A0A087XUK5_POEFO Loading...

Mortality factor 4-like protein 1

AlphaFold DB , UniProt , Accession A0A087XUK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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
1M44.2Very low72Confident237 Ų237120.6 Ų120.6100%1.16762%0.624SS**  0135.30-79.9162.150.200107.9
2A49.4Very low73.8Confident90 Ų90122.5 Ų122.574%0.74463%0.628SS**  trans-69.4143.217100000110.4
3P54.6Low75.4Confident119 Ų119121.8 Ų121.877%0.77362%0.621SS**  trans-65137.1172.628.2-33.7000109.7Q5P3-Q5 PolarHBondContact O-N 2.96Å
4K60.8Low76.5Confident172 Ų172116.1 Ų116.175%0.74861%0.607SS**  trans-80.1109.4173.3-67.2-179-179.2178.40107.8
5Q67.3Low77.8Confident184 Ų184111.1 Ų111.186%0.8658%0.579SS**PPolyproline II helixtrans-63.6146.6175.4-68.5176.3-2000110.8P3P3-Q5 PolarHBondContact O-N 2.96Å
6D74.1Confident79Confident114 Ų114111.8 Ų111.861%0.6157%0.572SS**PPolyproline II helixtrans-71.5153.8170.5-71.5-58000111.3K8D6-K8 PolarHBondContact O-N 2.96Å
7P79.6Confident80.1Confident44 Ų44105.2 Ų105.229%0.28654%0.538SS..PPolyproline II helixtrans-66.3127.7-17728.6-35.8000110.7I35 K38 I40P7-I35 HydrophobicContact CG-CG2 4.2Å; P7-K38 HydrophobicContact CG-CB 4.12Å; P7-K38 WeakPolarHBondContact CG-O 3.41Å; P7-I40 HydrophobicContact CB-CD1 3.87Å; P7-I40 HydrophobicContact CB-CG1 4.35Å; P7-I40 HydrophobicContact CG-CD1 4.18Å; P7-I40 HydrophobicContact CG-CG1 4.09Å
8K86.4Confident81Confident186 Ų18699.4 Ų99.481%0.80951%0.508SS*.PPolyproline II helixtrans-77130-179.1-173177.9-179.41780110.5D6D6-K8 PolarHBondContact O-N 2.96Å
9P89.1Confident81.8Confident40 Ų4094.2 Ų94.226%0.2648%0.482SS..PPolyproline II helixtrans-65.8140.2178.827.3-34.1000112F11 I33 I35 I40 Y42P9-F11 VanDerWaalsContact C-N 3.32Å; P9-I33 HydrophobicContact CB-CD1 4.22Å; P9-I33 HydrophobicContact CB-CG2 4.14Å; P9-I33 HydrophobicContact CG-CD1 4.2Å; P9-I33 HydrophobicContact CG-CG2 4.42Å; P9-I35 HydrophobicContact CG-CD1 4.3Å; P9-I40 HydrophobicContact CB-CG2 4.18Å; P9-Y42 WeakPolarHBondContact CA-OH 3.36Å; P9-Y42 HydrophobicContact CB-CE1 4.15Å; P9-Y42 VanDerWaalsContact CB-OH 3.26Å; P9-Y42 WeakPolarHBondContact CB-OH 3.36Å
10K91.5Very high82.4Confident133 Ų13391.8 Ų91.858%0.57847%0.468SS*.SBendtrans-74.7-19.1175.7-67.4-178.5-177.4121.10113.9Y42 E59 K64K10-Y42 PolarHBondContact N-OH 3.17Å; K10-E59 WeakPolarHBondContact CB-OE1 3.48Å; K10-E59 HydrophobicContact CD-CG 4.07Å; K10-E59 WeakPolarHBondContact CD-OE2 3.23Å; K10-E59 VanDerWaalsContact CE-OE2 3.27Å; K10-E59 WeakPolarHBondContact CE-OE2 3.33Å; K10-E59 WeakPolarHBondContact CG-OE1 3.43Å; K10-E59 PolarHBondContact N-OE1 2.81Å; K10-E59 IonicContact NZ-OE2 3.85Å; K10-E59 PolarHBondContact NZ-OE2 3.37Å; K10-K64 PolarHBondContact O-NZ 2.89Å; K10-K64 VanDerWaalsContact O-NZ 3.15Å
11F94.9Very high82.7Confident8 Ų889.8 Ų89.84%0.03546%0.456CS..SBendtrans-127.8156.2-176.7-51.6-84.2000111.4P9 E15 V17 I33 Y42 E59 V62 K64P9-F11 VanDerWaalsContact C-N 3.32Å; F11-E15 VanDerWaalsContact CA-OE2 3.27Å; F11-E15 WeakPolarHBondContact CA-OE2 3.45Å; F11-V17 HydrophobicContact CD1-CG1 3.51Å; F11-V17 HydrophobicContact CE1-CG1 3.92Å; F11-V17 HydrophobicContact CG-CG1 4.21Å; F11-I33 VanDerWaalsContact O-CD1 3.23Å; F11-I33 WeakPolarHBondContact O-CD1 3.27Å; F11-Y42 HydrophobicContact CB-CD1 4.34Å; F11-Y42 HydrophobicContact CB-CE1 3.78Å; F11-Y42 HydrophobicContact CD2-CD2 4.49Å; F11-Y42 HydrophobicContact CD2-CE1 4.09Å; F11-Y42 AromaticContact CD2-CE2 3.9Å; F11-Y42 HydrophobicContact CD2-CE2 3.9Å; F11-Y42 AromaticContact CD2-CZ 3.66Å; F11-Y42 HydrophobicContact CG-CE1 4.44Å; F11-Y42 PolarHBondContact N-OH 3.32Å; F11-E59 HydrophobicContact CE2-CG 4.35Å; F11-V62 HydrophobicContact CD1-CG1 4.18Å; F11-V62 HydrophobicContact CD2-CB 4.17Å; F11-V62 HydrophobicContact CD2-CG1 3.87Å; F11-V62 HydrophobicContact CE1-CG1 3.93Å; F11-V62 HydrophobicContact CE2-CB 3.67Å; F11-V62 HydrophobicContact CE2-CG1 3.64Å; F11-V62 HydrophobicContact CG-CG1 4.15Å; F11-V62 HydrophobicContact CZ-CB 3.98Å; F11-V62 HydrophobicContact CZ-CG1 3.67Å; F11-V62 VanDerWaalsContact CZ-O 3.28Å; F11-V62 WeakPolarHBondContact CZ-O 3.28Å; F11-K64 HydrophobicContact CD1-CG 4.08Å; F11-K64 HydrophobicContact CE1-CB 4.26Å; F11-K64 HydrophobicContact CE1-CG 3.44Å; F11-K64 VanDerWaalsContact CE1-CG 3.44Å; F11-K64 HydrophobicContact CZ-CG 4.29Å
12Q94Very high84.7Confident143 Ų14381.3 Ų81.367%0.66843%0.43SS*.  trans-106.6155.1178.7-68.4174.980.400112.4G14 E15 C30Q12-G14 PolarHBondContact O-N 2.96Å; Q12-E15 HydrophobicContact CB-CB 4.41Å; Q12-E15 PolarHBondContact N-OE2 3.34Å; Q12-E15 WeakPolarHBondContact O-CB 3.27Å; Q12-E15 PolarHBondContact O-N 2.86Å; Q12-C30 WeakPolarHBondContact O-CB 3.33Å; Q12-C30 PolarHBondContact O-SG 3.4Å
13E94.8Very high86.5Confident114 Ų11481.5 Ų81.553%0.53342%0.424SS..THydrogen-bonded Turntrans-62.1130.2168.6-63.1-168.116800109.6K32 I33E13-K32 WeakPolarHBondContact OE1-CA 3.36Å; E13-I33 HydrophobicContact CG-CB 4.4Å; E13-I33 HydrophobicContact CG-CD1 3.94Å; E13-I33 HydrophobicContact CG-CG1 3.75Å; E13-I33 PolarHBondContact OE1-N 3.45Å
14G91Very high88.3Confident41 Ų4177 Ų7742%0.42339%0.393SS..THydrogen-bonded Turntrans92.3-15.1-171.400000115.2Q12 K29 C30Q12-G14 PolarHBondContact O-N 2.96Å; G14-K29 WeakPolarHBondContact O-CE 3.32Å; G14-C30 WeakPolarHBondContact CA-O 3.5Å; G14-C30 PolarHBondContact N-O 3.22Å
15E95.7Very high89.9Confident42 Ų4268.9 Ų68.920%0.19636%0.357CS..  trans-65.2135.7-175.8-169.1171.7157.100112.2F11 Q12 V17 C30 K64F11-E15 VanDerWaalsContact CA-OE2 3.27Å; F11-E15 WeakPolarHBondContact CA-OE2 3.45Å; Q12-E15 HydrophobicContact CB-CB 4.41Å; Q12-E15 PolarHBondContact N-OE2 3.34Å; Q12-E15 WeakPolarHBondContact O-CB 3.27Å; Q12-E15 PolarHBondContact O-N 2.86Å; E15-V17 HydrophobicContact CB-CG1 4.46Å; E15-V17 HydrophobicContact CG-CG1 4.18Å; E15-C30 HydrophobicContact CB-CB 4.5Å; E15-C30 PolarHBondContact O-N 3.33Å; E15-K64 IonicContact OE1-NZ 3.56Å; E15-K64 PolarHBondContact OE1-NZ 2.79Å; E15-K64 IonicContact OE2-NZ 2.9Å
16R96.6Very high91.1Very high122 Ų12263.2 Ų63.246%0.4633%0.329SS..EExtended strand (participates in β ladder)trans-79.2124.6172.2-170.9-176.1-172.3-154.4-0.8109E27 Y65R16-E27 HydrophobicContact CG-CG 4.47Å; R16-E27 IonicContact CZ-OE1 2.65Å; R16-E27 VanDerWaalsContact CZ-OE1 3.3Å; R16-E27 IonicContact CZ-OE2 2.79Å; R16-E27 VanDerWaalsContact NE-CD 3.27Å; R16-E27 IonicContact NE-OE1 3.02Å; R16-E27 PolarHBondContact NE-OE1 3.15Å; R16-E27 IonicContact NE-OE2 2.71Å; R16-E27 IonicContact NH2-OE1 3.3Å; R16-E27 PolarHBondContact NH2-OE1 2.65Å; R16-E27 IonicContact NH2-OE2 3.54Å; R16-E27 PolarHBondContact NH2-OE2 3.17Å; R16-Y65 HydrophobicContact CG-CD2 3.98Å; R16-Y65 HydrophobicContact CG-CG 4.25Å; R16-Y65 VanDerWaalsContact CZ-CE2 3.49Å; R16-Y65 VanDerWaalsContact NH1-CZ 3.32Å; R16-Y65 PolarHBondContact NH1-OH 2.86Å; R16-Y65 PolarHBondContact NH2-OH 3.06Å; R16-Y65 VanDerWaalsContact NH2-OH 3.17Å; R16-Y65 WeakPolarHBondContact O-CB 3.43Å
17V97.6Very high92.2Very high0 Ų060.7 Ų60.70%031%0.313CS..EExtended strand (participates in β ladder)trans-135.2168.9-171.2-65.80000110.8F11 E15 A28 I44 V62F11-V17 HydrophobicContact CD1-CG1 3.51Å; F11-V17 HydrophobicContact CE1-CG1 3.92Å; F11-V17 HydrophobicContact CG-CG1 4.21Å; E15-V17 HydrophobicContact CB-CG1 4.46Å; E15-V17 HydrophobicContact CG-CG1 4.18Å; V17-A28 HydrophobicContact CG2-CB 4.28Å; V17-A28 WeakPolarHBondContact CG2-O 3.41Å; V17-A28 PolarHBondContact N-O 3.01Å; V17-A28 PolarHBondContact O-N 3.48Å; V17-I44 HydrophobicContact CG2-CD1 4.29Å; V17-V62 HydrophobicContact CB-CG1 3.69Å; V17-V62 HydrophobicContact CG1-CG1 3.84Å; V17-V62 HydrophobicContact CG2-CG1 3.85Å
18L96Very high93Very high0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-108.4124.6165.6-65.3167000107.4L25 Y26 E27 L63 Y65 N69 L70L18-L25 HydrophobicContact CB-CD2 4.25Å; L18-Y26 CarbonylContact C-O 3.56Å; L18-Y26 WeakPolarHBondContact CA-O 3.49Å; L18-E27 HydrophobicContact CD2-CB 4.48Å; L18-L63 HydrophobicContact CB-CB 4.34Å; L18-L63 PolarHBondContact N-O 3.47Å; L18-L63 PolarHBondContact O-N 2.8Å; L18-Y65 HydrophobicContact CD2-CD2 4.08Å; L18-Y65 HydrophobicContact CD2-CE2 4.31Å; L18-Y65 HydrophobicContact CG-CD2 4.12Å; L18-N69 HydrophobicContact CD1-CB 3.62Å; L18-L70 HydrophobicContact CD1-CD2 3.96Å; L18-L70 HydrophobicContact CD1-CG 4.18Å; L18-L70 HydrophobicContact CD2-CD2 4.1Å
19C96.3Very high93.5Very high0 Ų054.8 Ų54.80%028%0.283CS..EExtended strand (participates in β ladder)trans-118.2136.8-178.8-173.90000110.9Y26 A28 I44 Y46 R61C19-Y26 PolarHBondContact N-O 2.87Å; C19-Y26 PolarHBondContact O-N 2.95Å; C19-A28 HydrophobicContact CB-CB 3.97Å; C19-I44 HydrophobicContact CB-CG2 3.87Å; C19-Y46 HydrophobicContact CB-CD1 4.47Å; C19-Y46 HydrophobicContact CB-CE1 3.71Å; C19-Y46 PolarHBondContact SG-OH 2.71Å; C19-Y46 VanDerWaalsContact SG-OH 3.4Å; C19-R61 WeakPolarHBondContact CA-O 3.39Å
20F93.5Very high93.9Very high46 Ų4652.9 Ų52.920%0.20227%0.271CS..EExtended strand (participates in β ladder)trans-72.8126.9172.8-81.6-76.2000110.9L24 L25 Y46 R61 L63 L76F20-L24 WeakPolarHBondContact CA-O 3.4Å; F20-L25 HydrophobicContact CB-CD2 4.48Å; F20-L25 HydrophobicContact CD1-CD2 3.82Å; F20-L25 HydrophobicContact CD1-CG 3.99Å; F20-L25 HydrophobicContact CD2-CD2 3.58Å; F20-L25 HydrophobicContact CD2-CG 4.48Å; F20-L25 HydrophobicContact CE1-CD1 4.44Å; F20-L25 HydrophobicContact CE1-CD2 3.87Å; F20-L25 HydrophobicContact CE1-CG 3.72Å; F20-L25 HydrophobicContact CE2-CD2 3.64Å; F20-L25 HydrophobicContact CE2-CG 4.26Å; F20-L25 HydrophobicContact CG-CD2 3.68Å; F20-L25 HydrophobicContact CG-CG 4.36Å; F20-L25 HydrophobicContact CZ-CD1 4.21Å; F20-L25 HydrophobicContact CZ-CD2 3.78Å; F20-L25 HydrophobicContact CZ-CG 3.86Å; F20-Y46 PolarHBondContact O-OH 3.4Å; F20-R61 HydrophobicContact CB-CB 4.42Å; F20-R61 HydrophobicContact CB-CG 4.35Å; F20-R61 PolarHBondContact N-O 3.48Å; F20-R61 VanDerWaalsContact O-CZ 3.28Å; F20-R61 PolarHBondContact O-NE 2.89Å; F20-R61 PolarHBondContact O-NH2 3.09Å; F20-L63 HydrophobicContact CE2-CD1 3.94Å; F20-L63 HydrophobicContact CE2-CG 4.38Å; F20-L63 HydrophobicContact CZ-CD1 4.48Å; F20-L76 HydrophobicContact CE1-CD1 3.8Å; F20-L76 HydrophobicContact CZ-CD1 4.33Å
21H88.6Confident94.1Very high50 Ų5049.2 Ų49.223%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-129.6112.9164.9-16994.7000108.3L24 Y26 Y46 W49 E55H21-L24 PolarHBondContact N-O 3.02Å; H21-Y26 HydrophobicContact CB-CD2 3.78Å; H21-Y26 HydrophobicContact CB-CE2 3.95Å; H21-Y46 HydrophobicContact CB-CE1 3.97Å; H21-Y46 AromaticContact ND1-CE2 3.95Å; H21-Y46 AromaticContact ND1-CZ 3.88Å; H21-W49 HydrophobicContact CB-CH2 4.32Å; H21-W49 AromaticContact CD2-CH2 3.63Å; H21-W49 AromaticContact CD2-CZ3 3.88Å; H21-W49 AromaticContact CG-CH2 3.92Å; H21-W49 AromaticContact NE2-CZ3 3.92Å; H21-E55 IonicContact CE1-OE1 2.9Å; H21-E55 IonicContact ND1-OE1 3.46Å; H21-E55 PolarHBondContact ND1-OE1 2.87Å
22G87.4Confident94.1Very high59 Ų5954.5 Ų54.561%0.60828%0.283SS*.THydrogen-bonded Turntrans57.5-141.1-162.300000111.5L24G22-L24 VanDerWaalsContact C-N 3.29Å; G22-L24 PolarHBondContact O-N 2.76Å
23P87.4Confident94.2Very high95 Ų9549.8 Ų49.862%0.61726%0.261SS*.THydrogen-bonded Turntrans-80.8-0.8-176.333.8-36000114.6
24L91.3Very high94.2Very high25 Ų2547.8 Ų47.813%0.13125%0.254CS..EExtended strand (participates in β ladder)trans-114.1148.8-173.6-66.4-180000112.1F20 H21 G22 Y26 L76 Q77 N80F20-L24 WeakPolarHBondContact CA-O 3.4Å; H21-L24 PolarHBondContact N-O 3.02Å; G22-L24 VanDerWaalsContact C-N 3.29Å; G22-L24 PolarHBondContact O-N 2.76Å; L24-Y26 HydrophobicContact CB-CD2 4.44Å; L24-Y26 HydrophobicContact CB-CE2 3.67Å; L24-L76 HydrophobicContact CD2-CB 3.98Å; L24-L76 WeakPolarHBondContact CD2-O 3.44Å; L24-Q77 HydrophobicContact CD2-CG 4.42Å; L24-N80 HydrophobicContact CD2-CB 4.19Å
25L94.4Very high94.3Very high0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-87.4132.2167.8-76.3169.8000110L18 F20 L63 K72 Q73 L76L18-L25 HydrophobicContact CB-CD2 4.25Å; F20-L25 HydrophobicContact CB-CD2 4.48Å; F20-L25 HydrophobicContact CD1-CD2 3.82Å; F20-L25 HydrophobicContact CD1-CG 3.99Å; F20-L25 HydrophobicContact CD2-CD2 3.58Å; F20-L25 HydrophobicContact CD2-CG 4.48Å; F20-L25 HydrophobicContact CE1-CD1 4.44Å; F20-L25 HydrophobicContact CE1-CD2 3.87Å; F20-L25 HydrophobicContact CE1-CG 3.72Å; F20-L25 HydrophobicContact CE2-CD2 3.64Å; F20-L25 HydrophobicContact CE2-CG 4.26Å; F20-L25 HydrophobicContact CG-CD2 3.68Å; F20-L25 HydrophobicContact CG-CG 4.36Å; F20-L25 HydrophobicContact CZ-CD1 4.21Å; F20-L25 HydrophobicContact CZ-CD2 3.78Å; F20-L25 HydrophobicContact CZ-CG 3.86Å; L25-L63 HydrophobicContact CD1-CD1 3.85Å; L25-L63 HydrophobicContact CD2-CD1 3.9Å; L25-L63 HydrophobicContact CD2-CG 4.45Å; L25-K72 HydrophobicContact CD1-CB 4.43Å; L25-K72 HydrophobicContact CD1-CD 4.42Å; L25-K72 HydrophobicContact CD1-CG 4.24Å; L25-Q73 HydrophobicContact CB-CB 3.96Å; L25-Q73 HydrophobicContact CB-CG 4.01Å; L25-Q73 HydrophobicContact CD1-CB 4.25Å; L25-Q73 WeakPolarHBondContact O-CG 3.27Å; L25-Q73 PolarHBondContact O-NE2 3.03Å; L25-L76 HydrophobicContact CD1-CD1 4.07Å; L25-L76 HydrophobicContact CG-CD1 4.08Å
26Y94.3Very high93.9Very high66 Ų6653.4 Ų53.426%0.25927%0.269SS..EExtended strand (participates in β ladder)trans-118.2150.1172.9-65-84.3000110.1L18 C19 H21 L24 W49L18-Y26 CarbonylContact C-O 3.56Å; L18-Y26 WeakPolarHBondContact CA-O 3.49Å; C19-Y26 PolarHBondContact N-O 2.87Å; C19-Y26 PolarHBondContact O-N 2.95Å; H21-Y26 HydrophobicContact CB-CD2 3.78Å; H21-Y26 HydrophobicContact CB-CE2 3.95Å; L24-Y26 HydrophobicContact CB-CD2 4.44Å; L24-Y26 HydrophobicContact CB-CE2 3.67Å; Y26-W49 AromaticContact CD1-CZ2 3.78Å; Y26-W49 HydrophobicContact CD1-CZ2 3.78Å; Y26-W49 HydrophobicContact CD2-CH2 4.5Å; Y26-W49 HydrophobicContact CD2-CZ2 4.11Å; Y26-W49 AromaticContact CE1-CZ2 3.71Å; Y26-W49 HydrophobicContact CE1-CZ2 3.71Å; Y26-W49 HydrophobicContact CE2-CH2 4.29Å; Y26-W49 HydrophobicContact CE2-CZ2 4.04Å; Y26-W49 AromaticContact CG-CZ2 3.97Å; Y26-W49 HydrophobicContact CG-CZ2 3.97Å; Y26-W49 AromaticContact CZ-CZ2 3.84Å
27E95.4Very high93.2Very high60 Ų6053.9 Ų53.928%0.2828%0.281SS..EExtended strand (participates in β ladder)trans-68.6136.1167.8-171.1-176.5140.100109.6R16 L18 S47 Y65R16-E27 HydrophobicContact CG-CG 4.47Å; R16-E27 IonicContact CZ-OE1 2.65Å; R16-E27 VanDerWaalsContact CZ-OE1 3.3Å; R16-E27 IonicContact CZ-OE2 2.79Å; R16-E27 VanDerWaalsContact NE-CD 3.27Å; R16-E27 IonicContact NE-OE1 3.02Å; R16-E27 PolarHBondContact NE-OE1 3.15Å; R16-E27 IonicContact NE-OE2 2.71Å; R16-E27 IonicContact NH2-OE1 3.3Å; R16-E27 PolarHBondContact NH2-OE1 2.65Å; R16-E27 IonicContact NH2-OE2 3.54Å; R16-E27 PolarHBondContact NH2-OE2 3.17Å; L18-E27 HydrophobicContact CD2-CB 4.48Å; E27-S47 WeakPolarHBondContact O-CB 3.43Å; E27-S47 PolarHBondContact O-N 3.46Å; E27-Y65 HydrophobicContact CG-CD2 4.32Å; E27-Y65 HydrophobicContact CG-CE2 4.02Å
28A97.5Very high92.6Very high1 Ų160.3 Ų60.31%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-151171.1-178.600000111.7V17 C19 I44 H45 Y46V17-A28 HydrophobicContact CG2-CB 4.28Å; V17-A28 WeakPolarHBondContact CG2-O 3.41Å; V17-A28 PolarHBondContact N-O 3.01Å; V17-A28 PolarHBondContact O-N 3.48Å; C19-A28 HydrophobicContact CB-CB 3.97Å; A28-I44 HydrophobicContact CB-CG2 3.45Å; A28-I44 VanDerWaalsContact CB-CG2 3.45Å; A28-H45 CarbonylContact C-O 3.6Å; A28-H45 VanDerWaalsContact CA-O 3.28Å; A28-H45 WeakPolarHBondContact CA-O 3.24Å; A28-H45 WeakPolarHBondContact CB-O 3.41Å; A28-Y46 HydrophobicContact CB-CD1 3.93Å; A28-Y46 HydrophobicContact CB-CE1 4.46Å; A28-Y46 HydrophobicContact CB-CG 4.5Å
29K96.9Very high92.1Very high106 Ų10663.5 Ų63.546%0.46132%0.324SS..EExtended strand (participates in β ladder)trans-117.4132.7174.9-172.6170.4-177.9174.70109.8G14 V31 H45G14-K29 WeakPolarHBondContact O-CE 3.32Å; K29-V31 PolarHBondContact O-N 3.03Å; K29-H45 PolarHBondContact N-O 2.8Å; K29-H45 PolarHBondContact O-N 2.9Å; K29-H45 VanDerWaalsContact O-N 3.09Å
30C96.9Very high91.9Very high0 Ų064.4 Ų64.40%033%0.328CS..EExtended strand (participates in β ladder)trans-68.9115163.5-179.20000108.3Q12 G14 E15Q12-C30 WeakPolarHBondContact O-CB 3.33Å; Q12-C30 PolarHBondContact O-SG 3.4Å; G14-C30 WeakPolarHBondContact CA-O 3.5Å; G14-C30 PolarHBondContact N-O 3.22Å; E15-C30 HydrophobicContact CB-CB 4.5Å; E15-C30 PolarHBondContact O-N 3.33Å
31V96.2Very high92Very high56 Ų5665.9 Ų65.934%0.33934%0.335SS..EExtended strand (participates in β ladder)trans-98.8-38.9-177.2-174.80000111.4K29 F43 H45K29-V31 PolarHBondContact O-N 3.03Å; V31-F43 HydrophobicContact CB-CD1 4.04Å; V31-F43 HydrophobicContact CG1-CD1 4.23Å; V31-F43 PolarHBondContact N-O 2.87Å; V31-H45 HydrophobicContact CG2-CB 3.54Å
32K95.4Very high92.4Very high119 Ų11963.5 Ų63.552%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-144.9154.9176.3-60.9-172.5178.4-177.30112.2E13 Y42 F43 W56E13-K32 WeakPolarHBondContact OE1-CA 3.36Å; K32-Y42 CarbonylContact O-C 3.54Å; K32-Y42 WeakPolarHBondContact O-CA 3.17Å; K32-F43 HydrophobicContact CB-CB 3.85Å; K32-F43 PolarHBondContact N-O 2.86Å; K32-F43 PolarHBondContact O-N 2.88Å; K32-W56 HydrophobicContact CB-CH2 3.62Å; K32-W56 HydrophobicContact CB-CZ2 4.26Å; K32-W56 HydrophobicContact CB-CZ3 4.33Å
33I96.3Very high92.9Very high43 Ų4363 Ų6322%0.22131%0.305CS..EExtended strand (participates in β ladder)trans-112.8139171.3-56.8168.9000109.1P9 F11 E13 I35 I40 Y42P9-I33 HydrophobicContact CB-CD1 4.22Å; P9-I33 HydrophobicContact CB-CG2 4.14Å; P9-I33 HydrophobicContact CG-CD1 4.2Å; P9-I33 HydrophobicContact CG-CG2 4.42Å; F11-I33 VanDerWaalsContact O-CD1 3.23Å; F11-I33 WeakPolarHBondContact O-CD1 3.27Å; E13-I33 HydrophobicContact CG-CB 4.4Å; E13-I33 HydrophobicContact CG-CD1 3.94Å; E13-I33 HydrophobicContact CG-CG1 3.75Å; E13-I33 PolarHBondContact OE1-N 3.45Å; I33-I35 HydrophobicContact CG2-CD1 4.37Å; I33-I35 HydrophobicContact CG2-CG1 3.98Å; I33-I40 HydrophobicContact CG2-CG2 4.27Å; I33-Y42 HydrophobicContact CD1-CE1 4.27Å; I33-Y42 HydrophobicContact CG1-CD1 3.86Å; I33-Y42 HydrophobicContact CG1-CE1 3.85Å; I33-Y42 HydrophobicContact CG2-CE1 4.26Å
34N93.5Very high93.4Very high72 Ų7258.4 Ų58.439%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-128.5128.1170-169.3-59.6000108.9I40 K41 W56N34-I40 WeakPolarHBondContact O-CA 3.26Å; N34-K41 PolarHBondContact N-O 3.21Å; N34-K41 PolarHBondContact O-N 3.23Å; N34-W56 HydrophobicContact CB-CE3 4.11Å; N34-W56 HydrophobicContact CB-CH2 3.66Å; N34-W56 HydrophobicContact CB-CZ3 3.43Å; N34-W56 VanDerWaalsContact CB-CZ3 3.43Å
35I92.4Very high93.6Very high74 Ų7459.7 Ų59.738%0.37928%0.281SS..EExtended strand (participates in β ladder)trans-121.8107.9176-48.4178.8000106.6P7 P9 I33 Q39 I40P7-I35 HydrophobicContact CG-CG2 4.2Å; P9-I35 HydrophobicContact CG-CD1 4.3Å; I33-I35 HydrophobicContact CG2-CD1 4.37Å; I33-I35 HydrophobicContact CG2-CG1 3.98Å; I35-Q39 WeakPolarHBondContact CA-O 3.42Å; I35-I40 HydrophobicContact CG1-CG1 4.29Å; I35-I40 HydrophobicContact CG1-CG2 4.47Å; I35-I40 HydrophobicContact CG2-CG1 4.31Å
36K87.3Confident93.7Very high128 Ų12859.7 Ų59.756%0.55728%0.281SS*.EExtended strand (participates in β ladder)trans-141.5136.2-178.3-166.6-174.4178.4-81.90109.3K38 Q39K36-K38 PolarHBondContact O-N 3.09Å; K36-Q39 PolarHBondContact N-O 3.31Å; K36-Q39 VanDerWaalsContact N-O 3.1Å; K36-Q39 PolarHBondContact O-N 2.79Å
37D83.9Confident93.6Very high132 Ų13259.1 Ų59.171%0.70629%0.286SS*.THydrogen-bonded Turntrans54.825179.4-50.6-42.4000113.4Q39D37-Q39 PolarHBondContact O-N 3.38Å
38K83.3Confident93.3Very high134 Ų13460.2 Ų60.258%0.58331%0.314SS*.THydrogen-bonded Turntrans65.79.6-171.5-55.7171.7-174.6163.90116.2P7 K36P7-K38 HydrophobicContact CG-CB 4.12Å; P7-K38 WeakPolarHBondContact CG-O 3.41Å; K36-K38 PolarHBondContact O-N 3.09Å
39Q86.3Confident93Very high67 Ų6763.8 Ų63.831%0.31333%0.327SS..EExtended strand (participates in β ladder)trans-83.3133.9161.5-63.5-172.5-10.900109.2I35 K36 D37 E147I35-Q39 WeakPolarHBondContact CA-O 3.42Å; K36-Q39 PolarHBondContact N-O 3.31Å; K36-Q39 VanDerWaalsContact N-O 3.1Å; K36-Q39 PolarHBondContact O-N 2.79Å; D37-Q39 PolarHBondContact O-N 3.38Å; Q39-E147 PolarHBondContact NE2-OE1 3.04Å; Q39-E147 PolarHBondContact NE2-OE2 3.01Å
40I92.3Very high92.5Very high19 Ų1963.9 Ų63.910%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-99.4126.2169.2-56.7156.9000108.1P7 P9 I33 N34 I35 Y42 E59P7-I40 HydrophobicContact CB-CD1 3.87Å; P7-I40 HydrophobicContact CB-CG1 4.35Å; P7-I40 HydrophobicContact CG-CD1 4.18Å; P7-I40 HydrophobicContact CG-CG1 4.09Å; P9-I40 HydrophobicContact CB-CG2 4.18Å; I33-I40 HydrophobicContact CG2-CG2 4.27Å; N34-I40 WeakPolarHBondContact O-CA 3.26Å; I35-I40 HydrophobicContact CG1-CG1 4.29Å; I35-I40 HydrophobicContact CG1-CG2 4.47Å; I35-I40 HydrophobicContact CG2-CG1 4.31Å; I40-Y42 HydrophobicContact CG2-CD2 4.37Å; I40-Y42 HydrophobicContact CG2-CE1 4.16Å; I40-Y42 HydrophobicContact CG2-CE2 3.6Å; I40-Y42 VanDerWaalsContact CG2-CZ 3.49Å; I40-E59 PolarHBondContact O-N 2.56Å
41K95Very high92.2Very high77 Ų7771.4 Ų71.434%0.33537%0.365SS..EExtended strand (participates in β ladder)trans-125.5144.3175-64.1179.5-175.5172.10109.8N34 W56 V57N34-K41 PolarHBondContact N-O 3.21Å; N34-K41 PolarHBondContact O-N 3.23Å; K41-W56 HydrophobicContact CB-CE3 4.09Å; K41-V57 CarbonylContact C-O 3.57Å; K41-V57 VanDerWaalsContact CA-O 3.25Å; K41-V57 WeakPolarHBondContact CA-O 3.46Å
42Y96.9Very high91.9Very high0 Ų074.2 Ų74.20%038%0.378CS..EExtended strand (participates in β ladder)trans-116.8131.9-178.8-61.1-82.8000109.2P9 K10 F11 K32 I33 I40 W56 V57 E59 V62P9-Y42 WeakPolarHBondContact CA-OH 3.36Å; P9-Y42 HydrophobicContact CB-CE1 4.15Å; P9-Y42 VanDerWaalsContact CB-OH 3.26Å; P9-Y42 WeakPolarHBondContact CB-OH 3.36Å; K10-Y42 PolarHBondContact N-OH 3.17Å; F11-Y42 HydrophobicContact CB-CD1 4.34Å; F11-Y42 HydrophobicContact CB-CE1 3.78Å; F11-Y42 HydrophobicContact CD2-CD2 4.49Å; F11-Y42 HydrophobicContact CD2-CE1 4.09Å; F11-Y42 AromaticContact CD2-CE2 3.9Å; F11-Y42 HydrophobicContact CD2-CE2 3.9Å; F11-Y42 AromaticContact CD2-CZ 3.66Å; F11-Y42 HydrophobicContact CG-CE1 4.44Å; F11-Y42 PolarHBondContact N-OH 3.32Å; K32-Y42 CarbonylContact O-C 3.54Å; K32-Y42 WeakPolarHBondContact O-CA 3.17Å; I33-Y42 HydrophobicContact CD1-CE1 4.27Å; I33-Y42 HydrophobicContact CG1-CD1 3.86Å; I33-Y42 HydrophobicContact CG1-CE1 3.85Å; I33-Y42 HydrophobicContact CG2-CE1 4.26Å; I40-Y42 HydrophobicContact CG2-CD2 4.37Å; I40-Y42 HydrophobicContact CG2-CE1 4.16Å; I40-Y42 HydrophobicContact CG2-CE2 3.6Å; I40-Y42 VanDerWaalsContact CG2-CZ 3.49Å; Y42-W56 VanDerWaalsContact C-CE3 3.48Å; Y42-W56 CarbonylContact O-C 3.55Å; Y42-W56 WeakPolarHBondContact O-CA 3.45Å; Y42-V57 PolarHBondContact N-O 2.91Å; Y42-V57 PolarHBondContact O-N 3.27Å; Y42-E59 HydrophobicContact CD2-CB 4.4Å; Y42-E59 HydrophobicContact CE2-CB 3.75Å; Y42-E59 HydrophobicContact CE2-CG 3.74Å; Y42-E59 WeakPolarHBondContact CE2-OE1 3.25Å; Y42-E59 PolarHBondContact OH-OE1 3.14Å; Y42-V62 HydrophobicContact CD2-CG2 4.1Å; Y42-V62 HydrophobicContact CG-CG2 4.46Å
43F97.4Very high91.6Very high48 Ų4874.8 Ų74.821%0.21138%0.377CS..EExtended strand (participates in β ladder)trans-83.8118169.8-164.5-119.2000107.9V31 K32 D54 E55 W56V31-F43 HydrophobicContact CB-CD1 4.04Å; V31-F43 HydrophobicContact CG1-CD1 4.23Å; V31-F43 PolarHBondContact N-O 2.87Å; K32-F43 HydrophobicContact CB-CB 3.85Å; K32-F43 PolarHBondContact N-O 2.86Å; K32-F43 PolarHBondContact O-N 2.88Å; F43-D54 HydrophobicContact CE1-CB 3.81Å; F43-D54 HydrophobicContact CE2-CB 4.15Å; F43-D54 WeakPolarHBondContact CE2-O 3.34Å; F43-D54 HydrophobicContact CZ-CB 3.45Å; F43-D54 VanDerWaalsContact CZ-CB 3.45Å; F43-E55 WeakPolarHBondContact CA-O 3.44Å; F43-W56 HydrophobicContact CB-CD2 3.86Å; F43-W56 HydrophobicContact CB-CE3 3.8Å; F43-W56 HydrophobicContact CB-CH2 3.82Å; F43-W56 HydrophobicContact CB-CZ2 3.88Å; F43-W56 HydrophobicContact CB-CZ3 3.77Å; F43-W56 AromaticContact CD2-CD1 3.6Å; F43-W56 AromaticContact CD2-CD2 3.82Å; F43-W56 HydrophobicContact CD2-CD2 3.82Å; F43-W56 AromaticContact CD2-CE2 3.71Å; F43-W56 AromaticContact CD2-CG 3.78Å; F43-W56 HydrophobicContact CD2-CG 3.78Å; F43-W56 HydrophobicContact CD2-CZ2 4.38Å; F43-W56 AromaticContact CD2-NE1 3.54Å; F43-W56 HydrophobicContact CG-CD2 4.27Å; F43-W56 HydrophobicContact CG-CZ2 4.29Å; F43-W56 VanDerWaalsContact N-CE3 3.31Å
44I98.2Very high91.5Very high0 Ų074.4 Ų74.40%038%0.376CS..EExtended strand (participates in β ladder)trans-111.9130.7-170.2-60.9-59.3000110V17 C19 A28 Y46 D54 E55 V57 V62V17-I44 HydrophobicContact CG2-CD1 4.29Å; C19-I44 HydrophobicContact CB-CG2 3.87Å; A28-I44 HydrophobicContact CB-CG2 3.45Å; A28-I44 VanDerWaalsContact CB-CG2 3.45Å; I44-Y46 HydrophobicContact CG2-CD1 4.39Å; I44-Y46 HydrophobicContact CG2-CE1 4.17Å; I44-Y46 HydrophobicContact CG2-CE2 4.36Å; I44-D54 VanDerWaalsContact O-CA 3.28Å; I44-D54 WeakPolarHBondContact O-CA 3.26Å; I44-E55 PolarHBondContact N-O 2.94Å; I44-E55 PolarHBondContact O-N 3.28Å; I44-V57 HydrophobicContact CD1-CG2 4.38Å; I44-V57 HydrophobicContact CG1-CG1 4.19Å; I44-V57 HydrophobicContact CG1-CG2 3.55Å; I44-V62 HydrophobicContact CD1-CG2 4.05Å; I44-V62 HydrophobicContact CG1-CG2 4.39Å
45H96.6Very high91.7Very high52 Ų5273.2 Ų73.224%0.24137%0.368CS..EExtended strand (participates in β ladder)trans-108.7121.6166.6173.563.2000109.4A28 K29 V31 D54A28-H45 CarbonylContact C-O 3.6Å; A28-H45 VanDerWaalsContact CA-O 3.28Å; A28-H45 WeakPolarHBondContact CA-O 3.24Å; A28-H45 WeakPolarHBondContact CB-O 3.41Å; K29-H45 PolarHBondContact N-O 2.8Å; K29-H45 PolarHBondContact O-N 2.9Å; K29-H45 VanDerWaalsContact O-N 3.09Å; V31-H45 HydrophobicContact CG2-CB 3.54Å; H45-D54 WeakPolarHBondContact CA-OD1 3.47Å; H45-D54 IonicContact CE1-OD1 3.74Å; H45-D54 IonicContact CG-OD1 3.78Å; H45-D54 IonicContact ND1-OD1 3.87Å; H45-D54 PolarHBondContact ND1-OD1 3.16Å; H45-D54 IonicContact ND1-OD2 2.79Å; H45-D54 PolarHBondContact ND1-OD2 2.98Å
46Y95.6Very high91.9Very high0 Ų075.1 Ų75.10%037%0.37CS..EExtended strand (participates in β ladder)trans-81.1131.8-178.6-63.8-82.2000111.7C19 F20 H21 A28 I44 G48 W49 E55 R61C19-Y46 HydrophobicContact CB-CD1 4.47Å; C19-Y46 HydrophobicContact CB-CE1 3.71Å; C19-Y46 PolarHBondContact SG-OH 2.71Å; C19-Y46 VanDerWaalsContact SG-OH 3.4Å; F20-Y46 PolarHBondContact O-OH 3.4Å; H21-Y46 HydrophobicContact CB-CE1 3.97Å; H21-Y46 AromaticContact ND1-CE2 3.95Å; H21-Y46 AromaticContact ND1-CZ 3.88Å; A28-Y46 HydrophobicContact CB-CD1 3.93Å; A28-Y46 HydrophobicContact CB-CE1 4.46Å; A28-Y46 HydrophobicContact CB-CG 4.5Å; I44-Y46 HydrophobicContact CG2-CD1 4.39Å; I44-Y46 HydrophobicContact CG2-CE1 4.17Å; I44-Y46 HydrophobicContact CG2-CE2 4.36Å; Y46-G48 PolarHBondContact O-N 2.87Å; Y46-W49 HydrophobicContact CD2-CD2 4.49Å; Y46-W49 HydrophobicContact CD2-CE3 4.16Å; Y46-W49 HydrophobicContact CG-CD2 4.21Å; Y46-W49 HydrophobicContact CG-CE3 4.31Å; Y46-W49 HydrophobicContact CG-CG 4.49Å; Y46-W49 PolarHBondContact O-N 2.85Å; Y46-E55 HydrophobicContact CE2-CG 3.99Å; Y46-E55 VanDerWaalsContact CE2-OE1 3.3Å; Y46-E55 WeakPolarHBondContact CE2-OE1 3.5Å; Y46-E55 PolarHBondContact OH-OE1 2.85Å; Y46-R61 PolarHBondContact OH-NH2 2.94Å
47S92.6Very high92.2Very high53 Ų5369 Ų6937%0.37134%0.344SS..THydrogen-bonded Turntrans-63.1117.6-175.4-67.70000111.2E27E27-S47 WeakPolarHBondContact O-CB 3.43Å; E27-S47 PolarHBondContact O-N 3.46Å
48G88.6Confident92.8Very high84 Ų8464.8 Ų64.887%0.86632%0.323SS*.THydrogen-bonded Turntrans84.45.5-178.800000115.1Y46Y46-G48 PolarHBondContact O-N 2.87Å
49W90.8Very high93.2Very high75 Ų7560 Ų6028%0.28430%0.303SS..SBendtrans-97.7161.8177.3-65.738.7000110.8H21 Y26 Y46 W53H21-W49 HydrophobicContact CB-CH2 4.32Å; H21-W49 AromaticContact CD2-CH2 3.63Å; H21-W49 AromaticContact CD2-CZ3 3.88Å; H21-W49 AromaticContact CG-CH2 3.92Å; H21-W49 AromaticContact NE2-CZ3 3.92Å; Y26-W49 AromaticContact CD1-CZ2 3.78Å; Y26-W49 HydrophobicContact CD1-CZ2 3.78Å; Y26-W49 HydrophobicContact CD2-CH2 4.5Å; Y26-W49 HydrophobicContact CD2-CZ2 4.11Å; Y26-W49 AromaticContact CE1-CZ2 3.71Å; Y26-W49 HydrophobicContact CE1-CZ2 3.71Å; Y26-W49 HydrophobicContact CE2-CH2 4.29Å; Y26-W49 HydrophobicContact CE2-CZ2 4.04Å; Y26-W49 AromaticContact CG-CZ2 3.97Å; Y26-W49 HydrophobicContact CG-CZ2 3.97Å; Y26-W49 AromaticContact CZ-CZ2 3.84Å; Y46-W49 HydrophobicContact CD2-CD2 4.49Å; Y46-W49 HydrophobicContact CD2-CE3 4.16Å; Y46-W49 HydrophobicContact CG-CD2 4.21Å; Y46-W49 HydrophobicContact CG-CE3 4.31Å; Y46-W49 HydrophobicContact CG-CG 4.49Å; Y46-W49 PolarHBondContact O-N 2.85Å; W49-W53 HydrophobicContact CE3-CB 3.86Å; W49-W53 HydrophobicContact CE3-CD2 4.2Å; W49-W53 AromaticContact CE3-CG 3.84Å; W49-W53 HydrophobicContact CE3-CG 3.84Å; W49-W53 HydrophobicContact CZ3-CD2 4.32Å; W49-W53 HydrophobicContact CZ3-CE3 4.34Å; W49-W53 HydrophobicContact CZ3-CG 4.41Å
50N87.9Confident93.5Very high108 Ų10859.7 Ų59.758%0.57831%0.308SS*.  trans-76.7144.4173.6-176-12.6000110.2N52 W53N50-N52 WeakPolarHBondContact CB-OD1 3.29Å; N50-N52 PolarHBondContact O-N 3.32Å; N50-N52 PolarHBondContact O-OD1 2.85Å; N50-N52 PolarHBondContact OD1-N 2.94Å; N50-N52 PolarHBondContact OD1-OD1 3.39Å; N50-W53 WeakPolarHBondContact O-CB 3.35Å; N50-W53 PolarHBondContact O-N 2.92Å
51K90.3Very high93.7Very high159 Ų15961.9 Ų61.969%0.69132%0.315SS*.G310 helixtrans-60.4-15.4-177.3-62.8-178.1-179.2178.20114.6W53 D54K51-W53 PolarHBondContact O-N 3.47Å; K51-D54 WeakPolarHBondContact CA-OD1 3.22Å; K51-D54 WeakPolarHBondContact O-CB 3.27Å; K51-D54 PolarHBondContact O-N 2.82Å; K51-D54 VanDerWaalsContact O-N 3.11Å
52N89.8Confident93.7Very high114 Ų11458.5 Ų58.561%0.6130%0.301SS*.G310 helixtrans-69.7-6.5171.169.6-34.1000113.6N50N50-N52 WeakPolarHBondContact CB-OD1 3.29Å; N50-N52 PolarHBondContact O-N 3.32Å; N50-N52 PolarHBondContact O-OD1 2.85Å; N50-N52 PolarHBondContact OD1-N 2.94Å; N50-N52 PolarHBondContact OD1-OD1 3.39Å
53W89.6Confident93.6Very high132 Ų13260.3 Ų60.350%0.531%0.311SS..G310 helixtrans-99.63169.1-60.595.2000113.5W49 N50 K51 E55W49-W53 HydrophobicContact CE3-CB 3.86Å; W49-W53 HydrophobicContact CE3-CD2 4.2Å; W49-W53 AromaticContact CE3-CG 3.84Å; W49-W53 HydrophobicContact CE3-CG 3.84Å; W49-W53 HydrophobicContact CZ3-CD2 4.32Å; W49-W53 HydrophobicContact CZ3-CE3 4.34Å; W49-W53 HydrophobicContact CZ3-CG 4.41Å; N50-W53 WeakPolarHBondContact O-CB 3.35Å; N50-W53 PolarHBondContact O-N 2.92Å; K51-W53 PolarHBondContact O-N 3.47Å; W53-E55 PolarHBondContact O-N 2.81Å
54D94.1Very high93.6Very high35 Ų3562.3 Ų62.319%0.18732%0.319CS..  trans-71.2122.2178.4-64.1-2.3000109.9F43 I44 H45 K51F43-D54 HydrophobicContact CE1-CB 3.81Å; F43-D54 HydrophobicContact CE2-CB 4.15Å; F43-D54 WeakPolarHBondContact CE2-O 3.34Å; F43-D54 HydrophobicContact CZ-CB 3.45Å; F43-D54 VanDerWaalsContact CZ-CB 3.45Å; I44-D54 VanDerWaalsContact O-CA 3.28Å; I44-D54 WeakPolarHBondContact O-CA 3.26Å; H45-D54 WeakPolarHBondContact CA-OD1 3.47Å; H45-D54 IonicContact CE1-OD1 3.74Å; H45-D54 IonicContact CG-OD1 3.78Å; H45-D54 IonicContact ND1-OD1 3.87Å; H45-D54 PolarHBondContact ND1-OD1 3.16Å; H45-D54 IonicContact ND1-OD2 2.79Å; H45-D54 PolarHBondContact ND1-OD2 2.98Å; K51-D54 WeakPolarHBondContact CA-OD1 3.22Å; K51-D54 WeakPolarHBondContact O-CB 3.27Å; K51-D54 PolarHBondContact O-N 2.82Å; K51-D54 VanDerWaalsContact O-N 3.11Å
55E97.1Very high93.3Very high46 Ų4666 Ų6622%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-134.1151.8-167.955.8170.7144.200113.4H21 F43 I44 Y46 W53 V57 R61H21-E55 IonicContact CE1-OE1 2.9Å; H21-E55 IonicContact ND1-OE1 3.46Å; H21-E55 PolarHBondContact ND1-OE1 2.87Å; F43-E55 WeakPolarHBondContact CA-O 3.44Å; I44-E55 PolarHBondContact N-O 2.94Å; I44-E55 PolarHBondContact O-N 3.28Å; Y46-E55 HydrophobicContact CE2-CG 3.99Å; Y46-E55 VanDerWaalsContact CE2-OE1 3.3Å; Y46-E55 WeakPolarHBondContact CE2-OE1 3.5Å; Y46-E55 PolarHBondContact OH-OE1 2.85Å; W53-E55 PolarHBondContact O-N 2.81Å; E55-V57 HydrophobicContact CG-CG1 3.7Å; E55-R61 IonicContact OE1-CZ 2.73Å; E55-R61 IonicContact OE1-NH1 3.46Å; E55-R61 IonicContact OE1-NH2 2.74Å; E55-R61 PolarHBondContact OE1-NH2 3.1Å; E55-R61 IonicContact OE2-CZ 2.92Å; E55-R61 IonicContact OE2-NH1 3.49Å; E55-R61 PolarHBondContact OE2-NH1 3.47Å; E55-R61 IonicContact OE2-NH2 3.52Å; E55-R61 PolarHBondContact OE2-NH2 3.31Å; E55-R61 VanDerWaalsContact OE2-NH2 3.1Å
56W97.1Very high93Very high115 Ų11566.5 Ų66.544%0.43634%0.34SS..EExtended strand (participates in β ladder)trans-85.8109.2170.2-76.7103.6000110.2K32 N34 K41 Y42 F43K32-W56 HydrophobicContact CB-CH2 3.62Å; K32-W56 HydrophobicContact CB-CZ2 4.26Å; K32-W56 HydrophobicContact CB-CZ3 4.33Å; N34-W56 HydrophobicContact CB-CE3 4.11Å; N34-W56 HydrophobicContact CB-CH2 3.66Å; N34-W56 HydrophobicContact CB-CZ3 3.43Å; N34-W56 VanDerWaalsContact CB-CZ3 3.43Å; K41-W56 HydrophobicContact CB-CE3 4.09Å; Y42-W56 VanDerWaalsContact C-CE3 3.48Å; Y42-W56 CarbonylContact O-C 3.55Å; Y42-W56 WeakPolarHBondContact O-CA 3.45Å; F43-W56 HydrophobicContact CB-CD2 3.86Å; F43-W56 HydrophobicContact CB-CE3 3.8Å; F43-W56 HydrophobicContact CB-CH2 3.82Å; F43-W56 HydrophobicContact CB-CZ2 3.88Å; F43-W56 HydrophobicContact CB-CZ3 3.77Å; F43-W56 AromaticContact CD2-CD1 3.6Å; F43-W56 AromaticContact CD2-CD2 3.82Å; F43-W56 HydrophobicContact CD2-CD2 3.82Å; F43-W56 AromaticContact CD2-CE2 3.71Å; F43-W56 AromaticContact CD2-CG 3.78Å; F43-W56 HydrophobicContact CD2-CG 3.78Å; F43-W56 HydrophobicContact CD2-CZ2 4.38Å; F43-W56 AromaticContact CD2-NE1 3.54Å; F43-W56 HydrophobicContact CG-CD2 4.27Å; F43-W56 HydrophobicContact CG-CZ2 4.29Å; F43-W56 VanDerWaalsContact N-CE3 3.31Å
57V93.8Very high92.8Very high0 Ų073 Ų730%038%0.375CS..EExtended strand (participates in β ladder)trans-107.1149.2-179.3-46.50000111.8K41 Y42 I44 E55 R61 V62K41-V57 CarbonylContact C-O 3.57Å; K41-V57 VanDerWaalsContact CA-O 3.25Å; K41-V57 WeakPolarHBondContact CA-O 3.46Å; Y42-V57 PolarHBondContact N-O 2.91Å; Y42-V57 PolarHBondContact O-N 3.27Å; I44-V57 HydrophobicContact CD1-CG2 4.38Å; I44-V57 HydrophobicContact CG1-CG1 4.19Å; I44-V57 HydrophobicContact CG1-CG2 3.55Å; E55-V57 HydrophobicContact CG-CG1 3.7Å; V57-R61 HydrophobicContact CB-CB 4.07Å; V57-R61 HydrophobicContact CG2-CB 4.11Å; V57-V62 HydrophobicContact CG2-CG2 3.44Å; V57-V62 VanDerWaalsContact CG2-CG2 3.44Å
58P95.2Very high92.7Very high42 Ų4274.4 Ų74.427%0.27339%0.385SS..EExtended strand (participates in β ladder)trans-67.9156.6167.231.1-36.7000111.4S60 R61P58-S60 PolarHBondContact O-N 2.83Å; P58-R61 HydrophobicContact CG-CG 4.45Å; P58-R61 PolarHBondContact O-N 2.87Å
59E91.4Very high92.9Very high33 Ų3372 Ų7215%0.15435%0.352CS..G310 helixtrans-53.1-30.5-179.6-171.8160.1-99.800114.5K10 F11 I40 Y42 R61 V62K10-E59 WeakPolarHBondContact CB-OE1 3.48Å; K10-E59 HydrophobicContact CD-CG 4.07Å; K10-E59 WeakPolarHBondContact CD-OE2 3.23Å; K10-E59 VanDerWaalsContact CE-OE2 3.27Å; K10-E59 WeakPolarHBondContact CE-OE2 3.33Å; K10-E59 WeakPolarHBondContact CG-OE1 3.43Å; K10-E59 PolarHBondContact N-OE1 2.81Å; K10-E59 IonicContact NZ-OE2 3.85Å; K10-E59 PolarHBondContact NZ-OE2 3.37Å; F11-E59 HydrophobicContact CE2-CG 4.35Å; I40-E59 PolarHBondContact O-N 2.56Å; Y42-E59 HydrophobicContact CD2-CB 4.4Å; Y42-E59 HydrophobicContact CE2-CB 3.75Å; Y42-E59 HydrophobicContact CE2-CG 3.74Å; Y42-E59 WeakPolarHBondContact CE2-OE1 3.25Å; Y42-E59 PolarHBondContact OH-OE1 3.14Å; E59-R61 PolarHBondContact O-N 3Å; E59-V62 PolarHBondContact O-N 3.4Å; E59-V62 VanDerWaalsContact O-N 3.14Å
60S93.6Very high92.8Very high61 Ų6169.6 Ų69.643%0.42735%0.345SS..G310 helixtrans-63.8-22.9178.354.30000114.7P58P58-S60 PolarHBondContact O-N 2.83Å
61R95.7Very high92.9Very high65 Ų6569.8 Ų69.825%0.24534%0.342CS..G310 helixtrans-82.9-9.9176-78.7179.962.6-163.9-3.1113.6C19 F20 Y46 E55 V57 P58 E59C19-R61 WeakPolarHBondContact CA-O 3.39Å; F20-R61 HydrophobicContact CB-CB 4.42Å; F20-R61 HydrophobicContact CB-CG 4.35Å; F20-R61 PolarHBondContact N-O 3.48Å; F20-R61 VanDerWaalsContact O-CZ 3.28Å; F20-R61 PolarHBondContact O-NE 2.89Å; F20-R61 PolarHBondContact O-NH2 3.09Å; Y46-R61 PolarHBondContact OH-NH2 2.94Å; E55-R61 IonicContact OE1-CZ 2.73Å; E55-R61 IonicContact OE1-NH1 3.46Å; E55-R61 IonicContact OE1-NH2 2.74Å; E55-R61 PolarHBondContact OE1-NH2 3.1Å; E55-R61 IonicContact OE2-CZ 2.92Å; E55-R61 IonicContact OE2-NH1 3.49Å; E55-R61 PolarHBondContact OE2-NH1 3.47Å; E55-R61 IonicContact OE2-NH2 3.52Å; E55-R61 PolarHBondContact OE2-NH2 3.31Å; E55-R61 VanDerWaalsContact OE2-NH2 3.1Å; V57-R61 HydrophobicContact CB-CB 4.07Å; V57-R61 HydrophobicContact CG2-CB 4.11Å; P58-R61 HydrophobicContact CG-CG 4.45Å; P58-R61 PolarHBondContact O-N 2.87Å; E59-R61 PolarHBondContact O-N 3Å
62V96.3Very high92.8Very high6 Ų666.4 Ų66.44%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-110.2130-173.8-166.70000110.8F11 V17 Y42 I44 V57 E59F11-V62 HydrophobicContact CD1-CG1 4.18Å; F11-V62 HydrophobicContact CD2-CB 4.17Å; F11-V62 HydrophobicContact CD2-CG1 3.87Å; F11-V62 HydrophobicContact CE1-CG1 3.93Å; F11-V62 HydrophobicContact CE2-CB 3.67Å; F11-V62 HydrophobicContact CE2-CG1 3.64Å; F11-V62 HydrophobicContact CG-CG1 4.15Å; F11-V62 HydrophobicContact CZ-CB 3.98Å; F11-V62 HydrophobicContact CZ-CG1 3.67Å; F11-V62 VanDerWaalsContact CZ-O 3.28Å; F11-V62 WeakPolarHBondContact CZ-O 3.28Å; V17-V62 HydrophobicContact CB-CG1 3.69Å; V17-V62 HydrophobicContact CG1-CG1 3.84Å; V17-V62 HydrophobicContact CG2-CG1 3.85Å; Y42-V62 HydrophobicContact CD2-CG2 4.1Å; Y42-V62 HydrophobicContact CG-CG2 4.46Å; I44-V62 HydrophobicContact CD1-CG2 4.05Å; I44-V62 HydrophobicContact CG1-CG2 4.39Å; V57-V62 HydrophobicContact CG2-CG2 3.44Å; V57-V62 VanDerWaalsContact CG2-CG2 3.44Å; E59-V62 PolarHBondContact O-N 3.4Å; E59-V62 VanDerWaalsContact O-N 3.14Å
63L94.7Very high92.9Very high38 Ų3862.2 Ų62.220%0.19931%0.305CS..EExtended strand (participates in β ladder)trans-122.1148.9177.3-60.9-178.1000110.3L18 F20 L25 N69L18-L63 HydrophobicContact CB-CB 4.34Å; L18-L63 PolarHBondContact N-O 3.47Å; L18-L63 PolarHBondContact O-N 2.8Å; F20-L63 HydrophobicContact CE2-CD1 3.94Å; F20-L63 HydrophobicContact CE2-CG 4.38Å; F20-L63 HydrophobicContact CZ-CD1 4.48Å; L25-L63 HydrophobicContact CD1-CD1 3.85Å; L25-L63 HydrophobicContact CD2-CD1 3.9Å; L25-L63 HydrophobicContact CD2-CG 4.45Å; L63-N69 HydrophobicContact CB-CB 4.39Å; L63-N69 HydrophobicContact CD1-CB 4.41Å
64K96.2Very high92.9Very high90 Ų9061.9 Ų61.939%0.39131%0.306SS..EExtended strand (participates in β ladder)trans-66.1142.3174.7-76.6-171.7176.8-750110.5K10 F11 E15 V66 N69K10-K64 PolarHBondContact O-NZ 2.89Å; K10-K64 VanDerWaalsContact O-NZ 3.15Å; F11-K64 HydrophobicContact CD1-CG 4.08Å; F11-K64 HydrophobicContact CE1-CB 4.26Å; F11-K64 HydrophobicContact CE1-CG 3.44Å; F11-K64 VanDerWaalsContact CE1-CG 3.44Å; F11-K64 HydrophobicContact CZ-CG 4.29Å; E15-K64 IonicContact OE1-NZ 3.56Å; E15-K64 PolarHBondContact OE1-NZ 2.79Å; E15-K64 IonicContact OE2-NZ 2.9Å; K64-V66 VanDerWaalsContact C-N 3.32Å; K64-V66 HydrophobicContact CB-CG1 4.25Å; K64-V66 HydrophobicContact CB-CG2 4.39Å; K64-V66 PolarHBondContact O-N 3.04Å; K64-N69 WeakPolarHBondContact O-CB 3.35Å; K64-N69 PolarHBondContact O-ND2 2.92Å
65Y92.9Very high92.8Very high77 Ų7766.3 Ų66.330%0.30233%0.326SS..SBendtrans-72.487.9171.7-166.5-77.9000109R16 L18 E27 L70R16-Y65 HydrophobicContact CG-CD2 3.98Å; R16-Y65 HydrophobicContact CG-CG 4.25Å; R16-Y65 VanDerWaalsContact CZ-CE2 3.49Å; R16-Y65 VanDerWaalsContact NH1-CZ 3.32Å; R16-Y65 PolarHBondContact NH1-OH 2.86Å; R16-Y65 PolarHBondContact NH2-OH 3.06Å; R16-Y65 VanDerWaalsContact NH2-OH 3.17Å; R16-Y65 WeakPolarHBondContact O-CB 3.43Å; L18-Y65 HydrophobicContact CD2-CD2 4.08Å; L18-Y65 HydrophobicContact CD2-CE2 4.31Å; L18-Y65 HydrophobicContact CG-CD2 4.12Å; E27-Y65 HydrophobicContact CG-CD2 4.32Å; E27-Y65 HydrophobicContact CG-CE2 4.02Å; Y65-L70 HydrophobicContact CD1-CD1 4.3Å; Y65-L70 HydrophobicContact CD2-CD2 4.36Å; Y65-L70 HydrophobicContact CE1-CD1 3.75Å; Y65-L70 HydrophobicContact CE1-CD2 4.31Å; Y65-L70 HydrophobicContact CE1-CG 4.48Å; Y65-L70 HydrophobicContact CE2-CD2 3.81Å
66V90.8Very high92.2Very high63 Ų6366.4 Ų66.438%0.38233%0.328SS..SBendtrans-142.4157.5179.7-66.40000109.9K64 S68 N69 L70K64-V66 VanDerWaalsContact C-N 3.32Å; K64-V66 HydrophobicContact CB-CG1 4.25Å; K64-V66 HydrophobicContact CB-CG2 4.39Å; K64-V66 PolarHBondContact O-N 3.04Å; V66-S68 VanDerWaalsContact C-N 3.3Å; V66-S68 PolarHBondContact O-N 3.12Å; V66-S68 VanDerWaalsContact O-N 3.17Å; V66-N69 HydrophobicContact CG2-CB 4.32Å; V66-N69 WeakPolarHBondContact CG2-ND2 3.42Å; V66-N69 PolarHBondContact O-N 3.01Å; V66-L70 PolarHBondContact O-N 3.18Å
67D89.6Confident91.7Very high136 Ų13664.9 Ų64.973%0.72733%0.326SS*.Hα-helixtrans-57.8-35.3-168.3-58.2-66000114.7N69 L70 Q71D67-N69 PolarHBondContact O-N 3.18Å; D67-L70 PolarHBondContact O-N 3.11Å; D67-Q71 WeakPolarHBondContact O-CB 3.28Å; D67-Q71 PolarHBondContact O-N 3.05Å
68S92.4Very high91.3Very high84 Ų8472.8 Ų72.859%0.58736%0.355SS*.Hα-helixtrans-64-38.3175.4530000112.9V66 K72V66-S68 VanDerWaalsContact C-N 3.3Å; V66-S68 PolarHBondContact O-N 3.12Å; V66-S68 VanDerWaalsContact O-N 3.17Å; S68-K72 PolarHBondContact O-N 3.3Å
69N90.9Very high90.6Very high33 Ų3373.3 Ų73.318%0.17636%0.364CS..Hα-helixtrans-79.8-30.2177.2-64.9-34000111.9L18 L63 K64 V66 D67 K72 Q73L18-N69 HydrophobicContact CD1-CB 3.62Å; L63-N69 HydrophobicContact CB-CB 4.39Å; L63-N69 HydrophobicContact CD1-CB 4.41Å; K64-N69 WeakPolarHBondContact O-CB 3.35Å; K64-N69 PolarHBondContact O-ND2 2.92Å; V66-N69 HydrophobicContact CG2-CB 4.32Å; V66-N69 WeakPolarHBondContact CG2-ND2 3.42Å; V66-N69 PolarHBondContact O-N 3.01Å; D67-N69 PolarHBondContact O-N 3.18Å; N69-K72 PolarHBondContact O-N 2.88Å; N69-Q73 PolarHBondContact O-N 2.84Å
70L88.8Confident89.9Confident25 Ų2575.5 Ų75.513%0.13138%0.376CS..Hα-helixtrans-67.2-36.7169.5-70.1169.3000111.6L18 Y65 V66 D67 Q73 K74L18-L70 HydrophobicContact CD1-CD2 3.96Å; L18-L70 HydrophobicContact CD1-CG 4.18Å; L18-L70 HydrophobicContact CD2-CD2 4.1Å; Y65-L70 HydrophobicContact CD1-CD1 4.3Å; Y65-L70 HydrophobicContact CD2-CD2 4.36Å; Y65-L70 HydrophobicContact CE1-CD1 3.75Å; Y65-L70 HydrophobicContact CE1-CD2 4.31Å; Y65-L70 HydrophobicContact CE1-CG 4.48Å; Y65-L70 HydrophobicContact CE2-CD2 3.81Å; V66-L70 PolarHBondContact O-N 3.18Å; D67-L70 PolarHBondContact O-N 3.11Å; L70-Q73 WeakPolarHBondContact O-CB 3.48Å; L70-Q73 PolarHBondContact O-N 3.4Å; L70-K74 WeakPolarHBondContact O-CG 3.38Å; L70-K74 PolarHBondContact O-N 2.74Å
71Q90.3Very high88.9Confident111 Ų11178.8 Ų78.852%0.51939%0.385SS..Hα-helixtrans-67.2-42.3172.7-172.461.414.500110.9D67 Q73 K74 E75D67-Q71 WeakPolarHBondContact O-CB 3.28Å; D67-Q71 PolarHBondContact O-N 3.05Å; Q71-Q73 VanDerWaalsContact C-N 3.3Å; Q71-Q73 PolarHBondContact O-N 3.09Å; Q71-K74 PolarHBondContact O-N 3.42Å; Q71-E75 WeakPolarHBondContact O-CB 3.42Å; Q71-E75 PolarHBondContact O-N 3.33Å
72K88.4Confident87.4Confident88 Ų8879.1 Ų79.138%0.38339%0.391SS..Hα-helixtrans-59.5-38171.3-172.3175.6-177.71770112.5L25 S68 N69 E75 L76L25-K72 HydrophobicContact CD1-CB 4.43Å; L25-K72 HydrophobicContact CD1-CD 4.42Å; L25-K72 HydrophobicContact CD1-CG 4.24Å; S68-K72 PolarHBondContact O-N 3.3Å; N69-K72 PolarHBondContact O-N 2.88Å; K72-E75 PolarHBondContact O-N 2.9Å; K72-L76 HydrophobicContact CG-CD1 4.16Å; K72-L76 HydrophobicContact CG-CG 4.5Å; K72-L76 WeakPolarHBondContact O-CB 3.43Å; K72-L76 VanDerWaalsContact O-CG 3.24Å; K72-L76 WeakPolarHBondContact O-CG 3.45Å; K72-L76 PolarHBondContact O-N 2.99Å
73Q92.2Very high85.6Confident27 Ų2784.2 Ų84.213%0.12642%0.415CS..Hα-helixtrans-62.1-48.3173.5177.2179.246.200111.6L25 N69 L70 Q71 E75 L76 Q77L25-Q73 HydrophobicContact CB-CB 3.96Å; L25-Q73 HydrophobicContact CB-CG 4.01Å; L25-Q73 HydrophobicContact CD1-CB 4.25Å; L25-Q73 WeakPolarHBondContact O-CG 3.27Å; L25-Q73 PolarHBondContact O-NE2 3.03Å; N69-Q73 PolarHBondContact O-N 2.84Å; L70-Q73 WeakPolarHBondContact O-CB 3.48Å; L70-Q73 PolarHBondContact O-N 3.4Å; Q71-Q73 VanDerWaalsContact C-N 3.3Å; Q71-Q73 PolarHBondContact O-N 3.09Å; Q73-E75 VanDerWaalsContact C-N 3.33Å; Q73-E75 PolarHBondContact O-N 2.95Å; Q73-L76 PolarHBondContact O-N 3.32Å; Q73-Q77 WeakPolarHBondContact O-CB 3.47Å; Q73-Q77 VanDerWaalsContact O-CG 3.29Å; Q73-Q77 WeakPolarHBondContact O-CG 3.39Å; Q73-Q77 PolarHBondContact O-N 2.75Å
74K90.4Very high83.5Confident124 Ų12490.9 Ų90.954%0.53944%0.438SS..Hα-helixtrans-61.6-40.3176.4-69.1169.1-175.1173.10112.2L70 Q71 R78L70-K74 WeakPolarHBondContact O-CG 3.38Å; L70-K74 PolarHBondContact O-N 2.74Å; Q71-K74 PolarHBondContact O-N 3.42Å; K74-R78 VanDerWaalsContact O-CB 3.26Å; K74-R78 WeakPolarHBondContact O-CB 3.42Å; K74-R78 PolarHBondContact O-N 3.27Å
75E90.2Very high81.3Confident128 Ų12889.7 Ų89.760%0.59844%0.439SS*.Hα-helixtrans-63.8-47.2176.7-176.4178.9-163.700111.7Q71 K72 Q73 R78 A79Q71-E75 WeakPolarHBondContact O-CB 3.42Å; Q71-E75 PolarHBondContact O-N 3.33Å; K72-E75 PolarHBondContact O-N 2.9Å; Q73-E75 VanDerWaalsContact C-N 3.33Å; Q73-E75 PolarHBondContact O-N 2.95Å; E75-R78 PolarHBondContact O-N 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.37Å; E75-A79 PolarHBondContact O-N 3.48Å
76L85.9Confident79.3Confident49 Ų4991.3 Ų91.326%0.25745%0.449SS..Hα-helixtrans-62.9-42.4176.1-72.3169.7000112.2F20 L24 L25 K72 Q73 N80F20-L76 HydrophobicContact CE1-CD1 3.8Å; F20-L76 HydrophobicContact CZ-CD1 4.33Å; L24-L76 HydrophobicContact CD2-CB 3.98Å; L24-L76 WeakPolarHBondContact CD2-O 3.44Å; L25-L76 HydrophobicContact CD1-CD1 4.07Å; L25-L76 HydrophobicContact CG-CD1 4.08Å; K72-L76 HydrophobicContact CG-CD1 4.16Å; K72-L76 HydrophobicContact CG-CG 4.5Å; K72-L76 WeakPolarHBondContact O-CB 3.43Å; K72-L76 VanDerWaalsContact O-CG 3.24Å; K72-L76 WeakPolarHBondContact O-CG 3.45Å; K72-L76 PolarHBondContact O-N 2.99Å; Q73-L76 PolarHBondContact O-N 3.32Å; L76-N80 WeakPolarHBondContact O-CB 3.44Å; L76-N80 PolarHBondContact O-N 2.9Å; L76-N80 VanDerWaalsContact O-N 3.09Å
77Q85.9Confident77.3Confident83 Ų8390 Ų9039%0.38845%0.449SS..Hα-helixtrans-62.4-46.5174.5-74.2172.1-2.900111.3L24 Q73 N80 Q81L24-Q77 HydrophobicContact CD2-CG 4.42Å; Q73-Q77 WeakPolarHBondContact O-CB 3.47Å; Q73-Q77 VanDerWaalsContact O-CG 3.29Å; Q73-Q77 WeakPolarHBondContact O-CG 3.39Å; Q73-Q77 PolarHBondContact O-N 2.75Å; Q77-N80 WeakPolarHBondContact O-CB 3.32Å; Q77-N80 PolarHBondContact O-N 3.22Å; Q77-Q81 WeakPolarHBondContact O-CB 3.34Å; Q77-Q81 PolarHBondContact O-N 3.33Å
78R85.7Confident75Confident165 Ų16593.3 Ų93.362%0.62345%0.451SS*.Hα-helixtrans-62.4-47.7177.1178.3177175.6167.66.1112K74 E75 N80 Q81 D82K74-R78 VanDerWaalsContact O-CB 3.26Å; K74-R78 WeakPolarHBondContact O-CB 3.42Å; K74-R78 PolarHBondContact O-N 3.27Å; E75-R78 PolarHBondContact O-N 3.3Å; R78-N80 PolarHBondContact O-N 3.01Å; R78-Q81 CarbonylContact O-C 3.57Å; R78-Q81 PolarHBondContact O-N 3.29Å; R78-D82 VanDerWaalsContact CG-OD2 3.27Å; R78-D82 WeakPolarHBondContact CG-OD2 3.43Å; R78-D82 IonicContact CZ-OD2 3.64Å; R78-D82 IonicContact NE-OD2 3.81Å; R78-D82 PolarHBondContact NE-OD2 3.38Å; R78-D82 IonicContact NH2-OD2 2.76Å; R78-D82 WeakPolarHBondContact O-CB 3.42Å; R78-D82 PolarHBondContact O-N 2.98Å
79A79.6Confident72.7Confident54 Ų5496.5 Ų96.545%0.44646%0.458SS..Hα-helixtrans-62-31.2179.200000112.4E75 H83E75-A79 WeakPolarHBondContact O-CB 3.37Å; E75-A79 PolarHBondContact O-N 3.48Å; A79-H83 WeakPolarHBondContact O-CB 3.45Å; A79-H83 PolarHBondContact O-N 2.94Å
80N77.1Confident70.5Confident78 Ų78105 Ų10542%0.41749%0.488SS..Hα-helixtrans-69.8-42.2171.7-159.9-72.9000111.7L24 L76 Q77 R78 H83 Y84L24-N80 HydrophobicContact CD2-CB 4.19Å; L76-N80 WeakPolarHBondContact O-CB 3.44Å; L76-N80 PolarHBondContact O-N 2.9Å; L76-N80 VanDerWaalsContact O-N 3.09Å; Q77-N80 WeakPolarHBondContact O-CB 3.32Å; Q77-N80 PolarHBondContact O-N 3.22Å; R78-N80 PolarHBondContact O-N 3.01Å; N80-H83 WeakPolarHBondContact O-CB 3.45Å; N80-Y84 PolarHBondContact O-N 2.97Å
81Q72.3Confident68.1Low131 Ų131107.3 Ų107.361%0.61252%0.517SS*.Hα-helixtrans-72.1-41-179.8-161.2170.440.600113.1Q77 R78 H83 Y84 V85Q77-Q81 WeakPolarHBondContact O-CB 3.34Å; Q77-Q81 PolarHBondContact O-N 3.33Å; R78-Q81 CarbonylContact O-C 3.57Å; R78-Q81 PolarHBondContact O-N 3.29Å; Q81-H83 VanDerWaalsContact C-N 3.33Å; Q81-H83 PolarHBondContact O-N 3.09Å; Q81-Y84 WeakPolarHBondContact O-CA 3.28Å; Q81-Y84 WeakPolarHBondContact O-CB 3.47Å; Q81-Y84 PolarHBondContact O-N 2.81Å; Q81-V85 WeakPolarHBondContact O-CG2 3.32Å; Q81-V85 PolarHBondContact O-N 3.35Å
82D64.4Low65.5Low71 Ų71106.1 Ų106.138%0.3853%0.526SS..Hα-helixtrans-63.2-40.1175-74.1-22000110R78 Y84 V85 E86R78-D82 VanDerWaalsContact CG-OD2 3.27Å; R78-D82 WeakPolarHBondContact CG-OD2 3.43Å; R78-D82 IonicContact CZ-OD2 3.64Å; R78-D82 IonicContact NE-OD2 3.81Å; R78-D82 PolarHBondContact NE-OD2 3.38Å; R78-D82 IonicContact NH2-OD2 2.76Å; R78-D82 WeakPolarHBondContact O-CB 3.42Å; R78-D82 PolarHBondContact O-N 2.98Å; D82-Y84 VanDerWaalsContact C-N 3.27Å; D82-Y84 PolarHBondContact O-N 3.02Å; D82-V85 PolarHBondContact O-N 3.49Å; D82-E86 PolarHBondContact O-N 3.22Å
83H58.9Low63Low114 Ų114106.4 Ų106.453%0.52855%0.545SS..Hα-helixtrans-59.6-32.4169.4-92-26000113.7A79 N80 Q81 K157A79-H83 WeakPolarHBondContact O-CB 3.45Å; A79-H83 PolarHBondContact O-N 2.94Å; N80-H83 WeakPolarHBondContact O-CB 3.45Å; Q81-H83 VanDerWaalsContact C-N 3.33Å; Q81-H83 PolarHBondContact O-N 3.09Å; H83-K157 PolarHBondContact NE2-NZ 3.45Å
84Y50.9Low60.6Low177 Ų177111.5 Ų111.569%0.69458%0.581SS**Hα-helixtrans-76-35.2176.4-165.6-93.9000112N80 Q81 D82 R88N80-Y84 PolarHBondContact O-N 2.97Å; Q81-Y84 WeakPolarHBondContact O-CA 3.28Å; Q81-Y84 WeakPolarHBondContact O-CB 3.47Å; Q81-Y84 PolarHBondContact O-N 2.81Å; D82-Y84 VanDerWaalsContact C-N 3.27Å; D82-Y84 PolarHBondContact O-N 3.02Å; Y84-R88 PolarHBondContact O-N 2.93Å
85V50.8Low57.8Low65 Ų65112 Ų11239%0.39459%0.589SS.*Hα-helixtrans-76.5-39.4178.6175.80000112.2Q81 D82 G87 R88 M89Q81-V85 WeakPolarHBondContact O-CG2 3.32Å; Q81-V85 PolarHBondContact O-N 3.35Å; D82-V85 PolarHBondContact O-N 3.49Å; V85-G87 VanDerWaalsContact C-N 3.31Å; V85-G87 PolarHBondContact O-N 2.92Å; V85-R88 PolarHBondContact O-N 2.61Å; V85-R88 VanDerWaalsContact O-N 3.11Å; V85-M89 HydrophobicContact CG1-CG 4.4Å; V85-M89 HydrophobicContact CG1-SD 4.46Å; V85-M89 PolarHBondContact O-N 2.6Å
86E50Low55Low112 Ų112116 Ų11652%0.52360%0.604SS.*Hα-helixtrans-58-42.6173.3-78.4-162.6124.200112.1D82 R88 R90D82-E86 PolarHBondContact O-N 3.22Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 2.72Å; E86-R90 PolarHBondContact O-N 3.27Å
87G48.4Very low52.3Low36 Ų36122 Ų12237%0.37163%0.629SS.*Hα-helixtrans-61.4-38.6175.100000112.4V85V85-G87 VanDerWaalsContact C-N 3.31Å; V85-G87 PolarHBondContact O-N 2.92Å
88R41Very low49.8Very low205 Ų205125.6 Ų125.677%0.77465%0.649SS**Hα-helixtrans-74.4-36.6-179.6-160.4174.4-172.9-176.92.8113.4Y84 V85 E86Y84-R88 PolarHBondContact O-N 2.93Å; V85-R88 PolarHBondContact O-N 2.61Å; V85-R88 VanDerWaalsContact O-N 3.11Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 2.72Å
89M43.9Very low47.3Very low151 Ų151123.9 Ų123.974%0.74466%0.659SS**Hα-helixtrans-77.2-21-178.1-76.3-164.2167.500114.4V85 G91V85-M89 HydrophobicContact CG1-CG 4.4Å; V85-M89 HydrophobicContact CG1-SD 4.46Å; V85-M89 PolarHBondContact O-N 2.6Å; M89-G91 PolarHBondContact O-N 3.03Å
90R45.6Very low44.8Very low212 Ų212126.4 Ų126.480%0.868%0.68SS**THydrogen-bonded Turntrans-75-7.7174.4-72.7-174.9178.2-175.12.1114.5E86 A92E86-R90 PolarHBondContact O-N 3.27Å; R90-A92 VanDerWaalsContact C-N 3.34Å; R90-A92 PolarHBondContact O-N 2.73Å
91G38.8Very low42.5Very low73 Ų73127.6 Ų127.675%0.75370%0.701SS**THydrogen-bonded Turntrans-78.1-4.3-179.900000116.3M89M89-G91 PolarHBondContact O-N 3.03Å
92A35.6Very low40.2Very low85 Ų85126.6 Ų126.670%0.70271%0.708SS**  trans-136.3109.3-176.100000112.4R90R90-A92 VanDerWaalsContact C-N 3.34Å; R90-A92 PolarHBondContact O-N 2.73Å
93A35.6Very low38.6Very low95 Ų95132.8 Ų132.879%0.78574%0.735SS**  trans-150.1122.5179.200000113.4
94P41.4Very low37.1Very low133 Ų133136.1 Ų136.186%0.86475%0.748SS**  trans-99.784.5169.934.5-28.5000112.7
95N32.3Very low35.8Very low135 Ų135134.2 Ų134.272%0.72275%0.75SS**  trans26.9116.1139.4-17413000120.2
96K30.9Very low34.7Very low211 Ų211137.8 Ų137.892%0.91777%0.767SS**  trans-154.5161.1146.8-113.6167.8-173.5176.50111.6
97K30Very low33.5Very low177 Ų177137.7 Ų137.777%0.7777%0.773SS**  trans-108.5137-163.5-61.1178.7179.8178.20114.2
98I31.9Very low32.6Very low158 Ų158146.2 Ų146.281%0.8180%0.8SS**  37.2122.2125.1-54.6175000116.1
99P34.9Very low31.9Very low129 Ų129142.2 Ų142.284%0.83880%0.799SS**  -142.6-179.370.939-20.4000117.5
100A27.1Very low31.2Very low106 Ų106145.1 Ų145.188%0.87681%0.807SS**  trans-102.7163.6-166.900000114.4
101A27.1Very low30.3Very low104 Ų104144.6 Ų144.686%0.8681%0.811SS**  trans-140.7138.316600000112.2
102S25.3Very low29.7Very low110 Ų110148.9 Ų148.977%0.76982%0.816SS**  trans-68157-178.1-41.80000114.8
103Q31.2Very low29.4Very low200 Ų200152.7 Ų152.794%0.93582%0.817SS**  trans-156166132.4-115164.765.800112.7
104K25.6Very low29Very low184 Ų184155 Ų15580%0.881%0.812SS**  trans-124.1-175.2-172.7-65.1-178.1172.2-1790110.7
105N25.3Very low28.5Very low138 Ų138156.8 Ų156.874%0.73881%0.806SS**  trans82.1145.3160.5-58.16.6000114.7
106D26.1Very low28.3Very low140 Ų140156 Ų15675%0.74981%0.806SS**  cis-149.4169.8-6.7-134.5-58.2000112.9
107V26.3Very low28.5Very low110 Ų110151.8 Ų151.867%0.66780%0.8SS**  trans-95.1136.6176.3176.10000110.6
108K28.3Very low28.4Very low214 Ų214147 Ų14793%0.9380%0.801SS**  trans-149.599.1156.8-116.3147.7-167.41650114.6
109T25.9Very low28.2Very low121 Ų121144.8 Ų144.874%0.74281%0.806SS**  trans-67.5141.21683.10000112
110K29.8Very low27.9Very low212 Ų212142.3 Ų142.392%0.92280%0.804SS**  trans-137.3117.2148.8-81.4-165.3174.3-178.50110.9
111K27.1Very low28Very low201 Ų201147 Ų14787%0.87481%0.808SS**  trans-76.2162.6162-67.8174.6173.9173.40109.3
112N26.1Very low28Very low164 Ų164145.5 Ų145.588%0.87780%0.802SS**  trans-146.2165.4141.7-154.714.4000114.1
113K28.9Very low28.2Very low164 Ų164146.8 Ų146.871%0.71381%0.806SS**  trans-126154.6-178.1-102-167.2167.9-1430110
114Q28.1Very low28.1Very low144 Ų144142.2 Ų142.267%0.67380%0.796SS**  cis-135.5-110.9-15.8-153.5178.6-5700107.5
115K29.3Very low28.4Very low171 Ų171139.1 Ų139.174%0.74380%0.798SS**  cis-157143-17.8-155.8-153176.3-176.10106.9
116T29.9Very low28.6Very low119 Ų119136.5 Ų136.573%0.7380%0.803SS**  trans-89.8155.1157.550.80000109.5
117P35.3Very low28.7Very low122 Ų122133.9 Ų133.979%0.79281%0.809SS**  -136.8-17888.338.4-23.2000111.6
118G26.6Very low29Very low75 Ų75136.2 Ų136.277%0.77382%0.818SS**  cis-166.2-174.12.300000111.2
119A28.1Very low29.7Very low113 Ų113131.3 Ų131.393%0.93481%0.808SS**  trans-90.8165.4-175.500000113.9
120G28.3Very low30.1Very low77 Ų77133.1 Ų133.179%0.79481%0.811SS**  trans-157.1136.4167.500000110.4
121E28.6Very low30.4Very low204 Ų204130.7 Ų130.795%0.95380%0.803SS**  trans-102.4166.9-175.6-58.6166.1117.500110.6
122G28.8Very low30.9Very low72 Ų72125.9 Ų125.974%0.74279%0.792SS**  trans165.932.4176.600000123.4
123T28.1Very low31.6Very low137 Ų137124.1 Ų124.184%0.8479%0.79SS**  trans36.8111.4137.7-51.70000122.5
124S29.7Very low32.1Very low104 Ų104126.9 Ų126.973%0.72780%0.796SS**  trans89.6144.7132.8-155.70000124.2
125S31.9Very low32.8Very low120 Ų120129.7 Ų129.784%0.83981%0.806SS**  trans70.7133.7157.3-53.40000119
126G28.6Very low33.2Very low83 Ų83131.5 Ų131.586%0.85681%0.814SS**  cis161.9150.5-7.900000112.2
127G29.5Very low33.9Very low84 Ų84136.7 Ų136.787%0.86682%0.82SS**  trans132.1111.3169.800000116.1
128D32.8Very low34.4Very low159 Ų159135.1 Ų135.185%0.8582%0.817SS**  trans-98.8151.9162.4-115.9-50.3000108.5
129P41.6Very low35.3Very low111 Ų111142.4 Ų142.472%0.72182%0.821SS**  -147.4135.2104.732.3-13.8000117.3
130I35.6Very low36.5Very low159 Ų159142.4 Ų142.482%0.81581%0.809SS**  trans69.8106.3141.5-56.4168000117.6
131H36.3Very low37.2Very low162 Ų162142.8 Ų142.875%0.7579%0.793SS**  trans-108.7135.4166.4-129.2-58.3000110.2
132P37.6Very low38.3Very low100 Ų100138.1 Ų138.165%0.64978%0.781SS**  trans-68.6151.6171.327.2-34.3000112R134P132-R134 PolarHBondContact O-N 3.45Å; P132-R134 VanDerWaalsContact O-N 3.09Å
133P40.8Very low39.5Very low126 Ų126140.2 Ų140.282%0.81878%0.779SS**  trans-74.1104.5-159.927.6-35.9000114.1K135P133-K135 PolarHBondContact O-N 3.02Å
134R38.3Very low40.5Very low223 Ų223138.4 Ų138.484%0.84277%0.768SS**  trans-66.5113.7163-83.8-178.7165.4170.2-3.2109.7P132 K136P132-R134 PolarHBondContact O-N 3.45Å; P132-R134 VanDerWaalsContact O-N 3.09Å; R134-K136 PolarHBondContact O-N 2.77Å; R134-K136 VanDerWaalsContact O-N 3.16Å
135K42.2Very low41.6Very low203 Ų203138.2 Ų138.288%0.88376%0.755SS**  trans-51.1121.3169-70.2-173.6177-175.70109.4P133 R137P133-K135 PolarHBondContact O-N 3.02Å; K135-R137 PolarHBondContact O-N 3.1Å
136K38.5Very low42.8Very low209 Ų209135.4 Ų135.491%0.90974%0.736SS**  trans-58107.3173.4-71.7-180178.2176.90108.5R134R134-K136 PolarHBondContact O-N 2.77Å; R134-K136 VanDerWaalsContact O-N 3.16Å
137R45.2Very low43.8Very low227 Ų227137 Ų13786%0.85772%0.721SS**  trans-61.1138.6154.5-79.3-178.8166.7-179.1-6.4106.8K135 R139K135-R137 PolarHBondContact O-N 3.1Å; R137-R139 PolarHBondContact O-N 2.7Å
138A45.2Very low44.8Very low90 Ų90140.2 Ų140.274%0.74471%0.713SS**  trans-53131.9168.300000108.4V140A138-V140 VanDerWaalsContact C-N 3.34Å; A138-V140 PolarHBondContact O-N 3.42Å
139R45.7Very low45.8Very low228 Ų228135.9 Ų135.986%0.8669%0.693SS**  trans-69.498.3172.8-177-178.6-172.4173.81.4105.8R137 D141R137-R139 PolarHBondContact O-N 2.7Å; R139-D141 PolarHBondContact O-N 2.95Å
140V52.8Low46.3Very low112 Ų112135.8 Ų135.868%0.67968%0.681SS**  trans-54.6129.7169.5-174.40000106.4A138 V144A138-V140 VanDerWaalsContact C-N 3.34Å; A138-V140 PolarHBondContact O-N 3.42Å; V140-V144 HydrophobicContact CG1-CB 4.44Å
141D43.1Very low47.3Very low85 Ų85132.4 Ų132.446%0.45566%0.664SS.*  trans-64131.7-174.7-164.9-67.6000109.4R139 T143 V144R139-D141 PolarHBondContact O-N 2.95Å; D141-T143 PolarHBondContact O-N 2.78Å; D141-T143 WeakPolarHBondContact OD1-CB 3.49Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.35Å; D141-T143 PolarHBondContact OD1-N 3.37Å; D141-T143 PolarHBondContact OD1-OG1 3.43Å; D141-V144 HydrophobicContact CB-CG2 4.22Å; D141-V144 PolarHBondContact O-N 2.81Å
142P51Low48.1Very low107 Ų107129.7 Ų129.770%0.69566%0.655SS**THydrogen-bonded Turntrans-58.2-15.5178.8-23.934.2000114.7
143T55.7Low49.4Very low116 Ų116128.7 Ų128.771%0.71264%0.638SS**THydrogen-bonded Turntrans-78.8-14.7174.759.70000114.2D141 E145D141-T143 PolarHBondContact O-N 2.78Å; D141-T143 WeakPolarHBondContact OD1-CB 3.49Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.35Å; D141-T143 PolarHBondContact OD1-N 3.37Å; D141-T143 PolarHBondContact OD1-OG1 3.43Å; T143-E145 PolarHBondContact O-N 3.41Å
144V48Very low50.7Low99 Ų99128.9 Ų128.960%0.664%0.637SS**  trans-8992.5-179.6-178.70000110V140 D141V140-V144 HydrophobicContact CG1-CB 4.44Å; D141-V144 HydrophobicContact CB-CG2 4.22Å; D141-V144 PolarHBondContact O-N 2.81Å
145E52.6Low52.5Low100 Ų100123.8 Ų123.847%0.46762%0.622SS.*  trans-64.6161.5169-71-173.2-177.900112.2T143 T149 R153T143-E145 PolarHBondContact O-N 3.41Å; E145-T149 VanDerWaalsContact OE2-CG2 3.27Å; E145-T149 WeakPolarHBondContact OE2-CG2 3.3Å; E145-R153 IonicContact OE1-CZ 2.66Å; E145-R153 IonicContact OE1-NH2 2.72Å; E145-R153 PolarHBondContact OE1-NH2 3.2Å; E145-R153 IonicContact OE2-CZ 3.2Å; E145-R153 IonicContact OE2-NE 2.67Å; E145-R153 PolarHBondContact OE2-NE 2.82Å; E145-R153 IonicContact OE2-NH2 3.81Å; E145-R153 PolarHBondContact OE2-NH2 3.21Å
146S57.2Low54.5Low60 Ų60115 Ų11542%0.4259%0.586SS.*  trans-75.6152.8175.873.20000111.9E148 T149 F150S146-E148 PolarHBondContact O-N 3.08Å; S146-T149 PolarHBondContact O-N 2.96Å; S146-T149 PolarHBondContact OG-N 3.42Å; S146-T149 VanDerWaalsContact OG-N 3.12Å; S146-T149 PolarHBondContact OG-OG1 2.87Å; S146-T149 VanDerWaalsContact OG-OG1 3.11Å; S146-F150 WeakPolarHBondContact O-CB 3.4Å; S146-F150 PolarHBondContact O-N 3.36Å
147E51Low56.7Low117 Ų117112 Ų11255%0.54757%0.573SS.*Hα-helixtrans-56.7-28.8173.4-166.7-177.9174.500112.3Q39 I151Q39-E147 PolarHBondContact NE2-OE1 3.04Å; Q39-E147 PolarHBondContact NE2-OE2 3.01Å; E147-I151 HydrophobicContact CG-CD1 4.28Å; E147-I151 VanDerWaalsContact O-CG1 3.32Å; E147-I151 WeakPolarHBondContact O-CG1 3.48Å; E147-I151 PolarHBondContact O-N 3.44Å; E147-I151 VanDerWaalsContact O-N 3.09Å
148E49Very low58.9Low151 Ų151102 Ų10271%0.70654%0.537SS*.Hα-helixtrans-74.2-38.4172.8-71.2-175.3119.800113S146 F150 N152S146-E148 PolarHBondContact O-N 3.08Å; E148-F150 VanDerWaalsContact C-N 3.33Å; E148-N152 WeakPolarHBondContact O-CB 3.39Å; E148-N152 PolarHBondContact O-N 2.87Å; E148-N152 PolarHBondContact O-ND2 3.17Å
149T55.3Low61.3Low69 Ų69104.7 Ų104.742%0.42353%0.532SS..Hα-helixtrans-65.6-41.2172.5-55.60000110.4E145 S146 N152 R153E145-T149 VanDerWaalsContact OE2-CG2 3.27Å; E145-T149 WeakPolarHBondContact OE2-CG2 3.3Å; S146-T149 PolarHBondContact O-N 2.96Å; S146-T149 PolarHBondContact OG-N 3.42Å; S146-T149 VanDerWaalsContact OG-N 3.12Å; S146-T149 PolarHBondContact OG-OG1 2.87Å; S146-T149 VanDerWaalsContact OG-OG1 3.11Å; T149-N152 PolarHBondContact O-N 3.1Å; T149-R153 WeakPolarHBondContact O-CG 3.3Å
150F52.3Low63.7Low108 Ų10895.3 Ų95.347%0.47450%0.499SS..Hα-helixtrans-55-57176.8-179.1-92.7000111.7S146 E148 N152 Y276S146-F150 WeakPolarHBondContact O-CB 3.4Å; S146-F150 PolarHBondContact O-N 3.36Å; E148-F150 VanDerWaalsContact C-N 3.33Å; F150-N152 VanDerWaalsContact C-N 3.3Å; F150-N152 PolarHBondContact O-N 2.97Å; F150-Y276 HydrophobicContact CB-CE1 4.45Å; F150-Y276 AromaticContact CD1-CE1 3.99Å; F150-Y276 HydrophobicContact CD1-CE1 3.99Å; F150-Y276 AromaticContact CD2-CD1 3.58Å; F150-Y276 HydrophobicContact CD2-CD1 3.58Å; F150-Y276 AromaticContact CD2-CE1 3.34Å; F150-Y276 HydrophobicContact CD2-CE1 3.34Å; F150-Y276 HydrophobicContact CE1-CE1 4.03Å; F150-Y276 AromaticContact CE2-CD1 3.55Å; F150-Y276 HydrophobicContact CE2-CD1 3.55Å; F150-Y276 AromaticContact CE2-CE1 3.38Å; F150-Y276 HydrophobicContact CE2-CE1 3.38Å; F150-Y276 HydrophobicContact CE2-CG 4.43Å; F150-Y276 HydrophobicContact CG-CD1 4.32Å; F150-Y276 AromaticContact CG-CE1 3.64Å; F150-Y276 HydrophobicContact CG-CE1 3.64Å; F150-Y276 HydrophobicContact CZ-CD1 4.27Å; F150-Y276 AromaticContact CZ-CE1 3.74Å; F150-Y276 HydrophobicContact CZ-CE1 3.74Å; F150-Y276 VanDerWaalsContact O-CE1 3.3Å; F150-Y276 WeakPolarHBondContact O-CE1 3.31Å; F150-Y276 PolarHBondContact O-OH 2.94Å
151I55.1Low65.9Low89 Ų8991 Ų9146%0.45647%0.472SS..Hα-helixtrans-66.1-28.2-176.3-66.4169.9000113.1E147E147-I151 HydrophobicContact CG-CD1 4.28Å; E147-I151 VanDerWaalsContact O-CG1 3.32Å; E147-I151 WeakPolarHBondContact O-CG1 3.48Å; E147-I151 PolarHBondContact O-N 3.44Å; E147-I151 VanDerWaalsContact O-N 3.09Å
152N53.3Low68.4Low104 Ų10492 Ų9256%0.55647%0.474SS*.THydrogen-bonded Turntrans-93.35.1-172.5-71.1-62.9000114.9E148 T149 F150E148-N152 WeakPolarHBondContact O-CB 3.39Å; E148-N152 PolarHBondContact O-N 2.87Å; E148-N152 PolarHBondContact O-ND2 3.17Å; T149-N152 PolarHBondContact O-N 3.1Å; F150-N152 VanDerWaalsContact C-N 3.3Å; F150-N152 PolarHBondContact O-N 2.97Å
153R66.1Low70.6Confident79 Ų7992.3 Ų92.330%0.29847%0.467SS..SBendtrans-67.4138.5174.8-63.7-161.4178.2-1690.7111.2E145 T149 E155 A275 Y276E145-R153 IonicContact OE1-CZ 2.66Å; E145-R153 IonicContact OE1-NH2 2.72Å; E145-R153 PolarHBondContact OE1-NH2 3.2Å; E145-R153 IonicContact OE2-CZ 3.2Å; E145-R153 IonicContact OE2-NE 2.67Å; E145-R153 PolarHBondContact OE2-NE 2.82Å; E145-R153 IonicContact OE2-NH2 3.81Å; E145-R153 PolarHBondContact OE2-NH2 3.21Å; T149-R153 WeakPolarHBondContact O-CG 3.3Å; R153-E155 PolarHBondContact O-N 2.58Å; R153-A275 HydrophobicContact CB-CB 4.13Å; R153-A275 WeakPolarHBondContact CD-O 3.23Å; R153-A275 PolarHBondContact NH1-O 3.4Å; R153-Y276 PolarHBondContact NH1-O 3.02Å
154V66.4Low72.6Confident131 Ų13186.8 Ų86.879%0.79443%0.433SS*.PPolyproline II helixtrans-71.8123.7-179.1179.70000110.2V156 A275V154-V156 PolarHBondContact O-N 3.41Å; V154-A275 WeakPolarHBondContact O-CB 3.32Å
155E77.4Confident74.9Confident115 Ų11586 Ų8654%0.53742%0.421SS..PPolyproline II helixtrans-59.6130.5177.6176.5169.1-151.900112R153 K157 A272R153-E155 PolarHBondContact O-N 2.58Å; E155-K157 PolarHBondContact O-N 3.44Å; E155-K157 VanDerWaalsContact O-N 3.08Å; E155-A272 HydrophobicContact CG-CB 4.46Å; E155-A272 PolarHBondContact OE1-N 2.89Å
156V84.4Confident77Confident19 Ų1984.6 Ų84.612%0.11542%0.421CS..  trans-80.193.8179.5-1750000109.1V154 V158 G271 L274 A275 L284 L288V154-V156 PolarHBondContact O-N 3.41Å; V156-V158 PolarHBondContact O-N 3.11Å; V156-G271 WeakPolarHBondContact CB-O 3.44Å; V156-G271 PolarHBondContact N-O 3.32Å; V156-G271 WeakPolarHBondContact O-CA 3.49Å; V156-L274 HydrophobicContact CB-CB 4Å; V156-L274 HydrophobicContact CG1-CB 4.45Å; V156-L274 HydrophobicContact CG1-CD1 4.43Å; V156-L274 HydrophobicContact CG2-CB 3.95Å; V156-A275 HydrophobicContact CG2-CB 4.33Å; V156-L284 HydrophobicContact CG1-CD1 4.04Å; V156-L284 HydrophobicContact CG2-CD1 4.29Å; V156-L284 HydrophobicContact CG2-CD2 4.32Å; V156-L288 HydrophobicContact CG1-CD1 3.83Å; V156-L288 HydrophobicContact CG1-CD2 3.85Å; V156-L288 HydrophobicContact CG1-CG 4.22Å
157K83.7Confident78.9Confident145 Ų14585.5 Ų85.563%0.6342%0.415SS*.  trans-65.985.6-174.9-167.6174.4-176.1177.50113.5H83 E155 K159H83-K157 PolarHBondContact NE2-NZ 3.45Å; E155-K157 PolarHBondContact O-N 3.44Å; E155-K157 VanDerWaalsContact O-N 3.08Å; K157-K159 PolarHBondContact O-N 2.94Å
158V92.2Very high81.1Confident17 Ų1781.4 Ų81.410%0.10340%0.397CS..  trans-59.6128.6166.3179.80000108.8V156 F267 I270 L274 L288 L295V156-V158 PolarHBondContact O-N 3.11Å; V158-F267 HydrophobicContact CG1-CB 4.45Å; V158-F267 HydrophobicContact CG1-CD1 4.45Å; V158-I270 HydrophobicContact CG2-CG2 4.07Å; V158-L274 HydrophobicContact CG2-CD1 4.26Å; V158-L288 HydrophobicContact CG2-CD2 4.04Å; V158-L295 HydrophobicContact CG1-CD1 3.92Å
159K94.5Very high83.4Confident148 Ų14878.4 Ų78.464%0.64339%0.388SS*.  trans-92.8113.8-178.9-66.8-177.3179.8179.90110.2K157 Q292K157-K159 PolarHBondContact O-N 2.94Å; K159-Q292 PolarHBondContact O-NE2 3.37Å
160I97.4Very high85.3Confident31 Ų3178.8 Ų78.816%0.15939%0.388CS..  trans-72.8130.4169.2-52.3-57.8000108.8L164 K165 L168 F267 V268 L295I160-L164 HydrophobicContact CG2-CB 3.97Å; I160-K165 HydrophobicContact CG2-CG 4.32Å; I160-L168 HydrophobicContact CG1-CD1 4.49Å; I160-L168 HydrophobicContact CG2-CD1 3.99Å; I160-F267 HydrophobicContact CD1-CB 3.58Å; I160-V268 HydrophobicContact CD1-CG2 4.15Å; I160-V268 HydrophobicContact CG1-CG2 4.22Å; I160-L295 HydrophobicContact CD1-CD2 4.31Å
161P97.8Very high87.5Confident20 Ų2073.9 Ų73.913%0.1337%0.367CS..  trans-54.8146.8171.1-24.633.9000112E163 L164 L295 V299P161-E163 VanDerWaalsContact CB-OE2 3.23Å; P161-E163 WeakPolarHBondContact CB-OE2 3.01Å; P161-E163 PolarHBondContact O-N 3.27Å; P161-L164 HydrophobicContact CB-CG 4.44Å; P161-L164 HydrophobicContact CG-CD1 4.18Å; P161-L164 PolarHBondContact O-N 3.36Å; P161-L164 VanDerWaalsContact O-N 3.12Å; P161-L295 HydrophobicContact CG-CB 3.9Å; P161-V299 HydrophobicContact CB-CG2 3.54Å; P161-V299 HydrophobicContact CG-CG2 3.77Å
162E96.1Very high89.5Confident106 Ų10675.2 Ų75.250%0.49537%0.366SS..G310 helixtrans-61.4-36-177.3-152.765.4-132.300111L164 K165 P166E162-L164 PolarHBondContact O-N 3.11Å; E162-K165 PolarHBondContact O-N 3.39Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 WeakPolarHBondContact OE1-CD 3.45Å; E162-K165 WeakPolarHBondContact OE1-CE 3.39Å; E162-K165 IonicContact OE1-NZ 3.03Å; E162-K165 PolarHBondContact OE1-NZ 3.44Å; E162-K165 WeakPolarHBondContact OE2-CE 3.23Å; E162-K165 IonicContact OE2-NZ 3.74Å; E162-K165 PolarHBondContact OE2-NZ 3.05Å; E162-P166 WeakPolarHBondContact O-CD 3.24Å
163E97.4Very high91.6Very high115 Ų11571.4 Ų71.454%0.53735%0.346SS..G310 helixtrans-65.4-18.3179.9-50.492.6145.200113.5P161 V299P161-E163 VanDerWaalsContact CB-OE2 3.23Å; P161-E163 WeakPolarHBondContact CB-OE2 3.01Å; P161-E163 PolarHBondContact O-N 3.27Å; E163-V299 HydrophobicContact CB-CG1 3.97Å; E163-V299 HydrophobicContact CB-CG2 4.21Å; E163-V299 HydrophobicContact CG-CG1 4.13Å
164L97.4Very high93.1Very high0 Ų068.4 Ų68.40%034%0.335CS..G310 helixtrans-102.7-6177.2-62.7-178.3000113.3I160 P161 E162 L168 L264 L295 L298 V299 F306I160-L164 HydrophobicContact CG2-CB 3.97Å; P161-L164 HydrophobicContact CB-CG 4.44Å; P161-L164 HydrophobicContact CG-CD1 4.18Å; P161-L164 PolarHBondContact O-N 3.36Å; P161-L164 VanDerWaalsContact O-N 3.12Å; E162-L164 PolarHBondContact O-N 3.11Å; L164-L168 PolarHBondContact O-N 2.95Å; L164-L264 HydrophobicContact CB-CD1 4.19Å; L164-L264 HydrophobicContact CB-CD2 4.07Å; L164-L264 HydrophobicContact CD1-CD1 3.77Å; L164-L295 HydrophobicContact CD1-CD2 4.21Å; L164-L298 HydrophobicContact CD1-CB 3.88Å; L164-V299 HydrophobicContact CD1-CG2 3.88Å; L164-V299 HydrophobicContact CD2-CG2 4.24Å; L164-V299 HydrophobicContact CG-CG2 3.73Å; L164-F306 HydrophobicContact CD2-CD2 4.34Å; L164-F306 HydrophobicContact CD2-CE2 3.72Å; L164-F306 HydrophobicContact CD2-CZ 4.35Å
165K96.7Very high94.6Very high82 Ų8262.1 Ų62.136%0.35730%0.298SS..Hα-helixtrans-71.9-40176.6-60.8-172.4-157.41600113.7I160 E162 W167 L168 V169I160-K165 HydrophobicContact CG2-CG 4.32Å; E162-K165 PolarHBondContact O-N 3.39Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 WeakPolarHBondContact OE1-CD 3.45Å; E162-K165 WeakPolarHBondContact OE1-CE 3.39Å; E162-K165 IonicContact OE1-NZ 3.03Å; E162-K165 PolarHBondContact OE1-NZ 3.44Å; E162-K165 WeakPolarHBondContact OE2-CE 3.23Å; E162-K165 IonicContact OE2-NZ 3.74Å; E162-K165 PolarHBondContact OE2-NZ 3.05Å; K165-W167 VanDerWaalsContact C-N 3.31Å; K165-W167 PolarHBondContact O-N 3.49Å; K165-L168 PolarHBondContact O-N 2.96Å; K165-L168 VanDerWaalsContact O-N 3.17Å; K165-V169 PolarHBondContact O-N 3.31Å; K165-V169 VanDerWaalsContact O-N 3.13Å
166P96.6Very high95.3Very high70 Ų7058.3 Ų58.346%0.45528%0.282SS..Hα-helixtrans-54.4-49172.1-27.335.7000111.3E162 L168 V169 D170E162-P166 WeakPolarHBondContact O-CD 3.24Å; P166-L168 VanDerWaalsContact C-N 3.27Å; P166-L168 PolarHBondContact O-N 3.49Å; P166-V169 CarbonylContact O-C 3.56Å; P166-V169 WeakPolarHBondContact O-CA 3.27Å; P166-V169 WeakPolarHBondContact O-CB 3.17Å; P166-V169 PolarHBondContact O-N 3.04Å; P166-D170 VanDerWaalsContact O-CG 3.26Å; P166-D170 PolarHBondContact O-N 3.31Å
167W96.6Very high95.7Very high80 Ų8065.4 Ų65.430%0.30331%0.307SS..Hα-helixtrans-56.3-34.6177-73113.8000114.5K165 D171 L264 F306K165-W167 VanDerWaalsContact C-N 3.31Å; K165-W167 PolarHBondContact O-N 3.49Å; W167-D171 WeakPolarHBondContact O-CB 3.49Å; W167-D171 PolarHBondContact O-N 3.3Å; W167-L264 HydrophobicContact CB-CD2 4.42Å; W167-F306 HydrophobicContact CD2-CB 3.48Å; W167-F306 VanDerWaalsContact CD2-CB 3.48Å; W167-F306 HydrophobicContact CD2-CG 4.15Å; W167-F306 HydrophobicContact CE3-CB 3.53Å; W167-F306 HydrophobicContact CE3-CG 4.49Å; W167-F306 HydrophobicContact CG-CB 4.05Å; W167-F306 HydrophobicContact CG-CD2 4.38Å; W167-F306 HydrophobicContact CG-CG 4.2Å; W167-F306 HydrophobicContact CH2-CB 3.96Å; W167-F306 WeakPolarHBondContact CH2-O 3.13Å; W167-F306 HydrophobicContact CZ2-CB 3.92Å; W167-F306 WeakPolarHBondContact CZ2-O 3.5Å; W167-F306 HydrophobicContact CZ3-CB 3.77Å
168L97.5Very high96.2Very high30 Ų3063 Ų6316%0.15730%0.298CS..Hα-helixtrans-73.9-27.1173.6-78.5167.2000113.6I160 L164 K165 P166 W172 L264 R265 V268I160-L168 HydrophobicContact CG1-CD1 4.49Å; I160-L168 HydrophobicContact CG2-CD1 3.99Å; L164-L168 PolarHBondContact O-N 2.95Å; K165-L168 PolarHBondContact O-N 2.96Å; K165-L168 VanDerWaalsContact O-N 3.17Å; P166-L168 VanDerWaalsContact C-N 3.27Å; P166-L168 PolarHBondContact O-N 3.49Å; L168-W172 WeakPolarHBondContact O-CB 2.99Å; L168-W172 PolarHBondContact O-N 3.34Å; L168-L264 HydrophobicContact CD1-CD2 4.47Å; L168-L264 HydrophobicContact CD1-CG 4.31Å; L168-L264 HydrophobicContact CD2-CD2 4.23Å; L168-L264 HydrophobicContact CD2-CG 4Å; L168-L264 HydrophobicContact CG-CD2 3.9Å; L168-L264 HydrophobicContact CG-CG 4.04Å; L168-R265 HydrophobicContact CD2-CG 4.19Å; L168-V268 HydrophobicContact CD1-CG2 3.66Å; L168-V268 HydrophobicContact CD2-CG2 4.06Å
169V97.5Very high96.4Very high88 Ų8865.9 Ų65.953%0.53331%0.309SS..Hα-helixtrans-77.8-41.1173.4175.40000110.2K165 P166 W172 D173K165-V169 PolarHBondContact O-N 3.31Å; K165-V169 VanDerWaalsContact O-N 3.13Å; P166-V169 CarbonylContact O-C 3.56Å; P166-V169 WeakPolarHBondContact O-CA 3.27Å; P166-V169 WeakPolarHBondContact O-CB 3.17Å; P166-V169 PolarHBondContact O-N 3.04Å; V169-W172 PolarHBondContact O-N 2.88Å; V169-D173 WeakPolarHBondContact O-CB 3.46Å; V169-D173 PolarHBondContact O-N 3.32Å
170D95.5Very high96.5Very high77 Ų7760.3 Ų60.341%0.41229%0.285SS..Hα-helixtrans-68.9-44.1179.1-60.1-33.1000111.3P166 W172 D173 L174P166-D170 VanDerWaalsContact O-CG 3.26Å; P166-D170 PolarHBondContact O-N 3.31Å; D170-W172 VanDerWaalsContact C-N 3.35Å; D170-W172 PolarHBondContact O-N 3Å; D170-D173 PolarHBondContact O-N 3.23Å; D170-D173 VanDerWaalsContact O-N 3.13Å; D170-L174 WeakPolarHBondContact O-CB 3.39Å; D170-L174 WeakPolarHBondContact O-CD1 3.16Å; D170-L174 WeakPolarHBondContact O-CG 3.16Å; D170-L174 PolarHBondContact O-N 3.14Å
171D97.9Very high96.6Very high5 Ų559.2 Ų59.23%0.02728%0.279CS..Hα-helixtrans-54.6-46.9170.6167.266.9000112W167 I175 R265 Y311W167-D171 WeakPolarHBondContact O-CB 3.49Å; W167-D171 PolarHBondContact O-N 3.3Å; D171-I175 PolarHBondContact O-N 2.79Å; D171-R265 IonicContact OD1-CZ 2.78Å; D171-R265 IonicContact OD1-NE 3Å; D171-R265 PolarHBondContact OD1-NE 3.08Å; D171-R265 IonicContact OD1-NH2 2.66Å; D171-R265 PolarHBondContact OD1-NH2 3.09Å; D171-R265 IonicContact OD2-CZ 2.7Å; D171-R265 IonicContact OD2-NE 2.69Å; D171-R265 PolarHBondContact OD2-NE 3.44Å; D171-R265 IonicContact OD2-NH2 3.97Å; D171-R265 PolarHBondContact OD2-NH2 3.2Å; D171-Y311 PolarHBondContact OD1-OH 3.23Å; D171-Y311 VanDerWaalsContact OD1-OH 3.11Å
172W97.6Very high96.6Very high117 Ų11758.8 Ų58.844%0.44328%0.276SS..Hα-helixtrans-63-40.7174.5174.882.6000112.4L168 V169 D170 T176 R177 Y235L168-W172 WeakPolarHBondContact O-CB 2.99Å; L168-W172 PolarHBondContact O-N 3.34Å; V169-W172 PolarHBondContact O-N 2.88Å; D170-W172 VanDerWaalsContact C-N 3.35Å; D170-W172 PolarHBondContact O-N 3Å; W172-T176 VanDerWaalsContact CE2-OG1 3.25Å; W172-T176 HydrophobicContact CG-CG2 4.33Å; W172-T176 PolarHBondContact NE1-OG1 2.85Å; W172-T176 VanDerWaalsContact O-CB 3.26Å; W172-T176 WeakPolarHBondContact O-CB 3.3Å; W172-T176 WeakPolarHBondContact O-CG2 3.38Å; W172-T176 PolarHBondContact O-N 3.44Å; W172-T176 PolarHBondContact O-OG1 3.48Å; W172-R177 HydrophobicContact CH2-CG 4.31Å; W172-R177 HydrophobicContact CZ3-CG 4.4Å; W172-Y235 AromaticContact CD1-CE1 3.69Å; W172-Y235 AromaticContact CD1-CZ 3.88Å
173D96.6Very high96.7Very high24 Ų2456.4 Ų56.413%0.12826%0.264CS..Hα-helixtrans-68.8-49.6-178.7-166.674000112.2V169 D170 I175 R177 Q178V169-D173 WeakPolarHBondContact O-CB 3.46Å; V169-D173 PolarHBondContact O-N 3.32Å; D170-D173 PolarHBondContact O-N 3.23Å; D170-D173 VanDerWaalsContact O-N 3.13Å; D173-I175 VanDerWaalsContact C-N 3.3Å; D173-I175 PolarHBondContact O-N 2.91Å; D173-R177 CarbonylContact O-C 3.39Å; D173-R177 WeakPolarHBondContact O-CA 3.29Å; D173-R177 WeakPolarHBondContact O-CB 3.17Å; D173-R177 PolarHBondContact O-N 3.43Å; D173-R177 WeakPolarHBondContact OD1-CD 3.36Å; D173-R177 IonicContact OD1-CZ 3.71Å; D173-R177 IonicContact OD1-NE 2.73Å; D173-R177 IonicContact OD1-NH1 3.84Å; D173-R177 PolarHBondContact OD1-NH1 3.26Å; D173-Q178 PolarHBondContact O-N 3.09Å; D173-Q178 WeakPolarHBondContact OD2-CG 3.41Å; D173-Q178 PolarHBondContact OD2-NE2 3.41Å
174L97.6Very high96.7Very high16 Ų1652.6 Ų52.68%0.08425%0.247CC..Hα-helixtrans-50.2-50.9177-74.2165.1000110.6D170 Q178 K179 Q180 Y311D170-L174 WeakPolarHBondContact O-CB 3.39Å; D170-L174 WeakPolarHBondContact O-CD1 3.16Å; D170-L174 WeakPolarHBondContact O-CG 3.16Å; D170-L174 PolarHBondContact O-N 3.14Å; L174-Q178 CarbonylContact O-C 3.42Å; L174-Q178 WeakPolarHBondContact O-CB 3.33Å; L174-Q178 PolarHBondContact O-N 2.98Å; L174-K179 PolarHBondContact O-N 3.47Å; L174-Q180 HydrophobicContact CB-CB 4.46Å; L174-Q180 HydrophobicContact CD2-CG 4.41Å; L174-Q180 VanDerWaalsContact CD2-NE2 3.32Å; L174-Q180 PolarHBondContact O-N 3.03Å; L174-Y311 HydrophobicContact CB-CD1 4.3Å; L174-Y311 HydrophobicContact CD1-CD1 4.29Å; L174-Y311 HydrophobicContact CD1-CD2 3.84Å; L174-Y311 HydrophobicContact CD1-CE1 4.31Å; L174-Y311 HydrophobicContact CD1-CE2 3.86Å; L174-Y311 HydrophobicContact CD1-CG 4.07Å
175I97.3Very high96.7Very high0 Ų056.5 Ų56.50%027%0.273CS..Hα-helixtrans-80.2-50.1-176.1-68.1160.3000112.3D171 D173 Q180 Y235 F237 E238 Y311D171-I175 PolarHBondContact O-N 2.79Å; D173-I175 VanDerWaalsContact C-N 3.3Å; D173-I175 PolarHBondContact O-N 2.91Å; I175-Q180 WeakPolarHBondContact CA-O 3.49Å; I175-Y235 HydrophobicContact CB-CD2 4.22Å; I175-Y235 HydrophobicContact CD1-CD2 4.07Å; I175-Y235 HydrophobicContact CD1-CE2 4.31Å; I175-Y235 HydrophobicContact CG2-CD2 3.9Å; I175-Y235 HydrophobicContact CG2-CG 4.4Å; I175-F237 HydrophobicContact CG2-CB 4.05Å; I175-F237 HydrophobicContact CG2-CD1 4.27Å; I175-E238 HydrophobicContact CD1-CG 4.28Å; I175-E238 WeakPolarHBondContact CD1-OE1 3.41Å; I175-E238 HydrophobicContact CG2-CG 3.92Å; I175-Y311 HydrophobicContact CD1-CE1 4.01Å; I175-Y311 HydrophobicContact CG1-CD1 4.45Å; I175-Y311 HydrophobicContact CG1-CE1 4.18Å
176T93.6Very high96.8Very high34 Ų3453.1 Ų53.121%0.20926%0.26CS..Hα-helixtrans-83.9-32.3-169.172.70000113.4W172 K179 Y235W172-T176 VanDerWaalsContact CE2-OG1 3.25Å; W172-T176 HydrophobicContact CG-CG2 4.33Å; W172-T176 PolarHBondContact NE1-OG1 2.85Å; W172-T176 VanDerWaalsContact O-CB 3.26Å; W172-T176 WeakPolarHBondContact O-CB 3.3Å; W172-T176 WeakPolarHBondContact O-CG2 3.38Å; W172-T176 PolarHBondContact O-N 3.44Å; W172-T176 PolarHBondContact O-OG1 3.48Å; T176-K179 PolarHBondContact O-NZ 2.91Å; T176-Y235 HydrophobicContact CG2-CD1 4.09Å; T176-Y235 HydrophobicContact CG2-CD2 4.34Å; T176-Y235 HydrophobicContact CG2-CG 3.97Å
177R93Very high96.7Very high169 Ų16957 Ų5764%0.63827%0.27SS*.THydrogen-bonded Turntrans-103.3-51.3-179.5-69.9-175.956.3-1331.9112.5W172 D173 K179W172-R177 HydrophobicContact CH2-CG 4.31Å; W172-R177 HydrophobicContact CZ3-CG 4.4Å; D173-R177 CarbonylContact O-C 3.39Å; D173-R177 WeakPolarHBondContact O-CA 3.29Å; D173-R177 WeakPolarHBondContact O-CB 3.17Å; D173-R177 PolarHBondContact O-N 3.43Å; D173-R177 WeakPolarHBondContact OD1-CD 3.36Å; D173-R177 IonicContact OD1-CZ 3.71Å; D173-R177 IonicContact OD1-NE 2.73Å; D173-R177 IonicContact OD1-NH1 3.84Å; D173-R177 PolarHBondContact OD1-NH1 3.26Å; R177-K179 VanDerWaalsContact C-N 3.31Å; R177-K179 PolarHBondContact O-N 2.78Å
178Q93.1Very high96.8Very high94 Ų9456.6 Ų56.644%0.43927%0.271SS..SBendtrans-80.8-9.1-176.7-50.6-176.728.900114.1D173 L174 Q180D173-Q178 PolarHBondContact O-N 3.09Å; D173-Q178 WeakPolarHBondContact OD2-CG 3.41Å; D173-Q178 PolarHBondContact OD2-NE2 3.41Å; L174-Q178 CarbonylContact O-C 3.42Å; L174-Q178 WeakPolarHBondContact O-CB 3.33Å; L174-Q178 PolarHBondContact O-N 2.98Å; Q178-Q180 VanDerWaalsContact C-N 3.26Å; Q178-Q180 HydrophobicContact CB-CG 4.07Å; Q178-Q180 PolarHBondContact O-N 2.93Å
179K96.6Very high96.8Very high78 Ų7857.1 Ų57.134%0.33927%0.273SS..  trans60.334.3178.9-51-52.5-174-172.40113.7L174 T176 R177 F237 A314L174-K179 PolarHBondContact O-N 3.47Å; T176-K179 PolarHBondContact O-NZ 2.91Å; R177-K179 VanDerWaalsContact C-N 3.31Å; R177-K179 PolarHBondContact O-N 2.78Å; K179-F237 HydrophobicContact CB-CE1 3.93Å; K179-F237 HydrophobicContact CB-CE2 4.46Å; K179-F237 HydrophobicContact CB-CZ 3.75Å; K179-F237 HydrophobicContact CD-CD2 4.19Å; K179-F237 HydrophobicContact CD-CE1 4.34Å; K179-F237 HydrophobicContact CD-CE2 3.99Å; K179-F237 HydrophobicContact CD-CG 4.45Å; K179-F237 HydrophobicContact CD-CZ 4.08Å; K179-F237 HydrophobicContact CG-CZ 4.37Å; K179-F237 WeakPolarHBondContact O-CE1 3.34Å; K179-A314 VanDerWaalsContact O-CB 3.31Å; K179-A314 WeakPolarHBondContact O-CB 3.42Å; K179-A314 PolarHBondContact O-N 3.48Å
180Q97.8Very high96.9Very high30 Ų3052.9 Ų52.914%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-85.6160.5169.5-51.1-162.337.400111.1L174 I175 Q178 E312 V313L174-Q180 HydrophobicContact CB-CB 4.46Å; L174-Q180 HydrophobicContact CD2-CG 4.41Å; L174-Q180 VanDerWaalsContact CD2-NE2 3.32Å; L174-Q180 PolarHBondContact O-N 3.03Å; I175-Q180 WeakPolarHBondContact CA-O 3.49Å; Q178-Q180 VanDerWaalsContact C-N 3.26Å; Q178-Q180 HydrophobicContact CB-CG 4.07Å; Q178-Q180 PolarHBondContact O-N 2.93Å; Q180-E312 CarbonylContact C-O 3.48Å; Q180-E312 WeakPolarHBondContact CA-O 3.35Å; Q180-E312 WeakPolarHBondContact CB-O 3.39Å; Q180-V313 HydrophobicContact CG-CG2 4.17Å
181L98.2Very high97Very high8 Ų850.5 Ų50.54%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-125.9146.5170.6-64.2168.1000108.5F237 E238 Y311 E312 A314 Y318L181-F237 HydrophobicContact CD2-CD1 3.85Å; L181-F237 HydrophobicContact CD2-CE1 3.99Å; L181-F237 HydrophobicContact CG-CE1 4.2Å; L181-E238 HydrophobicContact CD2-CG 4.34Å; L181-Y311 CarbonylContact O-C 3.54Å; L181-Y311 WeakPolarHBondContact O-CA 3.31Å; L181-E312 PolarHBondContact N-O 2.65Å; L181-E312 PolarHBondContact O-N 2.88Å; L181-A314 HydrophobicContact CD1-CB 3.84Å; L181-A314 HydrophobicContact CG-CB 4.07Å; L181-Y318 HydrophobicContact CD1-CD1 3.9Å; L181-Y318 HydrophobicContact CD1-CD2 3.85Å; L181-Y318 HydrophobicContact CD1-CE1 3.66Å; L181-Y318 HydrophobicContact CD1-CE2 3.6Å; L181-Y318 HydrophobicContact CD1-CG 4Å; L181-Y318 HydrophobicContact CD2-CE1 3.96Å; L181-Y318 HydrophobicContact CG-CE1 4.27Å
182F98.3Very high97Very high12 Ų1251.8 Ų51.85%0.05325%0.246CC..EExtended strand (participates in β ladder)trans-70.7138.1169.9-172.9-96.7000109.5L184 A186 Q241 P261 H262 D310 Y311F182-L184 HydrophobicContact CD1-CD2 3.82Å; F182-L184 HydrophobicContact CE1-CD2 4.32Å; F182-L184 PolarHBondContact O-N 3.13Å; F182-A186 HydrophobicContact CE1-CB 3.77Å; F182-A186 HydrophobicContact CZ-CB 4.43Å; F182-Q241 PolarHBondContact O-NE2 3.28Å; F182-P261 HydrophobicContact CD2-CG 4Å; F182-P261 HydrophobicContact CE2-CG 3.72Å; F182-P261 HydrophobicContact CZ-CG 4.41Å; F182-H262 AromaticContact CG-CE1 3.96Å; F182-D310 WeakPolarHBondContact CA-O 3.36Å; F182-D310 HydrophobicContact CD2-CB 4.1Å; F182-D310 WeakPolarHBondContact CD2-O 3.38Å; F182-D310 HydrophobicContact CE2-CB 3.53Å; F182-D310 HydrophobicContact CZ-CB 4.16Å; F182-Y311 HydrophobicContact CB-CD1 4.02Å; F182-Y311 HydrophobicContact CB-CE1 3.83Å; F182-Y311 HydrophobicContact CD2-CD1 4.42Å; F182-Y311 HydrophobicContact CD2-CD2 4.22Å; F182-Y311 HydrophobicContact CD2-CE1 4.03Å; F182-Y311 AromaticContact CD2-CE2 3.83Å; F182-Y311 HydrophobicContact CD2-CE2 3.83Å; F182-Y311 HydrophobicContact CD2-CG 4.5Å; F182-Y311 AromaticContact CD2-CZ 3.71Å; F182-Y311 HydrophobicContact CE2-CE2 4.44Å; F182-Y311 HydrophobicContact CG-CE1 4.43Å
183H97.9Very high97.1Very high56 Ų5646.2 Ų46.226%0.25923%0.225SC..  trans-64.2126.5177.8-67.5-59.5000111.1D310 E312H183-D310 PolarHBondContact CD2-O 2.9Å; H183-D310 PolarHBondContact N-O 3.19Å; H183-E312 IonicContact CE1-OE1 3.41Å; H183-E312 PolarHBondContact CE1-OE1 3.48Å; H183-E312 IonicContact CE1-OE2 3.43Å; H183-E312 PolarHBondContact CE1-OE2 3.32Å; H183-E312 IonicContact CG-OE1 3.7Å; H183-E312 IonicContact ND1-OE1 2.77Å; H183-E312 PolarHBondContact ND1-OE1 3.17Å; H183-E312 IonicContact ND1-OE2 3.64Å
184L97.6Very high97.2Very high34 Ų3445 Ų4518%0.17822%0.219CC..SBendtrans-125.5140.6176-60.6177.4000110.6F182 Q241 I245 I257 Y258F182-L184 HydrophobicContact CD1-CD2 3.82Å; F182-L184 HydrophobicContact CE1-CD2 4.32Å; F182-L184 PolarHBondContact O-N 3.13Å; L184-Q241 VanDerWaalsContact CD1-CD 3.47Å; L184-Q241 HydrophobicContact CD1-CG 3.97Å; L184-I245 HydrophobicContact CB-CD1 4.17Å; L184-I245 HydrophobicContact CD1-CD1 4.47Å; L184-I245 HydrophobicContact CD1-CG1 4.08Å; L184-I257 HydrophobicContact CB-CG2 4.31Å; L184-I257 HydrophobicContact CD2-CG2 4.37Å; L184-I257 WeakPolarHBondContact CD2-O 3.36Å; L184-Y258 HydrophobicContact CD1-CD1 4.03Å; L184-Y258 HydrophobicContact CD1-CE1 3.4Å; L184-Y258 HydrophobicContact CD1-CE2 3.98Å; L184-Y258 HydrophobicContact CD2-CD1 3.78Å; L184-Y258 HydrophobicContact CD2-CD2 4.47Å; L184-Y258 HydrophobicContact CD2-CE1 4.04Å; L184-Y258 HydrophobicContact CD2-CG 4.02Å; L184-Y258 HydrophobicContact CG-CE1 4.36Å
185P97.5Very high97.2Very high82 Ų8250 Ų5053%0.53224%0.242SC..SBendcis-65.2146.8-4.6-21.634.7000113.6K187P185-K187 PolarHBondContact O-N 2.69Å
186A97.8Very high97.2Very high12 Ų1253.2 Ų53.210%0.09926%0.259CS..  trans-66.4130.2-174.600000112.1F182 K188 N189 I257F182-A186 HydrophobicContact CE1-CB 3.77Å; F182-A186 HydrophobicContact CZ-CB 4.43Å; A186-K188 PolarHBondContact O-N 2.66Å; A186-N189 HydrophobicContact CB-CB 4.34Å; A186-I257 VanDerWaalsContact CB-O 3.26Å; A186-I257 WeakPolarHBondContact CB-O 3.11Å; A186-I257 PolarHBondContact N-O 2.9Å
187K95.8Very high97.3Very high150 Ų15051.6 Ų51.665%0.65225%0.249SC*.SBendtrans-51.4-32.8173.8-59.6171.4-168161.10112.7P185 D310P185-K187 PolarHBondContact O-N 2.69Å; K187-D310 WeakPolarHBondContact CD-OD1 3.4Å; K187-D310 WeakPolarHBondContact CE-OD1 3.48Å; K187-D310 IonicContact NZ-OD1 2.82Å; K187-D310 PolarHBondContact NZ-OD1 3.07Å
188K97.5Very high97.4Very high73 Ų7343.8 Ų43.832%0.31722%0.221SC..SBendtrans-136.4104.4168.7-172171.1-174.6168.70108.8A186 A192 V193 D196 L305A186-K188 PolarHBondContact O-N 2.66Å; K188-A192 HydrophobicContact CG-CB 4.11Å; K188-V193 HydrophobicContact CD-CG2 4.25Å; K188-V193 HydrophobicContact CG-CG2 4.04Å; K188-D196 VanDerWaalsContact CE-OD2 3.27Å; K188-D196 WeakPolarHBondContact CE-OD2 3.28Å; K188-D196 IonicContact NZ-OD2 2.7Å; K188-D196 PolarHBondContact NZ-OD2 3.44Å; K188-L305 HydrophobicContact CD-CD2 4.14Å
189N98.5Very high97.4Very high40 Ų4043 Ų4321%0.21422%0.22CC..BIsolated β-bridgetrans-80.2168.7-176.764.618.4000112.7A186 D191 A192 V193 S255 Q256 Y258A186-N189 HydrophobicContact CB-CB 4.34Å; N189-D191 PolarHBondContact O-N 3.49Å; N189-D191 PolarHBondContact OD1-N 2.98Å; N189-A192 PolarHBondContact O-N 2.93Å; N189-A192 WeakPolarHBondContact OD1-CB 3.4Å; N189-A192 PolarHBondContact OD1-N 3.15Å; N189-V193 WeakPolarHBondContact O-CG2 3.37Å; N189-V193 PolarHBondContact O-N 2.79Å; N189-V193 VanDerWaalsContact O-N 3.17Å; N189-S255 WeakPolarHBondContact CB-O 3.47Å; N189-Q256 VanDerWaalsContact CB-O 3.29Å; N189-Q256 WeakPolarHBondContact CB-O 3.4Å; N189-Q256 WeakPolarHBondContact ND2-CA 3.4Å; N189-Q256 PolarHBondContact ND2-O 3.13Å; N189-Y258 CarbonylContact C-O 3.56Å; N189-Y258 WeakPolarHBondContact CA-O 3.28Å
190V98.7Very high97.2Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-55.1-39.7178.7169.10000112V193 L194 F225 S255 Y258 L263V190-V193 PolarHBondContact O-N 3.15Å; V190-L194 HydrophobicContact CG1-CD1 3.66Å; V190-L194 HydrophobicContact CG1-CG 4.08Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 VanDerWaalsContact O-CG 3.32Å; V190-L194 WeakPolarHBondContact O-CG 3.49Å; V190-L194 PolarHBondContact O-N 3.08Å; V190-F225 HydrophobicContact CB-CD1 4.31Å; V190-F225 HydrophobicContact CB-CE1 4.25Å; V190-F225 HydrophobicContact CG1-CD1 4.15Å; V190-F225 HydrophobicContact CG1-CG 4.31Å; V190-F225 HydrophobicContact CG2-CD1 3.99Å; V190-F225 HydrophobicContact CG2-CD2 4.44Å; V190-F225 HydrophobicContact CG2-CE1 3.58Å; V190-F225 HydrophobicContact CG2-CE2 4.1Å; V190-F225 HydrophobicContact CG2-CG 4.4Å; V190-F225 HydrophobicContact CG2-CZ 3.64Å; V190-S255 WeakPolarHBondContact CB-O 3.45Å; V190-S255 PolarHBondContact N-O 3.49Å; V190-S255 VanDerWaalsContact N-O 3.12Å; V190-Y258 WeakPolarHBondContact CG2-O 3.29Å; V190-Y258 PolarHBondContact N-O 2.73Å; V190-L263 HydrophobicContact CB-CD2 4.46Å; V190-L263 HydrophobicContact CG1-CD1 3.8Å; V190-L263 HydrophobicContact CG1-CD2 3.97Å; V190-L263 HydrophobicContact CG1-CG 4.36Å; V190-L263 HydrophobicContact CG2-CB 3.84Å; V190-L263 HydrophobicContact CG2-CD1 4.36Å; V190-L263 HydrophobicContact CG2-CD2 4.26Å; V190-L263 HydrophobicContact CG2-CG 4.37Å
191D98.6Very high96.9Very high26 Ų2642.7 Ų42.714%0.13922%0.217CC..Hα-helixtrans-61.8-44.9179.7-81.2-42.6000113.2N189 V193 L194 E195 R222 S255 Q256N189-D191 PolarHBondContact O-N 3.49Å; N189-D191 PolarHBondContact OD1-N 2.98Å; D191-V193 VanDerWaalsContact C-N 3.33Å; D191-V193 PolarHBondContact O-N 3.43Å; D191-L194 PolarHBondContact O-N 2.89Å; D191-E195 WeakPolarHBondContact O-CB 3.49Å; D191-E195 PolarHBondContact O-N 3.16Å; D191-R222 IonicContact OD1-CZ 3.42Å; D191-R222 IonicContact OD1-NE 2.63Å; D191-R222 PolarHBondContact OD1-NE 2.95Å; D191-R222 IonicContact OD1-NH2 2.97Å; D191-R222 PolarHBondContact OD1-NH2 3.29Å; D191-S255 PolarHBondContact N-O 2.89Å; D191-S255 PolarHBondContact OD1-OG 3.45Å; D191-S255 VanDerWaalsContact OD2-CB 3.24Å; D191-S255 WeakPolarHBondContact OD2-CB 3.4Å; D191-S255 PolarHBondContact OD2-OG 2.9Å; D191-Q256 WeakPolarHBondContact OD2-CG 3.34Å
192A98.5Very high96.4Very high32 Ų3246.1 Ų46.126%0.26423%0.232SC..Hα-helixtrans-63.9-36.1174.100000112.6K188 N189 D196K188-A192 HydrophobicContact CG-CB 4.11Å; N189-A192 PolarHBondContact O-N 2.93Å; N189-A192 WeakPolarHBondContact OD1-CB 3.4Å; N189-A192 PolarHBondContact OD1-N 3.15Å; A192-D196 WeakPolarHBondContact O-CB 3.45Å; A192-D196 PolarHBondContact O-N 3.19Å
193V98.6Very high95.8Very high0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-68.1-37.9176.1178.60000111.7K188 N189 V190 D191 Y197 A260 L263 F294 L298 L305K188-V193 HydrophobicContact CD-CG2 4.25Å; K188-V193 HydrophobicContact CG-CG2 4.04Å; N189-V193 WeakPolarHBondContact O-CG2 3.37Å; N189-V193 PolarHBondContact O-N 2.79Å; N189-V193 VanDerWaalsContact O-N 3.17Å; V190-V193 PolarHBondContact O-N 3.15Å; D191-V193 VanDerWaalsContact C-N 3.33Å; D191-V193 PolarHBondContact O-N 3.43Å; V193-Y197 PolarHBondContact O-N 3.27Å; V193-A260 HydrophobicContact CG2-CB 4.43Å; V193-L263 HydrophobicContact CB-CD2 4.35Å; V193-L263 HydrophobicContact CG1-CD2 4.01Å; V193-F294 HydrophobicContact CG1-CZ 4.25Å; V193-L298 HydrophobicContact CG1-CD2 3.96Å; V193-L305 HydrophobicContact CG1-CD1 4.38Å; V193-L305 HydrophobicContact CG1-CD2 4.3Å; V193-L305 HydrophobicContact CG2-CD2 3.71Å
194L98.4Very high95Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-72.5-39.1177-72.2175.4000112.3V190 D191 Y197 G198 V218 I221 R222 F294V190-L194 HydrophobicContact CG1-CD1 3.66Å; V190-L194 HydrophobicContact CG1-CG 4.08Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 VanDerWaalsContact O-CG 3.32Å; V190-L194 WeakPolarHBondContact O-CG 3.49Å; V190-L194 PolarHBondContact O-N 3.08Å; D191-L194 PolarHBondContact O-N 2.89Å; L194-Y197 PolarHBondContact O-N 3.23Å; L194-G198 PolarHBondContact O-N 3Å; L194-V218 HydrophobicContact CB-CG1 4Å; L194-V218 HydrophobicContact CD2-CG2 4.45Å; L194-I221 HydrophobicContact CD1-CG2 4.38Å; L194-I221 HydrophobicContact CD2-CB 4.09Å; L194-I221 HydrophobicContact CD2-CD1 4.37Å; L194-I221 HydrophobicContact CD2-CG2 3.77Å; L194-R222 HydrophobicContact CD1-CB 3.85Å; L194-F294 HydrophobicContact CD2-CE2 3.78Å; L194-F294 HydrophobicContact CD2-CZ 3.8Å
195E97.4Very high93.6Very high120 Ų12056 Ų5656%0.56129%0.289SS*.Hα-helixtrans-64.5-48.2174.3178.3167.3-153.400111.8D191 Y197 G198 N199D191-E195 WeakPolarHBondContact O-CB 3.49Å; D191-E195 PolarHBondContact O-N 3.16Å; E195-Y197 VanDerWaalsContact C-N 3.26Å; E195-Y197 PolarHBondContact O-N 3.12Å; E195-G198 PolarHBondContact O-N 3.03Å; E195-G198 VanDerWaalsContact O-N 3.08Å; E195-N199 WeakPolarHBondContact CG-ND2 3.16Å; E195-N199 PolarHBondContact O-N 3.19Å; E195-N199 PolarHBondContact O-ND2 3.32Å
196D97.5Very high92Very high67 Ų6760.5 Ų60.536%0.35831%0.308SS..Hα-helixtrans-58.7-38175.8-84-19.2000112.2K188 A192 Y200 Y297K188-D196 VanDerWaalsContact CE-OD2 3.27Å; K188-D196 WeakPolarHBondContact CE-OD2 3.28Å; K188-D196 IonicContact NZ-OD2 2.7Å; K188-D196 PolarHBondContact NZ-OD2 3.44Å; A192-D196 WeakPolarHBondContact O-CB 3.45Å; A192-D196 PolarHBondContact O-N 3.19Å; D196-Y200 WeakPolarHBondContact O-CB 3.26Å; D196-Y200 PolarHBondContact O-N 3.33Å; D196-Y297 VanDerWaalsContact CB-OH 3.23Å; D196-Y297 WeakPolarHBondContact CB-OH 3.38Å
197Y96.8Very high90.9Very high0 Ų062.2 Ų62.20%032%0.32CS..Hα-helixtrans-64.8-47.5172.8169.3-104000111.5V193 L194 E195 N199 Y200 K201 V214 V218 D293 F294 Y297V193-Y197 PolarHBondContact O-N 3.27Å; L194-Y197 PolarHBondContact O-N 3.23Å; E195-Y197 VanDerWaalsContact C-N 3.26Å; E195-Y197 PolarHBondContact O-N 3.12Å; Y197-N199 VanDerWaalsContact C-N 3.34Å; Y197-N199 PolarHBondContact O-N 2.82Å; Y197-Y200 WeakPolarHBondContact O-CB 3.4Å; Y197-Y200 PolarHBondContact O-N 2.8Å; Y197-K201 HydrophobicContact CD1-CG 4.42Å; Y197-K201 HydrophobicContact CD2-CD 4.4Å; Y197-K201 HydrophobicContact CD2-CG 4.13Å; Y197-K201 HydrophobicContact CE1-CG 4.04Å; Y197-K201 HydrophobicContact CE2-CD 3.67Å; Y197-K201 HydrophobicContact CE2-CG 3.71Å; Y197-K201 HydrophobicContact CG-CG 4.48Å; Y197-K201 WeakPolarHBondContact O-CG 3.45Å; Y197-K201 PolarHBondContact O-N 3.29Å; Y197-V214 HydrophobicContact CD1-CG1 4.44Å; Y197-V214 HydrophobicContact CE1-CG1 3.99Å; Y197-V218 HydrophobicContact CD1-CG2 3.76Å; Y197-V218 HydrophobicContact CE1-CG2 4.17Å; Y197-D293 PolarHBondContact OH-OD2 2.95Å; Y197-F294 AromaticContact CD1-CD2 3.57Å; Y197-F294 HydrophobicContact CD1-CD2 3.57Å; Y197-F294 HydrophobicContact CD1-CE2 4.04Å; Y197-F294 AromaticContact CD2-CD2 3.68Å; Y197-F294 HydrophobicContact CD2-CD2 3.68Å; Y197-F294 HydrophobicContact CD2-CE2 4.31Å; Y197-F294 HydrophobicContact CE1-CB 4.5Å; Y197-F294 AromaticContact CE1-CD2 3.87Å; Y197-F294 HydrophobicContact CE1-CD2 3.87Å; Y197-F294 HydrophobicContact CE2-CB 4.2Å; Y197-F294 AromaticContact CE2-CD2 3.98Å; Y197-F294 HydrophobicContact CE2-CD2 3.98Å; Y197-F294 AromaticContact CG-CD2 3.44Å; Y197-F294 HydrophobicContact CG-CD2 3.44Å; Y197-F294 VanDerWaalsContact CG-CD2 3.44Å; Y197-F294 AromaticContact CG-CE2 3.78Å; Y197-F294 HydrophobicContact CG-CE2 3.78Å; Y197-Y297 HydrophobicContact CD2-CD1 4.08Å; Y197-Y297 HydrophobicContact CD2-CD2 4.05Å; Y197-Y297 AromaticContact CD2-CG 3.69Å; Y197-Y297 HydrophobicContact CD2-CG 3.69Å; Y197-Y297 HydrophobicContact CG-CG 4.5Å
198G94.4Very high89.9Confident6 Ų661.8 Ų61.86%0.06232%0.324CS..Hα-helixtrans-53.3-51.4175.500000111.6L194 E195 Y200 K201 K202L194-G198 PolarHBondContact O-N 3Å; E195-G198 PolarHBondContact O-N 3.03Å; E195-G198 VanDerWaalsContact O-N 3.08Å; G198-Y200 PolarHBondContact O-N 3.15Å; G198-K201 PolarHBondContact O-N 3.12Å; G198-K201 VanDerWaalsContact O-N 3.07Å; G198-K202 WeakPolarHBondContact O-CG 3.23Å; G198-K202 PolarHBondContact O-N 2.87Å
199N93.7Very high89Confident76 Ų7662.7 Ų62.741%0.40634%0.34SS..Hα-helixtrans-64.2-36.2178.4-67.9-28.9000112.8E195 Y197 K201 K202 S203E195-N199 WeakPolarHBondContact CG-ND2 3.16Å; E195-N199 PolarHBondContact O-N 3.19Å; E195-N199 PolarHBondContact O-ND2 3.32Å; Y197-N199 VanDerWaalsContact C-N 3.34Å; Y197-N199 PolarHBondContact O-N 2.82Å; N199-K201 VanDerWaalsContact C-N 3.32Å; N199-K201 PolarHBondContact O-N 3.5Å; N199-K202 PolarHBondContact O-N 3Å; N199-S203 WeakPolarHBondContact O-CB 3.41Å; N199-S203 PolarHBondContact O-N 3.23Å; N199-S203 PolarHBondContact O-OG 3.39Å
200Y91.8Very high88.2Confident52 Ų5267.1 Ų67.120%0.20436%0.357CS..Hα-helixtrans-64.8-31171.4169.8-105.3000113.5D196 Y197 G198 S203 R204 Y297D196-Y200 WeakPolarHBondContact O-CB 3.26Å; D196-Y200 PolarHBondContact O-N 3.33Å; Y197-Y200 WeakPolarHBondContact O-CB 3.4Å; Y197-Y200 PolarHBondContact O-N 2.8Å; G198-Y200 PolarHBondContact O-N 3.15Å; Y200-S203 WeakPolarHBondContact CA-OG 3.1Å; Y200-S203 PolarHBondContact O-OG 3.01Å; Y200-R204 PolarHBondContact OH-NH1 3.41Å; Y200-Y297 AromaticContact CD1-CD2 3.46Å; Y200-Y297 HydrophobicContact CD1-CD2 3.46Å; Y200-Y297 VanDerWaalsContact CD1-CD2 3.46Å; Y200-Y297 AromaticContact CD1-CE2 4Å; Y200-Y297 HydrophobicContact CD1-CE2 4Å; Y200-Y297 HydrophobicContact CD1-CG 4.48Å; Y200-Y297 AromaticContact CE1-CD2 3.91Å; Y200-Y297 HydrophobicContact CE1-CD2 3.91Å; Y200-Y297 AromaticContact CG-CD2 3.89Å; Y200-Y297 HydrophobicContact CG-CD2 3.89Å; Y200-Y297 AromaticContact CG-CE2 3.95Å; Y200-Y297 HydrophobicContact CG-CE2 3.95Å
201K91.1Very high87.6Confident51 Ų5170.6 Ų70.622%0.22237%0.373CS..Hα-helixtrans-77.8-43.7174.7-63.2-62.9-71.1-169.90111.9Y197 G198 N199 R204 G205 V214 D293Y197-K201 HydrophobicContact CD1-CG 4.42Å; Y197-K201 HydrophobicContact CD2-CD 4.4Å; Y197-K201 HydrophobicContact CD2-CG 4.13Å; Y197-K201 HydrophobicContact CE1-CG 4.04Å; Y197-K201 HydrophobicContact CE2-CD 3.67Å; Y197-K201 HydrophobicContact CE2-CG 3.71Å; Y197-K201 HydrophobicContact CG-CG 4.48Å; Y197-K201 WeakPolarHBondContact O-CG 3.45Å; Y197-K201 PolarHBondContact O-N 3.29Å; G198-K201 PolarHBondContact O-N 3.12Å; G198-K201 VanDerWaalsContact O-N 3.07Å; N199-K201 VanDerWaalsContact C-N 3.32Å; N199-K201 PolarHBondContact O-N 3.5Å; K201-R204 CarbonylContact O-C 3.56Å; K201-R204 PolarHBondContact O-N 3.4Å; K201-R204 VanDerWaalsContact O-N 3.08Å; K201-G205 PolarHBondContact O-N 3.34Å; K201-V214 HydrophobicContact CB-CB 4.49Å; K201-V214 HydrophobicContact CB-CG1 3.95Å; K201-V214 HydrophobicContact CB-CG2 3.99Å; K201-V214 HydrophobicContact CG-CG1 3.98Å; K201-V214 HydrophobicContact CG-CG2 4.01Å; K201-D293 WeakPolarHBondContact CD-OD2 3.09Å; K201-D293 WeakPolarHBondContact CE-OD2 3.41Å; K201-D293 IonicContact NZ-OD1 2.86Å; K201-D293 PolarHBondContact NZ-OD1 3.29Å; K201-D293 IonicContact NZ-OD2 2.63Å; K201-D293 PolarHBondContact NZ-OD2 2.86Å
202K87.6Confident87.1Confident80 Ų8075.6 Ų75.635%0.34839%0.394SS..Hα-helixtrans-57.1-50.4176-65.4-178.6-164-150.30111.5G198 N199 R204 G205 E211G198-K202 WeakPolarHBondContact O-CG 3.23Å; G198-K202 PolarHBondContact O-N 2.87Å; N199-K202 PolarHBondContact O-N 3Å; K202-R204 PolarHBondContact O-N 3.26Å; K202-G205 PolarHBondContact O-N 3.44Å; K202-G205 VanDerWaalsContact O-N 3.16Å; K202-E211 HydrophobicContact CD-CG 4.26Å; K202-E211 WeakPolarHBondContact CD-OE1 3.15Å; K202-E211 WeakPolarHBondContact CE-OE1 3.13Å; K202-E211 HydrophobicContact CG-CG 4.01Å; K202-E211 IonicContact NZ-OE1 3.62Å; K202-E211 PolarHBondContact NZ-OE1 2.91Å
203S86.9Confident86.7Confident95 Ų9575.1 Ų75.166%0.66439%0.391SS*.THydrogen-bonded Turntrans-64.6-0.5176.556.30000115.4N199 Y200N199-S203 WeakPolarHBondContact O-CB 3.41Å; N199-S203 PolarHBondContact O-N 3.23Å; N199-S203 PolarHBondContact O-OG 3.39Å; Y200-S203 WeakPolarHBondContact CA-OG 3.1Å; Y200-S203 PolarHBondContact O-OG 3.01Å
204R81.4Confident86.5Confident182 Ų18275.3 Ų75.369%0.68739%0.392SS*.THydrogen-bonded Turntrans-124.88.9176.5-74.6-170.5161.1-144.4-7.5114.5Y200 K201 K202Y200-R204 PolarHBondContact OH-NH1 3.41Å; K201-R204 CarbonylContact O-C 3.56Å; K201-R204 PolarHBondContact O-N 3.4Å; K201-R204 VanDerWaalsContact O-N 3.08Å; K202-R204 PolarHBondContact O-N 3.26Å
205G68.3Low86.2Confident32 Ų3278.2 Ų78.233%0.3341%0.407SS..  trans-152.1112.5-174.900000115.7K201 K202 S207K201-G205 PolarHBondContact O-N 3.34Å; K202-G205 PolarHBondContact O-N 3.44Å; K202-G205 VanDerWaalsContact O-N 3.16Å; G205-S207 VanDerWaalsContact C-N 3.27Å; G205-S207 PolarHBondContact O-N 2.66Å
206N61.9Low86.1Confident177 Ų17777.9 Ų77.995%0.94741%0.406SS*.  trans-82.560174.4-61.222000111.6
207S75.9Confident85.9Confident48 Ų4875.4 Ų75.434%0.33639%0.393SS..  trans-158.1111.1177.1-173.90000113.1G205 S209 K210 E211G205-S207 VanDerWaalsContact C-N 3.27Å; G205-S207 PolarHBondContact O-N 2.66Å; S207-S209 PolarHBondContact O-N 2.89Å; S207-K210 WeakPolarHBondContact O-CA 3.44Å; S207-K210 WeakPolarHBondContact O-CB 3.35Å; S207-K210 PolarHBondContact O-N 3.36Å; S207-E211 PolarHBondContact O-N 3.42Å; S207-E211 VanDerWaalsContact O-N 3.13Å
208D74.8Confident85.9Confident141 Ų14176.1 Ų76.175%0.75440%0.397SS*.Hα-helixtrans-55.6-37.4-175.9-34.3-19.1000112.3K210 E211 F212D208-K210 VanDerWaalsContact C-N 3.28Å; D208-K210 PolarHBondContact O-N 2.84Å; D208-E211 PolarHBondContact O-N 3.21Å; D208-F212 PolarHBondContact O-N 3.31Å
209S78.4Confident86Confident92 Ų9277.9 Ų77.964%0.64341%0.411SS*.Hα-helixtrans-62.7-31.3175.5172.30000113.1S207 A213S207-S209 PolarHBondContact O-N 2.89Å; S209-A213 WeakPolarHBondContact O-CB 3.45Å; S209-A213 PolarHBondContact O-N 2.96Å
210K81.4Confident86.1Confident132 Ų13275.6 Ų75.657%0.57441%0.405SS*.Hα-helixtrans-80.6-33.8173.8-64.8-177.4-179.41760111.9S207 D208 V214S207-K210 WeakPolarHBondContact O-CA 3.44Å; S207-K210 WeakPolarHBondContact O-CB 3.35Å; S207-K210 PolarHBondContact O-N 3.36Å; D208-K210 VanDerWaalsContact C-N 3.28Å; D208-K210 PolarHBondContact O-N 2.84Å; K210-V214 WeakPolarHBondContact O-CB 3.29Å; K210-V214 VanDerWaalsContact O-CG2 3.31Å; K210-V214 WeakPolarHBondContact O-CG2 3.21Å; K210-V214 PolarHBondContact O-N 3.36Å
211E86.6Confident86.4Confident73 Ų7373.2 Ų73.234%0.34140%0.396SS..Hα-helixtrans-63.1-49172.5178.2170.1163.600110.8K202 S207 D208 A213 V214 N215K202-E211 HydrophobicContact CD-CG 4.26Å; K202-E211 WeakPolarHBondContact CD-OE1 3.15Å; K202-E211 WeakPolarHBondContact CE-OE1 3.13Å; K202-E211 HydrophobicContact CG-CG 4.01Å; K202-E211 IonicContact NZ-OE1 3.62Å; K202-E211 PolarHBondContact NZ-OE1 2.91Å; S207-E211 PolarHBondContact O-N 3.42Å; S207-E211 VanDerWaalsContact O-N 3.13Å; D208-E211 PolarHBondContact O-N 3.21Å; E211-A213 PolarHBondContact O-N 3.42Å; E211-V214 PolarHBondContact O-N 3.15Å; E211-V214 VanDerWaalsContact O-N 3.11Å; E211-N215 PolarHBondContact O-N 3.28Å; E211-N215 PolarHBondContact O-ND2 2.88Å; E211-N215 PolarHBondContact O-OD1 2.96Å
212F88.2Confident86.8Confident131 Ų13174.5 Ų74.558%0.57540%0.4SS*.Hα-helixtrans-54.4-50.9175.6-178.1-95.7000111.5D208 V214 N215 E216D208-F212 PolarHBondContact O-N 3.31Å; F212-V214 VanDerWaalsContact C-N 3.29Å; F212-V214 PolarHBondContact O-N 3.37Å; F212-N215 PolarHBondContact O-N 3.45Å; F212-N215 VanDerWaalsContact O-N 3.13Å; F212-E216 HydrophobicContact CD1-CG 4.04Å; F212-E216 HydrophobicContact CE1-CG 3.57Å; F212-E216 HydrophobicContact CE2-CG 4.33Å; F212-E216 HydrophobicContact CZ-CG 3.73Å; F212-E216 WeakPolarHBondContact O-CG 3.4Å; F212-E216 PolarHBondContact O-N 3.24Å
213A90.4Very high87.2Confident23 Ų2376 Ų7619%0.1941%0.408CS..Hα-helixtrans-62.7-31.1178.400000113.8S209 E211 V217 Y290S209-A213 WeakPolarHBondContact O-CB 3.45Å; S209-A213 PolarHBondContact O-N 2.96Å; E211-A213 PolarHBondContact O-N 3.42Å; A213-V217 VanDerWaalsContact O-CG2 3.29Å; A213-V217 WeakPolarHBondContact O-CG2 3.44Å; A213-V217 PolarHBondContact O-N 3.24Å; A213-Y290 HydrophobicContact CB-CE2 3.93Å; A213-Y290 WeakPolarHBondContact CB-OH 3.31Å
214V93.2Very high87.6Confident4 Ų474.2 Ų74.22%0.02439%0.387CS..Hα-helixtrans-71.1-42.6172.6165.10000111.3Y197 K201 K210 E211 F212 V217 V218 Y290Y197-V214 HydrophobicContact CD1-CG1 4.44Å; Y197-V214 HydrophobicContact CE1-CG1 3.99Å; K201-V214 HydrophobicContact CB-CB 4.49Å; K201-V214 HydrophobicContact CB-CG1 3.95Å; K201-V214 HydrophobicContact CB-CG2 3.99Å; K201-V214 HydrophobicContact CG-CG1 3.98Å; K201-V214 HydrophobicContact CG-CG2 4.01Å; K210-V214 WeakPolarHBondContact O-CB 3.29Å; K210-V214 VanDerWaalsContact O-CG2 3.31Å; K210-V214 WeakPolarHBondContact O-CG2 3.21Å; K210-V214 PolarHBondContact O-N 3.36Å; E211-V214 PolarHBondContact O-N 3.15Å; E211-V214 VanDerWaalsContact O-N 3.11Å; F212-V214 VanDerWaalsContact C-N 3.29Å; F212-V214 PolarHBondContact O-N 3.37Å; V214-V217 PolarHBondContact O-N 3.25Å; V214-V218 HydrophobicContact CG1-CG2 4.49Å; V214-V218 WeakPolarHBondContact O-CB 3.43Å; V214-V218 WeakPolarHBondContact O-CG2 3.48Å; V214-V218 PolarHBondContact O-N 3.09Å; V214-Y290 HydrophobicContact CG2-CD1 4.22Å; V214-Y290 HydrophobicContact CG2-CE1 3.83Å
215N92.9Very high88.5Confident61 Ų6165.6 Ų65.633%0.32635%0.354SS..Hα-helixtrans-62.4-43.7178.4-63.3-21.9000111E211 F212 V218 A219E211-N215 PolarHBondContact O-N 3.28Å; E211-N215 PolarHBondContact O-ND2 2.88Å; E211-N215 PolarHBondContact O-OD1 2.96Å; F212-N215 PolarHBondContact O-N 3.45Å; F212-N215 VanDerWaalsContact O-N 3.13Å; N215-V218 PolarHBondContact O-N 3.47Å; N215-A219 WeakPolarHBondContact O-CB 3.18Å; N215-A219 PolarHBondContact O-N 3.07Å
216E94.1Very high89.8Confident113 Ų11365.8 Ų65.853%0.52835%0.348SS..Hα-helixtrans-60.2-45174.9-70.8-68.992.300112.1F212 A219 G220F212-E216 HydrophobicContact CD1-CG 4.04Å; F212-E216 HydrophobicContact CE1-CG 3.57Å; F212-E216 HydrophobicContact CE2-CG 4.33Å; F212-E216 HydrophobicContact CZ-CG 3.73Å; F212-E216 WeakPolarHBondContact O-CG 3.4Å; F212-E216 PolarHBondContact O-N 3.24Å; E216-A219 PolarHBondContact O-N 2.88Å; E216-G220 PolarHBondContact O-N 3.37Å
217V94.6Very high91.4Very high15 Ų1561.7 Ų61.79%0.09133%0.329CS..Hα-helixtrans-67-37.8177.2171.20000111.5A213 V214 G220 I221 L287 Y290 L291A213-V217 VanDerWaalsContact O-CG2 3.29Å; A213-V217 WeakPolarHBondContact O-CG2 3.44Å; A213-V217 PolarHBondContact O-N 3.24Å; V214-V217 PolarHBondContact O-N 3.25Å; V217-G220 PolarHBondContact O-N 2.88Å; V217-I221 HydrophobicContact CG1-CD1 3.74Å; V217-I221 HydrophobicContact CG1-CG1 4.33Å; V217-I221 WeakPolarHBondContact O-CD1 3.39Å; V217-I221 VanDerWaalsContact O-CG1 3.22Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; V217-I221 PolarHBondContact O-N 2.89Å; V217-L287 HydrophobicContact CG2-CD1 3.9Å; V217-Y290 HydrophobicContact CG2-CD2 4.12Å; V217-Y290 HydrophobicContact CG2-CG 4.15Å; V217-L291 HydrophobicContact CG1-CD2 4.25Å
218V97Very high92.3Very high14 Ų1459.4 Ų59.49%0.08531%0.313CS..Hα-helixtrans-62.3-45.8173.6155.60000111.4L194 Y197 V214 N215 I221 R222L194-V218 HydrophobicContact CB-CG1 4Å; L194-V218 HydrophobicContact CD2-CG2 4.45Å; Y197-V218 HydrophobicContact CD1-CG2 3.76Å; Y197-V218 HydrophobicContact CE1-CG2 4.17Å; V214-V218 HydrophobicContact CG1-CG2 4.49Å; V214-V218 WeakPolarHBondContact O-CB 3.43Å; V214-V218 WeakPolarHBondContact O-CG2 3.48Å; V214-V218 PolarHBondContact O-N 3.09Å; N215-V218 PolarHBondContact O-N 3.47Å; V218-I221 PolarHBondContact O-N 3.33Å; V218-R222 PolarHBondContact O-N 3.2Å
219A96.4Very high93.4Very high43 Ų4352.7 Ų52.736%0.35528%0.277SS..Hα-helixtrans-62.5-44.3175.800000111.6N215 E216 R222 E223N215-A219 WeakPolarHBondContact O-CB 3.18Å; N215-A219 PolarHBondContact O-N 3.07Å; E216-A219 PolarHBondContact O-N 2.88Å; A219-R222 WeakPolarHBondContact O-CB 3.28Å; A219-R222 PolarHBondContact O-N 3.41Å; A219-E223 PolarHBondContact O-N 2.91Å
220G95.9Very high94.1Very high28 Ų2848.9 Ų48.929%0.28925%0.253SS..Hα-helixtrans-60.7-44.2175.400000113.3E216 V217 E223 Y224E216-G220 PolarHBondContact O-N 3.37Å; V217-G220 PolarHBondContact O-N 2.88Å; G220-E223 PolarHBondContact O-N 3.29Å; G220-Y224 WeakPolarHBondContact O-CB 3.41Å; G220-Y224 VanDerWaalsContact O-CD2 3.28Å; G220-Y224 WeakPolarHBondContact O-CD2 3.43Å; G220-Y224 PolarHBondContact O-N 2.83Å
221I97.9Very high94.7Very high3 Ų347 Ų472%0.01525%0.252CS..Hα-helixtrans-62.8-43.2176.6-67.3160.9000110.8L194 V217 V218 F225 L263 L266 F267 L291 F294L194-I221 HydrophobicContact CD1-CG2 4.38Å; L194-I221 HydrophobicContact CD2-CB 4.09Å; L194-I221 HydrophobicContact CD2-CD1 4.37Å; L194-I221 HydrophobicContact CD2-CG2 3.77Å; V217-I221 HydrophobicContact CG1-CD1 3.74Å; V217-I221 HydrophobicContact CG1-CG1 4.33Å; V217-I221 WeakPolarHBondContact O-CD1 3.39Å; V217-I221 VanDerWaalsContact O-CG1 3.22Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; V217-I221 PolarHBondContact O-N 2.89Å; V218-I221 PolarHBondContact O-N 3.33Å; I221-F225 VanDerWaalsContact O-CB 3.29Å; I221-F225 WeakPolarHBondContact O-CB 3.45Å; I221-F225 PolarHBondContact O-N 2.87Å; I221-L263 HydrophobicContact CG2-CD1 3.81Å; I221-L266 HydrophobicContact CG2-CD2 4.08Å; I221-F267 HydrophobicContact CD1-CZ 4.13Å; I221-F267 HydrophobicContact CG1-CZ 4.3Å; I221-F267 HydrophobicContact CG2-CZ 4.14Å; I221-L291 HydrophobicContact CD1-CD2 4Å; I221-L291 HydrophobicContact CG1-CD2 3.96Å; I221-F294 HydrophobicContact CD1-CD1 4.43Å; I221-F294 HydrophobicContact CD1-CG 4.28Å
222R98.5Very high95Very high77 Ų7747.1 Ų47.129%0.29125%0.253SS..Hα-helixtrans-58.1-48.5175173.6-172.2-68.7113.47.1111.7D191 L194 V218 A219 F225 N226D191-R222 IonicContact OD1-CZ 3.42Å; D191-R222 IonicContact OD1-NE 2.63Å; D191-R222 PolarHBondContact OD1-NE 2.95Å; D191-R222 IonicContact OD1-NH2 2.97Å; D191-R222 PolarHBondContact OD1-NH2 3.29Å; L194-R222 HydrophobicContact CD1-CB 3.85Å; V218-R222 PolarHBondContact O-N 3.2Å; A219-R222 WeakPolarHBondContact O-CB 3.28Å; A219-R222 PolarHBondContact O-N 3.41Å; R222-F225 WeakPolarHBondContact O-CB 3.41Å; R222-F225 PolarHBondContact O-N 3.13Å; R222-N226 PolarHBondContact O-N 2.94Å; R222-N226 PolarHBondContact O-ND2 3.17Å
223E96.4Very high95.5Very high112 Ų11241.1 Ų41.152%0.52323%0.227SC..Hα-helixtrans-67.7-45.6-176.1-168.756.8-15400111.5A219 G220 F225 N226 V227A219-E223 PolarHBondContact O-N 2.91Å; G220-E223 PolarHBondContact O-N 3.29Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.13Å; E223-N226 PolarHBondContact O-N 3.3Å; E223-V227 WeakPolarHBondContact O-CG2 3.31Å; E223-V227 PolarHBondContact O-N 2.63Å
224Y96.3Very high95.8Very high58 Ų5840.5 Ų40.523%0.22722%0.22CC..Hα-helixtrans-58.7-38.2171.3-85.7-63.9000112.1G220 M228 I270 M273 T277G220-Y224 WeakPolarHBondContact O-CB 3.41Å; G220-Y224 VanDerWaalsContact O-CD2 3.28Å; G220-Y224 WeakPolarHBondContact O-CD2 3.43Å; G220-Y224 PolarHBondContact O-N 2.83Å; Y224-M228 HydrophobicContact CD1-SD 3.89Å; Y224-M228 WeakPolarHBondContact O-CB 3.45Å; Y224-M228 WeakPolarHBondContact O-CG 3.49Å; Y224-M228 PolarHBondContact O-N 3.17Å; Y224-I270 HydrophobicContact CD1-CG1 4.4Å; Y224-I270 HydrophobicContact CD2-CD1 3.8Å; Y224-I270 HydrophobicContact CD2-CG1 4.32Å; Y224-I270 HydrophobicContact CE2-CD1 4.47Å; Y224-I270 HydrophobicContact CG-CD1 3.87Å; Y224-I270 HydrophobicContact CG-CG1 4.16Å; Y224-M273 HydrophobicContact CD1-CB 4.29Å; Y224-M273 HydrophobicContact CE1-CB 3.7Å; Y224-M273 HydrophobicContact CE1-CG 4.32Å; Y224-T277 PolarHBondContact OH-OG1 3Å
225F98.4Very high96.1Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-62.9-49.6175.6-173.4-102.1000112.1V190 I221 R222 E223 V227 M228 L229 L233 M254 H262 L263 L266V190-F225 HydrophobicContact CB-CD1 4.31Å; V190-F225 HydrophobicContact CB-CE1 4.25Å; V190-F225 HydrophobicContact CG1-CD1 4.15Å; V190-F225 HydrophobicContact CG1-CG 4.31Å; V190-F225 HydrophobicContact CG2-CD1 3.99Å; V190-F225 HydrophobicContact CG2-CD2 4.44Å; V190-F225 HydrophobicContact CG2-CE1 3.58Å; V190-F225 HydrophobicContact CG2-CE2 4.1Å; V190-F225 HydrophobicContact CG2-CG 4.4Å; V190-F225 HydrophobicContact CG2-CZ 3.64Å; I221-F225 VanDerWaalsContact O-CB 3.29Å; I221-F225 WeakPolarHBondContact O-CB 3.45Å; I221-F225 PolarHBondContact O-N 2.87Å; R222-F225 WeakPolarHBondContact O-CB 3.41Å; R222-F225 PolarHBondContact O-N 3.13Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.13Å; F225-V227 PolarHBondContact O-N 3.44Å; F225-M228 PolarHBondContact O-N 3.31Å; F225-L229 HydrophobicContact CE2-CD1 4.1Å; F225-L229 HydrophobicContact CZ-CD1 3.82Å; F225-L229 HydrophobicContact CZ-CD2 4.49Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.11Å; F225-L233 HydrophobicContact CD2-CD1 3.86Å; F225-L233 HydrophobicContact CE2-CD1 3.92Å; F225-M254 HydrophobicContact CE1-CB 4.36Å; F225-H262 HydrophobicContact CE2-CB 3.82Å; F225-H262 HydrophobicContact CZ-CB 3.84Å; F225-L263 HydrophobicContact CD2-CD1 4.1Å; F225-L263 HydrophobicContact CE2-CB 4.48Å; F225-L263 HydrophobicContact CG-CD1 4.49Å; F225-L266 HydrophobicContact CB-CD2 3.95Å; F225-L266 HydrophobicContact CD2-CB 4.43Å; F225-L266 HydrophobicContact CD2-CD2 4.35Å
226N97.1Very high96.2Very high37 Ų3746.8 Ų46.820%0.19824%0.243CC..Hα-helixtrans-60.2-44.9-179.5-75.3-28.5000112.2R222 E223 M254 S255R222-N226 PolarHBondContact O-N 2.94Å; R222-N226 PolarHBondContact O-ND2 3.17Å; E223-N226 PolarHBondContact O-N 3.3Å; N226-M254 PolarHBondContact OD1-N 2.9Å; N226-M254 VanDerWaalsContact OD1-N 3.15Å; N226-S255 PolarHBondContact OD1-N 3.43Å; N226-S255 PolarHBondContact OD1-OG 3.31Å
227V94.9Very high96.4Very high90 Ų9042.2 Ų42.255%0.54522%0.221SC..Hα-helixtrans-73-38.7179.2175.80000112.4E223 F225 T231E223-V227 WeakPolarHBondContact O-CG2 3.31Å; E223-V227 PolarHBondContact O-N 2.63Å; F225-V227 PolarHBondContact O-N 3.44Å; V227-T231 PolarHBondContact O-OG1 3.49Å
228M95.8Very high96.5Very high1 Ų141.5 Ų41.51%0.00522%0.217CC..Hα-helixtrans-87.1-22.5-172.9-63.9179.172.900114.6Y224 F225 G230 T231 Q232 L233 L266 R269 M273Y224-M228 HydrophobicContact CD1-SD 3.89Å; Y224-M228 WeakPolarHBondContact O-CB 3.45Å; Y224-M228 WeakPolarHBondContact O-CG 3.49Å; Y224-M228 PolarHBondContact O-N 3.17Å; F225-M228 PolarHBondContact O-N 3.31Å; M228-G230 PolarHBondContact O-N 2.9Å; M228-T231 PolarHBondContact O-N 3.01Å; M228-T231 PolarHBondContact O-OG1 3.39Å; M228-Q232 HydrophobicContact CE-CB 4.42Å; M228-Q232 VanDerWaalsContact CE-OE1 3.3Å; M228-Q232 PolarHBondContact O-N 2.86Å; M228-L233 HydrophobicContact CB-CD1 4.33Å; M228-L233 HydrophobicContact CB-CD2 4.41Å; M228-L233 HydrophobicContact CB-CG 4.18Å; M228-L233 PolarHBondContact O-N 3.35Å; M228-L266 HydrophobicContact CB-CD1 4.21Å; M228-L266 HydrophobicContact CE-CD1 4.17Å; M228-L266 HydrophobicContact CG-CD1 4.35Å; M228-L266 HydrophobicContact SD-CD1 3.38Å; M228-L266 WeakPolarHBondContact SD-CD1 3.43Å; M228-R269 HydrophobicContact CE-CB 3.6Å; M228-M273 HydrophobicContact CE-CG 3.47Å; M228-M273 VanDerWaalsContact CE-CG 3.47Å; M228-M273 HydrophobicContact CE-SD 4.41Å; M228-M273 HydrophobicContact SD-CB 4.47Å; M228-M273 HydrophobicContact SD-CG 3.58Å; M228-M273 VanDerWaalsContact SD-CG 3.58Å
229L97.6Very high96.5Very high0 Ų045 Ų450%023%0.229CC..Iπ-helixtrans-54.8-61.4-173.6-179.677.2000112F225 T231 L233 L234 Y242 M254 Y258 H262F225-L229 HydrophobicContact CE2-CD1 4.1Å; F225-L229 HydrophobicContact CZ-CD1 3.82Å; F225-L229 HydrophobicContact CZ-CD2 4.49Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.11Å; L229-T231 PolarHBondContact O-N 3.4Å; L229-T231 VanDerWaalsContact O-N 3.12Å; L229-L233 HydrophobicContact CD1-CB 4.14Å; L229-L233 HydrophobicContact CD1-CD1 4.44Å; L229-L233 PolarHBondContact O-N 3.18Å; L229-L234 HydrophobicContact CD1-CD2 3.89Å; L229-L234 HydrophobicContact CD1-CG 4.05Å; L229-L234 HydrophobicContact CG-CD1 4.19Å; L229-L234 HydrophobicContact CG-CD2 4.34Å; L229-L234 HydrophobicContact CG-CG 4.12Å; L229-L234 WeakPolarHBondContact O-CG 3.48Å; L229-Y242 HydrophobicContact CD2-CE2 4.46Å; L229-M254 HydrophobicContact CD2-CB 3.67Å; L229-M254 HydrophobicContact CD2-CG 3.82Å; L229-M254 HydrophobicContact CD2-SD 3.88Å; L229-Y258 HydrophobicContact CD1-CD1 4.14Å; L229-Y258 HydrophobicContact CD1-CE1 4.42Å; L229-Y258 HydrophobicContact CD1-CG 4.3Å; L229-Y258 HydrophobicContact CD2-CD1 4.04Å; L229-Y258 HydrophobicContact CD2-CD2 3.3Å; L229-Y258 HydrophobicContact CD2-CE1 4.08Å; L229-Y258 HydrophobicContact CD2-CE2 3.39Å; L229-Y258 HydrophobicContact CD2-CG 3.66Å; L229-H262 HydrophobicContact CD1-CB 4.05Å
230G93.4Very high96.6Very high12 Ų1243.7 Ų43.712%0.12422%0.216CC..Iπ-helixtrans-63-19.1-175.600000114.4M228 R239 Y242M228-G230 PolarHBondContact O-N 2.9Å; G230-R239 PolarHBondContact O-NH1 3.15Å; G230-Y242 WeakPolarHBondContact CA-OH 3.48Å
231T92.7Very high96.7Very high91 Ų9143.4 Ų43.456%0.55821%0.208SC*.Iπ-helixtrans-99.3-57.5-179.151.70000111.6V227 M228 L229 R239V227-T231 PolarHBondContact O-OG1 3.49Å; M228-T231 PolarHBondContact O-N 3.01Å; M228-T231 PolarHBondContact O-OG1 3.39Å; L229-T231 PolarHBondContact O-N 3.4Å; L229-T231 VanDerWaalsContact O-N 3.12Å; T231-R239 PolarHBondContact O-NH2 3.26Å
232Q93.8Very high96.6Very high77 Ų7745.4 Ų45.436%0.3622%0.215SC..Iπ-helixtrans-115-19.1-161.5-61-174.942.800116.1M228M228-Q232 HydrophobicContact CE-CB 4.42Å; M228-Q232 VanDerWaalsContact CE-OE1 3.3Å; M228-Q232 PolarHBondContact O-N 2.86Å
233L97.9Very high96.6Very high5 Ų544.3 Ų44.33%0.02622%0.222CC..Iπ-helixtrans-99.9-15.7-171.1-47.8-175.4000114.1F225 M228 L229 R265 L266 R269F225-L233 HydrophobicContact CD2-CD1 3.86Å; F225-L233 HydrophobicContact CE2-CD1 3.92Å; M228-L233 HydrophobicContact CB-CD1 4.33Å; M228-L233 HydrophobicContact CB-CD2 4.41Å; M228-L233 HydrophobicContact CB-CG 4.18Å; M228-L233 PolarHBondContact O-N 3.35Å; L229-L233 HydrophobicContact CD1-CB 4.14Å; L229-L233 HydrophobicContact CD1-CD1 4.44Å; L229-L233 PolarHBondContact O-N 3.18Å; L233-R265 HydrophobicContact CB-CB 4.47Å; L233-R265 WeakPolarHBondContact O-CD 3.32Å; L233-R265 PolarHBondContact O-NH1 2.99Å; L233-L266 HydrophobicContact CD1-CB 3.87Å; L233-L266 HydrophobicContact CD1-CD1 4.19Å; L233-L266 HydrophobicContact CD2-CB 4.45Å; L233-L266 HydrophobicContact CD2-CD1 4.41Å; L233-R269 HydrophobicContact CD2-CB 3.97Å; L233-R269 HydrophobicContact CD2-CG 3.86Å
234L98Very high96.5Very high10 Ų1041.8 Ų41.85%0.05221%0.213CC..  trans-95.5129.7-179.3-63.4172.4000112.7L229 E238 R239 Y242 Y258L229-L234 HydrophobicContact CD1-CD2 3.89Å; L229-L234 HydrophobicContact CD1-CG 4.05Å; L229-L234 HydrophobicContact CG-CD1 4.19Å; L229-L234 HydrophobicContact CG-CD2 4.34Å; L229-L234 HydrophobicContact CG-CG 4.12Å; L229-L234 WeakPolarHBondContact O-CG 3.48Å; L234-E238 WeakPolarHBondContact CA-OE2 3.49Å; L234-E238 HydrophobicContact CB-CB 4.32Å; L234-E238 HydrophobicContact CD2-CB 4.02Å; L234-R239 PolarHBondContact O-NE 3.44Å; L234-R239 PolarHBondContact O-NH2 2.99Å; L234-Y242 HydrophobicContact CD1-CD1 3.94Å; L234-Y242 HydrophobicContact CD1-CD2 3.7Å; L234-Y242 HydrophobicContact CD1-CE2 4.38Å; L234-Y242 HydrophobicContact CD1-CG 3.45Å; L234-Y242 VanDerWaalsContact CD1-CG 3.45Å; L234-Y258 HydrophobicContact CD2-CE1 3.91Å
235Y97.8Very high96.6Very high59 Ų5939.6 Ų39.623%0.23121%0.205CC..  trans-66.2165.1169.9-60.2-63.3000111.3W172 I175 T176 F237 E238W172-Y235 AromaticContact CD1-CE1 3.69Å; W172-Y235 AromaticContact CD1-CZ 3.88Å; I175-Y235 HydrophobicContact CB-CD2 4.22Å; I175-Y235 HydrophobicContact CD1-CD2 4.07Å; I175-Y235 HydrophobicContact CD1-CE2 4.31Å; I175-Y235 HydrophobicContact CG2-CD2 3.9Å; I175-Y235 HydrophobicContact CG2-CG 4.4Å; T176-Y235 HydrophobicContact CG2-CD1 4.09Å; T176-Y235 HydrophobicContact CG2-CD2 4.34Å; T176-Y235 HydrophobicContact CG2-CG 3.97Å; Y235-F237 PolarHBondContact O-N 2.7Å; Y235-E238 WeakPolarHBondContact CD2-OE2 3.47Å; Y235-E238 PolarHBondContact N-OE2 3.29Å; Y235-E238 PolarHBondContact O-N 2.9Å
236K96Very high96.3Very high138 Ų13843.2 Ų43.260%0.622%0.224SC*.G310 helixtrans-56.7-39.4179-170.7-172.5172.3-172.90111.8E238 R239 V323K236-E238 VanDerWaalsContact C-N 3.29Å; K236-E238 PolarHBondContact O-N 3.01Å; K236-R239 WeakPolarHBondContact O-CB 3.48Å; K236-R239 WeakPolarHBondContact O-CG 3.42Å; K236-R239 PolarHBondContact O-N 2.94Å; K236-V323 WeakPolarHBondContact CE-O 3.38Å; K236-V323 PolarHBondContact NZ-O 3.41Å; K236-V323 PolarHBondContact NZ-OXT 2.77Å
237F97.2Very high96.3Very high17 Ų1745 Ų458%0.07524%0.244CC..G310 helixtrans-69.1-23.3-175.3-165.1-111.5000113.7I175 K179 L181 Y235 R239 A314 Y318 H319 A322I175-F237 HydrophobicContact CG2-CB 4.05Å; I175-F237 HydrophobicContact CG2-CD1 4.27Å; K179-F237 HydrophobicContact CB-CE1 3.93Å; K179-F237 HydrophobicContact CB-CE2 4.46Å; K179-F237 HydrophobicContact CB-CZ 3.75Å; K179-F237 HydrophobicContact CD-CD2 4.19Å; K179-F237 HydrophobicContact CD-CE1 4.34Å; K179-F237 HydrophobicContact CD-CE2 3.99Å; K179-F237 HydrophobicContact CD-CG 4.45Å; K179-F237 HydrophobicContact CD-CZ 4.08Å; K179-F237 HydrophobicContact CG-CZ 4.37Å; K179-F237 WeakPolarHBondContact O-CE1 3.34Å; L181-F237 HydrophobicContact CD2-CD1 3.85Å; L181-F237 HydrophobicContact CD2-CE1 3.99Å; L181-F237 HydrophobicContact CG-CE1 4.2Å; Y235-F237 PolarHBondContact O-N 2.7Å; F237-R239 VanDerWaalsContact C-N 3.33Å; F237-A314 HydrophobicContact CE1-CB 3.83Å; F237-A314 HydrophobicContact CZ-CB 3.75Å; F237-Y318 HydrophobicContact CD1-CE1 4.37Å; F237-Y318 HydrophobicContact CD2-CE1 4.5Å; F237-Y318 HydrophobicContact CE1-CD1 4.32Å; F237-Y318 HydrophobicContact CE1-CE1 4.03Å; F237-Y318 HydrophobicContact CE2-CD1 4.29Å; F237-Y318 HydrophobicContact CE2-CE1 4.17Å; F237-Y318 AromaticContact CZ-CD1 3.9Å; F237-Y318 HydrophobicContact CZ-CD1 3.9Å; F237-Y318 AromaticContact CZ-CE1 3.92Å; F237-Y318 HydrophobicContact CZ-CE1 3.92Å; F237-Y318 VanDerWaalsContact O-CE1 3.26Å; F237-Y318 WeakPolarHBondContact O-CE1 3.48Å; F237-Y318 PolarHBondContact O-OH 2.89Å; F237-H319 AromaticContact CZ-CD2 3.88Å; F237-H319 AromaticContact CZ-NE2 3.74Å; F237-A322 HydrophobicContact CD2-CB 3.62Å; F237-A322 HydrophobicContact CE2-CB 3.65Å
238E97.9Very high96.3Very high0 Ų046.3 Ų46.30%025%0.248CC..G310 helixtrans-83.2-6.8176.9-65.7165.1119.500113.1I175 L181 L234 Y235 K236 Q241 Y242 H262 R265I175-E238 HydrophobicContact CD1-CG 4.28Å; I175-E238 WeakPolarHBondContact CD1-OE1 3.41Å; I175-E238 HydrophobicContact CG2-CG 3.92Å; L181-E238 HydrophobicContact CD2-CG 4.34Å; L234-E238 WeakPolarHBondContact CA-OE2 3.49Å; L234-E238 HydrophobicContact CB-CB 4.32Å; L234-E238 HydrophobicContact CD2-CB 4.02Å; Y235-E238 WeakPolarHBondContact CD2-OE2 3.47Å; Y235-E238 PolarHBondContact N-OE2 3.29Å; Y235-E238 PolarHBondContact O-N 2.9Å; K236-E238 VanDerWaalsContact C-N 3.29Å; K236-E238 PolarHBondContact O-N 3.01Å; E238-Q241 PolarHBondContact O-N 3.48Å; E238-Y242 PolarHBondContact O-N 3.16Å; E238-H262 IonicContact OE1-CD2 3.43Å; E238-H262 IonicContact OE1-CE1 2.67Å; E238-H262 IonicContact OE1-NE2 3.93Å; E238-H262 PolarHBondContact OE1-NE2 3.13Å; E238-R265 VanDerWaalsContact CD-NH1 3.25Å; E238-R265 IonicContact OE1-CZ 3.1Å; E238-R265 IonicContact OE1-NH1 3.51Å; E238-R265 PolarHBondContact OE1-NH1 2.67Å; E238-R265 IonicContact OE1-NH2 3.27Å; E238-R265 PolarHBondContact OE1-NH2 3.19Å; E238-R265 IonicContact OE2-CZ 3.33Å; E238-R265 IonicContact OE2-NH1 2.81Å; E238-R265 PolarHBondContact OE2-NH1 2.87Å; E238-R265 IonicContact OE2-NH2 2.7Å
239R97.1Very high96.1Very high87 Ų8749.4 Ų49.433%0.32826%0.262SS..Hα-helixtrans-65.9-38.1-171.6-60.5-56.7-179.7137.4-11.7114.2G230 T231 L234 K236 F237 Y242 A243G230-R239 PolarHBondContact O-NH1 3.15Å; T231-R239 PolarHBondContact O-NH2 3.26Å; L234-R239 PolarHBondContact O-NE 3.44Å; L234-R239 PolarHBondContact O-NH2 2.99Å; K236-R239 WeakPolarHBondContact O-CB 3.48Å; K236-R239 WeakPolarHBondContact O-CG 3.42Å; K236-R239 PolarHBondContact O-N 2.94Å; F237-R239 VanDerWaalsContact C-N 3.33Å; R239-Y242 PolarHBondContact O-N 2.74Å; R239-A243 PolarHBondContact O-N 2.61Å
240P97.6Very high95.8Very high15 Ų1553.7 Ų53.710%0.09729%0.29CS..Hα-helixtrans-64.7-41.4171.1-23.734.3000113.5Y242 A243 D244 Y318 K321 A322P240-Y242 VanDerWaalsContact C-N 3.3Å; P240-Y242 PolarHBondContact O-N 3.23Å; P240-A243 PolarHBondContact O-N 2.73Å; P240-A243 VanDerWaalsContact O-N 3.17Å; P240-D244 VanDerWaalsContact O-CG 3.29Å; P240-D244 PolarHBondContact O-N 3.22Å; P240-Y318 HydrophobicContact CB-CD2 4.48Å; P240-Y318 HydrophobicContact CB-CE2 3.76Å; P240-Y318 WeakPolarHBondContact CD-OH 3.45Å; P240-Y318 HydrophobicContact CG-CE1 4.47Å; P240-K321 HydrophobicContact CB-CB 3.61Å; P240-K321 HydrophobicContact CB-CD 3.89Å; P240-K321 HydrophobicContact CB-CG 4.43Å; P240-K321 HydrophobicContact CG-CB 3.7Å; P240-K321 WeakPolarHBondContact CG-O 3.42Å; P240-A322 HydrophobicContact CG-CB 3.94Å
241Q97.6Very high95.8Very high22 Ų2260.7 Ų60.710%0.10333%0.325CS..Hα-helixtrans-59.6-43.8176.4-168.9-172.23700110.6F182 L184 E238 D244 I245 Y318F182-Q241 PolarHBondContact O-NE2 3.28Å; L184-Q241 VanDerWaalsContact CD1-CD 3.47Å; L184-Q241 HydrophobicContact CD1-CG 3.97Å; E238-Q241 PolarHBondContact O-N 3.48Å; Q241-D244 PolarHBondContact O-N 3.34Å; Q241-I245 WeakPolarHBondContact O-CB 3.4Å; Q241-I245 VanDerWaalsContact O-CG1 3.28Å; Q241-I245 WeakPolarHBondContact O-CG1 3.32Å; Q241-I245 PolarHBondContact O-N 2.77Å; Q241-Y318 HydrophobicContact CB-CE2 3.81Å; Q241-Y318 WeakPolarHBondContact CB-OH 3.26Å; Q241-Y318 PolarHBondContact N-OH 3.37Å
242Y97.6Very high95.9Very high46 Ų4658.7 Ų58.718%0.1831%0.312CS..Hα-helixtrans-64.3-39175.3177.2-115000113.2L229 G230 L234 E238 R239 P240 I245 L246 M254L229-Y242 HydrophobicContact CD2-CE2 4.46Å; G230-Y242 WeakPolarHBondContact CA-OH 3.48Å; L234-Y242 HydrophobicContact CD1-CD1 3.94Å; L234-Y242 HydrophobicContact CD1-CD2 3.7Å; L234-Y242 HydrophobicContact CD1-CE2 4.38Å; L234-Y242 HydrophobicContact CD1-CG 3.45Å; L234-Y242 VanDerWaalsContact CD1-CG 3.45Å; E238-Y242 PolarHBondContact O-N 3.16Å; R239-Y242 PolarHBondContact O-N 2.74Å; P240-Y242 VanDerWaalsContact C-N 3.3Å; P240-Y242 PolarHBondContact O-N 3.23Å; Y242-I245 PolarHBondContact O-N 3.08Å; Y242-L246 HydrophobicContact CD1-CD1 4.25Å; Y242-L246 HydrophobicContact CD2-CG 4.46Å; Y242-L246 HydrophobicContact CE1-CD1 3.64Å; Y242-L246 HydrophobicContact CE1-CG 4.28Å; Y242-L246 HydrophobicContact CE2-CD1 4.24Å; Y242-L246 HydrophobicContact CE2-CD2 4.13Å; Y242-L246 HydrophobicContact CE2-CG 4.02Å; Y242-L246 WeakPolarHBondContact O-CG 3.26Å; Y242-L246 PolarHBondContact O-N 3.03Å; Y242-M254 HydrophobicContact CD2-SD 4.35Å; Y242-M254 HydrophobicContact CE2-SD 3.73Å
243A96.6Very high96.1Very high53 Ų5356.7 Ų56.744%0.43831%0.309SS..Hα-helixtrans-66.1-42.1174.900000112.2R239 P240 I245 L246 A247R239-A243 PolarHBondContact O-N 2.61Å; P240-A243 PolarHBondContact O-N 2.73Å; P240-A243 VanDerWaalsContact O-N 3.17Å; A243-I245 VanDerWaalsContact C-N 3.33Å; A243-L246 PolarHBondContact O-N 2.73Å; A243-A247 PolarHBondContact O-N 3.25Å; A243-A247 VanDerWaalsContact O-N 3.1Å
244D96.2Very high96.1Very high59 Ų5957.2 Ų57.232%0.31631%0.311SS..Hα-helixtrans-63.9-38.4174.2-65.8-26.4000110.9P240 Q241 A247 N248 K321P240-D244 VanDerWaalsContact O-CG 3.29Å; P240-D244 PolarHBondContact O-N 3.22Å; Q241-D244 PolarHBondContact O-N 3.34Å; D244-A247 PolarHBondContact O-N 2.87Å; D244-N248 WeakPolarHBondContact O-CB 3.39Å; D244-N248 VanDerWaalsContact O-CG 3.26Å; D244-N248 PolarHBondContact O-N 3.24Å; D244-N248 PolarHBondContact O-ND2 2.96Å; D244-K321 IonicContact OD1-NZ 2.66Å; D244-K321 PolarHBondContact OD1-NZ 3.46Å; D244-K321 IonicContact OD2-NZ 3.49Å; D244-K321 PolarHBondContact OD2-NZ 3.27Å
245I96.6Very high96.1Very high13 Ų1356.8 Ų56.87%0.06731%0.309CS..Hα-helixtrans-63.3-47173.7-76.1-64.6000111.9L184 Q241 Y242 A243 A247 N248 H249 M254 I257 Y258L184-I245 HydrophobicContact CB-CD1 4.17Å; L184-I245 HydrophobicContact CD1-CD1 4.47Å; L184-I245 HydrophobicContact CD1-CG1 4.08Å; Q241-I245 WeakPolarHBondContact O-CB 3.4Å; Q241-I245 VanDerWaalsContact O-CG1 3.28Å; Q241-I245 WeakPolarHBondContact O-CG1 3.32Å; Q241-I245 PolarHBondContact O-N 2.77Å; Y242-I245 PolarHBondContact O-N 3.08Å; A243-I245 VanDerWaalsContact C-N 3.33Å; I245-A247 VanDerWaalsContact C-N 3.26Å; I245-A247 PolarHBondContact O-N 2.77Å; I245-N248 PolarHBondContact O-N 3.31Å; I245-H249 WeakPolarHBondContact O-CB 3.37Å; I245-H249 PolarHBondContact O-N 2.8Å; I245-M254 HydrophobicContact CG2-CE 4.25Å; I245-M254 HydrophobicContact CG2-SD 4.46Å; I245-I257 HydrophobicContact CD1-CG2 3.93Å; I245-I257 HydrophobicContact CG1-CG2 4.47Å; I245-I257 HydrophobicContact CG2-CD1 3.61Å; I245-I257 HydrophobicContact CG2-CG2 4.17Å; I245-Y258 HydrophobicContact CG2-CE2 4.35Å
246L93.8Very high96.1Very high76 Ų7658.4 Ų58.440%0.39832%0.319SS..Hα-helixtrans-62-33.6177.6-74.1179.5000112.7Y242 A243 M254Y242-L246 HydrophobicContact CD1-CD1 4.25Å; Y242-L246 HydrophobicContact CD2-CG 4.46Å; Y242-L246 HydrophobicContact CE1-CD1 3.64Å; Y242-L246 HydrophobicContact CE1-CG 4.28Å; Y242-L246 HydrophobicContact CE2-CD1 4.24Å; Y242-L246 HydrophobicContact CE2-CD2 4.13Å; Y242-L246 HydrophobicContact CE2-CG 4.02Å; Y242-L246 WeakPolarHBondContact O-CG 3.26Å; Y242-L246 PolarHBondContact O-N 3.03Å; A243-L246 PolarHBondContact O-N 2.73Å; L246-M254 HydrophobicContact CD2-CE 4.31Å
247A95.9Very high96.2Very high75 Ų7552 Ų5262%0.6229%0.291SS*.Hα-helixtrans-73-37.117700000112.9A243 D244 I245A243-A247 PolarHBondContact O-N 3.25Å; A243-A247 VanDerWaalsContact O-N 3.1Å; D244-A247 PolarHBondContact O-N 2.87Å; I245-A247 VanDerWaalsContact C-N 3.26Å; I245-A247 PolarHBondContact O-N 2.77Å
248N95.2Very high96.3Very high117 Ų11751.2 Ų51.263%0.62629%0.287SS*.Hα-helixtrans-90.2-22-175.6-66.6-33.5000114D244 I245D244-N248 WeakPolarHBondContact O-CB 3.39Å; D244-N248 VanDerWaalsContact O-CG 3.26Å; D244-N248 PolarHBondContact O-N 3.24Å; D244-N248 PolarHBondContact O-ND2 2.96Å; I245-N248 PolarHBondContact O-N 3.31Å
249H92.7Very high96.3Very high65 Ų6551.2 Ų51.230%0.30129%0.287SS..  trans-135.553.2-174.4-54.9-71000112.8I245 D251 T252 I257I245-H249 WeakPolarHBondContact O-CB 3.37Å; I245-H249 PolarHBondContact O-N 2.8Å; H249-D251 VanDerWaalsContact C-N 3.33Å; H249-D251 PolarHBondContact O-N 2.79Å; H249-T252 PolarHBondContact O-N 2.9Å; H249-I257 HydrophobicContact CB-CD1 3.78Å
250P90.9Very high96.4Very high91 Ų9147.2 Ų47.259%0.59127%0.273SS*.THydrogen-bonded Turntrans-60.3-36.7-169.324.2-35.1000114.2
251D93.8Very high96.4Very high159 Ų15946.8 Ų46.885%0.8527%0.271SS*.THydrogen-bonded Turntrans-92.75.3-177.4-53-70.9000113.8H249H249-D251 VanDerWaalsContact C-N 3.33Å; H249-D251 PolarHBondContact O-N 2.79Å
252T94.7Very high96.5Very high49 Ų4945.8 Ų45.830%0.30127%0.266SS..SBendtrans-98130.9-174.7-540000111.1H249 M254 Q256 I257H249-T252 PolarHBondContact O-N 2.9Å; T252-M254 VanDerWaalsContact O-CE 3.3Å; T252-M254 WeakPolarHBondContact O-CE 3.41Å; T252-Q256 HydrophobicContact CG2-CB 4Å; T252-I257 HydrophobicContact CG2-CD1 3.83Å; T252-I257 HydrophobicContact CG2-CG1 3.64Å
253A96.9Very high96.5Very high34 Ų3443.6 Ų43.628%0.28126%0.257SS..  trans-68.6142.6179.400000111S255 Q256A253-S255 PolarHBondContact O-N 3.04Å; A253-Q256 HydrophobicContact CB-CG 4.15Å; A253-Q256 VanDerWaalsContact O-CB 3.32Å; A253-Q256 WeakPolarHBondContact O-CB 3.38Å; A253-Q256 PolarHBondContact O-N 3.28Å
254M97.6Very high96.6Very high17 Ų1741.2 Ų41.28%0.08424%0.237CC..Hα-helixtrans-62.3-29.6-177.9-65.8-60.9102.400112.6F225 N226 L229 Y242 I245 L246 T252 Q256 I257 Y258F225-M254 HydrophobicContact CE1-CB 4.36Å; N226-M254 PolarHBondContact OD1-N 2.9Å; N226-M254 VanDerWaalsContact OD1-N 3.15Å; L229-M254 HydrophobicContact CD2-CB 3.67Å; L229-M254 HydrophobicContact CD2-CG 3.82Å; L229-M254 HydrophobicContact CD2-SD 3.88Å; Y242-M254 HydrophobicContact CD2-SD 4.35Å; Y242-M254 HydrophobicContact CE2-SD 3.73Å; I245-M254 HydrophobicContact CG2-CE 4.25Å; I245-M254 HydrophobicContact CG2-SD 4.46Å; L246-M254 HydrophobicContact CD2-CE 4.31Å; T252-M254 VanDerWaalsContact O-CE 3.3Å; T252-M254 WeakPolarHBondContact O-CE 3.41Å; M254-Q256 PolarHBondContact O-N 2.85Å; M254-I257 HydrophobicContact CE-CD1 3.82Å; M254-I257 PolarHBondContact O-N 2.93Å; M254-I257 VanDerWaalsContact O-N 3.15Å; M254-Y258 PolarHBondContact O-N 3.46Å; M254-Y258 HydrophobicContact SD-CD2 4.26Å; M254-Y258 HydrophobicContact SD-CE2 3.94Å
255S98.4Very high96.7Very high0 Ų038.9 Ų38.90%022%0.224CC..Hα-helixtrans-61.6-20.5171.960.20000114.4N189 V190 D191 N226 A253N189-S255 WeakPolarHBondContact CB-O 3.47Å; V190-S255 WeakPolarHBondContact CB-O 3.45Å; V190-S255 PolarHBondContact N-O 3.49Å; V190-S255 VanDerWaalsContact N-O 3.12Å; D191-S255 PolarHBondContact N-O 2.89Å; D191-S255 PolarHBondContact OD1-OG 3.45Å; D191-S255 VanDerWaalsContact OD2-CB 3.24Å; D191-S255 WeakPolarHBondContact OD2-CB 3.4Å; D191-S255 PolarHBondContact OD2-OG 2.9Å; N226-S255 PolarHBondContact OD1-N 3.43Å; N226-S255 PolarHBondContact OD1-OG 3.31Å; A253-S255 PolarHBondContact O-N 3.04Å
256Q98.4Very high96.8Very high94 Ų9438.3 Ų38.344%0.43922%0.221SC..Hα-helixtrans-90.1-20.6177.4-58.5172.7-49.600112.4N189 D191 T252 A253 M254N189-Q256 VanDerWaalsContact CB-O 3.29Å; N189-Q256 WeakPolarHBondContact CB-O 3.4Å; N189-Q256 WeakPolarHBondContact ND2-CA 3.4Å; N189-Q256 PolarHBondContact ND2-O 3.13Å; D191-Q256 WeakPolarHBondContact OD2-CG 3.34Å; T252-Q256 HydrophobicContact CG2-CB 4Å; A253-Q256 HydrophobicContact CB-CG 4.15Å; A253-Q256 VanDerWaalsContact O-CB 3.32Å; A253-Q256 WeakPolarHBondContact O-CB 3.38Å; A253-Q256 PolarHBondContact O-N 3.28Å; M254-Q256 PolarHBondContact O-N 2.85Å
257I98.4Very high97Very high3 Ų334.8 Ų34.82%0.01520%0.202CC..Hα-helixtrans-100.2-43.7-176.4-56-176.6000112L184 A186 I245 H249 T252 M254L184-I257 HydrophobicContact CB-CG2 4.31Å; L184-I257 HydrophobicContact CD2-CG2 4.37Å; L184-I257 WeakPolarHBondContact CD2-O 3.36Å; A186-I257 VanDerWaalsContact CB-O 3.26Å; A186-I257 WeakPolarHBondContact CB-O 3.11Å; A186-I257 PolarHBondContact N-O 2.9Å; I245-I257 HydrophobicContact CD1-CG2 3.93Å; I245-I257 HydrophobicContact CG1-CG2 4.47Å; I245-I257 HydrophobicContact CG2-CD1 3.61Å; I245-I257 HydrophobicContact CG2-CG2 4.17Å; H249-I257 HydrophobicContact CB-CD1 3.78Å; T252-I257 HydrophobicContact CG2-CD1 3.83Å; T252-I257 HydrophobicContact CG2-CG1 3.64Å; M254-I257 HydrophobicContact CE-CD1 3.82Å; M254-I257 PolarHBondContact O-N 2.93Å; M254-I257 VanDerWaalsContact O-N 3.15Å
258Y98.7Very high96.9Very high0 Ų034.5 Ų34.50%019%0.192CC..  trans-93.2158.3-171.8-75.8-100000113L184 N189 V190 L229 L234 I245 M254 H262L184-Y258 HydrophobicContact CD1-CD1 4.03Å; L184-Y258 HydrophobicContact CD1-CE1 3.4Å; L184-Y258 HydrophobicContact CD1-CE2 3.98Å; L184-Y258 HydrophobicContact CD2-CD1 3.78Å; L184-Y258 HydrophobicContact CD2-CD2 4.47Å; L184-Y258 HydrophobicContact CD2-CE1 4.04Å; L184-Y258 HydrophobicContact CD2-CG 4.02Å; L184-Y258 HydrophobicContact CG-CE1 4.36Å; N189-Y258 CarbonylContact C-O 3.56Å; N189-Y258 WeakPolarHBondContact CA-O 3.28Å; V190-Y258 WeakPolarHBondContact CG2-O 3.29Å; V190-Y258 PolarHBondContact N-O 2.73Å; L229-Y258 HydrophobicContact CD1-CD1 4.14Å; L229-Y258 HydrophobicContact CD1-CE1 4.42Å; L229-Y258 HydrophobicContact CD1-CG 4.3Å; L229-Y258 HydrophobicContact CD2-CD1 4.04Å; L229-Y258 HydrophobicContact CD2-CD2 3.3Å; L229-Y258 HydrophobicContact CD2-CE1 4.08Å; L229-Y258 HydrophobicContact CD2-CE2 3.39Å; L229-Y258 HydrophobicContact CD2-CG 3.66Å; L234-Y258 HydrophobicContact CD2-CE1 3.91Å; I245-Y258 HydrophobicContact CG2-CE2 4.35Å; M254-Y258 PolarHBondContact O-N 3.46Å; M254-Y258 HydrophobicContact SD-CD2 4.26Å; M254-Y258 HydrophobicContact SD-CE2 3.94Å; Y258-H262 HydrophobicContact CD1-CB 4.38Å; Y258-H262 AromaticContact CD1-CD2 3.71Å; Y258-H262 AromaticContact CD1-CE1 3.83Å; Y258-H262 AromaticContact CD1-CG 3.64Å; Y258-H262 AromaticContact CD1-ND1 3.73Å; Y258-H262 AromaticContact CD1-NE2 3.81Å
259G98.4Very high96.8Very high0 Ų035.3 Ų35.30%019%0.187CC..BIsolated β-bridgetrans-104.7-171.9-172.200000115.5P261 H262 L263G259-P261 VanDerWaalsContact C-CD 3.44Å; G259-H262 PolarHBondContact O-N 2.74Å; G259-L263 PolarHBondContact O-N 3.11Å
260A98.4Very high96.7Very high4 Ų432.3 Ų32.33%0.03317%0.173CC..Hα-helixtrans-61.1-31.4-178.600000116.1V193 L263 L264 L305 F306V193-A260 HydrophobicContact CG2-CB 4.43Å; A260-L263 WeakPolarHBondContact O-CB 3.32Å; A260-L263 PolarHBondContact O-N 3.37Å; A260-L264 PolarHBondContact O-N 3.27Å; A260-L305 HydrophobicContact CB-CB 3.94Å; A260-L305 HydrophobicContact CB-CD2 4.33Å; A260-L305 WeakPolarHBondContact CB-O 3.42Å; A260-F306 HydrophobicContact CB-CD1 4.48Å; A260-F306 HydrophobicContact CB-CE1 4.01Å; A260-F306 HydrophobicContact CB-CZ 4.44Å
261P98.3Very high96.6Very high6 Ų628.1 Ų28.14%0.03915%0.146CC..Hα-helixtrans-59.2-50.1175.5-26.135.6000112.5F182 G259 L263 L264 R265 F306 Y311F182-P261 HydrophobicContact CD2-CG 4Å; F182-P261 HydrophobicContact CE2-CG 3.72Å; F182-P261 HydrophobicContact CZ-CG 4.41Å; G259-P261 VanDerWaalsContact C-CD 3.44Å; P261-L263 VanDerWaalsContact C-N 3.29Å; P261-L263 PolarHBondContact O-N 3.26Å; P261-L264 WeakPolarHBondContact O-CB 3.44Å; P261-L264 PolarHBondContact O-N 3.45Å; P261-L264 VanDerWaalsContact O-N 3.07Å; P261-R265 PolarHBondContact O-N 3.18Å; P261-R265 VanDerWaalsContact O-N 3.09Å; P261-F306 HydrophobicContact CG-CD1 4.28Å; P261-Y311 VanDerWaalsContact CB-OH 3.28Å; P261-Y311 WeakPolarHBondContact CB-OH 3.45Å; P261-Y311 WeakPolarHBondContact CG-OH 3.48Å
262H98.8Very high96.3Very high0 Ų022.1 Ų22.10%012%0.119CC..Hα-helixtrans-61.3-38.6175.6-55.683.1000112F182 F225 L229 E238 Y258 G259 L264 R265 L266F182-H262 AromaticContact CG-CE1 3.96Å; F225-H262 HydrophobicContact CE2-CB 3.82Å; F225-H262 HydrophobicContact CZ-CB 3.84Å; L229-H262 HydrophobicContact CD1-CB 4.05Å; E238-H262 IonicContact OE1-CD2 3.43Å; E238-H262 IonicContact OE1-CE1 2.67Å; E238-H262 IonicContact OE1-NE2 3.93Å; E238-H262 PolarHBondContact OE1-NE2 3.13Å; Y258-H262 HydrophobicContact CD1-CB 4.38Å; Y258-H262 AromaticContact CD1-CD2 3.71Å; Y258-H262 AromaticContact CD1-CE1 3.83Å; Y258-H262 AromaticContact CD1-CG 3.64Å; Y258-H262 AromaticContact CD1-ND1 3.73Å; Y258-H262 AromaticContact CD1-NE2 3.81Å; G259-H262 PolarHBondContact O-N 2.74Å; H262-L264 VanDerWaalsContact C-N 3.32Å; H262-L264 PolarHBondContact O-N 2.77Å; H262-R265 PolarHBondContact CD2-NH1 3.09Å; H262-R265 VanDerWaalsContact CD2-NH1 3.31Å; H262-R265 PolarHBondContact NE2-NH2 3.46Å; H262-R265 WeakPolarHBondContact O-CB 3.19Å; H262-R265 PolarHBondContact O-N 2.96Å; H262-L266 PolarHBondContact O-N 2.97Å
263L98.7Very high95.8Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-62.7-37.6174.2-175.158.5000112.1V190 V193 I221 F225 G259 A260 P261 L266 F267 F294V190-L263 HydrophobicContact CB-CD2 4.46Å; V190-L263 HydrophobicContact CG1-CD1 3.8Å; V190-L263 HydrophobicContact CG1-CD2 3.97Å; V190-L263 HydrophobicContact CG1-CG 4.36Å; V190-L263 HydrophobicContact CG2-CB 3.84Å; V190-L263 HydrophobicContact CG2-CD1 4.36Å; V190-L263 HydrophobicContact CG2-CD2 4.26Å; V190-L263 HydrophobicContact CG2-CG 4.37Å; V193-L263 HydrophobicContact CB-CD2 4.35Å; V193-L263 HydrophobicContact CG1-CD2 4.01Å; I221-L263 HydrophobicContact CG2-CD1 3.81Å; F225-L263 HydrophobicContact CD2-CD1 4.1Å; F225-L263 HydrophobicContact CE2-CB 4.48Å; F225-L263 HydrophobicContact CG-CD1 4.49Å; G259-L263 PolarHBondContact O-N 3.11Å; A260-L263 WeakPolarHBondContact O-CB 3.32Å; A260-L263 PolarHBondContact O-N 3.37Å; P261-L263 VanDerWaalsContact C-N 3.29Å; P261-L263 PolarHBondContact O-N 3.26Å; L263-L266 HydrophobicContact CD1-CD2 4.33Å; L263-L266 VanDerWaalsContact O-CB 3.28Å; L263-L266 WeakPolarHBondContact O-CB 3.46Å; L263-L266 PolarHBondContact O-N 3.19Å; L263-F267 HydrophobicContact CD1-CE2 4.25Å; L263-F267 HydrophobicContact CG-CE2 4.28Å; L263-F267 WeakPolarHBondContact O-CD2 3.42Å; L263-F267 WeakPolarHBondContact O-CE2 3.47Å; L263-F294 HydrophobicContact CD2-CE1 4.14Å; L263-F294 HydrophobicContact CD2-CZ 3.88Å; L263-F294 HydrophobicContact CG-CE1 4.45Å
264L98.5Very high95.3Very high3 Ų321 Ų212%0.01611%0.105CC..Hα-helixtrans-66.2-38.8175.2-178.458000111.4L164 W167 L168 A260 P261 H262 L266 F267 L295 L298 F306L164-L264 HydrophobicContact CB-CD1 4.19Å; L164-L264 HydrophobicContact CB-CD2 4.07Å; L164-L264 HydrophobicContact CD1-CD1 3.77Å; W167-L264 HydrophobicContact CB-CD2 4.42Å; L168-L264 HydrophobicContact CD1-CD2 4.47Å; L168-L264 HydrophobicContact CD1-CG 4.31Å; L168-L264 HydrophobicContact CD2-CD2 4.23Å; L168-L264 HydrophobicContact CD2-CG 4Å; L168-L264 HydrophobicContact CG-CD2 3.9Å; L168-L264 HydrophobicContact CG-CG 4.04Å; A260-L264 PolarHBondContact O-N 3.27Å; P261-L264 WeakPolarHBondContact O-CB 3.44Å; P261-L264 PolarHBondContact O-N 3.45Å; P261-L264 VanDerWaalsContact O-N 3.07Å; H262-L264 VanDerWaalsContact C-N 3.32Å; H262-L264 PolarHBondContact O-N 2.77Å; L264-L266 PolarHBondContact O-N 3.16Å; L264-F267 PolarHBondContact O-N 2.96Å; L264-F267 VanDerWaalsContact O-N 3.15Å; L264-L295 HydrophobicContact CD1-CD2 4.05Å; L264-L298 HydrophobicContact CD1-CD1 4.26Å; L264-F306 HydrophobicContact CB-CE1 3.94Å; L264-F306 HydrophobicContact CB-CZ 4.19Å; L264-F306 HydrophobicContact CD2-CE1 3.78Å; L264-F306 HydrophobicContact CD2-CZ 3.84Å; L264-F306 HydrophobicContact CG-CE1 4.48Å
265R98.3Very high94.5Very high11 Ų1121 Ų214%0.04211%0.108CC..Hα-helixtrans-59.3-31.1173.3-59.1-178.3-157.7157.18.2112.8L168 D171 L233 E238 P261 H262 F267 V268 R269L168-R265 HydrophobicContact CD2-CG 4.19Å; D171-R265 IonicContact OD1-CZ 2.78Å; D171-R265 IonicContact OD1-NE 3Å; D171-R265 PolarHBondContact OD1-NE 3.08Å; D171-R265 IonicContact OD1-NH2 2.66Å; D171-R265 PolarHBondContact OD1-NH2 3.09Å; D171-R265 IonicContact OD2-CZ 2.7Å; D171-R265 IonicContact OD2-NE 2.69Å; D171-R265 PolarHBondContact OD2-NE 3.44Å; D171-R265 IonicContact OD2-NH2 3.97Å; D171-R265 PolarHBondContact OD2-NH2 3.2Å; L233-R265 HydrophobicContact CB-CB 4.47Å; L233-R265 WeakPolarHBondContact O-CD 3.32Å; L233-R265 PolarHBondContact O-NH1 2.99Å; E238-R265 VanDerWaalsContact CD-NH1 3.25Å; E238-R265 IonicContact OE1-CZ 3.1Å; E238-R265 IonicContact OE1-NH1 3.51Å; E238-R265 PolarHBondContact OE1-NH1 2.67Å; E238-R265 IonicContact OE1-NH2 3.27Å; E238-R265 PolarHBondContact OE1-NH2 3.19Å; E238-R265 IonicContact OE2-CZ 3.33Å; E238-R265 IonicContact OE2-NH1 2.81Å; E238-R265 PolarHBondContact OE2-NH1 2.87Å; E238-R265 IonicContact OE2-NH2 2.7Å; P261-R265 PolarHBondContact O-N 3.18Å; P261-R265 VanDerWaalsContact O-N 3.09Å; H262-R265 PolarHBondContact CD2-NH1 3.09Å; H262-R265 VanDerWaalsContact CD2-NH1 3.31Å; H262-R265 PolarHBondContact NE2-NH2 3.46Å; H262-R265 WeakPolarHBondContact O-CB 3.19Å; H262-R265 PolarHBondContact O-N 2.96Å; R265-F267 VanDerWaalsContact C-N 3.29Å; R265-F267 PolarHBondContact O-N 3.4Å; R265-V268 WeakPolarHBondContact O-CB 3.44Å; R265-V268 PolarHBondContact O-N 3.48Å; R265-V268 VanDerWaalsContact O-N 3.08Å; R265-R269 PolarHBondContact O-N 3.12Å
266L98.2Very high93.6Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-56.2-43.7175.1177.261.5000111.5I221 F225 M228 L233 H262 L263 L264 V268 R269 I270I221-L266 HydrophobicContact CG2-CD2 4.08Å; F225-L266 HydrophobicContact CB-CD2 3.95Å; F225-L266 HydrophobicContact CD2-CB 4.43Å; F225-L266 HydrophobicContact CD2-CD2 4.35Å; M228-L266 HydrophobicContact CB-CD1 4.21Å; M228-L266 HydrophobicContact CE-CD1 4.17Å; M228-L266 HydrophobicContact CG-CD1 4.35Å; M228-L266 HydrophobicContact SD-CD1 3.38Å; M228-L266 WeakPolarHBondContact SD-CD1 3.43Å; L233-L266 HydrophobicContact CD1-CB 3.87Å; L233-L266 HydrophobicContact CD1-CD1 4.19Å; L233-L266 HydrophobicContact CD2-CB 4.45Å; L233-L266 HydrophobicContact CD2-CD1 4.41Å; H262-L266 PolarHBondContact O-N 2.97Å; L263-L266 HydrophobicContact CD1-CD2 4.33Å; L263-L266 VanDerWaalsContact O-CB 3.28Å; L263-L266 WeakPolarHBondContact O-CB 3.46Å; L263-L266 PolarHBondContact O-N 3.19Å; L264-L266 PolarHBondContact O-N 3.16Å; L266-V268 PolarHBondContact O-N 2.78Å; L266-V268 VanDerWaalsContact O-N 3.15Å; L266-R269 PolarHBondContact O-N 3.31Å; L266-I270 HydrophobicContact CD1-CB 4.08Å; L266-I270 HydrophobicContact CD1-CD1 4.37Å; L266-I270 HydrophobicContact CD1-CG1 4.4Å; L266-I270 HydrophobicContact CD2-CD1 4.4Å; L266-I270 HydrophobicContact CG-CB 4.28Å; L266-I270 HydrophobicContact CG-CD1 4.29Å; L266-I270 WeakPolarHBondContact O-CB 3.09Å; L266-I270 PolarHBondContact O-N 3.46Å
267F97.3Very high92.8Very high3 Ų322.3 Ų22.31%0.01311%0.114CC..Hα-helixtrans-67.3-16.5-178.9-65.2-90.5000113.4V158 I160 I221 L263 L264 R265 L291 F294 L295V158-F267 HydrophobicContact CG1-CB 4.45Å; V158-F267 HydrophobicContact CG1-CD1 4.45Å; I160-F267 HydrophobicContact CD1-CB 3.58Å; I221-F267 HydrophobicContact CD1-CZ 4.13Å; I221-F267 HydrophobicContact CG1-CZ 4.3Å; I221-F267 HydrophobicContact CG2-CZ 4.14Å; L263-F267 HydrophobicContact CD1-CE2 4.25Å; L263-F267 HydrophobicContact CG-CE2 4.28Å; L263-F267 WeakPolarHBondContact O-CD2 3.42Å; L263-F267 WeakPolarHBondContact O-CE2 3.47Å; L264-F267 PolarHBondContact O-N 2.96Å; L264-F267 VanDerWaalsContact O-N 3.15Å; R265-F267 VanDerWaalsContact C-N 3.29Å; R265-F267 PolarHBondContact O-N 3.4Å; F267-L291 HydrophobicContact CE1-CB 4.35Å; F267-L291 HydrophobicContact CE1-CD2 3.89Å; F267-F294 AromaticContact CE1-CD1 3.96Å; F267-F294 HydrophobicContact CE1-CD1 3.96Å; F267-F294 AromaticContact CE2-CD1 3.79Å; F267-F294 HydrophobicContact CE2-CD1 3.79Å; F267-F294 AromaticContact CE2-CE1 3.66Å; F267-F294 HydrophobicContact CE2-CE1 3.66Å; F267-F294 AromaticContact CZ-CD1 3.27Å; F267-F294 HydrophobicContact CZ-CD1 3.27Å; F267-F294 AromaticContact CZ-CE1 3.54Å; F267-F294 HydrophobicContact CZ-CE1 3.54Å; F267-F294 HydrophobicContact CZ-CG 4.33Å; F267-L295 HydrophobicContact CB-CD1 4.32Å; F267-L295 HydrophobicContact CB-CD2 3.98Å; F267-L295 HydrophobicContact CD1-CD1 3.88Å; F267-L295 HydrophobicContact CD1-CD2 4.12Å; F267-L295 HydrophobicContact CD1-CG 3.93Å; F267-L295 HydrophobicContact CD2-CD2 4.17Å; F267-L295 HydrophobicContact CE1-CG 4.37Å; F267-L295 HydrophobicContact CG-CD1 4.25Å; F267-L295 HydrophobicContact CG-CD2 3.8Å; F267-L295 HydrophobicContact CG-CG 4.15Å
268V94.8Very high92Very high68 Ų6828.2 Ų28.241%0.41215%0.152SC..Hα-helixtrans-81.2-19.2172.5-169.40000112I160 L168 R265 L266I160-V268 HydrophobicContact CD1-CG2 4.15Å; I160-V268 HydrophobicContact CG1-CG2 4.22Å; L168-V268 HydrophobicContact CD1-CG2 3.66Å; L168-V268 HydrophobicContact CD2-CG2 4.06Å; R265-V268 WeakPolarHBondContact O-CB 3.44Å; R265-V268 PolarHBondContact O-N 3.48Å; R265-V268 VanDerWaalsContact O-N 3.08Å; L266-V268 PolarHBondContact O-N 2.78Å; L266-V268 VanDerWaalsContact O-N 3.15Å
269R92.6Very high91.3Very high134 Ų13431.1 Ų31.151%0.50617%0.168SC..Hα-helixtrans-115-28.7-176.3-64.3-58-168.3-170.20.5114.8M228 L233 R265 L266 G271 A272M228-R269 HydrophobicContact CE-CB 3.6Å; L233-R269 HydrophobicContact CD2-CB 3.97Å; L233-R269 HydrophobicContact CD2-CG 3.86Å; R265-R269 PolarHBondContact O-N 3.12Å; L266-R269 PolarHBondContact O-N 3.31Å; R269-G271 PolarHBondContact O-N 3.07Å; R269-G271 VanDerWaalsContact O-N 3.14Å; R269-A272 PolarHBondContact O-N 2.93Å
270I91.7Very high90.8Very high2 Ų234.9 Ų34.91%0.0119%0.188CC..Hα-helixtrans-62.5-24.2-174.6-159.6172.7000112.6V158 Y224 L266 A272 M273 L274V158-I270 HydrophobicContact CG2-CG2 4.07Å; Y224-I270 HydrophobicContact CD1-CG1 4.4Å; Y224-I270 HydrophobicContact CD2-CD1 3.8Å; Y224-I270 HydrophobicContact CD2-CG1 4.32Å; Y224-I270 HydrophobicContact CE2-CD1 4.47Å; Y224-I270 HydrophobicContact CG-CD1 3.87Å; Y224-I270 HydrophobicContact CG-CG1 4.16Å; L266-I270 HydrophobicContact CD1-CB 4.08Å; L266-I270 HydrophobicContact CD1-CD1 4.37Å; L266-I270 HydrophobicContact CD1-CG1 4.4Å; L266-I270 HydrophobicContact CD2-CD1 4.4Å; L266-I270 HydrophobicContact CG-CB 4.28Å; L266-I270 HydrophobicContact CG-CD1 4.29Å; L266-I270 WeakPolarHBondContact O-CB 3.09Å; L266-I270 PolarHBondContact O-N 3.46Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 3.42Å; I270-M273 WeakPolarHBondContact O-CA 3.16Å; I270-M273 WeakPolarHBondContact O-CB 3.28Å; I270-M273 PolarHBondContact O-N 2.74Å; I270-L274 HydrophobicContact CG1-CG 4.32Å; I270-L274 WeakPolarHBondContact O-CG 3.43Å; I270-L274 PolarHBondContact O-N 3.49Å
271G88.8Confident90.3Very high3 Ų343 Ų433%0.03123%0.225CC..Hα-helixtrans-57.2-38.2176.400000114.1V156 R269V156-G271 WeakPolarHBondContact CB-O 3.44Å; V156-G271 PolarHBondContact N-O 3.32Å; V156-G271 WeakPolarHBondContact O-CA 3.49Å; R269-G271 PolarHBondContact O-N 3.07Å; R269-G271 VanDerWaalsContact O-N 3.14Å
272A86.6Confident89.9Confident33 Ų3350.7 Ų50.727%0.27326%0.258SS..Hα-helixtrans-65.8-43.417200000111.2E155 R269 I270 L274 A275 Y276E155-A272 HydrophobicContact CG-CB 4.46Å; E155-A272 PolarHBondContact OE1-N 2.89Å; R269-A272 PolarHBondContact O-N 2.93Å; I270-A272 VanDerWaalsContact C-N 3.29Å; I270-A272 PolarHBondContact O-N 3.42Å; A272-L274 PolarHBondContact O-N 3.18Å; A272-A275 WeakPolarHBondContact O-CB 3.41Å; A272-A275 PolarHBondContact O-N 2.88Å; A272-Y276 WeakPolarHBondContact O-CD2 3.16Å; A272-Y276 WeakPolarHBondContact O-CE2 3.46Å
273M84.6Confident89.5Confident53 Ų5353.2 Ų53.226%0.26128%0.275SS..Hα-helixtrans-66.2-37.7-179.6-61.6-53.2-65.700113Y224 M228 I270 A275 Y276Y224-M273 HydrophobicContact CD1-CB 4.29Å; Y224-M273 HydrophobicContact CE1-CB 3.7Å; Y224-M273 HydrophobicContact CE1-CG 4.32Å; M228-M273 HydrophobicContact CE-CG 3.47Å; M228-M273 VanDerWaalsContact CE-CG 3.47Å; M228-M273 HydrophobicContact CE-SD 4.41Å; M228-M273 HydrophobicContact SD-CB 4.47Å; M228-M273 HydrophobicContact SD-CG 3.58Å; M228-M273 VanDerWaalsContact SD-CG 3.58Å; I270-M273 WeakPolarHBondContact O-CA 3.16Å; I270-M273 WeakPolarHBondContact O-CB 3.28Å; I270-M273 PolarHBondContact O-N 2.74Å; M273-A275 PolarHBondContact O-N 3.03Å; M273-Y276 PolarHBondContact O-N 2.96Å
274L85.9Confident89.1Confident7 Ų755.3 Ų55.34%0.03729%0.286CS..Hα-helixtrans-63.1-24.4177.9-68.9178.6000113.2V156 V158 I270 A272 Y276 T277 L287 L291V156-L274 HydrophobicContact CB-CB 4Å; V156-L274 HydrophobicContact CG1-CB 4.45Å; V156-L274 HydrophobicContact CG1-CD1 4.43Å; V156-L274 HydrophobicContact CG2-CB 3.95Å; V158-L274 HydrophobicContact CG2-CD1 4.26Å; I270-L274 HydrophobicContact CG1-CG 4.32Å; I270-L274 WeakPolarHBondContact O-CG 3.43Å; I270-L274 PolarHBondContact O-N 3.49Å; A272-L274 PolarHBondContact O-N 3.18Å; L274-Y276 PolarHBondContact O-N 3.27Å; L274-T277 PolarHBondContact O-N 3.26Å; L274-L287 HydrophobicContact CD2-CD2 3.67Å; L274-L291 HydrophobicContact CD1-CD1 3.76Å
275A81.5Confident88.8Confident16 Ų1658 Ų5813%0.13231%0.309CS..THydrogen-bonded Turntrans-64.8-24.3174.200000112.7R153 V154 V156 A272 M273R153-A275 HydrophobicContact CB-CB 4.13Å; R153-A275 WeakPolarHBondContact CD-O 3.23Å; R153-A275 PolarHBondContact NH1-O 3.4Å; V154-A275 WeakPolarHBondContact O-CB 3.32Å; V156-A275 HydrophobicContact CG2-CB 4.33Å; A272-A275 WeakPolarHBondContact O-CB 3.41Å; A272-A275 PolarHBondContact O-N 2.88Å; M273-A275 PolarHBondContact O-N 3.03Å
276Y79.2Confident88.5Confident80 Ų8061.8 Ų61.831%0.31433%0.33SS..THydrogen-bonded Turntrans-89.5-20.1178.8-57.7-80.6000113.2F150 R153 A272 M273 L274F150-Y276 HydrophobicContact CB-CE1 4.45Å; F150-Y276 AromaticContact CD1-CE1 3.99Å; F150-Y276 HydrophobicContact CD1-CE1 3.99Å; F150-Y276 AromaticContact CD2-CD1 3.58Å; F150-Y276 HydrophobicContact CD2-CD1 3.58Å; F150-Y276 AromaticContact CD2-CE1 3.34Å; F150-Y276 HydrophobicContact CD2-CE1 3.34Å; F150-Y276 HydrophobicContact CE1-CE1 4.03Å; F150-Y276 AromaticContact CE2-CD1 3.55Å; F150-Y276 HydrophobicContact CE2-CD1 3.55Å; F150-Y276 AromaticContact CE2-CE1 3.38Å; F150-Y276 HydrophobicContact CE2-CE1 3.38Å; F150-Y276 HydrophobicContact CE2-CG 4.43Å; F150-Y276 HydrophobicContact CG-CD1 4.32Å; F150-Y276 AromaticContact CG-CE1 3.64Å; F150-Y276 HydrophobicContact CG-CE1 3.64Å; F150-Y276 HydrophobicContact CZ-CD1 4.27Å; F150-Y276 AromaticContact CZ-CE1 3.74Å; F150-Y276 HydrophobicContact CZ-CE1 3.74Å; F150-Y276 VanDerWaalsContact O-CE1 3.3Å; F150-Y276 WeakPolarHBondContact O-CE1 3.31Å; F150-Y276 PolarHBondContact O-OH 2.94Å; R153-Y276 PolarHBondContact NH1-O 3.02Å; A272-Y276 WeakPolarHBondContact O-CD2 3.16Å; A272-Y276 WeakPolarHBondContact O-CE2 3.46Å; M273-Y276 PolarHBondContact O-N 2.96Å; L274-Y276 PolarHBondContact O-N 3.27Å
277T81.8Confident88.3Confident42 Ų4263.6 Ų63.626%0.25834%0.339SS..SBendtrans-71.2130.6-179.7-48.20000110.2Y224 L274 L279Y224-T277 PolarHBondContact OH-OG1 3Å; L274-T277 PolarHBondContact O-N 3.26Å; T277-L279 VanDerWaalsContact C-N 3.3Å; T277-L279 HydrophobicContact CG2-CD1 4.05Å; T277-L279 HydrophobicContact CG2-CD2 4.2Å; T277-L279 HydrophobicContact CG2-CG 3.79Å; T277-L279 PolarHBondContact O-N 3.08Å
278P81Confident88.1Confident127 Ų12765.6 Ų65.683%0.82535%0.35SS*.  trans-76.377.5-179.231.4-35.7000111.6
279L84Confident88.1Confident62 Ų6265.4 Ų65.433%0.32535%0.351SS..  trans-109.1138.4177.7-61.7173.4000110.7T277 L284 L287T277-L279 VanDerWaalsContact C-N 3.3Å; T277-L279 HydrophobicContact CG2-CD1 4.05Å; T277-L279 HydrophobicContact CG2-CD2 4.2Å; T277-L279 HydrophobicContact CG2-CG 3.79Å; T277-L279 PolarHBondContact O-N 3.08Å; L279-L284 HydrophobicContact CB-CB 4.15Å; L279-L284 HydrophobicContact CD1-CD1 3.96Å; L279-L287 HydrophobicContact CD1-CD2 3.61Å
280D87.9Confident88.3Confident79 Ų7960.8 Ų60.842%0.42233%0.334SS..  trans-73.9163.5165.488.9-69.1000110.8K282 S283 L284D280-K282 PolarHBondContact O-N 3.47Å; D280-K282 VanDerWaalsContact O-N 3.1Å; D280-K282 VanDerWaalsContact OD2-CB 3.24Å; D280-K282 WeakPolarHBondContact OD2-CB 3.38Å; D280-K282 WeakPolarHBondContact OD2-CG 3.47Å; D280-K282 PolarHBondContact OD2-N 2.93Å; D280-S283 PolarHBondContact O-N 3.17Å; D280-S283 VanDerWaalsContact O-N 3.17Å; D280-S283 WeakPolarHBondContact OD1-CB 3.18Å; D280-S283 PolarHBondContact OD1-N 2.61Å; D280-S283 PolarHBondContact OD1-OG 3.26Å; D280-L284 WeakPolarHBondContact O-CB 3.34Å; D280-L284 PolarHBondContact O-N 3.15Å
281E87.3Confident88.5Confident174 Ų17460.8 Ų60.881%0.81333%0.334SS*.Hα-helixtrans-53.3-35-178.4-63.1-178.7169.600113.4A285E281-A285 VanDerWaalsContact O-CB 3.23Å; E281-A285 WeakPolarHBondContact O-CB 3.4Å; E281-A285 PolarHBondContact O-N 3.25Å
282K90.6Very high88.9Confident168 Ų16863 Ų6373%0.7334%0.344SS*.Hα-helixtrans-75.7-44.9-178.9-57.7170.3-174.8165.80111.3D280 L284 A285 L286D280-K282 PolarHBondContact O-N 3.47Å; D280-K282 VanDerWaalsContact O-N 3.1Å; D280-K282 VanDerWaalsContact OD2-CB 3.24Å; D280-K282 WeakPolarHBondContact OD2-CB 3.38Å; D280-K282 WeakPolarHBondContact OD2-CG 3.47Å; D280-K282 PolarHBondContact OD2-N 2.93Å; K282-L284 VanDerWaalsContact C-N 3.33Å; K282-A285 PolarHBondContact O-N 2.9Å; K282-L286 VanDerWaalsContact O-CB 3.27Å; K282-L286 WeakPolarHBondContact O-CB 3.46Å; K282-L286 PolarHBondContact O-N 3.36Å
283S90.9Very high89.4Confident52 Ų5263.9 Ų63.936%0.36434%0.344SS..Hα-helixtrans-65-38.3175.7-58.10000111.4D280 L286 L287D280-S283 PolarHBondContact O-N 3.17Å; D280-S283 VanDerWaalsContact O-N 3.17Å; D280-S283 WeakPolarHBondContact OD1-CB 3.18Å; D280-S283 PolarHBondContact OD1-N 2.61Å; D280-S283 PolarHBondContact OD1-OG 3.26Å; S283-L286 PolarHBondContact O-N 2.96Å; S283-L287 VanDerWaalsContact O-CB 3.29Å; S283-L287 WeakPolarHBondContact O-CB 3.26Å; S283-L287 PolarHBondContact O-N 2.98Å
284L90.5Very high90Very high44 Ų4461.3 Ų61.323%0.2333%0.331CS..Hα-helixtrans-65.1-45.9175-175.562000111.9V156 L279 D280 K282 L286 L287 L288V156-L284 HydrophobicContact CG1-CD1 4.04Å; V156-L284 HydrophobicContact CG2-CD1 4.29Å; V156-L284 HydrophobicContact CG2-CD2 4.32Å; L279-L284 HydrophobicContact CB-CB 4.15Å; L279-L284 HydrophobicContact CD1-CD1 3.96Å; D280-L284 WeakPolarHBondContact O-CB 3.34Å; D280-L284 PolarHBondContact O-N 3.15Å; K282-L284 VanDerWaalsContact C-N 3.33Å; L284-L286 VanDerWaalsContact C-N 3.34Å; L284-L286 PolarHBondContact O-N 2.98Å; L284-L287 PolarHBondContact O-N 3.41Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 2.96Å
285A91.3Very high90.6Very high59 Ų5961 Ų6149%0.48833%0.329SS..Hα-helixtrans-63.6-38.7175.700000112.4E281 K282 S289E281-A285 VanDerWaalsContact O-CB 3.23Å; E281-A285 WeakPolarHBondContact O-CB 3.4Å; E281-A285 PolarHBondContact O-N 3.25Å; K282-A285 PolarHBondContact O-N 2.9Å; A285-S289 PolarHBondContact O-N 3.38Å
286L92.4Very high91.4Very high92 Ų9266.7 Ų66.748%0.48235%0.351SS..Hα-helixtrans-66.1-47.9175.8-178.161.5000111.5K282 S283 L284 L288 S289 Y290K282-L286 VanDerWaalsContact O-CB 3.27Å; K282-L286 WeakPolarHBondContact O-CB 3.46Å; K282-L286 PolarHBondContact O-N 3.36Å; S283-L286 PolarHBondContact O-N 2.96Å; L284-L286 VanDerWaalsContact C-N 3.34Å; L284-L286 PolarHBondContact O-N 2.98Å; L286-L288 PolarHBondContact O-N 3.45Å; L286-S289 WeakPolarHBondContact O-CB 3.4Å; L286-S289 PolarHBondContact O-N 2.85Å; L286-S289 VanDerWaalsContact O-N 3.09Å; L286-S289 PolarHBondContact O-OG 2.83Å; L286-Y290 HydrophobicContact CD1-CD2 4.22Å; L286-Y290 HydrophobicContact CD1-CE2 3.68Å; L286-Y290 HydrophobicContact CD2-CE2 4.46Å; L286-Y290 HydrophobicContact CG-CD2 4.19Å; L286-Y290 HydrophobicContact CG-CE2 3.85Å; L286-Y290 WeakPolarHBondContact O-CD2 3.37Å; L286-Y290 PolarHBondContact O-N 3.19Å; L286-Y290 VanDerWaalsContact O-N 3.13Å
287L93.8Very high92.2Very high38 Ų3863.5 Ų63.520%0.19934%0.339CS..Hα-helixtrans-57.2-49.7174.9175.559.1000110.9V217 L274 L279 S283 L284 S289 Y290 L291V217-L287 HydrophobicContact CG2-CD1 3.9Å; L274-L287 HydrophobicContact CD2-CD2 3.67Å; L279-L287 HydrophobicContact CD1-CD2 3.61Å; S283-L287 VanDerWaalsContact O-CB 3.29Å; S283-L287 WeakPolarHBondContact O-CB 3.26Å; S283-L287 PolarHBondContact O-N 2.98Å; L284-L287 PolarHBondContact O-N 3.41Å; L287-S289 PolarHBondContact O-N 3.04Å; L287-Y290 PolarHBondContact O-N 2.84Å; L287-L291 HydrophobicContact CD1-CD1 4.28Å; L287-L291 HydrophobicContact CD1-CD2 4.37Å; L287-L291 HydrophobicContact CD1-CG 4.13Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 HydrophobicContact CG-CG 4.36Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.15Å
288L93.9Very high93Very high45 Ų4561.5 Ų61.524%0.23633%0.327CS..Hα-helixtrans-57-37.4175.4-75.2170.1000112.1V156 V158 L284 L286 Y290 L291 Q292V156-L288 HydrophobicContact CG1-CD1 3.83Å; V156-L288 HydrophobicContact CG1-CD2 3.85Å; V156-L288 HydrophobicContact CG1-CG 4.22Å; V158-L288 HydrophobicContact CG2-CD2 4.04Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 2.96Å; L286-L288 PolarHBondContact O-N 3.45Å; L288-Y290 VanDerWaalsContact C-N 3.35Å; L288-Y290 PolarHBondContact O-N 2.63Å; L288-L291 PolarHBondContact O-N 3.49Å; L288-Q292 WeakPolarHBondContact O-CB 3.3Å; L288-Q292 WeakPolarHBondContact O-CG 3.17Å; L288-Q292 PolarHBondContact O-N 2.66Å
289S94.8Very high93.8Very high63 Ų6357 Ų5744%0.44130%0.296SS..Hα-helixtrans-63.6-38.2175.683.40000112.7A285 L286 L287 D293A285-S289 PolarHBondContact O-N 3.38Å; L286-S289 WeakPolarHBondContact O-CB 3.4Å; L286-S289 PolarHBondContact O-N 2.85Å; L286-S289 VanDerWaalsContact O-N 3.09Å; L286-S289 PolarHBondContact O-OG 2.83Å; L287-S289 PolarHBondContact O-N 3.04Å; S289-D293 PolarHBondContact O-N 3.27Å
290Y95.8Very high94.5Very high37 Ų3759.9 Ų59.915%0.14531%0.306CS..Hα-helixtrans-72.5-39.8175-75-68.2000112.8A213 V214 V217 L286 L287 L288 Q292 D293 F294A213-Y290 HydrophobicContact CB-CE2 3.93Å; A213-Y290 WeakPolarHBondContact CB-OH 3.31Å; V214-Y290 HydrophobicContact CG2-CD1 4.22Å; V214-Y290 HydrophobicContact CG2-CE1 3.83Å; V217-Y290 HydrophobicContact CG2-CD2 4.12Å; V217-Y290 HydrophobicContact CG2-CG 4.15Å; L286-Y290 HydrophobicContact CD1-CD2 4.22Å; L286-Y290 HydrophobicContact CD1-CE2 3.68Å; L286-Y290 HydrophobicContact CD2-CE2 4.46Å; L286-Y290 HydrophobicContact CG-CD2 4.19Å; L286-Y290 HydrophobicContact CG-CE2 3.85Å; L286-Y290 WeakPolarHBondContact O-CD2 3.37Å; L286-Y290 PolarHBondContact O-N 3.19Å; L286-Y290 VanDerWaalsContact O-N 3.13Å; L287-Y290 PolarHBondContact O-N 2.84Å; L288-Y290 VanDerWaalsContact C-N 3.35Å; L288-Y290 PolarHBondContact O-N 2.63Å; Y290-Q292 VanDerWaalsContact C-N 3.29Å; Y290-Q292 PolarHBondContact O-N 3.17Å; Y290-D293 PolarHBondContact O-N 2.91Å; Y290-D293 VanDerWaalsContact O-N 3.16Å; Y290-F294 PolarHBondContact O-N 3.12Å
291L96.4Very high94.9Very high3 Ų357.9 Ų57.92%0.01630%0.296CS..Hα-helixtrans-62.9-37.1174.3-61.2175.3000111.3V217 I221 F267 L274 L287 L288 L295V217-L291 HydrophobicContact CG1-CD2 4.25Å; I221-L291 HydrophobicContact CD1-CD2 4Å; I221-L291 HydrophobicContact CG1-CD2 3.96Å; F267-L291 HydrophobicContact CE1-CB 4.35Å; F267-L291 HydrophobicContact CE1-CD2 3.89Å; L274-L291 HydrophobicContact CD1-CD1 3.76Å; L287-L291 HydrophobicContact CD1-CD1 4.28Å; L287-L291 HydrophobicContact CD1-CD2 4.37Å; L287-L291 HydrophobicContact CD1-CG 4.13Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 HydrophobicContact CG-CG 4.36Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.15Å; L288-L291 PolarHBondContact O-N 3.49Å; L291-L295 WeakPolarHBondContact O-CB 3.41Å; L291-L295 WeakPolarHBondContact O-CD1 3.2Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; L291-L295 PolarHBondContact O-N 3.02Å
292Q96.4Very high95.3Very high50 Ų5051 Ų5123%0.23427%0.267CS..Hα-helixtrans-70.7-29.9173.4-69.4-67.5-74.500113.4K159 L288 Y290 K296K159-Q292 PolarHBondContact O-NE2 3.37Å; L288-Q292 WeakPolarHBondContact O-CB 3.3Å; L288-Q292 WeakPolarHBondContact O-CG 3.17Å; L288-Q292 PolarHBondContact O-N 2.66Å; Y290-Q292 VanDerWaalsContact C-N 3.29Å; Y290-Q292 PolarHBondContact O-N 3.17Å; Q292-K296 WeakPolarHBondContact O-CD 3.24Å; Q292-K296 VanDerWaalsContact O-CG 3.26Å; Q292-K296 WeakPolarHBondContact O-CG 3.32Å; Q292-K296 PolarHBondContact O-N 2.88Å
293D96.4Very high95.5Very high50 Ų5047.5 Ų47.527%0.26727%0.269SS..Hα-helixtrans-72.8-41.5173.2-168.3107.2000111.4Y197 K201 S289 Y290 K296 Y297Y197-D293 PolarHBondContact OH-OD2 2.95Å; K201-D293 WeakPolarHBondContact CD-OD2 3.09Å; K201-D293 WeakPolarHBondContact CE-OD2 3.41Å; K201-D293 IonicContact NZ-OD1 2.86Å; K201-D293 PolarHBondContact NZ-OD1 3.29Å; K201-D293 IonicContact NZ-OD2 2.63Å; K201-D293 PolarHBondContact NZ-OD2 2.86Å; S289-D293 PolarHBondContact O-N 3.27Å; Y290-D293 PolarHBondContact O-N 2.91Å; Y290-D293 VanDerWaalsContact O-N 3.16Å; D293-K296 WeakPolarHBondContact O-CB 3.36Å; D293-K296 PolarHBondContact O-N 3.44Å; D293-Y297 PolarHBondContact O-N 3.46Å
294F98.1Very high95.7Very high0 Ų049.1 Ų49.10%028%0.281CS..Hα-helixtrans-59.7-46.3171.5-174.6-99.4000112.2V193 L194 Y197 I221 L263 F267 Y290 K296 Y297 L298V193-F294 HydrophobicContact CG1-CZ 4.25Å; L194-F294 HydrophobicContact CD2-CE2 3.78Å; L194-F294 HydrophobicContact CD2-CZ 3.8Å; Y197-F294 AromaticContact CD1-CD2 3.57Å; Y197-F294 HydrophobicContact CD1-CD2 3.57Å; Y197-F294 HydrophobicContact CD1-CE2 4.04Å; Y197-F294 AromaticContact CD2-CD2 3.68Å; Y197-F294 HydrophobicContact CD2-CD2 3.68Å; Y197-F294 HydrophobicContact CD2-CE2 4.31Å; Y197-F294 HydrophobicContact CE1-CB 4.5Å; Y197-F294 AromaticContact CE1-CD2 3.87Å; Y197-F294 HydrophobicContact CE1-CD2 3.87Å; Y197-F294 HydrophobicContact CE2-CB 4.2Å; Y197-F294 AromaticContact CE2-CD2 3.98Å; Y197-F294 HydrophobicContact CE2-CD2 3.98Å; Y197-F294 AromaticContact CG-CD2 3.44Å; Y197-F294 HydrophobicContact CG-CD2 3.44Å; Y197-F294 VanDerWaalsContact CG-CD2 3.44Å; Y197-F294 AromaticContact CG-CE2 3.78Å; Y197-F294 HydrophobicContact CG-CE2 3.78Å; I221-F294 HydrophobicContact CD1-CD1 4.43Å; I221-F294 HydrophobicContact CD1-CG 4.28Å; L263-F294 HydrophobicContact CD2-CE1 4.14Å; L263-F294 HydrophobicContact CD2-CZ 3.88Å; L263-F294 HydrophobicContact CG-CE1 4.45Å; F267-F294 AromaticContact CE1-CD1 3.96Å; F267-F294 HydrophobicContact CE1-CD1 3.96Å; F267-F294 AromaticContact CE2-CD1 3.79Å; F267-F294 HydrophobicContact CE2-CD1 3.79Å; F267-F294 AromaticContact CE2-CE1 3.66Å; F267-F294 HydrophobicContact CE2-CE1 3.66Å; F267-F294 AromaticContact CZ-CD1 3.27Å; F267-F294 HydrophobicContact CZ-CD1 3.27Å; F267-F294 AromaticContact CZ-CE1 3.54Å; F267-F294 HydrophobicContact CZ-CE1 3.54Å; F267-F294 HydrophobicContact CZ-CG 4.33Å; Y290-F294 PolarHBondContact O-N 3.12Å; F294-K296 VanDerWaalsContact C-N 3.28Å; F294-K296 PolarHBondContact O-N 3.29Å; F294-Y297 HydrophobicContact CE2-CD1 4.49Å; F294-Y297 CarbonylContact O-C 3.59Å; F294-Y297 WeakPolarHBondContact O-CA 3.45Å; F294-Y297 WeakPolarHBondContact O-CB 3.39Å; F294-Y297 PolarHBondContact O-N 3.2Å; F294-L298 HydrophobicContact CD1-CD1 4.2Å; F294-L298 HydrophobicContact CD1-CG 4.18Å; F294-L298 HydrophobicContact CE1-CD1 3.75Å; F294-L298 HydrophobicContact CE1-CD2 3.9Å; F294-L298 HydrophobicContact CE1-CG 3.82Å; F294-L298 HydrophobicContact CZ-CD2 3.9Å; F294-L298 HydrophobicContact CZ-CG 4.28Å; F294-L298 PolarHBondContact O-N 2.98Å
295L98.3Very high96Very high0 Ų047.7 Ų47.70%027%0.273CS..Hα-helixtrans-60.5-35.5175.5-77.9163.2000112.4V158 I160 P161 L164 L264 F267 L291 L298 V299V158-L295 HydrophobicContact CG1-CD1 3.92Å; I160-L295 HydrophobicContact CD1-CD2 4.31Å; P161-L295 HydrophobicContact CG-CB 3.9Å; L164-L295 HydrophobicContact CD1-CD2 4.21Å; L264-L295 HydrophobicContact CD1-CD2 4.05Å; F267-L295 HydrophobicContact CB-CD1 4.32Å; F267-L295 HydrophobicContact CB-CD2 3.98Å; F267-L295 HydrophobicContact CD1-CD1 3.88Å; F267-L295 HydrophobicContact CD1-CD2 4.12Å; F267-L295 HydrophobicContact CD1-CG 3.93Å; F267-L295 HydrophobicContact CD2-CD2 4.17Å; F267-L295 HydrophobicContact CE1-CG 4.37Å; F267-L295 HydrophobicContact CG-CD1 4.25Å; F267-L295 HydrophobicContact CG-CD2 3.8Å; F267-L295 HydrophobicContact CG-CG 4.15Å; L291-L295 WeakPolarHBondContact O-CB 3.41Å; L291-L295 WeakPolarHBondContact O-CD1 3.2Å; L291-L295 WeakPolarHBondContact O-CG 3.47Å; L291-L295 PolarHBondContact O-N 3.02Å; L295-L298 HydrophobicContact CD2-CD1 4.34Å; L295-L298 PolarHBondContact O-N 3.36Å; L295-V299 WeakPolarHBondContact O-CG2 3.39Å; L295-V299 PolarHBondContact O-N 2.99Å
296K97.6Very high96.2Very high135 Ų13545.3 Ų45.359%0.58725%0.252SS*.Hα-helixtrans-69.4-32.6171.9-70.9164.1-172.4170.90112.9Q292 D293 F294 V299 K300Q292-K296 WeakPolarHBondContact O-CD 3.24Å; Q292-K296 VanDerWaalsContact O-CG 3.26Å; Q292-K296 WeakPolarHBondContact O-CG 3.32Å; Q292-K296 PolarHBondContact O-N 2.88Å; D293-K296 WeakPolarHBondContact O-CB 3.36Å; D293-K296 PolarHBondContact O-N 3.44Å; F294-K296 VanDerWaalsContact C-N 3.28Å; F294-K296 PolarHBondContact O-N 3.29Å; K296-V299 PolarHBondContact O-N 2.63Å; K296-K300 WeakPolarHBondContact O-CB 3.46Å; K296-K300 PolarHBondContact O-N 2.93Å
297Y97.9Very high96.3Very high14 Ų1444.2 Ų44.26%0.05525%0.246CC..Hα-helixtrans-64.8-40.7169.7170.7-85.8000111.1D196 Y197 Y200 D293 F294 K300 N301D196-Y297 VanDerWaalsContact CB-OH 3.23Å; D196-Y297 WeakPolarHBondContact CB-OH 3.38Å; Y197-Y297 HydrophobicContact CD2-CD1 4.08Å; Y197-Y297 HydrophobicContact CD2-CD2 4.05Å; Y197-Y297 AromaticContact CD2-CG 3.69Å; Y197-Y297 HydrophobicContact CD2-CG 3.69Å; Y197-Y297 HydrophobicContact CG-CG 4.5Å; Y200-Y297 AromaticContact CD1-CD2 3.46Å; Y200-Y297 HydrophobicContact CD1-CD2 3.46Å; Y200-Y297 VanDerWaalsContact CD1-CD2 3.46Å; Y200-Y297 AromaticContact CD1-CE2 4Å; Y200-Y297 HydrophobicContact CD1-CE2 4Å; Y200-Y297 HydrophobicContact CD1-CG 4.48Å; Y200-Y297 AromaticContact CE1-CD2 3.91Å; Y200-Y297 HydrophobicContact CE1-CD2 3.91Å; Y200-Y297 AromaticContact CG-CD2 3.89Å; Y200-Y297 HydrophobicContact CG-CD2 3.89Å; Y200-Y297 AromaticContact CG-CE2 3.95Å; Y200-Y297 HydrophobicContact CG-CE2 3.95Å; D293-Y297 PolarHBondContact O-N 3.46Å; F294-Y297 HydrophobicContact CE2-CD1 4.49Å; F294-Y297 CarbonylContact O-C 3.59Å; F294-Y297 WeakPolarHBondContact O-CA 3.45Å; F294-Y297 WeakPolarHBondContact O-CB 3.39Å; F294-Y297 PolarHBondContact O-N 3.2Å; Y297-K300 PolarHBondContact O-N 2.9Å; Y297-N301 VanDerWaalsContact CD2-ND2 3.31Å; Y297-N301 WeakPolarHBondContact CD2-ND2 3.48Å; Y297-N301 WeakPolarHBondContact CE2-ND2 3.43Å; Y297-N301 VanDerWaalsContact CZ-ND2 3.31Å; Y297-N301 PolarHBondContact O-N 3.3Å; Y297-N301 VanDerWaalsContact O-N 3.12Å; Y297-N301 PolarHBondContact O-ND2 3.39Å
298L98.3Very high96.2Very high0 Ų044.9 Ų44.90%026%0.257CS..Hα-helixtrans-62-42.7172.6-62.5-173.6000112.1L164 V193 L264 F294 L295 K300 N301 S302 L305 F306L164-L298 HydrophobicContact CD1-CB 3.88Å; V193-L298 HydrophobicContact CG1-CD2 3.96Å; L264-L298 HydrophobicContact CD1-CD1 4.26Å; F294-L298 HydrophobicContact CD1-CD1 4.2Å; F294-L298 HydrophobicContact CD1-CG 4.18Å; F294-L298 HydrophobicContact CE1-CD1 3.75Å; F294-L298 HydrophobicContact CE1-CD2 3.9Å; F294-L298 HydrophobicContact CE1-CG 3.82Å; F294-L298 HydrophobicContact CZ-CD2 3.9Å; F294-L298 HydrophobicContact CZ-CG 4.28Å; F294-L298 PolarHBondContact O-N 2.98Å; L295-L298 HydrophobicContact CD2-CD1 4.34Å; L295-L298 PolarHBondContact O-N 3.36Å; L298-K300 PolarHBondContact O-N 2.87Å; L298-N301 CarbonylContact O-C 3.59Å; L298-N301 PolarHBondContact O-N 3.31Å; L298-S302 WeakPolarHBondContact O-CA 3.42Å; L298-S302 PolarHBondContact O-N 3.37Å; L298-L305 HydrophobicContact CD2-CD1 3.66Å; L298-F306 HydrophobicContact CB-CE2 4.47Å; L298-F306 HydrophobicContact CB-CZ 4.47Å
299V98.1Very high96.2Very high31 Ų3146.2 Ų46.219%0.18827%0.271CS..Hα-helixtrans-55.9-51.6172.7173.30000110.9P161 E163 L164 L295 K296 N301 S302P161-V299 HydrophobicContact CB-CG2 3.54Å; P161-V299 HydrophobicContact CG-CG2 3.77Å; E163-V299 HydrophobicContact CB-CG1 3.97Å; E163-V299 HydrophobicContact CB-CG2 4.21Å; E163-V299 HydrophobicContact CG-CG1 4.13Å; L164-V299 HydrophobicContact CD1-CG2 3.88Å; L164-V299 HydrophobicContact CD2-CG2 4.24Å; L164-V299 HydrophobicContact CG-CG2 3.73Å; L295-V299 WeakPolarHBondContact O-CG2 3.39Å; L295-V299 PolarHBondContact O-N 2.99Å; K296-V299 PolarHBondContact O-N 2.63Å; V299-N301 VanDerWaalsContact C-N 3.26Å; V299-N301 PolarHBondContact O-N 3.35Å; V299-S302 VanDerWaalsContact O-CB 3.28Å; V299-S302 WeakPolarHBondContact O-CB 3.5Å; V299-S302 PolarHBondContact O-N 3.21Å; V299-S302 VanDerWaalsContact O-N 3.15Å; V299-S302 PolarHBondContact O-OG 3.39Å
300K97.6Very high96.3Very high123 Ų12344.7 Ų44.754%0.53526%0.257SS..Hα-helixtrans-60.1-33.7-176-172.8-163.4170.2-141.30113.1K296 Y297 L298K296-K300 WeakPolarHBondContact O-CB 3.46Å; K296-K300 PolarHBondContact O-N 2.93Å; Y297-K300 PolarHBondContact O-N 2.9Å; L298-K300 PolarHBondContact O-N 2.87Å
301N97.2Very high96.4Very high38 Ų3843.9 Ų43.920%0.20325%0.254CS..THydrogen-bonded Turntrans-106.414.6-179-54.8-80.2000112.4Y297 L298 V299 A303 S304 L305Y297-N301 VanDerWaalsContact CD2-ND2 3.31Å; Y297-N301 WeakPolarHBondContact CD2-ND2 3.48Å; Y297-N301 WeakPolarHBondContact CE2-ND2 3.43Å; Y297-N301 VanDerWaalsContact CZ-ND2 3.31Å; Y297-N301 PolarHBondContact O-N 3.3Å; Y297-N301 VanDerWaalsContact O-N 3.12Å; Y297-N301 PolarHBondContact O-ND2 3.39Å; L298-N301 CarbonylContact O-C 3.59Å; L298-N301 PolarHBondContact O-N 3.31Å; V299-N301 VanDerWaalsContact C-N 3.26Å; V299-N301 PolarHBondContact O-N 3.35Å; N301-A303 VanDerWaalsContact C-N 3.31Å; N301-A303 PolarHBondContact O-N 3.37Å; N301-S304 PolarHBondContact O-N 2.7Å; N301-S304 PolarHBondContact O-OG 2.88Å; N301-L305 HydrophobicContact CB-CD1 3.8Å; N301-L305 HydrophobicContact CB-CG 4.11Å; N301-L305 WeakPolarHBondContact O-CG 3.27Å; N301-L305 PolarHBondContact O-N 3.39Å
302S95.7Very high96.4Very high30 Ų3048.3 Ų48.321%0.2128%0.275CS..Hα-helixtrans-53.4-43.7-170.947.80000113.5L298 V299 S304 L305 F306L298-S302 WeakPolarHBondContact O-CA 3.42Å; L298-S302 PolarHBondContact O-N 3.37Å; V299-S302 VanDerWaalsContact O-CB 3.28Å; V299-S302 WeakPolarHBondContact O-CB 3.5Å; V299-S302 PolarHBondContact O-N 3.21Å; V299-S302 VanDerWaalsContact O-N 3.15Å; V299-S302 PolarHBondContact O-OG 3.39Å; S302-S304 PolarHBondContact O-N 3.1Å; S302-S304 VanDerWaalsContact O-N 3.09Å; S302-L305 PolarHBondContact O-N 3.38Å; S302-L305 VanDerWaalsContact O-N 3.09Å; S302-F306 PolarHBondContact O-N 3.41Å
303A94Very high96.4Very high94 Ų9450.7 Ų50.778%0.77729%0.293SS*.Hα-helixtrans-64.7-9.4178.800000115.7N301N301-A303 VanDerWaalsContact C-N 3.31Å; N301-A303 PolarHBondContact O-N 3.37Å
304S95.2Very high96.4Very high86 Ų8648.6 Ų48.660%0.60128%0.282SS*.Hα-helixtrans-119.92.9172.962.70000113.8N301 S302N301-S304 PolarHBondContact O-N 2.7Å; N301-S304 PolarHBondContact O-OG 2.88Å; S302-S304 PolarHBondContact O-N 3.1Å; S302-S304 VanDerWaalsContact O-N 3.09Å
305L96.3Very high96.2Very high14 Ų1451.9 Ų51.97%0.07330%0.304CS..Hα-helixtrans-114.6-27.9177.6-66.6-179.8000112.7K188 V193 A260 L298 N301 S302K188-L305 HydrophobicContact CD-CD2 4.14Å; V193-L305 HydrophobicContact CG1-CD1 4.38Å; V193-L305 HydrophobicContact CG1-CD2 4.3Å; V193-L305 HydrophobicContact CG2-CD2 3.71Å; A260-L305 HydrophobicContact CB-CB 3.94Å; A260-L305 HydrophobicContact CB-CD2 4.33Å; A260-L305 WeakPolarHBondContact CB-O 3.42Å; L298-L305 HydrophobicContact CD2-CD1 3.66Å; N301-L305 HydrophobicContact CB-CD1 3.8Å; N301-L305 HydrophobicContact CB-CG 4.11Å; N301-L305 WeakPolarHBondContact O-CG 3.27Å; N301-L305 PolarHBondContact O-N 3.39Å; S302-L305 PolarHBondContact O-N 3.38Å; S302-L305 VanDerWaalsContact O-N 3.09Å
306F96.6Very high96Very high8 Ų855.9 Ų55.94%0.03533%0.329CS..  trans-126.4123.1179.9-47-75.4000109.2L164 W167 A260 P261 L264 L298 S302L164-F306 HydrophobicContact CD2-CD2 4.34Å; L164-F306 HydrophobicContact CD2-CE2 3.72Å; L164-F306 HydrophobicContact CD2-CZ 4.35Å; W167-F306 HydrophobicContact CD2-CB 3.48Å; W167-F306 VanDerWaalsContact CD2-CB 3.48Å; W167-F306 HydrophobicContact CD2-CG 4.15Å; W167-F306 HydrophobicContact CE3-CB 3.53Å; W167-F306 HydrophobicContact CE3-CG 4.49Å; W167-F306 HydrophobicContact CG-CB 4.05Å; W167-F306 HydrophobicContact CG-CD2 4.38Å; W167-F306 HydrophobicContact CG-CG 4.2Å; W167-F306 HydrophobicContact CH2-CB 3.96Å; W167-F306 WeakPolarHBondContact CH2-O 3.13Å; W167-F306 HydrophobicContact CZ2-CB 3.92Å; W167-F306 WeakPolarHBondContact CZ2-O 3.5Å; W167-F306 HydrophobicContact CZ3-CB 3.77Å; A260-F306 HydrophobicContact CB-CD1 4.48Å; A260-F306 HydrophobicContact CB-CE1 4.01Å; A260-F306 HydrophobicContact CB-CZ 4.44Å; P261-F306 HydrophobicContact CG-CD1 4.28Å; L264-F306 HydrophobicContact CB-CE1 3.94Å; L264-F306 HydrophobicContact CB-CZ 4.19Å; L264-F306 HydrophobicContact CD2-CE1 3.78Å; L264-F306 HydrophobicContact CD2-CZ 3.84Å; L264-F306 HydrophobicContact CG-CE1 4.48Å; L298-F306 HydrophobicContact CB-CE2 4.47Å; L298-F306 HydrophobicContact CB-CZ 4.47Å; S302-F306 PolarHBondContact O-N 3.41Å
307N93.5Very high95.8Very high70 Ų7054.2 Ų54.237%0.37432%0.324SS..  trans-153.4136.2179.6-176.5-1.7000109.3S309 D310N307-S309 PolarHBondContact ND2-OG 3.4Å; N307-S309 PolarHBondContact O-N 3.41Å; N307-S309 PolarHBondContact OD1-N 3.06Å; N307-S309 PolarHBondContact OD1-OG 3.03Å; N307-D310 PolarHBondContact O-N 3.35Å
308A92.4Very high95.7Very high52 Ų5254.4 Ų54.443%0.4333%0.325SS..G310 helixtrans-67.1-23.9175.700000112.4D310 Y311A308-D310 PolarHBondContact O-N 3.26Å; A308-Y311 PolarHBondContact O-N 3.49Å; A308-Y311 VanDerWaalsContact O-N 3.16Å
309S94.4Very high95.3Very high73 Ų7357.8 Ų57.851%0.5134%0.34SS..G310 helixtrans-78.69.8175.683.60000114.5N307N307-S309 PolarHBondContact ND2-OG 3.4Å; N307-S309 PolarHBondContact O-N 3.41Å; N307-S309 PolarHBondContact OD1-N 3.06Å; N307-S309 PolarHBondContact OD1-OG 3.03Å
310D95.9Very high95Very high31 Ų3164.8 Ų64.817%0.16636%0.363CS..G310 helixtrans-99.510.2165.4-66.2-46.6000112.1F182 H183 K187 N307 A308F182-D310 WeakPolarHBondContact CA-O 3.36Å; F182-D310 HydrophobicContact CD2-CB 4.1Å; F182-D310 WeakPolarHBondContact CD2-O 3.38Å; F182-D310 HydrophobicContact CE2-CB 3.53Å; F182-D310 HydrophobicContact CZ-CB 4.16Å; H183-D310 PolarHBondContact CD2-O 2.9Å; H183-D310 PolarHBondContact N-O 3.19Å; K187-D310 WeakPolarHBondContact CD-OD1 3.4Å; K187-D310 WeakPolarHBondContact CE-OD1 3.48Å; K187-D310 IonicContact NZ-OD1 2.82Å; K187-D310 PolarHBondContact NZ-OD1 3.07Å; N307-D310 PolarHBondContact O-N 3.35Å; A308-D310 PolarHBondContact O-N 3.26Å
311Y97.8Very high94.6Very high20 Ų2064.4 Ų64.48%0.07836%0.362CS..EExtended strand (participates in β ladder)trans-117.7149.5173.7-61.5-103.3000111.3D171 L174 I175 L181 F182 P261 A308D171-Y311 PolarHBondContact OD1-OH 3.23Å; D171-Y311 VanDerWaalsContact OD1-OH 3.11Å; L174-Y311 HydrophobicContact CB-CD1 4.3Å; L174-Y311 HydrophobicContact CD1-CD1 4.29Å; L174-Y311 HydrophobicContact CD1-CD2 3.84Å; L174-Y311 HydrophobicContact CD1-CE1 4.31Å; L174-Y311 HydrophobicContact CD1-CE2 3.86Å; L174-Y311 HydrophobicContact CD1-CG 4.07Å; I175-Y311 HydrophobicContact CD1-CE1 4.01Å; I175-Y311 HydrophobicContact CG1-CD1 4.45Å; I175-Y311 HydrophobicContact CG1-CE1 4.18Å; L181-Y311 CarbonylContact O-C 3.54Å; L181-Y311 WeakPolarHBondContact O-CA 3.31Å; F182-Y311 HydrophobicContact CB-CD1 4.02Å; F182-Y311 HydrophobicContact CB-CE1 3.83Å; F182-Y311 HydrophobicContact CD2-CD1 4.42Å; F182-Y311 HydrophobicContact CD2-CD2 4.22Å; F182-Y311 HydrophobicContact CD2-CE1 4.03Å; F182-Y311 AromaticContact CD2-CE2 3.83Å; F182-Y311 HydrophobicContact CD2-CE2 3.83Å; F182-Y311 HydrophobicContact CD2-CG 4.5Å; F182-Y311 AromaticContact CD2-CZ 3.71Å; F182-Y311 HydrophobicContact CE2-CE2 4.44Å; F182-Y311 HydrophobicContact CG-CE1 4.43Å; P261-Y311 VanDerWaalsContact CB-OH 3.28Å; P261-Y311 WeakPolarHBondContact CB-OH 3.45Å; P261-Y311 WeakPolarHBondContact CG-OH 3.48Å; A308-Y311 PolarHBondContact O-N 3.49Å; A308-Y311 VanDerWaalsContact O-N 3.16Å
312E96.3Very high93.8Very high95 Ų9563.1 Ų63.144%0.44436%0.356SS..EExtended strand (participates in β ladder)trans-131.2147.2174.166.1-166.1137.500111.6Q180 L181 H183 A314Q180-E312 CarbonylContact C-O 3.48Å; Q180-E312 WeakPolarHBondContact CA-O 3.35Å; Q180-E312 WeakPolarHBondContact CB-O 3.39Å; L181-E312 PolarHBondContact N-O 2.65Å; L181-E312 PolarHBondContact O-N 2.88Å; H183-E312 IonicContact CE1-OE1 3.41Å; H183-E312 PolarHBondContact CE1-OE1 3.48Å; H183-E312 IonicContact CE1-OE2 3.43Å; H183-E312 PolarHBondContact CE1-OE2 3.32Å; H183-E312 IonicContact CG-OE1 3.7Å; H183-E312 IonicContact ND1-OE1 2.77Å; H183-E312 PolarHBondContact ND1-OE1 3.17Å; H183-E312 IonicContact ND1-OE2 3.64Å; E312-A314 PolarHBondContact O-N 2.87Å
313V96.8Very high92.4Very high101 Ų10169.1 Ų69.161%0.61239%0.391SS*.EExtended strand (participates in β ladder)trans-63.9124173.31800000109.2Q180Q180-V313 HydrophobicContact CG-CG2 4.17Å
314A96.6Very high92.3Very high5 Ų567.9 Ų67.94%0.04137%0.372CS..PPolyproline II helixtrans-64.7138.9-176.800000111.7K179 L181 F237 E312 Y318 H319K179-A314 VanDerWaalsContact O-CB 3.31Å; K179-A314 WeakPolarHBondContact O-CB 3.42Å; K179-A314 PolarHBondContact O-N 3.48Å; L181-A314 HydrophobicContact CD1-CB 3.84Å; L181-A314 HydrophobicContact CG-CB 4.07Å; F237-A314 HydrophobicContact CE1-CB 3.83Å; F237-A314 HydrophobicContact CZ-CB 3.75Å; E312-A314 PolarHBondContact O-N 2.87Å; A314-Y318 HydrophobicContact CB-CD1 3.77Å; A314-Y318 HydrophobicContact CB-CG 4.17Å; A314-H319 PolarHBondContact O-NE2 3.06Å
315P94.9Very high92.2Very high70 Ų7066.9 Ų66.946%0.45536%0.36SS..PPolyproline II helixtrans-68.5156.6-178.926.5-33.6000112E317 Y318 H319P315-E317 PolarHBondContact O-N 2.81Å; P315-Y318 WeakPolarHBondContact O-CA 3.28Å; P315-Y318 VanDerWaalsContact O-CB 3.31Å; P315-Y318 WeakPolarHBondContact O-CB 3.42Å; P315-Y318 PolarHBondContact O-N 3.42Å; P315-H319 PolarHBondContact O-CD2 2.86Å; P315-H319 PolarHBondContact O-N 3.49Å
316P93.1Very high92Very high83 Ų8369.9 Ų69.954%0.53938%0.376SS..Hα-helixtrans-54.7-30.7-179.4-27.135.9000114.3H319 R320P316-H319 WeakPolarHBondContact O-CB 3.29Å; P316-H319 PolarHBondContact O-N 2.91Å; P316-R320 PolarHBondContact O-N 3.16Å
317E93.4Very high91.7Very high101 Ų10173.5 Ų73.547%0.47240%0.396SS..Hα-helixtrans-66.4-39176.4-71.552.6-119.900111.3P315 R320P315-E317 PolarHBondContact O-N 2.81Å; E317-R320 PolarHBondContact O-N 3.22Å; E317-R320 IonicContact OE1-CZ 3.37Å; E317-R320 VanDerWaalsContact OE1-CZ 3.27Å; E317-R320 IonicContact OE1-NH1 3.47Å; E317-R320 PolarHBondContact OE1-NH1 2.87Å; E317-R320 IonicContact OE1-NH2 2.8Å; E317-R320 PolarHBondContact OE1-NH2 2.97Å
318Y95.9Very high91.6Very high18 Ų1873.8 Ų73.87%0.07140%0.397CS..Hα-helixtrans-67.3-41.6175.2-174.5-83.5000111.2L181 F237 P240 Q241 A314 P315 R320 K321 A322L181-Y318 HydrophobicContact CD1-CD1 3.9Å; L181-Y318 HydrophobicContact CD1-CD2 3.85Å; L181-Y318 HydrophobicContact CD1-CE1 3.66Å; L181-Y318 HydrophobicContact CD1-CE2 3.6Å; L181-Y318 HydrophobicContact CD1-CG 4Å; L181-Y318 HydrophobicContact CD2-CE1 3.96Å; L181-Y318 HydrophobicContact CG-CE1 4.27Å; F237-Y318 HydrophobicContact CD1-CE1 4.37Å; F237-Y318 HydrophobicContact CD2-CE1 4.5Å; F237-Y318 HydrophobicContact CE1-CD1 4.32Å; F237-Y318 HydrophobicContact CE1-CE1 4.03Å; F237-Y318 HydrophobicContact CE2-CD1 4.29Å; F237-Y318 HydrophobicContact CE2-CE1 4.17Å; F237-Y318 AromaticContact CZ-CD1 3.9Å; F237-Y318 HydrophobicContact CZ-CD1 3.9Å; F237-Y318 AromaticContact CZ-CE1 3.92Å; F237-Y318 HydrophobicContact CZ-CE1 3.92Å; F237-Y318 VanDerWaalsContact O-CE1 3.26Å; F237-Y318 WeakPolarHBondContact O-CE1 3.48Å; F237-Y318 PolarHBondContact O-OH 2.89Å; P240-Y318 HydrophobicContact CB-CD2 4.48Å; P240-Y318 HydrophobicContact CB-CE2 3.76Å; P240-Y318 WeakPolarHBondContact CD-OH 3.45Å; P240-Y318 HydrophobicContact CG-CE1 4.47Å; Q241-Y318 HydrophobicContact CB-CE2 3.81Å; Q241-Y318 WeakPolarHBondContact CB-OH 3.26Å; Q241-Y318 PolarHBondContact N-OH 3.37Å; A314-Y318 HydrophobicContact CB-CD1 3.77Å; A314-Y318 HydrophobicContact CB-CG 4.17Å; P315-Y318 WeakPolarHBondContact O-CA 3.28Å; P315-Y318 VanDerWaalsContact O-CB 3.31Å; P315-Y318 WeakPolarHBondContact O-CB 3.42Å; P315-Y318 PolarHBondContact O-N 3.42Å; Y318-R320 PolarHBondContact O-N 2.67Å; Y318-K321 WeakPolarHBondContact O-CA 3.46Å; Y318-K321 WeakPolarHBondContact O-CB 3.19Å; Y318-K321 PolarHBondContact O-N 2.66Å; Y318-A322 HydrophobicContact CD1-CB 4.24Å; Y318-A322 HydrophobicContact CE1-CB 3.95Å; Y318-A322 PolarHBondContact O-N 2.82Å
319H90.4Very high91.5Very high70 Ų7075.2 Ų75.232%0.32440%0.395SS..Hα-helixtrans-54.7-38.5176.1-81.4-129.5000111.9F237 A314 P315 P316 K321 A322 V323F237-H319 AromaticContact CZ-CD2 3.88Å; F237-H319 AromaticContact CZ-NE2 3.74Å; A314-H319 PolarHBondContact O-NE2 3.06Å; P315-H319 PolarHBondContact O-CD2 2.86Å; P315-H319 PolarHBondContact O-N 3.49Å; P316-H319 WeakPolarHBondContact O-CB 3.29Å; P316-H319 PolarHBondContact O-N 2.91Å; H319-K321 VanDerWaalsContact C-N 3.29Å; H319-K321 PolarHBondContact O-N 2.86Å; H319-A322 PolarHBondContact O-N 3.43Å; H319-A322 VanDerWaalsContact O-N 3.08Å; H319-V323 WeakPolarHBondContact O-CG2 3.39Å
320R90.4Very high91.3Very high178 Ų17875.4 Ų75.467%0.67239%0.387SS*.Hα-helixtrans-64.3-28.6176.5-61.8177.1-159.3129.717.6113.2P316 E317 Y318P316-R320 PolarHBondContact O-N 3.16Å; E317-R320 PolarHBondContact O-N 3.22Å; E317-R320 IonicContact OE1-CZ 3.37Å; E317-R320 VanDerWaalsContact OE1-CZ 3.27Å; E317-R320 IonicContact OE1-NH1 3.47Å; E317-R320 PolarHBondContact OE1-NH1 2.87Å; E317-R320 IonicContact OE1-NH2 2.8Å; E317-R320 PolarHBondContact OE1-NH2 2.97Å; Y318-R320 PolarHBondContact O-N 2.67Å
321K89.1Confident91Very high116 Ų11678.8 Ų78.850%0.50440%0.404SS..Hα-helixtrans-76.8-21.6172.5-59.5-172-179.7-177.40113.3P240 D244 Y318 H319P240-K321 HydrophobicContact CB-CB 3.61Å; P240-K321 HydrophobicContact CB-CD 3.89Å; P240-K321 HydrophobicContact CB-CG 4.43Å; P240-K321 HydrophobicContact CG-CB 3.7Å; P240-K321 WeakPolarHBondContact CG-O 3.42Å; D244-K321 IonicContact OD1-NZ 2.66Å; D244-K321 PolarHBondContact OD1-NZ 3.46Å; D244-K321 IonicContact OD2-NZ 3.49Å; D244-K321 PolarHBondContact OD2-NZ 3.27Å; Y318-K321 WeakPolarHBondContact O-CA 3.46Å; Y318-K321 WeakPolarHBondContact O-CB 3.19Å; Y318-K321 PolarHBondContact O-N 2.66Å; H319-K321 VanDerWaalsContact C-N 3.29Å; H319-K321 PolarHBondContact O-N 2.86Å
322A81.4Confident90.4Very high11 Ų1183.7 Ų83.79%0.09143%0.431CS..  trans-104.31.5-16100000116.1F237 P240 Y318 H319F237-A322 HydrophobicContact CD2-CB 3.62Å; F237-A322 HydrophobicContact CE2-CB 3.65Å; P240-A322 HydrophobicContact CG-CB 3.94Å; Y318-A322 HydrophobicContact CD1-CB 4.24Å; Y318-A322 HydrophobicContact CE1-CB 3.95Å; Y318-A322 PolarHBondContact O-N 2.82Å; H319-A322 PolarHBondContact O-N 3.43Å; H319-A322 VanDerWaalsContact O-N 3.08Å
323V66.7Low89.9Confident156 Ų15682.6 Ų82.695%0.94543%0.43SS*.  trans-63.60-173.41760000113.6K236 H319K236-V323 WeakPolarHBondContact CE-O 3.38Å; K236-V323 PolarHBondContact NZ-O 3.41Å; K236-V323 PolarHBondContact NZ-OXT 2.77Å; H319-V323 WeakPolarHBondContact O-CG2 3.39Å

Retrieved 323 of 323 residues in 223.7 ms (Link to these results)

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