A0A096NMW6_PAPAN Loading...

Mortality factor 4 like 1

AlphaFold DB (A0A2K5UEY5), UniProt , Accession A0A096NMW6, Species PAPAN (Papio anubis, Olive baboon), Gene MORF4L1, Length 362 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
1M45Very low67.3Low242 Ų242126.2 Ų126.2100%1.19265%0.654SS**  0116.10-83.9157.46400107.7
2A49.4Very low69Low93 Ų93128 Ų12877%0.76966%0.657SS**  trans-66.9137.517300000109.2K4A2-K4 PolarHBondContact O-N 3.33Å
3P52.6Low70.4Confident119 Ų119127.5 Ų127.577%0.77365%0.65SS**  trans-64.6124.7176.725.7-30.9000109Q5P3-Q5 PolarHBondContact O-N 3.14Å; P3-Q5 VanDerWaalsContact O-N 3.14Å
4K58.8Low71.2Confident198 Ų198121.5 Ų121.586%0.86164%0.635SS**  trans-66.6111172.9-73.4-179.1177.9176.30107.4A2A2-K4 PolarHBondContact O-N 3.33Å
5Q59.8Low72.4Confident187 Ų187117.5 Ų117.587%0.87461%0.612SS**PPolyproline II helixtrans-63.4138.8177.6-71.3178.2-10.200110.6P3P3-Q5 PolarHBondContact O-N 3.14Å; P3-Q5 VanDerWaalsContact O-N 3.14Å
6D66.7Low73.3Confident125 Ų125119.2 Ų119.267%0.66861%0.608SS**PPolyproline II helixtrans-64.6148173.6-71.3-49.2000111.3K8D6-K8 PolarHBondContact O-N 2.99Å
7P71.9Confident74.4Confident46 Ų46112.2 Ų112.230%0.29957%0.572SS.*PPolyproline II helixtrans-64.3122-17826.3-34000110.7I35 K38 V40P7-I35 HydrophobicContact CG-CG2 4.27Å; P7-K38 WeakPolarHBondContact CG-O 3.38Å; P7-V40 HydrophobicContact CB-CG2 4.13Å; P7-V40 HydrophobicContact CG-CG2 4.31Å
8K79.3Confident75.1Confident186 Ų186105.9 Ų105.981%0.80954%0.54SS*.PPolyproline II helixtrans-78.3128177.7-171.7175.8-178.5176.40110.2D6D6-K8 PolarHBondContact O-N 2.99Å
9P83.6Confident75.8Confident52 Ų52100.4 Ų100.434%0.33851%0.512SS..PPolyproline II helixtrans-64.6136.4177.826.3-33.7000111.4V33 V40 Y42P9-V33 HydrophobicContact CB-CG1 3.77Å; P9-V33 HydrophobicContact CG-CG1 4.34Å; P9-V40 HydrophobicContact CB-CG1 3.81Å; P9-Y42 WeakPolarHBondContact CA-OH 3.47Å; P9-Y42 HydrophobicContact CB-CE1 4.35Å
10K84.3Confident76Confident130 Ų13096.8 Ų96.857%0.56549%0.493SS*.SBendtrans-77.4-23.3176.8-72.9179.6-172.6136.70114.8Y42 E98K10-Y42 PolarHBondContact N-OH 3.09Å; K10-E98 VanDerWaalsContact CB-OE1 3.25Å; K10-E98 WeakPolarHBondContact CB-OE1 3.33Å; K10-E98 VanDerWaalsContact CD-CD 3.44Å; K10-E98 HydrophobicContact CD-CG 4.02Å; K10-E98 WeakPolarHBondContact CD-OE1 3.4Å; K10-E98 VanDerWaalsContact CE-OE2 3.28Å; K10-E98 WeakPolarHBondContact CE-OE2 3.42Å; K10-E98 WeakPolarHBondContact CG-OE1 3.36Å; K10-E98 PolarHBondContact N-OE1 3.39Å; K10-E98 IonicContact NZ-OE2 3.27Å; K10-E98 PolarHBondContact NZ-OE2 3.01Å
11F89.4Confident75.9Confident10 Ų1095.4 Ų95.44%0.04448%0.484CS..SBendtrans-125.8151.6-177-52-82.1000111.2E15 V17 Y42 V101 K103F11-E15 WeakPolarHBondContact CA-OE2 3.48Å; F11-V17 HydrophobicContact CB-CG1 4.49Å; F11-V17 HydrophobicContact CD1-CG1 3.58Å; F11-V17 HydrophobicContact CE1-CG1 3.99Å; F11-V17 HydrophobicContact CG-CG1 4.15Å; F11-Y42 HydrophobicContact CB-CD1 4.16Å; F11-Y42 HydrophobicContact CB-CE1 3.7Å; F11-Y42 HydrophobicContact CD2-CD2 4.39Å; F11-Y42 HydrophobicContact CD2-CE1 4.01Å; F11-Y42 AromaticContact CD2-CE2 3.85Å; F11-Y42 HydrophobicContact CD2-CE2 3.85Å; F11-Y42 AromaticContact CD2-CZ 3.62Å; F11-Y42 HydrophobicContact CE2-CE2 4.49Å; F11-Y42 HydrophobicContact CG-CE1 4.37Å; F11-Y42 PolarHBondContact N-OH 3.12Å; F11-V101 HydrophobicContact CD1-CG1 4.36Å; F11-V101 HydrophobicContact CD2-CB 4.13Å; F11-V101 HydrophobicContact CD2-CG1 3.82Å; F11-V101 HydrophobicContact CE1-CG1 4.14Å; F11-V101 HydrophobicContact CE2-CB 3.69Å; F11-V101 HydrophobicContact CE2-CG1 3.63Å; F11-V101 WeakPolarHBondContact CE2-O 3.42Å; F11-V101 HydrophobicContact CG-CG1 4.2Å; F11-V101 HydrophobicContact CZ-CB 4.14Å; F11-V101 HydrophobicContact CZ-CG1 3.8Å; F11-V101 VanDerWaalsContact CZ-O 3.26Å; F11-V101 WeakPolarHBondContact CZ-O 3.37Å; F11-K103 HydrophobicContact CD1-CG 4.23Å; F11-K103 HydrophobicContact CE1-CB 4.25Å; F11-K103 HydrophobicContact CE1-CG 3.44Å; F11-K103 VanDerWaalsContact CE1-CG 3.44Å; F11-K103 HydrophobicContact CZ-CG 4.22Å
12Q87.6Confident77.3Confident148 Ų14885.1 Ų85.169%0.69244%0.441SS*.  trans-106.1156.8178.7-62.3-17716.400112.3G14 E15 C30Q12-G14 PolarHBondContact O-N 3Å; Q12-E15 PolarHBondContact N-OE2 2.93Å; Q12-E15 WeakPolarHBondContact O-CB 3.49Å; Q12-E15 PolarHBondContact O-N 3.28Å; Q12-E15 VanDerWaalsContact O-N 3.09Å; Q12-C30 WeakPolarHBondContact O-CB 3.35Å
13E87.6Confident78.6Confident122 Ų12283.8 Ų83.857%0.5742%0.424SS*.THydrogen-bonded Turntrans-60133.7172.2-58.3-170.3164.400110.3E15 K32 V33E13-E15 VanDerWaalsContact C-N 3.33Å; E13-K32 WeakPolarHBondContact OE1-CA 3.17Å; E13-V33 HydrophobicContact CG-CB 4.46Å; E13-V33 HydrophobicContact CG-CG2 3.82Å; E13-V33 PolarHBondContact OE1-N 2.84Å
14G81.4Confident79.8Confident43 Ų4379.4 Ų79.444%0.44339%0.394SS..THydrogen-bonded Turntrans88.3-12.5-174.200000115.1Q12 K29 C30Q12-G14 PolarHBondContact O-N 3Å; G14-K29 WeakPolarHBondContact O-CE 3.46Å; G14-C30 VanDerWaalsContact CA-O 3.32Å; G14-C30 WeakPolarHBondContact CA-O 3.25Å; G14-C30 PolarHBondContact N-O 3.14Å
15E88.3Confident81Confident62 Ų6270 Ų7029%0.2935%0.353SS..  trans-69.5139.2-176-167.2175.8165.800112.1F11 Q12 E13 V17 C30F11-E15 WeakPolarHBondContact CA-OE2 3.48Å; Q12-E15 PolarHBondContact N-OE2 2.93Å; Q12-E15 WeakPolarHBondContact O-CB 3.49Å; Q12-E15 PolarHBondContact O-N 3.28Å; Q12-E15 VanDerWaalsContact O-N 3.09Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E15-V17 HydrophobicContact CG-CG1 4.41Å; E15-C30 PolarHBondContact O-N 3.24Å
16R87.6Confident82Confident144 Ų14464.7 Ų64.754%0.54333%0.325SS..EExtended strand (participates in β ladder)trans-80.4128.5173.5-170.7179.6-67.3-157.911.3109.4E27 Y104R16-E27 VanDerWaalsContact CD-OE1 3.25Å; R16-E27 WeakPolarHBondContact CD-OE1 3.41Å; R16-E27 HydrophobicContact CG-CG 4.37Å; R16-E27 IonicContact CZ-OE1 3.91Å; R16-E27 IonicContact NE-OE1 2.75Å; R16-E27 PolarHBondContact NE-OE1 3.24Å; R16-E27 IonicContact NH1-OE1 3.34Å; R16-E27 PolarHBondContact NH1-OE1 3.42Å; R16-Y104 HydrophobicContact CG-CD2 3.9Å; R16-Y104 HydrophobicContact CG-CE2 4.35Å; R16-Y104 HydrophobicContact CG-CG 4.09Å; R16-Y104 WeakPolarHBondContact O-CB 3.34Å
17V91.3Very high83Confident0 Ų061.2 Ų61.20%031%0.305CS..EExtended strand (participates in β ladder)trans-136.3165.3-173.6-630000110.4F11 E15 A28 I44 V101 L102F11-V17 HydrophobicContact CB-CG1 4.49Å; F11-V17 HydrophobicContact CD1-CG1 3.58Å; F11-V17 HydrophobicContact CE1-CG1 3.99Å; F11-V17 HydrophobicContact CG-CG1 4.15Å; E15-V17 HydrophobicContact CG-CG1 4.41Å; V17-A28 HydrophobicContact CG2-CB 4.26Å; V17-A28 PolarHBondContact N-O 2.93Å; V17-A28 PolarHBondContact O-N 3.4Å; V17-I44 HydrophobicContact CG2-CD1 4.02Å; V17-V101 HydrophobicContact CB-CG1 3.56Å; V17-V101 HydrophobicContact CG1-CG1 3.79Å; V17-V101 HydrophobicContact CG2-CG1 3.68Å; V17-L102 WeakPolarHBondContact CB-O 3.39Å
18L87.3Confident83.9Confident0 Ų059 Ų590%029%0.291CS..EExtended strand (participates in β ladder)trans-104.2123.9165.6-67.4168.2000107.5L25 Y26 E27 L102 Y104 N108 L109L18-L25 HydrophobicContact CB-CD2 4.06Å; L18-Y26 CarbonylContact C-O 3.58Å; L18-Y26 WeakPolarHBondContact CA-O 3.28Å; L18-E27 HydrophobicContact CD2-CB 4.5Å; L18-L102 HydrophobicContact CB-CB 4.23Å; L18-L102 PolarHBondContact N-O 3.13Å; L18-L102 PolarHBondContact O-N 3.15Å; L18-Y104 HydrophobicContact CD2-CD2 3.99Å; L18-Y104 HydrophobicContact CD2-CE2 4.13Å; L18-Y104 HydrophobicContact CG-CD2 3.96Å; L18-N108 HydrophobicContact CD1-CB 3.6Å; L18-L109 HydrophobicContact CD1-CG 4.31Å
19C88.1Confident84.3Confident0 Ų055.2 Ų55.20%028%0.275CS..EExtended strand (participates in β ladder)trans-115.2133.5-179.2-171.70000110.3Y26 A28 I44 Y46 R100C19-Y26 PolarHBondContact N-O 2.9Å; C19-Y26 PolarHBondContact O-N 3.24Å; C19-A28 HydrophobicContact CB-CB 3.92Å; C19-I44 HydrophobicContact CB-CG2 3.8Å; C19-Y46 HydrophobicContact CB-CD1 4.47Å; C19-Y46 HydrophobicContact CB-CE1 3.68Å; C19-Y46 PolarHBondContact SG-OH 3.17Å; C19-R100 WeakPolarHBondContact CA-O 3.3Å
20F80.9Confident84.6Confident29 Ų2952.8 Ų52.813%0.12726%0.259CS..EExtended strand (participates in β ladder)trans-69.5129.7173.7-82-75.7000110.2L25 Y46 R100 L102 L115F20-L25 HydrophobicContact CB-CD2 4.49Å; F20-L25 HydrophobicContact CD1-CD2 3.78Å; F20-L25 HydrophobicContact CD1-CG 3.83Å; F20-L25 HydrophobicContact CD2-CD2 3.64Å; F20-L25 HydrophobicContact CD2-CG 4.47Å; F20-L25 HydrophobicContact CE1-CD1 4.09Å; F20-L25 HydrophobicContact CE1-CD2 3.82Å; F20-L25 HydrophobicContact CE1-CG 3.57Å; F20-L25 HydrophobicContact CE2-CD2 3.68Å; F20-L25 HydrophobicContact CE2-CG 4.25Å; F20-L25 HydrophobicContact CG-CD2 3.69Å; F20-L25 HydrophobicContact CG-CG 4.28Å; F20-L25 HydrophobicContact CZ-CD1 3.93Å; F20-L25 HydrophobicContact CZ-CD2 3.76Å; F20-L25 HydrophobicContact CZ-CG 3.8Å; F20-Y46 PolarHBondContact O-OH 3.09Å; F20-R100 PolarHBondContact N-O 3.37Å; F20-R100 PolarHBondContact O-NE 3.13Å; F20-R100 VanDerWaalsContact O-NE 3.1Å; F20-R100 PolarHBondContact O-NH2 2.92Å; F20-L102 HydrophobicContact CE2-CD1 3.78Å; F20-L102 HydrophobicContact CE2-CG 4.16Å; F20-L102 HydrophobicContact CZ-CD1 4.22Å; F20-L115 HydrophobicContact CE1-CD1 3.85Å; F20-L115 HydrophobicContact CZ-CD1 4.46Å
21H74.1Confident84.7Confident67 Ų6749 Ų4931%0.3125%0.247SC..EExtended strand (participates in β ladder)trans-133107.3167.4-171.485.9000107.7L24 Y26 Y46 W92 E94H21-L24 PolarHBondContact N-O 2.76Å; H21-L24 PolarHBondContact O-N 2.89Å; H21-Y26 HydrophobicContact CB-CD2 3.6Å; H21-Y26 HydrophobicContact CB-CE2 3.73Å; H21-Y26 WeakPolarHBondContact O-CE2 3.26Å; H21-Y46 HydrophobicContact CB-CE1 3.97Å; H21-W92 AromaticContact CE1-CZ3 3.94Å; H21-W92 AromaticContact NE2-CZ3 3.91Å; H21-E94 IonicContact ND1-OE1 2.72Å
22G74.4Confident84.6Confident27 Ų2754 Ų5428%0.27827%0.268SS..THydrogen-bonded Turntrans59.4-138.6-164.100000111.7L24G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3.36Å
23P74.9Confident84.7Confident65 Ų6548.7 Ų48.742%0.42225%0.246SC..THydrogen-bonded Turntrans-81-4.2-176.532.8-34.5000113.9
24L79.3Confident84.6Confident27 Ų2744.6 Ų44.614%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-111.6150.1-173.4-62.3-179.2000111.5H21 G22 Y26 L115 Q116 N119H21-L24 PolarHBondContact N-O 2.76Å; H21-L24 PolarHBondContact O-N 2.89Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3.36Å; L24-Y26 HydrophobicContact CB-CD2 4.4Å; L24-Y26 HydrophobicContact CB-CE2 3.66Å; L24-L115 HydrophobicContact CD2-CB 4.1Å; L24-Q116 HydrophobicContact CD2-CG 4.11Å; L24-N119 HydrophobicContact CD2-CB 4.18Å
25L82.4Confident84.9Confident0 Ų046.7 Ų46.70%023%0.233CC..EExtended strand (participates in β ladder)trans-91.1134.5169.8-79.3163.5000109.5L18 F20 L102 K111 Q112 L115L18-L25 HydrophobicContact CB-CD2 4.06Å; F20-L25 HydrophobicContact CB-CD2 4.49Å; F20-L25 HydrophobicContact CD1-CD2 3.78Å; F20-L25 HydrophobicContact CD1-CG 3.83Å; F20-L25 HydrophobicContact CD2-CD2 3.64Å; F20-L25 HydrophobicContact CD2-CG 4.47Å; F20-L25 HydrophobicContact CE1-CD1 4.09Å; F20-L25 HydrophobicContact CE1-CD2 3.82Å; F20-L25 HydrophobicContact CE1-CG 3.57Å; F20-L25 HydrophobicContact CE2-CD2 3.68Å; F20-L25 HydrophobicContact CE2-CG 4.25Å; F20-L25 HydrophobicContact CG-CD2 3.69Å; F20-L25 HydrophobicContact CG-CG 4.28Å; F20-L25 HydrophobicContact CZ-CD1 3.93Å; F20-L25 HydrophobicContact CZ-CD2 3.76Å; F20-L25 HydrophobicContact CZ-CG 3.8Å; L25-L102 HydrophobicContact CD1-CD1 3.87Å; L25-L102 HydrophobicContact CD2-CD1 3.91Å; L25-L102 HydrophobicContact CD2-CG 4.44Å; L25-K111 HydrophobicContact CD1-CB 4.37Å; L25-K111 HydrophobicContact CD1-CD 4.33Å; L25-K111 HydrophobicContact CD1-CG 4.19Å; L25-Q112 HydrophobicContact CB-CB 3.89Å; L25-Q112 HydrophobicContact CB-CG 3.98Å; L25-Q112 HydrophobicContact CD1-CB 4.36Å; L25-Q112 WeakPolarHBondContact O-CG 3.17Å; L25-Q112 PolarHBondContact O-NE2 3.27Å; L25-L115 HydrophobicContact CD1-CD1 3.98Å; L25-L115 HydrophobicContact CG-CD1 4.21Å
26Y82.4Confident84.4Confident75 Ų7550.3 Ų50.329%0.29425%0.248SC..EExtended strand (participates in β ladder)trans-120.6146.7175.2-65.9-92.3000109.9L18 C19 H21 L24 A28 Y46L18-Y26 CarbonylContact C-O 3.58Å; L18-Y26 WeakPolarHBondContact CA-O 3.28Å; C19-Y26 PolarHBondContact N-O 2.9Å; C19-Y26 PolarHBondContact O-N 3.24Å; H21-Y26 HydrophobicContact CB-CD2 3.6Å; H21-Y26 HydrophobicContact CB-CE2 3.73Å; H21-Y26 WeakPolarHBondContact O-CE2 3.26Å; L24-Y26 HydrophobicContact CB-CD2 4.4Å; L24-Y26 HydrophobicContact CB-CE2 3.66Å; Y26-A28 PolarHBondContact O-N 2.75Å; Y26-Y46 HydrophobicContact CG-CD1 4.48Å
27E88Confident83.9Confident53 Ų5350 Ų5025%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-66.5133.8169.6-175.2174173.300109.1R16 L18 S47 Y104R16-E27 VanDerWaalsContact CD-OE1 3.25Å; R16-E27 WeakPolarHBondContact CD-OE1 3.41Å; R16-E27 HydrophobicContact CG-CG 4.37Å; R16-E27 IonicContact CZ-OE1 3.91Å; R16-E27 IonicContact NE-OE1 2.75Å; R16-E27 PolarHBondContact NE-OE1 3.24Å; R16-E27 IonicContact NH1-OE1 3.34Å; R16-E27 PolarHBondContact NH1-OE1 3.42Å; L18-E27 HydrophobicContact CD2-CB 4.5Å; E27-S47 WeakPolarHBondContact O-CB 2.93Å; E27-S47 PolarHBondContact O-N 2.83Å; E27-Y104 HydrophobicContact CB-CE2 4.49Å; E27-Y104 HydrophobicContact CG-CD2 4.39Å; E27-Y104 HydrophobicContact CG-CE2 3.84Å
28A89.6Confident83.2Confident0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-149170-178.400000111.2V17 C19 Y26 I44 H45 Y46V17-A28 HydrophobicContact CG2-CB 4.26Å; V17-A28 PolarHBondContact N-O 2.93Å; V17-A28 PolarHBondContact O-N 3.4Å; C19-A28 HydrophobicContact CB-CB 3.92Å; Y26-A28 PolarHBondContact O-N 2.75Å; A28-I44 HydrophobicContact CB-CG2 3.35Å; A28-H45 CarbonylContact C-O 3.59Å; A28-H45 WeakPolarHBondContact CA-O 3.47Å; A28-H45 WeakPolarHBondContact CB-O 3.2Å; A28-Y46 HydrophobicContact CB-CD1 3.99Å; A28-Y46 HydrophobicContact CB-CE1 4.5Å; A28-Y46 HydrophobicContact CB-CG 4.4Å
29K88.1Confident82.7Confident106 Ų10663.1 Ų63.146%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-120.2130177.2-171.9175179-179.10109.1G14 V31 I44 H45G14-K29 WeakPolarHBondContact O-CE 3.46Å; K29-V31 PolarHBondContact O-N 2.95Å; K29-I44 WeakPolarHBondContact O-CA 3.4Å; K29-H45 PolarHBondContact N-O 2.84Å; K29-H45 PolarHBondContact O-N 2.97Å
30C88.9Confident82.6Confident0 Ų063.6 Ų63.60%032%0.319CS..EExtended strand (participates in β ladder)trans-70.6119.5167.4-176.30000108.4Q12 G14 E15 I44Q12-C30 WeakPolarHBondContact O-CB 3.35Å; G14-C30 VanDerWaalsContact CA-O 3.32Å; G14-C30 WeakPolarHBondContact CA-O 3.25Å; G14-C30 PolarHBondContact N-O 3.14Å; E15-C30 PolarHBondContact O-N 3.24Å; C30-I44 HydrophobicContact CB-CD1 4.19Å
31V87.3Confident82.9Confident52 Ų5266 Ų6632%0.31533%0.329SS..EExtended strand (participates in β ladder)trans-101.1-41-177.1-1780000110.8K29 F43 H45K29-V31 PolarHBondContact O-N 2.95Å; V31-F43 HydrophobicContact CB-CD1 3.87Å; V31-F43 HydrophobicContact CG1-CD1 4.02Å; V31-F43 PolarHBondContact N-O 2.97Å; V31-H45 HydrophobicContact CG2-CB 3.54Å
32K86.6Confident83.6Confident114 Ų11462.9 Ų62.950%0.49631%0.314SS..EExtended strand (participates in β ladder)trans-141.2152.1177.4-62-176.5177.1176.60112.1E13 Y42 F43 W95E13-K32 WeakPolarHBondContact OE1-CA 3.17Å; K32-Y42 CarbonylContact O-C 3.53Å; K32-Y42 WeakPolarHBondContact O-CA 3.43Å; K32-F43 HydrophobicContact CB-CB 3.78Å; K32-F43 HydrophobicContact CG-CB 4.46Å; K32-F43 PolarHBondContact N-O 3.46Å; K32-F43 PolarHBondContact O-N 2.85Å; K32-W95 HydrophobicContact CB-CH2 3.73Å; K32-W95 HydrophobicContact CB-CZ2 4.35Å; K32-W95 HydrophobicContact CB-CZ3 4.39Å
33V89.3Confident84.3Confident37 Ų3763.7 Ų63.722%0.22431%0.311CS..EExtended strand (participates in β ladder)trans-118.4130.6172.1-171.40000109.9P9 E13 V40 Y42P9-V33 HydrophobicContact CB-CG1 3.77Å; P9-V33 HydrophobicContact CG-CG1 4.34Å; E13-V33 HydrophobicContact CG-CB 4.46Å; E13-V33 HydrophobicContact CG-CG2 3.82Å; E13-V33 PolarHBondContact OE1-N 2.84Å; V33-V40 HydrophobicContact CG1-CG1 3.94Å; V33-Y42 HydrophobicContact CB-CD1 4.42Å; V33-Y42 HydrophobicContact CB-CE1 4.47Å; V33-Y42 HydrophobicContact CG1-CD1 4.13Å; V33-Y42 HydrophobicContact CG1-CE1 3.82Å; V33-Y42 HydrophobicContact CG2-CD1 3.83Å; V33-Y42 HydrophobicContact CG2-CE1 3.91Å
34A86.4Confident84.9Confident36 Ų3660.6 Ų60.630%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-130.8137.9175.200000110.9K41 W95A34-K41 PolarHBondContact N-O 2.97Å; A34-K41 PolarHBondContact O-N 3.37Å; A34-W95 HydrophobicContact CB-CE3 4.35Å; A34-W95 HydrophobicContact CB-CH2 3.59Å; A34-W95 HydrophobicContact CB-CZ3 3.47Å; A34-W95 VanDerWaalsContact CB-CZ3 3.47Å
35I86.7Confident85.2Confident87 Ų8761.8 Ų61.845%0.44630%0.295SS..EExtended strand (participates in β ladder)trans-109.8109.3172.5-52.8177.8000107.1P7 Q39 V40P7-I35 HydrophobicContact CG-CG2 4.27Å; I35-Q39 WeakPolarHBondContact CA-O 3.36Å; I35-V40 HydrophobicContact CG1-CG2 4.33Å
36K78.5Confident85.1Confident138 Ų13863.2 Ų63.260%0.630%0.301SS*.EExtended strand (participates in β ladder)trans-127.5134.4178-164.6-179.5176.3178.10108.7K38 Q39K36-K38 PolarHBondContact O-N 2.91Å; K36-Q39 PolarHBondContact N-O 3.31Å; K36-Q39 PolarHBondContact O-N 3.33Å; K36-Q39 VanDerWaalsContact O-O 3.1Å
37D77.3Confident84.6Confident136 Ų13661.9 Ų61.973%0.72730%0.302SS*.THydrogen-bonded Turntrans54.635.4178.4-51.5-44.9000114.2Q39D37-Q39 PolarHBondContact O-N 3.34Å
38K77.2Confident82.8Confident158 Ų15862.4 Ų62.469%0.68732%0.322SS*.THydrogen-bonded Turntrans6024.6-173.5-54.5175.3177.7172.10114P7 K36P7-K38 WeakPolarHBondContact CG-O 3.38Å; K36-K38 PolarHBondContact O-N 2.91Å
39Q77Confident80.4Confident118 Ų11872.4 Ų72.455%0.55136%0.36SS*.EExtended strand (participates in β ladder)trans-118.2135.2170.6-66.9-175.9-19.800110.1I35 K36 D37I35-Q39 WeakPolarHBondContact CA-O 3.36Å; K36-Q39 PolarHBondContact N-O 3.31Å; K36-Q39 PolarHBondContact O-N 3.33Å; K36-Q39 VanDerWaalsContact O-O 3.1Å; D37-Q39 PolarHBondContact O-N 3.34Å
40V86.1Confident78Confident11 Ų1174 Ų747%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-87.6127.8175.4-171.30000109P7 P9 V33 I35 Y42 E98P7-V40 HydrophobicContact CB-CG2 4.13Å; P7-V40 HydrophobicContact CG-CG2 4.31Å; P9-V40 HydrophobicContact CB-CG1 3.81Å; V33-V40 HydrophobicContact CG1-CG1 3.94Å; I35-V40 HydrophobicContact CG1-CG2 4.33Å; V40-Y42 HydrophobicContact CB-CE2 4.48Å; V40-Y42 HydrophobicContact CG1-CE1 3.99Å; V40-Y42 HydrophobicContact CG1-CE2 3.78Å; V40-Y42 VanDerWaalsContact CG1-CZ 3.45Å; V40-Y42 WeakPolarHBondContact CG1-OH 3.45Å; V40-E98 PolarHBondContact O-N 3.1Å
41K87.4Confident75.5Confident80 Ų8082.7 Ų82.735%0.34841%0.411SS..EExtended strand (participates in β ladder)trans-121.6146.9173.9-64.4-173.1179.7-176.90110.1A34 W95 V96A34-K41 PolarHBondContact N-O 2.97Å; A34-K41 PolarHBondContact O-N 3.37Å; K41-W95 HydrophobicContact CB-CE3 3.95Å; K41-W95 HydrophobicContact CB-CZ3 4.49Å; K41-V96 CarbonylContact C-O 3.6Å; K41-V96 WeakPolarHBondContact CA-O 3.47Å
42Y88.4Confident72.9Confident0 Ų090.6 Ų90.60%044%0.441CS..EExtended strand (participates in β ladder)trans-120131.5179.9-58.1-80.7000109P9 K10 F11 K32 V33 V40 W95 V96 E98 V101P9-Y42 WeakPolarHBondContact CA-OH 3.47Å; P9-Y42 HydrophobicContact CB-CE1 4.35Å; K10-Y42 PolarHBondContact N-OH 3.09Å; F11-Y42 HydrophobicContact CB-CD1 4.16Å; F11-Y42 HydrophobicContact CB-CE1 3.7Å; F11-Y42 HydrophobicContact CD2-CD2 4.39Å; F11-Y42 HydrophobicContact CD2-CE1 4.01Å; F11-Y42 AromaticContact CD2-CE2 3.85Å; F11-Y42 HydrophobicContact CD2-CE2 3.85Å; F11-Y42 AromaticContact CD2-CZ 3.62Å; F11-Y42 HydrophobicContact CE2-CE2 4.49Å; F11-Y42 HydrophobicContact CG-CE1 4.37Å; F11-Y42 PolarHBondContact N-OH 3.12Å; K32-Y42 CarbonylContact O-C 3.53Å; K32-Y42 WeakPolarHBondContact O-CA 3.43Å; V33-Y42 HydrophobicContact CB-CD1 4.42Å; V33-Y42 HydrophobicContact CB-CE1 4.47Å; V33-Y42 HydrophobicContact CG1-CD1 4.13Å; V33-Y42 HydrophobicContact CG1-CE1 3.82Å; V33-Y42 HydrophobicContact CG2-CD1 3.83Å; V33-Y42 HydrophobicContact CG2-CE1 3.91Å; V40-Y42 HydrophobicContact CB-CE2 4.48Å; V40-Y42 HydrophobicContact CG1-CE1 3.99Å; V40-Y42 HydrophobicContact CG1-CE2 3.78Å; V40-Y42 VanDerWaalsContact CG1-CZ 3.45Å; V40-Y42 WeakPolarHBondContact CG1-OH 3.45Å; Y42-W95 CarbonylContact O-C 3.55Å; Y42-W95 WeakPolarHBondContact O-CA 3.25Å; Y42-V96 PolarHBondContact N-O 2.93Å; Y42-V96 PolarHBondContact O-N 3.41Å; Y42-E98 HydrophobicContact CD2-CB 4.44Å; Y42-E98 HydrophobicContact CE2-CB 3.71Å; Y42-E98 HydrophobicContact CE2-CG 3.79Å; Y42-E98 PolarHBondContact OH-OE1 2.8Å; Y42-V101 HydrophobicContact CD2-CG2 4.11Å; Y42-V101 HydrophobicContact CG-CG2 4.48Å
43F88.1Confident70.1Confident45 Ų4590.3 Ų90.320%0.19745%0.453CS..EExtended strand (participates in β ladder)trans-83.6116.9167.7-165.9-116.8000107.6V31 K32 D93 E94 W95V31-F43 HydrophobicContact CB-CD1 3.87Å; V31-F43 HydrophobicContact CG1-CD1 4.02Å; V31-F43 PolarHBondContact N-O 2.97Å; K32-F43 HydrophobicContact CB-CB 3.78Å; K32-F43 HydrophobicContact CG-CB 4.46Å; K32-F43 PolarHBondContact N-O 3.46Å; K32-F43 PolarHBondContact O-N 2.85Å; F43-D93 HydrophobicContact CE1-CB 3.71Å; F43-D93 HydrophobicContact CE2-CB 4.04Å; F43-D93 HydrophobicContact CZ-CB 3.36Å; F43-E94 WeakPolarHBondContact CA-O 3.45Å; F43-W95 HydrophobicContact CB-CD2 3.98Å; F43-W95 HydrophobicContact CB-CE3 3.92Å; F43-W95 HydrophobicContact CB-CH2 3.98Å; F43-W95 HydrophobicContact CB-CZ2 4.03Å; F43-W95 HydrophobicContact CB-CZ3 3.91Å; F43-W95 AromaticContact CD2-CD1 3.68Å; F43-W95 AromaticContact CD2-CD2 3.9Å; F43-W95 HydrophobicContact CD2-CD2 3.9Å; F43-W95 AromaticContact CD2-CE2 3.75Å; F43-W95 AromaticContact CD2-CG 3.88Å; F43-W95 HydrophobicContact CD2-CG 3.88Å; F43-W95 HydrophobicContact CD2-CZ2 4.41Å; F43-W95 AromaticContact CD2-NE1 3.59Å; F43-W95 HydrophobicContact CG-CD2 4.39Å; F43-W95 HydrophobicContact CG-CZ2 4.41Å
44I88.9Confident67.4Low0 Ų092.9 Ų92.90%048%0.479CS..EExtended strand (participates in β ladder)trans-113.5134.8-169.5-63.3-57.8000110.6V17 C19 A28 K29 C30 Y46 D93 E94 V96 V101V17-I44 HydrophobicContact CG2-CD1 4.02Å; C19-I44 HydrophobicContact CB-CG2 3.8Å; A28-I44 HydrophobicContact CB-CG2 3.35Å; K29-I44 WeakPolarHBondContact O-CA 3.4Å; C30-I44 HydrophobicContact CB-CD1 4.19Å; I44-Y46 HydrophobicContact CG2-CE2 4.37Å; I44-D93 VanDerWaalsContact O-CA 3.29Å; I44-D93 WeakPolarHBondContact O-CA 3.37Å; I44-E94 PolarHBondContact N-O 2.8Å; I44-E94 PolarHBondContact O-N 2.99Å; I44-V96 HydrophobicContact CB-CG2 4.41Å; I44-V96 HydrophobicContact CD1-CG2 4.41Å; I44-V96 HydrophobicContact CG1-CG1 4.47Å; I44-V96 HydrophobicContact CG1-CG2 3.41Å; I44-V96 VanDerWaalsContact CG1-CG2 3.41Å; I44-V101 HydrophobicContact CD1-CG1 4.4Å; I44-V101 HydrophobicContact CD1-CG2 4.01Å; I44-V101 HydrophobicContact CG1-CG2 4.14Å
45H83.8Confident64.7Low51 Ų5197.9 Ų97.924%0.23651%0.505CS..EExtended strand (participates in β ladder)trans-112.3117.5172.6178.682.1000110.9A28 K29 V31 D93A28-H45 CarbonylContact C-O 3.59Å; A28-H45 WeakPolarHBondContact CA-O 3.47Å; A28-H45 WeakPolarHBondContact CB-O 3.2Å; K29-H45 PolarHBondContact N-O 2.84Å; K29-H45 PolarHBondContact O-N 2.97Å; V31-H45 HydrophobicContact CG2-CB 3.54Å; H45-D93 WeakPolarHBondContact CA-OD1 3.47Å; H45-D93 IonicContact CE1-OD1 2.86Å; H45-D93 IonicContact CG-OD1 3.33Å; H45-D93 IonicContact ND1-OD1 3.73Å; H45-D93 PolarHBondContact ND1-OD1 3.28Å; H45-D93 IonicContact ND1-OD2 3.39Å; H45-D93 PolarHBondContact ND1-OD2 2.87Å
46Y80.8Confident61.8Low31 Ų31103.2 Ų103.212%0.12252%0.52CS..EExtended strand (participates in β ladder)trans-77.6138-177.2-65.5-88.7000112.9C19 F20 H21 Y26 A28 I44 W92 E94 R100C19-Y46 HydrophobicContact CB-CD1 4.47Å; C19-Y46 HydrophobicContact CB-CE1 3.68Å; C19-Y46 PolarHBondContact SG-OH 3.17Å; F20-Y46 PolarHBondContact O-OH 3.09Å; H21-Y46 HydrophobicContact CB-CE1 3.97Å; Y26-Y46 HydrophobicContact CG-CD1 4.48Å; A28-Y46 HydrophobicContact CB-CD1 3.99Å; A28-Y46 HydrophobicContact CB-CE1 4.5Å; A28-Y46 HydrophobicContact CB-CG 4.4Å; I44-Y46 HydrophobicContact CG2-CE2 4.37Å; Y46-W92 HydrophobicContact CD2-CB 4.11Å; Y46-W92 VanDerWaalsContact CD2-O 3.31Å; Y46-W92 WeakPolarHBondContact CD2-O 3.4Å; Y46-W92 WeakPolarHBondContact CE2-O 3.42Å; Y46-E94 HydrophobicContact CE2-CG 4.21Å; Y46-E94 PolarHBondContact OH-OE1 3.42Å; Y46-R100 PolarHBondContact OH-NH2 2.71Å
47S71.4Confident59.3Low47 Ų47102.7 Ų102.733%0.32953%0.531SS..  trans-98.7140.2-178.9-49.20000110.9E27E27-S47 WeakPolarHBondContact O-CB 2.93Å; E27-S47 PolarHBondContact O-N 2.83Å
48G51.2Low56.9Low64 Ų64108.4 Ų108.466%0.6654%0.542SS*.  trans101.65.9162.300000118.2N50G48-N50 PolarHBondContact O-N 3.39Å
49W38.4Very low54.7Low210 Ų210108.1 Ų108.180%0.79554%0.537SS*.THydrogen-bonded Turntrans-71.8-7.5172-160-90.6000113.9
50N38.2Very low52.3Low138 Ų138107.8 Ų107.874%0.73855%0.547SS*.THydrogen-bonded Turntrans-114.219-175.3-83.5-2.8000115.8G48G48-N50 PolarHBondContact O-N 3.39Å
51K36.1Very low50.2Low184 Ų184116.1 Ų116.180%0.859%0.586SS**  trans-140.295.9-178.5-70.1-172.8179.6-177.90113.7
52K32.7Very low47.5Very low218 Ų218121.9 Ų121.995%0.94861%0.61SS**  trans-154.4109138.3-67-160.2-178.3176.40110.7
53S29.1Very low45Very low107 Ų107126.1 Ų126.175%0.74864%0.64SS**  trans-115.4154.5164.243.50000109.7
54A32.3Very low42.5Very low91 Ų91128.8 Ų128.875%0.75266%0.656SS**  trans74.9108.4167.300000118.5
55V28.5Very low40Very low142 Ų142137.1 Ų137.186%0.86169%0.692SS**  -174131.695.7166.40000107.7
56R27.1Very low37.6Very low198 Ų198138.1 Ų138.175%0.74770%0.702SS**  trans-116144.9178.4-67-174.3-173-138.3-1.2111.5
57P25.4Very low35.3Very low128 Ų128147.2 Ų147.283%0.83174%0.736SS**  trans-105.2155.81499.610.9000112.3
58R26.3Very low33.6Very low256 Ų256152.6 Ų152.697%0.96676%0.756SS**  trans-71.4136.1-168.7-152.8174.5-176.5-159.20.9112.7
59R30.8Very low33Very low152 Ų152151.2 Ų151.257%0.57473%0.734SS**  trans-95.9135.9-175.6-157.4179.2-168.3-179.94.4111.1D69R59-D69 IonicContact NH2-OD1 3.67Å; R59-D69 PolarHBondContact NH2-OD1 3.31Å; R59-D69 VanDerWaalsContact NH2-OD1 3.08Å
60S28.3Very low32.9Very low111 Ų111146.2 Ų146.278%0.77672%0.721SS**  trans-105.3140159.6590000109.7
61E41.8Very low32.8Very low186 Ų186145 Ų14587%0.86972%0.718SS**  trans-54.1135.4-172.2-74.7162.4125.200115
62K30.9Very low32.7Very low200 Ų200139 Ų13987%0.8770%0.703SS**  trans-166.5144.2149.4-102.5158.5-166.7-175.50111.2
63S34.4Very low32.7Very low90 Ų90133.5 Ų133.563%0.62968%0.684SS**  trans-27.5122.7-177.2-169.80000116.8K65S63-K65 PolarHBondContact O-N 2.86Å; S63-K65 WeakPolarHBondContact OG-CE 3.43Å
64L36.7Very low32.9Very low101 Ų101133.5 Ų133.553%0.52967%0.671SS.*  trans-70.6114.2177.4-56.6163.1000109.6D69L64-D69 HydrophobicContact CB-CB 4.28Å; L64-D69 HydrophobicContact CD2-CB 3.69Å
65K35.7Very low32.8Very low174 Ų174133.2 Ų133.276%0.75766%0.661SS**  trans-136.72.7-178.4-69.4-171.8-179.9-178.70114.5S63 D69S63-K65 PolarHBondContact O-N 2.86Å; S63-K65 WeakPolarHBondContact OG-CE 3.43Å; K65-D69 PolarHBondContact N-OD2 3.11Å
66T33.9Very low33Very low72 Ų72132.8 Ų132.844%0.44266%0.659SS.*SBendtrans-132155.5-177.363.30000113.9E68 D69T66-E68 PolarHBondContact O-N 3.13Å; T66-E68 VanDerWaalsContact O-N 3.1Å; T66-D69 PolarHBondContact N-OD2 2.75Å; T66-D69 VanDerWaalsContact N-OD2 3.1Å; T66-D69 VanDerWaalsContact O-CB 3.29Å; T66-D69 WeakPolarHBondContact O-CB 3.32Å; T66-D69 PolarHBondContact O-N 3.3Å; T66-D69 PolarHBondContact OG1-OD2 2.87Å
67R32.3Very low33.2Very low222 Ų222129.1 Ų129.184%0.83866%0.661SS**Hα-helixtrans-53.6-27.4175.5-177.9-179.1176-151-1.1113
68E35.7Very low33.5Very low160 Ų160132 Ų13275%0.74866%0.663SS**Hα-helixtrans-75.3-27.7178.3-69.5156.2-174.500111.9T66T66-E68 PolarHBondContact O-N 3.13Å; T66-E68 VanDerWaalsContact O-N 3.1Å
69D37.8Very low33.9Very low35 Ų35123.4 Ų123.419%0.18765%0.654CS.*Hα-helixtrans-71.8-30176.4-70-52.7000113.4R59 L64 K65 T66R59-D69 IonicContact NH2-OD1 3.67Å; R59-D69 PolarHBondContact NH2-OD1 3.31Å; R59-D69 VanDerWaalsContact NH2-OD1 3.08Å; L64-D69 HydrophobicContact CB-CB 4.28Å; L64-D69 HydrophobicContact CD2-CB 3.69Å; K65-D69 PolarHBondContact N-OD2 3.11Å; T66-D69 PolarHBondContact N-OD2 2.75Å; T66-D69 VanDerWaalsContact N-OD2 3.1Å; T66-D69 VanDerWaalsContact O-CB 3.29Å; T66-D69 WeakPolarHBondContact O-CB 3.32Å; T66-D69 PolarHBondContact O-N 3.3Å; T66-D69 PolarHBondContact OG1-OD2 2.87Å
70I36.7Very low33.7Very low105 Ų105120.9 Ų120.954%0.53867%0.666SS.*Hα-helixtrans-74.9-36.4-179.5-62.7174.6000110.9A72 L73I70-A72 PolarHBondContact O-N 2.87Å; I70-L73 PolarHBondContact O-N 2.84Å
71V35.6Very low33.6Very low112 Ų112121.2 Ų121.268%0.67967%0.666SS**Hα-helixtrans-68.3-25.1178.4178.80000111.5L73V71-L73 VanDerWaalsContact C-N 3.28Å; V71-L73 PolarHBondContact O-N 3.46Å
72A35.1Very low33.4Very low58 Ų58118.1 Ų118.148%0.47966%0.664SS.*THydrogen-bonded Turntrans-77.2-4.4-18000000114.9I70I70-A72 PolarHBondContact O-N 2.87Å
73L32.9Very low33.3Very low104 Ų104115 Ų11555%0.54566%0.662SS.*THydrogen-bonded Turntrans-861-176.3-76.4166.5000115.2I70 V71 P75I70-L73 PolarHBondContact O-N 2.84Å; V71-L73 VanDerWaalsContact C-N 3.28Å; V71-L73 PolarHBondContact O-N 3.46Å; L73-P75 WeakPolarHBondContact O-CD 3.14Å
74F33Very low33.1Very low106 Ų106119.3 Ų119.347%0.46568%0.677SS.*  trans-116.391.8-177.3-64.1-83.4000113.2W211F74-W211 HydrophobicContact CE1-CH2 4.25Å; F74-W211 HydrophobicContact CE2-CH2 4.49Å; F74-W211 AromaticContact CZ-CH2 3.95Å; F74-W211 HydrophobicContact CZ-CH2 3.95Å; F74-W211 AromaticContact CZ-CZ3 3.95Å; F74-W211 HydrophobicContact CZ-CZ3 3.95Å
75P30.3Very low32.6Very low86 Ų86121 Ų12156%0.55868%0.682SS**PPolyproline II helixtrans-85.5129.51600.718.8000110.3L73L73-P75 WeakPolarHBondContact O-CD 3.14Å
76V33.5Very low32.3Very low133 Ų133118.1 Ų118.181%0.80668%0.68SS**PPolyproline II helixtrans-81.5135.7163.9179.50000108.4
77P30.2Very low32.1Very low121 Ų121121.7 Ų121.779%0.78670%0.696SS**PPolyproline II helixtrans-72137.2179.5-8.423.7000111.7
78E30.9Very low32.2Very low187 Ų187118 Ų11887%0.87469%0.692SS**SBendtrans-75.5131.5169.9-75.6-178.9154.500110.4
79G35.2Very low32Very low77 Ų77115.5 Ų115.579%0.79469%0.688SS**  trans133.68.515900000119.9
80A27.3Very low32.2Very low99 Ų99116.5 Ų116.582%0.81870%0.698SS**PPolyproline II helixtrans-85.6128.8175.500000111.9
81P25.8Very low32.6Very low118 Ų118117 Ų11777%0.76671%0.71SS**PPolyproline II helixtrans-75.6147.6-170.328.9-31.8000113V83P81-V83 PolarHBondContact O-N 2.76Å
82S37.2Very low33.6Very low120 Ų120117.7 Ų117.784%0.83970%0.701SS**PPolyproline II helixtrans-63.4118.2173.2-76.20000111.3
83V28.3Very low35.7Very low135 Ų135117 Ų11782%0.81869%0.689SS**  trans-124.2110.1156.9-86.60000107.8P81 H85P81-V83 PolarHBondContact O-N 2.76Å; V83-H85 PolarHBondContact O-N 2.86Å
84L30.5Very low38.1Very low180 Ų180114.7 Ų114.794%0.94268%0.676SS**  trans-58116.3171.4-100.790000108.7
85H27.7Very low40.6Very low137 Ų137115.3 Ų115.363%0.63468%0.675SS**  trans-121.8134.4163.3-160.1-99.6000109.4V83 L87V83-H85 PolarHBondContact O-N 2.86Å; H85-L87 PolarHBondContact O-N 2.9Å
86P28.8Very low43.2Very low113 Ų113111.2 Ų111.273%0.73465%0.649SS**THydrogen-bonded Turntrans-70.817-169.5-18.832.8000117
87L29Very low45.8Very low147 Ų147106.5 Ų106.577%0.7762%0.621SS**THydrogen-bonded Turntrans-11518.8-175.1-61.7176.5000113.2H85H85-L87 PolarHBondContact O-N 2.9Å
88L34.1Very low48.3Very low144 Ų144102.8 Ų102.875%0.75459%0.593SS**  trans-114.460.2175.6-147.294000111.3
89T33.4Very low50.9Low109 Ų10996.9 Ų96.967%0.66957%0.572SS**  trans-104.1107.1163.955.60000109.4
90S40Very low53.3Low55 Ų5595 Ų9539%0.38554%0.541SS..  trans-23.4128.8171.1-57.30000115.6W92S90-W92 PolarHBondContact O-N 3.09Å
91S46.4Very low56.2Low115 Ų11590.5 Ų90.580%0.80450%0.504SS*.THydrogen-bonded Turntrans-7138.9174.663.60000114.3
92W55.8Low59.2Low127 Ų12786.7 Ų86.748%0.48148%0.476SS..THydrogen-bonded Turntrans-124.67.5175.2-62.599.9000111.9H21 Y46 S90 E94H21-W92 AromaticContact CE1-CZ3 3.94Å; H21-W92 AromaticContact NE2-CZ3 3.91Å; Y46-W92 HydrophobicContact CD2-CB 4.11Å; Y46-W92 VanDerWaalsContact CD2-O 3.31Å; Y46-W92 WeakPolarHBondContact CD2-O 3.4Å; Y46-W92 WeakPolarHBondContact CE2-O 3.42Å; S90-W92 PolarHBondContact O-N 3.09Å; W92-E94 PolarHBondContact O-N 3.31Å
93D78.6Confident61.7Low43 Ų4386.3 Ų86.323%0.2346%0.46CS..  trans-79.8118179.1-61.7-1.9000109.4F43 I44 H45F43-D93 HydrophobicContact CE1-CB 3.71Å; F43-D93 HydrophobicContact CE2-CB 4.04Å; F43-D93 HydrophobicContact CZ-CB 3.36Å; I44-D93 VanDerWaalsContact O-CA 3.29Å; I44-D93 WeakPolarHBondContact O-CA 3.37Å; H45-D93 WeakPolarHBondContact CA-OD1 3.47Å; H45-D93 IonicContact CE1-OD1 2.86Å; H45-D93 IonicContact CG-OD1 3.33Å; H45-D93 IonicContact ND1-OD1 3.73Å; H45-D93 PolarHBondContact ND1-OD1 3.28Å; H45-D93 IonicContact ND1-OD2 3.39Å; H45-D93 PolarHBondContact ND1-OD2 2.87Å
94E83.6Confident64.5Low56 Ų5684 Ų8426%0.26244%0.437SS..EExtended strand (participates in β ladder)trans-134.2152.4-176.354.4169.1161.600111H21 F43 I44 Y46 W92 V96 R100H21-E94 IonicContact ND1-OE1 2.72Å; F43-E94 WeakPolarHBondContact CA-O 3.45Å; I44-E94 PolarHBondContact N-O 2.8Å; I44-E94 PolarHBondContact O-N 2.99Å; Y46-E94 HydrophobicContact CE2-CG 4.21Å; Y46-E94 PolarHBondContact OH-OE1 3.42Å; W92-E94 PolarHBondContact O-N 3.31Å; E94-V96 HydrophobicContact CG-CG1 3.61Å; E94-R100 IonicContact OE1-CZ 3.76Å; E94-R100 IonicContact OE1-NH1 2.68Å; E94-R100 PolarHBondContact OE1-NH1 3.05Å; E94-R100 IonicContact OE1-NH2 3.44Å; E94-R100 PolarHBondContact OE1-NH2 3.27Å; E94-R100 IonicContact OE2-CZ 3.46Å; E94-R100 IonicContact OE2-NH1 3.62Å; E94-R100 PolarHBondContact OE2-NH1 3.4Å; E94-R100 IonicContact OE2-NH2 3.7Å
95W86.9Confident67.1Low120 Ų12078.5 Ų78.546%0.45541%0.41SS..EExtended strand (participates in β ladder)trans-80.5115.9166.3-75.2100.1000109.3K32 A34 K41 Y42 F43K32-W95 HydrophobicContact CB-CH2 3.73Å; K32-W95 HydrophobicContact CB-CZ2 4.35Å; K32-W95 HydrophobicContact CB-CZ3 4.39Å; A34-W95 HydrophobicContact CB-CE3 4.35Å; A34-W95 HydrophobicContact CB-CH2 3.59Å; A34-W95 HydrophobicContact CB-CZ3 3.47Å; A34-W95 VanDerWaalsContact CB-CZ3 3.47Å; K41-W95 HydrophobicContact CB-CE3 3.95Å; K41-W95 HydrophobicContact CB-CZ3 4.49Å; Y42-W95 CarbonylContact O-C 3.55Å; Y42-W95 WeakPolarHBondContact O-CA 3.25Å; F43-W95 HydrophobicContact CB-CD2 3.98Å; F43-W95 HydrophobicContact CB-CE3 3.92Å; F43-W95 HydrophobicContact CB-CH2 3.98Å; F43-W95 HydrophobicContact CB-CZ2 4.03Å; F43-W95 HydrophobicContact CB-CZ3 3.91Å; F43-W95 AromaticContact CD2-CD1 3.68Å; F43-W95 AromaticContact CD2-CD2 3.9Å; F43-W95 HydrophobicContact CD2-CD2 3.9Å; F43-W95 AromaticContact CD2-CE2 3.75Å; F43-W95 AromaticContact CD2-CG 3.88Å; F43-W95 HydrophobicContact CD2-CG 3.88Å; F43-W95 HydrophobicContact CD2-CZ2 4.41Å; F43-W95 AromaticContact CD2-NE1 3.59Å; F43-W95 HydrophobicContact CG-CD2 4.39Å; F43-W95 HydrophobicContact CG-CZ2 4.41Å
96V84.7Confident69.6Low0 Ų078.1 Ų78.10%041%0.413CS..EExtended strand (participates in β ladder)trans-114.1148.1178.2-50.80000111.4K41 Y42 I44 E94 R100 V101K41-V96 CarbonylContact C-O 3.6Å; K41-V96 WeakPolarHBondContact CA-O 3.47Å; Y42-V96 PolarHBondContact N-O 2.93Å; Y42-V96 PolarHBondContact O-N 3.41Å; I44-V96 HydrophobicContact CB-CG2 4.41Å; I44-V96 HydrophobicContact CD1-CG2 4.41Å; I44-V96 HydrophobicContact CG1-CG1 4.47Å; I44-V96 HydrophobicContact CG1-CG2 3.41Å; I44-V96 VanDerWaalsContact CG1-CG2 3.41Å; E94-V96 HydrophobicContact CG-CG1 3.61Å; V96-R100 HydrophobicContact CB-CB 4.1Å; V96-R100 HydrophobicContact CG2-CB 4.25Å; V96-V101 HydrophobicContact CG2-CG2 3.41Å; V96-V101 VanDerWaalsContact CG2-CG2 3.41Å
97P86.9Confident72.3Confident34 Ų3478 Ų7822%0.22141%0.411CS..EExtended strand (participates in β ladder)trans-67.5160.9169.929.9-36.2000111.6S99 R100P97-S99 WeakPolarHBondContact CG-OG 3.41Å; P97-S99 PolarHBondContact O-N 3.46Å; P97-S99 VanDerWaalsContact O-N 3.13Å; P97-R100 HydrophobicContact CG-CG 4.25Å; P97-R100 PolarHBondContact O-N 3.4Å; P97-R100 VanDerWaalsContact O-N 3.11Å
98E83.1Confident75Confident43 Ų4372.5 Ų72.520%0.20138%0.382CS..G310 helixtrans-56.2-28177.3-172.2166-105.700114.2K10 V40 Y42 R100 V101K10-E98 VanDerWaalsContact CB-OE1 3.25Å; K10-E98 WeakPolarHBondContact CB-OE1 3.33Å; K10-E98 VanDerWaalsContact CD-CD 3.44Å; K10-E98 HydrophobicContact CD-CG 4.02Å; K10-E98 WeakPolarHBondContact CD-OE1 3.4Å; K10-E98 VanDerWaalsContact CE-OE2 3.28Å; K10-E98 WeakPolarHBondContact CE-OE2 3.42Å; K10-E98 WeakPolarHBondContact CG-OE1 3.36Å; K10-E98 PolarHBondContact N-OE1 3.39Å; K10-E98 IonicContact NZ-OE2 3.27Å; K10-E98 PolarHBondContact NZ-OE2 3.01Å; V40-E98 PolarHBondContact O-N 3.1Å; Y42-E98 HydrophobicContact CD2-CB 4.44Å; Y42-E98 HydrophobicContact CE2-CB 3.71Å; Y42-E98 HydrophobicContact CE2-CG 3.79Å; Y42-E98 PolarHBondContact OH-OE1 2.8Å; E98-R100 PolarHBondContact O-N 3.41Å; E98-V101 PolarHBondContact O-N 2.89Å
99S85.5Confident77.2Confident62 Ų6266.8 Ų66.843%0.43435%0.352SS..G310 helixtrans-62.5-26.4177.950.50000113.6P97 E186P97-S99 WeakPolarHBondContact CG-OG 3.41Å; P97-S99 PolarHBondContact O-N 3.46Å; P97-S99 VanDerWaalsContact O-N 3.13Å; S99-E186 PolarHBondContact OG-OE2 2.91Å
100R85.8Confident79.4Confident37 Ų3765.2 Ų65.214%0.1434%0.337CS..G310 helixtrans-87.3-7.6-178.5-75.7-175.562.4-163.9-3.7114.1C19 F20 Y46 E94 V96 P97 E98 M190C19-R100 WeakPolarHBondContact CA-O 3.3Å; F20-R100 PolarHBondContact N-O 3.37Å; F20-R100 PolarHBondContact O-NE 3.13Å; F20-R100 VanDerWaalsContact O-NE 3.1Å; F20-R100 PolarHBondContact O-NH2 2.92Å; Y46-R100 PolarHBondContact OH-NH2 2.71Å; E94-R100 IonicContact OE1-CZ 3.76Å; E94-R100 IonicContact OE1-NH1 2.68Å; E94-R100 PolarHBondContact OE1-NH1 3.05Å; E94-R100 IonicContact OE1-NH2 3.44Å; E94-R100 PolarHBondContact OE1-NH2 3.27Å; E94-R100 IonicContact OE2-CZ 3.46Å; E94-R100 IonicContact OE2-NH1 3.62Å; E94-R100 PolarHBondContact OE2-NH1 3.4Å; E94-R100 IonicContact OE2-NH2 3.7Å; V96-R100 HydrophobicContact CB-CB 4.1Å; V96-R100 HydrophobicContact CG2-CB 4.25Å; P97-R100 HydrophobicContact CG-CG 4.25Å; P97-R100 PolarHBondContact O-N 3.4Å; P97-R100 VanDerWaalsContact O-N 3.11Å; E98-R100 PolarHBondContact O-N 3.41Å; R100-M190 HydrophobicContact CG-CE 4.48Å
101V88.8Confident81.3Confident6 Ų666.4 Ų66.44%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-114127.1-172.6-168.80000110.3F11 V17 Y42 I44 V96 E98F11-V101 HydrophobicContact CD1-CG1 4.36Å; F11-V101 HydrophobicContact CD2-CB 4.13Å; F11-V101 HydrophobicContact CD2-CG1 3.82Å; F11-V101 HydrophobicContact CE1-CG1 4.14Å; F11-V101 HydrophobicContact CE2-CB 3.69Å; F11-V101 HydrophobicContact CE2-CG1 3.63Å; F11-V101 WeakPolarHBondContact CE2-O 3.42Å; F11-V101 HydrophobicContact CG-CG1 4.2Å; F11-V101 HydrophobicContact CZ-CB 4.14Å; F11-V101 HydrophobicContact CZ-CG1 3.8Å; F11-V101 VanDerWaalsContact CZ-O 3.26Å; F11-V101 WeakPolarHBondContact CZ-O 3.37Å; V17-V101 HydrophobicContact CB-CG1 3.56Å; V17-V101 HydrophobicContact CG1-CG1 3.79Å; V17-V101 HydrophobicContact CG2-CG1 3.68Å; Y42-V101 HydrophobicContact CD2-CG2 4.11Å; Y42-V101 HydrophobicContact CG-CG2 4.48Å; I44-V101 HydrophobicContact CD1-CG1 4.4Å; I44-V101 HydrophobicContact CD1-CG2 4.01Å; I44-V101 HydrophobicContact CG1-CG2 4.14Å; V96-V101 HydrophobicContact CG2-CG2 3.41Å; V96-V101 VanDerWaalsContact CG2-CG2 3.41Å; E98-V101 PolarHBondContact O-N 2.89Å
102L88Confident83.1Confident38 Ų3862.3 Ų62.320%0.19930%0.304CS..EExtended strand (participates in β ladder)trans-116.7149.9176.9-65.8-176.4000110.5V17 L18 F20 L25 N108 K111V17-L102 WeakPolarHBondContact CB-O 3.39Å; L18-L102 HydrophobicContact CB-CB 4.23Å; L18-L102 PolarHBondContact N-O 3.13Å; L18-L102 PolarHBondContact O-N 3.15Å; F20-L102 HydrophobicContact CE2-CD1 3.78Å; F20-L102 HydrophobicContact CE2-CG 4.16Å; F20-L102 HydrophobicContact CZ-CD1 4.22Å; L25-L102 HydrophobicContact CD1-CD1 3.87Å; L25-L102 HydrophobicContact CD2-CD1 3.91Å; L25-L102 HydrophobicContact CD2-CG 4.44Å; L102-N108 HydrophobicContact CB-CB 4.43Å; L102-N108 HydrophobicContact CD1-CB 4.39Å; L102-K111 HydrophobicContact CD1-CD 4.48Å
103K89.6Confident84.2Confident111 Ų11162.8 Ų62.848%0.48331%0.305SS..EExtended strand (participates in β ladder)trans-63.8142.9172.9-74.7-172.9174.7-174.40110.5F11 V105 N108F11-K103 HydrophobicContact CD1-CG 4.23Å; F11-K103 HydrophobicContact CE1-CB 4.25Å; F11-K103 HydrophobicContact CE1-CG 3.44Å; F11-K103 VanDerWaalsContact CE1-CG 3.44Å; F11-K103 HydrophobicContact CZ-CG 4.22Å; K103-V105 VanDerWaalsContact C-N 3.28Å; K103-V105 HydrophobicContact CB-CG1 4.05Å; K103-V105 HydrophobicContact CB-CG2 4.34Å; K103-V105 PolarHBondContact O-N 3.45Å; K103-N108 WeakPolarHBondContact O-CB 3.26Å; K103-N108 PolarHBondContact O-ND2 3.45Å
104Y87.6Confident84.4Confident87 Ų8766 Ų6634%0.34132%0.319SS..SBendtrans-75.582.8171.2-163.1-86.8000109.6R16 L18 E27 L109R16-Y104 HydrophobicContact CG-CD2 3.9Å; R16-Y104 HydrophobicContact CG-CE2 4.35Å; R16-Y104 HydrophobicContact CG-CG 4.09Å; R16-Y104 WeakPolarHBondContact O-CB 3.34Å; L18-Y104 HydrophobicContact CD2-CD2 3.99Å; L18-Y104 HydrophobicContact CD2-CE2 4.13Å; L18-Y104 HydrophobicContact CG-CD2 3.96Å; E27-Y104 HydrophobicContact CB-CE2 4.49Å; E27-Y104 HydrophobicContact CG-CD2 4.39Å; E27-Y104 HydrophobicContact CG-CE2 3.84Å; Y104-L109 HydrophobicContact CD1-CD1 4.29Å; Y104-L109 HydrophobicContact CE1-CD1 3.92Å; Y104-L109 HydrophobicContact CE2-CD2 4.14Å
105V86.1Confident84.1Confident64 Ų6465.7 Ų65.739%0.38832%0.319SS..SBendtrans-133156.7179.7-65.30000110.1K103 T107 N108 L109K103-V105 VanDerWaalsContact C-N 3.28Å; K103-V105 HydrophobicContact CB-CG1 4.05Å; K103-V105 HydrophobicContact CB-CG2 4.34Å; K103-V105 PolarHBondContact O-N 3.45Å; V105-T107 PolarHBondContact O-N 3.41Å; V105-T107 VanDerWaalsContact O-N 3.15Å; V105-N108 HydrophobicContact CG2-CB 4.14Å; V105-N108 WeakPolarHBondContact CG2-ND2 3.45Å; V105-N108 PolarHBondContact O-N 3.04Å; V105-L109 PolarHBondContact O-N 2.86Å
106D78.9Confident83.6Confident129 Ų12964.2 Ų64.269%0.6932%0.317SS*.Hα-helixtrans-54.3-38.2-174.2-65.8-54.3000113.6N108 L109 Q110D106-N108 VanDerWaalsContact C-N 3.33Å; D106-N108 PolarHBondContact O-N 3.45Å; D106-L109 PolarHBondContact O-N 2.77Å; D106-Q110 WeakPolarHBondContact O-CB 3.49Å; D106-Q110 PolarHBondContact O-N 2.96Å
107T86.4Confident83.3Confident111 Ų11170.3 Ų70.368%0.68134%0.343SS*.Hα-helixtrans-60.7-40.2176.4-44.60000112.4V105 K111V105-T107 PolarHBondContact O-N 3.41Å; V105-T107 VanDerWaalsContact O-N 3.15Å; T107-K111 PolarHBondContact O-N 3.09Å; T107-K111 VanDerWaalsContact O-N 3.13Å
108N85.1Confident82.7Confident31 Ų3171 Ų7117%0.16635%0.352CS..Hα-helixtrans-82.2-29.4-179.2-65.8-26.7000112L18 L102 K103 V105 D106 Q110 K111 Q112L18-N108 HydrophobicContact CD1-CB 3.6Å; L102-N108 HydrophobicContact CB-CB 4.43Å; L102-N108 HydrophobicContact CD1-CB 4.39Å; K103-N108 WeakPolarHBondContact O-CB 3.26Å; K103-N108 PolarHBondContact O-ND2 3.45Å; V105-N108 HydrophobicContact CG2-CB 4.14Å; V105-N108 WeakPolarHBondContact CG2-ND2 3.45Å; V105-N108 PolarHBondContact O-N 3.04Å; D106-N108 VanDerWaalsContact C-N 3.33Å; D106-N108 PolarHBondContact O-N 3.45Å; N108-Q110 VanDerWaalsContact C-N 3.32Å; N108-K111 WeakPolarHBondContact O-CB 3.49Å; N108-K111 PolarHBondContact O-N 3.02Å; N108-Q112 PolarHBondContact O-N 2.88Å
109L80.2Confident82.1Confident25 Ų2572.2 Ų72.213%0.13136%0.36CS..Hα-helixtrans-64.1-38.8169-80.6153000111.3L18 Y104 V105 D106 Q112 R113L18-L109 HydrophobicContact CD1-CG 4.31Å; Y104-L109 HydrophobicContact CD1-CD1 4.29Å; Y104-L109 HydrophobicContact CE1-CD1 3.92Å; Y104-L109 HydrophobicContact CE2-CD2 4.14Å; V105-L109 PolarHBondContact O-N 2.86Å; D106-L109 PolarHBondContact O-N 2.77Å; L109-Q112 WeakPolarHBondContact O-CB 3.32Å; L109-Q112 PolarHBondContact O-N 2.81Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 2.81Å; L109-R113 VanDerWaalsContact O-N 3.09Å
110Q80.3Confident81.4Confident76 Ų7676.3 Ų76.336%0.35537%0.372SS..Hα-helixtrans-64.3-44.5172.8-17760.320.400111D106 N108 Q112 R113 E114D106-Q110 WeakPolarHBondContact O-CB 3.49Å; D106-Q110 PolarHBondContact O-N 2.96Å; N108-Q110 VanDerWaalsContact C-N 3.32Å; Q110-Q112 VanDerWaalsContact C-N 3.28Å; Q110-Q112 PolarHBondContact O-N 3.49Å; Q110-R113 PolarHBondContact O-N 3.36Å; Q110-R113 VanDerWaalsContact O-N 3.1Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.33Å; Q110-E114 PolarHBondContact NE2-OE1 2.76Å; Q110-E114 WeakPolarHBondContact O-CG 3.45Å; Q110-E114 PolarHBondContact O-N 2.86Å
111K78.8Confident80.7Confident80 Ų8079.4 Ų79.435%0.34839%0.388SS..Hα-helixtrans-56.9-40.2172.8-169.7176.4-177.8-179.80112.1L25 L102 T107 N108 E114 L115L25-K111 HydrophobicContact CD1-CB 4.37Å; L25-K111 HydrophobicContact CD1-CD 4.33Å; L25-K111 HydrophobicContact CD1-CG 4.19Å; L102-K111 HydrophobicContact CD1-CD 4.48Å; T107-K111 PolarHBondContact O-N 3.09Å; T107-K111 VanDerWaalsContact O-N 3.13Å; N108-K111 WeakPolarHBondContact O-CB 3.49Å; N108-K111 PolarHBondContact O-N 3.02Å; K111-E114 PolarHBondContact O-N 2.95Å; K111-L115 HydrophobicContact CG-CD1 4.13Å; K111-L115 HydrophobicContact CG-CG 4.49Å; K111-L115 WeakPolarHBondContact O-CB 3.49Å; K111-L115 WeakPolarHBondContact O-CG 3.4Å; K111-L115 PolarHBondContact O-N 2.89Å
112Q85Confident79.5Confident29 Ų2986 Ų8614%0.13642%0.419CS..Hα-helixtrans-60.1-47.2173.9177.4-175.947.700112.1L25 N108 L109 Q110 L115 Q116L25-Q112 HydrophobicContact CB-CB 3.89Å; L25-Q112 HydrophobicContact CB-CG 3.98Å; L25-Q112 HydrophobicContact CD1-CB 4.36Å; L25-Q112 WeakPolarHBondContact O-CG 3.17Å; L25-Q112 PolarHBondContact O-NE2 3.27Å; N108-Q112 PolarHBondContact O-N 2.88Å; L109-Q112 WeakPolarHBondContact O-CB 3.32Å; L109-Q112 PolarHBondContact O-N 2.81Å; Q110-Q112 VanDerWaalsContact C-N 3.28Å; Q110-Q112 PolarHBondContact O-N 3.49Å; Q112-L115 PolarHBondContact O-N 2.75Å; Q112-Q116 VanDerWaalsContact O-CG 3.3Å; Q112-Q116 WeakPolarHBondContact O-CG 3.35Å; Q112-Q116 PolarHBondContact O-N 3.36Å
113R78.5Confident77.8Confident137 Ų13793.1 Ų93.152%0.51744%0.444SS..Hα-helixtrans-64.1-41.2178.7-66.1177.8-145.4147.4-2.3112.2L109 Q110 Q116 K117L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 2.81Å; L109-R113 VanDerWaalsContact O-N 3.09Å; Q110-R113 PolarHBondContact O-N 3.36Å; Q110-R113 VanDerWaalsContact O-N 3.1Å; R113-Q116 PolarHBondContact O-N 2.71Å; R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 PolarHBondContact O-N 3.05Å
114E82.4Confident76.2Confident109 Ų10990.6 Ų90.651%0.50944%0.444SS..Hα-helixtrans-64.4-44.9178-74.2170.5-169.900111.6Q110 K111 Q116 K117 A118Q110-E114 WeakPolarHBondContact CG-OE1 3.33Å; Q110-E114 PolarHBondContact NE2-OE1 2.76Å; Q110-E114 WeakPolarHBondContact O-CG 3.45Å; Q110-E114 PolarHBondContact O-N 2.86Å; K111-E114 PolarHBondContact O-N 2.95Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 3.1Å; E114-K117 PolarHBondContact O-N 2.86Å; E114-A118 WeakPolarHBondContact O-CB 2.85Å; E114-A118 PolarHBondContact O-N 2.72Å
115L77.8Confident74.5Confident51 Ų5193.3 Ų93.327%0.26746%0.46SS..Hα-helixtrans-61.6-40.7175.3-71.6171000111.8F20 L24 L25 K111 Q112 N119F20-L115 HydrophobicContact CE1-CD1 3.85Å; F20-L115 HydrophobicContact CZ-CD1 4.46Å; L24-L115 HydrophobicContact CD2-CB 4.1Å; L25-L115 HydrophobicContact CD1-CD1 3.98Å; L25-L115 HydrophobicContact CG-CD1 4.21Å; K111-L115 HydrophobicContact CG-CD1 4.13Å; K111-L115 HydrophobicContact CG-CG 4.49Å; K111-L115 WeakPolarHBondContact O-CB 3.49Å; K111-L115 WeakPolarHBondContact O-CG 3.4Å; K111-L115 PolarHBondContact O-N 2.89Å; Q112-L115 PolarHBondContact O-N 2.75Å; L115-N119 VanDerWaalsContact O-CB 3.26Å; L115-N119 WeakPolarHBondContact O-CB 3.47Å; L115-N119 PolarHBondContact O-N 3.49Å
116Q76.1Confident72.7Confident88 Ų8893.1 Ų93.141%0.41147%0.471SS..Hα-helixtrans-64.7-43.6175.4-74.2174.30.200112L24 Q112 R113 E114 Q120L24-Q116 HydrophobicContact CD2-CG 4.11Å; Q112-Q116 VanDerWaalsContact O-CG 3.3Å; Q112-Q116 WeakPolarHBondContact O-CG 3.35Å; Q112-Q116 PolarHBondContact O-N 3.36Å; R113-Q116 PolarHBondContact O-N 2.71Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 3.1Å; Q116-Q120 PolarHBondContact O-N 2.68Å; Q116-Q120 VanDerWaalsContact O-N 3.13Å
117K78.9Confident71Confident128 Ų12895.7 Ų95.756%0.55748%0.476SS*.Hα-helixtrans-65.8-47.6178.8-176.4177.7171.5-176.40111.9R113 E114 N119 Q120 E121R113-K117 WeakPolarHBondContact O-CB 3.47Å; R113-K117 PolarHBondContact O-N 3.05Å; E114-K117 PolarHBondContact O-N 2.86Å; K117-N119 VanDerWaalsContact C-N 3.31Å; K117-N119 PolarHBondContact O-N 3.39Å; K117-Q120 WeakPolarHBondContact O-CB 3.33Å; K117-Q120 PolarHBondContact O-N 3.39Å; K117-Q120 VanDerWaalsContact O-N 3.09Å; K117-E121 WeakPolarHBondContact CE-OE1 3.42Å; K117-E121 IonicContact NZ-OE1 2.75Å; K117-E121 WeakPolarHBondContact O-CG 3.43Å; K117-E121 PolarHBondContact O-N 3.21Å
118A74.2Confident68.7Low48 Ų4898.1 Ų98.140%0.39748%0.482SS..Hα-helixtrans-62-38.9178.400000112E114 Q120 E121 Q122E114-A118 WeakPolarHBondContact O-CB 2.85Å; E114-A118 PolarHBondContact O-N 2.72Å; A118-Q120 VanDerWaalsContact C-N 3.3Å; A118-Q120 PolarHBondContact O-N 2.92Å; A118-E121 PolarHBondContact O-N 3.4Å; A118-Q122 WeakPolarHBondContact O-CG 3.29Å; A118-Q122 PolarHBondContact O-N 2.96Å
119N70.3Confident66.8Low70 Ų70108.1 Ų108.137%0.37452%0.517SS..Hα-helixtrans-63.2-37.5174.8-169.3-96.7000111.9L24 L115 K117 Y123L24-N119 HydrophobicContact CD2-CB 4.18Å; L115-N119 VanDerWaalsContact O-CB 3.26Å; L115-N119 WeakPolarHBondContact O-CB 3.47Å; L115-N119 PolarHBondContact O-N 3.49Å; K117-N119 VanDerWaalsContact C-N 3.31Å; K117-N119 PolarHBondContact O-N 3.39Å; N119-Y123 PolarHBondContact O-N 3.02Å
120Q69.8Low64.6Low147 Ų147110.5 Ų110.569%0.68755%0.547SS*.Hα-helixtrans-71.6-37.7177.9-159.9169.219.700112.8Q116 K117 A118 Y123 A124Q116-Q120 PolarHBondContact O-N 2.68Å; Q116-Q120 VanDerWaalsContact O-N 3.13Å; K117-Q120 WeakPolarHBondContact O-CB 3.33Å; K117-Q120 PolarHBondContact O-N 3.39Å; K117-Q120 VanDerWaalsContact O-N 3.09Å; A118-Q120 VanDerWaalsContact C-N 3.3Å; A118-Q120 PolarHBondContact O-N 2.92Å; Q120-Y123 PolarHBondContact O-N 3.18Å; Q120-A124 PolarHBondContact O-N 3.26Å
121E72.3Confident62.3Low102 Ų102111.1 Ų111.148%0.47757%0.566SS.*Hα-helixtrans-69.1-43.3177.1-73.1172.817500112.3K117 A118 Y123 A124 E125K117-E121 WeakPolarHBondContact CE-OE1 3.42Å; K117-E121 IonicContact NZ-OE1 2.75Å; K117-E121 WeakPolarHBondContact O-CG 3.43Å; K117-E121 PolarHBondContact O-N 3.21Å; A118-E121 PolarHBondContact O-N 3.4Å; E121-Y123 PolarHBondContact O-N 3.29Å; E121-A124 WeakPolarHBondContact O-CB 3.31Å; E121-A124 PolarHBondContact O-N 3.29Å; E121-E125 PolarHBondContact O-N 2.97Å
122Q63Low60Low146 Ų146112 Ų11268%0.68259%0.588SS**Hα-helixtrans-60.2-34.7173.5-76.2-165.8-10.500112.4A118 A124 G126A118-Q122 WeakPolarHBondContact O-CG 3.29Å; A118-Q122 PolarHBondContact O-N 2.96Å; Q122-A124 VanDerWaalsContact C-N 3.31Å; Q122-A124 PolarHBondContact O-N 3.46Å; Q122-G126 PolarHBondContact O-N 3.02Å
123Y53.4Low57.7Low186 Ų186116.7 Ų116.773%0.72962%0.621SS**Hα-helixtrans-68.6-30.3175.8-144.8-91.5000112.5N119 Q120 E121N119-Y123 PolarHBondContact O-N 3.02Å; Q120-Y123 PolarHBondContact O-N 3.18Å; E121-Y123 PolarHBondContact O-N 3.29Å
124A56.2Low55.4Low59 Ų59114 Ų11449%0.48864%0.636SS.*Hα-helixtrans-78.3-42.5176.800000112.7Q120 E121 Q122 G126 K127Q120-A124 PolarHBondContact O-N 3.26Å; E121-A124 WeakPolarHBondContact O-CB 3.31Å; E121-A124 PolarHBondContact O-N 3.29Å; Q122-A124 VanDerWaalsContact C-N 3.31Å; Q122-A124 PolarHBondContact O-N 3.46Å; A124-G126 VanDerWaalsContact C-N 3.35Å; A124-G126 PolarHBondContact O-N 3.14Å; A124-K127 WeakPolarHBondContact O-CB 3.44Å; A124-K127 PolarHBondContact O-N 3.22Å; A124-K127 VanDerWaalsContact O-N 3.13Å
125E50.6Low52.9Low143 Ų143119 Ų11967%0.66866%0.656SS**Hα-helixtrans-66-35.2178.7-72.9-171.915800112.8E121 K127 M128E121-E125 PolarHBondContact O-N 2.97Å; E125-K127 PolarHBondContact O-N 3.13Å; E125-K127 VanDerWaalsContact O-N 3.14Å; E125-M128 PolarHBondContact O-N 3.5Å; E125-M128 VanDerWaalsContact O-N 3.09Å
126G49.4Very low50.6Low61 Ų61126.5 Ų126.563%0.62969%0.686SS**Hα-helixtrans-60.6-20.7173.800000113.9Q122 A124Q122-G126 PolarHBondContact O-N 3.02Å; A124-G126 VanDerWaalsContact C-N 3.35Å; A124-G126 PolarHBondContact O-N 3.14Å
127K41.9Very low48.3Very low182 Ų182128.7 Ų128.779%0.79171%0.706SS**Hα-helixtrans-82.2-21.4177.7-146.1177.7-177-177.20112.8A124 E125A124-K127 WeakPolarHBondContact O-CB 3.44Å; A124-K127 PolarHBondContact O-N 3.22Å; A124-K127 VanDerWaalsContact O-N 3.13Å; E125-K127 PolarHBondContact O-N 3.13Å; E125-K127 VanDerWaalsContact O-N 3.14Å
128M39.5Very low45.9Very low163 Ų163128.8 Ų128.880%0.80372%0.723SS**Hα-helixtrans-93.7-11-173.5-67.8-67.6-82.600114.6E125 G130E125-M128 PolarHBondContact O-N 3.5Å; E125-M128 VanDerWaalsContact O-N 3.09Å; M128-G130 VanDerWaalsContact C-N 3.34Å
129R43.9Very low43.5Very low241 Ų241129.6 Ų129.691%0.90974%0.736SS**THydrogen-bonded Turntrans-86.43.1176.2-84.7-179161.7-176.3-3.9114.8
130G34.4Very low41.4Very low74 Ų74133.8 Ų133.876%0.76376%0.757SS**THydrogen-bonded Turntrans-89.40.3-176.300000116.9M128M128-G130 VanDerWaalsContact C-N 3.34Å
131A33Very low39.3Very low90 Ų90134.3 Ų134.374%0.74476%0.76SS**  trans-107.697.1179.500000111
132A30.5Very low37.1Very low97 Ų97137.6 Ų137.680%0.80278%0.775SS**PPolyproline II helixtrans-80.9131.6169.400000110.4
133P36.8Very low35.4Very low128 Ų128140.7 Ų140.783%0.83179%0.786SS**PPolyproline II helixtrans-76.8134.216929.8-30.1000110.5
134G30Very low34Very low81 Ų81139.1 Ų139.184%0.83579%0.791SS**PPolyproline II helixtrans-65.1139-173.900000114.5
135K30.1Very low32.6Very low213 Ų213143.3 Ų143.393%0.92681%0.81SS**PPolyproline II helixtrans-90.9117.1171.1-122.2175.8-179.1177.50109.1
136K28.1Very low31.4Very low210 Ų210143.8 Ų143.891%0.91381%0.812SS**PPolyproline II helixtrans-89.9148.2158.2-81.3-171.3178.4-179.10110.1
137T28.3Very low30.2Very low133 Ų133145.9 Ų145.982%0.81681%0.812SS**PPolyproline II helixtrans-80.1149.2-174.748.40000114.1
138S28.2Very low29.5Very low130 Ų130145.2 Ų145.291%0.90981%0.809SS**  trans134.2134.9153.568.80000109.1
139G24.4Very low28.8Very low65 Ų65143.3 Ų143.367%0.6781%0.807SS**  cis171.4155.42.600000107.1
140L25.1Very low28Very low158 Ų158141.5 Ų141.583%0.82781%0.806SS**  trans63.5137.2158-77.896000123.5
141Q25.4Very low27.7Very low158 Ų158147.4 Ų147.474%0.73881%0.811SS**  trans91.499.6139.4-89.8171-6.300121.5
142Q27.8Very low27.3Very low172 Ų172151 Ų15180%0.80482%0.817SS**  29.4122.4119.6-68.9176.9-19.800118.4
143K26.4Very low27.1Very low210 Ų210154.4 Ų154.491%0.91381%0.814SS**  -167.3131.4112.6-110.4173.7-179.3177.90113.2
144N23.6Very low26.7Very low154 Ų154156.7 Ų156.782%0.82481%0.814SS**  trans-52137.3158.6-118.9-1.9000111
145V28.2Very low26.7Very low146 Ų146161.3 Ų161.389%0.88581%0.811SS**  trans-141.5127140.2-1740000108.7
146E23.6Very low26.8Very low154 Ų154157.1 Ų157.172%0.7280%0.803SS**  trans-79.5172.1-178.7-170.9-172154.100111.7
147V25.7Very low27.2Very low105 Ų105153.4 Ų153.464%0.63680%0.8SS**  trans11996.8145.4-174.80000118
148K25.7Very low27.1Very low167 Ų167150.9 Ų150.973%0.72680%0.8SS**  72.1111.1124-61.2178-166.4169.50122.8
149T25.5Very low27.1Very low123 Ų123153.3 Ų153.376%0.75580%0.803SS**  43.3124.8111.4-12.50000120
150K27.7Very low27.2Very low204 Ų204154 Ų15489%0.88781%0.81SS**  -172.8126.3110.8-101.1170.7-177.2-179.80114
151K26.7Very low27.3Very low198 Ų198154.7 Ų154.786%0.86182%0.815SS**  trans-51.7151.2155-91.6172165.9171.70111.4
152N24.6Very low27.4Very low165 Ų165150.5 Ų150.588%0.88281%0.814SS**  -158.9151.5111.2-144.16.2000114.3
153K28.3Very low27.2Very low168 Ų168146.1 Ų146.173%0.7382%0.815SS**  trans-132.2138.8-172.5166.3-173.4-178.4176.70107.4
154Q28.4Very low27.3Very low177 Ų177141.2 Ų141.283%0.82781%0.807SS**  trans165.1120.9143.1-97.7171.3-7.500109.3
155K29.4Very low27.5Very low178 Ų178140.1 Ų140.177%0.77481%0.806SS**  73.8107.379.1-83.6-166.3171.5-170.90115.3
156T30.8Very low27.7Very low125 Ų125138.3 Ų138.377%0.76780%0.8SS**  trans5.6157.1132.355.80000119.1
157P38.4Very low27.9Very low131 Ų131139.7 Ų139.785%0.85181%0.807SS**  cis-156.1-178.647.740-16.8000118.3
158G25.5Very low28.2Very low80 Ų80141.5 Ų141.583%0.82582%0.818SS**  trans154.9122.9155.500000118
159N26.9Very low28.5Very low181 Ų181139.6 Ų139.697%0.96882%0.822SS**  trans-71.1164.1-179.4-103.511.2000116
160G27.1Very low28.9Very low79 Ų79142.7 Ų142.781%0.81483%0.828SS**  trans169.9127.1155.900000116.5
161D27.3Very low29.3Very low174 Ų174138.5 Ų138.593%0.9382%0.822SS**  trans-79.7166.2-165-155.74.5000117.7
162G27.1Very low29.8Very low69 Ų69135.1 Ų135.171%0.71182%0.82SS**  trans100.5103140.300000123.3
163G24.4Very low30.2Very low80 Ų80138.7 Ų138.783%0.82582%0.822SS**  87103.4117.200000124.8
164S29.1Very low30.8Very low107 Ų107140.5 Ų140.575%0.74883%0.829SS**  85.7125.9124.9-138.70000126
165T28.2Very low31.1Very low131 Ų131142 Ų14280%0.80483%0.833SS**  trans68.5136.7148.653.30000120.1
166S30.5Very low31.5Very low109 Ų109145 Ų14576%0.76284%0.84SS**  cis-162.814428.245.40000114
167E29Very low31.8Very low183 Ų183143 Ų14386%0.85584%0.836SS**  trans40.8120.3141.2-54.6-165.1132.200125.5
168T31.2Very low31.8Very low143 Ų143148.4 Ų148.488%0.87784%0.839SS**  -176154.8109.427.90000111.6
169P33.1Very low32.6Very low126 Ų126150.3 Ų150.382%0.81884%0.835SS**  trans-103.8142.9-15232.2-21.8000116.1
170Q33.2Very low33Very low188 Ų188146.7 Ų146.788%0.87982%0.815SS**  trans-124.7145.5167.5-77-166.9000112
171P36.3Very low33.7Very low117 Ų117148.5 Ų148.576%0.7681%0.813SS**  trans-73.9155.9-170.830.1-34.5000113.6R173P171-R173 PolarHBondContact O-N 3.09Å
172P37Very low35Very low126 Ų126145.5 Ų145.582%0.81880%0.801SS**  trans-78.8119.1-160.829.9-32.9000112.5K174P172-K174 PolarHBondContact O-N 3.33Å; P172-K174 VanDerWaalsContact O-N 3.14Å
173R33.8Very low35.9Very low241 Ų241148 Ų14891%0.90980%0.802SS**  trans-57.7112.5161.2-84.2177.4164.7176.2-4109P171 K175P171-R173 PolarHBondContact O-N 3.09Å; R173-K175 PolarHBondContact O-N 2.7Å
174K39.9Very low36.6Very low206 Ų206150.4 Ų150.490%0.89679%0.792SS**  trans-54.9109.3166.7-76.7179.8177.7176.10108.6P172 R176P172-K174 PolarHBondContact O-N 3.33Å; P172-K174 VanDerWaalsContact O-N 3.14Å; K174-R176 PolarHBondContact O-N 3.41Å
175K34Very low37.4Very low207 Ų207150 Ų15090%0.978%0.781SS**  trans-53107.9163.8-78.6178.7175.5176.20107.3R173 A177R173-K175 PolarHBondContact O-N 2.7Å; K175-A177 PolarHBondContact O-N 3.39Å; K175-A177 VanDerWaalsContact O-N 3.12Å
176R39.7Very low38.4Very low243 Ų243148.7 Ų148.792%0.91777%0.766SS**  trans-58.2116.8161.4-85.8-179.6166.8-176.9-4.4105.9K174 R178K174-R176 PolarHBondContact O-N 3.41Å; R176-R178 PolarHBondContact O-N 3.31Å
177A35.3Very low39.1Very low83 Ų83148.8 Ų148.869%0.68675%0.754SS**  trans-50.1127.1169.600000107.7K175 V179K175-A177 PolarHBondContact O-N 3.39Å; K175-A177 VanDerWaalsContact O-N 3.12Å; A177-V179 PolarHBondContact O-N 3.21Å
178R40.2Very low40Very low243 Ų243144 Ų14492%0.91774%0.738SS**  trans-58.9102.1171-175.7178.3-176.3174.8-0.1106.1R176 D180R176-R178 PolarHBondContact O-N 3.31Å; R178-D180 PolarHBondContact O-N 3.07Å
179V42.3Very low40.8Very low121 Ų121141 Ų14173%0.73371%0.713SS**  trans-66.5127.8172.3-174.90000106.3A177A177-V179 PolarHBondContact O-N 3.21Å
180D34.6Very low41.3Very low104 Ų104137.3 Ų137.356%0.55669%0.685SS**  trans-52130.3174.5-144.1-62.1000109.4R178 T182R178-D180 PolarHBondContact O-N 3.07Å; D180-T182 PolarHBondContact O-N 2.86Å; D180-T182 PolarHBondContact OD1-OG1 3.14Å
181P42.3Very low41.9Very low118 Ų118133.8 Ų133.877%0.76667%0.672SS**THydrogen-bonded Turntrans-68.63.1-176.2-14.528.7000114.4
182T53.9Low42.8Very low110 Ų110132.1 Ų132.168%0.67565%0.651SS**THydrogen-bonded Turntrans-91.8-5.6-168.743.80000114.3D180D180-T182 PolarHBondContact O-N 2.86Å; D180-T182 PolarHBondContact OD1-OG1 3.14Å
183V45.4Very low43.8Very low122 Ų122132.3 Ų132.374%0.73965%0.649SS**  trans-111.590.1176.6-171.50000109.5
184E40.7Very low45.4Very low130 Ų130127 Ų12761%0.60764%0.635SS**  trans-68142.6171.5-64.8-171.114900110.9R192E184-R192 IonicContact OE2-NH2 2.69Å
185N45.9Very low47.2Very low99 Ų99118 Ų11853%0.52960%0.598SS.*  trans-62132.8180-173.437.9000111.4E187 T188 F189N185-E187 PolarHBondContact O-N 3.07Å; N185-E187 VanDerWaalsContact O-N 3.09Å; N185-T188 WeakPolarHBondContact O-CB 3.11Å; N185-T188 PolarHBondContact O-N 3.26Å; N185-T188 PolarHBondContact O-OG1 2.55Å; N185-F189 PolarHBondContact O-N 2.88Å
186E48Very low49.4Very low104 Ų104115.9 Ų115.949%0.48659%0.588SS.*Hα-helixtrans-57-27.3-174.3-161.7179.6-158.300113.4S99 F189 M190S99-E186 PolarHBondContact OG-OE2 2.91Å; E186-F189 WeakPolarHBondContact O-CB 3.14Å; E186-F189 PolarHBondContact O-N 3.15Å; E186-M190 PolarHBondContact O-N 3.14Å
187E44.4Very low51.8Low110 Ų110105.1 Ų105.151%0.51455%0.549SS..Hα-helixtrans-71.2-32.5173.2-79-179.9138.900113.6N185 F189 N191N185-E187 PolarHBondContact O-N 3.07Å; N185-E187 VanDerWaalsContact O-N 3.09Å; E187-F189 VanDerWaalsContact C-N 3.26Å; E187-N191 PolarHBondContact O-N 2.97Å
188T48.8Very low54.4Low84 Ų84108.3 Ų108.352%0.51555%0.548SS..Hα-helixtrans-72.3-26.6175.5-36.50000110.8N185N185-T188 WeakPolarHBondContact O-CB 3.11Å; N185-T188 PolarHBondContact O-N 3.26Å; N185-T188 PolarHBondContact O-OG1 2.55Å
189F47.2Very low56.9Low80 Ų8098.1 Ų98.135%0.35151%0.511SS..Hα-helixtrans-72.6-37.1177.1-170.8-101.4000112.7N185 E186 E187 Y315N185-F189 PolarHBondContact O-N 2.88Å; E186-F189 WeakPolarHBondContact O-CB 3.14Å; E186-F189 PolarHBondContact O-N 3.15Å; E187-F189 VanDerWaalsContact C-N 3.26Å; F189-Y315 HydrophobicContact CD1-CD1 4.12Å; F189-Y315 AromaticContact CE1-CD1 3.54Å; F189-Y315 HydrophobicContact CE1-CD1 3.54Å; F189-Y315 HydrophobicContact CE1-CE1 4.26Å; F189-Y315 HydrophobicContact CE1-CG 4.44Å; F189-Y315 AromaticContact CZ-CD1 3.94Å; F189-Y315 HydrophobicContact CZ-CD1 3.94Å
190M44.5Very low59.4Low48 Ų4893.3 Ų93.324%0.23648%0.482CS..Hα-helixtrans-79.7-19.7179-70.4-90.4-76.800113.9R100 E186 R192R100-M190 HydrophobicContact CG-CE 4.48Å; E186-M190 PolarHBondContact O-N 3.14Å; M190-R192 VanDerWaalsContact C-N 3.33Å
191N45.3Very low62Low114 Ų11494.3 Ų94.361%0.6148%0.484SS*.THydrogen-bonded Turntrans-89.79.9178.9-84.6-23.1000113.9E187 V193E187-N191 PolarHBondContact O-N 2.97Å; N191-V193 PolarHBondContact O-N 2.81Å
192R56.3Low64.4Low81 Ų8194.4 Ų94.431%0.30647%0.474SS..PPolyproline II helixtrans-65.7125175.6-72.5-176.6-179.1179.63.7109.4E184 M190 E194 A314E184-R192 IonicContact OE2-NH2 2.69Å; M190-R192 VanDerWaalsContact C-N 3.33Å; R192-E194 PolarHBondContact O-N 3.25Å; R192-A314 HydrophobicContact CB-CB 4.06Å; R192-A314 WeakPolarHBondContact CD-O 3.03Å; R192-A314 PolarHBondContact NH1-O 2.96Å
193V58.2Low66.3Low130 Ų13089.1 Ų89.179%0.78844%0.442SS*.PPolyproline II helixtrans-52.9121.4178.1177.30000108.5N191 V195N191-V193 PolarHBondContact O-N 2.81Å; V193-V195 PolarHBondContact O-N 2.94Å; V193-V195 VanDerWaalsContact O-N 3.14Å
194E66.8Low68.6Low131 Ų13187.4 Ų87.461%0.61242%0.424SS*.PPolyproline II helixtrans-51.9122175.8-176.7-179.5-172.100109.3R192 K196R192-E194 PolarHBondContact O-N 3.25Å; E194-K196 PolarHBondContact O-N 3.46Å
195V78.3Confident71Confident17 Ų1784.5 Ų84.510%0.10342%0.417CS..  trans-74.5106.3-177.4-179.10000108V193 V197 G310 L313 L323 L327V193-V195 PolarHBondContact O-N 2.94Å; V193-V195 VanDerWaalsContact O-N 3.14Å; V195-V197 PolarHBondContact O-N 3.1Å; V195-G310 PolarHBondContact N-O 3.29Å; V195-G310 CarbonylContact O-C 3.41Å; V195-G310 WeakPolarHBondContact O-CA 3.45Å; V195-L313 HydrophobicContact CB-CB 4.07Å; V195-L313 HydrophobicContact CG1-CB 4.46Å; V195-L313 HydrophobicContact CG1-CD1 4.31Å; V195-L313 HydrophobicContact CG2-CB 4.08Å; V195-L323 HydrophobicContact CG1-CD1 4.11Å; V195-L323 HydrophobicContact CG2-CD1 4.25Å; V195-L323 HydrophobicContact CG2-CD2 4.11Å; V195-L327 HydrophobicContact CG1-CD1 3.83Å; V195-L327 HydrophobicContact CG1-CD2 3.73Å; V195-L327 HydrophobicContact CG1-CG 4.17Å
196K79.9Confident73.3Confident161 Ų16183.4 Ų83.470%0.741%0.405SS*.  trans-7799.1-176.8-168.4170.9-1751710112.1E194E194-K196 PolarHBondContact O-N 3.46Å
197V89.1Confident75.4Confident17 Ų1780 Ų8010%0.10339%0.39CS..  trans-70.5126.9166-177.60000109V195 F306 I309 L313 L327 L334V195-V197 PolarHBondContact O-N 3.1Å; V197-F306 HydrophobicContact CG1-CD1 4.47Å; V197-I309 HydrophobicContact CG2-CG2 3.96Å; V197-L313 HydrophobicContact CG2-CD1 4.38Å; V197-L327 HydrophobicContact CG2-CD2 4.1Å; V197-L334 HydrophobicContact CG1-CD1 3.71Å
198K91.1Very high77.7Confident150 Ų15078.8 Ų78.865%0.65239%0.39SS*.  trans-91.3110.1-178.8-69.1-177.5-179.1177.40109.8H331K198-H331 PolarHBondContact N-NE2 2.99Å
199I92.5Very high79.8Confident29 Ų2978.6 Ų78.615%0.14939%0.386CS..  trans-73.7127.6171.8-52.7-57000109.5L203 K204 L207 F306 V307 L334I199-L203 HydrophobicContact CG2-CB 4.05Å; I199-K204 HydrophobicContact CG2-CG 4.24Å; I199-K204 WeakPolarHBondContact O-CE 3.49Å; I199-L207 HydrophobicContact CG2-CD1 4.13Å; I199-F306 HydrophobicContact CD1-CB 3.69Å; I199-V307 HydrophobicContact CD1-CG2 4.39Å; I199-V307 HydrophobicContact CG1-CG2 4.4Å; I199-L334 HydrophobicContact CD1-CD1 4.09Å; I199-L334 HydrophobicContact CD1-CD2 4.18Å
200P93.8Very high82Confident20 Ų2075.1 Ų75.113%0.1337%0.371CS..  trans-53.3144.3172.6-24.932.8000112.2E202 L203 L334 A338P200-E202 WeakPolarHBondContact CB-OE2 3.45Å; P200-E202 PolarHBondContact O-N 3.23Å; P200-L203 HydrophobicContact CB-CD1 4.44Å; P200-L203 HydrophobicContact CB-CG 4.41Å; P200-L203 HydrophobicContact CG-CD1 4.11Å; P200-L203 PolarHBondContact O-N 3.3Å; P200-L203 VanDerWaalsContact O-N 3.14Å; P200-L334 HydrophobicContact CG-CB 3.85Å; P200-A338 HydrophobicContact CB-CB 4.25Å; P200-A338 HydrophobicContact CG-CB 4.47Å
201E90Very high84.4Confident126 Ų12677.5 Ų77.559%0.58938%0.378SS*.G310 helixtrans-62.2-32.8-176.3-165.164.5-14800111.5L203 K204 P205E201-L203 PolarHBondContact O-N 2.83Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 IonicContact OE1-NZ 3.44Å; E201-K204 WeakPolarHBondContact OE2-CE 3.32Å; E201-K204 IonicContact OE2-NZ 2.7Å; E201-K204 PolarHBondContact OE2-NZ 3.05Å; E201-P205 WeakPolarHBondContact O-CD 3.48Å
202E93.3Very high86.7Confident119 Ų11972.8 Ų72.856%0.55635%0.352SS*.G310 helixtrans-65.8-24.7-179.7-5381.4-179.400112.7P200 A338P200-E202 WeakPolarHBondContact CB-OE2 3.45Å; P200-E202 PolarHBondContact O-N 3.23Å; E202-A338 HydrophobicContact CB-CB 4.44Å
203L93.2Very high88.5Confident0 Ų069.7 Ų69.70%034%0.342CS..G310 helixtrans-94.5-11.5-179.2-65.8-178.6000113.1I199 P200 E201 W206 L207 L303 L334 L337 A338 F345I199-L203 HydrophobicContact CG2-CB 4.05Å; P200-L203 HydrophobicContact CB-CD1 4.44Å; P200-L203 HydrophobicContact CB-CG 4.41Å; P200-L203 HydrophobicContact CG-CD1 4.11Å; P200-L203 PolarHBondContact O-N 3.3Å; P200-L203 VanDerWaalsContact O-N 3.14Å; E201-L203 PolarHBondContact O-N 2.83Å; L203-W206 PolarHBondContact O-N 2.9Å; L203-L207 PolarHBondContact O-N 2.95Å; L203-L303 HydrophobicContact CB-CD1 4.32Å; L203-L303 HydrophobicContact CB-CD2 4.13Å; L203-L303 HydrophobicContact CD1-CD1 3.79Å; L203-L303 HydrophobicContact CD2-CD2 4.46Å; L203-L334 HydrophobicContact CD1-CD2 4.32Å; L203-L337 HydrophobicContact CD1-CB 4.03Å; L203-A338 HydrophobicContact CD1-CB 4.11Å; L203-A338 HydrophobicContact CD2-CB 4.28Å; L203-A338 HydrophobicContact CG-CB 3.96Å; L203-F345 HydrophobicContact CD2-CD2 4.25Å; L203-F345 HydrophobicContact CD2-CE2 3.61Å; L203-F345 HydrophobicContact CD2-CZ 4.23Å
204K92.7Very high90.2Very high85 Ų8563.5 Ų63.537%0.3730%0.304SS..Hα-helixtrans-68.8-42.9179.4-65.8177.3-172.7168.70113.1I199 E201 W206 L207 V208I199-K204 HydrophobicContact CG2-CG 4.24Å; I199-K204 WeakPolarHBondContact O-CE 3.49Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 IonicContact OE1-NZ 3.44Å; E201-K204 WeakPolarHBondContact OE2-CE 3.32Å; E201-K204 IonicContact OE2-NZ 2.7Å; E201-K204 PolarHBondContact OE2-NZ 3.05Å; K204-W206 VanDerWaalsContact C-N 3.26Å; K204-W206 PolarHBondContact O-N 3.39Å; K204-L207 PolarHBondContact O-N 3.18Å; K204-V208 PolarHBondContact O-N 3.48Å; K204-V208 VanDerWaalsContact O-N 3.17Å
205P92.2Very high91.4Very high70 Ų7059 Ų5946%0.45529%0.285SS..Hα-helixtrans-55.9-44173.3-26.435.2000111.6E201 L207 V208 D209E201-P205 WeakPolarHBondContact O-CD 3.48Å; P205-L207 VanDerWaalsContact C-N 3.32Å; P205-L207 PolarHBondContact O-N 3.04Å; P205-V208 WeakPolarHBondContact O-CA 3.47Å; P205-V208 WeakPolarHBondContact O-CB 2.97Å; P205-V208 PolarHBondContact O-N 3.4Å; P205-D209 PolarHBondContact O-N 2.87Å
206W92.9Very high91.9Very high75 Ų7565 Ų6528%0.28431%0.306SS..Hα-helixtrans-58.5-38.6176.6-75.8112.2000113.8L203 K204 V208 D209 D210 F345L203-W206 PolarHBondContact O-N 2.9Å; K204-W206 VanDerWaalsContact C-N 3.26Å; K204-W206 PolarHBondContact O-N 3.39Å; W206-V208 VanDerWaalsContact C-N 3.33Å; W206-D209 PolarHBondContact O-N 3.22Å; W206-D210 WeakPolarHBondContact O-CB 3.33Å; W206-D210 PolarHBondContact O-N 3.48Å; W206-F345 HydrophobicContact CD2-CB 3.52Å; W206-F345 HydrophobicContact CD2-CG 4.14Å; W206-F345 HydrophobicContact CE3-CB 3.54Å; W206-F345 HydrophobicContact CE3-CG 4.43Å; W206-F345 HydrophobicContact CG-CB 4.15Å; W206-F345 HydrophobicContact CG-CD2 4.42Å; W206-F345 HydrophobicContact CG-CG 4.25Å; W206-F345 HydrophobicContact CH2-CB 3.89Å; W206-F345 WeakPolarHBondContact CH2-O 3.45Å; W206-F345 HydrophobicContact CZ2-CB 3.88Å; W206-F345 WeakPolarHBondContact CZ2-O 3.26Å; W206-F345 HydrophobicContact CZ3-CB 3.72Å
207L93.1Very high92.5Very high33 Ų3361.6 Ų61.617%0.17329%0.293CS..Hα-helixtrans-66.4-35174.4-76.8168.9000112.7I199 L203 K204 P205 W211 L303 R304 V307I199-L207 HydrophobicContact CG2-CD1 4.13Å; L203-L207 PolarHBondContact O-N 2.95Å; K204-L207 PolarHBondContact O-N 3.18Å; P205-L207 VanDerWaalsContact C-N 3.32Å; P205-L207 PolarHBondContact O-N 3.04Å; L207-W211 WeakPolarHBondContact O-CB 3.32Å; L207-W211 PolarHBondContact O-N 2.84Å; L207-W211 VanDerWaalsContact O-N 3.12Å; L207-L303 HydrophobicContact CD2-CD2 4.03Å; L207-L303 HydrophobicContact CD2-CG 3.92Å; L207-L303 HydrophobicContact CG-CD2 3.9Å; L207-L303 HydrophobicContact CG-CG 4.16Å; L207-R304 HydrophobicContact CD2-CG 4.39Å; L207-V307 HydrophobicContact CD1-CG2 3.7Å; L207-V307 HydrophobicContact CD2-CG2 4.12Å
208V93.5Very high92.8Very high84 Ų8464.5 Ų64.551%0.50930%0.304SS..Hα-helixtrans-70.8-44.1176.51770000110.1K204 P205 W206 W211 D212K204-V208 PolarHBondContact O-N 3.48Å; K204-V208 VanDerWaalsContact O-N 3.17Å; P205-V208 WeakPolarHBondContact O-CA 3.47Å; P205-V208 WeakPolarHBondContact O-CB 2.97Å; P205-V208 PolarHBondContact O-N 3.4Å; W206-V208 VanDerWaalsContact C-N 3.33Å; V208-W211 PolarHBondContact O-N 3.22Å; V208-D212 WeakPolarHBondContact O-CB 3.42Å; V208-D212 PolarHBondContact O-N 3.45Å
209D91.8Very high93.1Very high80 Ų8058.9 Ų58.943%0.42828%0.28SS..Hα-helixtrans-65.8-44.5178.7-66.1-21.6000111.3P205 W206 W211 D212 L213P205-D209 PolarHBondContact O-N 2.87Å; W206-D209 PolarHBondContact O-N 3.22Å; D209-W211 PolarHBondContact O-N 3.43Å; D209-D212 WeakPolarHBondContact O-CB 3.44Å; D209-D212 PolarHBondContact O-N 3.17Å; D209-D212 VanDerWaalsContact O-N 3.11Å; D209-L213 WeakPolarHBondContact O-CB 3.43Å; D209-L213 VanDerWaalsContact O-CG 3.23Å; D209-L213 WeakPolarHBondContact O-CG 3.42Å; D209-L213 PolarHBondContact O-N 2.94Å
210D94.4Very high93.3Very high8 Ų858.1 Ų58.14%0.04328%0.277CS..Hα-helixtrans-56.4-48.3173.1167.565.9000111.8W206 D212 L213 I214 R304 Y350W206-D210 WeakPolarHBondContact O-CB 3.33Å; W206-D210 PolarHBondContact O-N 3.48Å; D210-D212 VanDerWaalsContact C-N 3.29Å; D210-D212 PolarHBondContact O-N 3.33Å; D210-L213 PolarHBondContact O-N 3.48Å; D210-I214 WeakPolarHBondContact O-CG1 3.19Å; D210-I214 PolarHBondContact O-N 3.33Å; D210-I214 VanDerWaalsContact O-N 3.14Å; D210-R304 VanDerWaalsContact CG-NH2 3.31Å; D210-R304 IonicContact OD1-CZ 3.71Å; D210-R304 IonicContact OD1-NE 3.12Å; D210-R304 IonicContact OD1-NH2 3.02Å; D210-R304 PolarHBondContact OD1-NH2 3.29Å; D210-R304 IonicContact OD2-CZ 3.15Å; D210-R304 VanDerWaalsContact OD2-CZ 3.27Å; D210-R304 IonicContact OD2-NE 2.72Å; D210-R304 PolarHBondContact OD2-NE 3.11Å; D210-R304 IonicContact OD2-NH2 3.03Å; D210-R304 PolarHBondContact OD2-NH2 3.22Å; D210-R304 VanDerWaalsContact OD2-NH2 3.12Å; D210-Y350 PolarHBondContact OD1-OH 3.26Å
211W94.6Very high93.5Very high98 Ų9857.8 Ų57.837%0.37127%0.273SS..Hα-helixtrans-59-42.2174.5173.981.7000111.8F74 L207 V208 D209 T215 Y274F74-W211 HydrophobicContact CE1-CH2 4.25Å; F74-W211 HydrophobicContact CE2-CH2 4.49Å; F74-W211 AromaticContact CZ-CH2 3.95Å; F74-W211 HydrophobicContact CZ-CH2 3.95Å; F74-W211 AromaticContact CZ-CZ3 3.95Å; F74-W211 HydrophobicContact CZ-CZ3 3.95Å; L207-W211 WeakPolarHBondContact O-CB 3.32Å; L207-W211 PolarHBondContact O-N 2.84Å; L207-W211 VanDerWaalsContact O-N 3.12Å; V208-W211 PolarHBondContact O-N 3.22Å; D209-W211 PolarHBondContact O-N 3.43Å; W211-T215 VanDerWaalsContact CE2-OG1 3.3Å; W211-T215 HydrophobicContact CG-CG2 4.39Å; W211-T215 VanDerWaalsContact O-CB 3.3Å; W211-T215 WeakPolarHBondContact O-CB 3.44Å; W211-T215 WeakPolarHBondContact O-CG2 3.26Å; W211-T215 PolarHBondContact O-N 3.3Å; W211-T215 PolarHBondContact O-OG1 3.2Å; W211-Y274 AromaticContact CD1-CE1 3.67Å; W211-Y274 AromaticContact CD1-CZ 3.78Å
212D92.6Very high93.8Very high14 Ų1456.1 Ų56.18%0.07526%0.262CS..Hα-helixtrans-66.6-46.3-179.3-164.262.4000112.7V208 D209 D210 I214 R216 Q217V208-D212 WeakPolarHBondContact O-CB 3.42Å; V208-D212 PolarHBondContact O-N 3.45Å; D209-D212 WeakPolarHBondContact O-CB 3.44Å; D209-D212 PolarHBondContact O-N 3.17Å; D209-D212 VanDerWaalsContact O-N 3.11Å; D210-D212 VanDerWaalsContact C-N 3.29Å; D210-D212 PolarHBondContact O-N 3.33Å; D212-I214 VanDerWaalsContact C-N 3.34Å; D212-I214 PolarHBondContact O-N 3.4Å; D212-R216 VanDerWaalsContact CG-CZ 3.45Å; D212-R216 WeakPolarHBondContact O-CA 3.47Å; D212-R216 WeakPolarHBondContact O-CB 3.36Å; D212-R216 PolarHBondContact O-N 2.88Å; D212-R216 WeakPolarHBondContact OD1-CB 3.37Å; D212-R216 WeakPolarHBondContact OD1-CD 3.4Å; D212-R216 IonicContact OD1-CZ 3.51Å; D212-R216 IonicContact OD1-NE 2.96Å; D212-R216 PolarHBondContact OD1-NE 3.13Å; D212-R216 IonicContact OD1-NH1 3.67Å; D212-R216 PolarHBondContact OD1-NH1 3.38Å; D212-R216 IonicContact OD1-NH2 2.61Å; D212-R216 PolarHBondContact OD1-NH2 2.78Å; D212-R216 IonicContact OD2-CZ 2.84Å; D212-R216 IonicContact OD2-NE 3.6Å; D212-R216 IonicContact OD2-NH2 3.8Å; D212-R216 PolarHBondContact OD2-NH2 3.48Å; D212-Q217 PolarHBondContact O-N 2.88Å; D212-Q217 PolarHBondContact OD2-NE2 3.05Å
213L94.5Very high93.9Very high16 Ų1652.1 Ų52.18%0.08424%0.244CC..Hα-helixtrans-55.8-49.8178.2-74.8166.8000110.6D209 D210 Q217 K218 Q219 A347 Y350D209-L213 WeakPolarHBondContact O-CB 3.43Å; D209-L213 VanDerWaalsContact O-CG 3.23Å; D209-L213 WeakPolarHBondContact O-CG 3.42Å; D209-L213 PolarHBondContact O-N 2.94Å; D210-L213 PolarHBondContact O-N 3.48Å; L213-Q217 CarbonylContact O-C 3.35Å; L213-Q217 WeakPolarHBondContact O-CB 3.24Å; L213-K218 PolarHBondContact O-N 3.13Å; L213-K218 VanDerWaalsContact O-N 3.14Å; L213-Q219 HydrophobicContact CD2-CG 4.49Å; L213-Q219 PolarHBondContact O-N 2.94Å; L213-A347 HydrophobicContact CD1-CB 4.49Å; L213-Y350 HydrophobicContact CB-CD1 4.24Å; L213-Y350 HydrophobicContact CB-CE1 4.45Å; L213-Y350 HydrophobicContact CD1-CD1 4.36Å; L213-Y350 HydrophobicContact CD1-CD2 3.88Å; L213-Y350 HydrophobicContact CD1-CE1 4.43Å; L213-Y350 HydrophobicContact CD1-CE2 3.96Å; L213-Y350 HydrophobicContact CD1-CG 4.09Å
214I94Very high94Very high0 Ų056.1 Ų56.10%027%0.27CS..Hα-helixtrans-74.1-50.8-178.3-58.5-58.5000112D210 D212 Q219 Y274 F276 E277 Y350D210-I214 WeakPolarHBondContact O-CG1 3.19Å; D210-I214 PolarHBondContact O-N 3.33Å; D210-I214 VanDerWaalsContact O-N 3.14Å; D212-I214 VanDerWaalsContact C-N 3.34Å; D212-I214 PolarHBondContact O-N 3.4Å; I214-Q219 WeakPolarHBondContact CA-O 3.47Å; I214-Q219 WeakPolarHBondContact CD1-O 3.26Å; I214-Y274 HydrophobicContact CB-CD2 3.85Å; I214-Y274 HydrophobicContact CB-CE2 4.38Å; I214-Y274 HydrophobicContact CG1-CD2 4.12Å; I214-Y274 HydrophobicContact CG1-CE2 4.44Å; I214-Y274 HydrophobicContact CG2-CD2 3.7Å; I214-Y274 HydrophobicContact CG2-CG 4.21Å; I214-F276 HydrophobicContact CG2-CB 4.15Å; I214-F276 HydrophobicContact CG2-CD1 4.32Å; I214-F276 WeakPolarHBondContact O-CD1 3.29Å; I214-E277 HydrophobicContact CD1-CG 4.34Å; I214-E277 HydrophobicContact CG2-CG 3.77Å; I214-Y350 HydrophobicContact CD1-CD1 3.84Å; I214-Y350 HydrophobicContact CD1-CE1 3.66Å; I214-Y350 HydrophobicContact CG1-CE1 4.22Å
215T91.6Very high94.2Very high36 Ų3652.6 Ų52.622%0.22126%0.257CS..Hα-helixtrans-85.8-36.8-166.567.60000113.3W211 K218 Y274W211-T215 VanDerWaalsContact CE2-OG1 3.3Å; W211-T215 HydrophobicContact CG-CG2 4.39Å; W211-T215 VanDerWaalsContact O-CB 3.3Å; W211-T215 WeakPolarHBondContact O-CB 3.44Å; W211-T215 WeakPolarHBondContact O-CG2 3.26Å; W211-T215 PolarHBondContact O-N 3.3Å; W211-T215 PolarHBondContact O-OG1 3.2Å; T215-K218 WeakPolarHBondContact O-CE 3.41Å; T215-K218 PolarHBondContact O-NZ 3.35Å; T215-Y274 HydrophobicContact CG2-CD1 4.16Å; T215-Y274 HydrophobicContact CG2-CD2 4.38Å; T215-Y274 HydrophobicContact CG2-CG 4.04Å
216R90.4Very high94.3Very high143 Ų14356.9 Ų56.954%0.5427%0.269SS..THydrogen-bonded Turntrans-100.6-46.9-175.5-160.8173.871.1-166.7-9111.8D212 K218D212-R216 VanDerWaalsContact CG-CZ 3.45Å; D212-R216 WeakPolarHBondContact O-CA 3.47Å; D212-R216 WeakPolarHBondContact O-CB 3.36Å; D212-R216 PolarHBondContact O-N 2.88Å; D212-R216 WeakPolarHBondContact OD1-CB 3.37Å; D212-R216 WeakPolarHBondContact OD1-CD 3.4Å; D212-R216 IonicContact OD1-CZ 3.51Å; D212-R216 IonicContact OD1-NE 2.96Å; D212-R216 PolarHBondContact OD1-NE 3.13Å; D212-R216 IonicContact OD1-NH1 3.67Å; D212-R216 PolarHBondContact OD1-NH1 3.38Å; D212-R216 IonicContact OD1-NH2 2.61Å; D212-R216 PolarHBondContact OD1-NH2 2.78Å; D212-R216 IonicContact OD2-CZ 2.84Å; D212-R216 IonicContact OD2-NE 3.6Å; D212-R216 IonicContact OD2-NH2 3.8Å; D212-R216 PolarHBondContact OD2-NH2 3.48Å; R216-K218 VanDerWaalsContact C-N 3.32Å
217Q92.2Very high94.5Very high90 Ų9057.4 Ų57.442%0.42127%0.273SS..SBendtrans-85.1-6.5-177.1-52.9-175.729.100113.5D212 L213 Q219D212-Q217 PolarHBondContact O-N 2.88Å; D212-Q217 PolarHBondContact OD2-NE2 3.05Å; L213-Q217 CarbonylContact O-C 3.35Å; L213-Q217 WeakPolarHBondContact O-CB 3.24Å; Q217-Q219 HydrophobicContact CB-CG 4.06Å; Q217-Q219 PolarHBondContact O-N 3.1Å
218K95.3Very high94.7Very high79 Ų7957.4 Ų57.434%0.34327%0.273SS..  trans56.435.4178.1-52.1-56.4-174-166.80112.6L213 T215 R216 F276 A353L213-K218 PolarHBondContact O-N 3.13Å; L213-K218 VanDerWaalsContact O-N 3.14Å; T215-K218 WeakPolarHBondContact O-CE 3.41Å; T215-K218 PolarHBondContact O-NZ 3.35Å; R216-K218 VanDerWaalsContact C-N 3.32Å; K218-F276 HydrophobicContact CB-CE1 3.96Å; K218-F276 HydrophobicContact CB-CZ 3.8Å; K218-F276 HydrophobicContact CD-CD1 4.49Å; K218-F276 HydrophobicContact CD-CD2 4.16Å; K218-F276 HydrophobicContact CD-CE1 4.29Å; K218-F276 HydrophobicContact CD-CE2 3.95Å; K218-F276 HydrophobicContact CD-CG 4.43Å; K218-F276 HydrophobicContact CD-CZ 4.01Å; K218-F276 HydrophobicContact CG-CZ 4.41Å; K218-A353 VanDerWaalsContact O-CB 3.27Å; K218-A353 WeakPolarHBondContact O-CB 3.07Å; K218-A353 PolarHBondContact O-N 2.9Å
219Q96.5Very high94.9Very high32 Ų3253.4 Ų53.415%0.1525%0.249CC..EExtended strand (participates in β ladder)trans-89159.6170.2-54.8-166.732.500110.3L213 I214 Q217 E351 V352L213-Q219 HydrophobicContact CD2-CG 4.49Å; L213-Q219 PolarHBondContact O-N 2.94Å; I214-Q219 WeakPolarHBondContact CA-O 3.47Å; I214-Q219 WeakPolarHBondContact CD1-O 3.26Å; Q217-Q219 HydrophobicContact CB-CG 4.06Å; Q217-Q219 PolarHBondContact O-N 3.1Å; Q219-E351 CarbonylContact C-O 3.46Å; Q219-E351 WeakPolarHBondContact CA-O 3.34Å; Q219-E351 WeakPolarHBondContact CB-O 3.45Å; Q219-V352 HydrophobicContact CG-CG2 4.18Å
220L97.1Very high95.2Very high13 Ų1350.9 Ų50.97%0.06824%0.235CC..EExtended strand (participates in β ladder)trans-127146.8174-67.2168000108.9F276 E277 Y350 E351 A353 Y357L220-F276 HydrophobicContact CD2-CD1 3.84Å; L220-F276 HydrophobicContact CD2-CE1 3.97Å; L220-F276 HydrophobicContact CG-CD1 4.47Å; L220-F276 HydrophobicContact CG-CE1 4.11Å; L220-E277 HydrophobicContact CD2-CG 4.11Å; L220-Y350 CarbonylContact O-C 3.53Å; L220-Y350 WeakPolarHBondContact O-CA 3.41Å; L220-E351 PolarHBondContact N-O 2.79Å; L220-E351 PolarHBondContact O-N 2.98Å; L220-A353 HydrophobicContact CD1-CB 3.74Å; L220-A353 HydrophobicContact CG-CB 4.04Å; L220-Y357 HydrophobicContact CD1-CD1 3.74Å; L220-Y357 HydrophobicContact CD1-CD2 3.82Å; L220-Y357 HydrophobicContact CD1-CE1 3.51Å; L220-Y357 HydrophobicContact CD1-CE2 3.58Å; L220-Y357 HydrophobicContact CD1-CG 3.9Å; L220-Y357 VanDerWaalsContact CD1-CZ 3.41Å; L220-Y357 HydrophobicContact CD2-CE1 3.95Å; L220-Y357 HydrophobicContact CG-CE1 4.19Å
221F97.6Very high95.4Very high12 Ų1252.2 Ų52.25%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-70140.6172.4-171.8-96.9000110.1L223 A225 Q280 P300 H301 D349 Y350F221-L223 HydrophobicContact CD1-CD2 3.73Å; F221-L223 HydrophobicContact CD1-CG 4.41Å; F221-L223 HydrophobicContact CE1-CD2 4.22Å; F221-L223 PolarHBondContact O-N 2.83Å; F221-A225 HydrophobicContact CE1-CB 3.77Å; F221-A225 HydrophobicContact CZ-CB 4.4Å; F221-Q280 PolarHBondContact O-NE2 2.89Å; F221-P300 HydrophobicContact CD2-CG 3.91Å; F221-P300 HydrophobicContact CE2-CG 3.63Å; F221-P300 HydrophobicContact CZ-CG 4.38Å; F221-H301 AromaticContact CG-CE1 3.91Å; F221-D349 WeakPolarHBondContact CA-O 3.26Å; F221-D349 HydrophobicContact CD2-CB 4.18Å; F221-D349 WeakPolarHBondContact CD2-O 3.11Å; F221-D349 HydrophobicContact CE2-CB 3.6Å; F221-D349 HydrophobicContact CZ-CB 4.22Å; F221-Y350 HydrophobicContact CB-CD1 4.19Å; F221-Y350 HydrophobicContact CB-CE1 3.96Å; F221-Y350 HydrophobicContact CD2-CD1 4.48Å; F221-Y350 HydrophobicContact CD2-CD2 4.32Å; F221-Y350 HydrophobicContact CD2-CE1 4.05Å; F221-Y350 AromaticContact CD2-CE2 3.88Å; F221-Y350 HydrophobicContact CD2-CE2 3.88Å; F221-Y350 AromaticContact CD2-CZ 3.72Å; F221-Y350 HydrophobicContact CE2-CE2 4.44Å
222Y95.8Very high95.5Very high91 Ų9147.6 Ų47.636%0.35723%0.228SC..  trans-64.8119.6175.9-82.1-67000111.3D349 E351Y222-D349 VanDerWaalsContact CD2-C 3.46Å; Y222-D349 WeakPolarHBondContact CD2-O 3.38Å; Y222-D349 PolarHBondContact N-O 2.71Å; Y222-E351 HydrophobicContact CE1-CB 3.95Å; Y222-E351 HydrophobicContact CE1-CG 4.5Å; Y222-E351 WeakPolarHBondContact CE1-OE2 3.34Å; Y222-E351 HydrophobicContact CE2-CB 4.03Å; Y222-E351 WeakPolarHBondContact OH-CB 3.48Å; Y222-E351 WeakPolarHBondContact OH-CG 2.97Å; Y222-E351 PolarHBondContact OH-OE2 2.88Å
223L95.8Very high95.8Very high35 Ų3547 Ų4718%0.18323%0.225CC..SBendtrans-120.8140.4174.2-61179.4000110.4F221 Q280 I284 V296 Y297F221-L223 HydrophobicContact CD1-CD2 3.73Å; F221-L223 HydrophobicContact CD1-CG 4.41Å; F221-L223 HydrophobicContact CE1-CD2 4.22Å; F221-L223 PolarHBondContact O-N 2.83Å; L223-Q280 VanDerWaalsContact CD1-CD 3.45Å; L223-Q280 HydrophobicContact CD1-CG 3.89Å; L223-I284 HydrophobicContact CB-CD1 4.09Å; L223-I284 HydrophobicContact CD1-CD1 4.41Å; L223-I284 HydrophobicContact CD1-CG1 4.01Å; L223-V296 HydrophobicContact CB-CG1 4.37Å; L223-V296 HydrophobicContact CD2-CG1 4.32Å; L223-V296 WeakPolarHBondContact CD2-O 3.15Å; L223-Y297 HydrophobicContact CD1-CD1 4.07Å; L223-Y297 HydrophobicContact CD1-CE1 3.47Å; L223-Y297 VanDerWaalsContact CD1-CE1 3.47Å; L223-Y297 HydrophobicContact CD1-CE2 4.2Å; L223-Y297 HydrophobicContact CD2-CD1 3.75Å; L223-Y297 HydrophobicContact CD2-CE1 4.04Å; L223-Y297 HydrophobicContact CD2-CG 4.1Å; L223-Y297 HydrophobicContact CG-CE1 4.39Å
224P95.6Very high95.9Very high85 Ų8551.9 Ų51.955%0.55225%0.247SC*.SBendcis-64.7146.6-6-21.234.1000113.5K226P224-K226 PolarHBondContact O-N 2.68Å
225A96.4Very high96Very high11 Ų1154.7 Ų54.79%0.09126%0.262CS..  trans-65.2132.9-175.300000111.9F221 K227 N228 V296F221-A225 HydrophobicContact CE1-CB 3.77Å; F221-A225 HydrophobicContact CZ-CB 4.4Å; A225-K227 PolarHBondContact O-N 2.82Å; A225-N228 HydrophobicContact CB-CB 4.42Å; A225-V296 VanDerWaalsContact CB-O 3.26Å; A225-V296 WeakPolarHBondContact CB-O 3.39Å; A225-V296 PolarHBondContact N-O 3.29Å
226K94.4Very high96.2Very high160 Ų16053 Ų5370%0.69625%0.251SS*.SBendtrans-55.6-40.5174.2-62.6174.2-169.1153.70112.3P224 D349P224-K226 PolarHBondContact O-N 2.68Å; K226-D349 IonicContact NZ-OD1 3.59Å; K226-D349 PolarHBondContact NZ-OD1 3.11Å
227K96.4Very high96.3Very high86 Ų8646.5 Ų46.537%0.37423%0.229SC..SBendtrans-124.199.6172.7-170.572.6175.3-178.90108.2A225 I232 D235A225-K227 PolarHBondContact O-N 2.82Å; K227-I232 HydrophobicContact CG-CD1 4.47Å; K227-I232 HydrophobicContact CG-CG1 3.91Å; K227-D235 WeakPolarHBondContact CE-OD2 3.42Å; K227-D235 IonicContact NZ-OD1 2.83Å; K227-D235 PolarHBondContact NZ-OD1 2.95Å; K227-D235 IonicContact NZ-OD2 3.5Å; K227-D235 PolarHBondContact NZ-OD2 3.24Å
228N97.8Very high96.4Very high32 Ų3245.9 Ų45.917%0.17123%0.228CC..BIsolated β-bridgetrans-79.2166.2-176.964.919.3000113A225 D230 S231 I232 Q295 Y297A225-N228 HydrophobicContact CB-CB 4.42Å; N228-D230 VanDerWaalsContact C-N 3.29Å; N228-D230 PolarHBondContact O-N 3.42Å; N228-S231 PolarHBondContact O-N 3.17Å; N228-S231 VanDerWaalsContact OD1-CB 3.26Å; N228-S231 WeakPolarHBondContact OD1-CB 3.42Å; N228-S231 PolarHBondContact OD1-N 3.41Å; N228-S231 PolarHBondContact OD1-OG 2.91Å; N228-I232 WeakPolarHBondContact O-CG1 3.26Å; N228-I232 PolarHBondContact O-N 3.45Å; N228-I232 VanDerWaalsContact O-N 3.11Å; N228-Q295 VanDerWaalsContact CB-O 3.24Å; N228-Q295 WeakPolarHBondContact CB-O 3.4Å; N228-Q295 PolarHBondContact ND2-O 3.02Å; N228-Q295 VanDerWaalsContact ND2-O 3.07Å; N228-Y297 CarbonylContact C-O 3.48Å; N228-Y297 VanDerWaalsContact CA-O 3.23Å; N228-Y297 WeakPolarHBondContact CA-O 3.4Å
229V98.2Very high96.2Very high0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-57.9-41.7179.9172.60000111.7S231 I232 L233 F264 S294 Y297 L302V229-S231 VanDerWaalsContact C-N 3.31Å; V229-S231 PolarHBondContact O-N 3.36Å; V229-I232 PolarHBondContact O-N 3.39Å; V229-I232 VanDerWaalsContact O-N 3.15Å; V229-L233 HydrophobicContact CG1-CD1 3.7Å; V229-L233 HydrophobicContact CG1-CG 4.02Å; V229-L233 WeakPolarHBondContact O-CB 3.2Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.24Å; V229-L233 PolarHBondContact O-N 3.35Å; V229-F264 HydrophobicContact CB-CD1 4.45Å; V229-F264 HydrophobicContact CB-CE1 4.3Å; V229-F264 HydrophobicContact CG1-CD1 4.3Å; V229-F264 HydrophobicContact CG1-CG 4.46Å; V229-F264 HydrophobicContact CG2-CD1 4.16Å; V229-F264 HydrophobicContact CG2-CE1 3.66Å; V229-F264 HydrophobicContact CG2-CE2 4.2Å; V229-F264 HydrophobicContact CG2-CZ 3.67Å; V229-S294 WeakPolarHBondContact CB-O 3.29Å; V229-S294 PolarHBondContact N-O 3.46Å; V229-S294 VanDerWaalsContact N-O 3.12Å; V229-Y297 WeakPolarHBondContact CG2-O 3.5Å; V229-Y297 PolarHBondContact N-O 3.49Å; V229-L302 HydrophobicContact CG1-CD1 3.85Å; V229-L302 HydrophobicContact CG1-CD2 4Å; V229-L302 HydrophobicContact CG1-CG 4.38Å; V229-L302 HydrophobicContact CG2-CB 3.87Å; V229-L302 HydrophobicContact CG2-CD1 4.47Å; V229-L302 HydrophobicContact CG2-CD2 4.33Å; V229-L302 HydrophobicContact CG2-CG 4.45Å
230D97.9Very high95.9Very high27 Ų2745.7 Ų45.714%0.14423%0.226CC..Hα-helixtrans-54.7-47.7177.4-8818.8000111.9N228 I232 L233 E234 K261 S294 Q295N228-D230 VanDerWaalsContact C-N 3.29Å; N228-D230 PolarHBondContact O-N 3.42Å; D230-I232 PolarHBondContact O-N 3.04Å; D230-L233 PolarHBondContact O-N 3.24Å; D230-E234 WeakPolarHBondContact O-CB 3.48Å; D230-E234 PolarHBondContact O-N 2.88Å; D230-K261 WeakPolarHBondContact OD1-CD 3.42Å; D230-K261 WeakPolarHBondContact OD1-CE 3.42Å; D230-K261 IonicContact OD1-NZ 2.64Å; D230-K261 PolarHBondContact OD1-NZ 2.67Å; D230-K261 IonicContact OD2-NZ 3.84Å; D230-K261 PolarHBondContact OD2-NZ 3.15Å; D230-S294 PolarHBondContact N-O 3.25Å; D230-S294 WeakPolarHBondContact OD1-CB 3.46Å; D230-S294 PolarHBondContact OD1-OG 3.29Å; D230-Q295 HydrophobicContact CB-CG 4.48Å; D230-Q295 WeakPolarHBondContact OD2-CG 3.48Å
231S97.9Very high95.4Very high37 Ų3749.1 Ų49.126%0.25924%0.24SC..Hα-helixtrans-65.5-38178.2-59.20000112.5N228 V229 D235N228-S231 PolarHBondContact O-N 3.17Å; N228-S231 VanDerWaalsContact OD1-CB 3.26Å; N228-S231 WeakPolarHBondContact OD1-CB 3.42Å; N228-S231 PolarHBondContact OD1-N 3.41Å; N228-S231 PolarHBondContact OD1-OG 2.91Å; V229-S231 VanDerWaalsContact C-N 3.31Å; V229-S231 PolarHBondContact O-N 3.36Å; S231-D235 WeakPolarHBondContact O-CB 3.36Å; S231-D235 PolarHBondContact O-N 2.88Å
232I98.1Very high94.8Very high1 Ų153.1 Ų53.11%0.00527%0.27CS..Hα-helixtrans-66.7-42178.8-64.5164.6000110.7K227 N228 V229 D230 D235 Y236 A299 L302 F333 L337 L344K227-I232 HydrophobicContact CG-CD1 4.47Å; K227-I232 HydrophobicContact CG-CG1 3.91Å; N228-I232 WeakPolarHBondContact O-CG1 3.26Å; N228-I232 PolarHBondContact O-N 3.45Å; N228-I232 VanDerWaalsContact O-N 3.11Å; V229-I232 PolarHBondContact O-N 3.39Å; V229-I232 VanDerWaalsContact O-N 3.15Å; D230-I232 PolarHBondContact O-N 3.04Å; I232-D235 PolarHBondContact O-N 3.26Å; I232-Y236 PolarHBondContact O-N 2.95Å; I232-A299 HydrophobicContact CD1-CB 3.68Å; I232-L302 HydrophobicContact CG2-CD2 4.1Å; I232-F333 HydrophobicContact CG2-CZ 4.22Å; I232-L337 HydrophobicContact CG2-CD2 3.91Å; I232-L344 HydrophobicContact CD1-CD2 4.04Å; I232-L344 HydrophobicContact CG1-CD2 3.88Å
233L97.5Very high94Very high1 Ų157.3 Ų57.31%0.00529%0.285CS..Hα-helixtrans-67.2-39.6178.7-71.9177.7000111.7V229 D230 Y236 A237 V257 I260 K261 F333V229-L233 HydrophobicContact CG1-CD1 3.7Å; V229-L233 HydrophobicContact CG1-CG 4.02Å; V229-L233 WeakPolarHBondContact O-CB 3.2Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.24Å; V229-L233 PolarHBondContact O-N 3.35Å; D230-L233 PolarHBondContact O-N 3.24Å; L233-Y236 PolarHBondContact O-N 3.28Å; L233-A237 PolarHBondContact O-N 2.87Å; L233-V257 HydrophobicContact CB-CG1 3.79Å; L233-V257 HydrophobicContact CD1-CG1 4.4Å; L233-V257 HydrophobicContact CG-CG1 4.47Å; L233-I260 HydrophobicContact CD1-CG2 4.46Å; L233-I260 HydrophobicContact CD2-CB 4.21Å; L233-I260 HydrophobicContact CD2-CD1 4.45Å; L233-I260 HydrophobicContact CD2-CG2 3.86Å; L233-K261 HydrophobicContact CD1-CB 3.79Å; L233-K261 HydrophobicContact CD1-CG 4.43Å; L233-F333 HydrophobicContact CD2-CE2 3.88Å; L233-F333 HydrophobicContact CD2-CZ 3.73Å
234E96.6Very high92.5Very high118 Ų11857 Ų5755%0.55129%0.291SS*.Hα-helixtrans-64-46.3173.9-176.3172.4-163.200111.8D230 Y236 A237 N238D230-E234 WeakPolarHBondContact O-CB 3.48Å; D230-E234 PolarHBondContact O-N 2.88Å; E234-Y236 VanDerWaalsContact C-N 3.25Å; E234-Y236 PolarHBondContact O-N 2.96Å; E234-A237 PolarHBondContact O-N 3.38Å; E234-A237 VanDerWaalsContact O-N 3.13Å; E234-N238 WeakPolarHBondContact O-CB 3.28Å; E234-N238 PolarHBondContact O-N 3.43Å; E234-N238 PolarHBondContact O-ND2 2.93Å
235D96.7Very high90.5Very high59 Ų5961 Ų6132%0.31631%0.307SS..Hα-helixtrans-58-40.1175.9-71.3-15.4000111.5K227 S231 I232 Y239 Y336K227-D235 WeakPolarHBondContact CE-OD2 3.42Å; K227-D235 IonicContact NZ-OD1 2.83Å; K227-D235 PolarHBondContact NZ-OD1 2.95Å; K227-D235 IonicContact NZ-OD2 3.5Å; K227-D235 PolarHBondContact NZ-OD2 3.24Å; S231-D235 WeakPolarHBondContact O-CB 3.36Å; S231-D235 PolarHBondContact O-N 2.88Å; I232-D235 PolarHBondContact O-N 3.26Å; D235-Y239 VanDerWaalsContact O-CB 3.27Å; D235-Y239 WeakPolarHBondContact O-CB 3.4Å; D235-Y239 PolarHBondContact O-N 3.37Å; D235-Y336 WeakPolarHBondContact CB-OH 3.31Å
236Y95.4Very high89.1Confident0 Ų063.8 Ų63.80%032%0.323CS..Hα-helixtrans-65.7-45.7175.1172.9-106.2000112.3I232 L233 E234 N238 Y239 K240 V253 V257 D332 F333 Y336I232-Y236 PolarHBondContact O-N 2.95Å; L233-Y236 PolarHBondContact O-N 3.28Å; E234-Y236 VanDerWaalsContact C-N 3.25Å; E234-Y236 PolarHBondContact O-N 2.96Å; Y236-N238 VanDerWaalsContact C-N 3.29Å; Y236-N238 PolarHBondContact O-N 2.87Å; Y236-Y239 HydrophobicContact CD2-CD1 4.43Å; Y236-Y239 WeakPolarHBondContact O-CB 3.24Å; Y236-Y239 PolarHBondContact O-N 3.36Å; Y236-K240 HydrophobicContact CD1-CG 4.4Å; Y236-K240 HydrophobicContact CD2-CG 4.21Å; Y236-K240 HydrophobicContact CE1-CG 3.96Å; Y236-K240 HydrophobicContact CE2-CD 3.78Å; Y236-K240 HydrophobicContact CE2-CG 3.74Å; Y236-K240 WeakPolarHBondContact O-CG 3.29Å; Y236-K240 PolarHBondContact O-N 3Å; Y236-V253 HydrophobicContact CD1-CG1 4.43Å; Y236-V253 HydrophobicContact CE1-CG1 4.12Å; Y236-V257 HydrophobicContact CD1-CG2 3.89Å; Y236-V257 HydrophobicContact CE1-CG2 4.4Å; Y236-D332 WeakPolarHBondContact CE2-OD2 3.19Å; Y236-D332 PolarHBondContact OH-OD2 2.97Å; Y236-F333 AromaticContact CD1-CD2 3.53Å; Y236-F333 HydrophobicContact CD1-CD2 3.53Å; Y236-F333 HydrophobicContact CD1-CE2 4.03Å; Y236-F333 AromaticContact CD2-CD2 3.66Å; Y236-F333 HydrophobicContact CD2-CD2 3.66Å; Y236-F333 HydrophobicContact CD2-CE2 4.27Å; Y236-F333 HydrophobicContact CE1-CB 4.4Å; Y236-F333 AromaticContact CE1-CD2 3.86Å; Y236-F333 HydrophobicContact CE1-CD2 3.86Å; Y236-F333 HydrophobicContact CE2-CB 4.28Å; Y236-F333 AromaticContact CE2-CD2 3.99Å; Y236-F333 HydrophobicContact CE2-CD2 3.99Å; Y236-F333 AromaticContact CG-CD2 3.4Å; Y236-F333 HydrophobicContact CG-CD2 3.4Å; Y236-F333 VanDerWaalsContact CG-CD2 3.4Å; Y236-F333 AromaticContact CG-CE2 3.74Å; Y236-F333 HydrophobicContact CG-CE2 3.74Å; Y236-Y336 AromaticContact CD2-CD1 3.89Å; Y236-Y336 HydrophobicContact CD2-CD1 3.89Å; Y236-Y336 HydrophobicContact CD2-CD2 4.08Å; Y236-Y336 AromaticContact CD2-CG 3.65Å; Y236-Y336 HydrophobicContact CD2-CG 3.65Å; Y236-Y336 HydrophobicContact CE2-CG 4.38Å; Y236-Y336 HydrophobicContact CG-CD1 4.44Å
237A93.3Very high87.7Confident8 Ų862.2 Ų62.27%0.06632%0.323CS..Hα-helixtrans-57.1-46.7177.100000110.6L233 E234 Y239 K240 K241 V253 V257L233-A237 PolarHBondContact O-N 2.87Å; E234-A237 PolarHBondContact O-N 3.38Å; E234-A237 VanDerWaalsContact O-N 3.13Å; A237-Y239 PolarHBondContact O-N 3.28Å; A237-K240 PolarHBondContact O-N 3.5Å; A237-K240 VanDerWaalsContact O-N 3.14Å; A237-K241 WeakPolarHBondContact O-CG 3.37Å; A237-K241 PolarHBondContact O-N 2.88Å; A237-V253 HydrophobicContact CB-CG1 4.25Å; A237-V257 HydrophobicContact CB-CG2 4.44Å
238N93.5Very high86.6Confident76 Ų7665 Ų6541%0.40634%0.342SS..Hα-helixtrans-64.9-38.5177.3-68.5-25.8000112.6E234 Y236 K240 K241 S242E234-N238 WeakPolarHBondContact O-CB 3.28Å; E234-N238 PolarHBondContact O-N 3.43Å; E234-N238 PolarHBondContact O-ND2 2.93Å; Y236-N238 VanDerWaalsContact C-N 3.29Å; Y236-N238 PolarHBondContact O-N 2.87Å; N238-K240 VanDerWaalsContact C-N 3.28Å; N238-K240 PolarHBondContact O-N 3.34Å; N238-K241 PolarHBondContact O-N 2.99Å; N238-S242 PolarHBondContact O-N 3.21Å; N238-S242 PolarHBondContact O-OG 2.97Å
239Y91.4Very high85.5Confident54 Ų5469.4 Ų69.421%0.21236%0.359CS..Hα-helixtrans-60.2-37.2172.4171.6-102.5000112.4D235 Y236 A237 S242 R243 Y336D235-Y239 VanDerWaalsContact O-CB 3.27Å; D235-Y239 WeakPolarHBondContact O-CB 3.4Å; D235-Y239 PolarHBondContact O-N 3.37Å; Y236-Y239 HydrophobicContact CD2-CD1 4.43Å; Y236-Y239 WeakPolarHBondContact O-CB 3.24Å; Y236-Y239 PolarHBondContact O-N 3.36Å; A237-Y239 PolarHBondContact O-N 3.28Å; Y239-S242 PolarHBondContact O-OG 3.36Å; Y239-S242 VanDerWaalsContact O-OG 3.04Å; Y239-R243 PolarHBondContact O-N 3.18Å; Y239-R243 PolarHBondContact OH-NE 3.35Å; Y239-R243 PolarHBondContact OH-NH1 3.15Å; Y239-Y336 AromaticContact CD1-CD2 3.68Å; Y239-Y336 HydrophobicContact CD1-CD2 3.68Å; Y239-Y336 HydrophobicContact CD1-CE2 4.1Å; Y239-Y336 HydrophobicContact CD2-CD2 4.49Å; Y239-Y336 HydrophobicContact CD2-CE2 4.34Å; Y239-Y336 HydrophobicContact CE1-CD2 4Å; Y239-Y336 AromaticContact CG-CD2 3.94Å; Y239-Y336 HydrophobicContact CG-CD2 3.94Å; Y239-Y336 AromaticContact CG-CE2 3.88Å; Y239-Y336 HydrophobicContact CG-CE2 3.88Å
240K89.9Confident84.7Confident53 Ų5372.9 Ų72.923%0.2338%0.376CS..Hα-helixtrans-74.4-39.7177.4-65.3-63.8-69.2-165.70112.4Y236 A237 N238 R243 G244 V253 D332Y236-K240 HydrophobicContact CD1-CG 4.4Å; Y236-K240 HydrophobicContact CD2-CG 4.21Å; Y236-K240 HydrophobicContact CE1-CG 3.96Å; Y236-K240 HydrophobicContact CE2-CD 3.78Å; Y236-K240 HydrophobicContact CE2-CG 3.74Å; Y236-K240 WeakPolarHBondContact O-CG 3.29Å; Y236-K240 PolarHBondContact O-N 3Å; A237-K240 PolarHBondContact O-N 3.5Å; A237-K240 VanDerWaalsContact O-N 3.14Å; N238-K240 VanDerWaalsContact C-N 3.28Å; N238-K240 PolarHBondContact O-N 3.34Å; K240-R243 PolarHBondContact O-N 2.9Å; K240-G244 PolarHBondContact O-N 3.31Å; K240-V253 HydrophobicContact CB-CG1 4.08Å; K240-V253 HydrophobicContact CB-CG2 3.96Å; K240-V253 HydrophobicContact CG-CG1 4.16Å; K240-V253 HydrophobicContact CG-CG2 4.1Å; K240-D332 WeakPolarHBondContact CD-OD2 3.33Å; K240-D332 WeakPolarHBondContact CE-OD2 3.41Å; K240-D332 VanDerWaalsContact NZ-CG 3.31Å; K240-D332 IonicContact NZ-OD1 2.75Å; K240-D332 PolarHBondContact NZ-OD1 3.07Å; K240-D332 IonicContact NZ-OD2 2.65Å; K240-D332 PolarHBondContact NZ-OD2 3.26Å
241K86.9Confident83.9Confident85 Ų8578.9 Ų78.937%0.3740%0.397SS..Hα-helixtrans-59.6-44.9175.5-67.7178.3-163.4-152.90111.6A237 N238 R243 G244 E250A237-K241 WeakPolarHBondContact O-CG 3.37Å; A237-K241 PolarHBondContact O-N 2.88Å; N238-K241 PolarHBondContact O-N 2.99Å; K241-R243 VanDerWaalsContact C-N 3.27Å; K241-R243 PolarHBondContact O-N 3.13Å; K241-G244 PolarHBondContact O-N 3.3Å; K241-E250 HydrophobicContact CD-CG 4.31Å; K241-E250 WeakPolarHBondContact CD-OE1 3.49Å; K241-E250 WeakPolarHBondContact CE-OE1 3.48Å; K241-E250 HydrophobicContact CG-CG 4.07Å; K241-E250 IonicContact NZ-OE1 2.76Å; K241-E250 PolarHBondContact NZ-OE1 3.26Å
242S85.6Confident83.4Confident97 Ų9778.2 Ų78.268%0.67839%0.394SS*.Hα-helixtrans-69.1-20.6179.259.50000114.4N238 Y239N238-S242 PolarHBondContact O-N 3.21Å; N238-S242 PolarHBondContact O-OG 2.97Å; Y239-S242 PolarHBondContact O-OG 3.36Å; Y239-S242 VanDerWaalsContact O-OG 3.04Å
243R78.3Confident82.9Confident178 Ų17878.4 Ų78.467%0.67240%0.395SS*.Hα-helixtrans-97.4-7180-90.7-165.3171.7-154.3-2.8115.3Y239 K240 K241Y239-R243 PolarHBondContact O-N 3.18Å; Y239-R243 PolarHBondContact OH-NE 3.35Å; Y239-R243 PolarHBondContact OH-NH1 3.15Å; K240-R243 PolarHBondContact O-N 2.9Å; K241-R243 VanDerWaalsContact C-N 3.27Å; K241-R243 PolarHBondContact O-N 3.13Å
244G64.4Low82.4Confident30 Ų3081.2 Ų81.231%0.30941%0.41SS..  trans-155.9121.1-175.300000113.8K240 K241 T246K240-G244 PolarHBondContact O-N 3.31Å; K241-G244 PolarHBondContact O-N 3.3Å; G244-T246 PolarHBondContact O-N 3.22Å
245N54.3Low82Confident167 Ų16780.6 Ų80.689%0.89341%0.407SS*.  trans-94.556.5-174.1-161.135.9000112.8
246T66.1Low81.7Confident70 Ų7078.5 Ų78.543%0.42940%0.397SS..  trans-138.5114176.816.10000110.9G244 N248 K249 E250G244-T246 PolarHBondContact O-N 3.22Å; T246-N248 PolarHBondContact O-N 3.17Å; T246-N248 VanDerWaalsContact O-N 3.12Å; T246-K249 WeakPolarHBondContact O-CB 3.23Å; T246-K249 PolarHBondContact O-N 3.4Å; T246-K249 WeakPolarHBondContact OG1-CD 3.38Å; T246-E250 PolarHBondContact O-N 3.08Å
247D65.8Low81.6Confident128 Ų12879.4 Ų79.468%0.68440%0.402SS*.Hα-helixtrans-51.4-38.5-176.3-56.2-16000113K249 E250 Y251D247-K249 VanDerWaalsContact C-N 3.26Å; D247-K249 PolarHBondContact O-N 3.42Å; D247-E250 WeakPolarHBondContact O-CB 3.38Å; D247-E250 PolarHBondContact O-N 3Å; D247-E250 VanDerWaalsContact O-N 3.1Å; D247-Y251 PolarHBondContact O-N 2.86Å; D247-Y251 VanDerWaalsContact O-N 3.08Å
248N72.8Confident81.3Confident145 Ų14581.6 Ų81.678%0.77542%0.42SS*.Hα-helixtrans-62.5-30.1177.5-69.50.2000113.4T246 A252T246-N248 PolarHBondContact O-N 3.17Å; T246-N248 VanDerWaalsContact O-N 3.12Å; N248-A252 PolarHBondContact O-N 3.43Å
249K75.6Confident81.1Confident124 Ų12479.3 Ų79.354%0.53941%0.414SS..Hα-helixtrans-78.3-32.2175.9-68.4-177-172.3161.60111.4T246 D247 V253T246-K249 WeakPolarHBondContact O-CB 3.23Å; T246-K249 PolarHBondContact O-N 3.4Å; T246-K249 WeakPolarHBondContact OG1-CD 3.38Å; D247-K249 VanDerWaalsContact C-N 3.26Å; D247-K249 PolarHBondContact O-N 3.42Å; K249-V253 VanDerWaalsContact O-CG2 3.23Å; K249-V253 WeakPolarHBondContact O-CG2 3.46Å; K249-V253 PolarHBondContact O-N 3.26Å
250E80.1Confident81.3Confident73 Ų7376.9 Ų76.934%0.34141%0.405SS..Hα-helixtrans-65.5-46.7176.5-177.6173.5178.600110.9K241 T246 D247 A252 V253 N254K241-E250 HydrophobicContact CD-CG 4.31Å; K241-E250 WeakPolarHBondContact CD-OE1 3.49Å; K241-E250 WeakPolarHBondContact CE-OE1 3.48Å; K241-E250 HydrophobicContact CG-CG 4.07Å; K241-E250 IonicContact NZ-OE1 2.76Å; K241-E250 PolarHBondContact NZ-OE1 3.26Å; T246-E250 PolarHBondContact O-N 3.08Å; D247-E250 WeakPolarHBondContact O-CB 3.38Å; D247-E250 PolarHBondContact O-N 3Å; D247-E250 VanDerWaalsContact O-N 3.1Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 2.87Å; E250-V253 PolarHBondContact O-N 2.92Å; E250-N254 VanDerWaalsContact O-CG 3.29Å; E250-N254 PolarHBondContact O-N 3.46Å; E250-N254 PolarHBondContact O-ND2 3.37Å
251Y82.3Confident81.4Confident152 Ų15277.5 Ų77.560%0.59641%0.408SS*.Hα-helixtrans-55.9-48.9175-179.3-102.8000111.6D247 V253 N254 E255D247-Y251 PolarHBondContact O-N 2.86Å; D247-Y251 VanDerWaalsContact O-N 3.08Å; Y251-V253 VanDerWaalsContact C-N 3.33Å; Y251-V253 PolarHBondContact O-N 3.12Å; Y251-N254 PolarHBondContact O-N 2.93Å; Y251-E255 HydrophobicContact CD1-CG 4.2Å; Y251-E255 HydrophobicContact CE1-CG 3.73Å; Y251-E255 HydrophobicContact CE2-CG 4.13Å; Y251-E255 WeakPolarHBondContact O-CG 3.42Å; Y251-E255 PolarHBondContact O-N 3.34Å; Y251-E255 PolarHBondContact OH-OE1 3.1Å
252A85.9Confident81.5Confident23 Ų2379 Ų7919%0.1942%0.416CS..Hα-helixtrans-62.1-37178.300000113.4N248 E250 V256 Y329N248-A252 PolarHBondContact O-N 3.43Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 2.87Å; A252-V256 VanDerWaalsContact O-CG2 3.29Å; A252-V256 WeakPolarHBondContact O-CG2 3.44Å; A252-V256 PolarHBondContact O-N 3.14Å; A252-Y329 HydrophobicContact CB-CE2 4.08Å; A252-Y329 WeakPolarHBondContact CB-OH 3.28Å
253V88.4Confident81.7Confident5 Ų577.4 Ų77.43%0.0340%0.396CS..Hα-helixtrans-66-43.5175.9168.60000110.9Y236 A237 K240 K249 E250 Y251 V256 V257 Y329Y236-V253 HydrophobicContact CD1-CG1 4.43Å; Y236-V253 HydrophobicContact CE1-CG1 4.12Å; A237-V253 HydrophobicContact CB-CG1 4.25Å; K240-V253 HydrophobicContact CB-CG1 4.08Å; K240-V253 HydrophobicContact CB-CG2 3.96Å; K240-V253 HydrophobicContact CG-CG1 4.16Å; K240-V253 HydrophobicContact CG-CG2 4.1Å; K249-V253 VanDerWaalsContact O-CG2 3.23Å; K249-V253 WeakPolarHBondContact O-CG2 3.46Å; K249-V253 PolarHBondContact O-N 3.26Å; E250-V253 PolarHBondContact O-N 2.92Å; Y251-V253 VanDerWaalsContact C-N 3.33Å; Y251-V253 PolarHBondContact O-N 3.12Å; V253-V256 PolarHBondContact O-N 3.26Å; V253-V257 HydrophobicContact CG1-CG2 4.39Å; V253-V257 WeakPolarHBondContact O-CB 3.47Å; V253-V257 WeakPolarHBondContact O-CG2 3.4Å; V253-V257 PolarHBondContact O-N 2.97Å; V253-Y329 HydrophobicContact CG2-CD1 4.27Å; V253-Y329 HydrophobicContact CG2-CE1 3.71Å
254N87.4Confident82.5Confident60 Ų6068.9 Ų68.932%0.32136%0.364SS..Hα-helixtrans-63.7-42179-65.7-25.6000111.5E250 Y251 V257 A258E250-N254 VanDerWaalsContact O-CG 3.29Å; E250-N254 PolarHBondContact O-N 3.46Å; E250-N254 PolarHBondContact O-ND2 3.37Å; Y251-N254 PolarHBondContact O-N 2.93Å; N254-V257 PolarHBondContact O-N 2.64Å; N254-A258 WeakPolarHBondContact O-CB 3.28Å; N254-A258 PolarHBondContact O-N 3.08Å
255E88.5Confident83.8Confident105 Ų10569.4 Ų69.449%0.49136%0.359SS..Hα-helixtrans-61-44.2174.9-71.9-69.4128.200111.9Y251 A258 G259Y251-E255 HydrophobicContact CD1-CG 4.2Å; Y251-E255 HydrophobicContact CE1-CG 3.73Å; Y251-E255 HydrophobicContact CE2-CG 4.13Å; Y251-E255 WeakPolarHBondContact O-CG 3.42Å; Y251-E255 PolarHBondContact O-N 3.34Å; Y251-E255 PolarHBondContact OH-OE1 3.1Å; E255-A258 PolarHBondContact O-N 3.1Å; E255-G259 PolarHBondContact O-N 3.4Å
256V90.1Very high85.4Confident16 Ų1665.9 Ų65.910%0.09734%0.343CS..Hα-helixtrans-65.6-42.6177.41720000111.2A252 V253 G259 I260 L326 Y329 L330A252-V256 VanDerWaalsContact O-CG2 3.29Å; A252-V256 WeakPolarHBondContact O-CG2 3.44Å; A252-V256 PolarHBondContact O-N 3.14Å; V253-V256 PolarHBondContact O-N 3.26Å; V256-G259 PolarHBondContact O-N 3.06Å; V256-I260 HydrophobicContact CG1-CD1 3.79Å; V256-I260 HydrophobicContact CG1-CG1 4.35Å; V256-I260 VanDerWaalsContact O-CG1 3.31Å; V256-I260 WeakPolarHBondContact O-CG1 3.36Å; V256-I260 PolarHBondContact O-N 3.13Å; V256-L326 HydrophobicContact CG2-CD1 4.1Å; V256-Y329 HydrophobicContact CG2-CD2 4.12Å; V256-Y329 HydrophobicContact CG2-CG 4.01Å; V256-L330 HydrophobicContact CG1-CD2 4.3Å
257V92.4Very high86.5Confident18 Ų1862.7 Ų62.711%0.10932%0.324CS..Hα-helixtrans-61.3-45.6176.9158.50000111.1L233 Y236 A237 V253 N254 G259 I260 K261L233-V257 HydrophobicContact CB-CG1 3.79Å; L233-V257 HydrophobicContact CD1-CG1 4.4Å; L233-V257 HydrophobicContact CG-CG1 4.47Å; Y236-V257 HydrophobicContact CD1-CG2 3.89Å; Y236-V257 HydrophobicContact CE1-CG2 4.4Å; A237-V257 HydrophobicContact CB-CG2 4.44Å; V253-V257 HydrophobicContact CG1-CG2 4.39Å; V253-V257 WeakPolarHBondContact O-CB 3.47Å; V253-V257 WeakPolarHBondContact O-CG2 3.4Å; V253-V257 PolarHBondContact O-N 2.97Å; N254-V257 PolarHBondContact O-N 2.64Å; V257-G259 VanDerWaalsContact C-N 3.34Å; V257-G259 PolarHBondContact O-N 3.48Å; V257-I260 PolarHBondContact O-N 3.39Å; V257-K261 PolarHBondContact O-N 3.35Å
258A87.8Confident87.8Confident54 Ų5456.6 Ų56.645%0.44629%0.291SS..Hα-helixtrans-61.1-43.9175.400000111.3N254 E255 K261 E262N254-A258 WeakPolarHBondContact O-CB 3.28Å; N254-A258 PolarHBondContact O-N 3.08Å; E255-A258 PolarHBondContact O-N 3.1Å; A258-K261 WeakPolarHBondContact O-CB 3.29Å; A258-K261 PolarHBondContact O-N 3.22Å; A258-E262 PolarHBondContact O-N 3.34Å
259G89.5Confident88.5Confident28 Ų2850.2 Ų50.229%0.28926%0.26SS..Hα-helixtrans-58.8-49.9175.200000112.5E255 V256 V257 K261 E262 Y263E255-G259 PolarHBondContact O-N 3.4Å; V256-G259 PolarHBondContact O-N 3.06Å; V257-G259 VanDerWaalsContact C-N 3.34Å; V257-G259 PolarHBondContact O-N 3.48Å; G259-K261 VanDerWaalsContact C-N 3.29Å; G259-K261 PolarHBondContact O-N 3.19Å; G259-E262 PolarHBondContact O-N 3.41Å; G259-Y263 WeakPolarHBondContact O-CB 3.28Å; G259-Y263 VanDerWaalsContact O-CD2 3.26Å; G259-Y263 WeakPolarHBondContact O-CD2 3.28Å; G259-Y263 PolarHBondContact O-N 3.06Å
260I94.3Very high89Confident3 Ų348.6 Ų48.62%0.01526%0.26CS..Hα-helixtrans-58.3-43.5177.7-67.5163000110.7L233 V256 V257 F264 L302 L305 F306 L330 F333L233-I260 HydrophobicContact CD1-CG2 4.46Å; L233-I260 HydrophobicContact CD2-CB 4.21Å; L233-I260 HydrophobicContact CD2-CD1 4.45Å; L233-I260 HydrophobicContact CD2-CG2 3.86Å; V256-I260 HydrophobicContact CG1-CD1 3.79Å; V256-I260 HydrophobicContact CG1-CG1 4.35Å; V256-I260 VanDerWaalsContact O-CG1 3.31Å; V256-I260 WeakPolarHBondContact O-CG1 3.36Å; V256-I260 PolarHBondContact O-N 3.13Å; V257-I260 PolarHBondContact O-N 3.39Å; I260-F264 VanDerWaalsContact O-CB 3.28Å; I260-F264 WeakPolarHBondContact O-CB 3.48Å; I260-F264 PolarHBondContact O-N 2.65Å; I260-L302 HydrophobicContact CG2-CD1 3.81Å; I260-L305 HydrophobicContact CG2-CD2 4.04Å; I260-F306 HydrophobicContact CD1-CE1 4.47Å; I260-F306 HydrophobicContact CD1-CZ 4.07Å; I260-F306 HydrophobicContact CG1-CZ 4.33Å; I260-F306 HydrophobicContact CG2-CZ 4.19Å; I260-L330 HydrophobicContact CD1-CD2 4.02Å; I260-L330 HydrophobicContact CG1-CD2 4.01Å; I260-F333 HydrophobicContact CD1-CD1 4.33Å; I260-F333 HydrophobicContact CD1-CG 4.35Å
261K93.9Very high89.3Confident66 Ų6649 Ų4929%0.28726%0.262SS..Hα-helixtrans-59.7-47.9177.6-173.8-177.9-63.4-154.80111.8D230 L233 V257 A258 G259 F264 N265D230-K261 WeakPolarHBondContact OD1-CD 3.42Å; D230-K261 WeakPolarHBondContact OD1-CE 3.42Å; D230-K261 IonicContact OD1-NZ 2.64Å; D230-K261 PolarHBondContact OD1-NZ 2.67Å; D230-K261 IonicContact OD2-NZ 3.84Å; D230-K261 PolarHBondContact OD2-NZ 3.15Å; L233-K261 HydrophobicContact CD1-CB 3.79Å; L233-K261 HydrophobicContact CD1-CG 4.43Å; V257-K261 PolarHBondContact O-N 3.35Å; A258-K261 WeakPolarHBondContact O-CB 3.29Å; A258-K261 PolarHBondContact O-N 3.22Å; G259-K261 VanDerWaalsContact C-N 3.29Å; G259-K261 PolarHBondContact O-N 3.19Å; K261-F264 WeakPolarHBondContact O-CB 3.4Å; K261-F264 PolarHBondContact O-N 2.83Å; K261-N265 PolarHBondContact O-N 2.78Å; K261-N265 PolarHBondContact O-ND2 3.35Å
262E89.1Confident89.9Confident116 Ų11642 Ų4254%0.54224%0.235SC..Hα-helixtrans-65-46.5-178.8-169.459.9-157.500111.5A258 G259 F264 N265 V266A258-E262 PolarHBondContact O-N 3.34Å; G259-E262 PolarHBondContact O-N 3.41Å; E262-F264 VanDerWaalsContact C-N 3.27Å; E262-F264 PolarHBondContact O-N 3.02Å; E262-N265 PolarHBondContact O-N 3.15Å; E262-V266 WeakPolarHBondContact O-CG2 3.35Å; E262-V266 PolarHBondContact O-N 2.72Å
263Y89.6Confident90.4Very high64 Ų6441.6 Ų41.625%0.25123%0.23SC..Hα-helixtrans-57.8-42.1173.6-90.2-77.7000111.6G259 M267 I309 M312 T316G259-Y263 WeakPolarHBondContact O-CB 3.28Å; G259-Y263 VanDerWaalsContact O-CD2 3.26Å; G259-Y263 WeakPolarHBondContact O-CD2 3.28Å; G259-Y263 PolarHBondContact O-N 3.06Å; Y263-M267 HydrophobicContact CD1-SD 3.84Å; Y263-M267 WeakPolarHBondContact O-CB 3.1Å; Y263-M267 WeakPolarHBondContact O-CG 3.04Å; Y263-M267 PolarHBondContact O-N 3.12Å; Y263-I309 HydrophobicContact CD1-CD1 4.36Å; Y263-I309 HydrophobicContact CD1-CG1 4.25Å; Y263-I309 HydrophobicContact CD2-CD1 4.29Å; Y263-I309 HydrophobicContact CG-CD1 4.03Å; Y263-I309 HydrophobicContact CG-CG1 4.42Å; Y263-M312 HydrophobicContact CD1-CB 4.47Å; Y263-M312 HydrophobicContact CE1-CB 3.81Å; Y263-M312 HydrophobicContact CE1-CG 4.46Å; Y263-T316 PolarHBondContact OH-OG1 3.41Å; Y263-T316 VanDerWaalsContact OH-OG1 3.1Å
264F94.9Very high90.7Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-61.8-49177.7-173.4-101000111.8V229 I260 K261 E262 V266 M267 L268 L272 M293 H301 L302 L305V229-F264 HydrophobicContact CB-CD1 4.45Å; V229-F264 HydrophobicContact CB-CE1 4.3Å; V229-F264 HydrophobicContact CG1-CD1 4.3Å; V229-F264 HydrophobicContact CG1-CG 4.46Å; V229-F264 HydrophobicContact CG2-CD1 4.16Å; V229-F264 HydrophobicContact CG2-CE1 3.66Å; V229-F264 HydrophobicContact CG2-CE2 4.2Å; V229-F264 HydrophobicContact CG2-CZ 3.67Å; I260-F264 VanDerWaalsContact O-CB 3.28Å; I260-F264 WeakPolarHBondContact O-CB 3.48Å; I260-F264 PolarHBondContact O-N 2.65Å; K261-F264 WeakPolarHBondContact O-CB 3.4Å; K261-F264 PolarHBondContact O-N 2.83Å; E262-F264 VanDerWaalsContact C-N 3.27Å; E262-F264 PolarHBondContact O-N 3.02Å; F264-V266 VanDerWaalsContact C-N 3.33Å; F264-V266 PolarHBondContact O-N 3.03Å; F264-M267 PolarHBondContact O-N 2.82Å; F264-L268 HydrophobicContact CE1-CD1 3.64Å; F264-L268 HydrophobicContact CE2-CD1 3.86Å; F264-L268 HydrophobicContact CZ-CD1 3.23Å; F264-L268 VanDerWaalsContact O-CB 3.26Å; F264-L268 WeakPolarHBondContact O-CB 3.24Å; F264-L268 PolarHBondContact O-N 2.84Å; F264-L272 HydrophobicContact CD2-CD1 3.85Å; F264-L272 HydrophobicContact CE2-CD1 3.95Å; F264-M293 HydrophobicContact CE1-CB 4.33Å; F264-H301 HydrophobicContact CE2-CB 3.9Å; F264-H301 HydrophobicContact CZ-CB 3.87Å; F264-L302 HydrophobicContact CD2-CD1 4.08Å; F264-L302 HydrophobicContact CE2-CB 4.33Å; F264-L305 HydrophobicContact CB-CD2 4.02Å; F264-L305 HydrophobicContact CD2-CB 4.39Å; F264-L305 HydrophobicContact CD2-CD2 4.32Å
265N90.9Very high90.9Very high41 Ų4147.8 Ų47.822%0.21925%0.252CS..Hα-helixtrans-60.1-41.9-179.6-74.8-28.7000112.4K261 E262 M293 S294K261-N265 PolarHBondContact O-N 2.78Å; K261-N265 PolarHBondContact O-ND2 3.35Å; E262-N265 PolarHBondContact O-N 3.15Å; N265-M293 PolarHBondContact OD1-N 3.26Å; N265-S294 WeakPolarHBondContact OD1-CB 3.48Å; N265-S294 PolarHBondContact OD1-N 3.39Å; N265-S294 PolarHBondContact OD1-OG 2.94Å
266V88.4Confident91.3Very high92 Ų9243.6 Ų43.656%0.55823%0.232SC*.Hα-helixtrans-74.5-40.3179.1174.70000112.1E262 F264 T270E262-V266 WeakPolarHBondContact O-CG2 3.35Å; E262-V266 PolarHBondContact O-N 2.72Å; F264-V266 VanDerWaalsContact C-N 3.33Å; F264-V266 PolarHBondContact O-N 3.03Å; V266-T270 PolarHBondContact O-OG1 3.45Å
267M89Confident91.5Very high3 Ų342.9 Ų42.92%0.01523%0.228CC..Hα-helixtrans-85.9-21.6-172.3-66.4-177.373.300113.8Y263 F264 G269 T270 Q271 L272 L305 R308 M312Y263-M267 HydrophobicContact CD1-SD 3.84Å; Y263-M267 WeakPolarHBondContact O-CB 3.1Å; Y263-M267 WeakPolarHBondContact O-CG 3.04Å; Y263-M267 PolarHBondContact O-N 3.12Å; F264-M267 PolarHBondContact O-N 2.82Å; M267-G269 PolarHBondContact O-N 3.43Å; M267-T270 PolarHBondContact O-N 3.27Å; M267-T270 VanDerWaalsContact O-N 3.17Å; M267-T270 PolarHBondContact O-OG1 3.24Å; M267-Q271 HydrophobicContact CE-CB 4.3Å; M267-Q271 HydrophobicContact CE-CG 4.5Å; M267-Q271 PolarHBondContact O-N 3.49Å; M267-L272 HydrophobicContact CB-CD1 4.21Å; M267-L272 HydrophobicContact CB-CD2 4.47Å; M267-L272 HydrophobicContact CB-CG 4.15Å; M267-L272 PolarHBondContact O-N 2.75Å; M267-L305 HydrophobicContact CB-CD1 4.24Å; M267-L305 HydrophobicContact CE-CD1 4.28Å; M267-L305 HydrophobicContact CG-CD1 4.39Å; M267-L305 HydrophobicContact SD-CD1 3.44Å; M267-L305 WeakPolarHBondContact SD-CD1 3.46Å; M267-R308 HydrophobicContact CE-CB 3.81Å; M267-M312 HydrophobicContact CE-CG 3.57Å; M267-M312 HydrophobicContact CE-SD 4.42Å; M267-M312 HydrophobicContact SD-CG 3.76Å
268L92.6Very high91.6Very high0 Ų046.5 Ų46.50%024%0.24CC..Iπ-helixtrans-55.9-57.6-173.2-177.5124.9000111.9F264 T270 L272 L273 Y281 M293 Y297 H301F264-L268 HydrophobicContact CE1-CD1 3.64Å; F264-L268 HydrophobicContact CE2-CD1 3.86Å; F264-L268 HydrophobicContact CZ-CD1 3.23Å; F264-L268 VanDerWaalsContact O-CB 3.26Å; F264-L268 WeakPolarHBondContact O-CB 3.24Å; F264-L268 PolarHBondContact O-N 2.84Å; L268-T270 PolarHBondContact O-N 3.44Å; L268-T270 VanDerWaalsContact O-N 3.11Å; L268-L272 HydrophobicContact CB-CD1 4.42Å; L268-L272 PolarHBondContact O-N 3.11Å; L268-L273 HydrophobicContact CD2-CD1 4.15Å; L268-L273 HydrophobicContact CD2-CD2 4.43Å; L268-L273 HydrophobicContact CD2-CG 4.43Å; L268-L273 HydrophobicContact CG-CD2 4.37Å; L268-L273 HydrophobicContact CG-CG 4.39Å; L268-L273 WeakPolarHBondContact O-CG 3.34Å; L268-Y281 HydrophobicContact CD2-CD2 3.83Å; L268-Y281 HydrophobicContact CD2-CE2 3.68Å; L268-M293 HydrophobicContact CB-CB 4.14Å; L268-M293 HydrophobicContact CB-CG 4.3Å; L268-M293 HydrophobicContact CD1-CB 4.31Å; L268-M293 HydrophobicContact CD2-CB 3.88Å; L268-M293 HydrophobicContact CD2-CG 3.62Å; L268-M293 HydrophobicContact CD2-SD 3.65Å; L268-M293 HydrophobicContact CG-CB 4.31Å; L268-M293 HydrophobicContact CG-CG 4.45Å; L268-Y297 HydrophobicContact CD1-CD1 3.85Å; L268-Y297 HydrophobicContact CD1-CD2 3.58Å; L268-Y297 HydrophobicContact CD1-CE1 4.23Å; L268-Y297 HydrophobicContact CD1-CE2 4.01Å; L268-Y297 HydrophobicContact CD1-CG 3.5Å; L268-Y297 VanDerWaalsContact CD1-CG 3.5Å; L268-Y297 HydrophobicContact CD2-CD2 3.76Å; L268-Y297 HydrophobicContact CD2-CE1 4.4Å; L268-Y297 HydrophobicContact CD2-CE2 3.37Å; L268-Y297 HydrophobicContact CD2-CG 4.43Å; L268-Y297 HydrophobicContact CG-CD2 4.33Å; L268-Y297 HydrophobicContact CG-CE2 4.32Å; L268-H301 HydrophobicContact CD1-CB 4.21Å
269G88.1Confident92Very high12 Ų1244.7 Ų44.712%0.12422%0.223CC..Iπ-helixtrans-66.4-13.3-177.800000114.7M267 R278 Y281M267-G269 PolarHBondContact O-N 3.43Å; G269-R278 PolarHBondContact O-NH1 3.21Å; G269-Y281 VanDerWaalsContact CA-CZ 3.49Å; G269-Y281 WeakPolarHBondContact CA-OH 3.38Å
270T86.3Confident92.3Very high89 Ų8944.4 Ų44.455%0.54622%0.215SC..Iπ-helixtrans-110-42-173.953.90000112.8V266 M267 L268 R278V266-T270 PolarHBondContact O-OG1 3.45Å; M267-T270 PolarHBondContact O-N 3.27Å; M267-T270 VanDerWaalsContact O-N 3.17Å; M267-T270 PolarHBondContact O-OG1 3.24Å; L268-T270 PolarHBondContact O-N 3.44Å; L268-T270 VanDerWaalsContact O-N 3.11Å; T270-R278 PolarHBondContact O-NH2 3.21Å
271Q86.9Confident92.4Very high82 Ų8246.5 Ų46.538%0.38322%0.223SC..Iπ-helixtrans-128.8-15.3-165.3-60.4-174.337.100115.4M267M267-Q271 HydrophobicContact CE-CB 4.3Å; M267-Q271 HydrophobicContact CE-CG 4.5Å; M267-Q271 PolarHBondContact O-N 3.49Å
272L94.4Very high92.4Very high5 Ų546.1 Ų46.13%0.02623%0.232CC..Iπ-helixtrans-103.2-10.1-170.8-50-175.3000114.5F264 M267 L268 R304 L305 R308F264-L272 HydrophobicContact CD2-CD1 3.85Å; F264-L272 HydrophobicContact CE2-CD1 3.95Å; M267-L272 HydrophobicContact CB-CD1 4.21Å; M267-L272 HydrophobicContact CB-CD2 4.47Å; M267-L272 HydrophobicContact CB-CG 4.15Å; M267-L272 PolarHBondContact O-N 2.75Å; L268-L272 HydrophobicContact CB-CD1 4.42Å; L268-L272 PolarHBondContact O-N 3.11Å; L272-R304 WeakPolarHBondContact O-CD 3.5Å; L272-R304 PolarHBondContact O-NH1 3.31Å; L272-L305 HydrophobicContact CD1-CB 3.92Å; L272-L305 HydrophobicContact CD1-CD1 4.19Å; L272-L305 HydrophobicContact CD2-CB 4.41Å; L272-L305 HydrophobicContact CD2-CD1 4.47Å; L272-R308 HydrophobicContact CD2-CB 4.25Å; L272-R308 HydrophobicContact CD2-CG 4.15Å
273L95.6Very high92.7Very high14 Ų1443.8 Ų43.87%0.07322%0.221CC..  trans-99.4136-178.9-60.9174.2000111.8L268 E277 Y281 Y297L268-L273 HydrophobicContact CD2-CD1 4.15Å; L268-L273 HydrophobicContact CD2-CD2 4.43Å; L268-L273 HydrophobicContact CD2-CG 4.43Å; L268-L273 HydrophobicContact CG-CD2 4.37Å; L268-L273 HydrophobicContact CG-CG 4.39Å; L268-L273 WeakPolarHBondContact O-CG 3.34Å; L273-E277 HydrophobicContact CB-CB 4.37Å; L273-E277 HydrophobicContact CD2-CB 4.24Å; L273-Y281 HydrophobicContact CD1-CD1 3.98Å; L273-Y281 HydrophobicContact CD1-CD2 3.73Å; L273-Y281 HydrophobicContact CD1-CE2 4.43Å; L273-Y281 HydrophobicContact CD1-CG 3.46Å; L273-Y281 VanDerWaalsContact CD1-CG 3.46Å; L273-Y297 HydrophobicContact CD2-CE1 3.93Å
274Y95.4Very high92.9Very high60 Ų6041.3 Ų41.324%0.23521%0.212CC..  trans-72.6161.6168.6-62.6-61.4000110.9W211 I214 T215 F276 E277W211-Y274 AromaticContact CD1-CE1 3.67Å; W211-Y274 AromaticContact CD1-CZ 3.78Å; I214-Y274 HydrophobicContact CB-CD2 3.85Å; I214-Y274 HydrophobicContact CB-CE2 4.38Å; I214-Y274 HydrophobicContact CG1-CD2 4.12Å; I214-Y274 HydrophobicContact CG1-CE2 4.44Å; I214-Y274 HydrophobicContact CG2-CD2 3.7Å; I214-Y274 HydrophobicContact CG2-CG 4.21Å; T215-Y274 HydrophobicContact CG2-CD1 4.16Å; T215-Y274 HydrophobicContact CG2-CD2 4.38Å; T215-Y274 HydrophobicContact CG2-CG 4.04Å; Y274-F276 PolarHBondContact O-N 2.89Å; Y274-F276 VanDerWaalsContact O-N 3.15Å; Y274-E277 WeakPolarHBondContact CB-OE2 3.44Å; Y274-E277 WeakPolarHBondContact CD2-OE2 3.41Å; Y274-E277 PolarHBondContact N-OE2 3.48Å; Y274-E277 PolarHBondContact O-N 3.39Å
275K92.2Very high92.8Very high136 Ų13644.8 Ų44.859%0.59123%0.23SC*.G310 helixtrans-54.2-37.9179-168.8-170.7172.3-156.50111.9E277 R278 V362K275-E277 VanDerWaalsContact C-N 3.31Å; K275-E277 PolarHBondContact O-N 2.69Å; K275-R278 WeakPolarHBondContact O-CB 2.99Å; K275-R278 VanDerWaalsContact O-CG 3.26Å; K275-R278 WeakPolarHBondContact O-CG 3.34Å; K275-R278 PolarHBondContact O-N 2.91Å; K275-V362 PolarHBondContact NZ-OXT 2.65Å
276F95.2Very high92.9Very high17 Ų1746.3 Ų46.38%0.07525%0.248CC..G310 helixtrans-70.5-22.5-177.9-167-113.2000113.9I214 K218 L220 Y274 R278 A353 Y357 H358 A361I214-F276 HydrophobicContact CG2-CB 4.15Å; I214-F276 HydrophobicContact CG2-CD1 4.32Å; I214-F276 WeakPolarHBondContact O-CD1 3.29Å; K218-F276 HydrophobicContact CB-CE1 3.96Å; K218-F276 HydrophobicContact CB-CZ 3.8Å; K218-F276 HydrophobicContact CD-CD1 4.49Å; K218-F276 HydrophobicContact CD-CD2 4.16Å; K218-F276 HydrophobicContact CD-CE1 4.29Å; K218-F276 HydrophobicContact CD-CE2 3.95Å; K218-F276 HydrophobicContact CD-CG 4.43Å; K218-F276 HydrophobicContact CD-CZ 4.01Å; K218-F276 HydrophobicContact CG-CZ 4.41Å; L220-F276 HydrophobicContact CD2-CD1 3.84Å; L220-F276 HydrophobicContact CD2-CE1 3.97Å; L220-F276 HydrophobicContact CG-CD1 4.47Å; L220-F276 HydrophobicContact CG-CE1 4.11Å; Y274-F276 PolarHBondContact O-N 2.89Å; Y274-F276 VanDerWaalsContact O-N 3.15Å; F276-R278 VanDerWaalsContact C-N 3.34Å; F276-A353 HydrophobicContact CE1-CB 3.82Å; F276-A353 HydrophobicContact CZ-CB 3.7Å; F276-Y357 HydrophobicContact CD1-CE1 4.37Å; F276-Y357 HydrophobicContact CD2-CE1 4.47Å; F276-Y357 HydrophobicContact CE1-CD1 4.31Å; F276-Y357 HydrophobicContact CE1-CE1 4.03Å; F276-Y357 HydrophobicContact CE2-CD1 4.23Å; F276-Y357 HydrophobicContact CE2-CE1 4.15Å; F276-Y357 AromaticContact CZ-CD1 3.86Å; F276-Y357 HydrophobicContact CZ-CD1 3.86Å; F276-Y357 AromaticContact CZ-CE1 3.91Å; F276-Y357 HydrophobicContact CZ-CE1 3.91Å; F276-Y357 VanDerWaalsContact O-CE1 3.24Å; F276-Y357 WeakPolarHBondContact O-CE1 3.41Å; F276-Y357 PolarHBondContact O-OH 3.47Å; F276-H358 AromaticContact CZ-NE2 3.85Å; F276-A361 HydrophobicContact CD2-CB 3.55Å; F276-A361 HydrophobicContact CE2-CB 3.6Å
277E95.8Very high93.2Very high0 Ų047.4 Ų47.40%025%0.251CS..G310 helixtrans-86.4-5.5178.7-67.2166.8119.700112.6I214 L220 L273 Y274 K275 Q280 Y281 H301 R304I214-E277 HydrophobicContact CD1-CG 4.34Å; I214-E277 HydrophobicContact CG2-CG 3.77Å; L220-E277 HydrophobicContact CD2-CG 4.11Å; L273-E277 HydrophobicContact CB-CB 4.37Å; L273-E277 HydrophobicContact CD2-CB 4.24Å; Y274-E277 WeakPolarHBondContact CB-OE2 3.44Å; Y274-E277 WeakPolarHBondContact CD2-OE2 3.41Å; Y274-E277 PolarHBondContact N-OE2 3.48Å; Y274-E277 PolarHBondContact O-N 3.39Å; K275-E277 VanDerWaalsContact C-N 3.31Å; K275-E277 PolarHBondContact O-N 2.69Å; E277-Q280 PolarHBondContact O-N 2.88Å; E277-Y281 PolarHBondContact O-N 2.76Å; E277-H301 IonicContact OE1-CD2 3.42Å; E277-H301 IonicContact OE1-CE1 2.76Å; E277-H301 IonicContact OE1-NE2 2.89Å; E277-H301 PolarHBondContact OE1-NE2 3.12Å; E277-R304 VanDerWaalsContact CD-NH1 3.34Å; E277-R304 IonicContact OE1-CZ 2.72Å; E277-R304 IonicContact OE1-NH1 3.4Å; E277-R304 PolarHBondContact OE1-NH1 2.72Å; E277-R304 VanDerWaalsContact OE1-NH1 3.11Å; E277-R304 IonicContact OE1-NH2 3.08Å; E277-R304 PolarHBondContact OE1-NH2 3.42Å; E277-R304 VanDerWaalsContact OE1-NH2 3.15Å; E277-R304 IonicContact OE2-CZ 3.41Å; E277-R304 IonicContact OE2-NH1 2.74Å; E277-R304 PolarHBondContact OE2-NH1 3.13Å; E277-R304 IonicContact OE2-NH2 3.88Å
278R94.8Very high93.3Very high95 Ų9551.1 Ų51.136%0.35827%0.268SS..Hα-helixtrans-62-43-174.9-63.4-61-166.3165.50.7113.7G269 T270 K275 F276 Y281 A282G269-R278 PolarHBondContact O-NH1 3.21Å; T270-R278 PolarHBondContact O-NH2 3.21Å; K275-R278 WeakPolarHBondContact O-CB 2.99Å; K275-R278 VanDerWaalsContact O-CG 3.26Å; K275-R278 WeakPolarHBondContact O-CG 3.34Å; K275-R278 PolarHBondContact O-N 2.91Å; F276-R278 VanDerWaalsContact C-N 3.34Å; R278-Y281 PolarHBondContact O-N 3.17Å; R278-A282 PolarHBondContact O-N 2.85Å
279P95.8Very high93Very high16 Ų1655.5 Ų55.510%0.10430%0.297CS..Hα-helixtrans-62.3-43.7174.9-22.833.7000112.8Y281 A282 E283 Y357 K360 A361P279-Y281 VanDerWaalsContact C-N 3.3Å; P279-Y281 PolarHBondContact O-N 3.11Å; P279-A282 PolarHBondContact O-N 3.48Å; P279-A282 VanDerWaalsContact O-N 3.13Å; P279-E283 WeakPolarHBondContact O-CG 3.3Å; P279-E283 PolarHBondContact O-N 3.2Å; P279-Y357 HydrophobicContact CB-CE2 3.79Å; P279-Y357 WeakPolarHBondContact CD-OH 3.35Å; P279-Y357 HydrophobicContact CG-CE1 4.43Å; P279-K360 HydrophobicContact CB-CB 3.84Å; P279-K360 HydrophobicContact CG-CB 3.98Å; P279-K360 WeakPolarHBondContact CG-O 3.39Å; P279-A361 HydrophobicContact CG-CB 3.84Å
280Q95.9Very high93.2Very high22 Ų2262.4 Ų62.410%0.10333%0.331CS..Hα-helixtrans-58.8-43.6177.2-174.2-174.650.800111F221 L223 E277 A282 E283 I284 Y357F221-Q280 PolarHBondContact O-NE2 2.89Å; L223-Q280 VanDerWaalsContact CD1-CD 3.45Å; L223-Q280 HydrophobicContact CD1-CG 3.89Å; E277-Q280 PolarHBondContact O-N 2.88Å; Q280-A282 PolarHBondContact O-N 2.99Å; Q280-E283 PolarHBondContact O-N 3.3Å; Q280-I284 WeakPolarHBondContact O-CG1 3.38Å; Q280-I284 PolarHBondContact O-N 3.41Å; Q280-Y357 HydrophobicContact CB-CE2 3.76Å; Q280-Y357 VanDerWaalsContact CB-OH 3.28Å; Q280-Y357 WeakPolarHBondContact CB-OH 2.95Å; Q280-Y357 PolarHBondContact N-OH 3.38Å
281Y95.8Very high93.4Very high47 Ų4759.5 Ų59.518%0.18432%0.316CS..Hα-helixtrans-62.6-40.9176174.8-112.5000113L268 G269 L273 E277 R278 P279 E283 I284 L285 M293 Y297L268-Y281 HydrophobicContact CD2-CD2 3.83Å; L268-Y281 HydrophobicContact CD2-CE2 3.68Å; G269-Y281 VanDerWaalsContact CA-CZ 3.49Å; G269-Y281 WeakPolarHBondContact CA-OH 3.38Å; L273-Y281 HydrophobicContact CD1-CD1 3.98Å; L273-Y281 HydrophobicContact CD1-CD2 3.73Å; L273-Y281 HydrophobicContact CD1-CE2 4.43Å; L273-Y281 HydrophobicContact CD1-CG 3.46Å; L273-Y281 VanDerWaalsContact CD1-CG 3.46Å; E277-Y281 PolarHBondContact O-N 2.76Å; R278-Y281 PolarHBondContact O-N 3.17Å; P279-Y281 VanDerWaalsContact C-N 3.3Å; P279-Y281 PolarHBondContact O-N 3.11Å; Y281-E283 VanDerWaalsContact C-N 3.32Å; Y281-E283 PolarHBondContact O-N 2.86Å; Y281-I284 PolarHBondContact O-N 2.93Å; Y281-L285 HydrophobicContact CD1-CD1 4.19Å; Y281-L285 HydrophobicContact CD2-CG 4.5Å; Y281-L285 HydrophobicContact CE1-CD1 3.54Å; Y281-L285 HydrophobicContact CE1-CG 4.26Å; Y281-L285 HydrophobicContact CE2-CD1 4.17Å; Y281-L285 HydrophobicContact CE2-CD2 4.2Å; Y281-L285 HydrophobicContact CE2-CG 4.04Å; Y281-L285 WeakPolarHBondContact O-CG 3.47Å; Y281-L285 PolarHBondContact O-N 2.9Å; Y281-M293 HydrophobicContact CD2-SD 4.16Å; Y281-M293 HydrophobicContact CE2-CG 4.42Å; Y281-M293 HydrophobicContact CE2-SD 3.6Å; Y281-M293 VanDerWaalsContact CE2-SD 3.6Å; Y281-Y297 HydrophobicContact CD2-CE2 4.46Å
282A94.8Very high93.8Very high58 Ų5857.7 Ų57.748%0.47931%0.311SS..Hα-helixtrans-64.4-37.9176.500000112.1R278 P279 Q280 L285 A286R278-A282 PolarHBondContact O-N 2.85Å; P279-A282 PolarHBondContact O-N 3.48Å; P279-A282 VanDerWaalsContact O-N 3.13Å; Q280-A282 PolarHBondContact O-N 2.99Å; A282-L285 PolarHBondContact O-N 3.17Å; A282-A286 PolarHBondContact O-N 3.17Å; A282-A286 VanDerWaalsContact O-N 3.15Å
283E94.1Very high93.7Very high67 Ų6758.1 Ų58.131%0.31331%0.313SS..Hα-helixtrans-63.9-46.3173.8-71.2172.8-174.500111.2P279 Q280 Y281 L285 A286 D287 K360P279-E283 WeakPolarHBondContact O-CG 3.3Å; P279-E283 PolarHBondContact O-N 3.2Å; Q280-E283 PolarHBondContact O-N 3.3Å; Y281-E283 VanDerWaalsContact C-N 3.32Å; Y281-E283 PolarHBondContact O-N 2.86Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 2.98Å; E283-A286 WeakPolarHBondContact O-CB 3.5Å; E283-A286 PolarHBondContact O-N 3.33Å; E283-D287 PolarHBondContact O-N 3.29Å; E283-K360 IonicContact OE1-NZ 3.11Å; E283-K360 PolarHBondContact OE1-NZ 2.75Å
284I94.6Very high93.8Very high12 Ų1257.5 Ų57.56%0.06231%0.31CS..Hα-helixtrans-58.3-42.2175.9-70.3-60.5000112.3L223 Q280 Y281 A286 H288 M293 V296L223-I284 HydrophobicContact CB-CD1 4.09Å; L223-I284 HydrophobicContact CD1-CD1 4.41Å; L223-I284 HydrophobicContact CD1-CG1 4.01Å; Q280-I284 WeakPolarHBondContact O-CG1 3.38Å; Q280-I284 PolarHBondContact O-N 3.41Å; Y281-I284 PolarHBondContact O-N 2.93Å; I284-A286 VanDerWaalsContact C-N 3.27Å; I284-A286 PolarHBondContact O-N 2.94Å; I284-H288 CarbonylContact O-C 3.42Å; I284-H288 WeakPolarHBondContact O-CA 3.38Å; I284-H288 WeakPolarHBondContact O-CB 3.17Å; I284-H288 PolarHBondContact O-N 3.35Å; I284-M293 HydrophobicContact CG2-CE 4.2Å; I284-M293 HydrophobicContact CG2-SD 4.47Å; I284-V296 HydrophobicContact CD1-CG1 3.95Å; I284-V296 HydrophobicContact CG1-CG1 4.28Å; I284-V296 HydrophobicContact CG2-CB 4.46Å; I284-V296 HydrophobicContact CG2-CG1 3.83Å; I284-V296 HydrophobicContact CG2-CG2 4.29Å
285L92.3Very high93.9Very high72 Ų7259.2 Ų59.238%0.37732%0.32SS..Hα-helixtrans-66.5-29.9176.8-72.3-179.8000113Y281 A282 E283 P289 M293Y281-L285 HydrophobicContact CD1-CD1 4.19Å; Y281-L285 HydrophobicContact CD2-CG 4.5Å; Y281-L285 HydrophobicContact CE1-CD1 3.54Å; Y281-L285 HydrophobicContact CE1-CG 4.26Å; Y281-L285 HydrophobicContact CE2-CD1 4.17Å; Y281-L285 HydrophobicContact CE2-CD2 4.2Å; Y281-L285 HydrophobicContact CE2-CG 4.04Å; Y281-L285 WeakPolarHBondContact O-CG 3.47Å; Y281-L285 PolarHBondContact O-N 2.9Å; A282-L285 PolarHBondContact O-N 3.17Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 2.98Å; L285-P289 WeakPolarHBondContact O-CA 3.44Å; L285-M293 HydrophobicContact CD2-CE 3.83Å
286A94.1Very high94.1Very high74 Ų7453 Ų5361%0.61229%0.294SS*.Hα-helixtrans-77.4-43177.400000111.9A282 E283 I284A282-A286 PolarHBondContact O-N 3.17Å; A282-A286 VanDerWaalsContact O-N 3.15Å; E283-A286 WeakPolarHBondContact O-CB 3.5Å; E283-A286 PolarHBondContact O-N 3.33Å; I284-A286 VanDerWaalsContact C-N 3.27Å; I284-A286 PolarHBondContact O-N 2.94Å
287D93.7Very high94.3Very high114 Ų11452.2 Ų52.261%0.6129%0.29SS*.Hα-helixtrans-78.6-29.3-177.2-67-15.8000112.2E283E283-D287 PolarHBondContact O-N 3.29Å
288H90.4Very high94.4Very high81 Ų8152.2 Ų52.238%0.37529%0.29SS..  trans-136.967.2-175.5-54.2-52.7000112I284 D290 A291I284-H288 CarbonylContact O-C 3.42Å; I284-H288 WeakPolarHBondContact O-CA 3.38Å; I284-H288 WeakPolarHBondContact O-CB 3.17Å; I284-H288 PolarHBondContact O-N 3.35Å; H288-D290 VanDerWaalsContact C-N 3.3Å; H288-D290 PolarHBondContact O-N 2.65Å; H288-A291 HydrophobicContact CB-CB 3.77Å; H288-A291 PolarHBondContact O-N 2.72Å
289P87.4Confident94.5Very high92 Ų9247.9 Ų47.960%0.59728%0.275SS*.THydrogen-bonded Turntrans-63.8-30.8-172.225.1-35.1000114.2L285L285-P289 WeakPolarHBondContact O-CA 3.44Å
290D91.1Very high94.6Very high158 Ų15847.4 Ų47.485%0.84527%0.271SS*.THydrogen-bonded Turntrans-96.2-5.4-177.2-59.9-43.5000113.3H288H288-D290 VanDerWaalsContact C-N 3.3Å; H288-D290 PolarHBondContact O-N 2.65Å
291A91.1Very high94.7Very high27 Ų2746.3 Ų46.322%0.22327%0.267CS..  trans-78.5125.4-176.400000110.7H288 M293 V296H288-A291 HydrophobicContact CB-CB 3.77Å; H288-A291 PolarHBondContact O-N 2.72Å; A291-M293 VanDerWaalsContact O-CE 3.28Å; A291-M293 WeakPolarHBondContact O-CE 3.41Å; A291-V296 HydrophobicContact CB-CG2 4.04Å
292P94.6Very high94.8Very high45 Ų4544.1 Ų44.129%0.29226%0.258SS..  trans-67.1144172.628.9-34.2000110.1S294 Q295P292-S294 PolarHBondContact O-N 3.4Å; P292-S294 VanDerWaalsContact O-N 3.11Å; P292-Q295 HydrophobicContact CG-CB 4.18Å; P292-Q295 HydrophobicContact CG-CG 3.77Å; P292-Q295 PolarHBondContact O-N 3.24Å
293M94.1Very high94.9Very high13 Ų1341.5 Ų41.56%0.06424%0.236CC..Hα-helixtrans-61-27.3-176.5-65.2-59.6110.900112.9F264 N265 L268 Y281 I284 L285 A291 Q295 V296 Y297F264-M293 HydrophobicContact CE1-CB 4.33Å; N265-M293 PolarHBondContact OD1-N 3.26Å; L268-M293 HydrophobicContact CB-CB 4.14Å; L268-M293 HydrophobicContact CB-CG 4.3Å; L268-M293 HydrophobicContact CD1-CB 4.31Å; L268-M293 HydrophobicContact CD2-CB 3.88Å; L268-M293 HydrophobicContact CD2-CG 3.62Å; L268-M293 HydrophobicContact CD2-SD 3.65Å; L268-M293 HydrophobicContact CG-CB 4.31Å; L268-M293 HydrophobicContact CG-CG 4.45Å; Y281-M293 HydrophobicContact CD2-SD 4.16Å; Y281-M293 HydrophobicContact CE2-CG 4.42Å; Y281-M293 HydrophobicContact CE2-SD 3.6Å; Y281-M293 VanDerWaalsContact CE2-SD 3.6Å; I284-M293 HydrophobicContact CG2-CE 4.2Å; I284-M293 HydrophobicContact CG2-SD 4.47Å; L285-M293 HydrophobicContact CD2-CE 3.83Å; A291-M293 VanDerWaalsContact O-CE 3.28Å; A291-M293 WeakPolarHBondContact O-CE 3.41Å; M293-Q295 PolarHBondContact O-N 3.27Å; M293-V296 PolarHBondContact O-N 3.46Å; M293-Y297 HydrophobicContact CB-CD2 4.25Å; M293-Y297 PolarHBondContact O-N 2.97Å; M293-Y297 HydrophobicContact SD-CD2 4.1Å; M293-Y297 HydrophobicContact SD-CE2 3.69Å
294S97Very high95.1Very high1 Ų138.8 Ų38.81%0.00722%0.223CC..Hα-helixtrans-65-20.2174.968.50000114.3V229 D230 N265 P292V229-S294 WeakPolarHBondContact CB-O 3.29Å; V229-S294 PolarHBondContact N-O 3.46Å; V229-S294 VanDerWaalsContact N-O 3.12Å; D230-S294 PolarHBondContact N-O 3.25Å; D230-S294 WeakPolarHBondContact OD1-CB 3.46Å; D230-S294 PolarHBondContact OD1-OG 3.29Å; N265-S294 WeakPolarHBondContact OD1-CB 3.48Å; N265-S294 PolarHBondContact OD1-N 3.39Å; N265-S294 PolarHBondContact OD1-OG 2.94Å; P292-S294 PolarHBondContact O-N 3.4Å; P292-S294 VanDerWaalsContact O-N 3.11Å
295Q97.2Very high95.1Very high96 Ų9638.2 Ų38.245%0.44922%0.22SC..Hα-helixtrans-89.2-22.8174.3-72.6178.7000113N228 D230 P292 M293N228-Q295 VanDerWaalsContact CB-O 3.24Å; N228-Q295 WeakPolarHBondContact CB-O 3.4Å; N228-Q295 PolarHBondContact ND2-O 3.02Å; N228-Q295 VanDerWaalsContact ND2-O 3.07Å; D230-Q295 HydrophobicContact CB-CG 4.48Å; D230-Q295 WeakPolarHBondContact OD2-CG 3.48Å; P292-Q295 HydrophobicContact CG-CB 4.18Å; P292-Q295 HydrophobicContact CG-CG 3.77Å; P292-Q295 PolarHBondContact O-N 3.24Å; M293-Q295 PolarHBondContact O-N 3.27Å
296V97.6Very high95.3Very high6 Ų635 Ų354%0.03620%0.202CC..Hα-helixtrans-93.9-42.2-176.5-176.20000111.9L223 A225 I284 A291 M293L223-V296 HydrophobicContact CB-CG1 4.37Å; L223-V296 HydrophobicContact CD2-CG1 4.32Å; L223-V296 WeakPolarHBondContact CD2-O 3.15Å; A225-V296 VanDerWaalsContact CB-O 3.26Å; A225-V296 WeakPolarHBondContact CB-O 3.39Å; A225-V296 PolarHBondContact N-O 3.29Å; I284-V296 HydrophobicContact CD1-CG1 3.95Å; I284-V296 HydrophobicContact CG1-CG1 4.28Å; I284-V296 HydrophobicContact CG2-CB 4.46Å; I284-V296 HydrophobicContact CG2-CG1 3.83Å; I284-V296 HydrophobicContact CG2-CG2 4.29Å; A291-V296 HydrophobicContact CB-CG2 4.04Å; M293-V296 PolarHBondContact O-N 3.46Å
297Y98.3Very high95.1Very high0 Ų034.8 Ų34.80%019%0.194CC..  trans-94.3164.2-174.3-73.5-94.7000112.9L223 N228 V229 L268 L273 Y281 M293 H301L223-Y297 HydrophobicContact CD1-CD1 4.07Å; L223-Y297 HydrophobicContact CD1-CE1 3.47Å; L223-Y297 VanDerWaalsContact CD1-CE1 3.47Å; L223-Y297 HydrophobicContact CD1-CE2 4.2Å; L223-Y297 HydrophobicContact CD2-CD1 3.75Å; L223-Y297 HydrophobicContact CD2-CE1 4.04Å; L223-Y297 HydrophobicContact CD2-CG 4.1Å; L223-Y297 HydrophobicContact CG-CE1 4.39Å; N228-Y297 CarbonylContact C-O 3.48Å; N228-Y297 VanDerWaalsContact CA-O 3.23Å; N228-Y297 WeakPolarHBondContact CA-O 3.4Å; V229-Y297 WeakPolarHBondContact CG2-O 3.5Å; V229-Y297 PolarHBondContact N-O 3.49Å; L268-Y297 HydrophobicContact CD1-CD1 3.85Å; L268-Y297 HydrophobicContact CD1-CD2 3.58Å; L268-Y297 HydrophobicContact CD1-CE1 4.23Å; L268-Y297 HydrophobicContact CD1-CE2 4.01Å; L268-Y297 HydrophobicContact CD1-CG 3.5Å; L268-Y297 VanDerWaalsContact CD1-CG 3.5Å; L268-Y297 HydrophobicContact CD2-CD2 3.76Å; L268-Y297 HydrophobicContact CD2-CE1 4.4Å; L268-Y297 HydrophobicContact CD2-CE2 3.37Å; L268-Y297 HydrophobicContact CD2-CG 4.43Å; L268-Y297 HydrophobicContact CG-CD2 4.33Å; L268-Y297 HydrophobicContact CG-CE2 4.32Å; L273-Y297 HydrophobicContact CD2-CE1 3.93Å; Y281-Y297 HydrophobicContact CD2-CE2 4.46Å; M293-Y297 HydrophobicContact CB-CD2 4.25Å; M293-Y297 PolarHBondContact O-N 2.97Å; M293-Y297 HydrophobicContact SD-CD2 4.1Å; M293-Y297 HydrophobicContact SD-CE2 3.69Å; Y297-H301 HydrophobicContact CD1-CB 4.27Å; Y297-H301 AromaticContact CD1-CD2 3.71Å; Y297-H301 AromaticContact CD1-CE1 3.67Å; Y297-H301 AromaticContact CD1-CG 3.55Å; Y297-H301 AromaticContact CD1-ND1 3.55Å; Y297-H301 AromaticContact CD1-NE2 3.77Å; Y297-H301 AromaticContact CE1-CD2 3.96Å; Y297-H301 AromaticContact CE1-NE2 3.85Å
298G97.6Very high94.9Very high0 Ų036.1 Ų36.10%019%0.19CC..BIsolated β-bridgetrans-118.1-162.4-173.100000115.3P300 L302G298-P300 VanDerWaalsContact C-CD 3.48Å; G298-L302 PolarHBondContact O-N 3.03Å
299A97.7Very high94.6Very high4 Ų432.5 Ų32.53%0.03317%0.173CC..Hα-helixtrans-58.2-39.2-175.300000115.4I232 H301 L302 L303 L344 F345I232-A299 HydrophobicContact CD1-CB 3.68Å; A299-H301 PolarHBondContact O-N 3.15Å; A299-L302 WeakPolarHBondContact O-CB 3.49Å; A299-L302 PolarHBondContact O-N 3.34Å; A299-L303 PolarHBondContact O-N 2.87Å; A299-L344 HydrophobicContact CB-CB 3.92Å; A299-L344 HydrophobicContact CB-CD2 4.45Å; A299-L344 WeakPolarHBondContact CB-O 3.44Å; A299-F345 HydrophobicContact CB-CD1 4.23Å; A299-F345 HydrophobicContact CB-CE1 3.82Å; A299-F345 HydrophobicContact CB-CZ 4.23Å
300P97.4Very high94.4Very high6 Ų628.3 Ų28.34%0.03915%0.147CC..Hα-helixtrans-60.1-49-178.9-26.236.5000112.5F221 G298 L302 L303 R304 F345 Y350F221-P300 HydrophobicContact CD2-CG 3.91Å; F221-P300 HydrophobicContact CE2-CG 3.63Å; F221-P300 HydrophobicContact CZ-CG 4.38Å; G298-P300 VanDerWaalsContact C-CD 3.48Å; P300-L302 VanDerWaalsContact C-N 3.32Å; P300-L302 PolarHBondContact O-N 3.03Å; P300-L303 WeakPolarHBondContact O-CB 3.15Å; P300-L303 PolarHBondContact O-N 3.26Å; P300-R304 WeakPolarHBondContact O-CG 3.29Å; P300-R304 PolarHBondContact O-N 3.25Å; P300-R304 VanDerWaalsContact O-N 3.13Å; P300-F345 HydrophobicContact CG-CD1 4.36Å; P300-Y350 WeakPolarHBondContact CB-OH 3.21Å; P300-Y350 VanDerWaalsContact CG-OH 3.26Å; P300-Y350 WeakPolarHBondContact CG-OH 3.43Å
301H98.4Very high94Very high0 Ų022.5 Ų22.50%012%0.121CC..Hα-helixtrans-64.9-38177.5-55.782.8000111.7F221 F264 L268 E277 Y297 A299 L303 R304 L305F221-H301 AromaticContact CG-CE1 3.91Å; F264-H301 HydrophobicContact CE2-CB 3.9Å; F264-H301 HydrophobicContact CZ-CB 3.87Å; L268-H301 HydrophobicContact CD1-CB 4.21Å; E277-H301 IonicContact OE1-CD2 3.42Å; E277-H301 IonicContact OE1-CE1 2.76Å; E277-H301 IonicContact OE1-NE2 2.89Å; E277-H301 PolarHBondContact OE1-NE2 3.12Å; Y297-H301 HydrophobicContact CD1-CB 4.27Å; Y297-H301 AromaticContact CD1-CD2 3.71Å; Y297-H301 AromaticContact CD1-CE1 3.67Å; Y297-H301 AromaticContact CD1-CG 3.55Å; Y297-H301 AromaticContact CD1-ND1 3.55Å; Y297-H301 AromaticContact CD1-NE2 3.77Å; Y297-H301 AromaticContact CE1-CD2 3.96Å; Y297-H301 AromaticContact CE1-NE2 3.85Å; A299-H301 PolarHBondContact O-N 3.15Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 3.46Å; H301-R304 PolarHBondContact CD2-NH1 2.98Å; H301-R304 WeakPolarHBondContact O-CB 3.12Å; H301-R304 PolarHBondContact O-N 2.87Å; H301-L305 PolarHBondContact O-N 3.43Å
302L98.1Very high93.4Very high0 Ų023.9 Ų23.90%012%0.123CC..Hα-helixtrans-61.6-39.6174.5-178.460.2000111.7V229 I232 I260 F264 G298 A299 P300 R304 L305 F306 F333V229-L302 HydrophobicContact CG1-CD1 3.85Å; V229-L302 HydrophobicContact CG1-CD2 4Å; V229-L302 HydrophobicContact CG1-CG 4.38Å; V229-L302 HydrophobicContact CG2-CB 3.87Å; V229-L302 HydrophobicContact CG2-CD1 4.47Å; V229-L302 HydrophobicContact CG2-CD2 4.33Å; V229-L302 HydrophobicContact CG2-CG 4.45Å; I232-L302 HydrophobicContact CG2-CD2 4.1Å; I260-L302 HydrophobicContact CG2-CD1 3.81Å; F264-L302 HydrophobicContact CD2-CD1 4.08Å; F264-L302 HydrophobicContact CE2-CB 4.33Å; G298-L302 PolarHBondContact O-N 3.03Å; A299-L302 WeakPolarHBondContact O-CB 3.49Å; A299-L302 PolarHBondContact O-N 3.34Å; P300-L302 VanDerWaalsContact C-N 3.32Å; P300-L302 PolarHBondContact O-N 3.03Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 3.13Å; L302-L305 HydrophobicContact CD1-CD2 4.32Å; L302-L305 VanDerWaalsContact O-CB 3.24Å; L302-L305 WeakPolarHBondContact O-CB 3.41Å; L302-L305 PolarHBondContact O-N 3.44Å; L302-F306 HydrophobicContact CD1-CE2 4.2Å; L302-F306 HydrophobicContact CG-CE2 4.23Å; L302-F306 VanDerWaalsContact O-CD2 3.24Å; L302-F306 WeakPolarHBondContact O-CD2 3.46Å; L302-F333 HydrophobicContact CD2-CE1 4.06Å; L302-F333 HydrophobicContact CD2-CZ 3.89Å; L302-F333 HydrophobicContact CG-CE1 4.47Å
303L97.4Very high92.6Very high3 Ų322.1 Ų22.12%0.01611%0.112CC..Hα-helixtrans-64.8-38.1176.3-176.958.7000111.6L203 L207 A299 P300 H301 L305 F306 L334 L337 F345L203-L303 HydrophobicContact CB-CD1 4.32Å; L203-L303 HydrophobicContact CB-CD2 4.13Å; L203-L303 HydrophobicContact CD1-CD1 3.79Å; L203-L303 HydrophobicContact CD2-CD2 4.46Å; L207-L303 HydrophobicContact CD2-CD2 4.03Å; L207-L303 HydrophobicContact CD2-CG 3.92Å; L207-L303 HydrophobicContact CG-CD2 3.9Å; L207-L303 HydrophobicContact CG-CG 4.16Å; A299-L303 PolarHBondContact O-N 2.87Å; P300-L303 WeakPolarHBondContact O-CB 3.15Å; P300-L303 PolarHBondContact O-N 3.26Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 3.46Å; L303-L305 PolarHBondContact O-N 3.38Å; L303-F306 PolarHBondContact O-N 3Å; L303-F306 VanDerWaalsContact O-N 3.15Å; L303-L334 HydrophobicContact CD1-CD2 3.93Å; L303-L337 HydrophobicContact CD1-CD1 4.41Å; L303-F345 HydrophobicContact CB-CE1 4.03Å; L303-F345 HydrophobicContact CB-CZ 4.18Å; L303-F345 HydrophobicContact CD2-CE1 3.83Å; L303-F345 HydrophobicContact CD2-CZ 3.81Å; L303-F345 HydrophobicContact CG-CZ 4.48Å
304R97Very high91.7Very high11 Ų1122 Ų224%0.04211%0.112CC..Hα-helixtrans-60.1-32.1174.9-62.3176.8-165.4169.46.2112.4L207 D210 L272 E277 P300 H301 L302 F306 V307 R308L207-R304 HydrophobicContact CD2-CG 4.39Å; D210-R304 VanDerWaalsContact CG-NH2 3.31Å; D210-R304 IonicContact OD1-CZ 3.71Å; D210-R304 IonicContact OD1-NE 3.12Å; D210-R304 IonicContact OD1-NH2 3.02Å; D210-R304 PolarHBondContact OD1-NH2 3.29Å; D210-R304 IonicContact OD2-CZ 3.15Å; D210-R304 VanDerWaalsContact OD2-CZ 3.27Å; D210-R304 IonicContact OD2-NE 2.72Å; D210-R304 PolarHBondContact OD2-NE 3.11Å; D210-R304 IonicContact OD2-NH2 3.03Å; D210-R304 PolarHBondContact OD2-NH2 3.22Å; D210-R304 VanDerWaalsContact OD2-NH2 3.12Å; L272-R304 WeakPolarHBondContact O-CD 3.5Å; L272-R304 PolarHBondContact O-NH1 3.31Å; E277-R304 VanDerWaalsContact CD-NH1 3.34Å; E277-R304 IonicContact OE1-CZ 2.72Å; E277-R304 IonicContact OE1-NH1 3.4Å; E277-R304 PolarHBondContact OE1-NH1 2.72Å; E277-R304 VanDerWaalsContact OE1-NH1 3.11Å; E277-R304 IonicContact OE1-NH2 3.08Å; E277-R304 PolarHBondContact OE1-NH2 3.42Å; E277-R304 VanDerWaalsContact OE1-NH2 3.15Å; E277-R304 IonicContact OE2-CZ 3.41Å; E277-R304 IonicContact OE2-NH1 2.74Å; E277-R304 PolarHBondContact OE2-NH1 3.13Å; E277-R304 IonicContact OE2-NH2 3.88Å; P300-R304 WeakPolarHBondContact O-CG 3.29Å; P300-R304 PolarHBondContact O-N 3.25Å; P300-R304 VanDerWaalsContact O-N 3.13Å; H301-R304 PolarHBondContact CD2-NH1 2.98Å; H301-R304 WeakPolarHBondContact O-CB 3.12Å; H301-R304 PolarHBondContact O-N 2.87Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 3.13Å; R304-F306 VanDerWaalsContact C-N 3.29Å; R304-F306 PolarHBondContact O-N 2.97Å; R304-V307 WeakPolarHBondContact O-CB 3.49Å; R304-V307 PolarHBondContact O-N 3.3Å; R304-V307 VanDerWaalsContact O-N 3.13Å; R304-R308 PolarHBondContact O-N 2.94Å
305L95.9Very high90.6Very high0 Ų026.6 Ų26.60%013%0.13CC..Hα-helixtrans-54.8-45.8174.5176.163.4000111.3I260 F264 M267 L272 H301 L302 L303 V307 R308 I309I260-L305 HydrophobicContact CG2-CD2 4.04Å; F264-L305 HydrophobicContact CB-CD2 4.02Å; F264-L305 HydrophobicContact CD2-CB 4.39Å; F264-L305 HydrophobicContact CD2-CD2 4.32Å; M267-L305 HydrophobicContact CB-CD1 4.24Å; M267-L305 HydrophobicContact CE-CD1 4.28Å; M267-L305 HydrophobicContact CG-CD1 4.39Å; M267-L305 HydrophobicContact SD-CD1 3.44Å; M267-L305 WeakPolarHBondContact SD-CD1 3.46Å; L272-L305 HydrophobicContact CD1-CB 3.92Å; L272-L305 HydrophobicContact CD1-CD1 4.19Å; L272-L305 HydrophobicContact CD2-CB 4.41Å; L272-L305 HydrophobicContact CD2-CD1 4.47Å; H301-L305 PolarHBondContact O-N 3.43Å; L302-L305 HydrophobicContact CD1-CD2 4.32Å; L302-L305 VanDerWaalsContact O-CB 3.24Å; L302-L305 WeakPolarHBondContact O-CB 3.41Å; L302-L305 PolarHBondContact O-N 3.44Å; L303-L305 PolarHBondContact O-N 3.38Å; L305-V307 PolarHBondContact O-N 2.97Å; L305-R308 CarbonylContact O-C 3.54Å; L305-R308 PolarHBondContact O-N 3.11Å; L305-I309 HydrophobicContact CD1-CB 4.24Å; L305-I309 HydrophobicContact CD1-CD1 4.4Å; L305-I309 HydrophobicContact CD1-CG1 4.49Å; L305-I309 HydrophobicContact CD2-CD1 4.44Å; L305-I309 HydrophobicContact CG-CB 4.37Å; L305-I309 HydrophobicContact CG-CD1 4.31Å; L305-I309 WeakPolarHBondContact O-CB 3.37Å; L305-I309 PolarHBondContact O-N 3.3Å
306F94.8Very high89.6Confident3 Ų323.9 Ų23.91%0.01312%0.121CC..Hα-helixtrans-67.6-18.3-177.2-66.8-85.2000113.9V197 I199 I260 L302 L303 R304 I309 L330 F333 L334 L337V197-F306 HydrophobicContact CG1-CD1 4.47Å; I199-F306 HydrophobicContact CD1-CB 3.69Å; I260-F306 HydrophobicContact CD1-CE1 4.47Å; I260-F306 HydrophobicContact CD1-CZ 4.07Å; I260-F306 HydrophobicContact CG1-CZ 4.33Å; I260-F306 HydrophobicContact CG2-CZ 4.19Å; L302-F306 HydrophobicContact CD1-CE2 4.2Å; L302-F306 HydrophobicContact CG-CE2 4.23Å; L302-F306 VanDerWaalsContact O-CD2 3.24Å; L302-F306 WeakPolarHBondContact O-CD2 3.46Å; L303-F306 PolarHBondContact O-N 3Å; L303-F306 VanDerWaalsContact O-N 3.15Å; R304-F306 VanDerWaalsContact C-N 3.29Å; R304-F306 PolarHBondContact O-N 2.97Å; F306-I309 HydrophobicContact CD1-CG2 4.48Å; F306-L330 HydrophobicContact CE1-CB 4.36Å; F306-L330 HydrophobicContact CE1-CD2 3.93Å; F306-F333 HydrophobicContact CE1-CD1 4.04Å; F306-F333 AromaticContact CE2-CD1 3.74Å; F306-F333 HydrophobicContact CE2-CD1 3.74Å; F306-F333 AromaticContact CE2-CE1 3.61Å; F306-F333 HydrophobicContact CE2-CE1 3.61Å; F306-F333 AromaticContact CZ-CD1 3.26Å; F306-F333 HydrophobicContact CZ-CD1 3.26Å; F306-F333 AromaticContact CZ-CE1 3.52Å; F306-F333 HydrophobicContact CZ-CE1 3.52Å; F306-F333 HydrophobicContact CZ-CG 4.39Å; F306-L334 HydrophobicContact CB-CD1 4.27Å; F306-L334 HydrophobicContact CB-CD2 3.85Å; F306-L334 HydrophobicContact CB-CG 4.46Å; F306-L334 HydrophobicContact CD1-CD1 4.03Å; F306-L334 HydrophobicContact CD1-CD2 4.1Å; F306-L334 HydrophobicContact CD1-CG 3.97Å; F306-L334 HydrophobicContact CD2-CD2 3.92Å; F306-L334 HydrophobicContact CE1-CG 4.41Å; F306-L334 HydrophobicContact CG-CD1 4.27Å; F306-L334 HydrophobicContact CG-CD2 3.68Å; F306-L334 HydrophobicContact CG-CG 4.08Å; F306-L337 HydrophobicContact CE2-CD1 4.47Å
307V91.5Very high88.5Confident71 Ų7129.1 Ų29.143%0.4316%0.155SC..Hα-helixtrans-75.9-27.5171.9-176.70000111.3I199 L207 R304 L305I199-V307 HydrophobicContact CD1-CG2 4.39Å; I199-V307 HydrophobicContact CG1-CG2 4.4Å; L207-V307 HydrophobicContact CD1-CG2 3.7Å; L207-V307 HydrophobicContact CD2-CG2 4.12Å; R304-V307 WeakPolarHBondContact O-CB 3.49Å; R304-V307 PolarHBondContact O-N 3.3Å; R304-V307 VanDerWaalsContact O-N 3.13Å; L305-V307 PolarHBondContact O-N 2.97Å
308R87.8Confident87.4Confident142 Ų14232.2 Ų32.254%0.53617%0.171SC..Hα-helixtrans-105.6-28.1-175.4-64.4-60.7-173.3-173.3-0.1114.4M267 L272 R304 L305 G310 A311M267-R308 HydrophobicContact CE-CB 3.81Å; L272-R308 HydrophobicContact CD2-CB 4.25Å; L272-R308 HydrophobicContact CD2-CG 4.15Å; R304-R308 PolarHBondContact O-N 2.94Å; L305-R308 CarbonylContact O-C 3.54Å; L305-R308 PolarHBondContact O-N 3.11Å; R308-G310 PolarHBondContact O-N 2.94Å; R308-G310 VanDerWaalsContact O-N 3.13Å; R308-A311 PolarHBondContact O-N 2.82Å
309I85.5Confident86.6Confident4 Ų436.5 Ų36.52%0.02119%0.194CC..Hα-helixtrans-62.2-25.9-172.8-159.5171.4000112.9V197 Y263 L305 F306 A311 M312 L313V197-I309 HydrophobicContact CG2-CG2 3.96Å; Y263-I309 HydrophobicContact CD1-CD1 4.36Å; Y263-I309 HydrophobicContact CD1-CG1 4.25Å; Y263-I309 HydrophobicContact CD2-CD1 4.29Å; Y263-I309 HydrophobicContact CG-CD1 4.03Å; Y263-I309 HydrophobicContact CG-CG1 4.42Å; L305-I309 HydrophobicContact CD1-CB 4.24Å; L305-I309 HydrophobicContact CD1-CD1 4.4Å; L305-I309 HydrophobicContact CD1-CG1 4.49Å; L305-I309 HydrophobicContact CD2-CD1 4.44Å; L305-I309 HydrophobicContact CG-CB 4.37Å; L305-I309 HydrophobicContact CG-CD1 4.31Å; L305-I309 WeakPolarHBondContact O-CB 3.37Å; L305-I309 PolarHBondContact O-N 3.3Å; F306-I309 HydrophobicContact CD1-CG2 4.48Å; I309-A311 VanDerWaalsContact C-N 3.28Å; I309-A311 PolarHBondContact O-N 3.19Å; I309-M312 WeakPolarHBondContact O-CA 3.46Å; I309-M312 WeakPolarHBondContact O-CB 3.37Å; I309-M312 PolarHBondContact O-N 3.06Å; I309-L313 HydrophobicContact CG1-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CG 3.49Å; I309-L313 PolarHBondContact O-N 2.89Å
310G83.4Confident85.9Confident4 Ų444.5 Ų44.54%0.04123%0.23CC..Hα-helixtrans-57.4-38177.900000114.1V195 R308V195-G310 PolarHBondContact N-O 3.29Å; V195-G310 CarbonylContact O-C 3.41Å; V195-G310 WeakPolarHBondContact O-CA 3.45Å; R308-G310 PolarHBondContact O-N 2.94Å; R308-G310 VanDerWaalsContact O-N 3.13Å
311A81.7Confident85.3Confident36 Ų3652.4 Ų52.430%0.29826%0.264SS..Hα-helixtrans-68.2-36.9173.600000111.6R308 I309 A314 Y315R308-A311 PolarHBondContact O-N 2.82Å; I309-A311 VanDerWaalsContact C-N 3.28Å; I309-A311 PolarHBondContact O-N 3.19Å; A311-A314 WeakPolarHBondContact O-CB 3.43Å; A311-A314 PolarHBondContact O-N 3.3Å; A311-Y315 WeakPolarHBondContact O-CD2 3.28Å; A311-Y315 WeakPolarHBondContact O-CE2 3.36Å
312M77.8Confident84.7Confident56 Ų5654.8 Ų54.828%0.27628%0.281SS..Hα-helixtrans-70.8-35.6180-62.3-57-65.800112.9Y263 M267 I309 A314 Y315Y263-M312 HydrophobicContact CD1-CB 4.47Å; Y263-M312 HydrophobicContact CE1-CB 3.81Å; Y263-M312 HydrophobicContact CE1-CG 4.46Å; M267-M312 HydrophobicContact CE-CG 3.57Å; M267-M312 HydrophobicContact CE-SD 4.42Å; M267-M312 HydrophobicContact SD-CG 3.76Å; I309-M312 WeakPolarHBondContact O-CA 3.46Å; I309-M312 WeakPolarHBondContact O-CB 3.37Å; I309-M312 PolarHBondContact O-N 3.06Å; M312-A314 PolarHBondContact O-N 3.12Å; M312-Y315 PolarHBondContact O-N 3.25Å; M312-Y315 VanDerWaalsContact O-N 3.07Å
313L79.3Confident84Confident8 Ų856.8 Ų56.84%0.04229%0.291CS..Hα-helixtrans-64.6-26.4178.4-68.7178.6000112.8V195 V197 I309 Y315 T316 L326 L327 L330V195-L313 HydrophobicContact CB-CB 4.07Å; V195-L313 HydrophobicContact CG1-CB 4.46Å; V195-L313 HydrophobicContact CG1-CD1 4.31Å; V195-L313 HydrophobicContact CG2-CB 4.08Å; V197-L313 HydrophobicContact CG2-CD1 4.38Å; I309-L313 HydrophobicContact CG1-CG 4.37Å; I309-L313 WeakPolarHBondContact O-CG 3.49Å; I309-L313 PolarHBondContact O-N 2.89Å; L313-Y315 PolarHBondContact O-N 2.97Å; L313-T316 PolarHBondContact O-N 3.37Å; L313-L326 HydrophobicContact CD1-CD2 4.43Å; L313-L326 HydrophobicContact CD2-CD2 3.71Å; L313-L327 HydrophobicContact CD1-CD2 4.49Å; L313-L330 HydrophobicContact CD1-CD1 3.83Å
314A75.6Confident83.5Confident10 Ų1058.9 Ų58.98%0.08331%0.309CS..Hα-helixtrans-61.1-32.7174.100000111.7R192 A311 M312R192-A314 HydrophobicContact CB-CB 4.06Å; R192-A314 WeakPolarHBondContact CD-O 3.03Å; R192-A314 PolarHBondContact NH1-O 2.96Å; A311-A314 WeakPolarHBondContact O-CB 3.43Å; A311-A314 PolarHBondContact O-N 3.3Å; M312-A314 PolarHBondContact O-N 3.12Å
315Y73.1Confident83Confident98 Ų9862.9 Ų62.938%0.38433%0.331SS..Hα-helixtrans-84.8-10.1-179.2-54.9-70.9000113.7F189 A311 M312 L313F189-Y315 HydrophobicContact CD1-CD1 4.12Å; F189-Y315 AromaticContact CE1-CD1 3.54Å; F189-Y315 HydrophobicContact CE1-CD1 3.54Å; F189-Y315 HydrophobicContact CE1-CE1 4.26Å; F189-Y315 HydrophobicContact CE1-CG 4.44Å; F189-Y315 AromaticContact CZ-CD1 3.94Å; F189-Y315 HydrophobicContact CZ-CD1 3.94Å; A311-Y315 WeakPolarHBondContact O-CD2 3.28Å; A311-Y315 WeakPolarHBondContact O-CE2 3.36Å; M312-Y315 PolarHBondContact O-N 3.25Å; M312-Y315 VanDerWaalsContact O-N 3.07Å; L313-Y315 PolarHBondContact O-N 2.97Å
316T75.7Confident82.6Confident40 Ų4064.7 Ų64.725%0.24534%0.34CS..SBendtrans-83.8128.3179.1-51.30000109.7Y263 L313 L318Y263-T316 PolarHBondContact OH-OG1 3.41Å; Y263-T316 VanDerWaalsContact OH-OG1 3.1Å; L313-T316 PolarHBondContact O-N 3.37Å; T316-L318 VanDerWaalsContact C-N 3.29Å; T316-L318 HydrophobicContact CG2-CD1 4.13Å; T316-L318 HydrophobicContact CG2-CD2 4.23Å; T316-L318 HydrophobicContact CG2-CG 3.81Å; T316-L318 PolarHBondContact O-N 3.11Å
317P73.8Confident82.4Confident115 Ų11566.1 Ų66.175%0.74735%0.348SS*.  trans-73.882.2178.731.2-34.8000110.6
318L75.5Confident82.4Confident66 Ų6667.9 Ų67.935%0.34636%0.355SS..  trans-111.3137.5174.8-62.9173.8000109.8T316 L323 L326T316-L318 VanDerWaalsContact C-N 3.29Å; T316-L318 HydrophobicContact CG2-CD1 4.13Å; T316-L318 HydrophobicContact CG2-CD2 4.23Å; T316-L318 HydrophobicContact CG2-CG 3.81Å; T316-L318 PolarHBondContact O-N 3.11Å; L318-L323 HydrophobicContact CB-CB 4.27Å; L318-L323 HydrophobicContact CD1-CD1 4.16Å; L318-L326 HydrophobicContact CD1-CD2 3.66Å
319D80.6Confident82.6Confident89 Ų8962.7 Ų62.748%0.47634%0.336SS..  trans-72.5160.1167.671.2-58000110.6K321 S322 L323D319-K321 PolarHBondContact O-N 3.22Å; D319-K321 VanDerWaalsContact O-N 3.14Å; D319-K321 WeakPolarHBondContact OD2-CB 3.45Å; D319-S322 PolarHBondContact O-N 2.98Å; D319-S322 VanDerWaalsContact O-N 3.15Å; D319-S322 WeakPolarHBondContact OD1-CB 3.38Å; D319-S322 PolarHBondContact OD1-OG 2.92Å; D319-L323 WeakPolarHBondContact O-CB 3.26Å; D319-L323 PolarHBondContact O-N 3.38Å
320E83.1Confident83Confident172 Ų17262.7 Ų62.780%0.80434%0.336SS*.Hα-helixtrans-56.6-35.4-173.9-171177.5-173.300113A324E320-A324 WeakPolarHBondContact O-CB 3.5Å; E320-A324 PolarHBondContact O-N 3.48Å
321K84.8Confident83.5Confident173 Ų17364.6 Ų64.675%0.75234%0.343SS*.Hα-helixtrans-71.1-46.1179.4-62.9178.1-179.5174.30111.4D319 L323 A324 L325D319-K321 PolarHBondContact O-N 3.22Å; D319-K321 VanDerWaalsContact O-N 3.14Å; D319-K321 WeakPolarHBondContact OD2-CB 3.45Å; K321-L323 VanDerWaalsContact C-N 3.34Å; K321-A324 PolarHBondContact O-N 3.14Å; K321-L325 WeakPolarHBondContact O-CB 3.39Å; K321-L325 PolarHBondContact O-N 2.9Å
322S85.6Confident84.2Confident50 Ų5065.2 Ų65.235%0.3534%0.342SS..Hα-helixtrans-66.5-37.6177.2-58.20000111.5D319 L325 L326D319-S322 PolarHBondContact O-N 2.98Å; D319-S322 VanDerWaalsContact O-N 3.15Å; D319-S322 WeakPolarHBondContact OD1-CB 3.38Å; D319-S322 PolarHBondContact OD1-OG 2.92Å; S322-L325 PolarHBondContact O-N 3.15Å; S322-L326 WeakPolarHBondContact O-CB 3.46Å; S322-L326 PolarHBondContact O-N 3.37Å
323L84.6Confident85.1Confident41 Ų4162.6 Ų62.622%0.21533%0.329CS..Hα-helixtrans-63.3-45.4174.7-177.762.2000111.7V195 L318 D319 K321 L325 L326 L327V195-L323 HydrophobicContact CG1-CD1 4.11Å; V195-L323 HydrophobicContact CG2-CD1 4.25Å; V195-L323 HydrophobicContact CG2-CD2 4.11Å; L318-L323 HydrophobicContact CB-CB 4.27Å; L318-L323 HydrophobicContact CD1-CD1 4.16Å; D319-L323 WeakPolarHBondContact O-CB 3.26Å; D319-L323 PolarHBondContact O-N 3.38Å; K321-L323 VanDerWaalsContact C-N 3.34Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 2.91Å; L323-L326 PolarHBondContact O-N 3.14Å; L323-L327 HydrophobicContact CG-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CB 3.14Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 3.44Å
324A87.1Confident85.9Confident48 Ų4862.2 Ų62.240%0.39733%0.327SS..Hα-helixtrans-62.3-40.9175.800000111.8E320 K321 L327 N328E320-A324 WeakPolarHBondContact O-CB 3.5Å; E320-A324 PolarHBondContact O-N 3.48Å; K321-A324 PolarHBondContact O-N 3.14Å; A324-L327 PolarHBondContact O-N 2.82Å; A324-N328 VanDerWaalsContact O-CG 3.25Å; A324-N328 PolarHBondContact O-N 3.46Å; A324-N328 PolarHBondContact O-ND2 3.39Å
325L86.5Confident86.9Confident94 Ų9467.6 Ų67.649%0.49235%0.348SS..Hα-helixtrans-64-47176.2-17662000111.5K321 S322 L323 L327 N328 Y329K321-L325 WeakPolarHBondContact O-CB 3.39Å; K321-L325 PolarHBondContact O-N 2.9Å; S322-L325 PolarHBondContact O-N 3.15Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 2.91Å; L325-L327 PolarHBondContact O-N 3.39Å; L325-N328 WeakPolarHBondContact O-CB 3.23Å; L325-N328 PolarHBondContact O-N 2.97Å; L325-Y329 HydrophobicContact CD1-CD2 4.18Å; L325-Y329 HydrophobicContact CD1-CE2 3.67Å; L325-Y329 HydrophobicContact CD2-CE2 4.41Å; L325-Y329 HydrophobicContact CG-CD2 4.1Å; L325-Y329 HydrophobicContact CG-CE2 3.81Å; L325-Y329 VanDerWaalsContact O-CD2 3.24Å; L325-Y329 WeakPolarHBondContact O-CD2 3.48Å; L325-Y329 PolarHBondContact O-N 2.95Å; L325-Y329 VanDerWaalsContact O-N 3.13Å
326L87.8Confident88Confident39 Ų3964 Ų6420%0.20433%0.334CS..Hα-helixtrans-57.7-48.9175.7177.461.2000110.9V256 L313 L318 S322 L323 N328 Y329 L330V256-L326 HydrophobicContact CG2-CD1 4.1Å; L313-L326 HydrophobicContact CD1-CD2 4.43Å; L313-L326 HydrophobicContact CD2-CD2 3.71Å; L318-L326 HydrophobicContact CD1-CD2 3.66Å; S322-L326 WeakPolarHBondContact O-CB 3.46Å; S322-L326 PolarHBondContact O-N 3.37Å; L323-L326 PolarHBondContact O-N 3.14Å; L326-N328 VanDerWaalsContact C-N 3.27Å; L326-N328 PolarHBondContact O-N 3.19Å; L326-Y329 PolarHBondContact O-N 3.04Å; L326-L330 HydrophobicContact CD1-CD1 4.43Å; L326-L330 HydrophobicContact CD1-CD2 4.33Å; L326-L330 HydrophobicContact CD1-CG 4.19Å; L326-L330 HydrophobicContact CG-CD1 4.14Å; L326-L330 HydrophobicContact CG-CG 4.3Å; L326-L330 WeakPolarHBondContact O-CG 3.23Å; L326-L330 PolarHBondContact O-N 3.48Å
327L90.1Very high89.1Confident32 Ų3262.1 Ų62.117%0.16832%0.323CS..Hα-helixtrans-59.1-37.6178-75.2173.9000112.7V195 V197 L313 L323 A324 L325 Y329 L330 H331V195-L327 HydrophobicContact CG1-CD1 3.83Å; V195-L327 HydrophobicContact CG1-CD2 3.73Å; V195-L327 HydrophobicContact CG1-CG 4.17Å; V197-L327 HydrophobicContact CG2-CD2 4.1Å; L313-L327 HydrophobicContact CD1-CD2 4.49Å; L323-L327 HydrophobicContact CG-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CB 3.14Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 3.44Å; A324-L327 PolarHBondContact O-N 2.82Å; L325-L327 PolarHBondContact O-N 3.39Å; L327-Y329 VanDerWaalsContact C-N 3.35Å; L327-L330 HydrophobicContact CD2-CD1 4.48Å; L327-L330 PolarHBondContact O-N 2.93Å; L327-H331 WeakPolarHBondContact O-CB 3.48Å; L327-H331 PolarHBondContact O-CD2 3.34Å; L327-H331 VanDerWaalsContact O-CG 3.24Å; L327-H331 PolarHBondContact O-N 3.13Å
328N90.8Very high90.2Very high108 Ų10857.3 Ų57.358%0.57829%0.293SS*.Hα-helixtrans-61.9-42.7174.4-72.6-32000111.8A324 L325 L326 D332A324-N328 VanDerWaalsContact O-CG 3.25Å; A324-N328 PolarHBondContact O-N 3.46Å; A324-N328 PolarHBondContact O-ND2 3.39Å; L325-N328 WeakPolarHBondContact O-CB 3.23Å; L325-N328 PolarHBondContact O-N 2.97Å; L326-N328 VanDerWaalsContact C-N 3.27Å; L326-N328 PolarHBondContact O-N 3.19Å; N328-D332 VanDerWaalsContact O-CB 3.28Å; N328-D332 WeakPolarHBondContact O-CB 3.44Å; N328-D332 PolarHBondContact O-N 3.14Å
329Y92.2Very high91.2Very high34 Ų3460.6 Ų60.613%0.13330%0.304CS..Hα-helixtrans-67.2-42.1175.6-78-72.9000112.4A252 V253 V256 L325 L326 L327 H331 D332 F333A252-Y329 HydrophobicContact CB-CE2 4.08Å; A252-Y329 WeakPolarHBondContact CB-OH 3.28Å; V253-Y329 HydrophobicContact CG2-CD1 4.27Å; V253-Y329 HydrophobicContact CG2-CE1 3.71Å; V256-Y329 HydrophobicContact CG2-CD2 4.12Å; V256-Y329 HydrophobicContact CG2-CG 4.01Å; L325-Y329 HydrophobicContact CD1-CD2 4.18Å; L325-Y329 HydrophobicContact CD1-CE2 3.67Å; L325-Y329 HydrophobicContact CD2-CE2 4.41Å; L325-Y329 HydrophobicContact CG-CD2 4.1Å; L325-Y329 HydrophobicContact CG-CE2 3.81Å; L325-Y329 VanDerWaalsContact O-CD2 3.24Å; L325-Y329 WeakPolarHBondContact O-CD2 3.48Å; L325-Y329 PolarHBondContact O-N 2.95Å; L325-Y329 VanDerWaalsContact O-N 3.13Å; L326-Y329 PolarHBondContact O-N 3.04Å; L327-Y329 VanDerWaalsContact C-N 3.35Å; Y329-H331 PolarHBondContact O-N 3.39Å; Y329-D332 PolarHBondContact O-N 3.48Å; Y329-F333 WeakPolarHBondContact O-CB 3.41Å; Y329-F333 PolarHBondContact O-N 3.47Å
330L93.4Very high91.9Very high4 Ų458.9 Ų58.92%0.02130%0.295CS..Hα-helixtrans-62.9-41.4176.5-61.7179.3000111.6V256 I260 F306 L313 L326 L327 F333 L334V256-L330 HydrophobicContact CG1-CD2 4.3Å; I260-L330 HydrophobicContact CD1-CD2 4.02Å; I260-L330 HydrophobicContact CG1-CD2 4.01Å; F306-L330 HydrophobicContact CE1-CB 4.36Å; F306-L330 HydrophobicContact CE1-CD2 3.93Å; L313-L330 HydrophobicContact CD1-CD1 3.83Å; L326-L330 HydrophobicContact CD1-CD1 4.43Å; L326-L330 HydrophobicContact CD1-CD2 4.33Å; L326-L330 HydrophobicContact CD1-CG 4.19Å; L326-L330 HydrophobicContact CG-CD1 4.14Å; L326-L330 HydrophobicContact CG-CG 4.3Å; L326-L330 WeakPolarHBondContact O-CG 3.23Å; L326-L330 PolarHBondContact O-N 3.48Å; L327-L330 HydrophobicContact CD2-CD1 4.48Å; L327-L330 PolarHBondContact O-N 2.93Å; L330-F333 PolarHBondContact O-N 2.82Å; L330-L334 WeakPolarHBondContact O-CB 3.36Å; L330-L334 WeakPolarHBondContact O-CG 3.27Å; L330-L334 PolarHBondContact O-N 3.31Å
331H95.1Very high92.4Very high43 Ų4351.9 Ų51.920%0.19927%0.265CS..Hα-helixtrans-70.7-33.4176.8-66.9174.6000112.1K198 L327 Y329 K335K198-H331 PolarHBondContact N-NE2 2.99Å; L327-H331 WeakPolarHBondContact O-CB 3.48Å; L327-H331 PolarHBondContact O-CD2 3.34Å; L327-H331 VanDerWaalsContact O-CG 3.24Å; L327-H331 PolarHBondContact O-N 3.13Å; Y329-H331 PolarHBondContact O-N 3.39Å; H331-K335 VanDerWaalsContact O-CG 3.28Å; H331-K335 WeakPolarHBondContact O-CG 3.4Å; H331-K335 PolarHBondContact O-N 2.86Å
332D95Very high92.8Very high50 Ų5047.9 Ų47.927%0.26726%0.264SS..Hα-helixtrans-66.1-41.8172.8-17781.8000111.6Y236 K240 N328 Y329 K335 Y336Y236-D332 WeakPolarHBondContact CE2-OD2 3.19Å; Y236-D332 PolarHBondContact OH-OD2 2.97Å; K240-D332 WeakPolarHBondContact CD-OD2 3.33Å; K240-D332 WeakPolarHBondContact CE-OD2 3.41Å; K240-D332 VanDerWaalsContact NZ-CG 3.31Å; K240-D332 IonicContact NZ-OD1 2.75Å; K240-D332 PolarHBondContact NZ-OD1 3.07Å; K240-D332 IonicContact NZ-OD2 2.65Å; K240-D332 PolarHBondContact NZ-OD2 3.26Å; N328-D332 VanDerWaalsContact O-CB 3.28Å; N328-D332 WeakPolarHBondContact O-CB 3.44Å; N328-D332 PolarHBondContact O-N 3.14Å; Y329-D332 PolarHBondContact O-N 3.48Å; D332-K335 WeakPolarHBondContact O-CB 3.26Å; D332-K335 PolarHBondContact O-N 2.76Å; D332-Y336 PolarHBondContact O-N 2.8Å
333F96.7Very high93.2Very high0 Ų050.9 Ų50.90%028%0.281CS..Hα-helixtrans-61.9-46.3172.4-176.3-102.5000112.1I232 L233 Y236 I260 L302 F306 Y329 L330 K335 Y336 L337I232-F333 HydrophobicContact CG2-CZ 4.22Å; L233-F333 HydrophobicContact CD2-CE2 3.88Å; L233-F333 HydrophobicContact CD2-CZ 3.73Å; Y236-F333 AromaticContact CD1-CD2 3.53Å; Y236-F333 HydrophobicContact CD1-CD2 3.53Å; Y236-F333 HydrophobicContact CD1-CE2 4.03Å; Y236-F333 AromaticContact CD2-CD2 3.66Å; Y236-F333 HydrophobicContact CD2-CD2 3.66Å; Y236-F333 HydrophobicContact CD2-CE2 4.27Å; Y236-F333 HydrophobicContact CE1-CB 4.4Å; Y236-F333 AromaticContact CE1-CD2 3.86Å; Y236-F333 HydrophobicContact CE1-CD2 3.86Å; Y236-F333 HydrophobicContact CE2-CB 4.28Å; Y236-F333 AromaticContact CE2-CD2 3.99Å; Y236-F333 HydrophobicContact CE2-CD2 3.99Å; Y236-F333 AromaticContact CG-CD2 3.4Å; Y236-F333 HydrophobicContact CG-CD2 3.4Å; Y236-F333 VanDerWaalsContact CG-CD2 3.4Å; Y236-F333 AromaticContact CG-CE2 3.74Å; Y236-F333 HydrophobicContact CG-CE2 3.74Å; I260-F333 HydrophobicContact CD1-CD1 4.33Å; I260-F333 HydrophobicContact CD1-CG 4.35Å; L302-F333 HydrophobicContact CD2-CE1 4.06Å; L302-F333 HydrophobicContact CD2-CZ 3.89Å; L302-F333 HydrophobicContact CG-CE1 4.47Å; F306-F333 HydrophobicContact CE1-CD1 4.04Å; F306-F333 AromaticContact CE2-CD1 3.74Å; F306-F333 HydrophobicContact CE2-CD1 3.74Å; F306-F333 AromaticContact CE2-CE1 3.61Å; F306-F333 HydrophobicContact CE2-CE1 3.61Å; F306-F333 AromaticContact CZ-CD1 3.26Å; F306-F333 HydrophobicContact CZ-CD1 3.26Å; F306-F333 AromaticContact CZ-CE1 3.52Å; F306-F333 HydrophobicContact CZ-CE1 3.52Å; F306-F333 HydrophobicContact CZ-CG 4.39Å; Y329-F333 WeakPolarHBondContact O-CB 3.41Å; Y329-F333 PolarHBondContact O-N 3.47Å; L330-F333 PolarHBondContact O-N 2.82Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 3.12Å; F333-Y336 HydrophobicContact CE2-CD1 4.44Å; F333-Y336 CarbonylContact O-C 3.58Å; F333-Y336 WeakPolarHBondContact O-CA 3.35Å; F333-Y336 VanDerWaalsContact O-CB 3.29Å; F333-Y336 WeakPolarHBondContact O-CB 3.46Å; F333-Y336 PolarHBondContact O-N 3.29Å; F333-L337 HydrophobicContact CD1-CD1 4.12Å; F333-L337 HydrophobicContact CD1-CG 4.21Å; F333-L337 HydrophobicContact CE1-CD1 3.67Å; F333-L337 HydrophobicContact CE1-CD2 4.02Å; F333-L337 HydrophobicContact CE1-CG 3.84Å; F333-L337 HydrophobicContact CZ-CD1 4.38Å; F333-L337 HydrophobicContact CZ-CD2 3.88Å; F333-L337 HydrophobicContact CZ-CG 4.18Å; F333-L337 PolarHBondContact O-N 3.36Å
334L97.1Very high93.7Very high0 Ų049.8 Ų49.80%028%0.275CS..Hα-helixtrans-60-37.7175.3-78.3168000112.4V197 I199 P200 L203 L303 F306 L330 Y336 L337 A338V197-L334 HydrophobicContact CG1-CD1 3.71Å; I199-L334 HydrophobicContact CD1-CD1 4.09Å; I199-L334 HydrophobicContact CD1-CD2 4.18Å; P200-L334 HydrophobicContact CG-CB 3.85Å; L203-L334 HydrophobicContact CD1-CD2 4.32Å; L303-L334 HydrophobicContact CD1-CD2 3.93Å; F306-L334 HydrophobicContact CB-CD1 4.27Å; F306-L334 HydrophobicContact CB-CD2 3.85Å; F306-L334 HydrophobicContact CB-CG 4.46Å; F306-L334 HydrophobicContact CD1-CD1 4.03Å; F306-L334 HydrophobicContact CD1-CD2 4.1Å; F306-L334 HydrophobicContact CD1-CG 3.97Å; F306-L334 HydrophobicContact CD2-CD2 3.92Å; F306-L334 HydrophobicContact CE1-CG 4.41Å; F306-L334 HydrophobicContact CG-CD1 4.27Å; F306-L334 HydrophobicContact CG-CD2 3.68Å; F306-L334 HydrophobicContact CG-CG 4.08Å; L330-L334 WeakPolarHBondContact O-CB 3.36Å; L330-L334 WeakPolarHBondContact O-CG 3.27Å; L330-L334 PolarHBondContact O-N 3.31Å; L334-Y336 VanDerWaalsContact C-N 3.33Å; L334-L337 HydrophobicContact CD2-CD1 4.4Å; L334-L337 PolarHBondContact O-N 3.39Å; L334-A338 WeakPolarHBondContact O-CB 3.42Å; L334-A338 PolarHBondContact O-N 3.42Å
335K96.6Very high94.1Very high124 Ų12448 Ų4854%0.53926%0.258SS..Hα-helixtrans-66.3-34.9172.4-75170.2-175.91740112.2H331 D332 F333 A338 K339H331-K335 VanDerWaalsContact O-CG 3.28Å; H331-K335 WeakPolarHBondContact O-CG 3.4Å; H331-K335 PolarHBondContact O-N 2.86Å; D332-K335 WeakPolarHBondContact O-CB 3.26Å; D332-K335 PolarHBondContact O-N 2.76Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 3.12Å; K335-A338 PolarHBondContact O-N 3.43Å; K335-K339 VanDerWaalsContact O-CG 3.29Å; K335-K339 WeakPolarHBondContact O-CG 3.5Å; K335-K339 PolarHBondContact O-N 3.3Å
336Y96.8Very high94.4Very high22 Ų2245.2 Ų45.29%0.08625%0.247CC..Hα-helixtrans-64.1-45.1172.4169.7-91.7000111.1D235 Y236 Y239 D332 F333 L334 A338 K339 N340D235-Y336 WeakPolarHBondContact CB-OH 3.31Å; Y236-Y336 AromaticContact CD2-CD1 3.89Å; Y236-Y336 HydrophobicContact CD2-CD1 3.89Å; Y236-Y336 HydrophobicContact CD2-CD2 4.08Å; Y236-Y336 AromaticContact CD2-CG 3.65Å; Y236-Y336 HydrophobicContact CD2-CG 3.65Å; Y236-Y336 HydrophobicContact CE2-CG 4.38Å; Y236-Y336 HydrophobicContact CG-CD1 4.44Å; Y239-Y336 AromaticContact CD1-CD2 3.68Å; Y239-Y336 HydrophobicContact CD1-CD2 3.68Å; Y239-Y336 HydrophobicContact CD1-CE2 4.1Å; Y239-Y336 HydrophobicContact CD2-CD2 4.49Å; Y239-Y336 HydrophobicContact CD2-CE2 4.34Å; Y239-Y336 HydrophobicContact CE1-CD2 4Å; Y239-Y336 AromaticContact CG-CD2 3.94Å; Y239-Y336 HydrophobicContact CG-CD2 3.94Å; Y239-Y336 AromaticContact CG-CE2 3.88Å; Y239-Y336 HydrophobicContact CG-CE2 3.88Å; D332-Y336 PolarHBondContact O-N 2.8Å; F333-Y336 HydrophobicContact CE2-CD1 4.44Å; F333-Y336 CarbonylContact O-C 3.58Å; F333-Y336 WeakPolarHBondContact O-CA 3.35Å; F333-Y336 VanDerWaalsContact O-CB 3.29Å; F333-Y336 WeakPolarHBondContact O-CB 3.46Å; F333-Y336 PolarHBondContact O-N 3.29Å; L334-Y336 VanDerWaalsContact C-N 3.33Å; Y336-A338 VanDerWaalsContact C-N 3.32Å; Y336-A338 PolarHBondContact O-N 3.04Å; Y336-K339 PolarHBondContact O-N 3.16Å; Y336-N340 WeakPolarHBondContact CD2-ND2 3.37Å; Y336-N340 WeakPolarHBondContact CE2-ND2 3.23Å; Y336-N340 PolarHBondContact O-N 3.05Å; Y336-N340 VanDerWaalsContact O-N 3.12Å; Y336-N340 PolarHBondContact O-ND2 3.23Å
337L97.4Very high94.5Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-59-43.6173.7-63.8-176.1000111.7L203 I232 L303 F306 F333 L334 K339 N340 S341 L344L203-L337 HydrophobicContact CD1-CB 4.03Å; I232-L337 HydrophobicContact CG2-CD2 3.91Å; L303-L337 HydrophobicContact CD1-CD1 4.41Å; F306-L337 HydrophobicContact CE2-CD1 4.47Å; F333-L337 HydrophobicContact CD1-CD1 4.12Å; F333-L337 HydrophobicContact CD1-CG 4.21Å; F333-L337 HydrophobicContact CE1-CD1 3.67Å; F333-L337 HydrophobicContact CE1-CD2 4.02Å; F333-L337 HydrophobicContact CE1-CG 3.84Å; F333-L337 HydrophobicContact CZ-CD1 4.38Å; F333-L337 HydrophobicContact CZ-CD2 3.88Å; F333-L337 HydrophobicContact CZ-CG 4.18Å; F333-L337 PolarHBondContact O-N 3.36Å; L334-L337 HydrophobicContact CD2-CD1 4.4Å; L334-L337 PolarHBondContact O-N 3.39Å; L337-K339 PolarHBondContact O-N 3.48Å; L337-N340 CarbonylContact O-C 3.59Å; L337-N340 PolarHBondContact O-N 2.78Å; L337-S341 WeakPolarHBondContact O-CA 3.44Å; L337-S341 PolarHBondContact O-N 3.24Å; L337-L344 HydrophobicContact CD2-CD1 3.65Å
338A96.3Very high94.7Very high15 Ų1548.2 Ų48.212%0.12428%0.277CS..Hα-helixtrans-61.3-43.3178.300000112.5P200 E202 L203 L334 K335 Y336 N340 S341P200-A338 HydrophobicContact CB-CB 4.25Å; P200-A338 HydrophobicContact CG-CB 4.47Å; E202-A338 HydrophobicContact CB-CB 4.44Å; L203-A338 HydrophobicContact CD1-CB 4.11Å; L203-A338 HydrophobicContact CD2-CB 4.28Å; L203-A338 HydrophobicContact CG-CB 3.96Å; L334-A338 WeakPolarHBondContact O-CB 3.42Å; L334-A338 PolarHBondContact O-N 3.42Å; K335-A338 PolarHBondContact O-N 3.43Å; Y336-A338 VanDerWaalsContact C-N 3.32Å; Y336-A338 PolarHBondContact O-N 3.04Å; A338-N340 VanDerWaalsContact C-N 3.29Å; A338-N340 PolarHBondContact O-N 3.4Å; A338-S341 VanDerWaalsContact O-CB 3.25Å; A338-S341 WeakPolarHBondContact O-CB 3.37Å; A338-S341 PolarHBondContact O-N 2.61Å; A338-S341 PolarHBondContact O-OG 2.96Å
339K96.5Very high94.9Very high135 Ų13544.4 Ų44.459%0.58726%0.257SS*.Hα-helixtrans-64.4-32.9177.6-75.3171.2-179.2175.10113.2K335 Y336 L337K335-K339 VanDerWaalsContact O-CG 3.29Å; K335-K339 WeakPolarHBondContact O-CG 3.5Å; K335-K339 PolarHBondContact O-N 3.3Å; Y336-K339 PolarHBondContact O-N 3.16Å; L337-K339 PolarHBondContact O-N 3.48Å
340N95.9Very high95.1Very high53 Ų5343.7 Ų43.728%0.28325%0.254SS..THydrogen-bonded Turntrans-102.220.2179.5-59.3-75.4000111.6Y336 L337 A338 A342 T343 L344Y336-N340 WeakPolarHBondContact CD2-ND2 3.37Å; Y336-N340 WeakPolarHBondContact CE2-ND2 3.23Å; Y336-N340 PolarHBondContact O-N 3.05Å; Y336-N340 VanDerWaalsContact O-N 3.12Å; Y336-N340 PolarHBondContact O-ND2 3.23Å; L337-N340 CarbonylContact O-C 3.59Å; L337-N340 PolarHBondContact O-N 2.78Å; A338-N340 VanDerWaalsContact C-N 3.29Å; A338-N340 PolarHBondContact O-N 3.4Å; N340-A342 VanDerWaalsContact C-N 3.29Å; N340-A342 PolarHBondContact O-N 3.21Å; N340-T343 PolarHBondContact O-N 3.46Å; N340-T343 VanDerWaalsContact O-N 3.13Å; N340-T343 PolarHBondContact O-OG1 3.09Å; N340-L344 HydrophobicContact CB-CD1 3.77Å; N340-L344 HydrophobicContact CB-CG 4.12Å; N340-L344 WeakPolarHBondContact O-CB 3.25Å; N340-L344 WeakPolarHBondContact O-CG 3.47Å; N340-L344 PolarHBondContact O-N 3.37Å
341S94.3Very high95.2Very high25 Ų2548.5 Ų48.518%0.17528%0.276CS..Hα-helixtrans-62.3-36.5-171.751.40000112.8L337 A338 T343 L344 F345L337-S341 WeakPolarHBondContact O-CA 3.44Å; L337-S341 PolarHBondContact O-N 3.24Å; A338-S341 VanDerWaalsContact O-CB 3.25Å; A338-S341 WeakPolarHBondContact O-CB 3.37Å; A338-S341 PolarHBondContact O-N 2.61Å; A338-S341 PolarHBondContact O-OG 2.96Å; S341-T343 PolarHBondContact O-N 2.87Å; S341-L344 PolarHBondContact O-N 3.42Å; S341-F345 WeakPolarHBondContact O-CD2 3.27Å; S341-F345 PolarHBondContact O-N 3.46Å
342A93.6Very high95.2Very high89 Ų8951 Ų5174%0.73629%0.294SS*.Hα-helixtrans-64-24.4178.600000114.2N340N340-A342 VanDerWaalsContact C-N 3.29Å; N340-A342 PolarHBondContact O-N 3.21Å
343T94.2Very high95.3Very high112 Ų11248.9 Ų48.969%0.68728%0.284SS*.Hα-helixtrans-99.6-27.7178.3590000112.4N340 S341N340-T343 PolarHBondContact O-N 3.46Å; N340-T343 VanDerWaalsContact O-N 3.13Å; N340-T343 PolarHBondContact O-OG1 3.09Å; S341-T343 PolarHBondContact O-N 2.87Å
344L93.9Very high95.1Very high19 Ų1952.1 Ų52.110%0.09931%0.305CS..Hα-helixtrans-89-29.3-177.2-67.8176.1000113.4I232 A299 L337 N340 S341I232-L344 HydrophobicContact CD1-CD2 4.04Å; I232-L344 HydrophobicContact CG1-CD2 3.88Å; A299-L344 HydrophobicContact CB-CB 3.92Å; A299-L344 HydrophobicContact CB-CD2 4.45Å; A299-L344 WeakPolarHBondContact CB-O 3.44Å; L337-L344 HydrophobicContact CD2-CD1 3.65Å; N340-L344 HydrophobicContact CB-CD1 3.77Å; N340-L344 HydrophobicContact CB-CG 4.12Å; N340-L344 WeakPolarHBondContact O-CB 3.25Å; N340-L344 WeakPolarHBondContact O-CG 3.47Å; N340-L344 PolarHBondContact O-N 3.37Å; S341-L344 PolarHBondContact O-N 3.42Å
345F94.9Very high94.9Very high9 Ų956.6 Ų56.64%0.03933%0.334CS..  trans-120.2118.5-178.4-51.3-77.3000109.4L203 W206 A299 P300 L303 S341L203-F345 HydrophobicContact CD2-CD2 4.25Å; L203-F345 HydrophobicContact CD2-CE2 3.61Å; L203-F345 HydrophobicContact CD2-CZ 4.23Å; W206-F345 HydrophobicContact CD2-CB 3.52Å; W206-F345 HydrophobicContact CD2-CG 4.14Å; W206-F345 HydrophobicContact CE3-CB 3.54Å; W206-F345 HydrophobicContact CE3-CG 4.43Å; W206-F345 HydrophobicContact CG-CB 4.15Å; W206-F345 HydrophobicContact CG-CD2 4.42Å; W206-F345 HydrophobicContact CG-CG 4.25Å; W206-F345 HydrophobicContact CH2-CB 3.89Å; W206-F345 WeakPolarHBondContact CH2-O 3.45Å; W206-F345 HydrophobicContact CZ2-CB 3.88Å; W206-F345 WeakPolarHBondContact CZ2-O 3.26Å; W206-F345 HydrophobicContact CZ3-CB 3.72Å; A299-F345 HydrophobicContact CB-CD1 4.23Å; A299-F345 HydrophobicContact CB-CE1 3.82Å; A299-F345 HydrophobicContact CB-CZ 4.23Å; P300-F345 HydrophobicContact CG-CD1 4.36Å; L303-F345 HydrophobicContact CB-CE1 4.03Å; L303-F345 HydrophobicContact CB-CZ 4.18Å; L303-F345 HydrophobicContact CD2-CE1 3.83Å; L303-F345 HydrophobicContact CD2-CZ 3.81Å; L303-F345 HydrophobicContact CG-CZ 4.48Å; S341-F345 WeakPolarHBondContact O-CD2 3.27Å; S341-F345 PolarHBondContact O-N 3.46Å
346S93.1Very high94.7Very high37 Ų3755.4 Ų55.426%0.25933%0.33SS..  trans-142.3136.6174-175.10000110.3S348 D349S346-S348 PolarHBondContact O-N 2.91Å; S346-S348 WeakPolarHBondContact OG-CB 3.24Å; S346-S348 PolarHBondContact OG-N 3.5Å; S346-S348 PolarHBondContact OG-OG 3.07Å; S346-D349 PolarHBondContact O-N 3.27Å
347A91.5Very high94.6Very high55 Ų5555 Ų5546%0.45533%0.328SS..G310 helixtrans-64.7-22.1170.500000111.9L213 D349 Y350L213-A347 HydrophobicContact CD1-CB 4.49Å; A347-D349 PolarHBondContact O-N 3.27Å; A347-Y350 PolarHBondContact O-N 2.89Å; A347-Y350 VanDerWaalsContact O-N 3.13Å
348S93.6Very high94.2Very high79 Ų7958 Ų5855%0.55234%0.342SS*.G310 helixtrans-68.6-11.7175.668.70000113.8S346S346-S348 PolarHBondContact O-N 2.91Å; S346-S348 WeakPolarHBondContact OG-CB 3.24Å; S346-S348 PolarHBondContact OG-N 3.5Å; S346-S348 PolarHBondContact OG-OG 3.07Å
349D94.8Very high93.9Very high27 Ų2766 Ų6614%0.14437%0.369CS..G310 helixtrans-89.110.9174.6-62.3-42.5000112.3F221 Y222 K226 S346 A347F221-D349 WeakPolarHBondContact CA-O 3.26Å; F221-D349 HydrophobicContact CD2-CB 4.18Å; F221-D349 WeakPolarHBondContact CD2-O 3.11Å; F221-D349 HydrophobicContact CE2-CB 3.6Å; F221-D349 HydrophobicContact CZ-CB 4.22Å; Y222-D349 VanDerWaalsContact CD2-C 3.46Å; Y222-D349 WeakPolarHBondContact CD2-O 3.38Å; Y222-D349 PolarHBondContact N-O 2.71Å; K226-D349 IonicContact NZ-OD1 3.59Å; K226-D349 PolarHBondContact NZ-OD1 3.11Å; S346-D349 PolarHBondContact O-N 3.27Å; A347-D349 PolarHBondContact O-N 3.27Å
350Y96.6Very high93.5Very high19 Ų1965.7 Ų65.78%0.07537%0.368CS..EExtended strand (participates in β ladder)trans-116.2146.4172.8-63.2-102.3000110.7D210 L213 I214 L220 F221 P300 A347D210-Y350 PolarHBondContact OD1-OH 3.26Å; L213-Y350 HydrophobicContact CB-CD1 4.24Å; L213-Y350 HydrophobicContact CB-CE1 4.45Å; L213-Y350 HydrophobicContact CD1-CD1 4.36Å; L213-Y350 HydrophobicContact CD1-CD2 3.88Å; L213-Y350 HydrophobicContact CD1-CE1 4.43Å; L213-Y350 HydrophobicContact CD1-CE2 3.96Å; L213-Y350 HydrophobicContact CD1-CG 4.09Å; I214-Y350 HydrophobicContact CD1-CD1 3.84Å; I214-Y350 HydrophobicContact CD1-CE1 3.66Å; I214-Y350 HydrophobicContact CG1-CE1 4.22Å; L220-Y350 CarbonylContact O-C 3.53Å; L220-Y350 WeakPolarHBondContact O-CA 3.41Å; F221-Y350 HydrophobicContact CB-CD1 4.19Å; F221-Y350 HydrophobicContact CB-CE1 3.96Å; F221-Y350 HydrophobicContact CD2-CD1 4.48Å; F221-Y350 HydrophobicContact CD2-CD2 4.32Å; F221-Y350 HydrophobicContact CD2-CE1 4.05Å; F221-Y350 AromaticContact CD2-CE2 3.88Å; F221-Y350 HydrophobicContact CD2-CE2 3.88Å; F221-Y350 AromaticContact CD2-CZ 3.72Å; F221-Y350 HydrophobicContact CE2-CE2 4.44Å; P300-Y350 WeakPolarHBondContact CB-OH 3.21Å; P300-Y350 VanDerWaalsContact CG-OH 3.26Å; P300-Y350 WeakPolarHBondContact CG-OH 3.43Å; A347-Y350 PolarHBondContact O-N 2.89Å; A347-Y350 VanDerWaalsContact O-N 3.13Å
351E95.4Very high92.7Very high106 Ų10663.7 Ų63.750%0.49536%0.359SS..EExtended strand (participates in β ladder)trans-126.3145.3173.2-164.1173179.600110.5Q219 L220 Y222 A353Q219-E351 CarbonylContact C-O 3.46Å; Q219-E351 WeakPolarHBondContact CA-O 3.34Å; Q219-E351 WeakPolarHBondContact CB-O 3.45Å; L220-E351 PolarHBondContact N-O 2.79Å; L220-E351 PolarHBondContact O-N 2.98Å; Y222-E351 HydrophobicContact CE1-CB 3.95Å; Y222-E351 HydrophobicContact CE1-CG 4.5Å; Y222-E351 WeakPolarHBondContact CE1-OE2 3.34Å; Y222-E351 HydrophobicContact CE2-CB 4.03Å; Y222-E351 WeakPolarHBondContact OH-CB 3.48Å; Y222-E351 WeakPolarHBondContact OH-CG 2.97Å; Y222-E351 PolarHBondContact OH-OE2 2.88Å; E351-A353 PolarHBondContact O-N 2.95Å
352V96Very high91.2Very high94 Ų9470 Ų7057%0.5740%0.397SS*.EExtended strand (participates in β ladder)trans-59.9124.4170-179.70000109.2Q219Q219-V352 HydrophobicContact CG-CG2 4.18Å
353A95.1Very high91.1Very high6 Ų669.1 Ų69.15%0.0538%0.38CS..PPolyproline II helixtrans-63.9135.9-179.200000110.7K218 L220 F276 E351 Y357 H358K218-A353 VanDerWaalsContact O-CB 3.27Å; K218-A353 WeakPolarHBondContact O-CB 3.07Å; K218-A353 PolarHBondContact O-N 2.9Å; L220-A353 HydrophobicContact CD1-CB 3.74Å; L220-A353 HydrophobicContact CG-CB 4.04Å; F276-A353 HydrophobicContact CE1-CB 3.82Å; F276-A353 HydrophobicContact CZ-CB 3.7Å; E351-A353 PolarHBondContact O-N 2.95Å; A353-Y357 HydrophobicContact CB-CD1 3.78Å; A353-Y357 HydrophobicContact CB-CG 4.19Å; A353-H358 PolarHBondContact O-NE2 3.13Å
354P93.9Very high91Very high69 Ų6966.8 Ų66.845%0.44836%0.363SS..PPolyproline II helixtrans-67.2155.2-179.627.2-34000111.2E356 Y357 H358P354-E356 PolarHBondContact O-N 3.19Å; P354-E356 VanDerWaalsContact O-N 3.09Å; P354-Y357 WeakPolarHBondContact O-CA 3.33Å; P354-Y357 VanDerWaalsContact O-CB 3.26Å; P354-Y357 WeakPolarHBondContact O-CB 3.43Å; P354-Y357 PolarHBondContact O-N 3.31Å; P354-H358 PolarHBondContact O-CD2 2.89Å; P354-H358 PolarHBondContact O-N 3.5Å
355P91.9Very high90.8Very high93 Ų9369.5 Ų69.560%0.60438%0.378SS*.Hα-helixtrans-54.9-31.2179.9-26.535.4000114.2Y357 H358 R359P355-Y357 VanDerWaalsContact C-N 3.3Å; P355-Y357 PolarHBondContact O-N 2.65Å; P355-H358 PolarHBondContact O-N 3.21Å; P355-R359 PolarHBondContact O-N 3.38Å
356E92.4Very high90.6Very high100 Ų10073.1 Ų73.147%0.46740%0.398SS..Hα-helixtrans-58.1-42.7172.9-67.858-123.300111.5P354 R359P354-E356 PolarHBondContact O-N 3.19Å; P354-E356 VanDerWaalsContact O-N 3.09Å; E356-R359 PolarHBondContact O-N 3.01Å; E356-R359 IonicContact OE1-NH2 3.74Å; E356-R359 PolarHBondContact OE1-NH2 3.13Å
357Y94.7Very high90.4Very high12 Ų1275.3 Ų75.35%0.04741%0.407CS..Hα-helixtrans-68.2-40.6-179.6-173.4-85000111.4L220 F276 P279 Q280 A353 P354 P355 R359 K360 A361L220-Y357 HydrophobicContact CD1-CD1 3.74Å; L220-Y357 HydrophobicContact CD1-CD2 3.82Å; L220-Y357 HydrophobicContact CD1-CE1 3.51Å; L220-Y357 HydrophobicContact CD1-CE2 3.58Å; L220-Y357 HydrophobicContact CD1-CG 3.9Å; L220-Y357 VanDerWaalsContact CD1-CZ 3.41Å; L220-Y357 HydrophobicContact CD2-CE1 3.95Å; L220-Y357 HydrophobicContact CG-CE1 4.19Å; F276-Y357 HydrophobicContact CD1-CE1 4.37Å; F276-Y357 HydrophobicContact CD2-CE1 4.47Å; F276-Y357 HydrophobicContact CE1-CD1 4.31Å; F276-Y357 HydrophobicContact CE1-CE1 4.03Å; F276-Y357 HydrophobicContact CE2-CD1 4.23Å; F276-Y357 HydrophobicContact CE2-CE1 4.15Å; F276-Y357 AromaticContact CZ-CD1 3.86Å; F276-Y357 HydrophobicContact CZ-CD1 3.86Å; F276-Y357 AromaticContact CZ-CE1 3.91Å; F276-Y357 HydrophobicContact CZ-CE1 3.91Å; F276-Y357 VanDerWaalsContact O-CE1 3.24Å; F276-Y357 WeakPolarHBondContact O-CE1 3.41Å; F276-Y357 PolarHBondContact O-OH 3.47Å; P279-Y357 HydrophobicContact CB-CE2 3.79Å; P279-Y357 WeakPolarHBondContact CD-OH 3.35Å; P279-Y357 HydrophobicContact CG-CE1 4.43Å; Q280-Y357 HydrophobicContact CB-CE2 3.76Å; Q280-Y357 VanDerWaalsContact CB-OH 3.28Å; Q280-Y357 WeakPolarHBondContact CB-OH 2.95Å; Q280-Y357 PolarHBondContact N-OH 3.38Å; A353-Y357 HydrophobicContact CB-CD1 3.78Å; A353-Y357 HydrophobicContact CB-CG 4.19Å; P354-Y357 WeakPolarHBondContact O-CA 3.33Å; P354-Y357 VanDerWaalsContact O-CB 3.26Å; P354-Y357 WeakPolarHBondContact O-CB 3.43Å; P354-Y357 PolarHBondContact O-N 3.31Å; P355-Y357 VanDerWaalsContact C-N 3.3Å; P355-Y357 PolarHBondContact O-N 2.65Å; Y357-R359 PolarHBondContact O-N 3.26Å; Y357-K360 WeakPolarHBondContact O-CB 3.38Å; Y357-K360 PolarHBondContact O-N 2.99Å; Y357-A361 HydrophobicContact CD1-CB 4.22Å; Y357-A361 HydrophobicContact CE1-CB 3.94Å; Y357-A361 PolarHBondContact O-N 2.83Å; Y357-A361 VanDerWaalsContact O-N 3.13Å
358H89.1Confident90.3Very high63 Ų6376.7 Ų76.729%0.29240%0.403SS..Hα-helixtrans-55.9-39.3177.6-80.2-119.3000112.2F276 A353 P354 P355 K360 A361 V362F276-H358 AromaticContact CZ-NE2 3.85Å; A353-H358 PolarHBondContact O-NE2 3.13Å; P354-H358 PolarHBondContact O-CD2 2.89Å; P354-H358 PolarHBondContact O-N 3.5Å; P355-H358 PolarHBondContact O-N 3.21Å; H358-K360 PolarHBondContact O-N 3.28Å; H358-A361 PolarHBondContact O-N 2.7Å; H358-A361 VanDerWaalsContact O-N 3.11Å; H358-V362 VanDerWaalsContact O-CG2 3.28Å; H358-V362 WeakPolarHBondContact O-CG2 3.49Å; H358-V362 PolarHBondContact O-N 3.17Å
359R89.9Confident90.1Very high183 Ų18376.5 Ų76.569%0.69139%0.393SS*.Hα-helixtrans-62.6-29.8177.9-69.6-179.3-81.5-167.7-5.5113.2P355 E356 Y357P355-R359 PolarHBondContact O-N 3.38Å; E356-R359 PolarHBondContact O-N 3.01Å; E356-R359 IonicContact OE1-NH2 3.74Å; E356-R359 PolarHBondContact OE1-NH2 3.13Å; Y357-R359 PolarHBondContact O-N 3.26Å
360K88.1Confident89.7Confident129 Ų12980.3 Ų80.356%0.56141%0.412SS*.Hα-helixtrans-81.9-24.2176.4-60.9175175.6174.60112.7P279 E283 Y357 H358P279-K360 HydrophobicContact CB-CB 3.84Å; P279-K360 HydrophobicContact CG-CB 3.98Å; P279-K360 WeakPolarHBondContact CG-O 3.39Å; E283-K360 IonicContact OE1-NZ 3.11Å; E283-K360 PolarHBondContact OE1-NZ 2.75Å; Y357-K360 WeakPolarHBondContact O-CB 3.38Å; Y357-K360 PolarHBondContact O-N 2.99Å; H358-K360 PolarHBondContact O-N 3.28Å
361A79.4Confident89.2Confident12 Ų1285.4 Ų85.410%0.09944%0.44CS..Hα-helixtrans-95.1-10.3-169.800000115.4F276 P279 Y357 H358F276-A361 HydrophobicContact CD2-CB 3.55Å; F276-A361 HydrophobicContact CE2-CB 3.6Å; P279-A361 HydrophobicContact CG-CB 3.84Å; Y357-A361 HydrophobicContact CD1-CB 4.22Å; Y357-A361 HydrophobicContact CE1-CB 3.94Å; Y357-A361 PolarHBondContact O-N 2.83Å; Y357-A361 VanDerWaalsContact O-N 3.13Å; H358-A361 PolarHBondContact O-N 2.7Å; H358-A361 VanDerWaalsContact O-N 3.11Å
362V63.9Low88.6Confident158 Ų15883.5 Ų83.596%0.95844%0.435SS*.  trans-740-177.11700000111.7K275 H358K275-V362 PolarHBondContact NZ-OXT 2.65Å; H358-V362 VanDerWaalsContact O-CG2 3.28Å; H358-V362 WeakPolarHBondContact O-CG2 3.49Å; H358-V362 PolarHBondContact O-N 3.17Å

Retrieved 362 of 362 residues in 1300.5 ms (Link to these results)

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