%0.233SC*.EExtended strand (participates in β ladder)trans-88.9134.8168.7-67.3-34.3000108.5N184N182-N184 PolarHBondContact O-N 3.3Å
183H77.7Confident91.5Very high3 Ų341.7 Ų41.71%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-77.9-3.1179.7-74.4-78.6000113.7W181 Q185 L316 E396 N399 V406 Y407W181-H183 AromaticContact CD1-CE1 3.58Å; W181-H183 AromaticContact CD1-NE2 3.66Å; W181-H183 AromaticContact NE1-CE1 3.16Å; W181-H183 PolarHBondContact NE1-CE1 3.2Å; W181-H183 AromaticContact NE1-ND1 3.98Å; W181-H183 AromaticContact NE1-NE2 3.34Å; W181-H183 PolarHBondContact NE1-NE2 3.43Å; H183-Q185 HydrophobicContact CB-CB 3.95Å; H183-Q185 HydrophobicContact CB-CG 3.99Å; H183-Q185 PolarHBondContact O-N 2.89Å; H183-Q185 VanDerWaalsContact O-N 3.14Å; H183-L316 PolarHBondContact N-O 3.49Å; H183-E396 IonicContact CE1-OE1 2.75Å; H183-E396 IonicContact CE1-OE2 3.1Å; H183-E396 PolarHBondContact CE1-OE2 3.29Å; H183-E396 IonicContact NE2-OE1 3.51Å; H183-E396 PolarHBondContact NE2-OE1 2.79Å; H183-E396 IonicContact NE2-OE2 2.63Å; H183-E396 PolarHBondContact NE2-OE2 2.75Å; H183-N399 PolarHBondContact ND1-ND2 3.22Å; H183-V406 WeakPolarHBondContact O-CG1 3.47Å; H183-Y407 PolarHBondContact ND1-OH 2.81Å
184N84.4Confident91.5Very high85 Ų8539.8 Ų39.846%0.45521%0.212SC..EExtended strand (participates in β ladder)trans47.536.7-163.6-162.822.8000111.6N182 S231N182-N184 PolarHBondContact O-N 3.3Å; N184-S231 PolarHBondContact O-N 3.24Å; N184-S231 PolarHBondContact O-OG 3.48Å; N184-S231 VanDerWaalsContact OD1-CB 3.27Å; N184-S231 WeakPolarHBondContact OD1-CB 3.49Å; N184-S231 PolarHBondContact OD1-OG 3.41Å
185Q88.5Confident91.5Very high2 Ų244.5 Ų44.51%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-118151.8174.7-72179-63.900108.3H183 T210 T229 L316 N399 S403 V406H183-Q185 HydrophobicContact CB-CB 3.95Å; H183-Q185 HydrophobicContact CB-CG 3.99Å; H183-Q185 PolarHBondContact O-N 2.89Å; H183-Q185 VanDerWaalsContact O-N 3.14Å; Q185-T210 PolarHBondContact NE2-O 2.97Å; Q185-T229 CarbonylContact C-O 3.56Å; Q185-T229 WeakPolarHBondContact CA-O 3.38Å; Q185-T229 VanDerWaalsContact CB-O 3.25Å; Q185-T229 WeakPolarHBondContact CB-O 3.43Å; Q185-L316 HydrophobicContact CB-CB 4.2Å; Q185-L316 HydrophobicContact CB-CD1 4.06Å; Q185-L316 HydrophobicContact CB-CG 4.49Å; Q185-L316 PolarHBondContact O-N 3.4Å; Q185-N399 PolarHBondContact OE1-ND2 2.87Å; Q185-N399 VanDerWaalsContact OE1-ND2 3.15Å; Q185-S403 PolarHBondContact NE2-OG 3.22Å; Q185-V406 HydrophobicContact CG-CB 4.5Å; Q185-V406 HydrophobicContact CG-CG1 3.86Å; Q185-V406 HydrophobicContact CG-CG2 3.77Å
186K93.2Very high91.4Very high47 Ų4745.4 Ų45.420%0.20423%0.232CC..EExtended strand (participates in β ladder)trans-126.8150.2169-61.4172.1174.7168.80108.8S228 T229 A234 D235 C313 F314K186-S228 WeakPolarHBondContact O-CA 3.31Å; K186-T229 PolarHBondContact N-O 3.23Å; K186-T229 PolarHBondContact O-N 3.48Å; K186-A234 HydrophobicContact CB-CB 3.68Å; K186-A234 HydrophobicContact CD-CB 4.1Å; K186-A234 HydrophobicContact CG-CB 4.38Å; K186-D235 IonicContact NZ-OD1 2.7Å; K186-D235 PolarHBondContact NZ-OD1 3.18Å; K186-D235 IonicContact NZ-OD2 3.65Å; K186-D235 PolarHBondContact NZ-OD2 3.47Å; K186-C313 WeakPolarHBondContact CB-SG 3.41Å; K186-F314 CarbonylContact C-O 3.21Å; K186-F314 VanDerWaalsContact CA-O 3.23Å; K186-F314 WeakPolarHBondContact CA-O 3.5Å; K186-F314 WeakPolarHBondContact CB-O 3.42Å
187A93.1Very high91.3Very high0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-103.9123.6170.900000109.6V226 W227 C313 F314 L316A187-V226 HydrophobicContact CB-CG1 4.16Å; A187-W227 CarbonylContact C-O 3.6Å; A187-W227 WeakPolarHBondContact CA-O 3.04Å; A187-C313 VanDerWaalsContact O-CA 3.3Å; A187-C313 WeakPolarHBondContact O-CA 3.19Å; A187-F314 HydrophobicContact CB-CD2 4.24Å; A187-F314 HydrophobicContact CB-CE1 4.1Å; A187-F314 HydrophobicContact CB-CE2 3.7Å; A187-F314 HydrophobicContact CB-CZ 3.62Å; A187-F314 PolarHBondContact N-O 3.45Å; A187-F314 PolarHBondContact O-N 3.09Å; A187-L316 HydrophobicContact CB-CD1 4.17Å; A187-L316 HydrophobicContact CB-CD2 3.81Å; A187-L316 HydrophobicContact CB-CG 4.14Å
188I96.1Very high91.3Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-87.4132169-59.1171000108V226 W227 A234 L237 M238 F245 A312 C313I188-V226 CarbonylContact O-C 3.55Å; I188-V226 WeakPolarHBondContact O-CA 3.3Å; I188-W227 HydrophobicContact CB-CB 4.31Å; I188-W227 PolarHBondContact N-O 2.92Å; I188-W227 PolarHBondContact O-N 3.28Å; I188-A234 HydrophobicContact CD1-CB 4.29Å; I188-A234 HydrophobicContact CG1-CB 4.31Å; I188-L237 HydrophobicContact CD1-CB 3.58Å; I188-L237 HydrophobicContact CD1-CD1 3.85Å; I188-L237 HydrophobicContact CD1-CG 4.39Å; I188-M238 HydrophobicContact CD1-CG 4.23Å; I188-M238 HydrophobicContact CD1-SD 4.47Å; I188-M238 HydrophobicContact CG1-CG 4.22Å; I188-M238 HydrophobicContact CG1-SD 4.2Å; I188-M238 HydrophobicContact CG2-SD 3.96Å; I188-F245 HydrophobicContact CD1-CE2 4.3Å; I188-F245 HydrophobicContact CG2-CE2 4.35Å; I188-F245 HydrophobicContact CG2-CZ 4.16Å; I188-A312 CarbonylContact C-O 3.6Å; I188-A312 WeakPolarHBondContact CA-O 3.1Å; I188-C313 HydrophobicContact CG1-CB 4.44Å
189V95.4Very high91.2Very high11 Ų1143.7 Ų43.77%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-122.1140.8174.1-63.60000111.4L225 V226 A312 F314V189-L225 VanDerWaalsContact CA-O 3.25Å; V189-L225 WeakPolarHBondContact CA-O 3.4Å; V189-V226 HydrophobicContact CG1-CG1 4.49Å; V189-V226 HydrophobicContact CG1-CG2 4.15Å; V189-A312 HydrophobicContact CG2-CB 3.86Å; V189-A312 PolarHBondContact N-O 3.44Å; V189-A312 PolarHBondContact O-N 2.8Å; V189-F314 HydrophobicContact CG1-CE1 3.56Å; V189-F314 HydrophobicContact CG1-CZ 4.2Å; V189-F314 HydrophobicContact CG2-CE1 4.19Å
190A95.9Very high91.2Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-158.2153.8-179.900000109.9L192 L225 R311A190-L192 HydrophobicContact CB-CD2 3.97Å; A190-L225 HydrophobicContact CB-CB 4.32Å; A190-L225 HydrophobicContact CB-CD2 4.24Å; A190-L225 PolarHBondContact N-O 2.74Å; A190-L225 WeakPolarHBondContact O-CB 3.47Å; A190-L225 PolarHBondContact O-N 3.08Å; A190-R311 HydrophobicContact CB-CG 3.97Å
191T96.8Very high91.5Very high0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-93129.1163.9-58.50000109.3N40 L218 Y222 I305 Q306N40-T191 PolarHBondContact OD1-N 2.9Å; T191-L218 HydrophobicContact CG2-CD1 3.69Å; T191-Y222 HydrophobicContact CG2-CD1 4.1Å; T191-I305 WeakPolarHBondContact O-CG2 3.47Å; T191-Q306 HydrophobicContact CG2-CB 3.77Å; T191-Q306 HydrophobicContact CG2-CG 4.3Å; T191-Q306 PolarHBondContact O-N 3.41Å
192L97Very high91.8Very high0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-120.7146.4-173.3-55.2179.8000111A190 L215 Y222 T223 L225 I246 L249 V302 I305A190-L192 HydrophobicContact CB-CD2 3.97Å; L192-L215 HydrophobicContact CD1-CD2 3.89Å; L192-Y222 CarbonylContact O-C 3.58Å; L192-Y222 VanDerWaalsContact O-CA 3.28Å; L192-Y222 WeakPolarHBondContact O-CA 3.06Å; L192-Y222 WeakPolarHBondContact O-CD1 2.97Å; L192-T223 HydrophobicContact CB-CG2 3.86Å; L192-T223 HydrophobicContact CD1-CG2 4.43Å; L192-T223 PolarHBondContact N-O 3.43Å; L192-T223 PolarHBondContact O-N 2.77Å; L192-L225 HydrophobicContact CD1-CB 3.68Å; L192-L225 HydrophobicContact CD1-CD1 4.19Å; L192-L225 HydrophobicContact CD1-CD2 4.13Å; L192-L225 HydrophobicContact CD1-CG 4.2Å; L192-L225 HydrophobicContact CG-CB 4.02Å; L192-I246 HydrophobicContact CD2-CD1 3.88Å; L192-L249 HydrophobicContact CD1-CD2 3.39Å; L192-V302 HydrophobicContact CB-CG1 3.84Å; L192-V302 HydrophobicContact CD1-CG1 4.05Å; L192-V302 HydrophobicContact CD1-CG2 4.04Å; L192-V302 HydrophobicContact CD2-CG1 4.33Å; L192-V302 HydrophobicContact CG-CG1 4.31Å; L192-I305 HydrophobicContact CD2-CG1 4.05Å
193K96.9Very high92.2Very high74 Ų7436.8 Ų36.832%0.32219%0.189SC..EExtended strand (participates in β ladder)trans-95.2124.6170.5-172.6173.4-177.1174.50110E221 Y222 V302 V303 S304K193-E221 CarbonylContact C-O 3.47Å; K193-E221 WeakPolarHBondContact CA-O 3.25Å; K193-Y222 HydrophobicContact CB-CD1 4.2Å; K193-Y222 HydrophobicContact CB-CE1 3.86Å; K193-Y222 HydrophobicContact CD-CE1 4.49Å; K193-Y222 HydrophobicContact CG-CE1 4.19Å; K193-V302 WeakPolarHBondContact O-CG1 3.23Å; K193-V303 PolarHBondContact O-N 3.17Å; K193-S304 PolarHBondContact N-O 3.01Å
194L96.6Very high92.9Very high10 Ų1037.5 Ų37.55%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-77.2148.6175.4-64.2174.2000111Q196 N198 W204 E221 T223 P300 V302L194-Q196 WeakPolarHBondContact CB-O 3.39Å; L194-N198 HydrophobicContact CD1-CB 3.79Å; L194-W204 HydrophobicContact CD1-CH2 4.3Å; L194-W204 HydrophobicContact CD1-CZ3 4.17Å; L194-E221 PolarHBondContact N-O 2.7Å; L194-T223 HydrophobicContact CD2-CG2 3.83Å; L194-T223 HydrophobicContact CG-CG2 4.13Å; L194-P300 HydrophobicContact CD2-CB 4.2Å; L194-V302 HydrophobicContact CD2-CG2 4.38Å
195E94.5Very high93.1Very high118 Ų11833.7 Ų33.755%0.55117%0.171SC*.SBendtrans-71.4-41.9172-175.6175.4-138.600111.3S301 V303E195-S301 PolarHBondContact N-O 2.69Å; E195-S301 WeakPolarHBondContact OE2-CB 3.26Å; E195-S301 PolarHBondContact OE2-OG 3.18Å; E195-V303 HydrophobicContact CB-CG2 3.57Å; E195-V303 HydrophobicContact CG-CG2 4.06Å
196Q92.4Very high93.1Very high137 Ų13734 Ų3464%0.6417%0.172SC*.SBendtrans-113.6138179.9-63.1176.94.400110L194 N198L194-Q196 WeakPolarHBondContact CB-O 3.39Å; Q196-N198 PolarHBondContact O-N 3.25Å
197A92.8Very high92.7Very high55 Ų5531.9 Ų31.946%0.45516%0.162SC..  trans-65.9124.1-178.800000112N199 K220A197-N199 VanDerWaalsContact C-N 3.29Å; A197-N199 PolarHBondContact O-N 3.17Å; A197-K220 CarbonylContact C-O 3.35Å; A197-K220 VanDerWaalsContact CA-O 3.27Å; A197-K220 WeakPolarHBondContact CA-O 3.5Å; A197-K220 HydrophobicContact CB-CB 4.33Å
198N93.1Very high92.2Very high8 Ų832.4 Ų32.44%0.04317%0.165CC..  trans-79.570.7174.8-173.27.2000111.6L194 Q196 E200 S201 I202 W204 K220L194-N198 HydrophobicContact CD1-CB 3.79Å; Q196-N198 PolarHBondContact O-N 3.25Å; N198-E200 PolarHBondContact O-N 3.07Å; N198-S201 PolarHBondContact O-N 3.5Å; N198-S201 PolarHBondContact OD1-N 3.48Å; N198-I202 PolarHBondContact ND2-N 3.4Å; N198-I202 PolarHBondContact ND2-O 3Å; N198-I202 PolarHBondContact OD1-N 2.81Å; N198-W204 HydrophobicContact CB-CH2 3.86Å; N198-W204 HydrophobicContact CB-CZ3 4.41Å; N198-W204 WeakPolarHBondContact ND2-CH2 3.42Å; N198-W204 VanDerWaalsContact ND2-CZ3 3.28Å; N198-W204 WeakPolarHBondContact ND2-CZ3 3.45Å; N198-K220 PolarHBondContact N-O 3.21Å
199N89.6Confident91.3Very high100 Ų10033.8 Ų33.854%0.53517%0.174SC..THydrogen-bonded Turntrans-64.4-27.3-177.7-71.2-61.9000113.7A197 S201 K220A197-N199 VanDerWaalsContact C-N 3.29Å; A197-N199 PolarHBondContact O-N 3.17Å; N199-S201 VanDerWaalsContact C-N 3.31Å; N199-K220 VanDerWaalsContact OD1-CD 3.31Å; N199-K220 WeakPolarHBondContact OD1-CD 3.04Å; N199-K220 VanDerWaalsContact OD1-CE 3.29Å; N199-K220 WeakPolarHBondContact OD1-CE 3.44Å; N199-K220 PolarHBondContact OD1-NZ 3.02Å
200E86.8Confident90.8Very high94 Ų9434.7 Ų34.744%0.43918%0.18SC..THydrogen-bonded Turntrans-84.4-5.6-179.1-63.5-160.8146.700113.5N71 K72 N198 I202N71-E200 PolarHBondContact ND2-O 3.31Å; K72-E200 IonicContact NZ-OE1 2.86Å; K72-E200 PolarHBondContact NZ-OE1 3.33Å; K72-E200 VanDerWaalsContact NZ-OE1 3.12Å; K72-E200 IonicContact NZ-OE2 3.95Å; K72-E200 PolarHBondContact NZ-OE2 3.13Å; N198-E200 PolarHBondContact O-N 3.07Å; E200-I202 HydrophobicContact CB-CD1 3.89Å; E200-I202 HydrophobicContact CB-CG1 3.78Å
201S91.7Very high90.2Very high13 Ų1334.7 Ų34.79%0.09118%0.18CC..  trans55.451.4-175.4-44.50000112.5Q68 P69 V70 N71 N198 N199Q68-S201 PolarHBondContact NE2-OG 3.02Å; P69-S201 WeakPolarHBondContact O-CB 3.43Å; V70-S201 WeakPolarHBondContact CA-O 3.43Å; N71-S201 PolarHBondContact N-O 2.9Å; N71-S201 VanDerWaalsContact N-O 3.08Å; N198-S201 PolarHBondContact O-N 3.5Å; N198-S201 PolarHBondContact OD1-N 3.48Å; N199-S201 VanDerWaalsContact C-N 3.31Å
202I92.2Very high89.8Confident13 Ų1335.1 Ų35.17%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-80.2132178-61.1157.8000109.4K72 K74 N198 E200 W204K72-I202 HydrophobicContact CB-CG1 4.02Å; K72-I202 HydrophobicContact CD-CG1 4.38Å; K72-I202 CarbonylContact O-C 3.55Å; K72-I202 WeakPolarHBondContact O-CA 3.36Å; K74-I202 HydrophobicContact CB-CG2 4.33Å; K74-I202 HydrophobicContact CD-CG2 4.24Å; K74-I202 HydrophobicContact CG-CG2 3.89Å; N198-I202 PolarHBondContact ND2-N 3.4Å; N198-I202 PolarHBondContact ND2-O 3Å; N198-I202 PolarHBondContact OD1-N 2.81Å; E200-I202 HydrophobicContact CB-CD1 3.89Å; E200-I202 HydrophobicContact CB-CG1 3.78Å; I202-W204 HydrophobicContact CB-CH2 4.35Å; I202-W204 HydrophobicContact CB-CZ2 3.93Å; I202-W204 HydrophobicContact CD1-CZ2 4.32Å; I202-W204 HydrophobicContact CG2-CD2 3.99Å; I202-W204 HydrophobicContact CG2-CG 4.25Å; I202-W204 HydrophobicContact CG2-CZ2 4.05Å; I202-W204 WeakPolarHBondContact O-CZ3 3.17Å
203A91.9Very high89.6Confident2 Ų235.2 Ų35.22%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-89.2141.9159.400000109.9V70 K72 M73 K74 L215 L216V70-A203 HydrophobicContact CG1-CB 3.55Å; K72-A203 PolarHBondContact O-N 2.76Å; M73-A203 CarbonylContact C-O 3.53Å; M73-A203 WeakPolarHBondContact CA-O 3.45Å; M73-A203 HydrophobicContact CB-CB 4.26Å; M73-A203 HydrophobicContact CG-CB 4.09Å; M73-A203 HydrophobicContact SD-CB 4.49Å; K74-A203 PolarHBondContact N-O 3.43Å; A203-L215 CarbonylContact C-O 3.59Å; A203-L215 WeakPolarHBondContact CA-O 3.31Å; A203-L216 HydrophobicContact CB-CD2 4.02Å
204W91.9Very high89.4Confident18 Ų1832.3 Ų32.37%0.06817%0.173CC..EExtended strand (participates in β ladder)trans-117.5136.1178.6-67.8-83.2000109.8K74 W76 L194 N198 I202 A214 L215 P300K74-W204 WeakPolarHBondContact O-CA 3.16Å; W76-W204 HydrophobicContact CH2-CB 3.8Å; W76-W204 HydrophobicContact CH2-CG 4.23Å; W76-W204 HydrophobicContact CZ3-CB 3.6Å; W76-W204 AromaticContact CZ3-CD1 3.74Å; W76-W204 HydrophobicContact CZ3-CG 4.06Å; L194-W204 HydrophobicContact CD1-CH2 4.3Å; L194-W204 HydrophobicContact CD1-CZ3 4.17Å; N198-W204 HydrophobicContact CB-CH2 3.86Å; N198-W204 HydrophobicContact CB-CZ3 4.41Å; N198-W204 WeakPolarHBondContact ND2-CH2 3.42Å; N198-W204 VanDerWaalsContact ND2-CZ3 3.28Å; N198-W204 WeakPolarHBondContact ND2-CZ3 3.45Å; I202-W204 HydrophobicContact CB-CH2 4.35Å; I202-W204 HydrophobicContact CB-CZ2 3.93Å; I202-W204 HydrophobicContact CD1-CZ2 4.32Å; I202-W204 HydrophobicContact CG2-CD2 3.99Å; I202-W204 HydrophobicContact CG2-CG 4.25Å; I202-W204 HydrophobicContact CG2-CZ2 4.05Å; I202-W204 WeakPolarHBondContact O-CZ3 3.17Å; W204-A214 CarbonylContact O-C 3.51Å; W204-A214 VanDerWaalsContact O-CA 3.31Å; W204-A214 WeakPolarHBondContact O-CA 3.43Å; W204-L215 HydrophobicContact CB-CB 4.22Å; W204-L215 HydrophobicContact CE3-CB 4.04Å; W204-L215 PolarHBondContact N-O 3.06Å; W204-L215 PolarHBondContact O-N 2.74Å; W204-P300 HydrophobicContact CB-CG 4.24Å; W204-P300 HydrophobicContact CD2-CB 4.01Å; W204-P300 HydrophobicContact CD2-CG 3.66Å; W204-P300 HydrophobicContact CE3-CB 4.05Å; W204-P300 HydrophobicContact CE3-CG 4.01Å; W204-P300 HydrophobicContact CG-CG 3.77Å; W204-P300 HydrophobicContact CH2-CB 4.05Å; W204-P300 HydrophobicContact CZ2-CB 4.05Å; W204-P300 HydrophobicContact CZ2-CG 4.49Å; W204-P300 HydrophobicContact CZ3-CB 4.06Å
205Q89.6Confident89.4Confident5 Ų531.8 Ų31.82%0.02317%0.17CC..EExtended strand (participates in β ladder)trans-135.4115.6171.8-163.6176.9-6900110.6K74 V75 W76 I213 A214K74-Q205 PolarHBondContact O-N 3.37Å; V75-Q205 VanDerWaalsContact CA-O 3.23Å; V75-Q205 WeakPolarHBondContact CA-O 3.47Å; V75-Q205 HydrophobicContact CG2-CB 4.18Å; W76-Q205 PolarHBondContact N-O 3.29Å; W76-Q205 VanDerWaalsContact N-O 3.1Å; Q205-I213 CarbonylContact C-O 3.42Å; Q205-I213 WeakPolarHBondContact CA-O 3.43Å; Q205-A214 HydrophobicContact CG-CB 4.26Å
206R87.8Confident89.3Confident9 Ų927.4 Ų27.43%0.03415%0.151CC..EExtended strand (participates in β ladder)trans-104.6132.4175.4-171.6177.6171.1159.9-14.4110W76 T78 L208 P212 I213 C252 L253 K255W76-R206 HydrophobicContact CD2-CB 4.07Å; W76-R206 HydrophobicContact CD2-CG 4.17Å; W76-R206 HydrophobicContact CE3-CB 4.42Å; W76-R206 HydrophobicContact CG-CG 4.39Å; W76-R206 HydrophobicContact CH2-CB 4.06Å; W76-R206 HydrophobicContact CZ2-CB 3.67Å; W76-R206 HydrophobicContact CZ2-CG 4.03Å; W76-R206 HydrophobicContact CZ3-CB 4.41Å; W76-R206 VanDerWaalsContact NE1-CD 3.33Å; W76-R206 WeakPolarHBondContact O-CA 3.28Å; T78-R206 VanDerWaalsContact CG2-NH2 3.35Å; T78-R206 PolarHBondContact OG1-NH2 2.96Å; R206-L208 HydrophobicContact CG-CD2 3.98Å; R206-P212 CarbonylContact O-C 3.53Å; R206-P212 VanDerWaalsContact O-CA 3.3Å; R206-P212 WeakPolarHBondContact O-CA 3.41Å; R206-I213 PolarHBondContact N-O 2.83Å; R206-I213 PolarHBondContact O-N 2.81Å; R206-C252 VanDerWaalsContact CD-O 3.26Å; R206-C252 WeakPolarHBondContact CD-O 3.49Å; R206-C252 PolarHBondContact NE-O 2.86Å; R206-C252 VanDerWaalsContact NE-O 3.15Å; R206-C252 PolarHBondContact NH1-O 2.77Å; R206-L253 PolarHBondContact NH1-O 3.4Å; R206-K255 PolarHBondContact NH1-O 3.1Å; R206-K255 PolarHBondContact NH2-O 2.88Å
207F83.8Confident89.5Confident2 Ų220.9 Ų20.91%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-94.3123.8170.5-69.1-79.4000111.4V75 W76 E77 T78 P212 F274 L342 I398 Y402V75-F207 HydrophobicContact CG1-CD2 3.87Å; V75-F207 HydrophobicContact CG1-CE2 3.51Å; W76-F207 PolarHBondContact O-N 3.39Å; E77-F207 HydrophobicContact CG-CB 4.49Å; T78-F207 PolarHBondContact N-O 3.29Å; T78-F207 PolarHBondContact OG1-O 3.48Å; F207-P212 HydrophobicContact CD1-CB 3.88Å; F207-P212 HydrophobicContact CE1-CB 4.06Å; F207-F274 HydrophobicContact CE2-CD2 4.48Å; F207-F274 HydrophobicContact CZ-CD2 4.02Å; F207-F274 HydrophobicContact CZ-CE2 4.22Å; F207-L342 HydrophobicContact CE1-CD1 4.33Å; F207-L342 HydrophobicContact CE1-CD2 4.07Å; F207-L342 HydrophobicContact CZ-CD2 3.97Å; F207-I398 HydrophobicContact CE1-CG2 3.62Å; F207-I398 HydrophobicContact CZ-CG2 3.71Å; F207-Y402 HydrophobicContact CB-CD1 3.71Å; F207-Y402 HydrophobicContact CB-CD2 3.65Å; F207-Y402 HydrophobicContact CB-CE1 3.9Å; F207-Y402 HydrophobicContact CB-CE2 3.69Å; F207-Y402 HydrophobicContact CB-CG 3.61Å; F207-Y402 AromaticContact CD1-CD2 3.18Å; F207-Y402 HydrophobicContact CD1-CD2 3.18Å; F207-Y402 AromaticContact CD1-CE2 3.55Å; F207-Y402 HydrophobicContact CD1-CE2 3.55Å; F207-Y402 AromaticContact CD1-CG 3.81Å; F207-Y402 HydrophobicContact CD1-CG 3.81Å; F207-Y402 HydrophobicContact CD2-CD2 4Å; F207-Y402 AromaticContact CD2-CE2 3.45Å; F207-Y402 HydrophobicContact CD2-CE2 3.45Å; F207-Y402 VanDerWaalsContact CD2-CE2 3.45Å; F207-Y402 AromaticContact CD2-CZ 3.96Å; F207-Y402 AromaticContact CE1-CD2 3.68Å; F207-Y402 HydrophobicContact CE1-CD2 3.68Å; F207-Y402 AromaticContact CE1-CE2 3.92Å; F207-Y402 HydrophobicContact CE1-CE2 3.92Å; F207-Y402 HydrophobicContact CE2-CD2 4.4Å; F207-Y402 AromaticContact CE2-CE2 3.81Å; F207-Y402 HydrophobicContact CE2-CE2 3.81Å; F207-Y402 HydrophobicContact CG-CD1 4.34Å; F207-Y402 AromaticContact CG-CD2 3.35Å; F207-Y402 HydrophobicContact CG-CD2 3.35Å; F207-Y402 HydrophobicContact CG-CE1 4.4Å; F207-Y402 AromaticContact CG-CE2 3.28Å; F207-Y402 HydrophobicContact CG-CE2 3.28Å; F207-Y402 AromaticContact CG-CG 3.86Å; F207-Y402 HydrophobicContact CG-CG 3.86Å; F207-Y402 AromaticContact CG-CZ 3.9Å; F207-Y402 HydrophobicContact CZ-CD2 4.25Å; F207-Y402 HydrophobicContact CZ-CE2 4.02Å
208L83.1Confident89.6Confident11 Ų1118.6 Ų18.66%0.05810%0.1CC..EExtended strand (participates in β ladder)trans-114.7158.1174.7-51.2179.8000110.8T78 R206 T210 G211 I213 C252T78-L208 WeakPolarHBondContact OG1-CD2 3.41Å; R206-L208 HydrophobicContact CG-CD2 3.98Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact O-N 3.09Å; L208-G211 VanDerWaalsContact CB-O 3.28Å; L208-G211 WeakPolarHBondContact CB-O 3.41Å; L208-G211 PolarHBondContact N-O 3.15Å; L208-G211 PolarHBondContact O-N 2.73Å; L208-I213 HydrophobicContact CD1-CD1 3.52Å; L208-I213 HydrophobicContact CD1-CG1 3.91Å; L208-I213 HydrophobicContact CG-CD1 4.43Å; L208-I213 HydrophobicContact CG-CG1 4.48Å; L208-C252 HydrophobicContact CD1-CB 4.12Å
209P77.9Confident89.6Confident29 Ų2919.3 Ų19.319%0.18811%0.106CC..THydrogen-bonded Turntrans-53.7-25.9172.8-29.737.8000115.6Y402 S403 T404 D405P209-Y402 CarbonylContact C-O 3.47Å; P209-Y402 WeakPolarHBondContact CA-O 3.23Å; P209-S403 CarbonylContact O-C 3.52Å; P209-S403 VanDerWaalsContact O-CA 3.26Å; P209-S403 WeakPolarHBondContact O-CA 3.47Å; P209-T404 PolarHBondContact O-N 3.25Å; P209-T404 VanDerWaalsContact O-N 3.13Å; P209-D405 PolarHBondContact O-N 3.06Å; P209-D405 VanDerWaalsContact O-N 3.07Å
210T83.6Confident89.8Confident31 Ų3120.4 Ų20.419%0.1911%0.106CC..THydrogen-bonded Turntrans-90-19.4179.651.40000113.3Q185 L208 T229 D405 V406Q185-T210 PolarHBondContact NE2-O 2.97Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact O-N 3.09Å; T210-T229 WeakPolarHBondContact CB-OG1 3.39Å; T210-T229 WeakPolarHBondContact O-CA 2.97Å; T210-D405 HydrophobicContact CG2-CB 4.24Å; T210-V406 WeakPolarHBondContact O-CG2 3.07Å
211G84.5Confident90.2Very high0 Ų020.6 Ų20.60%011%0.107CC..EExtended strand (participates in β ladder)trans141.7169.9-177.300000112.6L208 S228L208-G211 VanDerWaalsContact CB-O 3.28Å; L208-G211 WeakPolarHBondContact CB-O 3.41Å; L208-G211 PolarHBondContact N-O 3.15Å; L208-G211 PolarHBondContact O-N 2.73Å; G211-S228 CarbonylContact C-O 3.6Å; G211-S228 VanDerWaalsContact CA-O 3.24Å; G211-S228 WeakPolarHBondContact CA-O 3.42Å
212P88.8Confident90.4Very high9 Ų922.2 Ų22.26%0.05811%0.111CC..EExtended strand (participates in β ladder)trans-76.6149.2-176.830-36.7000113.5R206 F207 S228 L342R206-P212 CarbonylContact O-C 3.53Å; R206-P212 VanDerWaalsContact O-CA 3.3Å; R206-P212 WeakPolarHBondContact O-CA 3.41Å; F207-P212 HydrophobicContact CD1-CB 3.88Å; F207-P212 HydrophobicContact CE1-CB 4.06Å; P212-S228 PolarHBondContact O-N 3.49Å; P212-L342 HydrophobicContact CG-CD1 3.83Å
213I92.7Very high90.6Very high1 Ų121.6 Ų21.61%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-112123.5165.3-56.9-176.3000108Q205 R206 L208 L225 W227 L249 C252 L253Q205-I213 CarbonylContact C-O 3.42Å; Q205-I213 WeakPolarHBondContact CA-O 3.43Å; R206-I213 PolarHBondContact N-O 2.83Å; R206-I213 PolarHBondContact O-N 2.81Å; L208-I213 HydrophobicContact CD1-CD1 3.52Å; L208-I213 HydrophobicContact CD1-CG1 3.91Å; L208-I213 HydrophobicContact CG-CD1 4.43Å; L208-I213 HydrophobicContact CG-CG1 4.48Å; I213-L225 HydrophobicContact CG2-CD1 3.8Å; I213-W227 HydrophobicContact CD1-CD2 3.87Å; I213-W227 HydrophobicContact CD1-CE3 4.45Å; I213-W227 HydrophobicContact CD1-CG 4.16Å; I213-W227 HydrophobicContact CD1-CH2 4.43Å; I213-W227 HydrophobicContact CD1-CZ2 3.86Å; I213-W227 HydrophobicContact CG1-CD2 4.12Å; I213-W227 HydrophobicContact CG1-CG 3.86Å; I213-L249 HydrophobicContact CD1-CD1 4.2Å; I213-L249 HydrophobicContact CG2-CD1 4.04Å; I213-C252 HydrophobicContact CD1-CB 3.85Å; I213-L253 HydrophobicContact CG2-CD2 4.13Å
214A92.8Very high90.8Very high13 Ų1321.6 Ų21.611%0.10711%0.108CC..EExtended strand (participates in β ladder)trans-116.3137.7173.700000111.2W204 Q205 L225 V226W204-A214 CarbonylContact O-C 3.51Å; W204-A214 VanDerWaalsContact O-CA 3.31Å; W204-A214 WeakPolarHBondContact O-CA 3.43Å; Q205-A214 HydrophobicContact CG-CB 4.26Å; A214-L225 WeakPolarHBondContact O-CA 3.25Å; A214-V226 HydrophobicContact CB-CB 4.36Å; A214-V226 PolarHBondContact N-O 3.03Å; A214-V226 PolarHBondContact O-N 3.21Å
215L95.2Very high91Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-121.4113.7172.1-59.9175.2000108.4L192 A203 W204 T223 S224 L225 L253 P300L192-L215 HydrophobicContact CD1-CD2 3.89Å; A203-L215 CarbonylContact C-O 3.59Å; A203-L215 WeakPolarHBondContact CA-O 3.31Å; W204-L215 HydrophobicContact CB-CB 4.22Å; W204-L215 HydrophobicContact CE3-CB 4.04Å; W204-L215 PolarHBondContact N-O 3.06Å; W204-L215 PolarHBondContact O-N 2.74Å; L215-T223 HydrophobicContact CB-CG2 4.35Å; L215-T223 HydrophobicContact CD2-CG2 4.06Å; L215-S224 CarbonylContact C-O 3.58Å; L215-S224 VanDerWaalsContact CA-O 3.32Å; L215-S224 WeakPolarHBondContact CA-O 3.48Å; L215-L225 HydrophobicContact CD2-CB 4.25Å; L215-L225 HydrophobicContact CD2-CD1 3.54Å; L215-L253 HydrophobicContact CD1-CD1 3.93Å; L215-L253 HydrophobicContact CD1-CD2 4.2Å; L215-P300 HydrophobicContact CD1-CB 4.1Å; L215-P300 HydrophobicContact CD1-CG 3.52Å
216L94.2Very high91.2Very high26 Ų2621.6 Ų21.614%0.13611%0.11CC..EExtended strand (participates in β ladder)trans-108.2123.8-177.6-54.4178.9000110.1I94 A203 L218 T223 S224I94-L216 HydrophobicContact CD1-CB 4.02Å; I94-L216 HydrophobicContact CD1-CD1 4.15Å; I94-L216 HydrophobicContact CG1-CB 4.15Å; A203-L216 HydrophobicContact CB-CD2 4.02Å; L216-L218 PolarHBondContact O-N 2.7Å; L216-T223 VanDerWaalsContact C-OG1 3.26Å; L216-T223 PolarHBondContact N-OG1 2.76Å; L216-T223 VanDerWaalsContact N-OG1 3.17Å; L216-T223 CarbonylContact O-C 3.58Å; L216-T223 WeakPolarHBondContact O-CA 3.33Å; L216-T223 PolarHBondContact O-OG1 2.95Å; L216-S224 PolarHBondContact N-O 2.75Å; L216-S224 PolarHBondContact O-N 3.33Å
217P95Very high91.5Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-65.3135.5-174.127.5-34.8000111.5Q68 V70 I94Q68-P217 HydrophobicContact CG-CB 4.11Å; Q68-P217 HydrophobicContact CG-CG 4.42Å; Q68-P217 VanDerWaalsContact CG-O 3.22Å; Q68-P217 WeakPolarHBondContact CG-O 3.41Å; V70-P217 HydrophobicContact CG2-CG 3.91Å; I94-P217 WeakPolarHBondContact CB-O 3.29Å; I94-P217 WeakPolarHBondContact CG1-O 3.4Å
218L94.6Very high91.9Very high6 Ų621.5 Ų21.53%0.03111%0.111CC..SBendtrans-109.7-31.6171.9-63.6171.2000111.6Y38 V42 Q68 I94 T191 L216 Y222Y38-L218 HydrophobicContact CD1-CB 3.99Å; Y38-L218 HydrophobicContact CD1-CD1 4.29Å; Y38-L218 HydrophobicContact CD1-CD2 4.34Å; Y38-L218 HydrophobicContact CD1-CG 4.45Å; Y38-L218 HydrophobicContact CD2-CB 4.26Å; Y38-L218 HydrophobicContact CD2-CD1 4.38Å; Y38-L218 HydrophobicContact CE1-CB 3.98Å; Y38-L218 HydrophobicContact CE2-CB 4.28Å; Y38-L218 HydrophobicContact CG-CB 4.15Å; Y38-L218 HydrophobicContact CG-CD1 3.94Å; Y38-L218 PolarHBondContact OH-O 2.87Å; V42-L218 HydrophobicContact CB-CD2 4.31Å; V42-L218 HydrophobicContact CG1-CD2 3.63Å; V42-L218 HydrophobicContact CG2-CD2 4.3Å; Q68-L218 WeakPolarHBondContact CB-O 3.25Å; I94-L218 HydrophobicContact CG2-CD2 3.55Å; T191-L218 HydrophobicContact CG2-CD1 3.69Å; L216-L218 PolarHBondContact O-N 2.7Å; L218-Y222 WeakPolarHBondContact CB-O 3.49Å; L218-Y222 PolarHBondContact N-O 2.89Å
219S94.4Very high92.4Very high24 Ų2421 Ų2117%0.16811%0.108CC..SBendtrans-154.9-169.8169.176.80000108.9E221 Y222S219-E221 PolarHBondContact O-N 3.13Å; S219-E221 PolarHBondContact OG-N 3.1Å; S219-E221 VanDerWaalsContact OG-N 3.08Å; S219-Y222 PolarHBondContact N-O 3.05Å; S219-Y222 PolarHBondContact OG-N 3.43Å
220K93.7Very high93Very high122 Ų12220.6 Ų20.653%0.5311%0.105SC..SBendtrans-60.2-34.1169.3-65.8-176.9173.5-157.50112.4A197 N198 N199A197-K220 CarbonylContact C-O 3.35Å; A197-K220 VanDerWaalsContact CA-O 3.27Å; A197-K220 WeakPolarHBondContact CA-O 3.5Å; A197-K220 HydrophobicContact CB-CB 4.33Å; N198-K220 PolarHBondContact N-O 3.21Å; N199-K220 VanDerWaalsContact OD1-CD 3.31Å; N199-K220 WeakPolarHBondContact OD1-CD 3.04Å; N199-K220 VanDerWaalsContact OD1-CE 3.29Å; N199-K220 WeakPolarHBondContact OD1-CE 3.44Å; N199-K220 PolarHBondContact OD1-NZ 3.02Å
221E95.2Very high93.4Very high99 Ų9920 Ų2046%0.46310%0.102SC..SBendtrans-103.6-23.2-173.4-62.7-174.4179.200113.4K193 L194 S219K193-E221 CarbonylContact C-O 3.47Å; K193-E221 WeakPolarHBondContact CA-O 3.25Å; L194-E221 PolarHBondContact N-O 2.7Å; S219-E221 PolarHBondContact O-N 3.13Å; S219-E221 PolarHBondContact OG-N 3.1Å; S219-E221 VanDerWaalsContact OG-N 3.08Å
222Y96Very high93.8Very high46 Ų4628.7 Ų28.718%0.1814%0.137CC..EExtended strand (participates in β ladder)trans-115.7143.7-173.9-69-79.7000112.5Y38 T191 L192 K193 L218 S219 Q306Y38-Y222 HydrophobicContact CD2-CD2 4.35Å; Y38-Y222 HydrophobicContact CD2-CG 4.23Å; Y38-Y222 HydrophobicContact CE2-CD2 4.06Å; Y38-Y222 HydrophobicContact CE2-CG 4.29Å; T191-Y222 HydrophobicContact CG2-CD1 4.1Å; L192-Y222 CarbonylContact O-C 3.58Å; L192-Y222 VanDerWaalsContact O-CA 3.28Å; L192-Y222 WeakPolarHBondContact O-CA 3.06Å; L192-Y222 WeakPolarHBondContact O-CD1 2.97Å; K193-Y222 HydrophobicContact CB-CD1 4.2Å; K193-Y222 HydrophobicContact CB-CE1 3.86Å; K193-Y222 HydrophobicContact CD-CE1 4.49Å; K193-Y222 HydrophobicContact CG-CE1 4.19Å; L218-Y222 WeakPolarHBondContact CB-O 3.49Å; L218-Y222 PolarHBondContact N-O 2.89Å; S219-Y222 PolarHBondContact N-O 3.05Å; S219-Y222 PolarHBondContact OG-N 3.43Å; Y222-Q306 HydrophobicContact CD1-CB 4.24Å; Y222-Q306 HydrophobicContact CD1-CG 4.21Å; Y222-Q306 HydrophobicContact CE1-CB 3.94Å; Y222-Q306 HydrophobicContact CE1-CG 3.7Å
223T95.9Very high94Very high0 Ų030 Ų300%014%0.142CC..EExtended strand (participates in β ladder)trans-134.6145.9175.6-170.20000110.5L192 L194 L215 L216L192-T223 HydrophobicContact CB-CG2 3.86Å; L192-T223 HydrophobicContact CD1-CG2 4.43Å; L192-T223 PolarHBondContact N-O 3.43Å; L192-T223 PolarHBondContact O-N 2.77Å; L194-T223 HydrophobicContact CD2-CG2 3.83Å; L194-T223 HydrophobicContact CG-CG2 4.13Å; L215-T223 HydrophobicContact CB-CG2 4.35Å; L215-T223 HydrophobicContact CD2-CG2 4.06Å; L216-T223 VanDerWaalsContact C-OG1 3.26Å; L216-T223 PolarHBondContact N-OG1 2.76Å; L216-T223 VanDerWaalsContact N-OG1 3.17Å; L216-T223 CarbonylContact O-C 3.58Å; L216-T223 WeakPolarHBondContact O-CA 3.33Å; L216-T223 PolarHBondContact O-OG1 2.95Å
224S95.5Very high94.1Very high2 Ų230 Ų301%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-85.6130168.4-177.80000109.5V42 L215 L216V42-S224 WeakPolarHBondContact CG2-OG 3.48Å; L215-S224 CarbonylContact C-O 3.58Å; L215-S224 VanDerWaalsContact CA-O 3.32Å; L215-S224 WeakPolarHBondContact CA-O 3.48Å; L216-S224 PolarHBondContact N-O 2.75Å; L216-S224 PolarHBondContact O-N 3.33Å
225L96.1Very high94.3Very high0 Ų032.6 Ų32.60%015%0.154CC..EExtended strand (participates in β ladder)trans-92.4136.8173.7176.870.1000110.2V189 A190 L192 I213 A214 L215 W227 F245 L249V189-L225 VanDerWaalsContact CA-O 3.25Å; V189-L225 WeakPolarHBondContact CA-O 3.4Å; A190-L225 HydrophobicContact CB-CB 4.32Å; A190-L225 HydrophobicContact CB-CD2 4.24Å; A190-L225 PolarHBondContact N-O 2.74Å; A190-L225 WeakPolarHBondContact O-CB 3.47Å; A190-L225 PolarHBondContact O-N 3.08Å; L192-L225 HydrophobicContact CD1-CB 3.68Å; L192-L225 HydrophobicContact CD1-CD1 4.19Å; L192-L225 HydrophobicContact CD1-CD2 4.13Å; L192-L225 HydrophobicContact CD1-CG 4.2Å; L192-L225 HydrophobicContact CG-CB 4.02Å; I213-L225 HydrophobicContact CG2-CD1 3.8Å; A214-L225 WeakPolarHBondContact O-CA 3.25Å; L215-L225 HydrophobicContact CD2-CB 4.25Å; L215-L225 HydrophobicContact CD2-CD1 3.54Å; L225-W227 HydrophobicContact CD1-CB 4.16Å; L225-W227 HydrophobicContact CD2-CB 4.28Å; L225-W227 HydrophobicContact CG-CB 4.23Å; L225-F245 HydrophobicContact CD2-CE1 4.03Å; L225-F245 HydrophobicContact CD2-CZ 3.7Å; L225-L249 HydrophobicContact CD1-CD1 3.99Å; L225-L249 HydrophobicContact CD1-CD2 4.28Å; L225-L249 HydrophobicContact CD2-CD2 4.31Å
226V94.3Very high94.4Very high24 Ų2436.3 Ų36.315%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-128.9100.6158.9-1740000108A187 I188 V189 A214A187-V226 HydrophobicContact CB-CG1 4.16Å; I188-V226 CarbonylContact O-C 3.55Å; I188-V226 WeakPolarHBondContact O-CA 3.3Å; V189-V226 HydrophobicContact CG1-CG1 4.49Å; V189-V226 HydrophobicContact CG1-CG2 4.15Å; A214-V226 HydrophobicContact CB-CB 4.36Å; A214-V226 PolarHBondContact N-O 3.03Å; A214-V226 PolarHBondContact O-N 3.21Å
227W94.9Very high94.6Very high2 Ų235.1 Ų35.11%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-102.9101.7177-172.3-13000109.8A187 I188 I213 L225 L237 F245 E248 L249 C252A187-W227 CarbonylContact C-O 3.6Å; A187-W227 WeakPolarHBondContact CA-O 3.04Å; I188-W227 HydrophobicContact CB-CB 4.31Å; I188-W227 PolarHBondContact N-O 2.92Å; I188-W227 PolarHBondContact O-N 3.28Å; I213-W227 HydrophobicContact CD1-CD2 3.87Å; I213-W227 HydrophobicContact CD1-CE3 4.45Å; I213-W227 HydrophobicContact CD1-CG 4.16Å; I213-W227 HydrophobicContact CD1-CH2 4.43Å; I213-W227 HydrophobicContact CD1-CZ2 3.86Å; I213-W227 HydrophobicContact CG1-CD2 4.12Å; I213-W227 HydrophobicContact CG1-CG 3.86Å; L225-W227 HydrophobicContact CD1-CB 4.16Å; L225-W227 HydrophobicContact CD2-CB 4.28Å; L225-W227 HydrophobicContact CG-CB 4.23Å; W227-L237 HydrophobicContact CD2-CD1 4.09Å; W227-L237 HydrophobicContact CE3-CD1 4.17Å; W227-L237 HydrophobicContact CH2-CD1 3.96Å; W227-L237 HydrophobicContact CH2-CD2 4.12Å; W227-L237 HydrophobicContact CZ2-CD1 3.84Å; W227-L237 HydrophobicContact CZ3-CD1 4.1Å; W227-L237 HydrophobicContact CZ3-CD2 4.33Å; W227-F245 AromaticContact CE3-CE2 3.97Å; W227-F245 HydrophobicContact CE3-CE2 3.97Å; W227-F245 AromaticContact CE3-CZ 4Å; W227-F245 HydrophobicContact CE3-CZ 4Å; W227-F245 HydrophobicContact CZ3-CE2 4.01Å; W227-F245 HydrophobicContact CZ3-CZ 4.26Å; W227-E248 HydrophobicContact CH2-CG 4.23Å; W227-L249 HydrophobicContact CE3-CD1 3.75Å; W227-L249 HydrophobicContact CH2-CD1 4.47Å; W227-L249 HydrophobicContact CZ3-CB 3.79Å; W227-L249 HydrophobicContact CZ3-CD1 3.73Å; W227-L249 HydrophobicContact CZ3-CG 4.35Å; W227-C252 HydrophobicContact CH2-CB 4.12Å; W227-C252 HydrophobicContact CZ2-CB 4.08Å
228S92.3Very high94.7Very high6 Ų637.6 Ų37.64%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-87.4123.7174.2-58.40000109.8K186 G211 P212K186-S228 WeakPolarHBondContact O-CA 3.31Å; G211-S228 CarbonylContact C-O 3.6Å; G211-S228 VanDerWaalsContact CA-O 3.24Å; G211-S228 WeakPolarHBondContact CA-O 3.42Å; P212-S228 PolarHBondContact O-N 3.49Å
229T92.7Very high94.8Very high0 Ų044 Ų440%021%0.208CC..EExtended strand (participates in β ladder)trans-148.3176179.1-172.50000110.8Q185 K186 T210 E233 A234 L237Q185-T229 CarbonylContact C-O 3.56Å; Q185-T229 WeakPolarHBondContact CA-O 3.38Å; Q185-T229 VanDerWaalsContact CB-O 3.25Å; Q185-T229 WeakPolarHBondContact CB-O 3.43Å; K186-T229 PolarHBondContact N-O 3.23Å; K186-T229 PolarHBondContact O-N 3.48Å; T210-T229 WeakPolarHBondContact CB-OG1 3.39Å; T210-T229 WeakPolarHBondContact O-CA 2.97Å; T229-E233 HydrophobicContact CG2-CB 4.05Å; T229-E233 HydrophobicContact CG2-CG 4.03Å; T229-E233 WeakPolarHBondContact OG1-CB 3.35Å; T229-E233 WeakPolarHBondContact OG1-CG 3.47Å; T229-A234 HydrophobicContact CG2-CB 3.74Å; T229-L237 HydrophobicContact CG2-CD1 4.21Å
230T91.5Very high94.9Very high22 Ų2244.8 Ų44.814%0.13521%0.21CC..EExtended strand (participates in β ladder)trans-55.6148.4173.968.90000111Y232 E233 A234 V406T230-Y232 VanDerWaalsContact C-N 3.25Å; T230-Y232 PolarHBondContact O-N 3.03Å; T230-E233 PolarHBondContact O-N 2.81Å; T230-E233 VanDerWaalsContact O-N 3.14Å; T230-E233 WeakPolarHBondContact OG1-CB 3.4Å; T230-E233 PolarHBondContact OG1-N 3.34Å; T230-A234 WeakPolarHBondContact O-CB 3.32Å; T230-A234 PolarHBondContact O-N 2.95Å; T230-V406 HydrophobicContact CG2-CB 4.4Å; T230-V406 HydrophobicContact CG2-CG2 3.64Å
231S91.7Very high95Very high18 Ų1846.2 Ų46.213%0.12622%0.217CC..Hα-helixtrans-54-42.7178-63.50000112.7N184 A234 D235N184-S231 PolarHBondContact O-N 3.24Å; N184-S231 PolarHBondContact O-OG 3.48Å; N184-S231 VanDerWaalsContact OD1-CB 3.27Å; N184-S231 WeakPolarHBondContact OD1-CB 3.49Å; N184-S231 PolarHBondContact OD1-OG 3.41Å; S231-A234 PolarHBondContact O-N 2.94Å; S231-D235 VanDerWaalsContact O-CG 3.25Å; S231-D235 PolarHBondContact O-N 2.95Å
232Y92.4Very high95.1Very high183 Ų18345.3 Ų45.372%0.71822%0.215SC*.Hα-helixtrans-59.4-48.9178.1173.7-95.6000111.6T230 D235 R236T230-Y232 VanDerWaalsContact C-N 3.25Å; T230-Y232 PolarHBondContact O-N 3.03Å; Y232-D235 PolarHBondContact O-N 3Å; Y232-R236 PolarHBondContact O-N 3.38Å
233E93.7Very high95.1Very high37 Ų3746.8 Ų46.817%0.17323%0.232CC..Hα-helixtrans-68.7-38.4-179-177.767.9159.200111.9T229 T230 D235 R236 L237T229-E233 HydrophobicContact CG2-CB 4.05Å; T229-E233 HydrophobicContact CG2-CG 4.03Å; T229-E233 WeakPolarHBondContact OG1-CB 3.35Å; T229-E233 WeakPolarHBondContact OG1-CG 3.47Å; T230-E233 PolarHBondContact O-N 2.81Å; T230-E233 VanDerWaalsContact O-N 3.14Å; T230-E233 WeakPolarHBondContact OG1-CB 3.4Å; T230-E233 PolarHBondContact OG1-N 3.34Å; E233-D235 VanDerWaalsContact C-N 3.29Å; E233-D235 PolarHBondContact O-N 3.17Å; E233-R236 VanDerWaalsContact CD-NH2 3.25Å; E233-R236 PolarHBondContact O-N 3.36Å; E233-R236 IonicContact OE1-CZ 2.85Å; E233-R236 IonicContact OE1-NE 2.64Å; E233-R236 IonicContact OE1-NH2 3.6Å; E233-R236 PolarHBondContact OE1-NH2 3.5Å; E233-R236 IonicContact OE2-CZ 3.75Å; E233-R236 IonicContact OE2-NE 2.94Å; E233-R236 PolarHBondContact OE2-NE 3.16Å; E233-R236 IonicContact OE2-NH2 3.35Å; E233-R236 PolarHBondContact OE2-NH2 3.04Å; E233-L237 HydrophobicContact CG-CD1 3.98Å; E233-L237 HydrophobicContact CG-CG 4.28Å; E233-L237 WeakPolarHBondContact O-CB 3.49Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.19Å; E233-L237 PolarHBondContact O-N 3.01Å
234A95.1Very high95.2Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-61.3-41.617600000111.4K186 I188 T229 T230 S231 L237 M238K186-A234 HydrophobicContact CB-CB 3.68Å; K186-A234 HydrophobicContact CD-CB 4.1Å; K186-A234 HydrophobicContact CG-CB 4.38Å; I188-A234 HydrophobicContact CD1-CB 4.29Å; I188-A234 HydrophobicContact CG1-CB 4.31Å; T229-A234 HydrophobicContact CG2-CB 3.74Å; T230-A234 WeakPolarHBondContact O-CB 3.32Å; T230-A234 PolarHBondContact O-N 2.95Å; S231-A234 PolarHBondContact O-N 2.94Å; A234-L237 PolarHBondContact O-N 2.84Å; A234-M238 WeakPolarHBondContact O-CB 3.32Å; A234-M238 WeakPolarHBondContact O-CG 3.13Å; A234-M238 PolarHBondContact O-N 3.12Å
235D96.3Very high95.3Very high68 Ų6850 Ų5036%0.36425%0.249SC..Hα-helixtrans-67.2-37.8177-68.1-28.9000111.7K186 S231 Y232 E233 N239K186-D235 IonicContact NZ-OD1 2.7Å; K186-D235 PolarHBondContact NZ-OD1 3.18Å; K186-D235 IonicContact NZ-OD2 3.65Å; K186-D235 PolarHBondContact NZ-OD2 3.47Å; S231-D235 VanDerWaalsContact O-CG 3.25Å; S231-D235 PolarHBondContact O-N 2.95Å; Y232-D235 PolarHBondContact O-N 3Å; E233-D235 VanDerWaalsContact C-N 3.29Å; E233-D235 PolarHBondContact O-N 3.17Å; D235-N239 PolarHBondContact O-N 2.87Å; D235-N239 PolarHBondContact O-ND2 3.49Å
236R97.4Very high95.4Very high78 Ų7850.5 Ų50.529%0.29425%0.251SS..Hα-helixtrans-61.8-52.9172.3-172.2-17368.685.20.9111.3Y232 E233 M238 N239 L240 E248Y232-R236 PolarHBondContact O-N 3.38Å; E233-R236 VanDerWaalsContact CD-NH2 3.25Å; E233-R236 PolarHBondContact O-N 3.36Å; E233-R236 IonicContact OE1-CZ 2.85Å; E233-R236 IonicContact OE1-NE 2.64Å; E233-R236 IonicContact OE1-NH2 3.6Å; E233-R236 PolarHBondContact OE1-NH2 3.5Å; E233-R236 IonicContact OE2-CZ 3.75Å; E233-R236 IonicContact OE2-NE 2.94Å; E233-R236 PolarHBondContact OE2-NE 3.16Å; E233-R236 IonicContact OE2-NH2 3.35Å; E233-R236 PolarHBondContact OE2-NH2 3.04Å; R236-M238 VanDerWaalsContact C-N 3.3Å; R236-M238 PolarHBondContact O-N 3.1Å; R236-N239 PolarHBondContact O-N 3.37Å; R236-L240 PolarHBondContact O-N 2.81Å; R236-E248 IonicContact CZ-OE1 3.12Å; R236-E248 IonicContact CZ-OE2 3.69Å; R236-E248 IonicContact NH1-OE1 3.76Å; R236-E248 IonicContact NH1-OE2 2.72Å; R236-E248 PolarHBondContact NH1-OE2 3.11Å; R236-E248 IonicContact NH2-OE1 2.68Å; R236-E248 PolarHBondContact NH2-OE1 2.78Å; R236-E248 IonicContact NH2-OE2 3.26Å; R236-E248 PolarHBondContact NH2-OE2 3.26Å
237L97.5Very high95.5Very high0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-59.5-40.3-178.8-72.5172.3000111.8I188 W227 T229 E233 A234 N239 L240 F245 E248 R311I188-L237 HydrophobicContact CD1-CB 3.58Å; I188-L237 HydrophobicContact CD1-CD1 3.85Å; I188-L237 HydrophobicContact CD1-CG 4.39Å; W227-L237 HydrophobicContact CD2-CD1 4.09Å; W227-L237 HydrophobicContact CE3-CD1 4.17Å; W227-L237 HydrophobicContact CH2-CD1 3.96Å; W227-L237 HydrophobicContact CH2-CD2 4.12Å; W227-L237 HydrophobicContact CZ2-CD1 3.84Å; W227-L237 HydrophobicContact CZ3-CD1 4.1Å; W227-L237 HydrophobicContact CZ3-CD2 4.33Å; T229-L237 HydrophobicContact CG2-CD1 4.21Å; E233-L237 HydrophobicContact CG-CD1 3.98Å; E233-L237 HydrophobicContact CG-CG 4.28Å; E233-L237 WeakPolarHBondContact O-CB 3.49Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.19Å; E233-L237 PolarHBondContact O-N 3.01Å; A234-L237 PolarHBondContact O-N 2.84Å; L237-N239 PolarHBondContact O-N 3.48Å; L237-L240 HydrophobicContact CD2-CD1 3.92Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 2.82Å; L237-F245 HydrophobicContact CB-CD2 4.18Å; L237-F245 HydrophobicContact CB-CE2 4.18Å; L237-F245 HydrophobicContact CD2-CD2 4.26Å; L237-E248 HydrophobicContact CD2-CG 4.1Å; L237-R311 PolarHBondContact O-NH1 3.01Å
238M96.9Very high95.5Very high52 Ų5257.3 Ų57.326%0.25628%0.282SS..Hα-helixtrans-64.1-25176.7-76.2-63.6-61.300113.5I188 A234 R236 R311 C313I188-M238 HydrophobicContact CD1-CG 4.23Å; I188-M238 HydrophobicContact CD1-SD 4.47Å; I188-M238 HydrophobicContact CG1-CG 4.22Å; I188-M238 HydrophobicContact CG1-SD 4.2Å; I188-M238 HydrophobicContact CG2-SD 3.96Å; A234-M238 WeakPolarHBondContact O-CB 3.32Å; A234-M238 WeakPolarHBondContact O-CG 3.13Å; A234-M238 PolarHBondContact O-N 3.12Å; R236-M238 VanDerWaalsContact C-N 3.3Å; R236-M238 PolarHBondContact O-N 3.1Å; M238-R311 HydrophobicContact CE-CB 4.07Å; M238-R311 HydrophobicContact SD-CB 3.85Å; M238-C313 HydrophobicContact CE-CB 4.17Å; M238-C313 HydrophobicContact CG-CB 3.83Å; M238-C313 HydrophobicContact SD-CB 3.83Å
239N96.9Very high95.7Very high142 Ų14257 Ų5776%0.75928%0.28SS*.Hα-helixtrans-89.8-9.2178.4-72.1-38.1000114D235 R236 L237D235-N239 PolarHBondContact O-N 2.87Å; D235-N239 PolarHBondContact O-ND2 3.49Å; R236-N239 PolarHBondContact O-N 3.37Å; L237-N239 PolarHBondContact O-N 3.48Å
240L96.9Very high95.9Very high40 Ų4058.6 Ų58.621%0.20929%0.288CS..SBendtrans-68.4156.8175.4-66.3179.7000111.6R236 L237 D244 F245 E248 R311R236-L240 PolarHBondContact O-N 2.81Å; L237-L240 HydrophobicContact CD2-CD1 3.92Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 2.82Å; L240-D244 HydrophobicContact CB-CB 4.38Å; L240-F245 HydrophobicContact CB-CB 4.3Å; L240-E248 WeakPolarHBondContact CD1-OE2 3.37Å; L240-R311 PolarHBondContact O-NH2 3.41Å
241K96.6Very high95.9Very high152 Ų15259.9 Ų59.966%0.66129%0.294SS*.  trans-66.8155.2163.9-64176.1-177.8172.10109.6S243 D244 F245K241-S243 VanDerWaalsContact C-N 3.28Å; K241-S243 PolarHBondContact O-N 2.82Å; K241-D244 PolarHBondContact O-N 2.84Å; K241-D244 VanDerWaalsContact O-N 3.16Å; K241-F245 WeakPolarHBondContact O-CB 3.32Å; K241-F245 PolarHBondContact O-N 3.48Å
242D96.7Very high95.9Very high80 Ų8060.5 Ų60.543%0.42830%0.298SS..Hα-helixtrans-60.5-36.9-177-69.5-11.8000112.3I246 I305 R311D242-I246 VanDerWaalsContact O-CG1 3.28Å; D242-I246 WeakPolarHBondContact O-CG1 3.24Å; D242-I246 PolarHBondContact O-N 2.82Å; D242-I305 HydrophobicContact CB-CD1 3.96Å; D242-I305 HydrophobicContact CB-CG1 4.4Å; D242-R311 IonicContact OD1-CZ 2.77Å; D242-R311 VanDerWaalsContact OD1-CZ 3.26Å; D242-R311 IonicContact OD1-NE 2.69Å; D242-R311 PolarHBondContact OD1-NE 2.78Å; D242-R311 VanDerWaalsContact OD1-NE 3.12Å; D242-R311 IonicContact OD1-NH2 2.99Å; D242-R311 PolarHBondContact OD1-NH2 2.82Å
243S95.9Very high95.7Very high77 Ų7751.8 Ų51.854%0.53826%0.264SS..Hα-helixtrans-59.9-47.8174.753.50000112.6K241 F245 I246 Q247K241-S243 VanDerWaalsContact C-N 3.28Å; K241-S243 PolarHBondContact O-N 2.82Å; S243-F245 VanDerWaalsContact C-N 3.34Å; S243-I246 PolarHBondContact O-N 3.12Å; S243-Q247 PolarHBondContact O-N 3.29Å
244D97.5Very high95.2Very high68 Ų6853.6 Ų53.636%0.36428%0.277SS..Hα-helixtrans-70.4-37.5-175.1-51.3-19000109.9L240 K241 Q247 E248L240-D244 HydrophobicContact CB-CB 4.38Å; K241-D244 PolarHBondContact O-N 2.84Å; K241-D244 VanDerWaalsContact O-N 3.16Å; D244-Q247 PolarHBondContact O-N 3.46Å; D244-E248 WeakPolarHBondContact O-CB 3.45Å; D244-E248 PolarHBondContact O-N 3.47Å
245F97.8Very high94.3Very high0 Ų058.9 Ų58.90%030%0.301CS..Hα-helixtrans-61.6-43.1172.7175.5-95.9000112.5I188 L225 W227 L237 L240 K241 S243 E248 L249 I305 R311I188-F245 HydrophobicContact CD1-CE2 4.3Å; I188-F245 HydrophobicContact CG2-CE2 4.35Å; I188-F245 HydrophobicContact CG2-CZ 4.16Å; L225-F245 HydrophobicContact CD2-CE1 4.03Å; L225-F245 HydrophobicContact CD2-CZ 3.7Å; W227-F245 AromaticContact CE3-CE2 3.97Å; W227-F245 HydrophobicContact CE3-CE2 3.97Å; W227-F245 AromaticContact CE3-CZ 4Å; W227-F245 HydrophobicContact CE3-CZ 4Å; W227-F245 HydrophobicContact CZ3-CE2 4.01Å; W227-F245 HydrophobicContact CZ3-CZ 4.26Å; L237-F245 HydrophobicContact CB-CD2 4.18Å; L237-F245 HydrophobicContact CB-CE2 4.18Å; L237-F245 HydrophobicContact CD2-CD2 4.26Å; L240-F245 HydrophobicContact CB-CB 4.3Å; K241-F245 WeakPolarHBondContact O-CB 3.32Å; K241-F245 PolarHBondContact O-N 3.48Å; S243-F245 VanDerWaalsContact C-N 3.34Å; F245-E248 PolarHBondContact O-N 3.12Å; F245-L249 WeakPolarHBondContact O-CB 3.49Å; F245-L249 PolarHBondContact O-N 3.44Å; F245-I305 HydrophobicContact CD1-CD1 4.04Å; F245-I305 HydrophobicContact CE1-CD1 4.41Å; F245-R311 VanDerWaalsContact CD2-NH1 3.3Å; F245-R311 VanDerWaalsContact CG-NH1 3.31Å
246I97.6Very high92.9Very high11 Ų1160.9 Ų60.96%0.05632%0.317CS..Hα-helixtrans-67.8-41.9177.7-69.6-55.5000111.4L192 D242 S243 E248 L249 N250 V302 I305L192-I246 HydrophobicContact CD2-CD1 3.88Å; D242-I246 VanDerWaalsContact O-CG1 3.28Å; D242-I246 WeakPolarHBondContact O-CG1 3.24Å; D242-I246 PolarHBondContact O-N 2.82Å; S243-I246 PolarHBondContact O-N 3.12Å; I246-E248 VanDerWaalsContact C-N 3.3Å; I246-E248 PolarHBondContact O-N 3.19Å; I246-L249 HydrophobicContact CD1-CD2 4.43Å; I246-L249 PolarHBondContact O-N 3.03Å; I246-N250 PolarHBondContact O-N 2.96Å; I246-N250 PolarHBondContact O-ND2 3Å; I246-V302 HydrophobicContact CD1-CG1 3.59Å; I246-V302 HydrophobicContact CG2-CB 4.4Å; I246-V302 HydrophobicContact CG2-CG1 4.22Å; I246-V302 VanDerWaalsContact CG2-O 3.25Å; I246-V302 WeakPolarHBondContact CG2-O 3.27Å; I246-I305 HydrophobicContact CD1-CG1 3.88Å; I246-I305 HydrophobicContact CG1-CG1 4.19Å
247Q96.6Very high90.8Very high122 Ų12259.7 Ų59.757%0.5732%0.321SS*.Hα-helixtrans-57.9-47.3175-177.9176.3-4.300110.7S243 D244 N250 D251S243-Q247 PolarHBondContact O-N 3.29Å; D244-Q247 PolarHBondContact O-N 3.46Å; Q247-N250 PolarHBondContact O-N 3.2Å; Q247-D251 WeakPolarHBondContact O-CB 3.47Å; Q247-D251 PolarHBondContact O-N 3.36Å
248E96.2Very high88.5Confident48 Ų4869.2 Ų69.222%0.22437%0.365CS..Hα-helixtrans-67.1-37178.7-176.3149.7-156.400112.8W227 R236 L237 L240 D244 F245 I246 D251 C252W227-E248 HydrophobicContact CH2-CG 4.23Å; R236-E248 IonicContact CZ-OE1 3.12Å; R236-E248 IonicContact CZ-OE2 3.69Å; R236-E248 IonicContact NH1-OE1 3.76Å; R236-E248 IonicContact NH1-OE2 2.72Å; R236-E248 PolarHBondContact NH1-OE2 3.11Å; R236-E248 IonicContact NH2-OE1 2.68Å; R236-E248 PolarHBondContact NH2-OE1 2.78Å; R236-E248 IonicContact NH2-OE2 3.26Å; R236-E248 PolarHBondContact NH2-OE2 3.26Å; L237-E248 HydrophobicContact CD2-CG 4.1Å; L240-E248 WeakPolarHBondContact CD1-OE2 3.37Å; D244-E248 WeakPolarHBondContact O-CB 3.45Å; D244-E248 PolarHBondContact O-N 3.47Å; F245-E248 PolarHBondContact O-N 3.12Å; I246-E248 VanDerWaalsContact C-N 3.3Å; I246-E248 PolarHBondContact O-N 3.19Å; E248-D251 WeakPolarHBondContact O-CB 3.5Å; E248-D251 PolarHBondContact O-N 3.29Å; E248-C252 WeakPolarHBondContact O-CB 3.42Å; E248-C252 PolarHBondContact O-N 2.99Å; E248-C252 PolarHBondContact O-SG 2.69Å; E248-C252 VanDerWaalsContact O-SG 3.39Å
249L96.6Very high86.1Confident0 Ų070.3 Ų70.30%038%0.378CS..Hα-helixtrans-60.1-49.4172.3176.460.9000111.4L192 I213 L225 W227 F245 I246 D251 C252 L253 V302L192-L249 HydrophobicContact CD1-CD2 3.39Å; I213-L249 HydrophobicContact CD1-CD1 4.2Å; I213-L249 HydrophobicContact CG2-CD1 4.04Å; L225-L249 HydrophobicContact CD1-CD1 3.99Å; L225-L249 HydrophobicContact CD1-CD2 4.28Å; L225-L249 HydrophobicContact CD2-CD2 4.31Å; W227-L249 HydrophobicContact CE3-CD1 3.75Å; W227-L249 HydrophobicContact CH2-CD1 4.47Å; W227-L249 HydrophobicContact CZ3-CB 3.79Å; W227-L249 HydrophobicContact CZ3-CD1 3.73Å; W227-L249 HydrophobicContact CZ3-CG 4.35Å; F245-L249 WeakPolarHBondContact O-CB 3.49Å; F245-L249 PolarHBondContact O-N 3.44Å; I246-L249 HydrophobicContact CD1-CD2 4.43Å; I246-L249 PolarHBondContact O-N 3.03Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 3.35Å; L249-C252 CarbonylContact O-C 3.47Å; L249-C252 PolarHBondContact O-N 3.43Å; L249-L253 HydrophobicContact CD1-CD1 4.07Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.18Å; L249-L253 PolarHBondContact O-N 2.7Å; L249-V302 HydrophobicContact CD2-CB 4.45Å; L249-V302 HydrophobicContact CD2-CG2 4.08Å
250N95.7Very high83.5Confident32 Ų3268.7 Ų68.717%0.17137%0.367CS..Hα-helixtrans-62.8-40.5179-75.3-27.3000111.7I246 Q247 C252 L253 T254 V302I246-N250 PolarHBondContact O-N 2.96Å; I246-N250 PolarHBondContact O-ND2 3Å; Q247-N250 PolarHBondContact O-N 3.2Å; N250-C252 VanDerWaalsContact C-N 3.35Å; N250-C252 PolarHBondContact O-N 3.39Å; N250-L253 PolarHBondContact O-N 2.79Å; N250-T254 WeakPolarHBondContact O-CB 3.44Å; N250-T254 WeakPolarHBondContact O-CG2 3.28Å; N250-T254 PolarHBondContact O-N 2.81Å; N250-T254 PolarHBondContact O-OG1 3.23Å; N250-V302 PolarHBondContact ND2-O 2.79Å; N250-V302 WeakPolarHBondContact OD1-CB 3.46Å; N250-V302 PolarHBondContact OD1-N 2.96Å
251D92.4Very high80.8Confident50 Ų5072.7 Ų72.727%0.26740%0.399SS..Hα-helixtrans-58.5-47172.5-81.6-9.5000111.1Q247 E248 L249 L253 T254 K255Q247-D251 WeakPolarHBondContact O-CB 3.47Å; Q247-D251 PolarHBondContact O-N 3.36Å; E248-D251 WeakPolarHBondContact O-CB 3.5Å; E248-D251 PolarHBondContact O-N 3.29Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 3.35Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 PolarHBondContact O-N 2.93Å; D251-T254 PolarHBondContact O-N 2.89Å; D251-T254 PolarHBondContact O-OG1 2.88Å; D251-K255 HydrophobicContact CB-CD 3.95Å; D251-K255 HydrophobicContact CB-CG 4.44Å; D251-K255 VanDerWaalsContact O-CB 3.24Å; D251-K255 WeakPolarHBondContact O-CB 3.02Å; D251-K255 VanDerWaalsContact O-CG 3.26Å; D251-K255 WeakPolarHBondContact O-CG 3.05Å; D251-K255 PolarHBondContact O-N 3.22Å; D251-K255 WeakPolarHBondContact OD1-CE 3.24Å; D251-K255 IonicContact OD1-NZ 3.22Å; D251-K255 WeakPolarHBondContact OD2-CE 3.46Å; D251-K255 IonicContact OD2-NZ 2.7Å; D251-K255 PolarHBondContact OD2-NZ 3.36Å
252C90.1Very high78.3Confident30 Ų3073.6 Ų73.620%0.20341%0.405CS..Hα-helixtrans-66.4-27.3176.5-76.80000113.4R206 L208 I213 W227 E248 L249 N250R206-C252 VanDerWaalsContact CD-O 3.26Å; R206-C252 WeakPolarHBondContact CD-O 3.49Å; R206-C252 PolarHBondContact NE-O 2.86Å; R206-C252 VanDerWaalsContact NE-O 3.15Å; R206-C252 PolarHBondContact NH1-O 2.77Å; L208-C252 HydrophobicContact CD1-CB 4.12Å; I213-C252 HydrophobicContact CD1-CB 3.85Å; W227-C252 HydrophobicContact CH2-CB 4.12Å; W227-C252 HydrophobicContact CZ2-CB 4.08Å; E248-C252 WeakPolarHBondContact O-CB 3.42Å; E248-C252 PolarHBondContact O-N 2.99Å; E248-C252 PolarHBondContact O-SG 2.69Å; E248-C252 VanDerWaalsContact O-SG 3.39Å; L249-C252 CarbonylContact O-C 3.47Å; L249-C252 PolarHBondContact O-N 3.43Å; N250-C252 VanDerWaalsContact C-N 3.35Å; N250-C252 PolarHBondContact O-N 3.39Å
253L89.8Confident75.8Confident1 Ų171.5 Ų71.51%0.00539%0.394CS..Hα-helixtrans-79.2-24.9176.4-71.9169.4000112.9W76 R206 I213 L215 L249 N250 D251 T299 V302W76-L253 HydrophobicContact CH2-CD2 4.38Å; W76-L253 HydrophobicContact CZ2-CD2 4.23Å; R206-L253 PolarHBondContact NH1-O 3.4Å; I213-L253 HydrophobicContact CG2-CD2 4.13Å; L215-L253 HydrophobicContact CD1-CD1 3.93Å; L215-L253 HydrophobicContact CD1-CD2 4.2Å; L249-L253 HydrophobicContact CD1-CD1 4.07Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.18Å; L249-L253 PolarHBondContact O-N 2.7Å; N250-L253 PolarHBondContact O-N 2.79Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 PolarHBondContact O-N 2.93Å; L253-T299 WeakPolarHBondContact O-CG2 3.23Å; L253-V302 HydrophobicContact CD1-CG2 4.42Å
254T83.3Confident73.3Confident74 Ų7469.8 Ų69.845%0.45439%0.388SS..Hα-helixtrans-112.1-38.9-172.255.70000115N250 D251N250-T254 WeakPolarHBondContact O-CB 3.44Å; N250-T254 WeakPolarHBondContact O-CG2 3.28Å; N250-T254 PolarHBondContact O-N 2.81Å; N250-T254 PolarHBondContact O-OG1 3.23Å; D251-T254 PolarHBondContact O-N 2.89Å; D251-T254 PolarHBondContact O-OG1 2.88Å
255K74.6Confident70.9Confident112 Ų11271 Ų7149%0.48740%0.398SS..PPolyproline II helixtrans-62127.9-169.8-74.7176.7-177.2167.60112.2R206 D251R206-K255 PolarHBondContact NH1-O 3.1Å; R206-K255 PolarHBondContact NH2-O 2.88Å; D251-K255 HydrophobicContact CB-CD 3.95Å; D251-K255 HydrophobicContact CB-CG 4.44Å; D251-K255 VanDerWaalsContact O-CB 3.24Å; D251-K255 WeakPolarHBondContact O-CB 3.02Å; D251-K255 VanDerWaalsContact O-CG 3.26Å; D251-K255 WeakPolarHBondContact O-CG 3.05Å; D251-K255 PolarHBondContact O-N 3.22Å; D251-K255 WeakPolarHBondContact OD1-CE 3.24Å; D251-K255 IonicContact OD1-NZ 3.22Å; D251-K255 WeakPolarHBondContact OD2-CE 3.46Å; D251-K255 IonicContact OD2-NZ 2.7Å; D251-K255 PolarHBondContact OD2-NZ 3.36Å
256P67Low68.8Low109 Ų10972.5 Ų72.571%0.70841%0.407SS*.PPolyproline II helixtrans-69141.2162.828.6-30.4000109
257S54Low66.8Low54 Ų5472.1 Ų72.138%0.37841%0.405SS..PPolyproline II helixtrans-90.5130.6173.3177.30000110.4T78 S259T78-S257 PolarHBondContact O-N 3.21Å; S257-S259 VanDerWaalsContact C-N 3.26Å; S257-S259 PolarHBondContact O-N 3.15Å
258E49.2Very low65Low200 Ų20068.8 Ų68.894%0.93540%0.395SS*.  trans-78.32-174.2-67-169159.300114.7
259S46Very low63.2Low74 Ų7470.5 Ų70.552%0.51741%0.406SS..  trans-130.7130-169.7-176.80000113.9K79 S257K79-S259 VanDerWaalsContact CE-O 3.23Å; K79-S259 WeakPolarHBondContact CE-O 3.31Å; S257-S259 VanDerWaalsContact C-N 3.26Å; S257-S259 PolarHBondContact O-N 3.15Å
260M42.9Very low61.5Low109 Ų10970.6 Ų70.654%0.53741%0.407SS..  trans9997172.4-121.394.972.300116.7K79 Q262 I263K79-M260 HydrophobicContact CD-CB 4.26Å; M260-Q262 PolarHBondContact O-N 3.41Å; M260-I263 HydrophobicContact CB-CD1 4.31Å; M260-I263 HydrophobicContact CG-CD1 4.23Å
261S40.9Very low59.9Low124 Ų12469.3 Ų69.387%0.86740%0.401SS*.THydrogen-bonded Turntrans-79.9-1.1-176.853.40000116.7
262Q44.6Very low58.6Low171 Ų17173.4 Ų73.480%0.79942%0.418SS*.THydrogen-bonded Turntrans-105.110-169.4-69.2-176.1-14.500115.5M260M260-Q262 PolarHBondContact O-N 3.41Å
263I42.6Very low57.4Low36 Ų3672.7 Ų72.719%0.18541%0.413CS..  trans-114.7-0.8-162.7-71.2171.6000114.4K79 M260 T265 V266K79-I263 HydrophobicContact CD-CB 4.26Å; K79-I263 HydrophobicContact CD-CD1 4.23Å; K79-I263 HydrophobicContact CD-CG2 4.16Å; M260-I263 HydrophobicContact CB-CD1 4.31Å; M260-I263 HydrophobicContact CG-CD1 4.23Å; I263-T265 PolarHBondContact O-N 2.94Å; I263-V266 HydrophobicContact CB-CG2 4.14Å; I263-V266 HydrophobicContact CG1-CG2 4.24Å; I263-V266 HydrophobicContact CG2-CB 3.67Å; I263-V266 HydrophobicContact CG2-CG1 4.38Å; I263-V266 HydrophobicContact CG2-CG2 3.61Å; I263-V266 VanDerWaalsContact O-CB 3.27Å; I263-V266 WeakPolarHBondContact O-CB 3.48Å; I263-V266 PolarHBondContact O-N 2.88Å
264G44Very low56.3Low41 Ų4172.7 Ų72.742%0.42341%0.413SS..Hα-helixtrans-52.5-28.5174.700000114.1V266G264-V266 VanDerWaalsContact C-N 3.31Å; G264-V266 PolarHBondContact O-N 3.46Å
265T46.1Very low55.5Low93 Ų9370.2 Ų70.257%0.57140%0.4SS*.Hα-helixtrans-71.7-18.8174.4-390000114I263 S268 N269I263-T265 PolarHBondContact O-N 2.94Å; T265-S268 PolarHBondContact O-OG 3.18Å; T265-N269 PolarHBondContact O-N 3.39Å
266V54.5Low55.1Low32 Ų3266.2 Ų66.219%0.19439%0.391CS..Hα-helixtrans-71.8-40.8-179.4177.40000110.6I263 G264 S268 N269 V270 L401 Y402I263-V266 HydrophobicContact CB-CG2 4.14Å; I263-V266 HydrophobicContact CG1-CG2 4.24Å; I263-V266 HydrophobicContact CG2-CB 3.67Å; I263-V266 HydrophobicContact CG2-CG1 4.38Å; I263-V266 HydrophobicContact CG2-CG2 3.61Å; I263-V266 VanDerWaalsContact O-CB 3.27Å; I263-V266 WeakPolarHBondContact O-CB 3.48Å; I263-V266 PolarHBondContact O-N 2.88Å; G264-V266 VanDerWaalsContact C-N 3.31Å; G264-V266 PolarHBondContact O-N 3.46Å; V266-S268 VanDerWaalsContact C-N 3.33Å; V266-S268 PolarHBondContact O-N 2.87Å; V266-N269 PolarHBondContact O-N 3.22Å; V266-V270 HydrophobicContact CG1-CG2 3.59Å; V266-V270 VanDerWaalsContact O-CB 3.23Å; V266-V270 WeakPolarHBondContact O-CB 3.26Å; V266-V270 WeakPolarHBondContact O-CG2 3.33Å; V266-V270 PolarHBondContact O-N 2.82Å; V266-L401 HydrophobicContact CG1-CB 4.45Å; V266-Y402 HydrophobicContact CG1-CE1 4.08Å
267L55.7Low55Low3 Ų361 Ų612%0.01636%0.357CS..Hα-helixtrans-64.6-34.8179.9-171.269.1000112.5E77 L82 L84 G271 Y402E77-L267 HydrophobicContact CB-CD1 4.34Å; L82-L267 HydrophobicContact CB-CD2 3.39Å; L82-L267 WeakPolarHBondContact O-CD2 3.39Å; L84-L267 HydrophobicContact CD1-CD1 4.41Å; L84-L267 HydrophobicContact CD1-CG 4.43Å; L267-G271 WeakPolarHBondContact O-CA 3.36Å; L267-G271 PolarHBondContact O-N 3.14Å; L267-Y402 VanDerWaalsContact CD1-OH 3.28Å; L267-Y402 WeakPolarHBondContact CD1-OH 3.4Å
268S58.5Low55.5Low52 Ų5259.3 Ų59.336%0.36435%0.345SS..Hα-helixtrans-65.8-46.7176.558.50000111.6T265 V266 G271 Q272T265-S268 PolarHBondContact O-OG 3.18Å; V266-S268 VanDerWaalsContact C-N 3.33Å; V266-S268 PolarHBondContact O-N 2.87Å; S268-G271 PolarHBondContact O-N 3.16Å; S268-Q272 WeakPolarHBondContact O-CG 3.32Å; S268-Q272 PolarHBondContact O-N 3.34Å
269N59.4Low56.2Low84 Ų8452.6 Ų52.645%0.44932%0.315SS..Hα-helixtrans-69.2-45.3-178.5-66.2-8.6000111.6T265 V266 G271 Q272 C273T265-N269 PolarHBondContact O-N 3.39Å; V266-N269 PolarHBondContact O-N 3.22Å; N269-G271 VanDerWaalsContact C-N 3.28Å; N269-Q272 PolarHBondContact O-N 2.88Å; N269-C273 PolarHBondContact O-N 3.35Å; N269-C273 VanDerWaalsContact O-N 3.07Å; N269-C273 PolarHBondContact O-SG 2.87Å
270V60.5Low56.8Low2 Ų253.4 Ų53.41%0.01231%0.308CS..Hα-helixtrans-68.1-34.7174.9176.80000110.5V266 Q272 C273 F274 I398 L401 Y402V266-V270 HydrophobicContact CG1-CG2 3.59Å; V266-V270 VanDerWaalsContact O-CB 3.23Å; V266-V270 WeakPolarHBondContact O-CB 3.26Å; V266-V270 WeakPolarHBondContact O-CG2 3.33Å; V266-V270 PolarHBondContact O-N 2.82Å; V270-Q272 VanDerWaalsContact C-N 3.34Å; V270-Q272 PolarHBondContact O-N 2.97Å; V270-C273 CarbonylContact O-C 3.52Å; V270-C273 WeakPolarHBondContact O-CB 3.48Å; V270-C273 PolarHBondContact O-N 3.32Å; V270-F274 WeakPolarHBondContact O-CB 3.49Å; V270-F274 PolarHBondContact O-N 3.39Å; V270-I398 HydrophobicContact CG1-CB 4.35Å; V270-I398 HydrophobicContact CG1-CD1 4.47Å; V270-I398 HydrophobicContact CG1-CG1 3.93Å; V270-I398 HydrophobicContact CG1-CG2 3.83Å; V270-L401 HydrophobicContact CG2-CB 4.15Å; V270-L401 HydrophobicContact CG2-CD1 3.52Å; V270-L401 HydrophobicContact CG2-CG 4.46Å; V270-Y402 HydrophobicContact CB-CE2 3.93Å; V270-Y402 HydrophobicContact CG1-CD2 4.11Å; V270-Y402 HydrophobicContact CG1-CE2 3.2Å; V270-Y402 HydrophobicContact CG2-CE2 4.04Å
271G62.1Low57.3Low5 Ų549 Ų495%0.05229%0.286CS..Hα-helixtrans-58.2-46.2175.700000112.5L267 S268 N269 F274 A275L267-G271 WeakPolarHBondContact O-CA 3.36Å; L267-G271 PolarHBondContact O-N 3.14Å; S268-G271 PolarHBondContact O-N 3.16Å; N269-G271 VanDerWaalsContact C-N 3.28Å; G271-F274 PolarHBondContact O-N 3.46Å; G271-A275 VanDerWaalsContact O-CB 3.24Å; G271-A275 WeakPolarHBondContact O-CB 3.05Å; G271-A275 PolarHBondContact O-N 3.23Å
272Q64.8Low57.7Low135 Ų13543.5 Ų43.563%0.63125%0.248SC*.Hα-helixtrans-65.7-43.1173.4-71.7176.2-25.600112S268 N269 V270 F274 A275 G276S268-Q272 WeakPolarHBondContact O-CG 3.32Å; S268-Q272 PolarHBondContact O-N 3.34Å; N269-Q272 PolarHBondContact O-N 2.88Å; V270-Q272 VanDerWaalsContact C-N 3.34Å; V270-Q272 PolarHBondContact O-N 2.97Å; Q272-F274 VanDerWaalsContact C-N 3.33Å; Q272-F274 PolarHBondContact O-N 2.94Å; Q272-A275 WeakPolarHBondContact O-CB 3.18Å; Q272-A275 PolarHBondContact O-N 2.92Å; Q272-G276 PolarHBondContact O-N 2.92Å
273C65.8Low57.8Low15 Ų1542.3 Ų42.310%0.10125%0.247CC..Hα-helixtrans-60.3-44.1175.3-69.30000111.8N269 V270 G276 V277 T394 I398N269-C273 PolarHBondContact O-N 3.35Å; N269-C273 VanDerWaalsContact O-N 3.07Å; N269-C273 PolarHBondContact O-SG 2.87Å; V270-C273 CarbonylContact O-C 3.52Å; V270-C273 WeakPolarHBondContact O-CB 3.48Å; V270-C273 PolarHBondContact O-N 3.32Å; C273-G276 WeakPolarHBondContact O-CA 3.48Å; C273-G276 PolarHBondContact O-N 3.22Å; C273-V277 WeakPolarHBondContact O-CG2 3.42Å; C273-V277 PolarHBondContact O-N 3.07Å; C273-T394 HydrophobicContact CB-CG2 3.77Å; C273-T394 WeakPolarHBondContact O-CG2 3.41Å; C273-I398 HydrophobicContact CB-CD1 3.92Å; C273-I398 HydrophobicContact CB-CG1 4Å
274F65.8Low58.2Low1 Ų149 Ų490%0.00428%0.278CS..Hα-helixtrans-71.1-39.5-179.8-171.1-94.8000110.9M73 V75 F86 F207 V270 G271 Q272 G276 V277 V278 L342 A343 I398M73-F274 HydrophobicContact CE-CE1 3.39Å; M73-F274 HydrophobicContact CE-CZ 3.74Å; M73-F274 HydrophobicContact SD-CE1 4.23Å; M73-F274 HydrophobicContact SD-CZ 4.18Å; V75-F274 HydrophobicContact CG2-CD1 4.08Å; V75-F274 HydrophobicContact CG2-CE1 3.54Å; V75-F274 HydrophobicContact CG2-CZ 4.23Å; F86-F274 HydrophobicContact CD2-CE1 4.38Å; F86-F274 AromaticContact CE2-CD1 3.64Å; F86-F274 HydrophobicContact CE2-CD1 3.64Å; F86-F274 AromaticContact CE2-CE1 3.88Å; F86-F274 HydrophobicContact CE2-CE1 3.88Å; F86-F274 AromaticContact CZ-CD1 3.87Å; F86-F274 HydrophobicContact CZ-CD1 3.87Å; F207-F274 HydrophobicContact CE2-CD2 4.48Å; F207-F274 HydrophobicContact CZ-CD2 4.02Å; F207-F274 HydrophobicContact CZ-CE2 4.22Å; V270-F274 WeakPolarHBondContact O-CB 3.49Å; V270-F274 PolarHBondContact O-N 3.39Å; G271-F274 PolarHBondContact O-N 3.46Å; Q272-F274 VanDerWaalsContact C-N 3.33Å; Q272-F274 PolarHBondContact O-N 2.94Å; F274-G276 PolarHBondContact O-N 3.31Å; F274-V277 WeakPolarHBondContact O-CA 3.39Å; F274-V277 WeakPolarHBondContact O-CB 3.3Å; F274-V277 PolarHBondContact O-N 3.45Å; F274-V278 HydrophobicContact CD1-CG2 3.84Å; F274-V278 HydrophobicContact CE1-CG2 3.46Å; F274-V278 VanDerWaalsContact CE1-CG2 3.46Å; F274-V278 HydrophobicContact CZ-CG2 3.97Å; F274-V278 VanDerWaalsContact O-CG2 3.31Å; F274-V278 WeakPolarHBondContact O-CG2 3.41Å; F274-V278 PolarHBondContact O-N 2.92Å; F274-L342 HydrophobicContact CD2-CD2 3.76Å; F274-L342 HydrophobicContact CE2-CD2 3.69Å; F274-L342 HydrophobicContact CE2-CG 4.23Å; F274-A343 HydrophobicContact CE2-CB 4.4Å; F274-A343 HydrophobicContact CZ-CB 4.24Å; F274-I398 HydrophobicContact CB-CD1 4.02Å; F274-I398 HydrophobicContact CD2-CD1 4.2Å
275A66.8Low58.3Low22 Ų2248.2 Ų48.218%0.18226%0.264CS..Hα-helixtrans-53.6-46.2169.100000110.3F86 G271 Q272 V277 V278 D279F86-A275 HydrophobicContact CE1-CB 3.54Å; F86-A275 HydrophobicContact CZ-CB 4.1Å; G271-A275 VanDerWaalsContact O-CB 3.24Å; G271-A275 WeakPolarHBondContact O-CB 3.05Å; G271-A275 PolarHBondContact O-N 3.23Å; Q272-A275 WeakPolarHBondContact O-CB 3.18Å; Q272-A275 PolarHBondContact O-N 2.92Å; A275-V277 VanDerWaalsContact C-N 3.33Å; A275-V277 PolarHBondContact O-N 2.84Å; A275-V278 PolarHBondContact O-N 3.45Å; A275-V278 VanDerWaalsContact O-N 3.17Å; A275-D279 VanDerWaalsContact O-CB 3.23Å; A275-D279 WeakPolarHBondContact O-CB 3.2Å; A275-D279 PolarHBondContact O-N 2.94Å
276G65Low58.4Low28 Ų2852.3 Ų52.329%0.28927%0.273SS..Hα-helixtrans-55.7-43.8172.900000113Q272 C273 F274 V278 D279 Y280Q272-G276 PolarHBondContact O-N 2.92Å; C273-G276 WeakPolarHBondContact O-CA 3.48Å; C273-G276 PolarHBondContact O-N 3.22Å; F274-G276 PolarHBondContact O-N 3.31Å; G276-V278 PolarHBondContact O-N 2.9Å; G276-D279 PolarHBondContact O-N 3.47Å; G276-Y280 WeakPolarHBondContact O-CA 3.24Å; G276-Y280 WeakPolarHBondContact O-CB 3.31Å; G276-Y280 PolarHBondContact O-N 3.23Å
277V66.3Low58Low0 Ų054.2 Ų54.20%029%0.288CS..Hα-helixtrans-62.8-39.8176.4170.10000112.4C273 F274 A275 A343 L391 T394 L395 I398C273-V277 WeakPolarHBondContact O-CG2 3.42Å; C273-V277 PolarHBondContact O-N 3.07Å; F274-V277 WeakPolarHBondContact O-CA 3.39Å; F274-V277 WeakPolarHBondContact O-CB 3.3Å; F274-V277 PolarHBondContact O-N 3.45Å; A275-V277 VanDerWaalsContact C-N 3.33Å; A275-V277 PolarHBondContact O-N 2.84Å; V277-A343 HydrophobicContact CG1-CB 4.21Å; V277-L391 HydrophobicContact CB-CD1 4.17Å; V277-L391 HydrophobicContact CG1-CD1 4.09Å; V277-L391 HydrophobicContact CG2-CD1 3.86Å; V277-T394 HydrophobicContact CG2-CG2 3.74Å; V277-L395 HydrophobicContact CB-CD2 4.41Å; V277-L395 HydrophobicContact CG1-CD2 3.76Å; V277-L395 HydrophobicContact CG2-CD2 3.72Å; V277-L395 HydrophobicContact CG2-CG 4.29Å; V277-I398 HydrophobicContact CG2-CD1 4.17Å
278V63.8Low57.5Low18 Ų1857.8 Ų57.811%0.10931%0.31CS..Hα-helixtrans-75.2-40-180-173.70000110.8M73 L91 F274 A275 G276 I285M73-V278 HydrophobicContact CE-CB 4.3Å; M73-V278 HydrophobicContact CE-CG1 3.91Å; M73-V278 HydrophobicContact CE-CG2 3.28Å; L91-V278 HydrophobicContact CD2-CG1 4.14Å; F274-V278 HydrophobicContact CD1-CG2 3.84Å; F274-V278 HydrophobicContact CE1-CG2 3.46Å; F274-V278 VanDerWaalsContact CE1-CG2 3.46Å; F274-V278 HydrophobicContact CZ-CG2 3.97Å; F274-V278 VanDerWaalsContact O-CG2 3.31Å; F274-V278 WeakPolarHBondContact O-CG2 3.41Å; F274-V278 PolarHBondContact O-N 2.92Å; A275-V278 PolarHBondContact O-N 3.45Å; A275-V278 VanDerWaalsContact O-N 3.17Å; G276-V278 PolarHBondContact O-N 2.9Å; V278-I285 HydrophobicContact CB-CD1 3.61Å; V278-I285 HydrophobicContact CG1-CD1 3.41Å; V278-I285 VanDerWaalsContact CG1-CD1 3.41Å
279D63.6Low56.9Low60 Ų6063.6 Ų63.632%0.32133%0.331SS..Hα-helixtrans-76.7-23.1-179.8-159.656.8000111.8A275 G276 F281 G282 Q284 I285A275-D279 VanDerWaalsContact O-CB 3.23Å; A275-D279 WeakPolarHBondContact O-CB 3.2Å; A275-D279 PolarHBondContact O-N 2.94Å; G276-D279 PolarHBondContact O-N 3.47Å; D279-F281 PolarHBondContact O-N 3.39Å; D279-G282 CarbonylContact O-C 3.55Å; D279-G282 PolarHBondContact O-N 3.21Å; D279-Q284 PolarHBondContact OD1-N 3.44Å; D279-I285 HydrophobicContact CB-CD1 3.77Å; D279-I285 HydrophobicContact CB-CG1 4.19Å; D279-I285 WeakPolarHBondContact OD1-CG1 3.41Å; D279-I285 PolarHBondContact OD1-N 2.95Å
280Y58.2Low56.1Low91 Ų9163.1 Ų63.136%0.35733%0.329SS..THydrogen-bonded Turntrans-52.9-22.9-175.8-164.6-101.7000114.3G276 I387 L391G276-Y280 WeakPolarHBondContact O-CA 3.24Å; G276-Y280 WeakPolarHBondContact O-CB 3.31Å; G276-Y280 PolarHBondContact O-N 3.23Å; Y280-I387 HydrophobicContact CE1-CB 4.31Å; Y280-I387 HydrophobicContact CE1-CG2 3.35Å; Y280-I387 WeakPolarHBondContact OH-CA 3.32Å; Y280-I387 WeakPolarHBondContact OH-CB 3.29Å; Y280-I387 WeakPolarHBondContact OH-CG1 3.5Å; Y280-I387 WeakPolarHBondContact OH-CG2 3.16Å; Y280-I387 PolarHBondContact OH-O 2.96Å; Y280-L391 HydrophobicContact CD1-CD2 4.04Å; Y280-L391 HydrophobicContact CE1-CD2 4.49Å; Y280-L391 HydrophobicContact CG-CD1 4.44Å
281F54Low55.3Low17 Ų1767.3 Ų67.38%0.07535%0.348CS..THydrogen-bonded Turntrans-116.42.6176.7-72.8-75.4000115.4N46 L48 D279 Q345 N348 L349 L391N46-F281 HydrophobicContact CB-CB 4.22Å; N46-F281 WeakPolarHBondContact ND2-CB 3.33Å; N46-F281 VanDerWaalsContact ND2-CD1 3.28Å; N46-F281 WeakPolarHBondContact ND2-CD1 3.49Å; N46-F281 WeakPolarHBondContact ND2-CG 3.48Å; L48-F281 HydrophobicContact CD1-CD1 3.89Å; D279-F281 PolarHBondContact O-N 3.39Å; F281-Q345 HydrophobicContact CD2-CG 4.47Å; F281-Q345 HydrophobicContact CE2-CB 4.25Å; F281-Q345 HydrophobicContact CE2-CG 4.31Å; F281-Q345 VanDerWaalsContact CE2-OE1 3.32Å; F281-N348 HydrophobicContact CE1-CB 4.41Å; F281-N348 HydrophobicContact CE2-CB 4.41Å; F281-N348 HydrophobicContact CZ-CB 4.15Å; F281-L349 HydrophobicContact CE1-CD2 4.41Å; F281-L349 HydrophobicContact CE2-CD2 3.9Å; F281-L349 HydrophobicContact CE2-CG 4.21Å; F281-L349 HydrophobicContact CZ-CD2 3.35Å; F281-L349 HydrophobicContact CZ-CG 3.78Å; F281-L391 HydrophobicContact CE2-CD2 4.13Å
282G49.8Very low54.2Low7 Ų771.2 Ų71.27%0.07238%0.375CS..SBendtrans-132.7129.9-179.200000110.5D279 Q284D279-G282 CarbonylContact O-C 3.55Å; D279-G282 PolarHBondContact O-N 3.21Å; G282-Q284 PolarHBondContact O-N 3Å
283N47.2Very low53.1Low147 Ų14774.5 Ų74.579%0.78639%0.39SS*.SBendtrans-65.4121.4171.4-70.9-25.4000109.7
284Q50Low52.1Low176 Ų17679.3 Ų79.382%0.82242%0.424SS*.  trans57.184.8166-59.8-150.2-0.100116.1D279 G282 K286D279-Q284 PolarHBondContact OD1-N 3.44Å; G282-Q284 PolarHBondContact O-N 3Å; Q284-K286 PolarHBondContact O-N 3.47Å
285I47.2Very low51.3Low25 Ų2581.8 Ų81.813%0.12844%0.441CS..  trans-68.3125157.4-61.2168.5000109.2F86 V278 D279 S287F86-I285 HydrophobicContact CB-CG2 4.32Å; F86-I285 HydrophobicContact CD1-CD1 4.21Å; F86-I285 HydrophobicContact CD1-CG2 3.9Å; V278-I285 HydrophobicContact CB-CD1 3.61Å; V278-I285 HydrophobicContact CG1-CD1 3.41Å; V278-I285 VanDerWaalsContact CG1-CD1 3.41Å; D279-I285 HydrophobicContact CB-CD1 3.77Å; D279-I285 HydrophobicContact CB-CG1 4.19Å; D279-I285 WeakPolarHBondContact OD1-CG1 3.41Å; D279-I285 PolarHBondContact OD1-N 2.95Å; I285-S287 PolarHBondContact O-N 3Å
286K46.7Very low50.7Low179 Ų17986 Ų8678%0.77847%0.47SS*.EExtended strand (participates in β ladder)trans-70.689.3154.6-65.5-177.3-178.7-176.80106.5Q284 T288Q284-K286 PolarHBondContact O-N 3.47Å; K286-T288 VanDerWaalsContact C-N 3.31Å; K286-T288 PolarHBondContact O-N 3.06Å
287S46.1Very low50.8Low71 Ų7187 Ų8750%0.49747%0.466SS..EExtended strand (participates in β ladder)trans-69.1100.1163.255.20000105.5I285 E289I285-S287 PolarHBondContact O-N 3Å; S287-E289 PolarHBondContact O-N 3.39Å; S287-E289 VanDerWaalsContact O-N 3.09Å
288T45.3Very low51.2Low78 Ų7890.4 Ų90.448%0.47949%0.49SS..EExtended strand (participates in β ladder)trans-65.9113168-12.50000105.6K286K286-T288 VanDerWaalsContact C-N 3.31Å; K286-T288 PolarHBondContact O-N 3.06Å
289E45.6Very low52.1Low174 Ų17491.8 Ų91.881%0.81350%0.498SS*.  trans-45.1140.9175.8-68.8176.9153.900110.3S287 E291S287-E289 PolarHBondContact O-N 3.39Å; S287-E289 VanDerWaalsContact O-N 3.09Å; E289-E291 PolarHBondContact O-N 3.25Å
290N44Very low53.3Low74 Ų7489.4 Ų89.440%0.39649%0.486SS..  trans-1.490.8164.8-63.5-23.6000112.6S292N290-S292 PolarHBondContact O-N 3.35Å; N290-S292 PolarHBondContact O-OG 2.71Å; N290-S292 VanDerWaalsContact O-OG 3.11Å
291E42.9Very low55Low91 Ų9186.9 Ų86.943%0.42548%0.482SS..  trans-62.497.9169.4-83.5-173.1-175.800106.5Y83 E289 E293 S295Y83-E291 HydrophobicContact CE2-CB 4.21Å; Y83-E291 VanDerWaalsContact OH-CB 3.22Å; Y83-E291 WeakPolarHBondContact OH-CB 3.45Å; Y83-E291 PolarHBondContact OH-OE2 2.76Å; E289-E291 PolarHBondContact O-N 3.25Å; E291-E293 PolarHBondContact O-N 3.45Å; E291-S295 PolarHBondContact OE2-OG 3.4Å
292S39.8Very low57Low87 Ų8786.2 Ų86.261%0.60848%0.479SS*.  trans-75.3111.9-179.7-600000107.1N290 S294N290-S292 PolarHBondContact O-N 3.35Å; N290-S292 PolarHBondContact O-OG 2.71Å; N290-S292 VanDerWaalsContact O-OG 3.11Å; S292-S294 VanDerWaalsContact C-N 3.34Å; S292-S294 PolarHBondContact O-N 2.95Å
293E41.9Very low59.2Low203 Ų20389.9 Ų89.995%0.94950%0.5SS*.SBendtrans61.3-2.7151.5-66.1-175.1157.500121.2E291E291-E293 PolarHBondContact O-N 3.45Å
294S44.4Very low61.5Low117 Ų11784.8 Ų84.882%0.81848%0.476SS*.SBendtrans-105.1-25.9-176.862.90000117.1S292S292-S294 VanDerWaalsContact C-N 3.34Å; S292-S294 PolarHBondContact O-N 2.95Å
295S48.6Very low63.7Low52 Ų5277 Ų7736%0.36444%0.44SS..SBendtrans-98.6121.1172.479.80000108.9Y83 E291 F297Y83-S295 PolarHBondContact OH-OG 3.36Å; E291-S295 PolarHBondContact OE2-OG 3.4Å; S295-F297 PolarHBondContact O-N 3.38Å
296S55.1Low66Low111 Ų11176.1 Ų76.178%0.77644%0.435SS*.  trans-63.2115.2177.365.60000108.4S298S296-S298 PolarHBondContact O-N 3.06Å
297F66.7Low68.1Low50 Ų5071.2 Ų71.222%0.21942%0.421CS..  trans-66.2102.4174173.2-104.1000108.6K74 W76 Y83 S295 T299K74-F297 HydrophobicContact CB-CE2 3.94Å; K74-F297 HydrophobicContact CD-CD2 4Å; K74-F297 HydrophobicContact CD-CE2 3.66Å; K74-F297 HydrophobicContact CG-CE2 4.42Å; W76-F297 AromaticContact CD2-CE1 3.74Å; W76-F297 HydrophobicContact CD2-CE1 3.74Å; W76-F297 AromaticContact CD2-CZ 3.48Å; W76-F297 HydrophobicContact CD2-CZ 3.48Å; W76-F297 VanDerWaalsContact CD2-CZ 3.48Å; W76-F297 AromaticContact CE2-CE1 3.81Å; W76-F297 AromaticContact CE2-CZ 3.85Å; W76-F297 HydrophobicContact CE3-CE1 4.15Å; W76-F297 HydrophobicContact CE3-CE2 4.22Å; W76-F297 AromaticContact CE3-CZ 3.4Å; W76-F297 HydrophobicContact CE3-CZ 3.4Å; W76-F297 VanDerWaalsContact CE3-CZ 3.4Å; W76-F297 AromaticContact CG-CE1 3.93Å; W76-F297 HydrophobicContact CG-CE1 3.93Å; W76-F297 HydrophobicContact CG-CZ 4Å; W76-F297 HydrophobicContact CH2-CZ 4.08Å; W76-F297 HydrophobicContact CZ2-CE1 4.28Å; W76-F297 HydrophobicContact CZ2-CZ 4.14Å; W76-F297 AromaticContact CZ3-CZ 3.72Å; W76-F297 HydrophobicContact CZ3-CZ 3.72Å; Y83-F297 HydrophobicContact CD1-CB 3.9Å; Y83-F297 HydrophobicContact CD1-CD2 4.08Å; Y83-F297 HydrophobicContact CD1-CG 4.07Å; Y83-F297 HydrophobicContact CD2-CD2 4.13Å; Y83-F297 HydrophobicContact CE1-CB 3.84Å; Y83-F297 HydrophobicContact CE1-CD2 4.46Å; Y83-F297 HydrophobicContact CE1-CG 4.43Å; Y83-F297 AromaticContact CG-CD2 3.9Å; Y83-F297 HydrophobicContact CG-CD2 3.9Å; Y83-F297 HydrophobicContact CG-CE2 4.47Å; Y83-F297 HydrophobicContact CG-CG 4.31Å; S295-F297 PolarHBondContact O-N 3.38Å; F297-T299 HydrophobicContact CD1-CG2 4.09Å; F297-T299 HydrophobicContact CE1-CG2 3.52Å; F297-T299 HydrophobicContact CZ-CG2 4.37Å; F297-T299 PolarHBondContact O-N 2.99Å
298S73.9Confident70.1Confident70 Ų7074.7 Ų74.749%0.4943%0.434SS..PPolyproline II helixtrans-80.5116.1173.256.80000110.4S296S296-S298 PolarHBondContact O-N 3.06Å
299T82.5Confident72.2Confident47 Ų4772.2 Ų72.229%0.28842%0.42SS..PPolyproline II helixtrans-72.4140.3169.748.60000110W76 L253 F297W76-T299 HydrophobicContact CZ2-CG2 4.25Å; L253-T299 WeakPolarHBondContact O-CG2 3.23Å; F297-T299 HydrophobicContact CD1-CG2 4.09Å; F297-T299 HydrophobicContact CE1-CG2 3.52Å; F297-T299 HydrophobicContact CZ-CG2 4.37Å; F297-T299 PolarHBondContact O-N 2.99Å
300P89.3Confident74.4Confident10 Ų1072.2 Ų72.27%0.06542%0.417CS..PPolyproline II helixtrans-65.8138.9173.928.8-33.9000110.5L194 W204 L215L194-P300 HydrophobicContact CD2-CB 4.2Å; W204-P300 HydrophobicContact CB-CG 4.24Å; W204-P300 HydrophobicContact CD2-CB 4.01Å; W204-P300 HydrophobicContact CD2-CG 3.66Å; W204-P300 HydrophobicContact CE3-CB 4.05Å; W204-P300 HydrophobicContact CE3-CG 4.01Å; W204-P300 HydrophobicContact CG-CG 3.77Å; W204-P300 HydrophobicContact CH2-CB 4.05Å; W204-P300 HydrophobicContact CZ2-CB 4.05Å; W204-P300 HydrophobicContact CZ2-CG 4.49Å; W204-P300 HydrophobicContact CZ3-CB 4.06Å; L215-P300 HydrophobicContact CD1-CB 4.1Å; L215-P300 HydrophobicContact CD1-CG 3.52Å
301S93.4Very high76.8Confident39 Ų3970.3 Ų70.327%0.27340%0.404SS..  trans-110.4133.8174.2175.10000109.4E195E195-S301 PolarHBondContact N-O 2.69Å; E195-S301 WeakPolarHBondContact OE2-CB 3.26Å; E195-S301 PolarHBondContact OE2-OG 3.18Å
302V96.4Very high79.3Confident3 Ų367.9 Ų67.92%0.01840%0.4CS..EExtended strand (participates in β ladder)trans-108.1131.9-176.4-1800000109.9L192 K193 L194 I246 L249 N250 L253L192-V302 HydrophobicContact CB-CG1 3.84Å; L192-V302 HydrophobicContact CD1-CG1 4.05Å; L192-V302 HydrophobicContact CD1-CG2 4.04Å; L192-V302 HydrophobicContact CD2-CG1 4.33Å; L192-V302 HydrophobicContact CG-CG1 4.31Å; K193-V302 WeakPolarHBondContact O-CG1 3.23Å; L194-V302 HydrophobicContact CD2-CG2 4.38Å; I246-V302 HydrophobicContact CD1-CG1 3.59Å; I246-V302 HydrophobicContact CG2-CB 4.4Å; I246-V302 HydrophobicContact CG2-CG1 4.22Å; I246-V302 VanDerWaalsContact CG2-O 3.25Å; I246-V302 WeakPolarHBondContact CG2-O 3.27Å; L249-V302 HydrophobicContact CD2-CB 4.45Å; L249-V302 HydrophobicContact CD2-CG2 4.08Å; N250-V302 PolarHBondContact ND2-O 2.79Å; N250-V302 WeakPolarHBondContact OD1-CB 3.46Å; N250-V302 PolarHBondContact OD1-N 2.96Å; L253-V302 HydrophobicContact CD1-CG2 4.42Å
303V96Very high81.9Confident83 Ų8365.9 Ų65.950%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-91.1-47.6-179.9178.20000111.4K193 E195K193-V303 PolarHBondContact O-N 3.17Å; E195-V303 HydrophobicContact CB-CG2 3.57Å; E195-V303 HydrophobicContact CG-CG2 4.06Å
304S96.4Very high84.2Confident41 Ų4159.4 Ų59.429%0.28735%0.354SS..EExtended strand (participates in β ladder)trans-157.3165.1-173.575.10000111.9K193K193-S304 PolarHBondContact N-O 3.01Å
305I96Very high86.5Confident13 Ų1357.7 Ų57.77%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-70.8147.9160.2-54.1-172.4000107.9T191 L192 D242 F245 I246 R311T191-I305 WeakPolarHBondContact O-CG2 3.47Å; L192-I305 HydrophobicContact CD2-CG1 4.05Å; D242-I305 HydrophobicContact CB-CD1 3.96Å; D242-I305 HydrophobicContact CB-CG1 4.4Å; F245-I305 HydrophobicContact CD1-CD1 4.04Å; F245-I305 HydrophobicContact CE1-CD1 4.41Å; I246-I305 HydrophobicContact CD1-CG1 3.88Å; I246-I305 HydrophobicContact CG1-CG1 4.19Å; I305-R311 VanDerWaalsContact CD1-CD 3.42Å; I305-R311 HydrophobicContact CD1-CG 3.59Å
306Q95.1Very high88.5Confident5 Ų555.6 Ų55.62%0.02333%0.325CS..PPolyproline II helixtrans-59.6131.2175.6-176.2-179.4-100.200109.8Y38 T191 Y222 T309Y38-Q306 VanDerWaalsContact N-OE1 3.13Å; Y38-Q306 PolarHBondContact O-NE2 3.24Å; T191-Q306 HydrophobicContact CG2-CB 3.77Å; T191-Q306 HydrophobicContact CG2-CG 4.3Å; T191-Q306 PolarHBondContact O-N 3.41Å; Y222-Q306 HydrophobicContact CD1-CB 4.24Å; Y222-Q306 HydrophobicContact CD1-CG 4.21Å; Y222-Q306 HydrophobicContact CE1-CB 3.94Å; Y222-Q306 HydrophobicContact CE1-CG 3.7Å; Q306-T309 HydrophobicContact CB-CG2 4.22Å; Q306-T309 HydrophobicContact CG-CG2 4.22Å; Q306-T309 PolarHBondContact O-N 3.26Å; Q306-T309 PolarHBondContact O-OG1 2.7Å
307P91.6Very high90Very high76 Ų7650.4 Ų50.449%0.49429%0.289SS..THydrogen-bonded Turntrans-52150175.8-26.835.1000112.4T309P307-T309 PolarHBondContact O-N 3.19Å
308N87.2Confident91.2Very high144 Ų14448.5 Ų48.577%0.7728%0.281SS*.THydrogen-bonded Turntrans60.78.9179-51.6-37.4000115.8E37E37-N308 HydrophobicContact CG-CB 4.49Å; E37-N308 PolarHBondContact OE1-ND2 3.25Å
309T90Very high92Very high27 Ų2747 Ų4717%0.16627%0.266CS..  trans-106.8162.5171.469.30000111.5Q306 P307Q306-T309 HydrophobicContact CB-CG2 4.22Å; Q306-T309 HydrophobicContact CG-CG2 4.22Å; Q306-T309 PolarHBondContact O-N 3.26Å; Q306-T309 PolarHBondContact O-OG1 2.7Å; P307-T309 PolarHBondContact O-N 3.19Å
310K90.9Very high92.5Very high174 Ų17445.4 Ų45.476%0.75726%0.255SS*.  trans-125144.8177.3-65.6-172.3179.1-176.20109.8N40N40-K310 PolarHBondContact ND2-O 2.88Å
311R94.8Very high92.6Very high34 Ų3444.9 Ų44.913%0.12825%0.252CS..  trans-61.4143.3167.3-66.1175.9-84.1150.56.2109.7A190 L237 M238 L240 D242 F245 I305A190-R311 HydrophobicContact CB-CG 3.97Å; L237-R311 PolarHBondContact O-NH1 3.01Å; M238-R311 HydrophobicContact CE-CB 4.07Å; M238-R311 HydrophobicContact SD-CB 3.85Å; L240-R311 PolarHBondContact O-NH2 3.41Å; D242-R311 IonicContact OD1-CZ 2.77Å; D242-R311 VanDerWaalsContact OD1-CZ 3.26Å; D242-R311 IonicContact OD1-NE 2.69Å; D242-R311 PolarHBondContact OD1-NE 2.78Å; D242-R311 VanDerWaalsContact OD1-NE 3.12Å; D242-R311 IonicContact OD1-NH2 2.99Å; D242-R311 PolarHBondContact OD1-NH2 2.82Å; F245-R311 VanDerWaalsContact CD2-NH1 3.3Å; F245-R311 VanDerWaalsContact CG-NH1 3.31Å; I305-R311 VanDerWaalsContact CD1-CD 3.42Å; I305-R311 HydrophobicContact CD1-CG 3.59Å
312A95Very high92.5Very high40 Ų4044.7 Ų44.733%0.33125%0.249SC..EExtended strand (participates in β ladder)trans-128.4155.617200000109.7I188 V189I188-A312 CarbonylContact C-O 3.6Å; I188-A312 WeakPolarHBondContact CA-O 3.1Å; V189-A312 HydrophobicContact CG2-CB 3.86Å; V189-A312 PolarHBondContact N-O 3.44Å; V189-A312 PolarHBondContact O-N 2.8Å
313C94.1Very high92.3Very high45 Ų4549.6 Ų49.630%0.30427%0.27SS..EExtended strand (participates in β ladder)trans-138.1138.5-176.5-172.20000109.8K186 A187 I188 M238K186-C313 WeakPolarHBondContact CB-SG 3.41Å; A187-C313 VanDerWaalsContact O-CA 3.3Å; A187-C313 WeakPolarHBondContact O-CA 3.19Å; I188-C313 HydrophobicContact CG1-CB 4.44Å; M238-C313 HydrophobicContact CE-CB 4.17Å; M238-C313 HydrophobicContact CG-CB 3.83Å; M238-C313 HydrophobicContact SD-CB 3.83Å
314F91.6Very high92.3Very high66 Ų6645.6 Ų45.629%0.28925%0.246SC..EExtended strand (participates in β ladder)trans-140.3145.9177.557.3-91.9000112.3K186 A187 V189 L316K186-F314 CarbonylContact C-O 3.21Å; K186-F314 VanDerWaalsContact CA-O 3.23Å; K186-F314 WeakPolarHBondContact CA-O 3.5Å; K186-F314 WeakPolarHBondContact CB-O 3.42Å; A187-F314 HydrophobicContact CB-CD2 4.24Å; A187-F314 HydrophobicContact CB-CE1 4.1Å; A187-F314 HydrophobicContact CB-CE2 3.7Å; A187-F314 HydrophobicContact CB-CZ 3.62Å; A187-F314 PolarHBondContact N-O 3.45Å; A187-F314 PolarHBondContact O-N 3.09Å; V189-F314 HydrophobicContact CG1-CE1 3.56Å; V189-F314 HydrophobicContact CG1-CZ 4.2Å; V189-F314 HydrophobicContact CG2-CE1 4.19Å; F314-L316 HydrophobicContact CD2-CD2 4.1Å; F314-L316 HydrophobicContact CE2-CD2 3.75Å
315P92.3Very high92.2Very high82 Ų8244 Ų4453%0.53224%0.235SC..EExtended strand (participates in β ladder)trans-69.2144.7-179.529.4-35.1000111.4R338P315-R338 PolarHBondContact O-NH2 3.41Å
316L89.5Confident92.1Very high7 Ų744.6 Ų44.64%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-101.5141.5174.8-60.6-178.5000111H183 Q185 A187 F314 L340 P341H183-L316 PolarHBondContact N-O 3.49Å; Q185-L316 HydrophobicContact CB-CB 4.2Å; Q185-L316 HydrophobicContact CB-CD1 4.06Å; Q185-L316 HydrophobicContact CB-CG 4.49Å; Q185-L316 PolarHBondContact O-N 3.4Å; A187-L316 HydrophobicContact CB-CD1 4.17Å; A187-L316 HydrophobicContact CB-CD2 3.81Å; A187-L316 HydrophobicContact CB-CG 4.14Å; F314-L316 HydrophobicContact CD2-CD2 4.1Å; F314-L316 HydrophobicContact CE2-CD2 3.75Å; L316-L340 HydrophobicContact CB-CD2 4.3Å; L316-P341 HydrophobicContact CD2-CG 3.67Å
317G88Confident92.1Very high3 Ų346.5 Ų46.53%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-163150.9179.700000110.6W181 R338W181-G317 WeakPolarHBondContact O-CA 3.3Å; G317-R338 WeakPolarHBondContact O-CD 3.45Å; G317-R338 PolarHBondContact O-NE 3.11Å
318F90.5Very high92.3Very high10 Ų1043.6 Ų43.64%0.04423%0.233CC..EExtended strand (participates in β ladder)trans-98.3135.6170.7173.9-105000109.1G180 W181 H320 R338 I339 A392 E396 F430G180-F318 CarbonylContact C-O 3.52Å; G180-F318 WeakPolarHBondContact CA-O 3.43Å; W181-F318 HydrophobicContact CD2-CB 4.45Å; W181-F318 HydrophobicContact CD2-CD1 4.08Å; W181-F318 AromaticContact CE2-CD1 3.81Å; W181-F318 AromaticContact CE3-CD1 3.96Å; W181-F318 HydrophobicContact CE3-CD1 3.96Å; W181-F318 AromaticContact CH2-CD1 3.2Å; W181-F318 HydrophobicContact CH2-CD1 3.2Å; W181-F318 AromaticContact CH2-CE1 3.41Å; W181-F318 HydrophobicContact CH2-CE1 3.41Å; W181-F318 VanDerWaalsContact CH2-CE1 3.41Å; W181-F318 HydrophobicContact CH2-CG 4.16Å; W181-F318 HydrophobicContact CZ2-CB 4.17Å; W181-F318 AromaticContact CZ2-CD1 3.4Å; W181-F318 HydrophobicContact CZ2-CD1 3.4Å; W181-F318 VanDerWaalsContact CZ2-CD1 3.4Å; W181-F318 HydrophobicContact CZ2-CE1 4.02Å; W181-F318 AromaticContact CZ2-CG 3.93Å; W181-F318 HydrophobicContact CZ2-CG 3.93Å; W181-F318 AromaticContact CZ3-CD1 3.54Å; W181-F318 HydrophobicContact CZ3-CD1 3.54Å; W181-F318 AromaticContact CZ3-CE1 3.77Å; W181-F318 HydrophobicContact CZ3-CE1 3.77Å; W181-F318 PolarHBondContact N-O 2.57Å; W181-F318 PolarHBondContact O-N 2.88Å; F318-H320 HydrophobicContact CE1-CB 4.14Å; F318-H320 HydrophobicContact CE2-CB 4.15Å; F318-H320 HydrophobicContact CZ-CB 3.55Å; F318-R338 WeakPolarHBondContact CA-O 3.48Å; F318-R338 WeakPolarHBondContact CD2-O 3.49Å; F318-I339 HydrophobicContact CE2-CG2 4.46Å; F318-A392 HydrophobicContact CE2-CB 3.7Å; F318-A392 HydrophobicContact CZ-CB 4.28Å; F318-E396 HydrophobicContact CD2-CG 4.29Å; F318-E396 HydrophobicContact CG-CG 4.39Å; F318-F430 HydrophobicContact CZ-CE2 4.43Å
319Q90.9Very high92.8Very high38 Ų3836.7 Ų36.718%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-152.9130171.5-169.5-175.8-85.900110.2F166 R171 T178 I179 H337 R338F166-Q319 PolarHBondContact O-NE2 3.37Å; R171-Q319 VanDerWaalsContact CZ-NE2 3.27Å; R171-Q319 VanDerWaalsContact NH1-NE2 3.19Å; R171-Q319 VanDerWaalsContact NH2-NE2 3.13Å; T178-Q319 HydrophobicContact CG2-CG 3.97Å; I179-Q319 CarbonylContact O-C 3.5Å; I179-Q319 WeakPolarHBondContact O-CA 3.44Å; Q319-H337 CarbonylContact O-C 3.51Å; Q319-H337 WeakPolarHBondContact O-CA 3.31Å; Q319-R338 HydrophobicContact CB-CB 4.12Å; Q319-R338 PolarHBondContact N-O 2.95Å; Q319-R338 PolarHBondContact O-N 2.92Å
320H92.6Very high93.2Very high13 Ų1335.4 Ų35.46%0.0619%0.188CC..EExtended strand (participates in β ladder)trans-136.5127.3-178.8-174-80.3000110.5T178 I179 F318 Y324 V389T178-H320 CarbonylContact C-O 3.19Å; T178-H320 VanDerWaalsContact CA-O 3.3Å; T178-H320 WeakPolarHBondContact CA-O 3.31Å; I179-H320 PolarHBondContact N-O 3.42Å; I179-H320 PolarHBondContact O-N 2.96Å; F318-H320 HydrophobicContact CE1-CB 4.14Å; F318-H320 HydrophobicContact CE2-CB 4.15Å; F318-H320 HydrophobicContact CZ-CB 3.55Å; H320-Y324 AromaticContact CE1-CE1 3.63Å; H320-Y324 AromaticContact CE1-CZ 3.92Å; H320-Y324 PolarHBondContact CE1-OH 3.36Å; H320-Y324 AromaticContact NE2-CE1 3.68Å; H320-Y324 AromaticContact NE2-CZ 3.55Å; H320-Y324 PolarHBondContact NE2-OH 3.47Å; H320-V389 WeakPolarHBondContact NE2-CG2 3.28Å
321A92.7Very high93.6Very high0 Ų027.1 Ų27.10%015%0.152CC..EExtended strand (participates in β ladder)trans-72.8137.8176.900000110.9I176 T178 F323 Y324 L331 A336I176-A321 HydrophobicContact CG2-CB 3.85Å; T178-A321 HydrophobicContact CG2-CB 4.4Å; A321-F323 WeakPolarHBondContact CB-O 3.45Å; A321-F323 PolarHBondContact O-N 3.39Å; A321-Y324 HydrophobicContact CB-CD1 4.19Å; A321-Y324 HydrophobicContact CB-CE1 4.44Å; A321-L331 HydrophobicContact CB-CD1 4.38Å; A321-A336 WeakPolarHBondContact CB-O 3.26Å; A321-A336 PolarHBondContact N-O 3.48Å
322T90.4Very high93.7Very high35 Ų3525.6 Ų25.622%0.21515%0.146CC..SBendtrans-62.7-31.5177.445.40000112.7H177 I179 Q385H177-T322 HydrophobicContact CB-CG2 4.12Å; H177-T322 WeakPolarHBondContact O-CB 3.35Å; H177-T322 WeakPolarHBondContact O-CG2 3.47Å; H177-T322 PolarHBondContact O-N 3Å; H177-T322 PolarHBondContact O-OG1 2.85Å; I179-T322 HydrophobicContact CD1-CG2 4.26Å; T322-Q385 PolarHBondContact O-NE2 3Å
323F92.6Very high93.8Very high105 Ų10523.7 Ų23.746%0.46113%0.131SC..  trans-138.3150.4170.7-62.5-81.5000108.8I176 A321 S325 T381I176-F323 WeakPolarHBondContact CG2-O 3.47Å; A321-F323 WeakPolarHBondContact CB-O 3.45Å; A321-F323 PolarHBondContact O-N 3.39Å; F323-S325 VanDerWaalsContact C-N 3.31Å; F323-T381 HydrophobicContact CB-CG2 4.38Å; F323-T381 HydrophobicContact CD1-CG2 4.29Å
324Y95.6Very high93.8Very high0 Ų024.8 Ų24.80%013%0.134CC..SBendtrans-96.86.5175.8-57.3-7.9000111.5H320 A321 A330 L331 A336 H337 Y380 T381 R384 Q385 I388H320-Y324 AromaticContact CE1-CE1 3.63Å; H320-Y324 AromaticContact CE1-CZ 3.92Å; H320-Y324 PolarHBondContact CE1-OH 3.36Å; H320-Y324 AromaticContact NE2-CE1 3.68Å; H320-Y324 AromaticContact NE2-CZ 3.55Å; H320-Y324 PolarHBondContact NE2-OH 3.47Å; A321-Y324 HydrophobicContact CB-CD1 4.19Å; A321-Y324 HydrophobicContact CB-CE1 4.44Å; Y324-A330 CarbonylContact O-C 3.52Å; Y324-A330 WeakPolarHBondContact O-CA 3.4Å; Y324-L331 PolarHBondContact O-N 3.14Å; Y324-A336 HydrophobicContact CD1-CB 3.76Å; Y324-A336 HydrophobicContact CD2-CB 4.25Å; Y324-A336 HydrophobicContact CE1-CB 4.1Å; Y324-A336 HydrophobicContact CG-CB 3.87Å; Y324-H337 AromaticContact CZ-CD2 3.92Å; Y324-Y380 HydrophobicContact CD2-CE1 4.46Å; Y324-T381 HydrophobicContact CG-CG2 4.35Å; Y324-T381 PolarHBondContact N-OG1 2.66Å; Y324-R384 HydrophobicContact CD2-CB 3.75Å; Y324-R384 HydrophobicContact CE2-CB 3.58Å; Y324-Q385 HydrophobicContact CD1-CG 4.4Å; Y324-Q385 HydrophobicContact CD2-CG 4.47Å; Y324-Q385 HydrophobicContact CE1-CG 3.9Å; Y324-Q385 HydrophobicContact CE2-CG 3.99Å; Y324-I388 HydrophobicContact CE2-CD1 3.68Å; Y324-I388 WeakPolarHBondContact OH-CB 3.21Å; Y324-I388 VanDerWaalsContact OH-CG2 3.31Å; Y324-I388 WeakPolarHBondContact OH-CG2 3.43Å
325S95.3Very high94Very high7 Ų721.7 Ų21.75%0.04912%0.12CC..EExtended strand (participates in β ladder)trans-151.8155.5-179.163.70000112.6F323 V329 L377 T381F323-S325 VanDerWaalsContact C-N 3.31Å; S325-V329 CarbonylContact C-O 3.54Å; S325-V329 WeakPolarHBondContact CA-O 3.23Å; S325-V329 WeakPolarHBondContact CB-O 2.92Å; S325-L377 PolarHBondContact OG-O 2.8Å; S325-L377 VanDerWaalsContact OG-O 3.09Å; S325-T381 PolarHBondContact N-OG1 2.92Å; S325-T381 PolarHBondContact OG-OG1 2.73Å
326A94.3Very high94.1Very high25 Ų2517.8 Ų17.821%0.20710%0.095CC..EExtended strand (participates in β ladder)trans-134.6-180162.100000108.6A174 I176 R328 V329 L377A174-A326 HydrophobicContact CB-CB 4.31Å; I176-A326 HydrophobicContact CD1-CB 4.33Å; A326-R328 PolarHBondContact O-N 3.38Å; A326-R328 VanDerWaalsContact O-N 3.1Å; A326-V329 HydrophobicContact CB-CB 4.26Å; A326-V329 PolarHBondContact N-O 2.98Å; A326-V329 PolarHBondContact O-N 3.49Å; A326-L377 WeakPolarHBondContact O-CD1 3.46Å
327T93.9Very high94.3Very high45 Ų4517.6 Ų17.628%0.2769%0.094SC..THydrogen-bonded Turntrans-54121.3175.3-56.60000109.6P131 P136 V329P131-T327 HydrophobicContact CG-CG2 3.99Å; P136-T327 HydrophobicContact CB-CG2 3.9Å; T327-V329 PolarHBondContact O-N 3.32Å; T327-V329 VanDerWaalsContact O-N 3.15Å
328R96.2Very high94.5Very high15 Ų1519.2 Ų19.26%0.05710%0.099CC..THydrogen-bonded Turntrans58.518-176.7-55.7-173.4174.3-91.113.3116P131 P136 E137 H138 V140 D158 L160 A326 N370 G372P131-R328 HydrophobicContact CG-CB 4.37Å; P131-R328 HydrophobicContact CG-CG 4.27Å; P136-R328 PolarHBondContact O-NE 2.84Å; E137-R328 PolarHBondContact O-NH2 3.41Å; H138-R328 WeakPolarHBondContact O-CD 3.19Å; H138-R328 PolarHBondContact O-NE 2.78Å; V140-R328 HydrophobicContact CG2-CB 3.65Å; D158-R328 VanDerWaalsContact CA-NH1 3.31Å; D158-R328 VanDerWaalsContact O-CB 3.31Å; D158-R328 WeakPolarHBondContact O-CB 3.5Å; D158-R328 WeakPolarHBondContact O-CD 3.34Å; D158-R328 VanDerWaalsContact O-CG 3.28Å; D158-R328 WeakPolarHBondContact O-CG 3.4Å; D158-R328 PolarHBondContact O-NH1 3.33Å; D158-R328 IonicContact OD1-CZ 3.78Å; D158-R328 IonicContact OD1-NH1 2.85Å; D158-R328 PolarHBondContact OD1-NH1 3.27Å; D158-R328 IonicContact OD1-NH2 3.81Å; L160-R328 PolarHBondContact N-O 2.83Å; A326-R328 PolarHBondContact O-N 3.38Å; A326-R328 VanDerWaalsContact O-N 3.1Å; R328-N370 PolarHBondContact NH1-OD1 3.34Å; R328-N370 VanDerWaalsContact NH1-OD1 3.11Å; R328-G372 PolarHBondContact N-O 2.99Å
329V97.6Very high94.3Very high0 Ų019.7 Ų19.70%010%0.102CC..EExtended strand (participates in β ladder)trans-132.3133.4178178.80000110.9L130 L160 V170 A174 S325 A326 T327L130-V329 HydrophobicContact CD1-CG2 3.96Å; L130-V329 HydrophobicContact CD2-CG2 3.45Å; L130-V329 VanDerWaalsContact CD2-CG2 3.45Å; L130-V329 HydrophobicContact CG-CG2 4.34Å; L160-V329 VanDerWaalsContact O-CA 3.29Å; L160-V329 WeakPolarHBondContact O-CA 2.89Å; V170-V329 HydrophobicContact CG1-CG1 3.56Å; A174-V329 HydrophobicContact CB-CG1 4.11Å; S325-V329 CarbonylContact C-O 3.54Å; S325-V329 WeakPolarHBondContact CA-O 3.23Å; S325-V329 WeakPolarHBondContact CB-O 2.92Å; A326-V329 HydrophobicContact CB-CB 4.26Å; A326-V329 PolarHBondContact N-O 2.98Å; A326-V329 PolarHBondContact O-N 3.49Å; T327-V329 PolarHBondContact O-N 3.32Å; T327-V329 VanDerWaalsContact O-N 3.15Å
330A98.4Very high94Very high0 Ų018.1 Ų18.10%010%0.095CC..EExtended strand (participates in β ladder)trans-126.6152.4168.500000111L159 L160 V161 G162 Y324 L357 L377L159-A330 HydrophobicContact CD1-CB 4.43Å; L160-A330 PolarHBondContact O-N 2.85Å; V161-A330 CarbonylContact C-O 3.53Å; V161-A330 VanDerWaalsContact CA-O 3.31Å; V161-A330 WeakPolarHBondContact CA-O 3.42Å; V161-A330 HydrophobicContact CG1-CB 4.26Å; V161-A330 HydrophobicContact CG2-CB 4.26Å; G162-A330 PolarHBondContact N-O 2.82Å; Y324-A330 CarbonylContact O-C 3.52Å; Y324-A330 WeakPolarHBondContact O-CA 3.4Å; A330-L357 HydrophobicContact CB-CD1 3.95Å; A330-L357 HydrophobicContact CB-CD2 3.91Å; A330-L377 HydrophobicContact CB-CD2 4.16Å
331L98.5Very high93Very high0 Ų019.9 Ų19.90%011%0.107CC..EExtended strand (participates in β ladder)trans-121.6136.9176.2-58.3176.9000108.8V170 R171 I176 A321 Y324 A336 Y380V170-L331 HydrophobicContact CB-CD2 4.31Å; V170-L331 HydrophobicContact CG1-CD2 4.02Å; R171-L331 HydrophobicContact CB-CD1 3.74Å; R171-L331 HydrophobicContact CB-CD2 3.9Å; R171-L331 HydrophobicContact CG-CD1 3.6Å; I176-L331 HydrophobicContact CD1-CD1 3.74Å; I176-L331 HydrophobicContact CD1-CG 4.33Å; I176-L331 HydrophobicContact CG2-CD1 4.28Å; A321-L331 HydrophobicContact CB-CD1 4.38Å; Y324-L331 PolarHBondContact O-N 3.14Å; L331-A336 HydrophobicContact CB-CB 3.78Å; L331-Y380 PolarHBondContact O-OH 2.9Å
332V98.3Very high92Very high1 Ų120.1 Ų20.11%0.00611%0.109CC..  trans-135.7143.1-179.9-63.10000111.4V2 V161 G162 A163 S335 D353 L357V2-V332 HydrophobicContact CG1-CB 4.13Å; V2-V332 HydrophobicContact CG1-CG2 3.77Å; V161-V332 HydrophobicContact CG1-CG1 4.07Å; V161-V332 HydrophobicContact CG1-CG2 3.95Å; G162-V332 PolarHBondContact O-N 3.17Å; G162-V332 VanDerWaalsContact O-N 3.13Å; A163-V332 HydrophobicContact CB-CG2 3.72Å; V332-S335 PolarHBondContact N-OG 3.36Å; V332-S335 VanDerWaalsContact N-OG 3.15Å; V332-S335 PolarHBondContact O-OG 3.19Å; V332-D353 HydrophobicContact CB-CB 4.06Å; V332-D353 HydrophobicContact CG1-CB 4.07Å; V332-L357 HydrophobicContact CG1-CD2 3.65Å
333G95.6Very high90.6Very high0 Ų019.3 Ų19.30%011%0.105CC..G310 helixtrans62.6-142.2-178.500000112.8S335 A336 H337 D353G333-S335 PolarHBondContact O-N 2.95Å; G333-A336 WeakPolarHBondContact O-CA 3.36Å; G333-A336 PolarHBondContact O-N 3.05Å; G333-H337 PolarHBondContact O-N 3.05Å; G333-D353 PolarHBondContact N-OD2 2.97Å
334D94.7Very high89.7Confident68 Ų6815.5 Ų15.536%0.36410%0.096SC..G310 helixtrans-55.8-19.8-175.4-77.428.4000114.9G165 F166 H337G165-D334 CarbonylContact C-O 3.58Å; F166-D334 VanDerWaalsContact CA-O 3.26Å; F166-D334 WeakPolarHBondContact CA-O 3.2Å; F166-D334 PolarHBondContact N-O 3.49Å; D334-H337 VanDerWaalsContact CA-O 3.27Å; D334-H337 WeakPolarHBondContact CA-O 3.49Å
335S96.2Very high88.7Confident1 Ų116.3 Ų16.31%0.00710%0.099CC..G310 helixtrans-70.5-32.4172.670.80000112.3G162 G165 R171 V332 G333G162-S335 WeakPolarHBondContact O-CB 3.44Å; G162-S335 PolarHBondContact O-OG 3.48Å; G165-S335 VanDerWaalsContact O-CA 3.28Å; G165-S335 WeakPolarHBondContact O-CA 3.23Å; R171-S335 WeakPolarHBondContact CD-O 3.22Å; R171-S335 PolarHBondContact NH1-O 3.45Å; V332-S335 PolarHBondContact N-OG 3.36Å; V332-S335 VanDerWaalsContact N-OG 3.15Å; V332-S335 PolarHBondContact O-OG 3.19Å; G333-S335 PolarHBondContact O-N 2.95Å
336A94.9Very high88.1Confident1 Ų117.2 Ų17.21%0.00811%0.11CC..THydrogen-bonded Turntrans-92.1-43.2176.800000111.7A321 Y324 L331 G333A321-A336 WeakPolarHBondContact CB-O 3.26Å; A321-A336 PolarHBondContact N-O 3.48Å; Y324-A336 HydrophobicContact CD1-CB 3.76Å; Y324-A336 HydrophobicContact CD2-CB 4.25Å; Y324-A336 HydrophobicContact CE1-CB 4.1Å; Y324-A336 HydrophobicContact CG-CB 3.87Å; L331-A336 HydrophobicContact CB-CB 3.78Å; G333-A336 WeakPolarHBondContact O-CA 3.36Å; G333-A336 PolarHBondContact O-N 3.05Å
337H92.5Very high88Confident2 Ų216.9 Ų16.91%0.00911%0.105CC..EExtended strand (participates in β ladder)trans-149.8127.5-175.853.883.1000111.3Q319 Y324 G333 D334 L349 D353 I388Q319-H337 CarbonylContact O-C 3.51Å; Q319-H337 WeakPolarHBondContact O-CA 3.31Å; Y324-H337 AromaticContact CZ-CD2 3.92Å; G333-H337 PolarHBondContact O-N 3.05Å; D334-H337 VanDerWaalsContact CA-O 3.27Å; D334-H337 WeakPolarHBondContact CA-O 3.49Å; H337-L349 VanDerWaalsContact CE1-CB 3.47Å; H337-L349 WeakPolarHBondContact CE1-CB 3.25Å; H337-D353 IonicContact CD2-OD2 3.71Å; H337-D353 IonicContact CE1-OD2 3.85Å; H337-D353 PolarHBondContact CE1-OD2 3.09Å; H337-D353 IonicContact NE2-OD1 2.65Å; H337-D353 IonicContact NE2-OD2 2.9Å; H337-D353 PolarHBondContact NE2-OD2 3.26Å; H337-I388 HydrophobicContact CB-CG2 3.79Å; H337-I388 WeakPolarHBondContact CD2-CD1 3.15Å; H337-I388 VanDerWaalsContact NE2-CD1 3.3Å; H337-I388 WeakPolarHBondContact NE2-CD1 3.12Å
338R92.1Very high87.9Confident38 Ų3814.9 Ų14.914%0.1439%0.093CC..EExtended strand (participates in β ladder)trans-115114.7171.3-176.4-170-177.6-176.6-1.8107.1F166 P315 G317 F318 Q319F166-R338 HydrophobicContact CB-CB 4.42Å; F166-R338 HydrophobicContact CB-CG 4.47Å; P315-R338 PolarHBondContact O-NH2 3.41Å; G317-R338 WeakPolarHBondContact O-CD 3.45Å; G317-R338 PolarHBondContact O-NE 3.11Å; F318-R338 WeakPolarHBondContact CA-O 3.48Å; F318-R338 WeakPolarHBondContact CD2-O 3.49Å; Q319-R338 HydrophobicContact CB-CB 4.12Å; Q319-R338 PolarHBondContact N-O 2.95Å; Q319-R338 PolarHBondContact O-N 2.92Å
339I87.9Confident87.7Confident19 Ų1914.1 Ų14.110%0.0979%0.09CC..  trans-112.2165.2179.459.1149.9000111F318 Q345 L349 A392 L395F318-I339 HydrophobicContact CE2-CG2 4.46Å; I339-Q345 HydrophobicContact CD1-CB 4.39Å; I339-L349 HydrophobicContact CD1-CD1 3.26Å; I339-L349 HydrophobicContact CG1-CD1 3.83Å; I339-A392 HydrophobicContact CG2-CB 3.96Å; I339-L395 HydrophobicContact CB-CD1 4.29Å; I339-L395 HydrophobicContact CD1-CD1 3.47Å; I339-L395 VanDerWaalsContact CD1-CD1 3.47Å; I339-L395 HydrophobicContact CG1-CD1 4.45Å
340L82.8Confident87.5Confident5 Ų514.1 Ų14.13%0.0269%0.09CC..  trans-61.4142173.1-73.1172.4000111.4L316 L342 E396 N399L316-L340 HydrophobicContact CB-CD2 4.3Å; L340-L342 PolarHBondContact O-N 3.32Å; L340-E396 WeakPolarHBondContact CD1-OE1 3.42Å; L340-E396 WeakPolarHBondContact CG-OE1 3.22Å; L340-N399 HydrophobicContact CD1-CB 3.36Å; L340-N399 WeakPolarHBondContact CD1-ND2 3.35Å
341P73Confident87.4Confident50 Ų5014.2 Ų14.233%0.3259%0.09SC..  trans-78.752.7-179.435.4-37.6000111.6L316L316-P341 HydrophobicContact CD2-CG 3.67Å
342L70.7Confident87.1Confident6 Ų615 Ų153%0.03110%0.099CC..SBendtrans-85.4132.9169.1-122.985.7000108.7F207 P212 F274 L340 G344 L395 I398F207-L342 HydrophobicContact CE1-CD1 4.33Å; F207-L342 HydrophobicContact CE1-CD2 4.07Å; F207-L342 HydrophobicContact CZ-CD2 3.97Å; P212-L342 HydrophobicContact CG-CD1 3.83Å; F274-L342 HydrophobicContact CD2-CD2 3.76Å; F274-L342 HydrophobicContact CE2-CD2 3.69Å; F274-L342 HydrophobicContact CE2-CG 4.23Å; L340-L342 PolarHBondContact O-N 3.32Å; L342-G344 PolarHBondContact O-N 3.28Å; L342-L395 HydrophobicContact CB-CD2 3.41Å; L342-L395 VanDerWaalsContact CB-CD2 3.41Å; L342-L395 HydrophobicContact CD2-CD2 3.76Å; L342-L395 HydrophobicContact CG-CD2 4.21Å; L342-I398 HydrophobicContact CD2-CB 4.32Å; L342-I398 HydrophobicContact CD2-CD1 4.33Å; L342-I398 HydrophobicContact CD2-CG2 3.67Å
343A60.9Low87.1Confident17 Ų1715 Ų1514%0.1410%0.099CC..THydrogen-bonded Turntrans56.214.4-178.500000115.9F274 V277 Q345F274-A343 HydrophobicContact CE2-CB 4.4Å; F274-A343 HydrophobicContact CZ-CB 4.24Å; V277-A343 HydrophobicContact CG1-CB 4.21Å; A343-Q345 HydrophobicContact CB-CG 4.25Å; A343-Q345 PolarHBondContact O-N 3.38Å; A343-Q345 PolarHBondContact O-NE2 3.46Å
344G73.3Confident87.2Confident26 Ų2615 Ų1527%0.26810%0.099SC..THydrogen-bonded Turntrans67.726.5173.400000115.8L342 G346L342-G344 PolarHBondContact O-N 3.28Å; G344-G346 PolarHBondContact O-N 3.41Å
345Q74.9Confident87.3Confident16 Ų1615 Ų158%0.07510%0.102CC..  trans-79.2-10-168.7-62.6-59-17.800116.5F281 I339 A343 V347 N348 L349F281-Q345 HydrophobicContact CD2-CG 4.47Å; F281-Q345 HydrophobicContact CE2-CB 4.25Å; F281-Q345 HydrophobicContact CE2-CG 4.31Å; F281-Q345 VanDerWaalsContact CE2-OE1 3.32Å; I339-Q345 HydrophobicContact CD1-CB 4.39Å; A343-Q345 HydrophobicContact CB-CG 4.25Å; A343-Q345 PolarHBondContact O-N 3.38Å; A343-Q345 PolarHBondContact O-NE2 3.46Å; Q345-V347 PolarHBondContact O-N 2.74Å; Q345-N348 WeakPolarHBondContact O-CB 3.4Å; Q345-N348 PolarHBondContact O-N 2.9Å; Q345-N348 PolarHBondContact OE1-ND2 2.92Å; Q345-L349 PolarHBondContact O-N 3.19Å
346G84.4Confident87.3Confident26 Ų2615.1 Ų15.127%0.26810%0.102SC..Hα-helixtrans-55.3-51.1-171.400000114G344 N348 L349 G350G344-G346 PolarHBondContact O-N 3.41Å; G346-N348 VanDerWaalsContact C-N 3.29Å; G346-N348 PolarHBondContact O-N 3.2Å; G346-L349 PolarHBondContact O-N 3.41Å; G346-G350 PolarHBondContact O-N 2.81Å; G346-G350 VanDerWaalsContact O-N 3.12Å
347V90.3Very high87.4Confident18 Ų1815.1 Ų15.111%0.10910%0.102CC..Hα-helixtrans-64-36.317872.80000112.1M1 V43 L45 Q345 L349 G350 F351M1-V347 HydrophobicContact SD-CB 4.5Å; M1-V347 HydrophobicContact SD-CG2 3.34Å; M1-V347 WeakPolarHBondContact SD-CG2 3.44Å; V43-V347 HydrophobicContact CB-CG1 3.85Å; V43-V347 HydrophobicContact CG1-CB 4.31Å; V43-V347 HydrophobicContact CG1-CG1 4.18Å; V43-V347 HydrophobicContact CG2-CG1 4.45Å; L45-V347 HydrophobicContact CD2-CG1 3.87Å; Q345-V347 PolarHBondContact O-N 2.74Å; V347-L349 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 2.7Å; V347-G350 CarbonylContact O-C 3.6Å; V347-G350 PolarHBondContact O-N 3.36Å; V347-F351 HydrophobicContact CG2-CD2 4.08Å; V347-F351 HydrophobicContact CG2-CE1 4.42Å; V347-F351 HydrophobicContact CG2-CE2 3.85Å; V347-F351 HydrophobicContact CG2-CG 4.47Å; V347-F351 HydrophobicContact CG2-CZ 4.04Å; V347-F351 PolarHBondContact O-N 3.19Å
348N92Very high87.7Confident3 Ų315.2 Ų15.22%0.01610%0.103CC..Hα-helixtrans-67.2-38.1-178.1-63.2-45.7000111.3A44 L45 N46 S49 F281 Q345 G346 G352A44-N348 PolarHBondContact O-ND2 2.81Å; A44-N348 PolarHBondContact O-OD1 2.94Å; L45-N348 WeakPolarHBondContact CA-OD1 3.36Å; N46-N348 PolarHBondContact N-OD1 3.15Å; N46-N348 WeakPolarHBondContact ND2-CB 3.49Å; N46-N348 PolarHBondContact ND2-ND2 3.28Å; S49-N348 WeakPolarHBondContact CB-OD1 3.24Å; S49-N348 PolarHBondContact OG-OD1 2.84Å; F281-N348 HydrophobicContact CE1-CB 4.41Å; F281-N348 HydrophobicContact CE2-CB 4.41Å; F281-N348 HydrophobicContact CZ-CB 4.15Å; Q345-N348 WeakPolarHBondContact O-CB 3.4Å; Q345-N348 PolarHBondContact O-N 2.9Å; Q345-N348 PolarHBondContact OE1-ND2 2.92Å; G346-N348 VanDerWaalsContact C-N 3.29Å; G346-N348 PolarHBondContact O-N 3.2Å; N348-G352 PolarHBondContact O-N 3.35Å
349L91.7Very high87.9Confident0 Ų017.4 Ų17.40%011%0.111CC..Hα-helixtrans-63.8-45172.1-66.6165.8000110.6F281 H337 I339 Q345 G346 V347 F351 G352 D353 R384 I388 L391F281-L349 HydrophobicContact CE1-CD2 4.41Å; F281-L349 HydrophobicContact CE2-CD2 3.9Å; F281-L349 HydrophobicContact CE2-CG 4.21Å; F281-L349 HydrophobicContact CZ-CD2 3.35Å; F281-L349 HydrophobicContact CZ-CG 3.78Å; H337-L349 VanDerWaalsContact CE1-CB 3.47Å; H337-L349 WeakPolarHBondContact CE1-CB 3.25Å; I339-L349 HydrophobicContact CD1-CD1 3.26Å; I339-L349 HydrophobicContact CG1-CD1 3.83Å; Q345-L349 PolarHBondContact O-N 3.19Å; G346-L349 PolarHBondContact O-N 3.41Å; V347-L349 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 2.7Å; L349-F351 PolarHBondContact O-N 3.49Å; L349-G352 CarbonylContact O-C 3.45Å; L349-G352 PolarHBondContact O-N 3.32Å; L349-D353 PolarHBondContact O-N 3Å; L349-R384 PolarHBondContact O-NH2 2.87Å; L349-I388 HydrophobicContact CD2-CG1 3.71Å; L349-L391 HydrophobicContact CD1-CD2 3.95Å; L349-L391 HydrophobicContact CD2-CD2 3.61Å; L349-L391 HydrophobicContact CG-CD2 4.21Å
350G94.3Very high88.4Confident0 Ų017 Ų170%011%0.109CC..Hα-helixtrans-61.4-40.6176.900000113.6G346 V347 D353 V354G346-G350 PolarHBondContact O-N 2.81Å; G346-G350 VanDerWaalsContact O-N 3.12Å; V347-G350 CarbonylContact O-C 3.6Å; V347-G350 PolarHBondContact O-N 3.36Å; G350-D353 WeakPolarHBondContact O-CB 3.49Å; G350-D353 PolarHBondContact O-N 2.67Å; G350-V354 WeakPolarHBondContact O-CG2 3.46Å; G350-V354 PolarHBondContact O-N 3.03Å; G350-V354 VanDerWaalsContact O-N 3.09Å
351F95.5Very high89.1Confident1 Ų117.2 Ų17.20%0.00411%0.11CC..Hα-helixtrans-70.1-35.7172.9-76.3-16000112.6M1 L45 M52 L53 V100 L104 V347 L349 D353 V354 V355M1-F351 HydrophobicContact CG-CE1 4.28Å; M1-F351 HydrophobicContact CG-CZ 3.93Å; M1-F351 HydrophobicContact SD-CE2 4.5Å; M1-F351 HydrophobicContact SD-CZ 3.94Å; L45-F351 HydrophobicContact CD2-CD2 4.39Å; L45-F351 HydrophobicContact CD2-CE2 4.02Å; M52-F351 HydrophobicContact CE-CB 4.45Å; M52-F351 HydrophobicContact CE-CD1 3.9Å; M52-F351 HydrophobicContact CE-CE1 4.34Å; M52-F351 HydrophobicContact CE-CG 4.18Å; M52-F351 HydrophobicContact SD-CB 3.65Å; M52-F351 HydrophobicContact SD-CD1 4.2Å; M52-F351 HydrophobicContact SD-CD2 4.41Å; M52-F351 HydrophobicContact SD-CG 3.86Å; L53-F351 HydrophobicContact CD1-CE2 4.49Å; V100-F351 HydrophobicContact CG1-CE2 4.46Å; V100-F351 HydrophobicContact CG1-CZ 4.1Å; L104-F351 HydrophobicContact CD1-CZ 4.34Å; V347-F351 HydrophobicContact CG2-CD2 4.08Å; V347-F351 HydrophobicContact CG2-CE1 4.42Å; V347-F351 HydrophobicContact CG2-CE2 3.85Å; V347-F351 HydrophobicContact CG2-CG 4.47Å; V347-F351 HydrophobicContact CG2-CZ 4.04Å; V347-F351 PolarHBondContact O-N 3.19Å; L349-F351 PolarHBondContact O-N 3.49Å; F351-D353 VanDerWaalsContact C-N 3.26Å; F351-D353 PolarHBondContact O-N 2.99Å; F351-V354 WeakPolarHBondContact O-CB 3.46Å; F351-V354 PolarHBondContact O-N 2.77Å; F351-V355 WeakPolarHBondContact O-CG2 3.28Å; F351-V355 PolarHBondContact O-N 2.85Å
352G93.9Very high90.1Very high18 Ų1817.3 Ų17.319%0.18611%0.106CC..Hα-helixtrans-60.9-36.1170.400000112.7N348 L349 S356N348-G352 PolarHBondContact O-N 3.35Å; L349-G352 CarbonylContact O-C 3.45Å; L349-G352 PolarHBondContact O-N 3.32Å; G352-S356 WeakPolarHBondContact O-CB 3.38Å; G352-S356 PolarHBondContact O-N 2.97Å
353D97Very high91.3Very high0 Ų020.2 Ų20.20%012%0.119CC..Hα-helixtrans-65-43.9173.2-60.7-19.2000111.4V332 G333 H337 L349 G350 F351 V355 S356 L357 Y380 R384 I388V332-D353 HydrophobicContact CB-CB 4.06Å; V332-D353 HydrophobicContact CG1-CB 4.07Å; G333-D353 PolarHBondContact N-OD2 2.97Å; H337-D353 IonicContact CD2-OD2 3.71Å; H337-D353 IonicContact CE1-OD2 3.85Å; H337-D353 PolarHBondContact CE1-OD2 3.09Å; H337-D353 IonicContact NE2-OD1 2.65Å; H337-D353 IonicContact NE2-OD2 2.9Å; H337-D353 PolarHBondContact NE2-OD2 3.26Å; L349-D353 PolarHBondContact O-N 3Å; G350-D353 WeakPolarHBondContact O-CB 3.49Å; G350-D353 PolarHBondContact O-N 2.67Å; F351-D353 VanDerWaalsContact C-N 3.26Å; F351-D353 PolarHBondContact O-N 2.99Å; D353-V355 PolarHBondContact O-N 2.83Å; D353-S356 PolarHBondContact O-N 2.77Å; D353-L357 WeakPolarHBondContact O-CB 3.22Å; D353-L357 PolarHBondContact O-N 3.15Å; D353-Y380 HydrophobicContact CB-CE2 4.2Å; D353-Y380 WeakPolarHBondContact CB-OH 3.24Å; D353-Y380 WeakPolarHBondContact O-CE2 3.26Å; D353-R384 IonicContact OD1-CZ 3.26Å; D353-R384 IonicContact OD1-NE 2.58Å; D353-R384 PolarHBondContact OD1-NE 3.14Å; D353-R384 IonicContact OD1-NH2 3.72Å; D353-R384 PolarHBondContact OD1-NH2 2.77Å; D353-R384 VanDerWaalsContact OD1-NH2 3.1Å; D353-I388 WeakPolarHBondContact OD1-CD1 3.38Å
354V97.9Very high93Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-57.1-50.5177.1165.40000111.1V2 L6 V9 M52 G350 F351 S356 L357 V358V2-V354 HydrophobicContact CG1-CG2 3.77Å; L6-V354 HydrophobicContact CB-CG1 4.24Å; L6-V354 HydrophobicContact CB-CG2 3.84Å; L6-V354 HydrophobicContact CD1-CB 4.48Å; L6-V354 HydrophobicContact CD1-CG1 4.01Å; L6-V354 HydrophobicContact CD1-CG2 4.32Å; V9-V354 HydrophobicContact CB-CG1 3.92Å; V9-V354 HydrophobicContact CG1-CG1 4.4Å; V9-V354 HydrophobicContact CG2-CG1 3.99Å; M52-V354 HydrophobicContact CE-CB 4.29Å; M52-V354 HydrophobicContact CE-CG1 3.76Å; G350-V354 WeakPolarHBondContact O-CG2 3.46Å; G350-V354 PolarHBondContact O-N 3.03Å; G350-V354 VanDerWaalsContact O-N 3.09Å; F351-V354 WeakPolarHBondContact O-CB 3.46Å; F351-V354 PolarHBondContact O-N 2.77Å; V354-S356 PolarHBondContact O-N 2.97Å; V354-L357 PolarHBondContact O-N 3.2Å; V354-V358 WeakPolarHBondContact O-CB 3.24Å; V354-V358 WeakPolarHBondContact O-CG2 3.07Å; V354-V358 PolarHBondContact O-N 3.35Å
355V96.5Very high94Very high69 Ų6919.9 Ų19.942%0.41811%0.11SC..Hα-helixtrans-61.6-45.4-179.3173.20000110.9M52 F351 D353 R359M52-V355 HydrophobicContact CB-CG2 4.09Å; M52-V355 HydrophobicContact CG-CG2 3.8Å; M52-V355 HydrophobicContact SD-CG2 3.71Å; F351-V355 WeakPolarHBondContact O-CG2 3.28Å; F351-V355 PolarHBondContact O-N 2.85Å; D353-V355 PolarHBondContact O-N 2.83Å; V355-R359 WeakPolarHBondContact O-CB 3.41Å; V355-R359 PolarHBondContact O-N 3.23Å; V355-R359 VanDerWaalsContact O-N 3.09Å
356S96.4Very high94.9Very high3 Ų325.9 Ų25.92%0.02114%0.136CC..Hα-helixtrans-67.2-42.9179.4-173.50000112.4G352 D353 V354 R359 H360 E383 R384G352-S356 WeakPolarHBondContact O-CB 3.38Å; G352-S356 PolarHBondContact O-N 2.97Å; D353-S356 PolarHBondContact O-N 2.77Å; V354-S356 PolarHBondContact O-N 2.97Å; S356-R359 PolarHBondContact O-N 3.44Å; S356-H360 PolarHBondContact O-N 3.36Å; S356-H360 VanDerWaalsContact O-N 3.1Å; S356-H360 PolarHBondContact O-ND1 3.4Å; S356-E383 WeakPolarHBondContact CB-OE1 3.28Å; S356-E383 VanDerWaalsContact OG-CD 3.28Å; S356-E383 PolarHBondContact OG-OE1 3.17Å; S356-R384 VanDerWaalsContact CB-CD 3.44Å
357L98.3Very high95.4Very high0 Ų030.2 Ų30.20%015%0.149CC..Hα-helixtrans-61.7-51.6178177.759.4000110.1L6 V161 A330 V332 D353 V354 R359 H360 L361 L377 Y380L6-L357 HydrophobicContact CD1-CD2 4.18Å; L6-L357 HydrophobicContact CD2-CD2 4.4Å; V161-L357 HydrophobicContact CG1-CD2 3.97Å; V161-L357 HydrophobicContact CG2-CD2 4.25Å; A330-L357 HydrophobicContact CB-CD1 3.95Å; A330-L357 HydrophobicContact CB-CD2 3.91Å; V332-L357 HydrophobicContact CG1-CD2 3.65Å; D353-L357 WeakPolarHBondContact O-CB 3.22Å; D353-L357 PolarHBondContact O-N 3.15Å; V354-L357 PolarHBondContact O-N 3.2Å; L357-R359 VanDerWaalsContact C-N 3.29Å; L357-R359 PolarHBondContact O-N 3.33Å; L357-H360 PolarHBondContact O-N 2.74Å; L357-L361 HydrophobicContact CD1-CD1 4.07Å; L357-L361 HydrophobicContact CD1-CD2 4.36Å; L357-L361 HydrophobicContact CD1-CG 4Å; L357-L361 HydrophobicContact CG-CD1 3.94Å; L357-L361 HydrophobicContact CG-CG 4.28Å; L357-L361 VanDerWaalsContact O-CG 3.25Å; L357-L361 WeakPolarHBondContact O-CG 3.23Å; L357-L361 PolarHBondContact O-N 3.12Å; L357-L377 HydrophobicContact CD1-CD2 3.93Å; L357-Y380 HydrophobicContact CB-CD2 3.8Å; L357-Y380 HydrophobicContact CB-CE2 3.74Å; L357-Y380 HydrophobicContact CB-CG 4.32Å; L357-Y380 HydrophobicContact CD1-CD1 4.01Å; L357-Y380 HydrophobicContact CD1-CD2 4.37Å; L357-Y380 HydrophobicContact CD1-CE1 4.36Å; L357-Y380 HydrophobicContact CD1-CG 4.02Å
358V97.6Very high95.6Very high5 Ų532.7 Ų32.73%0.0318%0.178CC..Hα-helixtrans-57.4-44.6179.7168.40000110.9L6 V9 A10 L16 V354 H360 L361 E362L6-V358 HydrophobicContact CD1-CG2 3.76Å; V9-V358 HydrophobicContact CB-CG2 4.32Å; V9-V358 HydrophobicContact CG1-CB 4.01Å; V9-V358 HydrophobicContact CG1-CG1 3.95Å; V9-V358 HydrophobicContact CG1-CG2 3.9Å; A10-V358 HydrophobicContact CB-CG2 4.19Å; L16-V358 HydrophobicContact CD1-CB 4.39Å; L16-V358 HydrophobicContact CD1-CG1 3.85Å; L16-V358 HydrophobicContact CD1-CG2 4.35Å; V354-V358 WeakPolarHBondContact O-CB 3.24Å; V354-V358 WeakPolarHBondContact O-CG2 3.07Å; V354-V358 PolarHBondContact O-N 3.35Å; V358-H360 PolarHBondContact O-N 2.78Å; V358-L361 WeakPolarHBondContact O-CB 3.1Å; V358-L361 PolarHBondContact O-N 3.47Å; V358-E362 HydrophobicContact CG1-CG 4.24Å; V358-E362 WeakPolarHBondContact O-CG 3.16Å; V358-E362 PolarHBondContact O-N 3.25Å
359R96.7Very high95.6Very high84 Ų8434 Ų3432%0.31719%0.189SC..Hα-helixtrans-59.6-46.8178-176.1175.153.970.22.7112.9V355 S356 L357 L361 E362 E363 E383V355-R359 WeakPolarHBondContact O-CB 3.41Å; V355-R359 PolarHBondContact O-N 3.23Å; V355-R359 VanDerWaalsContact O-N 3.09Å; S356-R359 PolarHBondContact O-N 3.44Å; L357-R359 VanDerWaalsContact C-N 3.29Å; L357-R359 PolarHBondContact O-N 3.33Å; R359-L361 VanDerWaalsContact C-N 3.29Å; R359-L361 PolarHBondContact O-N 3.3Å; R359-E362 WeakPolarHBondContact O-CB 3.49Å; R359-E362 PolarHBondContact O-N 3.3Å; R359-E363 IonicContact CZ-OE1 3.34Å; R359-E363 IonicContact NH1-OE1 3.66Å; R359-E363 PolarHBondContact NH1-OE1 3.25Å; R359-E363 WeakPolarHBondContact O-CG 3.39Å; R359-E363 PolarHBondContact O-N 3.3Å; R359-E383 IonicContact CZ-OE2 2.98Å; R359-E383 IonicContact NH2-OE1 3.99Å; R359-E383 PolarHBondContact NH2-OE1 2.98Å; R359-E383 IonicContact NH2-OE2 3.32Å; R359-E383 PolarHBondContact NH2-OE2 3.25Å
360H97.6Very high95.6Very high11 Ų1137 Ų375%0.05121%0.205CC..Hα-helixtrans-67.9-30.3177.9-68.897.9000112.5S356 L357 V358 E363 A364 E383S356-H360 PolarHBondContact O-N 3.36Å; S356-H360 VanDerWaalsContact O-N 3.1Å; S356-H360 PolarHBondContact O-ND1 3.4Å; L357-H360 PolarHBondContact O-N 2.74Å; V358-H360 PolarHBondContact O-N 2.78Å; H360-E363 IonicContact CD2-OE2 3.31Å; H360-A364 WeakPolarHBondContact O-CB 3.38Å; H360-A364 PolarHBondContact O-N 2.96Å; H360-E383 IonicContact CE1-OE2 2.73Å; H360-E383 PolarHBondContact CE1-OE2 3.01Å; H360-E383 VanDerWaalsContact CE1-OE2 3.26Å; H360-E383 IonicContact NE2-OE2 2.66Å
361L97.6Very high95.6Very high9 Ų938.1 Ų38.15%0.04721%0.211CC..Hα-helixtrans-69.7-37.1172.1-66.6179.6000111.9L16 L159 L357 V358 R359 A364 V365 I371 L377L16-L361 HydrophobicContact CD1-CB 3.82Å; L16-L361 HydrophobicContact CD1-CD1 4.16Å; L16-L361 HydrophobicContact CD2-CB 4.02Å; L16-L361 HydrophobicContact CG-CB 4.46Å; L159-L361 HydrophobicContact CD2-CD1 3.68Å; L159-L361 HydrophobicContact CD2-CD2 3.73Å; L159-L361 HydrophobicContact CD2-CG 4.37Å; L357-L361 HydrophobicContact CD1-CD1 4.07Å; L357-L361 HydrophobicContact CD1-CD2 4.36Å; L357-L361 HydrophobicContact CD1-CG 4Å; L357-L361 HydrophobicContact CG-CD1 3.94Å; L357-L361 HydrophobicContact CG-CG 4.28Å; L357-L361 VanDerWaalsContact O-CG 3.25Å; L357-L361 WeakPolarHBondContact O-CG 3.23Å; L357-L361 PolarHBondContact O-N 3.12Å; V358-L361 WeakPolarHBondContact O-CB 3.1Å; V358-L361 PolarHBondContact O-N 3.47Å; R359-L361 VanDerWaalsContact C-N 3.29Å; R359-L361 PolarHBondContact O-N 3.3Å; L361-A364 WeakPolarHBondContact O-CB 3.48Å; L361-A364 PolarHBondContact O-N 3.41Å; L361-V365 WeakPolarHBondContact O-CG2 3.24Å; L361-V365 PolarHBondContact O-N 3.13Å; L361-I371 HydrophobicContact CD2-CB 4.16Å; L361-I371 WeakPolarHBondContact CD2-O 3.46Å; L361-L377 HydrophobicContact CD2-CD2 4.08Å
362E95.6Very high95.6Very high52 Ų5238.2 Ų38.224%0.24321%0.213CC..Hα-helixtrans-62.6-45.8172.3-71.6-179.4140.700111.3S13 F15 L16 V358 R359 A364 V365 F366S13-E362 WeakPolarHBondContact CB-OE1 3.23Å; S13-E362 VanDerWaalsContact OG-CD 3.3Å; S13-E362 VanDerWaalsContact OG-CG 3.28Å; S13-E362 WeakPolarHBondContact OG-CG 3.34Å; S13-E362 PolarHBondContact OG-OE1 2.72Å; F15-E362 HydrophobicContact CB-CG 4.31Å; F15-E362 HydrophobicContact CD2-CB 3.91Å; F15-E362 HydrophobicContact CD2-CG 4Å; L16-E362 HydrophobicContact CG-CG 4.35Å; V358-E362 HydrophobicContact CG1-CG 4.24Å; V358-E362 WeakPolarHBondContact O-CG 3.16Å; V358-E362 PolarHBondContact O-N 3.25Å; R359-E362 WeakPolarHBondContact O-CB 3.49Å; R359-E362 PolarHBondContact O-N 3.3Å; E362-A364 VanDerWaalsContact C-N 3.31Å; E362-A364 PolarHBondContact O-N 2.74Å; E362-V365 PolarHBondContact O-N 3.28Å; E362-F366 WeakPolarHBondContact O-CB 3.42Å; E362-F366 PolarHBondContact O-N 3.38Å
363E95.6Very high95.5Very high66 Ų6639.1 Ų39.131%0.30822%0.216SC..Hα-helixtrans-58.7-43.1174.6-70.9169.2-16300111.3R359 H360 V365 F366 H367 Y376R359-E363 IonicContact CZ-OE1 3.34Å; R359-E363 IonicContact NH1-OE1 3.66Å; R359-E363 PolarHBondContact NH1-OE1 3.25Å; R359-E363 WeakPolarHBondContact O-CG 3.39Å; R359-E363 PolarHBondContact O-N 3.3Å; H360-E363 IonicContact CD2-OE2 3.31Å; E363-V365 PolarHBondContact O-N 3.43Å; E363-F366 PolarHBondContact O-N 3.29Å; E363-H367 VanDerWaalsContact O-CG 3.31Å; E363-H367 PolarHBondContact O-N 3.25Å; E363-H367 PolarHBondContact O-ND1 2.88Å; E363-Y376 HydrophobicContact CB-CD1 4.29Å; E363-Y376 HydrophobicContact CB-CE1 4.2Å
364A95.5Very high95.4Very high0 Ų041.6 Ų41.60%023%0.229CC..Hα-helixtrans-58.6-49.3175.500000111.8H360 L361 E362 F366 H367 G368 A369 Y376H360-A364 WeakPolarHBondContact O-CB 3.38Å; H360-A364 PolarHBondContact O-N 2.96Å; L361-A364 WeakPolarHBondContact O-CB 3.48Å; L361-A364 PolarHBondContact O-N 3.41Å; E362-A364 VanDerWaalsContact C-N 3.31Å; E362-A364 PolarHBondContact O-N 2.74Å; A364-F366 PolarHBondContact O-N 2.91Å; A364-H367 PolarHBondContact O-N 3.27Å; A364-G368 PolarHBondContact O-N 3.19Å; A364-A369 HydrophobicContact CB-CB 4.32Å; A364-A369 WeakPolarHBondContact O-CA 3.18Å; A364-A369 WeakPolarHBondContact O-CB 3.28Å; A364-A369 PolarHBondContact O-N 2.84Å; A364-Y376 HydrophobicContact CB-CD1 3.81Å; A364-Y376 HydrophobicContact CB-CD2 3.62Å; A364-Y376 HydrophobicContact CB-CE1 4.19Å; A364-Y376 HydrophobicContact CB-CE2 4.03Å; A364-Y376 HydrophobicContact CB-CG 3.52Å
365V95.3Very high95.2Very high36 Ų3644.3 Ų44.322%0.21825%0.251CS..Hα-helixtrans-64.5-41.2178.9174.60000111.3F15 L16 L361 E362 E363 H367 G368 I371F15-V365 HydrophobicContact CB-CB 4.22Å; F15-V365 HydrophobicContact CB-CG1 4Å; F15-V365 HydrophobicContact CD1-CG1 4.27Å; L16-V365 HydrophobicContact CD2-CG2 4.03Å; L361-V365 WeakPolarHBondContact O-CG2 3.24Å; L361-V365 PolarHBondContact O-N 3.13Å; E362-V365 PolarHBondContact O-N 3.28Å; E363-V365 PolarHBondContact O-N 3.43Å; V365-H367 VanDerWaalsContact C-N 3.3Å; V365-H367 PolarHBondContact O-N 3.14Å; V365-G368 PolarHBondContact O-N 3.19Å; V365-I371 HydrophobicContact CG2-CG2 3.46Å; V365-I371 VanDerWaalsContact CG2-CG2 3.46Å
366F93.8Very high95.1Very high142 Ų14243 Ų4362%0.62324%0.239SC*.Hα-helixtrans-61.5-38.8178.4-178.8-103000112.1F15 E362 E363 A364 G368F15-F366 HydrophobicContact CE1-CB 4.43Å; F15-F366 AromaticContact CE1-CD2 3.96Å; F15-F366 HydrophobicContact CE1-CD2 3.96Å; F15-F366 HydrophobicContact CZ-CB 4.43Å; F15-F366 AromaticContact CZ-CD2 3.81Å; F15-F366 HydrophobicContact CZ-CD2 3.81Å; E362-F366 WeakPolarHBondContact O-CB 3.42Å; E362-F366 PolarHBondContact O-N 3.38Å; E363-F366 PolarHBondContact O-N 3.29Å; A364-F366 PolarHBondContact O-N 2.91Å; F366-G368 PolarHBondContact O-N 2.93Å
367H95Very high95.2Very high117 Ų11742.9 Ų42.954%0.54224%0.239SC..THydrogen-bonded Turntrans-81.14.6174.5-60.6150.2000114.2E363 A364 V365 A369 Y376E363-H367 VanDerWaalsContact O-CG 3.31Å; E363-H367 PolarHBondContact O-N 3.25Å; E363-H367 PolarHBondContact O-ND1 2.88Å; A364-H367 PolarHBondContact O-N 3.27Å; V365-H367 VanDerWaalsContact C-N 3.3Å; V365-H367 PolarHBondContact O-N 3.14Å; H367-A369 VanDerWaalsContact C-N 3.25Å; H367-A369 PolarHBondContact O-N 3.01Å; H367-Y376 VanDerWaalsContact CB-OH 3.23Å; H367-Y376 WeakPolarHBondContact CB-OH 3.27Å; H367-Y376 AromaticContact ND1-CE1 3.6Å; H367-Y376 AromaticContact ND1-CZ 3.63Å; H367-Y376 PolarHBondContact ND1-OH 2.83Å
368G93.1Very high95Very high70 Ų7047.8 Ų47.872%0.72226%0.26SS*.THydrogen-bonded Turntrans72.713.9-179.100000114.6A364 V365 F366A364-G368 PolarHBondContact O-N 3.19Å; V365-G368 PolarHBondContact O-N 3.19Å; F366-G368 PolarHBondContact O-N 2.93Å
369A92.7Very high94.9Very high30 Ų3051.2 Ų51.225%0.24828%0.278CS..  trans-81.6156.5175.200000111.8A364 H367 Y376A364-A369 HydrophobicContact CB-CB 4.32Å; A364-A369 WeakPolarHBondContact O-CA 3.18Å; A364-A369 WeakPolarHBondContact O-CB 3.28Å; A364-A369 PolarHBondContact O-N 2.84Å; H367-A369 VanDerWaalsContact C-N 3.25Å; H367-A369 PolarHBondContact O-N 3.01Å; A369-Y376 HydrophobicContact CB-CD2 4.11Å; A369-Y376 HydrophobicContact CB-CE2 3.45Å; A369-Y376 VanDerWaalsContact CB-CE2 3.45Å
370N92.7Very high94.9Very high63 Ų6347.2 Ų47.234%0.33726%0.263SS..  trans-68.3140.5171.5-171.5-75.6000110.4D158 R328 G372 S373D158-N370 PolarHBondContact OD1-ND2 3.46Å; R328-N370 PolarHBondContact NH1-OD1 3.34Å; R328-N370 VanDerWaalsContact NH1-OD1 3.11Å; N370-G372 PolarHBondContact O-N 2.76Å; N370-G372 WeakPolarHBondContact OD1-CA 3.37Å; N370-G372 PolarHBondContact OD1-N 2.96Å; N370-S373 WeakPolarHBondContact O-CB 3.34Å; N370-S373 PolarHBondContact O-N 3.1Å
371I94.2Very high94.7Very high24 Ų2446.7 Ų46.712%0.12326%0.261CS..THydrogen-bonded Turntrans-63-23.6179.256.6170.7000113.5L16 D158 L159 L361 V365 S373L16-I371 HydrophobicContact CD2-CG2 4.15Å; D158-I371 HydrophobicContact CB-CD1 3.94Å; D158-I371 HydrophobicContact CB-CG1 3.78Å; L159-I371 HydrophobicContact CB-CD1 3.99Å; L159-I371 HydrophobicContact CB-CG1 4.1Å; L361-I371 HydrophobicContact CD2-CB 4.16Å; L361-I371 WeakPolarHBondContact CD2-O 3.46Å; V365-I371 HydrophobicContact CG2-CG2 3.46Å; V365-I371 VanDerWaalsContact CG2-CG2 3.46Å; I371-S373 VanDerWaalsContact C-N 3.28Å
372G94Very high94.5Very high3 Ų349.6 Ų49.63%0.03128%0.276CS..THydrogen-bonded Turntrans-85.55.9172.900000114.4R328 N370 L374R328-G372 PolarHBondContact N-O 2.99Å; N370-G372 PolarHBondContact O-N 2.76Å; N370-G372 WeakPolarHBondContact OD1-CA 3.37Å; N370-G372 PolarHBondContact OD1-N 2.96Å; G372-L374 PolarHBondContact O-N 2.82Å
373S93.4Very high94.2Very high38 Ų3849.9 Ų49.927%0.26628%0.277SS..  trans-62.5122.7-1801770000111.4N370 I371 A375 Y376 L377N370-S373 WeakPolarHBondContact O-CB 3.34Å; N370-S373 PolarHBondContact O-N 3.1Å; I371-S373 VanDerWaalsContact C-N 3.28Å; S373-A375 PolarHBondContact O-N 2.99Å; S373-A375 VanDerWaalsContact O-N 3.16Å; S373-Y376 PolarHBondContact O-N 3.11Å; S373-L377 WeakPolarHBondContact O-CG 3.33Å; S373-L377 PolarHBondContact O-N 2.77Å
374L93.2Very high94.1Very high52 Ų5247.4 Ų47.427%0.27227%0.265SS..Hα-helixtrans-61.5-25.3-179.2-177.559.5000113G372 K378G372-L374 PolarHBondContact O-N 2.82Å; L374-K378 HydrophobicContact CD1-CD 4.35Å; L374-K378 HydrophobicContact CD1-CG 3.98Å; L374-K378 HydrophobicContact CG-CD 4.02Å; L374-K378 HydrophobicContact CG-CG 4.16Å; L374-K378 VanDerWaalsContact O-CB 3.31Å; L374-K378 WeakPolarHBondContact O-CB 3.45Å; L374-K378 VanDerWaalsContact O-CG 3.23Å; L374-K378 WeakPolarHBondContact O-CG 3.3Å; L374-K378 PolarHBondContact O-N 2.9Å
375A93.8Very high93.8Very high56 Ų5647.8 Ų47.846%0.46327%0.267SS..Hα-helixtrans-61.2-55.217900000111.4S373 L377 K378 D379S373-A375 PolarHBondContact O-N 2.99Å; S373-A375 VanDerWaalsContact O-N 3.16Å; A375-L377 PolarHBondContact O-N 3.37Å; A375-K378 WeakPolarHBondContact O-CB 3.14Å; A375-K378 PolarHBondContact O-N 2.94Å; A375-D379 PolarHBondContact O-N 2.72Å
376Y95.8Very high93.4Very high42 Ų4252.8 Ų52.817%0.16528%0.282CS..Hα-helixtrans-68.6-35179.5-65.5-88.3000112.6E363 A364 H367 A369 S373 K378 D379 Y380E363-Y376 HydrophobicContact CB-CD1 4.29Å; E363-Y376 HydrophobicContact CB-CE1 4.2Å; A364-Y376 HydrophobicContact CB-CD1 3.81Å; A364-Y376 HydrophobicContact CB-CD2 3.62Å; A364-Y376 HydrophobicContact CB-CE1 4.19Å; A364-Y376 HydrophobicContact CB-CE2 4.03Å; A364-Y376 HydrophobicContact CB-CG 3.52Å; H367-Y376 VanDerWaalsContact CB-OH 3.23Å; H367-Y376 WeakPolarHBondContact CB-OH 3.27Å; H367-Y376 AromaticContact ND1-CE1 3.6Å; H367-Y376 AromaticContact ND1-CZ 3.63Å; H367-Y376 PolarHBondContact ND1-OH 2.83Å; A369-Y376 HydrophobicContact CB-CD2 4.11Å; A369-Y376 HydrophobicContact CB-CE2 3.45Å; A369-Y376 VanDerWaalsContact CB-CE2 3.45Å; S373-Y376 PolarHBondContact O-N 3.11Å; Y376-K378 VanDerWaalsContact C-N 3.3Å; Y376-K378 PolarHBondContact O-N 2.8Å; Y376-D379 PolarHBondContact O-N 3.35Å; Y376-Y380 PolarHBondContact O-N 3.12Å
377L97Very high92.9Very high1 Ų147.7 Ų47.71%0.00526%0.261CS..Hα-helixtrans-67.3-32176.1-65.6178.1000112.5L159 S325 A326 A330 L357 L361 S373 A375 Y380 T381L159-L377 HydrophobicContact CD1-CD1 4.12Å; L159-L377 HydrophobicContact CD1-CD2 4.29Å; S325-L377 PolarHBondContact OG-O 2.8Å; S325-L377 VanDerWaalsContact OG-O 3.09Å; A326-L377 WeakPolarHBondContact O-CD1 3.46Å; A330-L377 HydrophobicContact CB-CD2 4.16Å; L357-L377 HydrophobicContact CD1-CD2 3.93Å; L361-L377 HydrophobicContact CD2-CD2 4.08Å; S373-L377 WeakPolarHBondContact O-CG 3.33Å; S373-L377 PolarHBondContact O-N 2.77Å; A375-L377 PolarHBondContact O-N 3.37Å; L377-Y380 WeakPolarHBondContact O-CB 3.11Å; L377-T381 PolarHBondContact O-N 3.08Å; L377-T381 PolarHBondContact O-OG1 2.53Å; L377-T381 VanDerWaalsContact O-OG1 3.13Å
378K95.1Very high92.5Very high103 Ų10342.1 Ų42.145%0.44824%0.235SC..Hα-helixtrans-67.9-37.9171.1-81.4174174.8176.90111.8L374 A375 Y376 T381 N382L374-K378 HydrophobicContact CD1-CD 4.35Å; L374-K378 HydrophobicContact CD1-CG 3.98Å; L374-K378 HydrophobicContact CG-CD 4.02Å; L374-K378 HydrophobicContact CG-CG 4.16Å; L374-K378 VanDerWaalsContact O-CB 3.31Å; L374-K378 WeakPolarHBondContact O-CB 3.45Å; L374-K378 VanDerWaalsContact O-CG 3.23Å; L374-K378 WeakPolarHBondContact O-CG 3.3Å; L374-K378 PolarHBondContact O-N 2.9Å; A375-K378 WeakPolarHBondContact O-CB 3.14Å; A375-K378 PolarHBondContact O-N 2.94Å; Y376-K378 VanDerWaalsContact C-N 3.3Å; Y376-K378 PolarHBondContact O-N 2.8Å; K378-T381 WeakPolarHBondContact O-CB 3.27Å; K378-T381 PolarHBondContact O-N 3.36Å; K378-N382 WeakPolarHBondContact O-CB 3.25Å; K378-N382 PolarHBondContact O-N 3.24Å; K378-N382 PolarHBondContact O-ND2 3.07Å
379D95.6Very high92.2Very high77 Ų7739 Ų3941%0.41220%0.202SC..Hα-helixtrans-63.6-43.6176.5-65.7-28.9000111.3A375 Y376 T381 N382 E383A375-D379 PolarHBondContact O-N 2.72Å; Y376-D379 PolarHBondContact O-N 3.35Å; D379-T381 PolarHBondContact O-N 2.92Å; D379-N382 PolarHBondContact O-N 3.24Å; D379-E383 WeakPolarHBondContact O-CB 3.18Å; D379-E383 PolarHBondContact O-N 2.76Å
380Y96.3Very high91.6Very high0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-54.1-51.5167.6159.3-107.9000112.3Y324 L331 D353 L357 Y376 L377 N382 E383 R384Y324-Y380 HydrophobicContact CD2-CE1 4.46Å; L331-Y380 PolarHBondContact O-OH 2.9Å; D353-Y380 HydrophobicContact CB-CE2 4.2Å; D353-Y380 WeakPolarHBondContact CB-OH 3.24Å; D353-Y380 WeakPolarHBondContact O-CE2 3.26Å; L357-Y380 HydrophobicContact CB-CD2 3.8Å; L357-Y380 HydrophobicContact CB-CE2 3.74Å; L357-Y380 HydrophobicContact CB-CG 4.32Å; L357-Y380 HydrophobicContact CD1-CD1 4.01Å; L357-Y380 HydrophobicContact CD1-CD2 4.37Å; L357-Y380 HydrophobicContact CD1-CE1 4.36Å; L357-Y380 HydrophobicContact CD1-CG 4.02Å; Y376-Y380 PolarHBondContact O-N 3.12Å; L377-Y380 WeakPolarHBondContact O-CB 3.11Å; Y380-N382 VanDerWaalsContact C-N 3.33Å; Y380-N382 PolarHBondContact O-N 3.38Å; Y380-E383 PolarHBondContact O-N 3.46Å; Y380-R384 HydrophobicContact CD2-CG 3.69Å; Y380-R384 HydrophobicContact CE2-CB 4.35Å; Y380-R384 HydrophobicContact CE2-CG 3.35Å; Y380-R384 WeakPolarHBondContact O-CB 3.41Å; Y380-R384 WeakPolarHBondContact O-CG 3.34Å; Y380-R384 PolarHBondContact O-N 3.41Å
381T94.4Very high91.1Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-58-46.1178.7-66.20000111.3F323 Y324 S325 L377 K378 D379 R384 Q385F323-T381 HydrophobicContact CB-CG2 4.38Å; F323-T381 HydrophobicContact CD1-CG2 4.29Å; Y324-T381 HydrophobicContact CG-CG2 4.35Å; Y324-T381 PolarHBondContact N-OG1 2.66Å; S325-T381 PolarHBondContact N-OG1 2.92Å; S325-T381 PolarHBondContact OG-OG1 2.73Å; L377-T381 PolarHBondContact O-N 3.08Å; L377-T381 PolarHBondContact O-OG1 2.53Å; L377-T381 VanDerWaalsContact O-OG1 3.13Å; K378-T381 WeakPolarHBondContact O-CB 3.27Å; K378-T381 PolarHBondContact O-N 3.36Å; D379-T381 PolarHBondContact O-N 2.92Å; T381-R384 PolarHBondContact O-N 3.15Å; T381-Q385 HydrophobicContact CG2-CG 4.09Å; T381-Q385 VanDerWaalsContact O-CB 3.25Å; T381-Q385 WeakPolarHBondContact O-CB 3.3Å; T381-Q385 VanDerWaalsContact O-CG 3.25Å; T381-Q385 WeakPolarHBondContact O-CG 3.19Å; T381-Q385 PolarHBondContact O-N 2.63Å
382N92.5Very high90.7Very high70 Ų7034 Ų3437%0.37417%0.172SC..Hα-helixtrans-62.7-46.3-178.2-72.8-27.5000111.5K378 D379 Y380 R386K378-N382 WeakPolarHBondContact O-CB 3.25Å; K378-N382 PolarHBondContact O-N 3.24Å; K378-N382 PolarHBondContact O-ND2 3.07Å; D379-N382 PolarHBondContact O-N 3.24Å; Y380-N382 VanDerWaalsContact C-N 3.33Å; Y380-N382 PolarHBondContact O-N 3.38Å; N382-R386 WeakPolarHBondContact O-CB 3.23Å; N382-R386 WeakPolarHBondContact O-CD 3.13Å; N382-R386 WeakPolarHBondContact O-CG 3.23Å; N382-R386 PolarHBondContact O-N 3.09Å; N382-R386 VanDerWaalsContact O-N 3.11Å
383E90.3Very high90.1Very high58 Ų5834.1 Ų34.127%0.27117%0.173SC..Hα-helixtrans-61-50177.4178.5173.4123.800111.5S356 R359 H360 D379 Y380 R386 I387S356-E383 WeakPolarHBondContact CB-OE1 3.28Å; S356-E383 VanDerWaalsContact OG-CD 3.28Å; S356-E383 PolarHBondContact OG-OE1 3.17Å; R359-E383 IonicContact CZ-OE2 2.98Å; R359-E383 IonicContact NH2-OE1 3.99Å; R359-E383 PolarHBondContact NH2-OE1 2.98Å; R359-E383 IonicContact NH2-OE2 3.32Å; R359-E383 PolarHBondContact NH2-OE2 3.25Å; H360-E383 IonicContact CE1-OE2 2.73Å; H360-E383 PolarHBondContact CE1-OE2 3.01Å; H360-E383 VanDerWaalsContact CE1-OE2 3.26Å; H360-E383 IonicContact NE2-OE2 2.66Å; D379-E383 WeakPolarHBondContact O-CB 3.18Å; D379-E383 PolarHBondContact O-N 2.76Å; Y380-E383 PolarHBondContact O-N 3.46Å; E383-R386 PolarHBondContact O-N 2.99Å; E383-I387 HydrophobicContact CG-CD1 4.29Å; E383-I387 WeakPolarHBondContact O-CG1 3.49Å; E383-I387 PolarHBondContact O-N 3.07Å
384R92.2Very high89.4Confident13 Ų1332.9 Ų32.95%0.04916%0.164CC..Hα-helixtrans-71-35.8-175.8-64.8-50.5-60.8171.3-5.3112.7Y324 L349 D353 S356 Y380 T381 I387 I388Y324-R384 HydrophobicContact CD2-CB 3.75Å; Y324-R384 HydrophobicContact CE2-CB 3.58Å; L349-R384 PolarHBondContact O-NH2 2.87Å; D353-R384 IonicContact OD1-CZ 3.26Å; D353-R384 IonicContact OD1-NE 2.58Å; D353-R384 PolarHBondContact OD1-NE 3.14Å; D353-R384 IonicContact OD1-NH2 3.72Å; D353-R384 PolarHBondContact OD1-NH2 2.77Å; D353-R384 VanDerWaalsContact OD1-NH2 3.1Å; S356-R384 VanDerWaalsContact CB-CD 3.44Å; Y380-R384 HydrophobicContact CD2-CG 3.69Å; Y380-R384 HydrophobicContact CE2-CB 4.35Å; Y380-R384 HydrophobicContact CE2-CG 3.35Å; Y380-R384 WeakPolarHBondContact O-CB 3.41Å; Y380-R384 WeakPolarHBondContact O-CG 3.34Å; Y380-R384 PolarHBondContact O-N 3.41Å; T381-R384 PolarHBondContact O-N 3.15Å; R384-I387 WeakPolarHBondContact O-CB 3.34Å; R384-I387 PolarHBondContact O-N 3.45Å; R384-I387 VanDerWaalsContact O-N 3.13Å; R384-I388 HydrophobicContact CB-CD1 4.1Å; R384-I388 WeakPolarHBondContact O-CB 3.4Å; R384-I388 WeakPolarHBondContact O-CD1 3.3Å; R384-I388 PolarHBondContact O-N 3.42Å
385Q89.2Confident88.8Confident8 Ų830.4 Ų30.44%0.03715%0.151CC..Hα-helixtrans-66.5-38.1174.3-76.3-174.4-11.600112.9T322 Y324 T381 I387 I388 V389T322-Q385 PolarHBondContact O-NE2 3Å; Y324-Q385 HydrophobicContact CD1-CG 4.4Å; Y324-Q385 HydrophobicContact CD2-CG 4.47Å; Y324-Q385 HydrophobicContact CE1-CG 3.9Å; Y324-Q385 HydrophobicContact CE2-CG 3.99Å; T381-Q385 HydrophobicContact CG2-CG 4.09Å; T381-Q385 VanDerWaalsContact O-CB 3.25Å; T381-Q385 WeakPolarHBondContact O-CB 3.3Å; T381-Q385 VanDerWaalsContact O-CG 3.25Å; T381-Q385 WeakPolarHBondContact O-CG 3.19Å; T381-Q385 PolarHBondContact O-N 2.63Å; Q385-I387 PolarHBondContact O-N 3.44Å; Q385-I388 PolarHBondContact O-N 2.98Å; Q385-V389 HydrophobicContact CB-CG2 4.11Å; Q385-V389 HydrophobicContact CG-CG2 4.44Å; Q385-V389 VanDerWaalsContact O-CB 3.23Å; Q385-V389 WeakPolarHBondContact O-CB 3.45Å; Q385-V389 VanDerWaalsContact O-CG2 3.23Å; Q385-V389 WeakPolarHBondContact O-CG2 3.5Å; Q385-V389 PolarHBondContact O-N 3.32Å
386R86.5Confident88.3Confident141 Ų14128.3 Ų28.353%0.53213%0.132SC..Hα-helixtrans-57.1-23.9173.9-76.3169.4-174.5-171.53.2112.4N382 E383 P390N382-R386 WeakPolarHBondContact O-CB 3.23Å; N382-R386 WeakPolarHBondContact O-CD 3.13Å; N382-R386 WeakPolarHBondContact O-CG 3.23Å; N382-R386 PolarHBondContact O-N 3.09Å; N382-R386 VanDerWaalsContact O-N 3.11Å; E383-R386 PolarHBondContact O-N 2.99Å; R386-P390 WeakPolarHBondContact O-CD 3.46Å; R386-P390 WeakPolarHBondContact O-CG 3.22Å
387I84Confident87.3Confident36 Ų3627.1 Ų27.119%0.18513%0.128CC..Hα-helixtrans-93.8-54.2-177.5-68.3174.9000111.5Y280 E383 R384 Q385Y280-I387 HydrophobicContact CE1-CB 4.31Å; Y280-I387 HydrophobicContact CE1-CG2 3.35Å; Y280-I387 WeakPolarHBondContact OH-CA 3.32Å; Y280-I387 WeakPolarHBondContact OH-CB 3.29Å; Y280-I387 WeakPolarHBondContact OH-CG1 3.5Å; Y280-I387 WeakPolarHBondContact OH-CG2 3.16Å; Y280-I387 PolarHBondContact OH-O 2.96Å; E383-I387 HydrophobicContact CG-CD1 4.29Å; E383-I387 WeakPolarHBondContact O-CG1 3.49Å; E383-I387 PolarHBondContact O-N 3.07Å; R384-I387 WeakPolarHBondContact O-CB 3.34Å; R384-I387 PolarHBondContact O-N 3.45Å; R384-I387 VanDerWaalsContact O-N 3.13Å; Q385-I387 PolarHBondContact O-N 3.44Å
388I87.5Confident86.3Confident0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-75.3-37.3-171.7-74147.6000112.5Y324 H337 L349 D353 R384 Q385 L391 A392Y324-I388 HydrophobicContact CE2-CD1 3.68Å; Y324-I388 WeakPolarHBondContact OH-CB 3.21Å; Y324-I388 VanDerWaalsContact OH-CG2 3.31Å; Y324-I388 WeakPolarHBondContact OH-CG2 3.43Å; H337-I388 HydrophobicContact CB-CG2 3.79Å; H337-I388 WeakPolarHBondContact CD2-CD1 3.15Å; H337-I388 VanDerWaalsContact NE2-CD1 3.3Å; H337-I388 WeakPolarHBondContact NE2-CD1 3.12Å; L349-I388 HydrophobicContact CD2-CG1 3.71Å; D353-I388 WeakPolarHBondContact OD1-CD1 3.38Å; R384-I388 HydrophobicContact CB-CD1 4.1Å; R384-I388 WeakPolarHBondContact O-CB 3.4Å; R384-I388 WeakPolarHBondContact O-CD1 3.3Å; R384-I388 PolarHBondContact O-N 3.42Å; Q385-I388 PolarHBondContact O-N 2.98Å; I388-L391 PolarHBondContact O-N 2.84Å; I388-A392 VanDerWaalsContact O-CB 3.24Å; I388-A392 WeakPolarHBondContact O-CB 3.22Å; I388-A392 PolarHBondContact O-N 2.87Å
389V85.4Confident85.5Confident4 Ų422.4 Ų22.42%0.02411%0.107CC..Hα-helixtrans-65-48-173.3173.70000111.7H320 Q385 A392 G393 I434 T437 T441H320-V389 WeakPolarHBondContact NE2-CG2 3.28Å; Q385-V389 HydrophobicContact CB-CG2 4.11Å; Q385-V389 HydrophobicContact CG-CG2 4.44Å; Q385-V389 VanDerWaalsContact O-CB 3.23Å; Q385-V389 WeakPolarHBondContact O-CB 3.45Å; Q385-V389 VanDerWaalsContact O-CG2 3.23Å; Q385-V389 WeakPolarHBondContact O-CG2 3.5Å; Q385-V389 PolarHBondContact O-N 3.32Å; V389-A392 PolarHBondContact O-N 2.83Å; V389-G393 PolarHBondContact O-N 2.82Å; V389-I434 HydrophobicContact CG1-CD1 3.78Å; V389-I434 HydrophobicContact CG1-CG1 4.25Å; V389-I434 HydrophobicContact CG1-CG2 4.14Å; V389-T437 HydrophobicContact CG1-CG2 4.26Å; V389-T437 HydrophobicContact CG2-CG2 3.85Å; V389-T441 HydrophobicContact CB-CG2 4.08Å; V389-T441 HydrophobicContact CG1-CG2 4.25Å
390P80.3Confident84.5Confident6 Ų620 Ų204%0.0399%0.094CC..Hα-helixtrans-63.2-42175-22.535000112.5R386 A392 G393 T394 T441 L448R386-P390 WeakPolarHBondContact O-CD 3.46Å; R386-P390 WeakPolarHBondContact O-CG 3.22Å; P390-A392 PolarHBondContact O-N 2.78Å; P390-G393 PolarHBondContact O-N 2.86Å; P390-T394 PolarHBondContact O-N 2.83Å; P390-T394 PolarHBondContact O-OG1 2.66Å; P390-T441 HydrophobicContact CG-CG2 4.19Å; P390-L448 HydrophobicContact CB-CD2 4.47Å
391L83.3Confident83.1Confident5 Ų522.1 Ų22.13%0.02611%0.106CC..Hα-helixtrans-60.9-47.3178.7179.163.9000111.6V277 Y280 F281 L349 I388 G393 T394 L395V277-L391 HydrophobicContact CB-CD1 4.17Å; V277-L391 HydrophobicContact CG1-CD1 4.09Å; V277-L391 HydrophobicContact CG2-CD1 3.86Å; Y280-L391 HydrophobicContact CD1-CD2 4.04Å; Y280-L391 HydrophobicContact CE1-CD2 4.49Å; Y280-L391 HydrophobicContact CG-CD1 4.44Å; F281-L391 HydrophobicContact CE2-CD2 4.13Å; L349-L391 HydrophobicContact CD1-CD2 3.95Å; L349-L391 HydrophobicContact CD2-CD2 3.61Å; L349-L391 HydrophobicContact CG-CD2 4.21Å; I388-L391 PolarHBondContact O-N 2.84Å; L391-G393 VanDerWaalsContact C-N 3.31Å; L391-G393 PolarHBondContact O-N 2.86Å; L391-T394 PolarHBondContact O-N 3.48Å; L391-L395 HydrophobicContact CD1-CG 4.46Å; L391-L395 HydrophobicContact CG-CD1 4.32Å; L391-L395 WeakPolarHBondContact O-CG 3.45Å; L391-L395 PolarHBondContact O-N 3.31Å
392A85.1Confident81.8Confident2 Ų222.5 Ų22.52%0.01711%0.107CC..Hα-helixtrans-56.2-46.6174.400000111.3F318 I339 I388 V389 P390 T394 L395 E396F318-A392 HydrophobicContact CE2-CB 3.7Å; F318-A392 HydrophobicContact CZ-CB 4.28Å; I339-A392 HydrophobicContact CG2-CB 3.96Å; I388-A392 VanDerWaalsContact O-CB 3.24Å; I388-A392 WeakPolarHBondContact O-CB 3.22Å; I388-A392 PolarHBondContact O-N 2.87Å; V389-A392 PolarHBondContact O-N 2.83Å; P390-A392 PolarHBondContact O-N 2.78Å; A392-T394 PolarHBondContact O-N 2.93Å; A392-L395 PolarHBondContact O-N 3.18Å; A392-E396 WeakPolarHBondContact O-CB 3.35Å; A392-E396 VanDerWaalsContact O-CG 3.29Å; A392-E396 WeakPolarHBondContact O-CG 3.43Å; A392-E396 PolarHBondContact O-N 2.81Å
393G81.9Confident80.8Confident5 Ų519.1 Ų19.15%0.0529%0.089CC..Hα-helixtrans-61.8-41.8178.100000113.8V389 P390 L391 E396 L397V389-G393 PolarHBondContact O-N 2.82Å; P390-G393 PolarHBondContact O-N 2.86Å; L391-G393 VanDerWaalsContact C-N 3.31Å; L391-G393 PolarHBondContact O-N 2.86Å; G393-E396 PolarHBondContact O-N 2.9Å; G393-L397 VanDerWaalsContact O-CB 3.32Å; G393-L397 WeakPolarHBondContact O-CB 3.35Å; G393-L397 PolarHBondContact O-N 2.82Å
394T77.1Confident79.5Confident11 Ų1117.7 Ų17.77%0.0678%0.084CC..Hα-helixtrans-62.2-44174.7-57.40000111.3C273 V277 P390 L391 A392 L397 I398C273-T394 HydrophobicContact CB-CG2 3.77Å; C273-T394 WeakPolarHBondContact O-CG2 3.41Å; V277-T394 HydrophobicContact CG2-CG2 3.74Å; P390-T394 PolarHBondContact O-N 2.83Å; P390-T394 PolarHBondContact O-OG1 2.66Å; L391-T394 PolarHBondContact O-N 3.48Å; A392-T394 PolarHBondContact O-N 2.93Å; T394-L397 PolarHBondContact O-N 3.36Å; T394-I398 HydrophobicContact CG2-CD1 3.99Å; T394-I398 HydrophobicContact CG2-CG1 4.5Å; T394-I398 VanDerWaalsContact O-CG1 3.23Å; T394-I398 WeakPolarHBondContact O-CG1 3.33Å; T394-I398 PolarHBondContact O-N 2.97Å
395L81.9Confident77.9Confident0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-64.9-42.6178.8-71.3179.9000112.7V277 I339 L342 L391 A392 L397 I398 N399V277-L395 HydrophobicContact CB-CD2 4.41Å; V277-L395 HydrophobicContact CG1-CD2 3.76Å; V277-L395 HydrophobicContact CG2-CD2 3.72Å; V277-L395 HydrophobicContact CG2-CG 4.29Å; I339-L395 HydrophobicContact CB-CD1 4.29Å; I339-L395 HydrophobicContact CD1-CD1 3.47Å; I339-L395 VanDerWaalsContact CD1-CD1 3.47Å; I339-L395 HydrophobicContact CG1-CD1 4.45Å; L342-L395 HydrophobicContact CB-CD2 3.41Å; L342-L395 VanDerWaalsContact CB-CD2 3.41Å; L342-L395 HydrophobicContact CD2-CD2 3.76Å; L342-L395 HydrophobicContact CG-CD2 4.21Å; L391-L395 HydrophobicContact CD1-CG 4.46Å; L391-L395 HydrophobicContact CG-CD1 4.32Å; L391-L395 WeakPolarHBondContact O-CG 3.45Å; L391-L395 PolarHBondContact O-N 3.31Å; A392-L395 PolarHBondContact O-N 3.18Å; L395-L397 VanDerWaalsContact C-N 3.33Å; L395-I398 PolarHBondContact O-N 2.98Å; L395-N399 WeakPolarHBondContact O-CB 3.49Å; L395-N399 PolarHBondContact O-N 2.96Å
396E82.7Confident76.3Confident13 Ų1319.5 Ų19.56%0.06110%0.095CC..Hα-helixtrans-63-41.3175-70.5-60121.600111.4W181 H183 F318 L340 A392 G393 N399 L400W181-E396 HydrophobicContact CZ2-CG 3.95Å; W181-E396 WeakPolarHBondContact CZ2-OE2 3.39Å; W181-E396 PolarHBondContact NE1-OE2 3.41Å; H183-E396 IonicContact CE1-OE1 2.75Å; H183-E396 IonicContact CE1-OE2 3.1Å; H183-E396 PolarHBondContact CE1-OE2 3.29Å; H183-E396 IonicContact NE2-OE1 3.51Å; H183-E396 PolarHBondContact NE2-OE1 2.79Å; H183-E396 IonicContact NE2-OE2 2.63Å; H183-E396 PolarHBondContact NE2-OE2 2.75Å; F318-E396 HydrophobicContact CD2-CG 4.29Å; F318-E396 HydrophobicContact CG-CG 4.39Å; L340-E396 WeakPolarHBondContact CD1-OE1 3.42Å; L340-E396 WeakPolarHBondContact CG-OE1 3.22Å; A392-E396 WeakPolarHBondContact O-CB 3.35Å; A392-E396 VanDerWaalsContact O-CG 3.29Å; A392-E396 WeakPolarHBondContact O-CG 3.43Å; A392-E396 PolarHBondContact O-N 2.81Å; G393-E396 PolarHBondContact O-N 2.9Å; E396-N399 PolarHBondContact O-N 3.17Å; E396-L400 VanDerWaalsContact O-CB 3.25Å; E396-L400 WeakPolarHBondContact O-CB 3.4Å; E396-L400 PolarHBondContact O-N 2.84Å
397L75.8Confident74.7Confident17 Ų1714.5 Ų14.59%0.0898%0.077CC..Hα-helixtrans-61.8-49175.5176.661.7000111.5G393 T394 L395 N399 L400 L401 F451G393-L397 VanDerWaalsContact O-CB 3.32Å; G393-L397 WeakPolarHBondContact O-CB 3.35Å; G393-L397 PolarHBondContact O-N 2.82Å; T394-L397 PolarHBondContact O-N 3.36Å; L395-L397 VanDerWaalsContact C-N 3.33Å; L397-N399 VanDerWaalsContact C-N 3.3Å; L397-N399 PolarHBondContact O-N 3.28Å; L397-L400 PolarHBondContact O-N 2.91Å; L397-L401 HydrophobicContact CD1-CD1 3.93Å; L397-L401 HydrophobicContact CD1-CG 4.08Å; L397-L401 HydrophobicContact CG-CD1 3.91Å; L397-L401 HydrophobicContact CG-CG 4.46Å; L397-L401 WeakPolarHBondContact O-CB 3.17Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.46Å; L397-L401 PolarHBondContact O-N 3.44Å; L397-F451 HydrophobicContact CD1-CD2 4.48Å; L397-F451 HydrophobicContact CD1-CE2 3.6Å; L397-F451 HydrophobicContact CD1-CZ 3.61Å; L397-F451 HydrophobicContact CD2-CD1 4.4Å; L397-F451 HydrophobicContact CD2-CD2 3.7Å; L397-F451 HydrophobicContact CD2-CE1 4.37Å; L397-F451 HydrophobicContact CD2-CE2 3.65Å; L397-F451 HydrophobicContact CD2-CG 4.07Å; L397-F451 HydrophobicContact CD2-CZ 3.98Å; L397-F451 HydrophobicContact CG-CE2 4.29Å; L397-F451 HydrophobicContact CG-CZ 4.42Å
398I75.9Confident73Confident0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-59-45.2177.8-68.1171.5000110.4F207 V270 C273 F274 V277 L342 T394 L395 L400 L401 Y402F207-I398 HydrophobicContact CE1-CG2 3.62Å; F207-I398 HydrophobicContact CZ-CG2 3.71Å; V270-I398 HydrophobicContact CG1-CB 4.35Å; V270-I398 HydrophobicContact CG1-CD1 4.47Å; V270-I398 HydrophobicContact CG1-CG1 3.93Å; V270-I398 HydrophobicContact CG1-CG2 3.83Å; C273-I398 HydrophobicContact CB-CD1 3.92Å; C273-I398 HydrophobicContact CB-CG1 4Å; F274-I398 HydrophobicContact CB-CD1 4.02Å; F274-I398 HydrophobicContact CD2-CD1 4.2Å; V277-I398 HydrophobicContact CG2-CD1 4.17Å; L342-I398 HydrophobicContact CD2-CB 4.32Å; L342-I398 HydrophobicContact CD2-CD1 4.33Å; L342-I398 HydrophobicContact CD2-CG2 3.67Å; T394-I398 HydrophobicContact CG2-CD1 3.99Å; T394-I398 HydrophobicContact CG2-CG1 4.5Å; T394-I398 VanDerWaalsContact O-CG1 3.23Å; T394-I398 WeakPolarHBondContact O-CG1 3.33Å; T394-I398 PolarHBondContact O-N 2.97Å; L395-I398 PolarHBondContact O-N 2.98Å; I398-L400 VanDerWaalsContact C-N 3.33Å; I398-L400 PolarHBondContact O-N 2.86Å; I398-L401 PolarHBondContact O-N 2.9Å; I398-Y402 HydrophobicContact CG2-CD2 4.03Å; I398-Y402 HydrophobicContact CG2-CE2 4.27Å; I398-Y402 WeakPolarHBondContact O-CD2 3.32Å; I398-Y402 PolarHBondContact O-N 2.81Å
399N78.2Confident71.1Confident4 Ų422.2 Ų22.22%0.02111%0.114CC..Hα-helixtrans-63.9-39.8178.3-171.541.3000111.9H183 Q185 L340 L395 E396 L397 S403H183-N399 PolarHBondContact ND1-ND2 3.22Å; Q185-N399 PolarHBondContact OE1-ND2 2.87Å; Q185-N399 VanDerWaalsContact OE1-ND2 3.15Å; L340-N399 HydrophobicContact CD1-CB 3.36Å; L340-N399 WeakPolarHBondContact CD1-ND2 3.35Å; L395-N399 WeakPolarHBondContact O-CB 3.49Å; L395-N399 PolarHBondContact O-N 2.96Å; E396-N399 PolarHBondContact O-N 3.17Å; L397-N399 VanDerWaalsContact C-N 3.3Å; L397-N399 PolarHBondContact O-N 3.28Å; N399-S403 WeakPolarHBondContact O-CA 3.1Å; N399-S403 WeakPolarHBondContact O-CB 3.38Å; N399-S403 PolarHBondContact O-N 3.2Å; N399-S403 PolarHBondContact O-OG 2.9Å; N399-S403 PolarHBondContact OD1-OG 3.04Å
400L72.9Confident69.3Low26 Ų2626.7 Ų26.714%0.13614%0.135CC..Hα-helixtrans-67.8-37.7178.5-177.955.2000112.7E396 L397 I398 Y407 L423 L426E396-L400 VanDerWaalsContact O-CB 3.25Å; E396-L400 WeakPolarHBondContact O-CB 3.4Å; E396-L400 PolarHBondContact O-N 2.84Å; L397-L400 PolarHBondContact O-N 2.91Å; I398-L400 VanDerWaalsContact C-N 3.33Å; I398-L400 PolarHBondContact O-N 2.86Å; L400-Y407 HydrophobicContact CB-CE2 4.49Å; L400-Y407 HydrophobicContact CD1-CD1 4.37Å; L400-Y407 HydrophobicContact CD1-CD2 3.61Å; L400-Y407 HydrophobicContact CD1-CE1 4.2Å; L400-Y407 HydrophobicContact CD1-CE2 3.43Å; L400-Y407 VanDerWaalsContact CD1-CE2 3.43Å; L400-Y407 HydrophobicContact CD1-CG 4.11Å; L400-L423 HydrophobicContact CD1-CD1 4.41Å; L400-L423 HydrophobicContact CD2-CD1 3.19Å; L400-L423 HydrophobicContact CG-CD1 3.62Å; L400-L426 HydrophobicContact CD1-CD1 4.02Å; L400-L426 HydrophobicContact CD2-CB 4.3Å; L400-L426 HydrophobicContact CD2-CD1 4.27Å
401L68.8Low67.2Low46 Ų4630.7 Ų30.724%0.24116%0.156CC..Hα-helixtrans-66.5-36.4177.9-72.4170.3000112.2V266 V270 L397 I398 I461V266-L401 HydrophobicContact CG1-CB 4.45Å; V270-L401 HydrophobicContact CG2-CB 4.15Å; V270-L401 HydrophobicContact CG2-CD1 3.52Å; V270-L401 HydrophobicContact CG2-CG 4.46Å; L397-L401 HydrophobicContact CD1-CD1 3.93Å; L397-L401 HydrophobicContact CD1-CG 4.08Å; L397-L401 HydrophobicContact CG-CD1 3.91Å; L397-L401 HydrophobicContact CG-CG 4.46Å; L397-L401 WeakPolarHBondContact O-CB 3.17Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.46Å; L397-L401 PolarHBondContact O-N 3.44Å; I398-L401 PolarHBondContact O-N 2.9Å; L401-I461 HydrophobicContact CD2-CD1 4.3Å
402Y67.1Low65.2Low7 Ų737.7 Ų37.73%0.02719%0.192CC..Hα-helixtrans-95.6-34.5-178.9-72.6-58.1000115.2E77 F207 P209 V266 L267 V270 I398 T404E77-Y402 HydrophobicContact CB-CE1 4.46Å; E77-Y402 HydrophobicContact CG-CD1 4.2Å; E77-Y402 HydrophobicContact CG-CE1 3.62Å; E77-Y402 WeakPolarHBondContact OE1-CE1 3.47Å; F207-Y402 HydrophobicContact CB-CD1 3.71Å; F207-Y402 HydrophobicContact CB-CD2 3.65Å; F207-Y402 HydrophobicContact CB-CE1 3.9Å; F207-Y402 HydrophobicContact CB-CE2 3.69Å; F207-Y402 HydrophobicContact CB-CG 3.61Å; F207-Y402 AromaticContact CD1-CD2 3.18Å; F207-Y402 HydrophobicContact CD1-CD2 3.18Å; F207-Y402 AromaticContact CD1-CE2 3.55Å; F207-Y402 HydrophobicContact CD1-CE2 3.55Å; F207-Y402 AromaticContact CD1-CG 3.81Å; F207-Y402 HydrophobicContact CD1-CG 3.81Å; F207-Y402 HydrophobicContact CD2-CD2 4Å; F207-Y402 AromaticContact CD2-CE2 3.45Å; F207-Y402 HydrophobicContact CD2-CE2 3.45Å; F207-Y402 VanDerWaalsContact CD2-CE2 3.45Å; F207-Y402 AromaticContact CD2-CZ 3.96Å; F207-Y402 AromaticContact CE1-CD2 3.68Å; F207-Y402 HydrophobicContact CE1-CD2 3.68Å; F207-Y402 AromaticContact CE1-CE2 3.92Å; F207-Y402 HydrophobicContact CE1-CE2 3.92Å; F207-Y402 HydrophobicContact CE2-CD2 4.4Å; F207-Y402 AromaticContact CE2-CE2 3.81Å; F207-Y402 HydrophobicContact CE2-CE2 3.81Å; F207-Y402 HydrophobicContact CG-CD1 4.34Å; F207-Y402 AromaticContact CG-CD2 3.35Å; F207-Y402 HydrophobicContact CG-CD2 3.35Å; F207-Y402 HydrophobicContact CG-CE1 4.4Å; F207-Y402 AromaticContact CG-CE2 3.28Å; F207-Y402 HydrophobicContact CG-CE2 3.28Å; F207-Y402 AromaticContact CG-CG 3.86Å; F207-Y402 HydrophobicContact CG-CG 3.86Å; F207-Y402 AromaticContact CG-CZ 3.9Å; F207-Y402 HydrophobicContact CZ-CD2 4.25Å; F207-Y402 HydrophobicContact CZ-CE2 4.02Å; P209-Y402 CarbonylContact C-O 3.47Å; P209-Y402 WeakPolarHBondContact CA-O 3.23Å; V266-Y402 HydrophobicContact CG1-CE1 4.08Å; L267-Y402 VanDerWaalsContact CD1-OH 3.28Å; L267-Y402 WeakPolarHBondContact CD1-OH 3.4Å; V270-Y402 HydrophobicContact CB-CE2 3.93Å; V270-Y402 HydrophobicContact CG1-CD2 4.11Å; V270-Y402 HydrophobicContact CG1-CE2 3.2Å; V270-Y402 HydrophobicContact CG2-CE2 4.04Å; I398-Y402 HydrophobicContact CG2-CD2 4.03Å; I398-Y402 HydrophobicContact CG2-CE2 4.27Å; I398-Y402 WeakPolarHBondContact O-CD2 3.32Å; I398-Y402 PolarHBondContact O-N 2.81Å; Y402-T404 PolarHBondContact O-N 3.3Å
403S70.1Confident62.8Low0 Ų044.9 Ų44.90%023%0.23CC..  trans-82.949.5-173.4-64.10000112.8Q185 P209 N399 D405 V406 Y407Q185-S403 PolarHBondContact NE2-OG 3.22Å; P209-S403 CarbonylContact O-C 3.52Å; P209-S403 VanDerWaalsContact O-CA 3.26Å; P209-S403 WeakPolarHBondContact O-CA 3.47Å; N399-S403 WeakPolarHBondContact O-CA 3.1Å; N399-S403 WeakPolarHBondContact O-CB 3.38Å; N399-S403 PolarHBondContact O-N 3.2Å; N399-S403 PolarHBondContact O-OG 2.9Å; N399-S403 PolarHBondContact OD1-OG 3.04Å; S403-D405 VanDerWaalsContact C-N 3.28Å; S403-D405 PolarHBondContact O-N 2.89Å; S403-V406 WeakPolarHBondContact O-CB 3.41Å; S403-V406 PolarHBondContact O-N 2.96Å; S403-Y407 WeakPolarHBondContact O-CD2 3.28Å
404T64.4Low60.5Low27 Ų2752 Ų5217%0.16626%0.262CS..Hα-helixtrans-57.5-38.9-175.655.70000112.8P209 Y402 V406 Y407 C408P209-T404 PolarHBondContact O-N 3.25Å; P209-T404 VanDerWaalsContact O-N 3.13Å; Y402-T404 PolarHBondContact O-N 3.3Å; T404-V406 VanDerWaalsContact C-N 3.3Å; T404-V406 PolarHBondContact O-N 2.98Å; T404-Y407 PolarHBondContact O-N 3.32Å; T404-C408 WeakPolarHBondContact O-CB 3.34Å; T404-C408 PolarHBondContact O-N 2.63Å; T404-C408 PolarHBondContact O-SG 3.33Å
405D58.6Low58.4Low54 Ų5457.1 Ų57.129%0.28930%0.298SS..Hα-helixtrans-69.7-30.9-175.3-72.3-2.3000112.5P209 T210 S403 Y407 K409P209-D405 PolarHBondContact O-N 3.06Å; P209-D405 VanDerWaalsContact O-N 3.07Å; T210-D405 HydrophobicContact CG2-CB 4.24Å; S403-D405 VanDerWaalsContact C-N 3.28Å; S403-D405 PolarHBondContact O-N 2.89Å; D405-Y407 VanDerWaalsContact C-N 3.3Å; D405-Y407 PolarHBondContact O-N 3.08Å; D405-K409 WeakPolarHBondContact O-CB 3.39Å; D405-K409 PolarHBondContact O-N 2.96Å; D405-K409 VanDerWaalsContact O-N 3.07Å
406V54.7Low56.1Low5 Ų562.2 Ų62.23%0.0333%0.334CS..Hα-helixtrans-63.6-38.9177.6-1790000110.6H183 Q185 T210 T230 S403 T404 Q410H183-V406 WeakPolarHBondContact O-CG1 3.47Å; Q185-V406 HydrophobicContact CG-CB 4.5Å; Q185-V406 HydrophobicContact CG-CG1 3.86Å; Q185-V406 HydrophobicContact CG-CG2 3.77Å; T210-V406 WeakPolarHBondContact O-CG2 3.07Å; T230-V406 HydrophobicContact CG2-CB 4.4Å; T230-V406 HydrophobicContact CG2-CG2 3.64Å; S403-V406 WeakPolarHBondContact O-CB 3.41Å; S403-V406 PolarHBondContact O-N 2.96Å; T404-V406 VanDerWaalsContact C-N 3.3Å; T404-V406 PolarHBondContact O-N 2.98Å; V406-Q410 VanDerWaalsContact O-CG 3.3Å; V406-Q410 WeakPolarHBondContact O-CG 3.49Å; V406-Q410 PolarHBondContact O-NE2 3.39Å
407Y53.9Low53.7Low37 Ų3767.8 Ų67.815%0.14536%0.363CS..Hα-helixtrans-89.9-29-177.4-60.5-73.3000113.3H183 L400 S403 T404 D405 K422 L426H183-Y407 PolarHBondContact ND1-OH 2.81Å; L400-Y407 HydrophobicContact CB-CE2 4.49Å; L400-Y407 HydrophobicContact CD1-CD1 4.37Å; L400-Y407 HydrophobicContact CD1-CD2 3.61Å; L400-Y407 HydrophobicContact CD1-CE1 4.2Å; L400-Y407 HydrophobicContact CD1-CE2 3.43Å; L400-Y407 VanDerWaalsContact CD1-CE2 3.43Å; L400-Y407 HydrophobicContact CD1-CG 4.11Å; S403-Y407 WeakPolarHBondContact O-CD2 3.28Å; T404-Y407 PolarHBondContact O-N 3.32Å; D405-Y407 VanDerWaalsContact C-N 3.3Å; D405-Y407 PolarHBondContact O-N 3.08Å; Y407-K422 PolarHBondContact O-NZ 2.85Å; Y407-L426 HydrophobicContact CD1-CD1 4.19Å; Y407-L426 HydrophobicContact CE1-CD1 3.86Å
408C47.6Very low51.8Low46 Ų4668.6 Ų68.631%0.31137%0.369SS..Hα-helixtrans-75.8-44.5178-69.60000112.7T404 Q410 C418T404-C408 WeakPolarHBondContact O-CB 3.34Å; T404-C408 PolarHBondContact O-N 2.63Å; T404-C408 PolarHBondContact O-SG 3.33Å; C408-Q410 VanDerWaalsContact C-N 3.33Å; C408-Q410 PolarHBondContact O-N 3.29Å; C408-C418 VanDerWaalsContact SG-SG 3.62Å
409K48Very low49.9Very low152 Ų15274.1 Ų74.166%0.66140%0.395SS*.THydrogen-bonded Turntrans-74.5-16.6-176.7-74.9-177.1176.3173.80114.7D405 N411D405-K409 WeakPolarHBondContact O-CB 3.39Å; D405-K409 PolarHBondContact O-N 2.96Å; D405-K409 VanDerWaalsContact O-N 3.07Å; K409-N411 PolarHBondContact O-N 2.81Å
410Q47.3Very low47.9Very low98 Ų9878.2 Ų78.246%0.45842%0.417SS..THydrogen-bonded Turntrans-65.9-22-179.8-81.1179.71500114.1V406 C408V406-Q410 VanDerWaalsContact O-CG 3.3Å; V406-Q410 WeakPolarHBondContact O-CG 3.49Å; V406-Q410 PolarHBondContact O-NE2 3.39Å; C408-Q410 VanDerWaalsContact C-N 3.33Å; C408-Q410 PolarHBondContact O-N 3.29Å
411N35.2Very low46.2Very low90 Ų9080.3 Ų80.348%0.48143%0.434SS..  trans-12790.7175.3-80.3-4.7000110.4K409 N413K409-N411 PolarHBondContact O-N 2.81Å; N411-N413 PolarHBondContact O-N 3.02Å
412I41.3Very low44.9Very low152 Ų15281.1 Ų81.178%0.77944%0.435SS*.THydrogen-bonded Turntrans-66.5-13172.9-68.3172.4000112.1
413N34.9Very low43.8Very low153 Ų15382.3 Ų82.382%0.81844%0.442SS*.THydrogen-bonded Turntrans-88.5-4.8-173.1-73.80.7000116.4N411N411-N413 PolarHBondContact O-N 3.02Å
414E33.3Very low42.4Very low155 Ų15584.4 Ų84.472%0.72446%0.457SS*.  trans-140.190.9178.8-73.3-178.4169.300111.3S416E414-S416 VanDerWaalsContact C-N 3.33Å; E414-S416 PolarHBondContact O-N 3.23Å
415S33.8Very low41.6Very low117 Ų11789.9 Ų89.982%0.81848%0.475SS*.THydrogen-bonded Turntrans-83.220.7-168.548.90000115.8
416S32.9Very low41.1Very low108 Ų10889.5 Ų89.576%0.75547%0.473SS*.THydrogen-bonded Turntrans-141-5.8-171.9-50.10000118.6E414E414-S416 VanDerWaalsContact C-N 3.33Å; E414-S416 PolarHBondContact O-N 3.23Å
417I33.1Very low40.7Very low130 Ų13090 Ų9067%0.66748%0.475SS*.  trans-143.755.5-177.9-43.9176.1000110.8S421I417-S421 PolarHBondContact O-OG 2.7Å
418C35.6Very low40.3Very low34 Ų3492.3 Ų92.323%0.2349%0.49CS..  trans-86.1-23.5-176.9-158.60000114.2C408 K422C408-C418 VanDerWaalsContact SG-SG 3.62Å; C418-K422 PolarHBondContact SG-NZ 3.41Å; C418-K422 VanDerWaalsContact SG-NZ 3.43Å
419H37.1Very low40.1Very low116 Ų11693.9 Ų93.954%0.53749%0.492SS..SBendtrans-84.9-42.1-167.4-89.3-51.6000115.7L423H419-L423 VanDerWaalsContact O-CB 3.24Å; H419-L423 WeakPolarHBondContact O-CB 3.47Å
420N35Very low40.1Very low90 Ų9088 Ų8848%0.48147%0.466SS..Hα-helixtrans-92.6-39.7-169.8-80.4-20.1000114.8S424N420-S424 WeakPolarHBondContact O-CB 3.41Å; N420-S424 PolarHBondContact O-N 3.34Å
421S38.5Very low40Very low70 Ų7085.7 Ų85.749%0.4946%0.457SS..Hα-helixtrans-74.3-42.3-173.161.20000112.7I417 Y425I417-S421 PolarHBondContact O-OG 2.7Å; S421-Y425 VanDerWaalsContact O-CB 3.3Å; S421-Y425 WeakPolarHBondContact O-CB 3.36Å; S421-Y425 PolarHBondContact O-N 3.29Å
422K40.4Very low40.3Very low62 Ų6284.5 Ų84.527%0.2745%0.453SS..Hα-helixtrans-72.3-38.7-179.4-71179.8-179.6172.60112.8Y407 C418 Y425 L426Y407-K422 PolarHBondContact O-NZ 2.85Å; C418-K422 PolarHBondContact SG-NZ 3.41Å; C418-K422 VanDerWaalsContact SG-NZ 3.43Å; K422-Y425 PolarHBondContact O-N 3.34Å; K422-L426 PolarHBondContact O-N 3.47Å
423L43.4Very low40.5Very low33 Ų3380.1 Ų80.117%0.17343%0.431CS..Hα-helixtrans-62.1-50.2175179.460.3000110.4L400 H419 Y425 L426 I427 I461L400-L423 HydrophobicContact CD1-CD1 4.41Å; L400-L423 HydrophobicContact CD2-CD1 3.19Å; L400-L423 HydrophobicContact CG-CD1 3.62Å; H419-L423 VanDerWaalsContact O-CB 3.24Å; H419-L423 WeakPolarHBondContact O-CB 3.47Å; L423-Y425 VanDerWaalsContact C-N 3.29Å; L423-Y425 PolarHBondContact O-N 3.4Å; L423-L426 PolarHBondContact O-N 2.93Å; L423-I427 HydrophobicContact CD1-CD1 3.57Å; L423-I427 HydrophobicContact CD1-CG1 4.18Å; L423-I427 HydrophobicContact CG-CD1 3.71Å; L423-I427 VanDerWaalsContact O-CB 3.31Å; L423-I427 WeakPolarHBondContact O-CB 3.31Å; L423-I427 WeakPolarHBondContact O-CD1 3.25Å; L423-I427 VanDerWaalsContact O-CG1 3.24Å; L423-I427 WeakPolarHBondContact O-CG1 3.44Å; L423-I427 PolarHBondContact O-N 3.36Å; L423-I461 HydrophobicContact CD2-CD1 3.66Å; L423-I461 HydrophobicContact CD2-CG1 4.33Å
424S41.8Very low40.7Very low44 Ų4473.7 Ų73.731%0.30840%0.396SS..Hα-helixtrans-59.4-38.9171.7-90.40000112.1N420 N428N420-S424 WeakPolarHBondContact O-CB 3.41Å; N420-S424 PolarHBondContact O-N 3.34Å; S424-N428 WeakPolarHBondContact O-CA 3.39Å; S424-N428 WeakPolarHBondContact O-CB 3.28Å; S424-N428 PolarHBondContact O-N 3.39Å; S424-N428 PolarHBondContact O-ND2 2.76Å
425Y47.5Very low41.2Very low141 Ų14176.3 Ų76.355%0.55340%0.399SS*.Hα-helixtrans-67.3-43.2178.2177.7-103.6000112.7S421 K422 L423 K429S421-Y425 VanDerWaalsContact O-CB 3.3Å; S421-Y425 WeakPolarHBondContact O-CB 3.36Å; S421-Y425 PolarHBondContact O-N 3.29Å; K422-Y425 PolarHBondContact O-N 3.34Å; L423-Y425 VanDerWaalsContact C-N 3.29Å; L423-Y425 PolarHBondContact O-N 3.4Å; Y425-K429 HydrophobicContact CE1-CD 4.01Å; Y425-K429 WeakPolarHBondContact O-CA 3.24Å; Y425-K429 WeakPolarHBondContact O-CB 3.35Å; Y425-K429 PolarHBondContact O-N 2.87Å
426L48.2Very low41.8Very low47 Ų4773.3 Ų73.325%0.24639%0.386CS..Hα-helixtrans-70.9-41.9178.2-75175.2000111.8L400 Y407 K422 L423 K429 F430L400-L426 HydrophobicContact CD1-CD1 4.02Å; L400-L426 HydrophobicContact CD2-CB 4.3Å; L400-L426 HydrophobicContact CD2-CD1 4.27Å; Y407-L426 HydrophobicContact CD1-CD1 4.19Å; Y407-L426 HydrophobicContact CE1-CD1 3.86Å; K422-L426 PolarHBondContact O-N 3.47Å; L423-L426 PolarHBondContact O-N 2.93Å; L426-K429 PolarHBondContact O-N 3.18Å; L426-F430 VanDerWaalsContact O-CB 3.3Å; L426-F430 WeakPolarHBondContact O-CB 3.29Å; L426-F430 PolarHBondContact O-N 2.83Å
427I46.4Very low42.3Very low15 Ų1568.8 Ų68.88%0.07736%0.355CS..Hα-helixtrans-63.1-48.2173.3-68.2165.3000109.7L423 K429 F430 I431 F451 V455L423-I427 HydrophobicContact CD1-CD1 3.57Å; L423-I427 HydrophobicContact CD1-CG1 4.18Å; L423-I427 HydrophobicContact CG-CD1 3.71Å; L423-I427 VanDerWaalsContact O-CB 3.31Å; L423-I427 WeakPolarHBondContact O-CB 3.31Å; L423-I427 WeakPolarHBondContact O-CD1 3.25Å; L423-I427 VanDerWaalsContact O-CG1 3.24Å; L423-I427 WeakPolarHBondContact O-CG1 3.44Å; L423-I427 PolarHBondContact O-N 3.36Å; I427-K429 VanDerWaalsContact C-N 3.3Å; I427-K429 PolarHBondContact O-N 3.46Å; I427-F430 WeakPolarHBondContact O-CB 3.32Å; I427-F430 PolarHBondContact O-N 2.76Å; I427-I431 HydrophobicContact CG2-CD1 3.48Å; I427-I431 VanDerWaalsContact CG2-CD1 3.48Å; I427-I431 HydrophobicContact CG2-CG1 4.23Å; I427-I431 WeakPolarHBondContact O-CB 3.29Å; I427-I431 WeakPolarHBondContact O-CD1 3.18Å; I427-I431 WeakPolarHBondContact O-CG1 3.4Å; I427-I431 PolarHBondContact O-N 3.42Å; I427-F451 HydrophobicContact CD1-CZ 3.72Å; I427-F451 HydrophobicContact CG1-CZ 4.17Å; I427-F451 HydrophobicContact CG2-CE1 4.22Å; I427-F451 HydrophobicContact CG2-CZ 4.44Å; I427-V455 HydrophobicContact CG2-CG1 4.42Å
428N45.2Very low42.5Very low85 Ų8564.6 Ų64.646%0.45534%0.343SS..Hα-helixtrans-60.4-41.7174.9-81-42.7000110.8S424 F430 I431 T432S424-N428 WeakPolarHBondContact O-CA 3.39Å; S424-N428 WeakPolarHBondContact O-CB 3.28Å; S424-N428 PolarHBondContact O-N 3.39Å; S424-N428 PolarHBondContact O-ND2 2.76Å; N428-F430 VanDerWaalsContact C-N 3.34Å; N428-F430 PolarHBondContact O-N 2.96Å; N428-I431 PolarHBondContact O-N 3.15Å; N428-T432 WeakPolarHBondContact O-CA 3.34Å; N428-T432 VanDerWaalsContact O-CB 3.27Å; N428-T432 WeakPolarHBondContact O-CB 3.26Å; N428-T432 WeakPolarHBondContact O-CG2 3.38Å; N428-T432 PolarHBondContact O-N 2.71Å; N428-T432 PolarHBondContact O-OG1 3.31Å
429K44.1Very low42.6Very low80 Ų8069.2 Ų69.235%0.34836%0.363SS..Hα-helixtrans-65.9-38178.1-170.5169.4-174.9174.70111.6Y425 L426 I427 T432 N433Y425-K429 HydrophobicContact CE1-CD 4.01Å; Y425-K429 WeakPolarHBondContact O-CA 3.24Å; Y425-K429 WeakPolarHBondContact O-CB 3.35Å; Y425-K429 PolarHBondContact O-N 2.87Å; L426-K429 PolarHBondContact O-N 3.18Å; I427-K429 VanDerWaalsContact C-N 3.3Å; I427-K429 PolarHBondContact O-N 3.46Å; K429-T432 WeakPolarHBondContact CA-OG1 3.5Å; K429-T432 PolarHBondContact O-OG1 3.01Å; K429-N433 VanDerWaalsContact CG-ND2 3.25Å; K429-N433 WeakPolarHBondContact CG-ND2 3.5Å; K429-N433 WeakPolarHBondContact O-CB 3.27Å; K429-N433 PolarHBondContact O-N 3.03Å; K429-N433 PolarHBondContact O-ND2 3.47Å
430F46.8Very low42.9Very low28 Ų2866.8 Ų66.812%0.12336%0.359CS..Hα-helixtrans-60.7-53.9171.7-169.1-102.7000109.9W181 F318 L426 I427 N428 N433 I434W181-F430 AromaticContact CH2-CD2 3.83Å; W181-F430 HydrophobicContact CH2-CD2 3.83Å; W181-F430 HydrophobicContact CH2-CE2 4.39Å; W181-F430 HydrophobicContact CZ2-CD2 4.46Å; F318-F430 HydrophobicContact CZ-CE2 4.43Å; L426-F430 VanDerWaalsContact O-CB 3.3Å; L426-F430 WeakPolarHBondContact O-CB 3.29Å; L426-F430 PolarHBondContact O-N 2.83Å; I427-F430 WeakPolarHBondContact O-CB 3.32Å; I427-F430 PolarHBondContact O-N 2.76Å; N428-F430 VanDerWaalsContact C-N 3.34Å; N428-F430 PolarHBondContact O-N 2.96Å; F430-N433 PolarHBondContact O-N 2.96Å; F430-I434 HydrophobicContact CD1-CD1 3.46Å; F430-I434 VanDerWaalsContact CD1-CD1 3.46Å; F430-I434 HydrophobicContact CD2-CD1 4.03Å; F430-I434 HydrophobicContact CE1-CD1 3.05Å; F430-I434 HydrophobicContact CE1-CG1 4.47Å; F430-I434 HydrophobicContact CE2-CD1 3.67Å; F430-I434 HydrophobicContact CG-CD1 3.91Å; F430-I434 HydrophobicContact CZ-CD1 3.13Å; F430-I434 HydrophobicContact CZ-CG1 4.46Å; F430-I434 WeakPolarHBondContact O-CB 3.5Å; F430-I434 WeakPolarHBondContact O-CG1 3.28Å; F430-I434 PolarHBondContact O-N 2.9Å
431I45.1Very low43.2Very low50 Ų5062.9 Ų62.926%0.25634%0.339SS..Hα-helixtrans-61.4-48.9179.8-65.8165.5000112I427 N428 N433 I434 L452I427-I431 HydrophobicContact CG2-CD1 3.48Å; I427-I431 VanDerWaalsContact CG2-CD1 3.48Å; I427-I431 HydrophobicContact CG2-CG1 4.23Å; I427-I431 WeakPolarHBondContact O-CB 3.29Å; I427-I431 WeakPolarHBondContact O-CD1 3.18Å; I427-I431 WeakPolarHBondContact O-CG1 3.4Å; I427-I431 PolarHBondContact O-N 3.42Å; N428-I431 PolarHBondContact O-N 3.15Å; I431-N433 VanDerWaalsContact C-N 3.35Å; I431-N433 PolarHBondContact O-N 2.8Å; I431-I434 PolarHBondContact O-N 2.76Å; I431-L452 HydrophobicContact CD1-CD2 3.25Å; I431-L452 HydrophobicContact CG1-CD2 3.52Å
432T43Very low43.4Very low65 Ų6560.8 Ų60.840%0.39932%0.322SS..Hα-helixtrans-69.2-34.9-176.458.80000111.3N428 K429 R435N428-T432 WeakPolarHBondContact O-CA 3.34Å; N428-T432 VanDerWaalsContact O-CB 3.27Å; N428-T432 WeakPolarHBondContact O-CB 3.26Å; N428-T432 WeakPolarHBondContact O-CG2 3.38Å; N428-T432 PolarHBondContact O-N 2.71Å; N428-T432 PolarHBondContact O-OG1 3.31Å; K429-T432 WeakPolarHBondContact CA-OG1 3.5Å; K429-T432 PolarHBondContact O-OG1 3.01Å; T432-R435 VanDerWaalsContact O-CB 3.32Å; T432-R435 WeakPolarHBondContact O-CB 3.43Å; T432-R435 VanDerWaalsContact O-CG 3.31Å; T432-R435 WeakPolarHBondContact O-CG 3.46Å
433N44Very low43.5Very low60 Ų6063.2 Ų63.232%0.32133%0.334SS..Hα-helixtrans-81-27.3178.6-65.3-19.6000112.1I179 K429 F430 I431 R435I179-N433 HydrophobicContact CD1-CB 3.92Å; I179-N433 WeakPolarHBondContact CD1-O 3.35Å; I179-N433 HydrophobicContact CG1-CB 4.19Å; I179-N433 HydrophobicContact CG2-CB 3.86Å; K429-N433 VanDerWaalsContact CG-ND2 3.25Å; K429-N433 WeakPolarHBondContact CG-ND2 3.5Å; K429-N433 WeakPolarHBondContact O-CB 3.27Å; K429-N433 PolarHBondContact O-N 3.03Å; K429-N433 PolarHBondContact O-ND2 3.47Å; F430-N433 PolarHBondContact O-N 2.96Å; I431-N433 VanDerWaalsContact C-N 3.35Å; I431-N433 PolarHBondContact O-N 2.8Å; N433-R435 PolarHBondContact O-N 2.85Å
434I40.4Very low43.7Very low17 Ų1765.3 Ų65.39%0.08735%0.352CS..G310 helixtrans-69.6-4.6172.2-79.1176.3000113.1V389 F430 I431 G436 T437 I442V389-I434 HydrophobicContact CG1-CD1 3.78Å; V389-I434 HydrophobicContact CG1-CG1 4.25Å; V389-I434 HydrophobicContact CG1-CG2 4.14Å; F430-I434 HydrophobicContact CD1-CD1 3.46Å; F430-I434 VanDerWaalsContact CD1-CD1 3.46Å; F430-I434 HydrophobicContact CD2-CD1 4.03Å; F430-I434 HydrophobicContact CE1-CD1 3.05Å; F430-I434 HydrophobicContact CE1-CG1 4.47Å; F430-I434 HydrophobicContact CE2-CD1 3.67Å; F430-I434 HydrophobicContact CG-CD1 3.91Å; F430-I434 HydrophobicContact CZ-CD1 3.13Å; F430-I434 HydrophobicContact CZ-CG1 4.46Å; F430-I434 WeakPolarHBondContact O-CB 3.5Å; F430-I434 WeakPolarHBondContact O-CG1 3.28Å; F430-I434 PolarHBondContact O-N 2.9Å; I431-I434 PolarHBondContact O-N 2.76Å; I434-G436 PolarHBondContact O-N 3.33Å; I434-T437 HydrophobicContact CG2-CG2 4.45Å; I434-T437 WeakPolarHBondContact CG2-OG1 3.27Å; I434-T437 WeakPolarHBondContact O-CA 3.39Å; I434-T437 PolarHBondContact O-N 2.95Å; I434-T437 VanDerWaalsContact O-O 3.1Å; I434-T437 PolarHBondContact O-OG1 2.94Å; I434-I442 HydrophobicContact CG2-CD1 4.28Å
435R41.9Very low44Very low211 Ų21164.3 Ų64.380%0.79634%0.344SS*.G310 helixtrans-52.4-17.2173.2-80.3-176.2162.3173.1-3.8115.2T432 N433 T437T432-R435 VanDerWaalsContact O-CB 3.32Å; T432-R435 WeakPolarHBondContact O-CB 3.43Å; T432-R435 VanDerWaalsContact O-CG 3.31Å; T432-R435 WeakPolarHBondContact O-CG 3.46Å; N433-R435 PolarHBondContact O-N 2.85Å; R435-T437 VanDerWaalsContact C-N 3.31Å
436G46.4Very low44.1Very low53 Ų5364 Ų6455%0.54635%0.348SS..G310 helixtrans-72.4-20.7170.200000114.5I434I434-G436 PolarHBondContact O-N 3.33Å
437T44.7Very low44.1Very low14 Ų1464.5 Ų64.59%0.08635%0.353CS..SBendtrans-94.7123.2171.577.30000106.5V389 I434 R435V389-T437 HydrophobicContact CG1-CG2 4.26Å; V389-T437 HydrophobicContact CG2-CG2 3.85Å; I434-T437 HydrophobicContact CG2-CG2 4.45Å; I434-T437 WeakPolarHBondContact CG2-OG1 3.27Å; I434-T437 WeakPolarHBondContact O-CA 3.39Å; I434-T437 PolarHBondContact O-N 2.95Å; I434-T437 VanDerWaalsContact O-O 3.1Å; I434-T437 PolarHBondContact O-OG1 2.94Å; R435-T437 VanDerWaalsContact C-N 3.31Å
438G38.1Very low43.9Very low42 Ų4264.3 Ų64.343%0.43335%0.352SS..  trans-52.7148.5-17800000111.9S440 T441G438-S440 PolarHBondContact O-N 3.3Å; G438-T441 WeakPolarHBondContact O-CB 3.31Å; G438-T441 PolarHBondContact O-N 2.64Å; G438-T441 PolarHBondContact O-OG1 3.34Å
439M37.8Very low43.8Very low130 Ų13064.8 Ų64.864%0.6435%0.35SS*.Hα-helixtrans-47.6-23.8173.4-103.1-82.2-76.800113.4T441 I442 Q443M439-T441 PolarHBondContact O-N 3.04Å; M439-I442 PolarHBondContact O-N 3.5Å; M439-Q443 WeakPolarHBondContact O-CG 3.41Å; M439-Q443 PolarHBondContact O-N 3.24Å; M439-Q443 VanDerWaalsContact O-N 3.09Å
440S41.7Very low43.9Very low66 Ų6666.6 Ų66.646%0.46236%0.36SS..Hα-helixtrans-55.4-33.7171.255.40000114.1G438 Q443 S444G438-S440 PolarHBondContact O-N 3.3Å; S440-Q443 PolarHBondContact O-N 3.18Å; S440-S444 PolarHBondContact O-N 2.87Å
441T41.3Very low43.8Very low8 Ų867.4 Ų67.45%0.04936%0.363CS..Hα-helixtrans-73.4-34.8-179.3-56.40000112V389 P390 G438 M439 S444V389-T441 HydrophobicContact CB-CG2 4.08Å; V389-T441 HydrophobicContact CG1-CG2 4.25Å; P390-T441 HydrophobicContact CG-CG2 4.19Å; G438-T441 WeakPolarHBondContact O-CB 3.31Å; G438-T441 PolarHBondContact O-N 2.64Å; G438-T441 PolarHBondContact O-OG1 3.34Å; M439-T441 PolarHBondContact O-N 3.04Å; T441-S444 PolarHBondContact O-OG 2.84Å
442I42.6Very low43.5Very low26 Ų2666.5 Ų66.513%0.13336%0.359CS..Hα-helixtrans-68.4-41172-75.6170.4000110.1I434 M439 S444 S445 L448 L452I434-I442 HydrophobicContact CG2-CD1 4.28Å; M439-I442 PolarHBondContact O-N 3.5Å; I442-S444 VanDerWaalsContact C-N 3.28Å; I442-S444 PolarHBondContact O-N 3.39Å; I442-S445 PolarHBondContact O-N 3.47Å; I442-L448 HydrophobicContact CG1-CD2 4.24Å; I442-L452 HydrophobicContact CB-CD1 4.24Å; I442-L452 HydrophobicContact CD1-CD1 4.1Å; I442-L452 HydrophobicContact CG1-CD1 4.07Å; I442-L452 HydrophobicContact CG2-CD1 3.23Å
443Q43.4Very low43.5Very low113 Ų11369 Ų6953%0.52837%0.367SS..Hα-helixtrans-66.9-25-179.2-74-177.6-17.900113.9M439 S440M439-Q443 WeakPolarHBondContact O-CG 3.41Å; M439-Q443 PolarHBondContact O-N 3.24Å; M439-Q443 VanDerWaalsContact O-N 3.09Å; S440-Q443 PolarHBondContact O-N 3.18Å
444S46.7Very low43.1Very low77 Ų7767.8 Ų67.854%0.53837%0.369SS..Hα-helixtrans-76.6-21.5-178.154.70000114.4S440 T441 I442S440-S444 PolarHBondContact O-N 2.87Å; T441-S444 PolarHBondContact O-OG 2.84Å; I442-S444 VanDerWaalsContact C-N 3.28Å; I442-S444 PolarHBondContact O-N 3.39Å
445S47.8Very low42.8Very low22 Ų2268.4 Ų68.415%0.15437%0.374CS..  trans-98.2109175.1175.80000109.8I442 V447 L448 K449I442-S445 PolarHBondContact O-N 3.47Å; S445-V447 PolarHBondContact O-N 3.3Å; S445-L448 PolarHBondContact O-N 3.43Å; S445-L448 WeakPolarHBondContact OG-CB 3.24Å; S445-L448 PolarHBondContact OG-N 3.44Å; S445-L448 VanDerWaalsContact OG-N 3.1Å; S445-K449 WeakPolarHBondContact O-CB 3.48Å; S445-K449 PolarHBondContact O-N 3.46Å
446Q49.9Very low42.3Very low136 Ų13662.4 Ų62.464%0.63637%0.37SS*.Hα-helixtrans-60.2-38176.1-171.3164.5-13.700111.4K449 E450Q446-K449 PolarHBondContact O-N 2.96Å; Q446-E450 HydrophobicContact CG-CG 4.23Å; Q446-E450 VanDerWaalsContact CG-OE1 3.31Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.46Å; Q446-E450 PolarHBondContact NE2-OE1 2.77Å; Q446-E450 VanDerWaalsContact O-CB 3.27Å; Q446-E450 WeakPolarHBondContact O-CB 3.26Å; Q446-E450 VanDerWaalsContact O-CG 3.3Å; Q446-E450 WeakPolarHBondContact O-CG 3.38Å; Q446-E450 PolarHBondContact O-N 3.12Å
447V48Very low41.6Very low56 Ų5665 Ų6534%0.33938%0.375SS..Hα-helixtrans-64-48.5176.2-179.80000111.7S445 K449 F451S445-V447 PolarHBondContact O-N 3.3Å; V447-K449 VanDerWaalsContact C-N 3.31Å; V447-K449 PolarHBondContact O-N 2.72Å; V447-F451 VanDerWaalsContact O-CB 3.32Å; V447-F451 WeakPolarHBondContact O-CB 3.47Å; V447-F451 PolarHBondContact O-N 3.02Å; V447-F451 VanDerWaalsContact O-N 3.1Å
448L43.9Very low41Very low12 Ų1267.5 Ų67.56%0.06339%0.39CS..Hα-helixtrans-67.7-34.3178.1-161.677.4000111.2P390 I442 S445 L452P390-L448 HydrophobicContact CB-CD2 4.47Å; I442-L448 HydrophobicContact CG1-CD2 4.24Å; S445-L448 PolarHBondContact O-N 3.43Å; S445-L448 WeakPolarHBondContact OG-CB 3.24Å; S445-L448 PolarHBondContact OG-N 3.44Å; S445-L448 VanDerWaalsContact OG-N 3.1Å; L448-L452 HydrophobicContact CD2-CD1 4.29Å; L448-L452 HydrophobicContact CG-CD1 4.06Å; L448-L452 WeakPolarHBondContact O-CB 3.41Å; L448-L452 WeakPolarHBondContact O-CD1 3.4Å; L448-L452 WeakPolarHBondContact O-CG 3.48Å; L448-L452 PolarHBondContact O-N 2.97Å
449K43.2Very low40.4Very low95 Ų9568 Ų6841%0.41340%0.395SS..Hα-helixtrans-72.9-46.1179.6-173-176.7-178.8-176.60112.4S445 Q446 V447 F451 L452 M453S445-K449 WeakPolarHBondContact O-CB 3.48Å; S445-K449 PolarHBondContact O-N 3.46Å; Q446-K449 PolarHBondContact O-N 2.96Å; V447-K449 VanDerWaalsContact C-N 3.31Å; V447-K449 PolarHBondContact O-N 2.72Å; K449-F451 PolarHBondContact O-N 2.72Å; K449-L452 PolarHBondContact O-N 2.77Å; K449-M453 VanDerWaalsContact O-CB 3.25Å; K449-M453 WeakPolarHBondContact O-CB 3.25Å; K449-M453 VanDerWaalsContact O-CG 3.3Å; K449-M453 WeakPolarHBondContact O-CG 3.28Å; K449-M453 PolarHBondContact O-N 3.34Å
450E45.7Very low39.9Very low117 Ų11767 Ų6755%0.54739%0.389SS..Hα-helixtrans-59.4-38.6173.7-77.8174.6-173.600110.3Q446 G454Q446-E450 HydrophobicContact CG-CG 4.23Å; Q446-E450 VanDerWaalsContact CG-OE1 3.31Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.46Å; Q446-E450 PolarHBondContact NE2-OE1 2.77Å; Q446-E450 VanDerWaalsContact O-CB 3.27Å; Q446-E450 WeakPolarHBondContact O-CB 3.26Å; Q446-E450 VanDerWaalsContact O-CG 3.3Å; Q446-E450 WeakPolarHBondContact O-CG 3.38Å; Q446-E450 PolarHBondContact O-N 3.12Å; E450-G454 PolarHBondContact O-N 3.44Å
451F44.2Very low39.4Very low46 Ų4668.6 Ų68.620%0.20239%0.391CS..Hα-helixtrans-64.9-52171.2173.5-101.7000113.1L397 I427 V447 K449 M453 G454 V455L397-F451 HydrophobicContact CD1-CD2 4.48Å; L397-F451 HydrophobicContact CD1-CE2 3.6Å; L397-F451 HydrophobicContact CD1-CZ 3.61Å; L397-F451 HydrophobicContact CD2-CD1 4.4Å; L397-F451 HydrophobicContact CD2-CD2 3.7Å; L397-F451 HydrophobicContact CD2-CE1 4.37Å; L397-F451 HydrophobicContact CD2-CE2 3.65Å; L397-F451 HydrophobicContact CD2-CG 4.07Å; L397-F451 HydrophobicContact CD2-CZ 3.98Å; L397-F451 HydrophobicContact CG-CE2 4.29Å; L397-F451 HydrophobicContact CG-CZ 4.42Å; I427-F451 HydrophobicContact CD1-CZ 3.72Å; I427-F451 HydrophobicContact CG1-CZ 4.17Å; I427-F451 HydrophobicContact CG2-CE1 4.22Å; I427-F451 HydrophobicContact CG2-CZ 4.44Å; V447-F451 VanDerWaalsContact O-CB 3.32Å; V447-F451 WeakPolarHBondContact O-CB 3.47Å; V447-F451 PolarHBondContact O-N 3.02Å; V447-F451 VanDerWaalsContact O-N 3.1Å; K449-F451 PolarHBondContact O-N 2.72Å; F451-M453 VanDerWaalsContact C-N 3.29Å; F451-M453 PolarHBondContact O-N 2.92Å; F451-G454 PolarHBondContact O-N 3.02Å; F451-G454 VanDerWaalsContact O-N 3.13Å; F451-V455 HydrophobicContact CD1-CG2 4.43Å; F451-V455 HydrophobicContact CD2-CG2 3.93Å; F451-V455 HydrophobicContact CE1-CG2 4.09Å; F451-V455 HydrophobicContact CE2-CG2 3.55Å; F451-V455 HydrophobicContact CG-CG2 4.37Å; F451-V455 HydrophobicContact CZ-CG2 3.65Å; F451-V455 WeakPolarHBondContact O-CB 3.13Å; F451-V455 WeakPolarHBondContact O-CG2 3.47Å; F451-V455 PolarHBondContact O-N 3.26Å
452L40Very low38.7Very low31 Ų3170.3 Ų70.316%0.16241%0.41CS..Hα-helixtrans-64.5-36.3-178-74.7167.6000112I431 I442 L448 K449 A456I431-L452 HydrophobicContact CD1-CD2 3.25Å; I431-L452 HydrophobicContact CG1-CD2 3.52Å; I442-L452 HydrophobicContact CB-CD1 4.24Å; I442-L452 HydrophobicContact CD1-CD1 4.1Å; I442-L452 HydrophobicContact CG1-CD1 4.07Å; I442-L452 HydrophobicContact CG2-CD1 3.23Å; L448-L452 HydrophobicContact CD2-CD1 4.29Å; L448-L452 HydrophobicContact CG-CD1 4.06Å; L448-L452 WeakPolarHBondContact O-CB 3.41Å; L448-L452 WeakPolarHBondContact O-CD1 3.4Å; L448-L452 WeakPolarHBondContact O-CG 3.48Å; L448-L452 PolarHBondContact O-N 2.97Å; K449-L452 PolarHBondContact O-N 2.77Å; L452-A456 WeakPolarHBondContact O-CB 3.49Å; L452-A456 PolarHBondContact O-N 2.93Å
453M41.7Very low38Very low116 Ų11674.8 Ų74.857%0.57144%0.439SS*.Hα-helixtrans-64.6-47.9170.4-78.2-73-5800111.1K449 F451 V455 A456 V457K449-M453 VanDerWaalsContact O-CB 3.25Å; K449-M453 WeakPolarHBondContact O-CB 3.25Å; K449-M453 VanDerWaalsContact O-CG 3.3Å; K449-M453 WeakPolarHBondContact O-CG 3.28Å; K449-M453 PolarHBondContact O-N 3.34Å; F451-M453 VanDerWaalsContact C-N 3.29Å; F451-M453 PolarHBondContact O-N 2.92Å; M453-V455 VanDerWaalsContact C-N 3.35Å; M453-V455 PolarHBondContact O-N 3.29Å; M453-A456 PolarHBondContact O-N 2.87Å; M453-V457 HydrophobicContact CE-CG2 4.41Å; M453-V457 VanDerWaalsContact O-CB 3.27Å; M453-V457 WeakPolarHBondContact O-CB 3.35Å; M453-V457 WeakPolarHBondContact O-CG2 3.5Å; M453-V457 PolarHBondContact O-N 2.69Å
454G35.4Very low37.1Very low36 Ų3674.5 Ų74.537%0.37145%0.45SS..Hα-helixtrans-56.1-49176.600000111.8E450 F451 T458E450-G454 PolarHBondContact O-N 3.44Å; F451-G454 PolarHBondContact O-N 3.02Å; F451-G454 VanDerWaalsContact O-N 3.13Å; G454-T458 VanDerWaalsContact O-N 3.15Å; G454-T458 PolarHBondContact O-OG1 2.89Å; G454-T458 PolarHBondContact O-N 2.87Å
455V34.4Very low36.1Very low29 Ų2979.4 Ų79.418%0.17646%0.464CS..Hα-helixtrans-70.7-41.9-178.6175.80000112.5I427 F451 M453 V457 G459I427-V455 HydrophobicContact CG2-CG1 4.42Å; F451-V455 HydrophobicContact CD1-CG2 4.43Å; F451-V455 HydrophobicContact CD2-CG2 3.93Å; F451-V455 HydrophobicContact CE1-CG2 4.09Å; F451-V455 HydrophobicContact CE2-CG2 3.55Å; F451-V455 HydrophobicContact CG-CG2 4.37Å; F451-V455 HydrophobicContact CZ-CG2 3.65Å; F451-V455 WeakPolarHBondContact O-CB 3.13Å; F451-V455 WeakPolarHBondContact O-CG2 3.47Å; F451-V455 PolarHBondContact O-N 3.26Å; M453-V455 VanDerWaalsContact C-N 3.35Å; M453-V455 PolarHBondContact O-N 3.29Å; V455-V457 VanDerWaalsContact C-N 3.33Å; V455-G459 PolarHBondContact O-N 2.87Å
456A30.9Very low35.1Very low86 Ų8683.9 Ų83.971%0.71150%0.496SS*.Hα-helixtrans-69.2-31.5179.900000112.7L452 M453L452-A456 WeakPolarHBondContact O-CB 3.49Å; L452-A456 PolarHBondContact O-N 2.93Å; M453-A456 PolarHBondContact O-N 2.87Å
457V32.6Very low33.9Very low108 Ų10886.3 Ų86.366%0.65550%0.504SS*.Hα-helixtrans-81-37.1-180173.90000111.8M453 V455M453-V457 HydrophobicContact CE-CG2 4.41Å; M453-V457 VanDerWaalsContact O-CB 3.27Å; M453-V457 WeakPolarHBondContact O-CB 3.35Å; M453-V457 WeakPolarHBondContact O-CG2 3.5Å; M453-V457 PolarHBondContact O-N 2.69Å; V455-V457 VanDerWaalsContact C-N 3.33Å
458T31.2Very low32.9Very low65 Ų6588.4 Ų88.440%0.39952%0.519SS..Hα-helixtrans-107.3-14.2-171.9610000115.5G454 Q460G454-T458 VanDerWaalsContact O-N 3.15Å; G454-T458 PolarHBondContact O-OG1 2.89Å; G454-T458 PolarHBondContact O-N 2.87Å; T458-Q460 PolarHBondContact O-N 2.81Å; T458-Q460 PolarHBondContact OG1-O 2.82Å
459G27.2Very low32Very low54 Ų5493.9 Ų93.956%0.55755%0.553SS**SBendtrans57.36.2-179.200000114.9V455V455-G459 PolarHBondContact O-N 2.87Å
460Q27.1Very low31.1Very low108 Ų10899.4 Ų99.451%0.50557%0.573SS.*SBendtrans-150.2135.4-175.7-69-169.6-6.200108.1T458 G462T458-Q460 PolarHBondContact O-N 2.81Å; T458-Q460 PolarHBondContact OG1-O 2.82Å; Q460-G462 PolarHBondContact O-N 2.68Å; Q460-G462 VanDerWaalsContact O-N 3.14Å; Q460-G462 VanDerWaalsContact C-N 3.34Å
461I30.8Very low30.2Very low99 Ų9999.3 Ų99.351%0.50858%0.584SS.*SBendtrans-77.193.8159.6-58.1-175.3000106L401 L423L401-I461 HydrophobicContact CD2-CD1 4.3Å; L423-I461 HydrophobicContact CD2-CD1 3.66Å; L423-I461 HydrophobicContact CD2-CG1 4.33Å
462G27.1Very low29.5Very low44 Ų44108.9 Ų108.945%0.45464%0.636SS.*  trans147.6127.1173.600000111.2Q460Q460-G462 PolarHBondContact O-N 2.68Å; Q460-G462 VanDerWaalsContact O-N 3.14Å; Q460-G462 VanDerWaalsContact C-N 3.34Å
463T26.1Very low28.9Very low120 Ų120112.8 Ų112.874%0.73666%0.66SS**  trans179.5101.4151.526.80000110
464S25Very low28.3Very low108 Ų108112.6 Ų112.676%0.75566%0.664SS**SBendtrans-171.3112.9156.2176.80000104.4
465Q26.8Very low27.9Very low179 Ų179116.9 Ų116.984%0.83668%0.68SS**  cis-147.71212.6-78.4167.44.300106.4
466S26.4Very low27.5Very low117 Ų117122.1 Ų122.182%0.81871%0.71SS**  trans-120.7105.115351.10000106.7
467K25.5Very low27.3Very low187 Ų187124.3 Ų124.381%0.81371%0.71SS**  trans-56.4131.6172.4-84.4178.3173.91770108.2T469K467-T469 PolarHBondContact O-N 3.44Å
468P26.6Very low26.9Very low100 Ų100125.4 Ų125.465%0.64971%0.714SS**  trans-70.4104.1170.427.5-29.3000107.9Y470P468-Y470 HydrophobicContact CB-CD2 4.38Å; P468-Y470 HydrophobicContact CB-CE2 4.05Å; P468-Y470 HydrophobicContact CG-CE2 4.09Å; P468-Y470 PolarHBondContact O-N 3.16Å
469T24.5Very low26.6Very low126 Ų126129.7 Ų129.777%0.77374%0.736SS**  trans-69.996.4166.8-17.10000107K467 C471K467-T469 PolarHBondContact O-N 3.44Å; T469-C471 PolarHBondContact O-N 3.29Å
470Y23.8Very low26.6Very low211 Ų211135.5 Ų135.583%0.82775%0.75SS**  trans-71.1101.4161.4-72.2-87.4000107P468 L472P468-Y470 HydrophobicContact CB-CD2 4.38Å; P468-Y470 HydrophobicContact CB-CE2 4.05Å; P468-Y470 HydrophobicContact CG-CE2 4.09Å; P468-Y470 PolarHBondContact O-N 3.16Å; Y470-L472 PolarHBondContact O-N 2.97Å
471C27.6Very low26.5Very low116 Ų116137.8 Ų137.878%0.78477%0.771SS**  trans-77.1113.8160.4-67.80000107.4T469T469-C471 PolarHBondContact O-N 3.29Å
472L28.3Very low26.1Very low247 Ų247141.4 Ų141.4100%1.29380%0.795SS**  trans-71.70149.2-87.1163.5000109.4Y470Y470-L472 PolarHBondContact O-N 2.97Å

Retrieved 472 of 472 residues in 633.5 ms (Link to these results)

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