A0A096MM11_PAPAN Loading...

calcium/calmodulin-dependent protein kinase

AlphaFold DB (A0A2K5L9M2), UniProt , Accession A0A096MM11, Species PAPAN (Papio anubis, Olive baboon), Gene CAMK1, Length 370 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low49.6Very low235 Ų235119.5 Ų119.5100%1.15868%0.678SS**  099.70-63.5-65.3-166.700107.5
2P39.7Very low52.6Low131 Ų131120.4 Ų120.485%0.85167%0.672SS**PPolyproline II helixtrans-73.8126.3166.8-0.718.9000107.5A4P2-A4 PolarHBondContact O-N 3.11Å
3G34.9Very low55.2Low68 Ų68112 Ų11270%0.70163%0.627SS**PPolyproline II helixtrans-59133.4-179.100000111.5V5G3-V5 PolarHBondContact O-N 3.19Å
4A35Very low57.3Low95 Ų95118.1 Ų118.179%0.78565%0.648SS**PPolyproline II helixtrans-57.6119.4168.600000108.2P2 E6P2-A4 PolarHBondContact O-N 3.11Å; A4-E6 PolarHBondContact O-N 3.48Å; A4-E6 VanDerWaalsContact O-N 3.11Å
5V39.7Very low59.5Low141 Ų141114.9 Ų114.986%0.85563%0.63SS**  trans-68.6106.1169.3-177.20000105.6G3 G7G3-V5 PolarHBondContact O-N 3.19Å; V5-G7 PolarHBondContact O-N 3.02Å
6E43Very low61.6Low176 Ų176107.8 Ų107.882%0.82259%0.591SS**  trans-57.8110.3173-74.3-175.2151.100108.1A4A4-E6 PolarHBondContact O-N 3.48Å; A4-E6 VanDerWaalsContact O-N 3.11Å
7G47.3Very low63.5Low48 Ų48110.4 Ų110.450%0.49559%0.59SS.*  trans-63162.3169.600000110.5V5 R9V5-G7 PolarHBondContact O-N 3.02Å; G7-R9 PolarHBondContact O-N 2.9Å
8P50.7Low65.2Low56 Ų56110.4 Ų110.436%0.36459%0.59SS.*  trans-58.6110.317823.4-30.1000109.3A68 H71P8-A68 HydrophobicContact CG-CB 4.41Å; P8-H71 HydrophobicContact CG-CB 4.33Å
9R62.7Low66.8Low224 Ų224107.2 Ų107.285%0.84557%0.572SS**PPolyproline II helixtrans-75.2125.7178.6-161.2172.7-178.5171.5-0.5107.4G7 K11G7-R9 PolarHBondContact O-N 2.9Å; R9-K11 PolarHBondContact O-N 2.77Å
10W74.8Confident68.3Low60 Ų60102.3 Ų102.323%0.22755%0.545CS..PPolyproline II helixtrans-50134.3176.8-57.3-27.5000110.8Q12 E64 E86W10-Q12 PolarHBondContact O-N 2.73Å; W10-E64 HydrophobicContact CH2-CG 3.71Å; W10-E64 HydrophobicContact CZ2-CB 4.42Å; W10-E64 HydrophobicContact CZ2-CG 3.29Å; W10-E86 HydrophobicContact CB-CB 4.41Å; W10-E86 VanDerWaalsContact CE3-CD 3.48Å; W10-E86 WeakPolarHBondContact CZ3-OE2 3.38Å
11K83.6Confident69.6Low81 Ų81100.8 Ų100.835%0.35254%0.538SS..EExtended strand (participates in β ladder)trans-78.1119.8171.6-66.5176.2178.41710107.5R9 D83 I84 Y85 E86R9-K11 PolarHBondContact O-N 2.77Å; K11-D83 VanDerWaalsContact CE-OD1 3.28Å; K11-D83 WeakPolarHBondContact CE-OD1 3.44Å; K11-D83 IonicContact NZ-OD1 3.24Å; K11-D83 PolarHBondContact NZ-OD1 3.17Å; K11-D83 IonicContact NZ-OD2 3.36Å; K11-D83 PolarHBondContact NZ-OD2 3.28Å; K11-I84 PolarHBondContact N-O 3.48Å; K11-Y85 HydrophobicContact CB-CD1 3.42Å; K11-Y85 VanDerWaalsContact CB-CD1 3.42Å; K11-Y85 HydrophobicContact CB-CE1 3.42Å; K11-Y85 VanDerWaalsContact CB-CE1 3.42Å; K11-Y85 HydrophobicContact CB-CG 4.09Å; K11-Y85 HydrophobicContact CD-CD1 4.39Å; K11-Y85 HydrophobicContact CD-CE1 3.68Å; K11-Y85 HydrophobicContact CD-CE2 4.03Å; K11-Y85 VanDerWaalsContact CD-CZ 3.47Å; K11-Y85 WeakPolarHBondContact CD-OH 3.4Å; K11-Y85 HydrophobicContact CG-CE1 4.19Å; K11-Y85 CarbonylContact O-C 3.55Å; K11-Y85 VanDerWaalsContact O-CA 3.24Å; K11-Y85 WeakPolarHBondContact O-CA 3.48Å; K11-E86 PolarHBondContact O-N 3.19Å
12Q85.7Confident72.5Confident130 Ų13092.2 Ų92.261%0.60749%0.494SS*.EExtended strand (participates in β ladder)trans-75.4132.4172.4-63.6-61.5-45.300108.9W10 E86W10-Q12 PolarHBondContact O-N 2.73Å; Q12-E86 PolarHBondContact NE2-OE2 3.01Å
13A85.9Confident75.1Confident11 Ų1191.7 Ų91.79%0.09148%0.475CS..  trans-129.9127.6169.100000108.7I19 Y85 E86 S87A13-I19 HydrophobicContact CB-CD1 4.11Å; A13-Y85 HydrophobicContact CB-CD1 3.89Å; A13-E86 PolarHBondContact N-O 3.21Å; A13-S87 WeakPolarHBondContact O-CA 3.42Å; A13-S87 VanDerWaalsContact O-CB 3.28Å; A13-S87 WeakPolarHBondContact O-CB 3.09Å
14E85.4Confident77.7Confident198 Ų19893.8 Ų93.893%0.92547%0.47SS*.SBendtrans-63.6-49.7171.9-68.8-172173.700109.9
15D89.8Confident80.3Confident69 Ų6992.8 Ų92.837%0.36945%0.454SS..  trans-132.4124.7167-166.9-17000110.2R17 D18D15-R17 PolarHBondContact O-N 3.36Å; D15-R17 VanDerWaalsContact OD1-CB 3.3Å; D15-R17 WeakPolarHBondContact OD1-CB 3.45Å; D15-R17 WeakPolarHBondContact OD1-CG 3.28Å; D15-R17 PolarHBondContact OD1-N 3.17Å; D15-D18 WeakPolarHBondContact O-CB 3.49Å; D15-D18 PolarHBondContact O-N 3.31Å; D15-D18 VanDerWaalsContact O-N 3.13Å
16I93.8Very high82.3Confident1 Ų190.4 Ų90.41%0.00544%0.436CS..G310 helixtrans-62.3-25176.4-166.858.8000112D18 I19 Y20 F22 Y85 Y92I16-D18 PolarHBondContact O-N 3.22Å; I16-I19 PolarHBondContact O-N 2.98Å; I16-Y20 HydrophobicContact CD1-CD2 3.75Å; I16-Y20 HydrophobicContact CD1-CE2 3.95Å; I16-Y20 HydrophobicContact CG1-CD2 4.02Å; I16-Y20 PolarHBondContact O-N 3.02Å; I16-F22 HydrophobicContact CG1-CE1 4.4Å; I16-F22 HydrophobicContact CG1-CZ 4.47Å; I16-F22 HydrophobicContact CG2-CE1 3.87Å; I16-F22 HydrophobicContact CG2-CE2 4.37Å; I16-F22 HydrophobicContact CG2-CZ 3.46Å; I16-F22 VanDerWaalsContact CG2-CZ 3.46Å; I16-Y85 HydrophobicContact CD1-CD1 4.15Å; I16-Y85 HydrophobicContact CD1-CD2 3.88Å; I16-Y85 HydrophobicContact CD1-CG 3.63Å; I16-Y92 HydrophobicContact CB-CD1 4.28Å; I16-Y92 HydrophobicContact CB-CD2 4.06Å; I16-Y92 HydrophobicContact CB-CE1 4.17Å; I16-Y92 HydrophobicContact CB-CE2 3.93Å; I16-Y92 HydrophobicContact CB-CG 4.23Å; I16-Y92 HydrophobicContact CD1-CD2 4.41Å; I16-Y92 HydrophobicContact CD1-CG 4.39Å; I16-Y92 HydrophobicContact CG1-CD1 4.15Å; I16-Y92 HydrophobicContact CG1-CD2 4.17Å; I16-Y92 HydrophobicContact CG1-CG 3.96Å; I16-Y92 HydrophobicContact CG2-CD1 3.99Å; I16-Y92 HydrophobicContact CG2-CD2 4.5Å; I16-Y92 HydrophobicContact CG2-CE1 3.56Å; I16-Y92 HydrophobicContact CG2-CE2 4.1Å; I16-Y92 HydrophobicContact CG2-CG 4.44Å
17R93.1Very high84Confident152 Ų15283.3 Ų83.357%0.57441%0.411SS*.G310 helixtrans-69.4-13.5178.3-64176.5172.9-164.1-1.6113D15 Y20 K40D15-R17 PolarHBondContact O-N 3.36Å; D15-R17 VanDerWaalsContact OD1-CB 3.3Å; D15-R17 WeakPolarHBondContact OD1-CB 3.45Å; D15-R17 WeakPolarHBondContact OD1-CG 3.28Å; D15-R17 PolarHBondContact OD1-N 3.17Å; R17-Y20 WeakPolarHBondContact CA-O 3.27Å; R17-K40 VanDerWaalsContact O-CE 3.3Å; R17-K40 WeakPolarHBondContact O-CE 3.4Å; R17-K40 PolarHBondContact O-NZ 3Å
18D93.8Very high85.3Confident112 Ų11286.4 Ų86.460%0.59942%0.42SS*.G310 helixtrans-73.4-21.3171.1-68.5-28.9000112.1D15 I16 K40D15-D18 WeakPolarHBondContact O-CB 3.49Å; D15-D18 PolarHBondContact O-N 3.31Å; D15-D18 VanDerWaalsContact O-N 3.13Å; I16-D18 PolarHBondContact O-N 3.22Å; D18-K40 WeakPolarHBondContact O-CD 3.46Å
19I95.6Very high86.1Confident49 Ų4985.7 Ų85.725%0.25142%0.423SS..THydrogen-bonded Turntrans-104.6-36.6-176.1-50.9177.5000111A13 I16 K40 Y85A13-I19 HydrophobicContact CB-CD1 4.11Å; I16-I19 PolarHBondContact O-N 2.98Å; I19-K40 WeakPolarHBondContact O-CB 3.35Å; I19-K40 WeakPolarHBondContact O-CG 3.41Å; I19-K40 PolarHBondContact O-N 3.36Å; I19-Y85 HydrophobicContact CD1-CD1 3.83Å; I19-Y85 HydrophobicContact CD1-CE1 3.27Å
20Y96.6Very high86.1Confident8 Ų879.3 Ų79.33%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-125.4137.3-175.7-63.8-87000112.3I16 R17 E38 D39 V46 I48 Y85 I94I16-Y20 HydrophobicContact CD1-CD2 3.75Å; I16-Y20 HydrophobicContact CD1-CE2 3.95Å; I16-Y20 HydrophobicContact CG1-CD2 4.02Å; I16-Y20 PolarHBondContact O-N 3.02Å; R17-Y20 WeakPolarHBondContact CA-O 3.27Å; Y20-E38 CarbonylContact C-O 3.6Å; Y20-E38 VanDerWaalsContact CA-O 3.26Å; Y20-E38 WeakPolarHBondContact CA-O 3.48Å; Y20-D39 HydrophobicContact CD1-CB 4Å; Y20-D39 HydrophobicContact CE1-CB 3.72Å; Y20-V46 HydrophobicContact CD1-CG2 3.78Å; Y20-V46 HydrophobicContact CE1-CG2 3.74Å; Y20-I48 HydrophobicContact CD1-CD1 3.95Å; Y20-I48 HydrophobicContact CD2-CD1 3.89Å; Y20-I48 HydrophobicContact CG-CD1 3.59Å; Y20-Y85 HydrophobicContact CE2-CD2 4.35Å; Y20-Y85 AromaticContact CE2-CE2 3.93Å; Y20-Y85 HydrophobicContact CE2-CE2 3.93Å; Y20-I94 HydrophobicContact CD2-CD1 4.26Å; Y20-I94 HydrophobicContact CE1-CG2 4.18Å; Y20-I94 HydrophobicContact CE2-CD1 3.67Å; Y20-I94 HydrophobicContact CE2-CG1 4.15Å
21D97.1Very high85.9Confident72 Ų7283.5 Ų83.539%0.38544%0.438SS..EExtended strand (participates in β ladder)trans-85.7109.8168.8-75.1-41.1000109.8A37 E38 K40D21-A37 CarbonylContact O-C 3.53Å; D21-A37 WeakPolarHBondContact O-CA 3.47Å; D21-A37 WeakPolarHBondContact O-CB 3.5Å; D21-E38 HydrophobicContact CB-CB 4.44Å; D21-E38 PolarHBondContact N-O 2.92Å; D21-E38 PolarHBondContact O-N 3.04Å; D21-K40 WeakPolarHBondContact OD1-CE 3.24Å; D21-K40 IonicContact OD1-NZ 2.73Å; D21-K40 WeakPolarHBondContact OD2-CG 3.4Å
22F95.5Very high85.7Confident55 Ų5580.9 Ų80.924%0.24143%0.43CS..EExtended strand (participates in β ladder)trans-74.5138.7-180-78.525.9000110.6I16 I35 A37 I48I16-F22 HydrophobicContact CG1-CE1 4.4Å; I16-F22 HydrophobicContact CG1-CZ 4.47Å; I16-F22 HydrophobicContact CG2-CE1 3.87Å; I16-F22 HydrophobicContact CG2-CE2 4.37Å; I16-F22 HydrophobicContact CG2-CZ 3.46Å; I16-F22 VanDerWaalsContact CG2-CZ 3.46Å; F22-I35 HydrophobicContact CB-CG2 4.07Å; F22-I35 HydrophobicContact CD2-CD1 3.58Å; F22-I35 HydrophobicContact CD2-CG2 3.87Å; F22-I35 HydrophobicContact CE2-CD1 3.48Å; F22-I35 VanDerWaalsContact CE2-CD1 3.48Å; F22-I35 HydrophobicContact CE2-CG2 4.47Å; F22-I35 HydrophobicContact CG-CG2 3.99Å; F22-I35 HydrophobicContact CZ-CD1 4.49Å; F22-A37 HydrophobicContact CD1-CB 4.01Å; F22-A37 HydrophobicContact CE1-CB 4.45Å; F22-I48 HydrophobicContact CD1-CD1 4.44Å; F22-I48 HydrophobicContact CE1-CD1 3.72Å; F22-I48 HydrophobicContact CZ-CD1 4.34Å
23R93.7Very high85.7Confident119 Ų11978.1 Ų78.145%0.44942%0.417SS..EExtended strand (participates in β ladder)trans-121.6-131.3178.4-54.1-172.3179.7-170-0.4109.5L36 E38R23-L36 WeakPolarHBondContact CA-O 3.34Å; R23-L36 HydrophobicContact CB-CB 4.26Å; R23-L36 HydrophobicContact CB-CD2 4.17Å; R23-L36 HydrophobicContact CB-CG 4.08Å; R23-L36 WeakPolarHBondContact CB-O 3.23Å; R23-L36 PolarHBondContact N-O 3.31Å; R23-E38 IonicContact CZ-OE2 3.57Å; R23-E38 IonicContact NE-OE2 2.72Å; R23-E38 IonicContact NH2-OE1 3.78Å; R23-E38 IonicContact NH2-OE2 3.58Å; R23-E38 PolarHBondContact NH2-OE2 2.71Å
24D89.6Confident85.7Confident113 Ų11379 Ų7960%0.60442%0.421SS*.EExtended strand (participates in β ladder)trans-72.3148.6-175.2-54.3-63.5000112.8L26 L36D24-L26 PolarHBondContact O-N 2.92Å; D24-L36 WeakPolarHBondContact O-CB 3.42Å; D24-L36 PolarHBondContact O-N 3.18Å
25V88.6Confident86Confident73 Ų7370.1 Ų70.144%0.44238%0.38SS..EExtended strand (participates in β ladder)trans-75.9120.8168.2178.80000108.3E33V25-E33 HydrophobicContact CG1-CG 3.74Å; V25-E33 HydrophobicContact CG2-CG 4.38Å; V25-E33 WeakPolarHBondContact CG2-OE1 3.34Å
26L82.8Confident86.2Confident91 Ų9167.9 Ų67.948%0.47637%0.368SS..EExtended strand (participates in β ladder)trans-86.3-30.1178.4-61.3178.2000111.9D24 V34 L36 A47 L97D24-L26 PolarHBondContact O-N 2.92Å; L26-V34 HydrophobicContact CB-CB 4.44Å; L26-V34 HydrophobicContact CB-CG1 4.2Å; L26-V34 HydrophobicContact CD1-CG1 4.37Å; L26-V34 PolarHBondContact N-O 3.41Å; L26-L36 HydrophobicContact CD1-CB 4.01Å; L26-L36 HydrophobicContact CD2-CB 4.01Å; L26-L36 HydrophobicContact CG-CB 3.94Å; L26-A47 HydrophobicContact CD1-CB 4.09Å; L26-L97 HydrophobicContact CD1-CD1 3.87Å
27G77.5Confident86.3Confident28 Ų2867.9 Ų67.929%0.28937%0.368SS..EExtended strand (participates in β ladder)trans-169.3154.6178.500000113.2V34G27-V34 PolarHBondContact N-O 2.72Å; G27-V34 PolarHBondContact O-N 3.31Å
28T75Confident86.4Confident112 Ų11262.1 Ų62.169%0.68735%0.347SS*.EExtended strand (participates in β ladder)trans-128.7125.4179.5-47.30000109.3
29G67.3Low86.5Confident41 Ų4157.7 Ų57.742%0.42332%0.324SS..  trans-110.3180172.300000111.7F31 S32G29-F31 VanDerWaalsContact C-N 3.28Å; G29-F31 PolarHBondContact O-N 2.85Å; G29-S32 WeakPolarHBondContact CA-O 3.42Å; G29-S32 PolarHBondContact N-O 3.45Å
30A63.5Low86.6Confident91 Ų9159.4 Ų59.475%0.75233%0.329SS*.SBendtrans-60.6-35.1-176.600000113.8
31F70.4Confident86.5Confident148 Ų14869.1 Ų69.165%0.64937%0.366SS*.SBendtrans-134.112-176.9-54.2-70.6000113.4G29 A52 A55G29-F31 VanDerWaalsContact C-N 3.28Å; G29-F31 PolarHBondContact O-N 2.85Å; F31-A52 PolarHBondContact O-N 3.45Å; F31-A55 HydrophobicContact CB-CB 3.62Å; F31-A55 HydrophobicContact CD1-CB 4Å; F31-A55 HydrophobicContact CD2-CB 4.48Å; F31-A55 HydrophobicContact CG-CB 3.78Å
32S78.3Confident86.4Confident25 Ų2568.7 Ų68.718%0.17537%0.366CS..EExtended strand (participates in β ladder)trans-146.8150.8-176.563.80000112.3G29 K49 C50G29-S32 WeakPolarHBondContact CA-O 3.42Å; G29-S32 PolarHBondContact N-O 3.45Å; S32-K49 VanDerWaalsContact OG-CE 3.3Å; S32-K49 WeakPolarHBondContact OG-CE 3.4Å; S32-C50 CarbonylContact C-O 3.59Å; S32-C50 WeakPolarHBondContact CA-O 3.45Å; S32-C50 VanDerWaalsContact CB-O 3.3Å; S32-C50 WeakPolarHBondContact CB-O 3.41Å
33E85.7Confident86.4Confident73 Ų7371.6 Ų71.634%0.34138%0.381SS..EExtended strand (participates in β ladder)trans-126.3138.4172.7-172.1174.1-124.700109V25 I35 K49 C50V25-E33 HydrophobicContact CG1-CG 3.74Å; V25-E33 HydrophobicContact CG2-CG 4.38Å; V25-E33 WeakPolarHBondContact CG2-OE1 3.34Å; E33-I35 HydrophobicContact CG-CD1 4.36Å; E33-I35 HydrophobicContact CG-CG1 3.93Å; E33-I35 WeakPolarHBondContact OE2-CD1 3.48Å; E33-K49 CarbonylContact O-C 3.4Å; E33-K49 WeakPolarHBondContact O-CA 3.5Å; E33-C50 PolarHBondContact N-O 3.21Å; E33-C50 PolarHBondContact O-N 2.92Å
34V87.6Confident86.5Confident29 Ų2970.7 Ų70.718%0.17638%0.38CS..EExtended strand (participates in β ladder)trans-106.4121.9175.5-172.90000108.1L26 G27 A47 I48 K49 M95L26-V34 HydrophobicContact CB-CB 4.44Å; L26-V34 HydrophobicContact CB-CG1 4.2Å; L26-V34 HydrophobicContact CD1-CG1 4.37Å; L26-V34 PolarHBondContact N-O 3.41Å; G27-V34 PolarHBondContact N-O 2.72Å; G27-V34 PolarHBondContact O-N 3.31Å; V34-A47 HydrophobicContact CG1-CB 4.19Å; V34-I48 CarbonylContact C-O 3.51Å; V34-I48 WeakPolarHBondContact CA-O 3.43Å; V34-K49 HydrophobicContact CG2-CB 4.18Å; V34-K49 HydrophobicContact CG2-CD 4.29Å; V34-K49 HydrophobicContact CG2-CG 4.08Å; V34-M95 HydrophobicContact CG1-CE 4.28Å
35I91.6Very high86.6Confident12 Ų1268.5 Ų68.56%0.06237%0.368CS..EExtended strand (participates in β ladder)trans-121.2133.8-172.7-57.7173.5000109.1F22 E33 I48F22-I35 HydrophobicContact CB-CG2 4.07Å; F22-I35 HydrophobicContact CD2-CD1 3.58Å; F22-I35 HydrophobicContact CD2-CG2 3.87Å; F22-I35 HydrophobicContact CE2-CD1 3.48Å; F22-I35 VanDerWaalsContact CE2-CD1 3.48Å; F22-I35 HydrophobicContact CE2-CG2 4.47Å; F22-I35 HydrophobicContact CG-CG2 3.99Å; F22-I35 HydrophobicContact CZ-CD1 4.49Å; E33-I35 HydrophobicContact CG-CD1 4.36Å; E33-I35 HydrophobicContact CG-CG1 3.93Å; E33-I35 WeakPolarHBondContact OE2-CD1 3.48Å; I35-I48 PolarHBondContact N-O 2.98Å; I35-I48 PolarHBondContact O-N 3.32Å
36L93.3Very high86.9Confident22 Ų2265.1 Ų65.112%0.11535%0.347CS..EExtended strand (participates in β ladder)trans-69.3128.9166.1173.762.3000108.4R23 D24 L26 L45 L97R23-L36 WeakPolarHBondContact CA-O 3.34Å; R23-L36 HydrophobicContact CB-CB 4.26Å; R23-L36 HydrophobicContact CB-CD2 4.17Å; R23-L36 HydrophobicContact CB-CG 4.08Å; R23-L36 WeakPolarHBondContact CB-O 3.23Å; R23-L36 PolarHBondContact N-O 3.31Å; D24-L36 WeakPolarHBondContact O-CB 3.42Å; D24-L36 PolarHBondContact O-N 3.18Å; L26-L36 HydrophobicContact CD1-CB 4.01Å; L26-L36 HydrophobicContact CD2-CB 4.01Å; L26-L36 HydrophobicContact CG-CB 3.94Å; L36-L45 HydrophobicContact CD1-CB 4.37Å; L36-L45 HydrophobicContact CD1-CD2 4.42Å; L36-L97 HydrophobicContact CD1-CD1 3.86Å; L36-L97 HydrophobicContact CD1-CD2 3.58Å; L36-L97 HydrophobicContact CD1-CG 4.36Å
37A95.4Very high87.4Confident0 Ų061.2 Ų61.20%033%0.328CS..EExtended strand (participates in β ladder)trans-140.4162.2176.100000112.1D21 F22 L45 V46 I48D21-A37 CarbonylContact O-C 3.53Å; D21-A37 WeakPolarHBondContact O-CA 3.47Å; D21-A37 WeakPolarHBondContact O-CB 3.5Å; F22-A37 HydrophobicContact CD1-CB 4.01Å; F22-A37 HydrophobicContact CE1-CB 4.45Å; A37-L45 CarbonylContact O-C 3.59Å; A37-L45 WeakPolarHBondContact O-CA 3.28Å; A37-V46 HydrophobicContact CB-CG2 4.15Å; A37-V46 PolarHBondContact N-O 3.37Å; A37-V46 WeakPolarHBondContact O-CG2 3.43Å; A37-V46 PolarHBondContact O-N 3.11Å; A37-I48 HydrophobicContact CB-CD1 3.45Å; A37-I48 VanDerWaalsContact CB-CD1 3.45Å; A37-I48 HydrophobicContact CB-CG1 3.92Å
38E96.3Very high88.1Confident31 Ų3159.9 Ų59.915%0.14531%0.314CS..EExtended strand (participates in β ladder)trans-115.5128.2174.3-175.9172.6-162.300110Y20 D21 R23 K40 Q43 K44 L45Y20-E38 CarbonylContact C-O 3.6Å; Y20-E38 VanDerWaalsContact CA-O 3.26Å; Y20-E38 WeakPolarHBondContact CA-O 3.48Å; D21-E38 HydrophobicContact CB-CB 4.44Å; D21-E38 PolarHBondContact N-O 2.92Å; D21-E38 PolarHBondContact O-N 3.04Å; R23-E38 IonicContact CZ-OE2 3.57Å; R23-E38 IonicContact NE-OE2 2.72Å; R23-E38 IonicContact NH2-OE1 3.78Å; R23-E38 IonicContact NH2-OE2 3.58Å; R23-E38 PolarHBondContact NH2-OE2 2.71Å; E38-K40 PolarHBondContact O-N 2.8Å; E38-Q43 WeakPolarHBondContact OE1-CA 3.36Å; E38-Q43 WeakPolarHBondContact OE1-CB 3.35Å; E38-Q43 PolarHBondContact OE1-OE1 3.28Å; E38-K44 WeakPolarHBondContact CA-O 3.44Å; E38-L45 HydrophobicContact CB-CD2 3.94Å; E38-L45 HydrophobicContact CG-CD2 4.27Å
39D95.9Very high88.8Confident20 Ų2055 Ų5511%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-65.5116.6171.1176.3-27.5000109.1Y20 R41 T42 Q43 K44Y20-D39 HydrophobicContact CD1-CB 4Å; Y20-D39 HydrophobicContact CE1-CB 3.72Å; D39-R41 PolarHBondContact O-N 3.26Å; D39-R41 VanDerWaalsContact O-N 3.14Å; D39-R41 WeakPolarHBondContact OD1-CA 3.15Å; D39-R41 WeakPolarHBondContact OD1-CB 3.48Å; D39-R41 PolarHBondContact OD1-N 3.23Å; D39-T42 VanDerWaalsContact CB-OG1 3.23Å; D39-T42 WeakPolarHBondContact CB-OG1 3.48Å; D39-T42 PolarHBondContact O-N 3.31Å; D39-T42 PolarHBondContact OD1-N 3.42Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.42Å; D39-T42 PolarHBondContact OD2-OG1 3.05Å; D39-Q43 VanDerWaalsContact O-CA 3.23Å; D39-Q43 WeakPolarHBondContact O-CA 3.47Å; D39-Q43 PolarHBondContact O-N 3.49Å; D39-K44 PolarHBondContact N-O 3.4Å
40K96.5Very high89.9Confident84 Ų8453.8 Ų53.837%0.36527%0.268SS..THydrogen-bonded Turntrans-58.7-30.5-176.9-73.2178.6174.6-179.50113.4R17 D18 I19 D21 E38 Q43R17-K40 VanDerWaalsContact O-CE 3.3Å; R17-K40 WeakPolarHBondContact O-CE 3.4Å; R17-K40 PolarHBondContact O-NZ 3Å; D18-K40 WeakPolarHBondContact O-CD 3.46Å; I19-K40 WeakPolarHBondContact O-CB 3.35Å; I19-K40 WeakPolarHBondContact O-CG 3.41Å; I19-K40 PolarHBondContact O-N 3.36Å; D21-K40 WeakPolarHBondContact OD1-CE 3.24Å; D21-K40 IonicContact OD1-NZ 2.73Å; D21-K40 WeakPolarHBondContact OD2-CG 3.4Å; E38-K40 PolarHBondContact O-N 2.8Å; K40-Q43 PolarHBondContact O-NE2 3.14Å
41R95.3Very high90.9Very high212 Ų21249.6 Ų49.680%0.823%0.233SC*.THydrogen-bonded Turntrans-84.3-43-178.1-177.3-175.564.2107.23.1111.8D39D39-R41 PolarHBondContact O-N 3.26Å; D39-R41 VanDerWaalsContact O-N 3.14Å; D39-R41 WeakPolarHBondContact OD1-CA 3.15Å; D39-R41 WeakPolarHBondContact OD1-CB 3.48Å; D39-R41 PolarHBondContact OD1-N 3.23Å
42T95.6Very high91.6Very high63 Ų6344 Ų4439%0.38721%0.214SC..THydrogen-bonded Turntrans-99-12.2-173.167.10000113.9D39 K44D39-T42 VanDerWaalsContact CB-OG1 3.23Å; D39-T42 WeakPolarHBondContact CB-OG1 3.48Å; D39-T42 PolarHBondContact O-N 3.31Å; D39-T42 PolarHBondContact OD1-N 3.42Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.42Å; D39-T42 PolarHBondContact OD2-OG1 3.05Å; T42-K44 PolarHBondContact O-N 2.79Å; T42-K44 WeakPolarHBondContact OG1-CB 3.32Å; T42-K44 PolarHBondContact OG1-N 2.65Å
43Q95.3Very high91.7Very high117 Ų11745.5 Ų45.555%0.54722%0.218SC..  trans57.420.7-172.5-54.2-70.6-76.400112.5E38 D39 K40E38-Q43 WeakPolarHBondContact OE1-CA 3.36Å; E38-Q43 WeakPolarHBondContact OE1-CB 3.35Å; E38-Q43 PolarHBondContact OE1-OE1 3.28Å; D39-Q43 VanDerWaalsContact O-CA 3.23Å; D39-Q43 WeakPolarHBondContact O-CA 3.47Å; D39-Q43 PolarHBondContact O-N 3.49Å; K40-Q43 PolarHBondContact O-NE2 3.14Å
44K94.2Very high91.3Very high99 Ų9950.1 Ų50.143%0.4324%0.237SC..  trans-84.2131.5178.3-177.1-174.2172.5-165.10109.4E38 D39 T42 D82E38-K44 WeakPolarHBondContact CA-O 3.44Å; D39-K44 PolarHBondContact N-O 3.4Å; T42-K44 PolarHBondContact O-N 2.79Å; T42-K44 WeakPolarHBondContact OG1-CB 3.32Å; T42-K44 PolarHBondContact OG1-N 2.65Å; K44-D82 IonicContact NZ-OD2 3.52Å; K44-D82 PolarHBondContact NZ-OD2 3.04Å
45L93.6Very high90.3Very high67 Ų6750.8 Ų50.835%0.35125%0.245SC..EExtended strand (participates in β ladder)trans-75.8137.5170.7-61.8177.4000111.6L36 A37 E38 L97L36-L45 HydrophobicContact CD1-CB 4.37Å; L36-L45 HydrophobicContact CD1-CD2 4.42Å; A37-L45 CarbonylContact O-C 3.59Å; A37-L45 WeakPolarHBondContact O-CA 3.28Å; E38-L45 HydrophobicContact CB-CD2 3.94Å; E38-L45 HydrophobicContact CG-CD2 4.27Å; L45-L97 HydrophobicContact CB-CD2 3.71Å; L45-L97 HydrophobicContact CD1-CD2 4.29Å
46V94.1Very high89.1Confident3 Ų351 Ų512%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-139.2160.5-178.2-64.30000110.5Y20 A37 I48 I94Y20-V46 HydrophobicContact CD1-CG2 3.78Å; Y20-V46 HydrophobicContact CE1-CG2 3.74Å; A37-V46 HydrophobicContact CB-CG2 4.15Å; A37-V46 PolarHBondContact N-O 3.37Å; A37-V46 WeakPolarHBondContact O-CG2 3.43Å; A37-V46 PolarHBondContact O-N 3.11Å; V46-I48 HydrophobicContact CG2-CD1 4.24Å; V46-I48 HydrophobicContact CG2-CG1 3.92Å; V46-I94 HydrophobicContact CB-CG2 4.04Å; V46-I94 HydrophobicContact CG1-CG2 4.02Å; V46-I94 HydrophobicContact CG2-CG2 4.14Å
47A92.9Very high87.8Confident8 Ų856.7 Ų56.77%0.06627%0.272CS..EExtended strand (participates in β ladder)trans-102.7125165.700000108.8L26 V34 M95 L97L26-A47 HydrophobicContact CD1-CB 4.09Å; V34-A47 HydrophobicContact CG1-CB 4.19Å; A47-M95 HydrophobicContact CB-CB 4.47Å; A47-M95 HydrophobicContact CB-CE 4.26Å; A47-M95 PolarHBondContact N-O 2.9Å; A47-M95 WeakPolarHBondContact O-CA 3.26Å; A47-M95 WeakPolarHBondContact O-CB 3.2Å; A47-M95 PolarHBondContact O-N 2.95Å; A47-L97 HydrophobicContact CB-CD1 4.26Å
48I92.9Very high86.4Confident0 Ų060.1 Ų60.10%031%0.307CS..EExtended strand (participates in β ladder)trans-107.8113.2179.7-56.8-175.1000108.7Y20 F22 V34 I35 A37 V46 Y92 L93 I94Y20-I48 HydrophobicContact CD1-CD1 3.95Å; Y20-I48 HydrophobicContact CD2-CD1 3.89Å; Y20-I48 HydrophobicContact CG-CD1 3.59Å; F22-I48 HydrophobicContact CD1-CD1 4.44Å; F22-I48 HydrophobicContact CE1-CD1 3.72Å; F22-I48 HydrophobicContact CZ-CD1 4.34Å; V34-I48 CarbonylContact C-O 3.51Å; V34-I48 WeakPolarHBondContact CA-O 3.43Å; I35-I48 PolarHBondContact N-O 2.98Å; I35-I48 PolarHBondContact O-N 3.32Å; A37-I48 HydrophobicContact CB-CD1 3.45Å; A37-I48 VanDerWaalsContact CB-CD1 3.45Å; A37-I48 HydrophobicContact CB-CG1 3.92Å; V46-I48 HydrophobicContact CG2-CD1 4.24Å; V46-I48 HydrophobicContact CG2-CG1 3.92Å; I48-Y92 HydrophobicContact CG2-CD1 4.04Å; I48-Y92 HydrophobicContact CG2-CG 4.5Å; I48-L93 WeakPolarHBondContact CA-O 3.05Å; I48-I94 HydrophobicContact CB-CD1 4.41Å; I48-I94 HydrophobicContact CD1-CD1 3.79Å; I48-I94 HydrophobicContact CG1-CD1 3.74Å; I48-I94 HydrophobicContact CG2-CD1 4Å
49K89.5Confident84.8Confident11 Ų1161.1 Ų61.15%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-87.6107.8170.2-175.8166.7-179.5164.80109.3S32 E33 V34 I51 Y92 L93 M95 D162S32-K49 VanDerWaalsContact OG-CE 3.3Å; S32-K49 WeakPolarHBondContact OG-CE 3.4Å; E33-K49 CarbonylContact O-C 3.4Å; E33-K49 WeakPolarHBondContact O-CA 3.5Å; V34-K49 HydrophobicContact CG2-CB 4.18Å; V34-K49 HydrophobicContact CG2-CD 4.29Å; V34-K49 HydrophobicContact CG2-CG 4.08Å; K49-I51 HydrophobicContact CG-CD1 4.4Å; K49-I51 HydrophobicContact CG-CG1 4.1Å; K49-Y92 WeakPolarHBondContact O-CA 3.48Å; K49-L93 HydrophobicContact CB-CB 4.23Å; K49-L93 PolarHBondContact N-O 2.92Å; K49-L93 PolarHBondContact O-N 3.39Å; K49-M95 HydrophobicContact CB-CE 3.69Å; K49-M95 HydrophobicContact CB-SD 4.36Å; K49-D162 IonicContact NZ-OD1 3.65Å; K49-D162 PolarHBondContact NZ-OD1 3.37Å; K49-D162 IonicContact NZ-OD2 3.49Å; K49-D162 PolarHBondContact NZ-OD2 2.84Å
50C90.3Very high83.3Confident14 Ų1465 Ų6510%0.09533%0.329CS..EExtended strand (participates in β ladder)trans-86.7121.9176.3-56.90000109.2S32 E33 Y92S32-C50 CarbonylContact C-O 3.59Å; S32-C50 WeakPolarHBondContact CA-O 3.45Å; S32-C50 VanDerWaalsContact CB-O 3.3Å; S32-C50 WeakPolarHBondContact CB-O 3.41Å; E33-C50 PolarHBondContact N-O 3.21Å; E33-C50 PolarHBondContact O-N 2.92Å; C50-Y92 HydrophobicContact CB-CD1 4.16Å; C50-Y92 HydrophobicContact CB-CE1 4.21Å; C50-Y92 VanDerWaalsContact SG-CD1 3.59Å
51I85.2Confident81.5Confident4 Ų463.7 Ų63.72%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-122.3126.9-179-56.7161000108.5K49 K53 L56 H90 L91 L93 L165K49-I51 HydrophobicContact CG-CD1 4.4Å; K49-I51 HydrophobicContact CG-CG1 4.1Å; I51-K53 PolarHBondContact O-N 3.36Å; I51-L56 HydrophobicContact CG2-CD1 3.98Å; I51-L56 HydrophobicContact CG2-CD2 4.07Å; I51-L56 HydrophobicContact CG2-CG 4.27Å; I51-H90 CarbonylContact O-C 3.51Å; I51-H90 VanDerWaalsContact O-CA 3.26Å; I51-H90 WeakPolarHBondContact O-CA 3.46Å; I51-L91 HydrophobicContact CB-CB 4.41Å; I51-L91 HydrophobicContact CD1-CD2 4.43Å; I51-L91 PolarHBondContact N-O 3.28Å; I51-L91 PolarHBondContact O-N 2.8Å; I51-L93 HydrophobicContact CD1-CD1 3.91Å; I51-L93 HydrophobicContact CD1-CG 4.15Å; I51-L165 HydrophobicContact CD1-CD1 3.83Å; I51-L165 HydrophobicContact CD1-CD2 3.93Å; I51-L165 HydrophobicContact CD1-CG 4.43Å
52A84.5Confident79.8Confident31 Ų3156.6 Ų56.626%0.25632%0.321SS..EExtended strand (participates in β ladder)trans-71.7127.5176.500000110.6F31 K54 A55F31-A52 PolarHBondContact O-N 3.45Å; A52-K54 PolarHBondContact O-N 2.93Å; A52-K54 VanDerWaalsContact O-N 3.17Å; A52-A55 WeakPolarHBondContact O-CB 2.98Å; A52-A55 PolarHBondContact O-N 3.25Å
53K80.5Confident78.4Confident56 Ų5654 Ų5424%0.24331%0.305CS..G310 helixtrans-60.7-26.4178.7-77.1179.7168.3-178.70113.8I51 A55 L56 E57 E86 S87 G89I51-K53 PolarHBondContact O-N 3.36Å; K53-A55 PolarHBondContact O-N 3.44Å; K53-L56 CarbonylContact O-C 3.27Å; K53-L56 WeakPolarHBondContact O-CA 3.34Å; K53-L56 WeakPolarHBondContact O-CB 3.48Å; K53-L56 PolarHBondContact O-N 2.66Å; K53-E57 PolarHBondContact O-N 2.84Å; K53-E86 WeakPolarHBondContact CE-OE1 3.45Å; K53-E86 IonicContact NZ-OE1 2.96Å; K53-E86 PolarHBondContact NZ-OE1 3.06Å; K53-S87 WeakPolarHBondContact CE-O 3.27Å; K53-S87 PolarHBondContact NZ-O 3.28Å; K53-G89 WeakPolarHBondContact CB-O 3.17Å; K53-G89 PolarHBondContact N-O 3.13Å
54K76.6Confident77Confident170 Ų17053.5 Ų53.574%0.73930%0.303SS*.G310 helixtrans-58.8-31.2173.8-68.8-172.7176.5-177.70112.9A52 L56A52-K54 PolarHBondContact O-N 2.93Å; A52-K54 VanDerWaalsContact O-N 3.17Å; K54-L56 PolarHBondContact O-N 2.9Å
55A66.5Low75.5Confident42 Ų4254.3 Ų54.335%0.34731%0.312SS..G310 helixtrans-72.1-617500000113F31 A52 K53F31-A55 HydrophobicContact CB-CB 3.62Å; F31-A55 HydrophobicContact CD1-CB 4Å; F31-A55 HydrophobicContact CD2-CB 4.48Å; F31-A55 HydrophobicContact CG-CB 3.78Å; A52-A55 WeakPolarHBondContact O-CB 2.98Å; A52-A55 PolarHBondContact O-N 3.25Å; K53-A55 PolarHBondContact O-N 3.44Å
56L65.9Low74.2Confident18 Ų1852.2 Ų52.29%0.09430%0.3CS..G310 helixtrans-115.4-2.4-171.7-51.8175.5000112.7I51 K53 K54 G58 K59 M63I51-L56 HydrophobicContact CG2-CD1 3.98Å; I51-L56 HydrophobicContact CG2-CD2 4.07Å; I51-L56 HydrophobicContact CG2-CG 4.27Å; K53-L56 CarbonylContact O-C 3.27Å; K53-L56 WeakPolarHBondContact O-CA 3.34Å; K53-L56 WeakPolarHBondContact O-CB 3.48Å; K53-L56 PolarHBondContact O-N 2.66Å; K54-L56 PolarHBondContact O-N 2.9Å; L56-G58 PolarHBondContact O-N 3.13Å; L56-K59 PolarHBondContact O-N 2.89Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L56-M63 HydrophobicContact CB-CE 3.55Å; L56-M63 HydrophobicContact CD1-CE 3.5Å; L56-M63 HydrophobicContact CD1-SD 3.91Å; L56-M63 HydrophobicContact CD2-CE 3.57Å; L56-M63 HydrophobicContact CG-CE 3.66Å
57E67.3Low73Confident141 Ų14152.3 Ų52.366%0.65930%0.3SS*.THydrogen-bonded Turntrans-56.9120.4-179.5-76.2176-166.800110.8K53 E60K53-E57 PolarHBondContact O-N 2.84Å; E57-E60 WeakPolarHBondContact CA-OE1 3.5Å
58G65.4Low71.9Confident71 Ų7153 Ų5373%0.73231%0.307SS*.THydrogen-bonded Turntrans92.72.1-179.300000115.8L56 E60L56-G58 PolarHBondContact O-N 3.13Å; G58-E60 VanDerWaalsContact C-OE2 3.3Å; G58-E60 VanDerWaalsContact CA-OE2 3.27Å; G58-E60 WeakPolarHBondContact CA-OE2 3.26Å; G58-E60 PolarHBondContact N-OE1 2.94Å; G58-E60 PolarHBondContact N-OE2 3.17Å
59K63.2Low70.8Confident53 Ų5355.9 Ų55.923%0.2332%0.324CS..  trans-123.811.4178.6-65.5-179.5-173.5162.90114.1L56 G61 S62 M63 M168 D170L56-K59 PolarHBondContact O-N 2.89Å; L56-K59 VanDerWaalsContact O-N 3.08Å; K59-G61 VanDerWaalsContact C-N 3.33Å; K59-G61 PolarHBondContact O-N 3.15Å; K59-S62 PolarHBondContact O-N 3.2Å; K59-S62 VanDerWaalsContact O-N 3.15Å; K59-M63 PolarHBondContact O-N 2.62Å; K59-M168 PolarHBondContact NZ-O 3.36Å; K59-D170 VanDerWaalsContact CE-CG 3.44Å; K59-D170 VanDerWaalsContact CE-OD1 3.32Å; K59-D170 WeakPolarHBondContact CE-OD1 3.46Å; K59-D170 WeakPolarHBondContact CE-OD2 3.23Å; K59-D170 IonicContact NZ-OD1 3.97Å; K59-D170 PolarHBondContact NZ-OD1 2.8Å; K59-D170 IonicContact NZ-OD2 2.62Å; K59-D170 PolarHBondContact NZ-OD2 2.94Å
60E64Low70.1Confident102 Ų10255.9 Ų55.948%0.47732%0.324SS..Hα-helixtrans-57.7-42.1-169.9-61.683.9173.400112.4E57 G58 M63E57-E60 WeakPolarHBondContact CA-OE1 3.5Å; G58-E60 VanDerWaalsContact C-OE2 3.3Å; G58-E60 VanDerWaalsContact CA-OE2 3.27Å; G58-E60 WeakPolarHBondContact CA-OE2 3.26Å; G58-E60 PolarHBondContact N-OE1 2.94Å; G58-E60 PolarHBondContact N-OE2 3.17Å; E60-M63 WeakPolarHBondContact O-CB 2.82Å; E60-M63 PolarHBondContact O-N 2.76Å
61G59.2Low69.5Low56 Ų5658.4 Ų58.458%0.57734%0.335SS*.Hα-helixtrans-73.5-25-179.400000115.6K59 M63K59-G61 VanDerWaalsContact C-N 3.33Å; K59-G61 PolarHBondContact O-N 3.15Å; G61-M63 VanDerWaalsContact C-N 3.34Å
62S60.2Low69.3Low62 Ų6265.1 Ų65.143%0.43436%0.364SS..Hα-helixtrans-75.8-30.4173.9-164.70000111K59 E66K59-S62 PolarHBondContact O-N 3.2Å; K59-S62 VanDerWaalsContact O-N 3.15Å; S62-E66 WeakPolarHBondContact O-CG 3.3Å; S62-E66 PolarHBondContact O-N 3.35Å; S62-E66 PolarHBondContact OG-OE1 3.15Å
63M65.1Low69.4Low8 Ų864 Ų644%0.03935%0.353CS..Hα-helixtrans-71.5-41.6-172.4-171.2-177.4-50.700113.9L56 K59 E60 G61 N65 E66 I67 L91 M168L56-M63 HydrophobicContact CB-CE 3.55Å; L56-M63 HydrophobicContact CD1-CE 3.5Å; L56-M63 HydrophobicContact CD1-SD 3.91Å; L56-M63 HydrophobicContact CD2-CE 3.57Å; L56-M63 HydrophobicContact CG-CE 3.66Å; K59-M63 PolarHBondContact O-N 2.62Å; E60-M63 WeakPolarHBondContact O-CB 2.82Å; E60-M63 PolarHBondContact O-N 2.76Å; G61-M63 VanDerWaalsContact C-N 3.34Å; M63-N65 PolarHBondContact O-N 3.08Å; M63-E66 PolarHBondContact O-N 3.29Å; M63-E66 VanDerWaalsContact O-N 3.15Å; M63-I67 HydrophobicContact CG-CD1 3.54Å; M63-I67 HydrophobicContact CG-CG1 4.04Å; M63-I67 WeakPolarHBondContact O-CB 3.39Å; M63-I67 WeakPolarHBondContact O-CG1 3.47Å; M63-I67 PolarHBondContact O-N 3.24Å; M63-I67 HydrophobicContact SD-CD1 4Å; M63-L91 HydrophobicContact SD-CD2 4Å; M63-M168 HydrophobicContact CB-SD 3.92Å; M63-M168 HydrophobicContact CE-CE 4.16Å; M63-M168 HydrophobicContact CE-SD 3.68Å; M63-M168 HydrophobicContact CG-CE 4.12Å; M63-M168 HydrophobicContact CG-SD 3.83Å
64E65.7Low69.9Low107 Ų10769.3 Ų69.350%0.538%0.377SS..Hα-helixtrans-56.2-42.8177.7-75.4179.4-17500111.5W10 A68W10-E64 HydrophobicContact CH2-CG 3.71Å; W10-E64 HydrophobicContact CZ2-CB 4.42Å; W10-E64 HydrophobicContact CZ2-CG 3.29Å; E64-A68 VanDerWaalsContact O-CB 3.27Å; E64-A68 WeakPolarHBondContact O-CB 3.46Å; E64-A68 PolarHBondContact O-N 3.02Å
65N63.1Low70.7Confident116 Ų11662.5 Ų62.562%0.6235%0.347SS*.Hα-helixtrans-67.8-41.6177.6-74.5-42.8000112M63 V69M63-N65 PolarHBondContact O-N 3.08Å; N65-V69 WeakPolarHBondContact O-CG2 3.45Å; N65-V69 PolarHBondContact O-N 3.22Å; N65-V69 VanDerWaalsContact O-N 3.17Å
66E65.3Low72.1Confident24 Ų2464 Ų6411%0.11235%0.353CS..Hα-helixtrans-66.2-47.5178.4-74177.8-156.400111.6S62 M63 A68 V69 L70 K167 M168S62-E66 WeakPolarHBondContact O-CG 3.3Å; S62-E66 PolarHBondContact O-N 3.35Å; S62-E66 PolarHBondContact OG-OE1 3.15Å; M63-E66 PolarHBondContact O-N 3.29Å; M63-E66 VanDerWaalsContact O-N 3.15Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.05Å; E66-V69 CarbonylContact O-C 3.56Å; E66-V69 WeakPolarHBondContact O-CA 3.45Å; E66-V69 WeakPolarHBondContact O-CB 3.37Å; E66-V69 PolarHBondContact O-N 2.74Å; E66-L70 WeakPolarHBondContact O-CG 3.32Å; E66-L70 PolarHBondContact O-N 3.14Å; E66-K167 HydrophobicContact CG-CD 4.37Å; E66-K167 WeakPolarHBondContact OE1-CB 3.41Å; E66-K167 WeakPolarHBondContact OE1-CD 3.41Å; E66-M168 WeakPolarHBondContact OE2-CG 3.48Å
67I69.6Low73.6Confident4 Ų463.6 Ų63.62%0.02135%0.351CS..Hα-helixtrans-61.7-39.5177.5-67.6174.9000111.5M63 V69 L70 H71 I84 L91M63-I67 HydrophobicContact CG-CD1 3.54Å; M63-I67 HydrophobicContact CG-CG1 4.04Å; M63-I67 WeakPolarHBondContact O-CB 3.39Å; M63-I67 WeakPolarHBondContact O-CG1 3.47Å; M63-I67 PolarHBondContact O-N 3.24Å; M63-I67 HydrophobicContact SD-CD1 4Å; I67-V69 PolarHBondContact O-N 3.21Å; I67-L70 HydrophobicContact CG1-CD1 4.31Å; I67-L70 WeakPolarHBondContact O-CB 3.28Å; I67-L70 PolarHBondContact O-N 3.14Å; I67-L70 VanDerWaalsContact O-N 3.13Å; I67-H71 PolarHBondContact O-N 2.75Å; I67-I84 HydrophobicContact CG2-CD1 3.22Å; I67-I84 HydrophobicContact CG2-CG1 3.63Å; I67-L91 HydrophobicContact CD1-CD2 3.67Å
68A69.6Low74.8Confident24 Ų2457 Ų5720%0.19832%0.32CS..Hα-helixtrans-62.4-30174.800000112.5P8 E64 E66 K72P8-A68 HydrophobicContact CG-CB 4.41Å; E64-A68 VanDerWaalsContact O-CB 3.27Å; E64-A68 WeakPolarHBondContact O-CB 3.46Å; E64-A68 PolarHBondContact O-N 3.02Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.05Å; A68-K72 WeakPolarHBondContact O-CG 3.48Å
69V71.3Confident76Confident60 Ų6054 Ų5436%0.36429%0.288SS..Hα-helixtrans-74.6-43.1171.8171.30000110.7N65 E66 I67 H71 K72 I73 I137N65-V69 WeakPolarHBondContact O-CG2 3.45Å; N65-V69 PolarHBondContact O-N 3.22Å; N65-V69 VanDerWaalsContact O-N 3.17Å; E66-V69 CarbonylContact O-C 3.56Å; E66-V69 WeakPolarHBondContact O-CA 3.45Å; E66-V69 WeakPolarHBondContact O-CB 3.37Å; E66-V69 PolarHBondContact O-N 2.74Å; I67-V69 PolarHBondContact O-N 3.21Å; V69-H71 VanDerWaalsContact C-N 3.28Å; V69-H71 PolarHBondContact O-N 3.4Å; V69-K72 WeakPolarHBondContact O-CB 3.42Å; V69-K72 PolarHBondContact O-N 2.92Å; V69-I73 PolarHBondContact O-N 2.66Å; V69-I137 HydrophobicContact CG1-CD1 3.26Å; V69-I137 HydrophobicContact CG1-CG1 3.9Å
70L74.6Confident77.3Confident10 Ų1053 Ų535%0.05229%0.29CS..Hα-helixtrans-56.8-41.6177-60.3172000112.2E66 I67 K72 I73 L81 F163 G164E66-L70 WeakPolarHBondContact O-CG 3.32Å; E66-L70 PolarHBondContact O-N 3.14Å; I67-L70 HydrophobicContact CG1-CD1 4.31Å; I67-L70 WeakPolarHBondContact O-CB 3.28Å; I67-L70 PolarHBondContact O-N 3.14Å; I67-L70 VanDerWaalsContact O-N 3.13Å; L70-K72 PolarHBondContact O-N 3.23Å; L70-I73 HydrophobicContact CD2-CD1 4.32Å; L70-I73 WeakPolarHBondContact O-CB 3.44Å; L70-I73 PolarHBondContact O-N 3.49Å; L70-I73 VanDerWaalsContact O-N 3.11Å; L70-L81 HydrophobicContact CB-CD2 3.64Å; L70-L81 HydrophobicContact CD1-CD2 4.35Å; L70-F163 HydrophobicContact CB-CE2 4.48Å; L70-F163 HydrophobicContact CD2-CD2 3.43Å; L70-F163 VanDerWaalsContact CD2-CD2 3.43Å; L70-F163 HydrophobicContact CD2-CE2 3.36Å; L70-F163 HydrophobicContact CG-CE2 4.48Å; L70-G164 WeakPolarHBondContact CD1-O 3.22Å
71H77.3Confident78.5Confident67 Ų6748.9 Ų48.931%0.3127%0.271SS..THydrogen-bonded Turntrans-66.6-18.6179.5-15969.6000113.4P8 I67 V69 D82P8-H71 HydrophobicContact CG-CB 4.33Å; I67-H71 PolarHBondContact O-N 2.75Å; V69-H71 VanDerWaalsContact C-N 3.28Å; V69-H71 PolarHBondContact O-N 3.4Å; H71-D82 PolarHBondContact CE1-O 3.48Å
72K80.5Confident79.9Confident146 Ų14648.8 Ų48.864%0.63526%0.257SS*.THydrogen-bonded Turntrans-91.7-11.3176.9-66.6175.8-176177.40112.9A68 V69 L70 K74 Y131A68-K72 WeakPolarHBondContact O-CG 3.48Å; V69-K72 WeakPolarHBondContact O-CB 3.42Å; V69-K72 PolarHBondContact O-N 2.92Å; L70-K72 PolarHBondContact O-N 3.23Å; K72-K74 PolarHBondContact O-N 3.17Å; K72-Y131 PolarHBondContact O-OH 2.82Å
73I86.6Confident81.2Confident7 Ų748 Ų484%0.03625%0.248CC..  trans-70.1118.2177.7-72.2170.2000109V69 L70 I78 Y131 L132 L135 I137 F163V69-I73 PolarHBondContact O-N 2.66Å; L70-I73 HydrophobicContact CD2-CD1 4.32Å; L70-I73 WeakPolarHBondContact O-CB 3.44Å; L70-I73 PolarHBondContact O-N 3.49Å; L70-I73 VanDerWaalsContact O-N 3.11Å; I73-I78 HydrophobicContact CG2-CB 4.25Å; I73-I78 HydrophobicContact CG2-CD1 4.02Å; I73-I78 HydrophobicContact CG2-CG2 3.78Å; I73-Y131 HydrophobicContact CB-CE1 4.39Å; I73-Y131 HydrophobicContact CG1-CE1 4.34Å; I73-Y131 HydrophobicContact CG2-CE1 3.98Å; I73-L132 HydrophobicContact CD1-CD2 3.51Å; I73-L132 HydrophobicContact CG1-CD2 4.17Å; I73-L132 HydrophobicContact CG2-CD2 4.43Å; I73-L135 HydrophobicContact CG1-CD1 4.1Å; I73-I137 HydrophobicContact CD1-CD1 3.57Å; I73-I137 HydrophobicContact CG1-CD1 4.11Å; I73-F163 HydrophobicContact CB-CE2 4.31Å; I73-F163 HydrophobicContact CD1-CD2 3.72Å; I73-F163 HydrophobicContact CD1-CE2 3.31Å; I73-F163 HydrophobicContact CD1-CZ 4.26Å; I73-F163 HydrophobicContact CG1-CE2 4.38Å; I73-F163 HydrophobicContact CG2-CE2 4.25Å; I73-F163 HydrophobicContact CG2-CZ 4.15Å
74K90.1Very high82.3Confident168 Ų16848 Ų4873%0.7325%0.248SC*.  trans-137.399.9176-65.1-172.5-179.8-174.70108.4K72 Y131K72-K74 PolarHBondContact O-N 3.17Å; K74-Y131 PolarHBondContact N-OH 3.39Å
75H95.1Very high83.5Confident27 Ų2744.1 Ų44.113%0.12523%0.229CC..  trans-140.1140.2179.4-167.9-90.4000109.7N77 I78 D127 A128 Y131H75-N77 PolarHBondContact ND1-N 3.21Å; H75-N77 VanDerWaalsContact ND1-N 3.14Å; H75-N77 PolarHBondContact O-N 3.44Å; H75-N77 VanDerWaalsContact O-N 3.14Å; H75-I78 HydrophobicContact CB-CB 3.98Å; H75-I78 HydrophobicContact CB-CD1 3.62Å; H75-I78 HydrophobicContact CB-CG1 3.74Å; H75-I78 PolarHBondContact O-N 3.24Å; H75-D127 IonicContact CE1-OD2 3.03Å; H75-D127 PolarHBondContact CE1-OD2 3.41Å; H75-D127 IonicContact NE2-OD2 3.58Å; H75-D127 PolarHBondContact NE2-OD2 3.39Å; H75-A128 VanDerWaalsContact CE1-CA 3.45Å; H75-A128 WeakPolarHBondContact CE1-CA 3.44Å; H75-A128 PolarHBondContact CE1-N 2.89Å; H75-Y131 HydrophobicContact CB-CD1 4Å; H75-Y131 HydrophobicContact CB-CE1 4.28Å; H75-Y131 HydrophobicContact CB-CG 4.32Å; H75-Y131 AromaticContact CD2-CG 3.67Å
76P95.8Very high84.7Confident72 Ų7239.9 Ų39.947%0.46821%0.206SC..THydrogen-bonded Turntrans-58.7-27.1-178.922-34.7000113.9K157P76-K157 WeakPolarHBondContact O-CD 3.4Å; P76-K157 WeakPolarHBondContact O-CE 3.33Å; P76-K157 PolarHBondContact O-NZ 2.99Å
77N96.6Very high85.8Confident10 Ų1039.2 Ų39.25%0.05320%0.204CC..THydrogen-bonded Turntrans-108.720.4-177.9-59100.4000113.6H75 Q124 A128 I158 I160H75-N77 PolarHBondContact ND1-N 3.21Å; H75-N77 VanDerWaalsContact ND1-N 3.14Å; H75-N77 PolarHBondContact O-N 3.44Å; H75-N77 VanDerWaalsContact O-N 3.14Å; N77-Q124 PolarHBondContact ND2-OE1 3.12Å; N77-A128 HydrophobicContact CB-CB 4Å; N77-I158 WeakPolarHBondContact CA-O 3.34Å; N77-I158 WeakPolarHBondContact CB-O 3.32Å; N77-I158 PolarHBondContact ND2-O 2.84Å; N77-I160 PolarHBondContact O-N 2.98Å
78I93.4Very high86.3Confident3 Ų342.9 Ų42.92%0.01524%0.242CC..BIsolated β-bridgetrans-126.4134.7174.4-58.1175.8000108.7I73 H75 A80 A128 Y131 L132 M159 F163I73-I78 HydrophobicContact CG2-CB 4.25Å; I73-I78 HydrophobicContact CG2-CD1 4.02Å; I73-I78 HydrophobicContact CG2-CG2 3.78Å; H75-I78 HydrophobicContact CB-CB 3.98Å; H75-I78 HydrophobicContact CB-CD1 3.62Å; H75-I78 HydrophobicContact CB-CG1 3.74Å; H75-I78 PolarHBondContact O-N 3.24Å; I78-A80 PolarHBondContact O-N 2.89Å; I78-A128 HydrophobicContact CD1-CB 4.12Å; I78-A128 HydrophobicContact CG1-CB 3.75Å; I78-Y131 HydrophobicContact CD1-CD1 3.94Å; I78-L132 HydrophobicContact CD1-CD1 4.1Å; I78-L132 HydrophobicContact CD1-CD2 3.79Å; I78-L132 HydrophobicContact CD1-CG 3.69Å; I78-M159 WeakPolarHBondContact O-CE 3.24Å; I78-F163 HydrophobicContact CG2-CD1 3.59Å; I78-F163 HydrophobicContact CG2-CE1 3.11Å; I78-F163 HydrophobicContact CG2-CE2 4.39Å; I78-F163 HydrophobicContact CG2-CG 4.42Å; I78-F163 HydrophobicContact CG2-CZ 3.57Å
79V90.6Very high87.1Confident8 Ų843.4 Ų43.45%0.04825%0.25CC..  trans-59.9122.7177.5173.80000110.2M95 Q96 V98 M159 I160 F163V79-M95 HydrophobicContact CG1-CB 3.92Å; V79-Q96 HydrophobicContact CG1-CB 4.27Å; V79-V98 HydrophobicContact CG2-CG2 3.75Å; V79-M159 HydrophobicContact CG2-CB 4.19Å; V79-I160 WeakPolarHBondContact CG2-O 3.4Å; V79-I160 PolarHBondContact N-O 3Å; V79-F163 VanDerWaalsContact O-CE1 3.28Å; V79-F163 WeakPolarHBondContact O-CE1 3.41Å; V79-F163 WeakPolarHBondContact O-CZ 3.3Å
80A89.7Confident87.9Confident32 Ų3244.2 Ų44.226%0.26425%0.249SC..  trans-72.6140.5179.400000111.7I78 M95 Q96I78-A80 PolarHBondContact O-N 2.89Å; A80-M95 CarbonylContact O-C 3.54Å; A80-M95 VanDerWaalsContact O-CA 3.32Å; A80-M95 WeakPolarHBondContact O-CA 3.24Å; A80-Q96 HydrophobicContact CB-CB 4.16Å; A80-Q96 PolarHBondContact O-N 2.9Å
81L88.8Confident88.5Confident16 Ų1643.9 Ų43.98%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-95.4101.8168.7-17964.8000108.7L70 I84 L93 I94 M95L70-L81 HydrophobicContact CB-CD2 3.64Å; L70-L81 HydrophobicContact CD1-CD2 4.35Å; L81-I84 HydrophobicContact CD1-CG1 4.38Å; L81-I84 HydrophobicContact CD2-CD1 3.79Å; L81-I84 HydrophobicContact CD2-CG1 3.97Å; L81-I84 HydrophobicContact CG-CD1 4.33Å; L81-I84 HydrophobicContact CG-CG1 4.39Å; L81-L93 HydrophobicContact CD1-CB 3.71Å; L81-L93 HydrophobicContact CD1-CD2 4.31Å; L81-L93 HydrophobicContact CD1-CG 4.47Å; L81-I94 CarbonylContact C-O 3.6Å; L81-M95 HydrophobicContact CD1-CG 4.11Å
82D88Confident89.1Confident54 Ų5441.8 Ų41.829%0.28924%0.237SC..EExtended strand (participates in β ladder)trans-71.6-44.3-176.8-77.8-9000111.1K44 H71 I94K44-D82 IonicContact NZ-OD2 3.52Å; K44-D82 PolarHBondContact NZ-OD2 3.04Å; H71-D82 PolarHBondContact CE1-O 3.48Å; D82-I94 HydrophobicContact CB-CG2 4.34Å; D82-I94 PolarHBondContact N-O 2.8Å
83D88.8Confident89.6Confident44 Ų4435 Ų3524%0.23521%0.208CC..EExtended strand (participates in β ladder)trans-157.6161.6-174.8-93.3-50.5000112.4K11 Y85 I94K11-D83 VanDerWaalsContact CE-OD1 3.28Å; K11-D83 WeakPolarHBondContact CE-OD1 3.44Å; K11-D83 IonicContact NZ-OD1 3.24Å; K11-D83 PolarHBondContact NZ-OD1 3.17Å; K11-D83 IonicContact NZ-OD2 3.36Å; K11-D83 PolarHBondContact NZ-OD2 3.28Å; D83-Y85 HydrophobicContact CB-CD2 4.46Å; D83-Y85 HydrophobicContact CB-CE2 4Å; D83-I94 HydrophobicContact CB-CB 3.98Å; D83-I94 HydrophobicContact CB-CG1 3.92Å; D83-I94 PolarHBondContact N-O 3.27Å; D83-I94 WeakPolarHBondContact O-CB 3.46Å; D83-I94 PolarHBondContact O-N 3.13Å
84I88.4Confident89.8Confident10 Ų1034.7 Ų34.75%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-126.1129.9170.4-57.2106.7000109.5K11 I67 L81 L91 Y92 L93K11-I84 PolarHBondContact N-O 3.48Å; I67-I84 HydrophobicContact CG2-CD1 3.22Å; I67-I84 HydrophobicContact CG2-CG1 3.63Å; L81-I84 HydrophobicContact CD1-CG1 4.38Å; L81-I84 HydrophobicContact CD2-CD1 3.79Å; L81-I84 HydrophobicContact CD2-CG1 3.97Å; L81-I84 HydrophobicContact CG-CD1 4.33Å; L81-I84 HydrophobicContact CG-CG1 4.39Å; I84-L91 HydrophobicContact CG2-CD1 3.62Å; I84-L91 HydrophobicContact CG2-CG 4.14Å; I84-Y92 WeakPolarHBondContact CA-O 3.39Å; I84-L93 HydrophobicContact CB-CD2 4.46Å; I84-L93 HydrophobicContact CG1-CD2 3.77Å; I84-L93 HydrophobicContact CG2-CD2 4.04Å
85Y91Very high89.9Confident24 Ų2428.2 Ų28.29%0.09418%0.179CC..EExtended strand (participates in β ladder)trans-115.9149.4170.9-71.1-94.9000111.4K11 A13 I16 I19 Y20 D83 Y92 I94K11-Y85 HydrophobicContact CB-CD1 3.42Å; K11-Y85 VanDerWaalsContact CB-CD1 3.42Å; K11-Y85 HydrophobicContact CB-CE1 3.42Å; K11-Y85 VanDerWaalsContact CB-CE1 3.42Å; K11-Y85 HydrophobicContact CB-CG 4.09Å; K11-Y85 HydrophobicContact CD-CD1 4.39Å; K11-Y85 HydrophobicContact CD-CE1 3.68Å; K11-Y85 HydrophobicContact CD-CE2 4.03Å; K11-Y85 VanDerWaalsContact CD-CZ 3.47Å; K11-Y85 WeakPolarHBondContact CD-OH 3.4Å; K11-Y85 HydrophobicContact CG-CE1 4.19Å; K11-Y85 CarbonylContact O-C 3.55Å; K11-Y85 VanDerWaalsContact O-CA 3.24Å; K11-Y85 WeakPolarHBondContact O-CA 3.48Å; A13-Y85 HydrophobicContact CB-CD1 3.89Å; I16-Y85 HydrophobicContact CD1-CD1 4.15Å; I16-Y85 HydrophobicContact CD1-CD2 3.88Å; I16-Y85 HydrophobicContact CD1-CG 3.63Å; I19-Y85 HydrophobicContact CD1-CD1 3.83Å; I19-Y85 HydrophobicContact CD1-CE1 3.27Å; Y20-Y85 HydrophobicContact CE2-CD2 4.35Å; Y20-Y85 AromaticContact CE2-CE2 3.93Å; Y20-Y85 HydrophobicContact CE2-CE2 3.93Å; D83-Y85 HydrophobicContact CB-CD2 4.46Å; D83-Y85 HydrophobicContact CB-CE2 4Å; Y85-Y92 PolarHBondContact N-O 3.24Å; Y85-Y92 PolarHBondContact O-N 3.39Å; Y85-I94 HydrophobicContact CD2-CD1 4.06Å; Y85-I94 HydrophobicContact CD2-CG1 3.71Å; Y85-I94 HydrophobicContact CE2-CG1 3.96Å
86E88.2Confident89.7Confident28 Ų2829.2 Ų29.213%0.13118%0.184CC..EExtended strand (participates in β ladder)trans-127.6134.8176.8-169.1-171-164.900109.6W10 K11 Q12 A13 K53 L91W10-E86 HydrophobicContact CB-CB 4.41Å; W10-E86 VanDerWaalsContact CE3-CD 3.48Å; W10-E86 WeakPolarHBondContact CZ3-OE2 3.38Å; K11-E86 PolarHBondContact O-N 3.19Å; Q12-E86 PolarHBondContact NE2-OE2 3.01Å; A13-E86 PolarHBondContact N-O 3.21Å; K53-E86 WeakPolarHBondContact CE-OE1 3.45Å; K53-E86 IonicContact NZ-OE1 2.96Å; K53-E86 PolarHBondContact NZ-OE1 3.06Å; E86-L91 HydrophobicContact CB-CD1 4.36Å; E86-L91 HydrophobicContact CG-CD1 4.46Å
87S87.6Confident89.4Confident10 Ų1027.6 Ų27.67%0.0717%0.171CC..  trans-122178.2168.3760000110.5A13 K53 G89 H90 Y92A13-S87 WeakPolarHBondContact O-CA 3.42Å; A13-S87 VanDerWaalsContact O-CB 3.28Å; A13-S87 WeakPolarHBondContact O-CB 3.09Å; K53-S87 WeakPolarHBondContact CE-O 3.27Å; K53-S87 PolarHBondContact NZ-O 3.28Å; S87-G89 PolarHBondContact O-N 3.12Å; S87-G89 VanDerWaalsContact O-N 3.08Å; S87-H90 PolarHBondContact N-O 3.45Å; S87-H90 PolarHBondContact OG-N 2.83Å; S87-Y92 WeakPolarHBondContact OG-CE2 3.46Å; S87-Y92 PolarHBondContact OG-OH 2.84Å
88G81.4Confident89.1Confident80 Ų8028.1 Ų28.183%0.82518%0.175SC*.SBendtrans-53.5-33.5-176.500000114.7
89G85.5Confident88.7Confident35 Ų3531.6 Ų31.636%0.36120%0.199SC..SBendtrans-120.1-8.1-176.800000116.1K53 S87K53-G89 WeakPolarHBondContact CB-O 3.17Å; K53-G89 PolarHBondContact N-O 3.13Å; S87-G89 PolarHBondContact O-N 3.12Å; S87-G89 VanDerWaalsContact O-N 3.08Å
90H88.1Confident88.4Confident77 Ų7731.2 Ų31.236%0.35620%0.197SC..EExtended strand (participates in β ladder)trans-139.6153.6-170.3-6586.3000112.7I51 S87 Y92I51-H90 CarbonylContact O-C 3.51Å; I51-H90 VanDerWaalsContact O-CA 3.26Å; I51-H90 WeakPolarHBondContact O-CA 3.46Å; S87-H90 PolarHBondContact N-O 3.45Å; S87-H90 PolarHBondContact OG-N 2.83Å; H90-Y92 HydrophobicContact CB-CE1 4.06Å; H90-Y92 HydrophobicContact CB-CE2 3.77Å; H90-Y92 WeakPolarHBondContact CB-OH 3.35Å
91L87.4Confident88.1Confident4 Ų431.4 Ų31.42%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-109.1138164.4-170.476.4000108.3I51 M63 I67 I84 E86 L93I51-L91 HydrophobicContact CB-CB 4.41Å; I51-L91 HydrophobicContact CD1-CD2 4.43Å; I51-L91 PolarHBondContact N-O 3.28Å; I51-L91 PolarHBondContact O-N 2.8Å; M63-L91 HydrophobicContact SD-CD2 4Å; I67-L91 HydrophobicContact CD1-CD2 3.67Å; I84-L91 HydrophobicContact CG2-CD1 3.62Å; I84-L91 HydrophobicContact CG2-CG 4.14Å; E86-L91 HydrophobicContact CB-CD1 4.36Å; E86-L91 HydrophobicContact CG-CD1 4.46Å; L91-L93 HydrophobicContact CD2-CD2 4.04Å; L91-L93 HydrophobicContact CG-CD2 4.34Å
92Y90.3Very high87.9Confident22 Ų2235 Ų359%0.08622%0.218CC..EExtended strand (participates in β ladder)trans-122.5116-179.5-53.8-85.2000109.5I16 I48 K49 C50 I84 Y85 S87 H90I16-Y92 HydrophobicContact CB-CD1 4.28Å; I16-Y92 HydrophobicContact CB-CD2 4.06Å; I16-Y92 HydrophobicContact CB-CE1 4.17Å; I16-Y92 HydrophobicContact CB-CE2 3.93Å; I16-Y92 HydrophobicContact CB-CG 4.23Å; I16-Y92 HydrophobicContact CD1-CD2 4.41Å; I16-Y92 HydrophobicContact CD1-CG 4.39Å; I16-Y92 HydrophobicContact CG1-CD1 4.15Å; I16-Y92 HydrophobicContact CG1-CD2 4.17Å; I16-Y92 HydrophobicContact CG1-CG 3.96Å; I16-Y92 HydrophobicContact CG2-CD1 3.99Å; I16-Y92 HydrophobicContact CG2-CD2 4.5Å; I16-Y92 HydrophobicContact CG2-CE1 3.56Å; I16-Y92 HydrophobicContact CG2-CE2 4.1Å; I16-Y92 HydrophobicContact CG2-CG 4.44Å; I48-Y92 HydrophobicContact CG2-CD1 4.04Å; I48-Y92 HydrophobicContact CG2-CG 4.5Å; K49-Y92 WeakPolarHBondContact O-CA 3.48Å; C50-Y92 HydrophobicContact CB-CD1 4.16Å; C50-Y92 HydrophobicContact CB-CE1 4.21Å; C50-Y92 VanDerWaalsContact SG-CD1 3.59Å; I84-Y92 WeakPolarHBondContact CA-O 3.39Å; Y85-Y92 PolarHBondContact N-O 3.24Å; Y85-Y92 PolarHBondContact O-N 3.39Å; S87-Y92 WeakPolarHBondContact OG-CE2 3.46Å; S87-Y92 PolarHBondContact OG-OH 2.84Å; H90-Y92 HydrophobicContact CB-CE1 4.06Å; H90-Y92 HydrophobicContact CB-CE2 3.77Å; H90-Y92 WeakPolarHBondContact CB-OH 3.35Å
93L89.3Confident87.8Confident4 Ų432.5 Ų32.52%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-95.1112.7174-54.1-175.2000108.5I48 K49 I51 L81 I84 L91 M95I48-L93 WeakPolarHBondContact CA-O 3.05Å; K49-L93 HydrophobicContact CB-CB 4.23Å; K49-L93 PolarHBondContact N-O 2.92Å; K49-L93 PolarHBondContact O-N 3.39Å; I51-L93 HydrophobicContact CD1-CD1 3.91Å; I51-L93 HydrophobicContact CD1-CG 4.15Å; L81-L93 HydrophobicContact CD1-CB 3.71Å; L81-L93 HydrophobicContact CD1-CD2 4.31Å; L81-L93 HydrophobicContact CD1-CG 4.47Å; I84-L93 HydrophobicContact CB-CD2 4.46Å; I84-L93 HydrophobicContact CG1-CD2 3.77Å; I84-L93 HydrophobicContact CG2-CD2 4.04Å; L91-L93 HydrophobicContact CD2-CD2 4.04Å; L91-L93 HydrophobicContact CG-CD2 4.34Å; L93-M95 HydrophobicContact CB-CG 4.31Å; L93-M95 PolarHBondContact O-N 2.93Å
94I92.6Very high87.6Confident1 Ų131 Ų311%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-86.6109.9178-47.1-55.8000107.7Y20 V46 I48 L81 D82 D83 Y85Y20-I94 HydrophobicContact CD2-CD1 4.26Å; Y20-I94 HydrophobicContact CE1-CG2 4.18Å; Y20-I94 HydrophobicContact CE2-CD1 3.67Å; Y20-I94 HydrophobicContact CE2-CG1 4.15Å; V46-I94 HydrophobicContact CB-CG2 4.04Å; V46-I94 HydrophobicContact CG1-CG2 4.02Å; V46-I94 HydrophobicContact CG2-CG2 4.14Å; I48-I94 HydrophobicContact CB-CD1 4.41Å; I48-I94 HydrophobicContact CD1-CD1 3.79Å; I48-I94 HydrophobicContact CG1-CD1 3.74Å; I48-I94 HydrophobicContact CG2-CD1 4Å; L81-I94 CarbonylContact C-O 3.6Å; D82-I94 HydrophobicContact CB-CG2 4.34Å; D82-I94 PolarHBondContact N-O 2.8Å; D83-I94 HydrophobicContact CB-CB 3.98Å; D83-I94 HydrophobicContact CB-CG1 3.92Å; D83-I94 PolarHBondContact N-O 3.27Å; D83-I94 WeakPolarHBondContact O-CB 3.46Å; D83-I94 PolarHBondContact O-N 3.13Å; Y85-I94 HydrophobicContact CD2-CD1 4.06Å; Y85-I94 HydrophobicContact CD2-CG1 3.71Å; Y85-I94 HydrophobicContact CE2-CG1 3.96Å
95M91.3Very high87.4Confident32 Ų3234.8 Ų34.816%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-115.3154.7-172.6-57179.8-57.500111.1V34 A47 K49 V79 A80 L81 L93 L97V34-M95 HydrophobicContact CG1-CE 4.28Å; A47-M95 HydrophobicContact CB-CB 4.47Å; A47-M95 HydrophobicContact CB-CE 4.26Å; A47-M95 PolarHBondContact N-O 2.9Å; A47-M95 WeakPolarHBondContact O-CA 3.26Å; A47-M95 WeakPolarHBondContact O-CB 3.2Å; A47-M95 PolarHBondContact O-N 2.95Å; K49-M95 HydrophobicContact CB-CE 3.69Å; K49-M95 HydrophobicContact CB-SD 4.36Å; V79-M95 HydrophobicContact CG1-CB 3.92Å; A80-M95 CarbonylContact O-C 3.54Å; A80-M95 VanDerWaalsContact O-CA 3.32Å; A80-M95 WeakPolarHBondContact O-CA 3.24Å; L81-M95 HydrophobicContact CD1-CG 4.11Å; L93-M95 HydrophobicContact CB-CG 4.31Å; L93-M95 PolarHBondContact O-N 2.93Å; M95-L97 PolarHBondContact O-N 3.28Å
96Q90.9Very high87.2Confident47 Ų4735.1 Ų35.122%0.2222%0.217CC..EExtended strand (participates in β ladder)trans-55.1128167.3179.1176.127.200110V79 A80 Y150V79-Q96 HydrophobicContact CG1-CB 4.27Å; A80-Q96 HydrophobicContact CB-CB 4.16Å; A80-Q96 PolarHBondContact O-N 2.9Å; Q96-Y150 VanDerWaalsContact NE2-CE2 3.32Å
97L90.4Very high87.2Confident38 Ų3833.8 Ų33.820%0.19921%0.211CC..  trans-70.8131.8172.5-178.765.3000110.2L26 L36 L45 A47 M95L26-L97 HydrophobicContact CD1-CD1 3.87Å; L36-L97 HydrophobicContact CD1-CD1 3.86Å; L36-L97 HydrophobicContact CD1-CD2 3.58Å; L36-L97 HydrophobicContact CD1-CG 4.36Å; L45-L97 HydrophobicContact CB-CD2 3.71Å; L45-L97 HydrophobicContact CD1-CD2 4.29Å; A47-L97 HydrophobicContact CB-CD1 4.26Å; M95-L97 PolarHBondContact O-N 3.28Å
98V88.8Confident87.2Confident22 Ų2234.8 Ų34.813%0.13322%0.217CC..  trans-120.1121.5174.1175.20000107.5V79 L148 Y149 M159V79-V98 HydrophobicContact CG2-CG2 3.75Å; V98-L148 HydrophobicContact CG1-CB 3.54Å; V98-L148 HydrophobicContact CG1-CD1 4.39Å; V98-Y149 WeakPolarHBondContact CG1-O 3.43Å; V98-M159 HydrophobicContact CG1-CB 4.36Å; V98-M159 HydrophobicContact CG1-CG 4.28Å; V98-M159 HydrophobicContact CG2-CB 4.21Å; V98-M159 HydrophobicContact CG2-CG 4.1Å
99S85.9Confident87.4Confident76 Ų7637.6 Ų37.653%0.53121%0.208SC..  trans-127.27.1-166.860.10000114.6G101 Y150S99-G101 PolarHBondContact O-N 2.82Å; S99-Y150 PolarHBondContact N-O 3.42Å; S99-Y150 VanDerWaalsContact N-O 3.15Å
100G84.1Confident87.2Confident0 Ų038.6 Ų38.60%020%0.203CC..SBendtrans-78.2-2.5178.500000115.3R106 Y149 Y150 S151G100-R106 WeakPolarHBondContact O-CD 3.42Å; G100-Y149 WeakPolarHBondContact CA-O 3.34Å; G100-Y149 PolarHBondContact N-O 2.8Å; G100-Y150 PolarHBondContact N-O 3.49Å; G100-S151 WeakPolarHBondContact CA-O 3.34Å
101G83.9Confident87.1Confident35 Ų3538.1 Ų38.136%0.36122%0.218SC..  trans83.4-179.8178.700000114.1S99 L148 Y149S99-G101 PolarHBondContact O-N 2.82Å; G101-L148 WeakPolarHBondContact O-CA 3.19Å; G101-Y149 PolarHBondContact O-N 3.06Å
102E84.1Confident87.3Confident93 Ų9343.4 Ų43.444%0.43524%0.241SC..BIsolated β-bridgetrans-75.1153-176.6-65.3-179-155.800112.3F104 R106 L148E102-F104 PolarHBondContact O-N 3.15Å; E102-R106 WeakPolarHBondContact O-CG 3.37Å; E102-R106 PolarHBondContact O-N 3.18Å; E102-L148 HydrophobicContact CB-CD2 4.48Å; E102-L148 HydrophobicContact CG-CD2 3.92Å
103L85.4Confident87.6Confident0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-50-52.1-178.4174.855.5000113.9I107 L121 P144 L147 Y149 I158 I207 L211L103-I107 HydrophobicContact CD1-CD1 4.25Å; L103-I107 PolarHBondContact O-N 3.46Å; L103-L121 HydrophobicContact CD1-CD1 3.25Å; L103-L121 HydrophobicContact CD1-CD2 4.04Å; L103-L121 HydrophobicContact CD1-CG 4.27Å; L103-L121 HydrophobicContact CD2-CD2 4.42Å; L103-P144 HydrophobicContact CD2-CB 4.45Å; L103-L147 HydrophobicContact CB-CB 4.27Å; L103-L147 WeakPolarHBondContact CB-O 3.32Å; L103-L147 HydrophobicContact CD2-CB 4.11Å; L103-L147 HydrophobicContact CD2-CD1 3.78Å; L103-L147 PolarHBondContact N-O 2.92Å; L103-Y149 HydrophobicContact CD1-CE2 4.04Å; L103-I158 HydrophobicContact CD1-CD1 4.24Å; L103-I207 HydrophobicContact CD2-CG2 4.27Å; L103-L211 HydrophobicContact CD1-CD2 4.06Å; L103-L211 HydrophobicContact CD2-CD2 4.06Å; L103-L211 HydrophobicContact CG-CD2 4.15Å
104F85.1Confident88Confident14 Ų1442.4 Ų42.46%0.06124%0.238CC..Hα-helixtrans-78.6-33.8-171.5-68.8-30.9000113.6E102 R106 I107 V108 P144 I210 L211 I294 F298E102-F104 PolarHBondContact O-N 3.15Å; F104-R106 PolarHBondContact O-N 2.81Å; F104-I107 HydrophobicContact CD1-CD1 4.3Å; F104-I107 PolarHBondContact O-N 2.86Å; F104-I107 VanDerWaalsContact O-N 3.16Å; F104-V108 WeakPolarHBondContact O-CB 3.4Å; F104-V108 PolarHBondContact O-N 3.48Å; F104-P144 HydrophobicContact CD2-CB 3.81Å; F104-P144 HydrophobicContact CD2-CG 4.3Å; F104-P144 HydrophobicContact CE1-CB 4.4Å; F104-P144 HydrophobicContact CE1-CG 4.42Å; F104-P144 HydrophobicContact CE2-CB 3.29Å; F104-P144 HydrophobicContact CE2-CG 3.3Å; F104-P144 HydrophobicContact CZ-CB 3.61Å; F104-P144 HydrophobicContact CZ-CG 3.35Å; F104-I210 HydrophobicContact CE1-CB 4.38Å; F104-I210 HydrophobicContact CE1-CG2 3.66Å; F104-I210 HydrophobicContact CE2-CG2 3.98Å; F104-I210 HydrophobicContact CZ-CB 3.94Å; F104-I210 HydrophobicContact CZ-CD1 4.35Å; F104-I210 HydrophobicContact CZ-CG2 3.26Å; F104-L211 HydrophobicContact CE1-CD2 4.07Å; F104-I294 HydrophobicContact CB-CG2 3.84Å; F104-I294 HydrophobicContact CD1-CD1 4Å; F104-I294 HydrophobicContact CG-CD1 4.46Å; F104-I294 HydrophobicContact CG-CG2 4.34Å; F104-F298 HydrophobicContact CD2-CD1 4.09Å; F104-F298 HydrophobicContact CD2-CE1 4.19Å; F104-F298 HydrophobicContact CD2-CG 4.32Å; F104-F298 HydrophobicContact CE2-CD1 4.09Å; F104-F298 AromaticContact CE2-CE1 3.72Å; F104-F298 HydrophobicContact CE2-CE1 3.72Å; F104-F298 HydrophobicContact CE2-CE2 4.42Å; F104-F298 AromaticContact CE2-CZ 3.91Å; F104-F298 HydrophobicContact CE2-CZ 3.91Å
105D84.5Confident88.3Confident88 Ų8842.5 Ų42.547%0.47124%0.238SC..Hα-helixtrans-58.7-42.5173.8-74.3-17.4000110.2I107 V108 E109D105-I107 PolarHBondContact O-N 3.43Å; D105-V108 WeakPolarHBondContact O-CB 3.34Å; D105-V108 PolarHBondContact O-N 2.75Å; D105-E109 WeakPolarHBondContact O-CG 3.49Å; D105-E109 PolarHBondContact O-N 2.92Å
106R85.9Confident88.6Confident31 Ų3143.6 Ų43.612%0.11724%0.24CC..Hα-helixtrans-64.9-35.1176.9-70.7-73.2-68.3-174.1-5.5113.5G100 E102 F104 K110 Y149 L152 D153G100-R106 WeakPolarHBondContact O-CD 3.42Å; E102-R106 WeakPolarHBondContact O-CG 3.37Å; E102-R106 PolarHBondContact O-N 3.18Å; F104-R106 PolarHBondContact O-N 2.81Å; R106-K110 WeakPolarHBondContact O-CG 3.39Å; R106-K110 PolarHBondContact O-N 2.88Å; R106-Y149 HydrophobicContact CB-CD2 3.82Å; R106-Y149 HydrophobicContact CB-CE2 3.53Å; R106-Y149 HydrophobicContact CG-CD2 3.52Å; R106-Y149 HydrophobicContact CG-CE2 3.82Å; R106-Y149 HydrophobicContact CG-CG 4.23Å; R106-L152 PolarHBondContact NH1-O 3.38Å; R106-L152 PolarHBondContact NH2-O 3.12Å; R106-D153 PolarHBondContact NH2-O 2.65Å
107I87.8Confident88.8Confident0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-69.6-39.6174.8-66.7171.3000110.3L103 F104 D105 E109 K110 Y113 L211 H287 V290 I294L103-I107 HydrophobicContact CD1-CD1 4.25Å; L103-I107 PolarHBondContact O-N 3.46Å; F104-I107 HydrophobicContact CD1-CD1 4.3Å; F104-I107 PolarHBondContact O-N 2.86Å; F104-I107 VanDerWaalsContact O-N 3.16Å; D105-I107 PolarHBondContact O-N 3.43Å; I107-E109 VanDerWaalsContact C-N 3.32Å; I107-E109 PolarHBondContact O-N 3.47Å; I107-K110 PolarHBondContact O-N 3.46Å; I107-Y113 HydrophobicContact CD1-CE2 4.08Å; I107-Y113 HydrophobicContact CG1-CD2 4.42Å; I107-Y113 HydrophobicContact CG1-CE2 4.02Å; I107-Y113 HydrophobicContact CG2-CD1 4.23Å; I107-Y113 HydrophobicContact CG2-CD2 4.4Å; I107-Y113 HydrophobicContact CG2-CE1 4.33Å; I107-Y113 HydrophobicContact CG2-CE2 4.49Å; I107-Y113 HydrophobicContact CG2-CG 4.25Å; I107-L211 HydrophobicContact CD1-CD2 3.27Å; I107-H287 PolarHBondContact O-CD2 2.79Å; I107-H287 PolarHBondContact O-NE2 3.32Å; I107-V290 HydrophobicContact CG2-CG1 4.14Å; I107-I294 HydrophobicContact CB-CD1 4.16Å; I107-I294 HydrophobicContact CG2-CD1 3.78Å
108V87.6Confident89.2Confident31 Ų3141.3 Ų41.319%0.18823%0.23CC..Hα-helixtrans-65.3-34.4178.91530000113.1F104 D105 I294 K295F104-V108 WeakPolarHBondContact O-CB 3.4Å; F104-V108 PolarHBondContact O-N 3.48Å; D105-V108 WeakPolarHBondContact O-CB 3.34Å; D105-V108 PolarHBondContact O-N 2.75Å; V108-I294 HydrophobicContact CG2-CB 3.91Å; V108-I294 HydrophobicContact CG2-CG2 3.49Å; V108-I294 VanDerWaalsContact CG2-CG2 3.49Å; V108-K295 HydrophobicContact CG1-CD 4.35Å; V108-K295 HydrophobicContact CG1-CG 4.15Å; V108-K295 HydrophobicContact CG2-CG 3.96Å
109E86.9Confident89.6Confident140 Ų14040.7 Ų40.765%0.65423%0.226SC*.Hα-helixtrans-80.5-15.7179.4-72.3176.1174.300113.7D105 I107D105-E109 WeakPolarHBondContact O-CG 3.49Å; D105-E109 PolarHBondContact O-N 2.92Å; I107-E109 VanDerWaalsContact C-N 3.32Å; I107-E109 PolarHBondContact O-N 3.47Å
110K81.6Confident90.2Very high56 Ų5644 Ų4424%0.24323%0.227CC..  trans-65.7160.3176.3-81.5179179.4-155.40110.9R106 I107 Y113 H287R106-K110 WeakPolarHBondContact O-CG 3.39Å; R106-K110 PolarHBondContact O-N 2.88Å; I107-K110 PolarHBondContact O-N 3.46Å; K110-Y113 HydrophobicContact CD-CD2 4.37Å; K110-H287 PolarHBondContact O-CE1 3.22Å; K110-H287 PolarHBondContact O-NE2 3.08Å
111G86Confident90.8Very high66 Ų6644.3 Ų44.368%0.6823%0.229SC*.SBendtrans-101.4-14.4167.100000112.8
112F91.8Very high91.5Very high115 Ų11542.7 Ų42.750%0.50421%0.212SC..  trans-150.3133.7-171.9-172.7-89.4000109.2T114 N285F112-T114 HydrophobicContact CD1-CG2 4.07Å; F112-T114 HydrophobicContact CE1-CG2 3.24Å; F112-T114 HydrophobicContact CZ-CG2 3.58Å; F112-N285 HydrophobicContact CD2-CB 3.89Å; F112-N285 WeakPolarHBondContact CD2-ND2 3.48Å; F112-N285 HydrophobicContact CE2-CB 3.58Å; F112-N285 HydrophobicContact CZ-CB 4.25Å
113Y95.6Very high92.2Very high3 Ų342.5 Ų42.51%0.01221%0.21CC..  trans-160.3134-176.2-179.9-102.9000109.5I107 K110 D117 A118 L211 N285 I286 H287 V290I107-Y113 HydrophobicContact CD1-CE2 4.08Å; I107-Y113 HydrophobicContact CG1-CD2 4.42Å; I107-Y113 HydrophobicContact CG1-CE2 4.02Å; I107-Y113 HydrophobicContact CG2-CD1 4.23Å; I107-Y113 HydrophobicContact CG2-CD2 4.4Å; I107-Y113 HydrophobicContact CG2-CE1 4.33Å; I107-Y113 HydrophobicContact CG2-CE2 4.49Å; I107-Y113 HydrophobicContact CG2-CG 4.25Å; K110-Y113 HydrophobicContact CD-CD2 4.37Å; Y113-D117 HydrophobicContact CD2-CB 3.77Å; Y113-D117 HydrophobicContact CE2-CB 3.75Å; Y113-A118 VanDerWaalsContact OH-CB 3.29Å; Y113-A118 WeakPolarHBondContact OH-CB 3.44Å; Y113-L211 WeakPolarHBondContact CE1-O 3.38Å; Y113-L211 PolarHBondContact OH-O 3.36Å; Y113-N285 PolarHBondContact N-OD1 3.08Å; Y113-N285 PolarHBondContact O-OD1 3.23Å; Y113-I286 HydrophobicContact CD1-CD1 4.31Å; Y113-I286 HydrophobicContact CD1-CG1 4.01Å; Y113-I286 HydrophobicContact CE1-CD1 4.25Å; Y113-I286 HydrophobicContact CE1-CG1 4.45Å; Y113-I286 WeakPolarHBondContact O-CG1 3.38Å; Y113-I286 PolarHBondContact O-N 3.22Å; Y113-H287 PolarHBondContact O-N 2.86Å; Y113-V290 HydrophobicContact CD1-CG1 4.48Å; Y113-V290 HydrophobicContact CE1-CG1 4.29Å
114T97.6Very high92.8Very high3 Ų344.5 Ų44.52%0.01822%0.219CC..  trans-129.9168.9-170.363.50000111.7F112 R116 D117 A118 D283F112-T114 HydrophobicContact CD1-CG2 4.07Å; F112-T114 HydrophobicContact CE1-CG2 3.24Å; F112-T114 HydrophobicContact CZ-CG2 3.58Å; T114-R116 PolarHBondContact O-N 2.62Å; T114-R116 PolarHBondContact OG1-N 3.25Å; T114-D117 PolarHBondContact N-OD2 3.44Å; T114-D117 PolarHBondContact O-N 2.88Å; T114-D117 VanDerWaalsContact OG1-CG 3.25Å; T114-D117 PolarHBondContact OG1-N 3.44Å; T114-D117 VanDerWaalsContact OG1-N 3.15Å; T114-D117 PolarHBondContact OG1-OD2 2.73Å; T114-A118 PolarHBondContact O-N 2.77Å; T114-D283 WeakPolarHBondContact CG2-O 3.3Å
115E98.1Very high93.4Very high2 Ų243.9 Ų43.91%0.00922%0.217CC..Hα-helixtrans-60.8-34.1168.7-63.2-172.7-153.700111.8D117 A118 S119 L212 I245 S246 W275 A281 L282 I286E115-D117 VanDerWaalsContact C-N 3.27Å; E115-D117 PolarHBondContact O-N 3.13Å; E115-A118 WeakPolarHBondContact O-CB 3.4Å; E115-A118 PolarHBondContact O-N 2.95Å; E115-S119 WeakPolarHBondContact O-CB 3.23Å; E115-S119 PolarHBondContact O-N 2.93Å; E115-L212 HydrophobicContact CB-CD2 4.24Å; E115-L212 HydrophobicContact CG-CD2 3.88Å; E115-I245 HydrophobicContact CG-CD1 4.31Å; E115-I245 VanDerWaalsContact OE1-CA 3.28Å; E115-I245 WeakPolarHBondContact OE1-CA 3.48Å; E115-S246 PolarHBondContact OE1-N 3.36Å; E115-S246 WeakPolarHBondContact OE2-CB 3.44Å; E115-S246 PolarHBondContact OE2-OG 3.24Å; E115-W275 PolarHBondContact OE2-NE1 3.41Å; E115-A281 HydrophobicContact CB-CB 4.3Å; E115-L282 WeakPolarHBondContact CB-O 3.22Å; E115-L282 HydrophobicContact CG-CB 4.33Å; E115-L282 PolarHBondContact N-O 2.89Å; E115-L282 WeakPolarHBondContact OE1-CD1 3.48Å; E115-I286 HydrophobicContact CG-CD1 4.39Å
116R97.9Very high94.1Very high55 Ų5539.7 Ų39.721%0.20819%0.194CC..Hα-helixtrans-62.5-36.3177.5-167.5178.7-62.4-92.92.6111.7T114 R120 D279 A281 L282 D283T114-R116 PolarHBondContact O-N 2.62Å; T114-R116 PolarHBondContact OG1-N 3.25Å; R116-R120 WeakPolarHBondContact O-CB 3.18Å; R116-R120 VanDerWaalsContact O-CG 3.26Å; R116-R120 WeakPolarHBondContact O-CG 3.36Å; R116-R120 PolarHBondContact O-N 2.9Å; R116-D279 IonicContact NH1-OD1 3.46Å; R116-A281 HydrophobicContact CB-CB 4.47Å; R116-L282 PolarHBondContact N-O 3.01Å; R116-D283 WeakPolarHBondContact CD-OD1 3.44Å; R116-D283 IonicContact CZ-OD1 3.98Å; R116-D283 IonicContact CZ-OD2 3.69Å; R116-D283 IonicContact NE-OD1 2.65Å; R116-D283 PolarHBondContact NE-OD1 2.98Å; R116-D283 IonicContact NE-OD2 2.74Å; R116-D283 PolarHBondContact NE-OD2 3.47Å; R116-D283 IonicContact NH2-OD1 3.84Å; R116-D283 IonicContact NH2-OD2 3.78Å; R116-D283 PolarHBondContact NH2-OD2 3.32Å
117D96.4Very high94.7Very high38 Ų3840.9 Ų40.920%0.20320%0.203CC..Hα-helixtrans-66.3-44.7173.6-60.1-50.7000111.4Y113 T114 E115 R120 L121Y113-D117 HydrophobicContact CD2-CB 3.77Å; Y113-D117 HydrophobicContact CE2-CB 3.75Å; T114-D117 PolarHBondContact N-OD2 3.44Å; T114-D117 PolarHBondContact O-N 2.88Å; T114-D117 VanDerWaalsContact OG1-CG 3.25Å; T114-D117 PolarHBondContact OG1-N 3.44Å; T114-D117 VanDerWaalsContact OG1-N 3.15Å; T114-D117 PolarHBondContact OG1-OD2 2.73Å; E115-D117 VanDerWaalsContact C-N 3.27Å; E115-D117 PolarHBondContact O-N 3.13Å; D117-R120 PolarHBondContact O-N 3.14Å; D117-L121 PolarHBondContact O-N 3.3Å; D117-L121 VanDerWaalsContact O-N 3.12Å
118A97.5Very high95.1Very high0 Ų040.9 Ų40.90%020%0.203CC..Hα-helixtrans-60.3-46.3175.600000111.8Y113 T114 E115 L121 I122 L211 L212 W275Y113-A118 VanDerWaalsContact OH-CB 3.29Å; Y113-A118 WeakPolarHBondContact OH-CB 3.44Å; T114-A118 PolarHBondContact O-N 2.77Å; E115-A118 WeakPolarHBondContact O-CB 3.4Å; E115-A118 PolarHBondContact O-N 2.95Å; A118-L121 WeakPolarHBondContact O-CB 3.43Å; A118-L121 PolarHBondContact O-N 3.11Å; A118-I122 WeakPolarHBondContact O-CG1 3.23Å; A118-I122 PolarHBondContact O-N 3.31Å; A118-L211 HydrophobicContact CB-CB 4.27Å; A118-L212 HydrophobicContact CB-CD2 3.84Å; A118-W275 HydrophobicContact CB-CH2 4.18Å; A118-W275 HydrophobicContact CB-CZ2 4.2Å
119S98.6Very high95.5Very high8 Ų839.4 Ų39.46%0.05619%0.194CC..Hα-helixtrans-60.3-46.1178.3168.70000111.8E115 L121 I122 F123 W275E115-S119 WeakPolarHBondContact O-CB 3.23Å; E115-S119 PolarHBondContact O-N 2.93Å; S119-L121 VanDerWaalsContact C-N 3.25Å; S119-L121 PolarHBondContact O-N 2.84Å; S119-I122 PolarHBondContact O-N 2.91Å; S119-F123 WeakPolarHBondContact O-CB 3.41Å; S119-F123 PolarHBondContact O-N 3.34Å; S119-W275 WeakPolarHBondContact CB-O 3.34Å; S119-W275 PolarHBondContact OG-O 3.15Å
120R97.3Very high96Very high145 Ų14534.9 Ų34.955%0.54717%0.172SC..Hα-helixtrans-60.9-33.8175.3-75.2170.1178167.4-0.5113.1R116 D117 Q124R116-R120 WeakPolarHBondContact O-CB 3.18Å; R116-R120 VanDerWaalsContact O-CG 3.26Å; R116-R120 WeakPolarHBondContact O-CG 3.36Å; R116-R120 PolarHBondContact O-N 2.9Å; D117-R120 PolarHBondContact O-N 3.14Å; R120-Q124 PolarHBondContact O-N 3.3Å; R120-Q124 PolarHBondContact O-NE2 2.82Å; R120-Q124 VanDerWaalsContact O-NE2 3.1Å
121L97.1Very high96.6Very high8 Ų835.1 Ų35.14%0.04217%0.172CC..Hα-helixtrans-72-48.4176.3-167.1145.8000111.1L103 D117 A118 S119 F123 Q124 V125 Y149 I158 L211L103-L121 HydrophobicContact CD1-CD1 3.25Å; L103-L121 HydrophobicContact CD1-CD2 4.04Å; L103-L121 HydrophobicContact CD1-CG 4.27Å; L103-L121 HydrophobicContact CD2-CD2 4.42Å; D117-L121 PolarHBondContact O-N 3.3Å; D117-L121 VanDerWaalsContact O-N 3.12Å; A118-L121 WeakPolarHBondContact O-CB 3.43Å; A118-L121 PolarHBondContact O-N 3.11Å; S119-L121 VanDerWaalsContact C-N 3.25Å; S119-L121 PolarHBondContact O-N 2.84Å; L121-F123 VanDerWaalsContact C-N 3.27Å; L121-F123 PolarHBondContact O-N 3.47Å; L121-Q124 WeakPolarHBondContact O-CB 3.24Å; L121-Q124 PolarHBondContact O-N 3.42Å; L121-Q124 VanDerWaalsContact O-N 3.13Å; L121-V125 HydrophobicContact CD2-CG2 4.08Å; L121-V125 PolarHBondContact O-N 3.26Å; L121-V125 VanDerWaalsContact O-N 3.12Å; L121-Y149 VanDerWaalsContact CD1-OH 3.29Å; L121-Y149 WeakPolarHBondContact CD1-OH 3.46Å; L121-I158 HydrophobicContact CD1-CD1 4.43Å; L121-I158 HydrophobicContact CD2-CG1 4.49Å; L121-I158 HydrophobicContact CG-CB 4.39Å; L121-I158 HydrophobicContact CG-CG1 4.45Å; L121-I158 HydrophobicContact CG-CG2 4.44Å; L121-L211 HydrophobicContact CD2-CD1 3.83Å
122I98.4Very high96.9Very high0 Ų032 Ų320%014%0.14CC..Hα-helixtrans-61.8-36.4177.4-68.8-63.5000111.4A118 S119 Q124 V125 L126 I204 I207 A208 L211 F252 W275 I276A118-I122 WeakPolarHBondContact O-CG1 3.23Å; A118-I122 PolarHBondContact O-N 3.31Å; S119-I122 PolarHBondContact O-N 2.91Å; I122-Q124 PolarHBondContact O-N 3.47Å; I122-V125 PolarHBondContact O-N 2.82Å; I122-L126 HydrophobicContact CG2-CD1 3.83Å; I122-L126 HydrophobicContact CG2-CG 4.08Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 2.79Å; I122-I204 HydrophobicContact CD1-CG2 4.2Å; I122-I204 HydrophobicContact CG2-CG2 4.11Å; I122-I207 HydrophobicContact CD1-CG2 4.19Å; I122-A208 HydrophobicContact CD1-CB 3.82Å; I122-A208 HydrophobicContact CG1-CB 4.02Å; I122-L211 HydrophobicContact CD1-CD1 3.73Å; I122-L211 HydrophobicContact CG1-CD1 3.93Å; I122-F252 HydrophobicContact CG2-CE1 3.8Å; I122-F252 HydrophobicContact CG2-CZ 3.61Å; I122-W275 HydrophobicContact CB-CZ3 4.19Å; I122-W275 HydrophobicContact CG1-CH2 4.35Å; I122-W275 HydrophobicContact CG1-CZ3 4.26Å; I122-W275 HydrophobicContact CG2-CZ3 4.28Å; I122-I276 HydrophobicContact CB-CD1 4.13Å; I122-I276 HydrophobicContact CG2-CD1 3.76Å
123F98.6Very high96.8Very high90 Ų9027.1 Ų27.140%0.39512%0.118SC..Hα-helixtrans-54.2-50.1171.8172.7-94000111.8S119 L121 V125 L126 D127 L271 I276S119-F123 WeakPolarHBondContact O-CB 3.41Å; S119-F123 PolarHBondContact O-N 3.34Å; L121-F123 VanDerWaalsContact C-N 3.27Å; L121-F123 PolarHBondContact O-N 3.47Å; F123-V125 VanDerWaalsContact C-N 3.33Å; F123-V125 PolarHBondContact O-N 3.44Å; F123-L126 PolarHBondContact O-N 2.91Å; F123-D127 WeakPolarHBondContact O-CB 3.49Å; F123-D127 PolarHBondContact O-N 2.88Å; F123-L271 HydrophobicContact CD2-CD2 3.58Å; F123-L271 HydrophobicContact CE2-CD2 3.72Å; F123-L271 HydrophobicContact CG-CD2 4.46Å; F123-I276 HydrophobicContact CB-CG2 4.09Å; F123-I276 HydrophobicContact CD2-CG2 3.71Å; F123-I276 HydrophobicContact CG-CG2 4.39Å
124Q98.3Very high96.7Very high42 Ų4232 Ų3220%0.19615%0.145CC..Hα-helixtrans-63.9-37.6179.9-72.3171.178.400112.5N77 R120 L121 I122 A128 K157 I158N77-Q124 PolarHBondContact ND2-OE1 3.12Å; R120-Q124 PolarHBondContact O-N 3.3Å; R120-Q124 PolarHBondContact O-NE2 2.82Å; R120-Q124 VanDerWaalsContact O-NE2 3.1Å; L121-Q124 WeakPolarHBondContact O-CB 3.24Å; L121-Q124 PolarHBondContact O-N 3.42Å; L121-Q124 VanDerWaalsContact O-N 3.13Å; I122-Q124 PolarHBondContact O-N 3.47Å; Q124-A128 WeakPolarHBondContact O-CB 3.33Å; Q124-A128 PolarHBondContact O-N 2.76Å; Q124-A128 VanDerWaalsContact O-N 3.17Å; Q124-K157 VanDerWaalsContact OE1-CB 3.31Å; Q124-I158 HydrophobicContact CB-CG2 3.5Å; Q124-I158 VanDerWaalsContact CB-CG2 3.5Å; Q124-I158 HydrophobicContact CG-CG2 4.38Å; Q124-I158 VanDerWaalsContact OE1-N 3.12Å
125V98.1Very high96.1Very high1 Ų135.9 Ų35.91%0.00617%0.165CC..Hα-helixtrans-67-46.9175.41780000110.4L121 I122 F123 D127 A128 V129 L147 I158 I160 I204L121-V125 HydrophobicContact CD2-CG2 4.08Å; L121-V125 PolarHBondContact O-N 3.26Å; L121-V125 VanDerWaalsContact O-N 3.12Å; I122-V125 PolarHBondContact O-N 2.82Å; F123-V125 VanDerWaalsContact C-N 3.33Å; F123-V125 PolarHBondContact O-N 3.44Å; V125-D127 PolarHBondContact O-N 2.76Å; V125-A128 PolarHBondContact O-N 2.86Å; V125-V129 HydrophobicContact CG1-CG2 4.28Å; V125-V129 WeakPolarHBondContact O-CB 3.36Å; V125-V129 VanDerWaalsContact O-CG2 3.24Å; V125-V129 WeakPolarHBondContact O-CG2 3.45Å; V125-V129 PolarHBondContact O-N 3.39Å; V125-L147 HydrophobicContact CG2-CD1 4.04Å; V125-L147 HydrophobicContact CG2-CD2 4.05Å; V125-I158 HydrophobicContact CG2-CG2 4.14Å; V125-I160 HydrophobicContact CG1-CD1 4.28Å; V125-I204 HydrophobicContact CG1-CD1 4.13Å; V125-I204 HydrophobicContact CG1-CG1 3.91Å
126L98.6Very high95.4Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-60.5-43.2177.6-78.5172000112.3I122 F123 V129 K130 I204 F252 C267 A270 L271 I276I122-L126 HydrophobicContact CG2-CD1 3.83Å; I122-L126 HydrophobicContact CG2-CG 4.08Å; I122-L126 WeakPolarHBondContact O-CB 3.45Å; I122-L126 WeakPolarHBondContact O-CG 3.48Å; I122-L126 PolarHBondContact O-N 2.79Å; F123-L126 PolarHBondContact O-N 2.91Å; L126-V129 PolarHBondContact O-N 3.42Å; L126-K130 VanDerWaalsContact O-CB 3.24Å; L126-K130 WeakPolarHBondContact O-CB 3.33Å; L126-K130 PolarHBondContact O-N 3.3Å; L126-I204 HydrophobicContact CD2-CD1 3.88Å; L126-I204 HydrophobicContact CD2-CG2 4.11Å; L126-I204 HydrophobicContact CG-CG2 4.32Å; L126-F252 HydrophobicContact CD1-CE2 4.25Å; L126-F252 HydrophobicContact CD1-CZ 3.98Å; L126-C267 HydrophobicContact CD2-CB 4.14Å; L126-A270 HydrophobicContact CD1-CB 3.84Å; L126-A270 HydrophobicContact CD2-CB 3.72Å; L126-A270 HydrophobicContact CG-CB 4.47Å; L126-L271 HydrophobicContact CB-CD1 4.5Å; L126-L271 HydrophobicContact CB-CD2 3.67Å; L126-L271 HydrophobicContact CB-CG 3.87Å; L126-L271 HydrophobicContact CD1-CD2 4.24Å; L126-L271 HydrophobicContact CD1-CG 4.33Å; L126-I276 HydrophobicContact CD1-CD1 4.36Å; L126-I276 HydrophobicContact CD1-CG1 4.22Å
127D98.5Very high94.7Very high55 Ų5536.8 Ų36.829%0.29419%0.185SC..Hα-helixtrans-61.9-46.5179-170.348.5000111.1H75 F123 V125 K130 Y131H75-D127 IonicContact CE1-OD2 3.03Å; H75-D127 PolarHBondContact CE1-OD2 3.41Å; H75-D127 IonicContact NE2-OD2 3.58Å; H75-D127 PolarHBondContact NE2-OD2 3.39Å; F123-D127 WeakPolarHBondContact O-CB 3.49Å; F123-D127 PolarHBondContact O-N 2.88Å; V125-D127 PolarHBondContact O-N 2.76Å; D127-K130 PolarHBondContact O-N 2.91Å; D127-Y131 PolarHBondContact O-N 3.42Å
128A96.6Very high94.1Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-62.3-45.4175.100000113.2H75 N77 I78 Q124 V125 Y131 L132 I160H75-A128 VanDerWaalsContact CE1-CA 3.45Å; H75-A128 WeakPolarHBondContact CE1-CA 3.44Å; H75-A128 PolarHBondContact CE1-N 2.89Å; N77-A128 HydrophobicContact CB-CB 4Å; I78-A128 HydrophobicContact CD1-CB 4.12Å; I78-A128 HydrophobicContact CG1-CB 3.75Å; Q124-A128 WeakPolarHBondContact O-CB 3.33Å; Q124-A128 PolarHBondContact O-N 2.76Å; Q124-A128 VanDerWaalsContact O-N 3.17Å; V125-A128 PolarHBondContact O-N 2.86Å; A128-Y131 WeakPolarHBondContact O-CB 3.3Å; A128-Y131 PolarHBondContact O-N 3.34Å; A128-L132 PolarHBondContact O-N 3.46Å; A128-I160 HydrophobicContact CB-CD1 3.53Å; A128-I160 HydrophobicContact CB-CG1 4.26Å
129V96Very high93.5Very high0 Ų036.1 Ų36.10%018%0.182CC..Hα-helixtrans-70.7-36.7-178.8175.60000110.7V125 L126 Y131 L132 H133 L142 I160 D200 I204 C267V125-V129 HydrophobicContact CG1-CG2 4.28Å; V125-V129 WeakPolarHBondContact O-CB 3.36Å; V125-V129 VanDerWaalsContact O-CG2 3.24Å; V125-V129 WeakPolarHBondContact O-CG2 3.45Å; V125-V129 PolarHBondContact O-N 3.39Å; L126-V129 PolarHBondContact O-N 3.42Å; V129-Y131 VanDerWaalsContact C-N 3.32Å; V129-Y131 PolarHBondContact O-N 2.76Å; V129-L132 WeakPolarHBondContact O-CB 3.47Å; V129-L132 PolarHBondContact O-N 2.88Å; V129-H133 VanDerWaalsContact CG1-NE2 3.33Å; V129-H133 WeakPolarHBondContact CG1-NE2 3.34Å; V129-H133 WeakPolarHBondContact O-CB 3.14Å; V129-H133 PolarHBondContact O-CD2 3.42Å; V129-H133 VanDerWaalsContact O-CD2 3.28Å; V129-H133 VanDerWaalsContact O-CG 3.25Å; V129-H133 PolarHBondContact O-N 2.96Å; V129-L142 HydrophobicContact CG1-CD1 4.47Å; V129-L142 HydrophobicContact CG2-CD1 3.7Å; V129-L142 HydrophobicContact CG2-CD2 4.41Å; V129-I160 HydrophobicContact CG2-CD1 3.67Å; V129-D200 HydrophobicContact CG1-CB 3.81Å; V129-I204 HydrophobicContact CB-CD1 4.15Å; V129-I204 HydrophobicContact CG1-CD1 4.21Å; V129-I204 HydrophobicContact CG2-CD1 4.07Å; V129-C267 VanDerWaalsContact CG1-SG 3.57Å
130K97.1Very high92.7Very high46 Ų4639.2 Ų39.220%0.219%0.193CC..Hα-helixtrans-57.7-46.8170.4-174.3-170.8178.6-59.80110.6L126 D127 L132 H133 D134 C267 L271L126-K130 VanDerWaalsContact O-CB 3.24Å; L126-K130 WeakPolarHBondContact O-CB 3.33Å; L126-K130 PolarHBondContact O-N 3.3Å; D127-K130 PolarHBondContact O-N 2.91Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 3.26Å; K130-H133 CarbonylContact O-C 3.58Å; K130-H133 WeakPolarHBondContact O-CB 2.92Å; K130-H133 PolarHBondContact O-N 2.84Å; K130-H133 VanDerWaalsContact O-N 3.12Å; K130-D134 IonicContact NZ-OD1 2.73Å; K130-D134 PolarHBondContact NZ-OD1 3.15Å; K130-D134 IonicContact NZ-OD2 3.74Å; K130-D134 PolarHBondContact NZ-OD2 3.15Å; K130-D134 VanDerWaalsContact O-CG 3.28Å; K130-D134 PolarHBondContact O-N 3.24Å; K130-C267 HydrophobicContact CB-CB 3.78Å; K130-C267 HydrophobicContact CG-CB 4.39Å; K130-L271 HydrophobicContact CB-CD1 4.3Å; K130-L271 HydrophobicContact CD-CD1 3.73Å
131Y95.3Very high91.8Very high61 Ų6134.6 Ų34.624%0.23918%0.179CC..Hα-helixtrans-56.8-45176.4172.6-90.4000111.9K72 I73 K74 H75 I78 D127 A128 V129 D134 L135K72-Y131 PolarHBondContact O-OH 2.82Å; I73-Y131 HydrophobicContact CB-CE1 4.39Å; I73-Y131 HydrophobicContact CG1-CE1 4.34Å; I73-Y131 HydrophobicContact CG2-CE1 3.98Å; K74-Y131 PolarHBondContact N-OH 3.39Å; H75-Y131 HydrophobicContact CB-CD1 4Å; H75-Y131 HydrophobicContact CB-CE1 4.28Å; H75-Y131 HydrophobicContact CB-CG 4.32Å; H75-Y131 AromaticContact CD2-CG 3.67Å; I78-Y131 HydrophobicContact CD1-CD1 3.94Å; D127-Y131 PolarHBondContact O-N 3.42Å; A128-Y131 WeakPolarHBondContact O-CB 3.3Å; A128-Y131 PolarHBondContact O-N 3.34Å; V129-Y131 VanDerWaalsContact C-N 3.32Å; V129-Y131 PolarHBondContact O-N 2.76Å; Y131-D134 PolarHBondContact O-N 3.31Å; Y131-L135 HydrophobicContact CD1-CD1 4.18Å; Y131-L135 HydrophobicContact CE1-CD1 3.45Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.45Å; Y131-L135 HydrophobicContact CE1-CG 4.43Å; Y131-L135 HydrophobicContact CE2-CD1 4.41Å; Y131-L135 WeakPolarHBondContact O-CG 3.3Å; Y131-L135 PolarHBondContact O-N 3.34Å
132L91.1Very high91.3Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-61.4-44.6174.6-68.5176000111.7I73 I78 A128 V129 K130 D134 L135 G136 I137I73-L132 HydrophobicContact CD1-CD2 3.51Å; I73-L132 HydrophobicContact CG1-CD2 4.17Å; I73-L132 HydrophobicContact CG2-CD2 4.43Å; I78-L132 HydrophobicContact CD1-CD1 4.1Å; I78-L132 HydrophobicContact CD1-CD2 3.79Å; I78-L132 HydrophobicContact CD1-CG 3.69Å; A128-L132 PolarHBondContact O-N 3.46Å; V129-L132 WeakPolarHBondContact O-CB 3.47Å; V129-L132 PolarHBondContact O-N 2.88Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 3.26Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.3Å; L132-L135 CarbonylContact O-C 3.52Å; L132-L135 WeakPolarHBondContact O-CB 3.08Å; L132-L135 PolarHBondContact O-N 3.37Å; L132-L135 VanDerWaalsContact O-N 3.13Å; L132-G136 PolarHBondContact O-N 2.9Å; L132-I137 CarbonylContact C-O 3.58Å; L132-I137 HydrophobicContact CB-CB 4.25Å; L132-I137 HydrophobicContact CD2-CB 4.44Å; L132-I137 HydrophobicContact CD2-CD1 4.24Å; L132-I137 HydrophobicContact CD2-CG2 4.3Å; L132-I137 WeakPolarHBondContact O-CB 3.35Å; L132-I137 PolarHBondContact O-N 2.57Å
133H91.3Very high90.7Very high12 Ų1236 Ų366%0.05619%0.185CC..Hα-helixtrans-62.4-39.8179.2-75.7-171.4000111.8V129 K130 L135 G136 I137 K197 D200V129-H133 VanDerWaalsContact CG1-NE2 3.33Å; V129-H133 WeakPolarHBondContact CG1-NE2 3.34Å; V129-H133 WeakPolarHBondContact O-CB 3.14Å; V129-H133 PolarHBondContact O-CD2 3.42Å; V129-H133 VanDerWaalsContact O-CD2 3.28Å; V129-H133 VanDerWaalsContact O-CG 3.25Å; V129-H133 PolarHBondContact O-N 2.96Å; K130-H133 CarbonylContact O-C 3.58Å; K130-H133 WeakPolarHBondContact O-CB 2.92Å; K130-H133 PolarHBondContact O-N 2.84Å; K130-H133 VanDerWaalsContact O-N 3.12Å; H133-L135 PolarHBondContact O-N 2.92Å; H133-G136 WeakPolarHBondContact O-CA 3.01Å; H133-G136 PolarHBondContact O-N 3Å; H133-I137 PolarHBondContact CD2-O 3.37Å; H133-I137 VanDerWaalsContact CD2-O 3.28Å; H133-K197 HydrophobicContact CB-CD 3.86Å; H133-K197 HydrophobicContact CB-CG 4.35Å; H133-K197 PolarHBondContact CE1-O 2.97Å; H133-K197 WeakPolarHBondContact O-CE 3.33Å; H133-K197 PolarHBondContact O-NZ 2.82Å; H133-D200 IonicContact CD2-OD2 2.65Å; H133-D200 IonicContact CE1-OD2 2.71Å; H133-D200 IonicContact NE2-OD2 2.77Å; H133-D200 PolarHBondContact NE2-OD2 2.97Å
134D91.4Very high90Very high106 Ų10631.9 Ų31.957%0.56717%0.167SC*.Hα-helixtrans-63.6-30.9176.4-69.7-18000111.8K130 Y131 L132 G136K130-D134 IonicContact NZ-OD1 2.73Å; K130-D134 PolarHBondContact NZ-OD1 3.15Å; K130-D134 IonicContact NZ-OD2 3.74Å; K130-D134 PolarHBondContact NZ-OD2 3.15Å; K130-D134 VanDerWaalsContact O-CG 3.28Å; K130-D134 PolarHBondContact O-N 3.24Å; Y131-D134 PolarHBondContact O-N 3.31Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.3Å; D134-G136 VanDerWaalsContact C-N 3.25Å; D134-G136 PolarHBondContact O-N 3.17Å
135L86.4Confident89.1Confident85 Ų8532.7 Ų32.745%0.44517%0.171SC..THydrogen-bonded Turntrans-81.10.1172-63.4179.1000113.9I73 Y131 L132 H133 I137I73-L135 HydrophobicContact CG1-CD1 4.1Å; Y131-L135 HydrophobicContact CD1-CD1 4.18Å; Y131-L135 HydrophobicContact CE1-CD1 3.45Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.45Å; Y131-L135 HydrophobicContact CE1-CG 4.43Å; Y131-L135 HydrophobicContact CE2-CD1 4.41Å; Y131-L135 WeakPolarHBondContact O-CG 3.3Å; Y131-L135 PolarHBondContact O-N 3.34Å; L132-L135 CarbonylContact O-C 3.52Å; L132-L135 WeakPolarHBondContact O-CB 3.08Å; L132-L135 PolarHBondContact O-N 3.37Å; L132-L135 VanDerWaalsContact O-N 3.13Å; H133-L135 PolarHBondContact O-N 2.92Å; L135-I137 VanDerWaalsContact C-N 3.34Å; L135-I137 HydrophobicContact CB-CD1 3.86Å; L135-I137 HydrophobicContact CB-CG1 4.12Å; L135-I137 HydrophobicContact CD1-CD1 4.26Å
136G82.9Confident88.5Confident50 Ų5033.3 Ų33.352%0.51517%0.174SC..THydrogen-bonded Turntrans76.719.7-178.300000114.1L132 H133 D134L132-G136 PolarHBondContact O-N 2.9Å; H133-G136 WeakPolarHBondContact O-CA 3.01Å; H133-G136 PolarHBondContact O-N 3Å; D134-G136 VanDerWaalsContact C-N 3.25Å; D134-G136 PolarHBondContact O-N 3.17Å
137I83.1Confident88.1Confident25 Ų2533.3 Ų33.313%0.12817%0.174CC..  trans-101.1140.7-179.2-54.9167.2000108.5V69 I73 L132 H133 L135V69-I137 HydrophobicContact CG1-CD1 3.26Å; V69-I137 HydrophobicContact CG1-CG1 3.9Å; I73-I137 HydrophobicContact CD1-CD1 3.57Å; I73-I137 HydrophobicContact CG1-CD1 4.11Å; L132-I137 CarbonylContact C-O 3.58Å; L132-I137 HydrophobicContact CB-CB 4.25Å; L132-I137 HydrophobicContact CD2-CB 4.44Å; L132-I137 HydrophobicContact CD2-CD1 4.24Å; L132-I137 HydrophobicContact CD2-CG2 4.3Å; L132-I137 WeakPolarHBondContact O-CB 3.35Å; L132-I137 PolarHBondContact O-N 2.57Å; H133-I137 PolarHBondContact CD2-O 3.37Å; H133-I137 VanDerWaalsContact CD2-O 3.28Å; L135-I137 VanDerWaalsContact C-N 3.34Å; L135-I137 HydrophobicContact CB-CD1 3.86Å; L135-I137 HydrophobicContact CB-CG1 4.12Å; L135-I137 HydrophobicContact CD1-CD1 4.26Å
138V83.8Confident87.6Confident23 Ų2332.5 Ų32.514%0.13917%0.17CC..  trans-119.5132.2174.4-170.90000107.2R140 S166 K197 V199 D200V138-R140 HydrophobicContact CB-CG 4.06Å; V138-R140 HydrophobicContact CG1-CG 3.66Å; V138-S166 WeakPolarHBondContact O-CB 2.95Å; V138-S166 PolarHBondContact O-OG 3.22Å; V138-K197 HydrophobicContact CG2-CG 3.84Å; V138-V199 HydrophobicContact CG1-CG2 3.77Å; V138-D200 WeakPolarHBondContact CG1-OD2 3.43Å
139H85.5Confident87.4Confident1 Ų133.2 Ų33.21%0.00517%0.173CC..  trans-74.7-42.5-176.7-171.6-69.9000112.1D141 L142 I160 S161 S166 D200H139-D141 PolarHBondContact CE1-O 2.72Å; H139-D141 VanDerWaalsContact CE1-O 3.26Å; H139-D141 VanDerWaalsContact ND1-C 3.26Å; H139-D141 PolarHBondContact ND1-N 3.34Å; H139-D141 PolarHBondContact ND1-O 3.14Å; H139-D141 PolarHBondContact O-N 3.28Å; H139-L142 HydrophobicContact CB-CD1 4.35Å; H139-L142 HydrophobicContact CB-CD2 4.19Å; H139-L142 HydrophobicContact CB-CG 3.87Å; H139-L142 PolarHBondContact ND1-N 3.17Å; H139-I160 WeakPolarHBondContact NE2-CG2 3.47Å; H139-S161 PolarHBondContact NE2-O 3.26Å; H139-S166 WeakPolarHBondContact O-CB 3.02Å; H139-D200 PolarHBondContact N-OD1 3.07Å; H139-D200 PolarHBondContact N-OD2 3.46Å
140R81.8Confident87.1Confident74 Ų7437.8 Ų37.828%0.27919%0.19SC..  trans66.1-22.5175.3-57167.2173.1-163.5-6.9117.1V138 S166 Y195 V199 D200V138-R140 HydrophobicContact CB-CG 4.06Å; V138-R140 HydrophobicContact CG1-CG 3.66Å; R140-S166 WeakPolarHBondContact CD-O 3.38Å; R140-S166 PolarHBondContact NH1-O 2.78Å; R140-Y195 HydrophobicContact CG-CE2 4.09Å; R140-Y195 PolarHBondContact NH1-OH 2.89Å; R140-V199 HydrophobicContact CG-CG2 4.48Å; R140-D200 PolarHBondContact N-OD1 3.33Å
141D78.6Confident86.7Confident47 Ų4736.4 Ų36.425%0.25119%0.187SC..  trans-12444.6177.8-170.439.2000111.7H139 K143 N146H139-D141 PolarHBondContact CE1-O 2.72Å; H139-D141 VanDerWaalsContact CE1-O 3.26Å; H139-D141 VanDerWaalsContact ND1-C 3.26Å; H139-D141 PolarHBondContact ND1-N 3.34Å; H139-D141 PolarHBondContact ND1-O 3.14Å; H139-D141 PolarHBondContact O-N 3.28Å; D141-K143 PolarHBondContact O-N 2.76Å; D141-K143 IonicContact OD1-NZ 3.29Å; D141-K143 PolarHBondContact OD1-NZ 2.71Å; D141-K143 WeakPolarHBondContact OD2-CE 3.5Å; D141-K143 IonicContact OD2-NZ 2.78Å; D141-K143 PolarHBondContact OD2-NZ 3.4Å; D141-N146 PolarHBondContact O-ND2 3.38Å; D141-N146 PolarHBondContact OD2-ND2 3.09Å
142L86.8Confident86.2Confident2 Ų239.2 Ų39.21%0.0121%0.205CC..  trans-73121.4174.1-76.4175.4000109.7V129 H139 I160 D200 S203 I204V129-L142 HydrophobicContact CG1-CD1 4.47Å; V129-L142 HydrophobicContact CG2-CD1 3.7Å; V129-L142 HydrophobicContact CG2-CD2 4.41Å; H139-L142 HydrophobicContact CB-CD1 4.35Å; H139-L142 HydrophobicContact CB-CD2 4.19Å; H139-L142 HydrophobicContact CB-CG 3.87Å; H139-L142 PolarHBondContact ND1-N 3.17Å; L142-I160 HydrophobicContact CD2-CD1 4.32Å; L142-I160 HydrophobicContact CD2-CG2 4.06Å; L142-D200 HydrophobicContact CD1-CB 3.71Å; L142-S203 WeakPolarHBondContact O-CB 3.25Å; L142-I204 HydrophobicContact CD1-CD1 4.24Å; L142-I204 HydrophobicContact CD1-CG1 3.96Å
143K84.8Confident86.2Confident37 Ų3743.9 Ų43.916%0.16123%0.23CC..  trans-156.8161.1178.760.5-176.3178.9-136.70109.9D141 E145 N146 Y184D141-K143 PolarHBondContact O-N 2.76Å; D141-K143 IonicContact OD1-NZ 3.29Å; D141-K143 PolarHBondContact OD1-NZ 2.71Å; D141-K143 WeakPolarHBondContact OD2-CE 3.5Å; D141-K143 IonicContact OD2-NZ 2.78Å; D141-K143 PolarHBondContact OD2-NZ 3.4Å; K143-E145 VanDerWaalsContact CB-OE2 3.28Å; K143-E145 WeakPolarHBondContact CB-OE2 3.18Å; K143-E145 HydrophobicContact CD-CB 4.42Å; K143-E145 VanDerWaalsContact CD-OE2 3.25Å; K143-E145 WeakPolarHBondContact CD-OE2 3.07Å; K143-E145 HydrophobicContact CG-CB 4.25Å; K143-E145 WeakPolarHBondContact CG-OE2 3.16Å; K143-E145 PolarHBondContact O-N 2.97Å; K143-E145 VanDerWaalsContact O-N 3.16Å; K143-N146 HydrophobicContact CG-CB 4.32Å; K143-N146 PolarHBondContact O-N 2.63Å; K143-Y184 HydrophobicContact CB-CD2 4.04Å; K143-Y184 HydrophobicContact CB-CE2 4.27Å; K143-Y184 HydrophobicContact CB-CG 4.27Å
144P83.6Confident85.8Confident3 Ų351.6 Ų51.62%0.01927%0.266CS..G310 helixtrans-54.7-32.6-177.3-29.338.4000114.6L103 F104 N146 L147 Y184 I207L103-P144 HydrophobicContact CD2-CB 4.45Å; F104-P144 HydrophobicContact CD2-CB 3.81Å; F104-P144 HydrophobicContact CD2-CG 4.3Å; F104-P144 HydrophobicContact CE1-CB 4.4Å; F104-P144 HydrophobicContact CE1-CG 4.42Å; F104-P144 HydrophobicContact CE2-CB 3.29Å; F104-P144 HydrophobicContact CE2-CG 3.3Å; F104-P144 HydrophobicContact CZ-CB 3.61Å; F104-P144 HydrophobicContact CZ-CG 3.35Å; P144-N146 PolarHBondContact O-N 3.29Å; P144-L147 PolarHBondContact O-N 3.18Å; P144-Y184 VanDerWaalsContact CD-CE1 3.41Å; P144-Y184 WeakPolarHBondContact CD-OH 3.41Å; P144-Y184 HydrophobicContact CG-CE1 3.87Å; P144-Y184 WeakPolarHBondContact CG-OH 3.26Å; P144-I207 HydrophobicContact CG-CG1 4.33Å
145E80Confident85.6Confident59 Ų5953.4 Ų53.428%0.27628%0.276SS..G310 helixtrans-63.9-26.7177.4-61.273-164.900112.5K143 L147 W303K143-E145 VanDerWaalsContact CB-OE2 3.28Å; K143-E145 WeakPolarHBondContact CB-OE2 3.18Å; K143-E145 HydrophobicContact CD-CB 4.42Å; K143-E145 VanDerWaalsContact CD-OE2 3.25Å; K143-E145 WeakPolarHBondContact CD-OE2 3.07Å; K143-E145 HydrophobicContact CG-CB 4.25Å; K143-E145 WeakPolarHBondContact CG-OE2 3.16Å; K143-E145 PolarHBondContact O-N 2.97Å; K143-E145 VanDerWaalsContact O-N 3.16Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-W303 WeakPolarHBondContact OE1-CH2 3.25Å; E145-W303 WeakPolarHBondContact OE1-CZ3 3.22Å
146N85.6Confident85.9Confident13 Ų1349.9 Ų49.97%0.0726%0.258CS..G310 helixtrans-93.36.3178.5-70.9-19.9000112.3D141 K143 P144 I160 S161D141-N146 PolarHBondContact O-ND2 3.38Å; D141-N146 PolarHBondContact OD2-ND2 3.09Å; K143-N146 HydrophobicContact CG-CB 4.32Å; K143-N146 PolarHBondContact O-N 2.63Å; P144-N146 PolarHBondContact O-N 3.29Å; N146-I160 WeakPolarHBondContact O-CA 3.43Å; N146-S161 WeakPolarHBondContact CA-OG 3.11Å; N146-S161 PolarHBondContact O-N 3.1Å; N146-S161 PolarHBondContact O-OG 2.87Å
147L89.9Confident86.4Confident0 Ų050.9 Ų50.90%025%0.249CC..EExtended strand (participates in β ladder)trans-114.1104.4176.5-62.2-175.9000109.6L103 V125 P144 E145 I158 I160 I207L103-L147 HydrophobicContact CB-CB 4.27Å; L103-L147 WeakPolarHBondContact CB-O 3.32Å; L103-L147 HydrophobicContact CD2-CB 4.11Å; L103-L147 HydrophobicContact CD2-CD1 3.78Å; L103-L147 PolarHBondContact N-O 2.92Å; V125-L147 HydrophobicContact CG2-CD1 4.04Å; V125-L147 HydrophobicContact CG2-CD2 4.05Å; P144-L147 PolarHBondContact O-N 3.18Å; E145-L147 VanDerWaalsContact C-N 3.34Å; L147-I158 HydrophobicContact CB-CD1 4.08Å; L147-I158 HydrophobicContact CB-CG1 4.12Å; L147-I160 HydrophobicContact CD2-CB 4.49Å; L147-I160 HydrophobicContact CD2-CG1 3.78Å; L147-I207 HydrophobicContact CD1-CD1 3.98Å; L147-I207 HydrophobicContact CD1-CG2 4.06Å
148L89.1Confident87Confident39 Ų3949.7 Ų49.720%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-117.4141.5-174-57.4179.1000110.8V98 G101 E102 I158 M159V98-L148 HydrophobicContact CG1-CB 3.54Å; V98-L148 HydrophobicContact CG1-CD1 4.39Å; G101-L148 WeakPolarHBondContact O-CA 3.19Å; E102-L148 HydrophobicContact CB-CD2 4.48Å; E102-L148 HydrophobicContact CG-CD2 3.92Å; L148-I158 CarbonylContact O-C 3.49Å; L148-M159 PolarHBondContact N-O 3.11Å; L148-M159 WeakPolarHBondContact O-CA 3.1Å; L148-M159 WeakPolarHBondContact O-CB 3.49Å; L148-M159 PolarHBondContact O-N 2.94Å
149Y90.7Very high87.4Confident15 Ų1548.7 Ų48.76%0.05924%0.236CC..EExtended strand (participates in β ladder)trans-75.5137.2172.3-79.5-89.3000110.6V98 G100 G101 L103 R106 L121 S151 S156 I158V98-Y149 WeakPolarHBondContact CG1-O 3.43Å; G100-Y149 WeakPolarHBondContact CA-O 3.34Å; G100-Y149 PolarHBondContact N-O 2.8Å; G101-Y149 PolarHBondContact O-N 3.06Å; L103-Y149 HydrophobicContact CD1-CE2 4.04Å; R106-Y149 HydrophobicContact CB-CD2 3.82Å; R106-Y149 HydrophobicContact CB-CE2 3.53Å; R106-Y149 HydrophobicContact CG-CD2 3.52Å; R106-Y149 HydrophobicContact CG-CE2 3.82Å; R106-Y149 HydrophobicContact CG-CG 4.23Å; L121-Y149 VanDerWaalsContact CD1-OH 3.29Å; L121-Y149 WeakPolarHBondContact CD1-OH 3.46Å; Y149-S151 PolarHBondContact O-N 3.15Å; Y149-S156 VanDerWaalsContact CD1-O 3.25Å; Y149-S156 WeakPolarHBondContact CD1-O 3.48Å; Y149-S156 WeakPolarHBondContact CE1-O 3.35Å; Y149-I158 HydrophobicContact CD2-CD1 4.02Å; Y149-I158 HydrophobicContact CE2-CD1 4.07Å; Y149-I158 HydrophobicContact CG-CD1 4.3Å
150Y90.3Very high87.7Confident95 Ų9548.6 Ų48.637%0.37324%0.236SC..SBendtrans-53.4-50.9178.7-179.9-110.4000113.1Q96 S99 G100 S156 K157 M159Q96-Y150 VanDerWaalsContact NE2-CE2 3.32Å; S99-Y150 PolarHBondContact N-O 3.42Å; S99-Y150 VanDerWaalsContact N-O 3.15Å; G100-Y150 PolarHBondContact N-O 3.49Å; Y150-S156 PolarHBondContact N-OG 3.3Å; Y150-K157 HydrophobicContact CG-CG 4.49Å; Y150-K157 PolarHBondContact N-O 2.95Å; Y150-M159 HydrophobicContact CD2-CG 4.47Å; Y150-M159 HydrophobicContact CD2-SD 4.5Å
151S88.6Confident87.9Confident18 Ų1846 Ų4613%0.12623%0.229CC..SBendtrans-138.6173.9-179.465.40000111.4G100 Y149 D153 S156G100-S151 WeakPolarHBondContact CA-O 3.34Å; Y149-S151 PolarHBondContact O-N 3.15Å; S151-D153 WeakPolarHBondContact CB-OD2 2.96Å; S151-D153 PolarHBondContact O-N 3.36Å; S151-D153 WeakPolarHBondContact OG-CB 3.44Å; S151-D153 VanDerWaalsContact OG-CG 3.31Å; S151-D153 PolarHBondContact OG-OD2 3.43Å; S151-S156 PolarHBondContact N-OG 3.1Å; S151-S156 WeakPolarHBondContact O-CB 3.37Å; S151-S156 PolarHBondContact O-OG 3.12Å
152L86.2Confident87.7Confident119 Ų11946.6 Ų46.662%0.62323%0.232SC*.SBendtrans-76.4-5.8176.7-67.2171.7000113.2R106R106-L152 PolarHBondContact NH1-O 3.38Å; R106-L152 PolarHBondContact NH2-O 3.12Å
153D89.5Confident86.8Confident98 Ų9847.1 Ų47.152%0.52423%0.234SC..SBendtrans-61.1145.9-179.4-53.7-45.8000111R106 S151 D155 S156R106-D153 PolarHBondContact NH2-O 2.65Å; S151-D153 WeakPolarHBondContact CB-OD2 2.96Å; S151-D153 PolarHBondContact O-N 3.36Å; S151-D153 WeakPolarHBondContact OG-CB 3.44Å; S151-D153 VanDerWaalsContact OG-CG 3.31Å; S151-D153 PolarHBondContact OG-OD2 3.43Å; D153-D155 PolarHBondContact O-N 2.82Å; D153-S156 WeakPolarHBondContact O-CB 3.47Å; D153-S156 PolarHBondContact O-N 3.27Å; D153-S156 VanDerWaalsContact O-N 3.09Å
154E83.8Confident85.3Confident175 Ų17545.9 Ų45.982%0.81823%0.232SC*.THydrogen-bonded Turntrans-61-35-174.5-172.7177178.600112.7
155D86.8Confident84Confident144 Ų14447.5 Ų47.577%0.7724%0.241SC*.THydrogen-bonded Turntrans-94.212.8179.266.7-27.8000113.4D153 K157D153-D155 PolarHBondContact O-N 2.82Å; D155-K157 PolarHBondContact O-N 3.18Å
156S92.4Very high82.6Confident11 Ų1145.5 Ų45.58%0.07723%0.233CC..PPolyproline II helixtrans-55.9133.8178.9175.40000111.5Y149 Y150 S151 D153Y149-S156 VanDerWaalsContact CD1-O 3.25Å; Y149-S156 WeakPolarHBondContact CD1-O 3.48Å; Y149-S156 WeakPolarHBondContact CE1-O 3.35Å; Y150-S156 PolarHBondContact N-OG 3.3Å; S151-S156 PolarHBondContact N-OG 3.1Å; S151-S156 WeakPolarHBondContact O-CB 3.37Å; S151-S156 PolarHBondContact O-OG 3.12Å; D153-S156 WeakPolarHBondContact O-CB 3.47Å; D153-S156 PolarHBondContact O-N 3.27Å; D153-S156 VanDerWaalsContact O-N 3.09Å
157K94.1Very high80.7Confident71 Ų7151.2 Ų51.231%0.30926%0.257SS..PPolyproline II helixtrans-69.3155.2171.962.9179.1176.8169.50112.3P76 Q124 Y150 D155 M159P76-K157 WeakPolarHBondContact O-CD 3.4Å; P76-K157 WeakPolarHBondContact O-CE 3.33Å; P76-K157 PolarHBondContact O-NZ 2.99Å; Q124-K157 VanDerWaalsContact OE1-CB 3.31Å; Y150-K157 HydrophobicContact CG-CG 4.49Å; Y150-K157 PolarHBondContact N-O 2.95Å; D155-K157 PolarHBondContact O-N 3.18Å; K157-M159 HydrophobicContact CD-SD 3.97Å; K157-M159 VanDerWaalsContact CE-SD 3.58Å; K157-M159 HydrophobicContact CG-SD 4.07Å
158I95.2Very high78.6Confident0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-84145.3171.5-160.968.8000110.4N77 L103 L121 Q124 V125 L147 L148 Y149N77-I158 WeakPolarHBondContact CA-O 3.34Å; N77-I158 WeakPolarHBondContact CB-O 3.32Å; N77-I158 PolarHBondContact ND2-O 2.84Å; L103-I158 HydrophobicContact CD1-CD1 4.24Å; L121-I158 HydrophobicContact CD1-CD1 4.43Å; L121-I158 HydrophobicContact CD2-CG1 4.49Å; L121-I158 HydrophobicContact CG-CB 4.39Å; L121-I158 HydrophobicContact CG-CG1 4.45Å; L121-I158 HydrophobicContact CG-CG2 4.44Å; Q124-I158 HydrophobicContact CB-CG2 3.5Å; Q124-I158 VanDerWaalsContact CB-CG2 3.5Å; Q124-I158 HydrophobicContact CG-CG2 4.38Å; Q124-I158 VanDerWaalsContact OE1-N 3.12Å; V125-I158 HydrophobicContact CG2-CG2 4.14Å; L147-I158 HydrophobicContact CB-CD1 4.08Å; L147-I158 HydrophobicContact CB-CG1 4.12Å; L148-I158 CarbonylContact O-C 3.49Å; Y149-I158 HydrophobicContact CD2-CD1 4.02Å; Y149-I158 HydrophobicContact CE2-CD1 4.07Å; Y149-I158 HydrophobicContact CG-CD1 4.3Å
159M93.1Very high76.5Confident1 Ų154.2 Ų54.21%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-126.4129.4179.9-56.6-65-6600109I78 V79 V98 L148 Y150 K157I78-M159 WeakPolarHBondContact O-CE 3.24Å; V79-M159 HydrophobicContact CG2-CB 4.19Å; V98-M159 HydrophobicContact CG1-CB 4.36Å; V98-M159 HydrophobicContact CG1-CG 4.28Å; V98-M159 HydrophobicContact CG2-CB 4.21Å; V98-M159 HydrophobicContact CG2-CG 4.1Å; L148-M159 PolarHBondContact N-O 3.11Å; L148-M159 WeakPolarHBondContact O-CA 3.1Å; L148-M159 WeakPolarHBondContact O-CB 3.49Å; L148-M159 PolarHBondContact O-N 2.94Å; Y150-M159 HydrophobicContact CD2-CG 4.47Å; Y150-M159 HydrophobicContact CD2-SD 4.5Å; K157-M159 HydrophobicContact CD-SD 3.97Å; K157-M159 VanDerWaalsContact CE-SD 3.58Å; K157-M159 HydrophobicContact CG-SD 4.07Å
160I91.9Very high74.3Confident0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-80.7119.2168.7-55.9-176.7000108.2N77 V79 V125 A128 V129 H139 L142 N146 L147N77-I160 PolarHBondContact O-N 2.98Å; V79-I160 WeakPolarHBondContact CG2-O 3.4Å; V79-I160 PolarHBondContact N-O 3Å; V125-I160 HydrophobicContact CG1-CD1 4.28Å; A128-I160 HydrophobicContact CB-CD1 3.53Å; A128-I160 HydrophobicContact CB-CG1 4.26Å; V129-I160 HydrophobicContact CG2-CD1 3.67Å; H139-I160 WeakPolarHBondContact NE2-CG2 3.47Å; L142-I160 HydrophobicContact CD2-CD1 4.32Å; L142-I160 HydrophobicContact CD2-CG2 4.06Å; N146-I160 WeakPolarHBondContact O-CA 3.43Å; L147-I160 HydrophobicContact CD2-CB 4.49Å; L147-I160 HydrophobicContact CD2-CG1 3.78Å
161S84.4Confident72Confident18 Ų1858.3 Ų58.313%0.12631%0.306CS..  trans-102.1165.2171.962.10000111.6H139 N146 F163H139-S161 PolarHBondContact NE2-O 3.26Å; N146-S161 WeakPolarHBondContact CA-OG 3.11Å; N146-S161 PolarHBondContact O-N 3.1Å; N146-S161 PolarHBondContact O-OG 2.87Å; S161-F163 PolarHBondContact O-N 2.94Å
162D74.3Confident69.8Low60 Ų6059.9 Ų59.932%0.32133%0.325SS..  trans60.637.4169-144.2-2.5000118K49 G164K49-D162 IonicContact NZ-OD1 3.65Å; K49-D162 PolarHBondContact NZ-OD1 3.37Å; K49-D162 IonicContact NZ-OD2 3.49Å; K49-D162 PolarHBondContact NZ-OD2 2.84Å; D162-G164 PolarHBondContact O-N 2.83Å
163F68.3Low67.9Low13 Ų1355 Ų556%0.05730%0.301CS..  trans-82.40.4168.963.4-84000113.2L70 I73 I78 V79 S161 L165L70-F163 HydrophobicContact CB-CE2 4.48Å; L70-F163 HydrophobicContact CD2-CD2 3.43Å; L70-F163 VanDerWaalsContact CD2-CD2 3.43Å; L70-F163 HydrophobicContact CD2-CE2 3.36Å; L70-F163 HydrophobicContact CG-CE2 4.48Å; I73-F163 HydrophobicContact CB-CE2 4.31Å; I73-F163 HydrophobicContact CD1-CD2 3.72Å; I73-F163 HydrophobicContact CD1-CE2 3.31Å; I73-F163 HydrophobicContact CD1-CZ 4.26Å; I73-F163 HydrophobicContact CG1-CE2 4.38Å; I73-F163 HydrophobicContact CG2-CE2 4.25Å; I73-F163 HydrophobicContact CG2-CZ 4.15Å; I78-F163 HydrophobicContact CG2-CD1 3.59Å; I78-F163 HydrophobicContact CG2-CE1 3.11Å; I78-F163 HydrophobicContact CG2-CE2 4.39Å; I78-F163 HydrophobicContact CG2-CG 4.42Å; I78-F163 HydrophobicContact CG2-CZ 3.57Å; V79-F163 VanDerWaalsContact O-CE1 3.28Å; V79-F163 WeakPolarHBondContact O-CE1 3.41Å; V79-F163 WeakPolarHBondContact O-CZ 3.3Å; S161-F163 PolarHBondContact O-N 2.94Å; F163-L165 VanDerWaalsContact C-N 3.3Å; F163-L165 PolarHBondContact O-N 3.07Å
164G54.4Low65.9Low12 Ų1251.4 Ų51.412%0.12428%0.282CS..THydrogen-bonded Turntrans-69.8-16.1-15900000116.1L70 D162L70-G164 WeakPolarHBondContact CD1-O 3.22Å; D162-G164 PolarHBondContact O-N 2.83Å
165L55Low64Low37 Ų3744.6 Ų44.619%0.19425%0.251CS..THydrogen-bonded Turntrans-141.314.8-174.1-44.4172.7000112.6I51 F163 K167 M168I51-L165 HydrophobicContact CD1-CD1 3.83Å; I51-L165 HydrophobicContact CD1-CD2 3.93Å; I51-L165 HydrophobicContact CD1-CG 4.43Å; F163-L165 VanDerWaalsContact C-N 3.3Å; F163-L165 PolarHBondContact O-N 3.07Å; L165-K167 PolarHBondContact O-N 3.24Å; L165-M168 HydrophobicContact CB-CE 3.71Å; L165-M168 HydrophobicContact CD1-CE 4.36Å; L165-M168 HydrophobicContact CD2-CE 3.03Å; L165-M168 HydrophobicContact CG-CE 3.81Å; L165-M168 PolarHBondContact O-N 3.46Å
166S51.1Low61.9Low16 Ų1641.2 Ų41.211%0.11224%0.239CC..THydrogen-bonded Turntrans-54.4-25.7-170.2610000114V138 H139 R140V138-S166 WeakPolarHBondContact O-CB 2.95Å; V138-S166 PolarHBondContact O-OG 3.22Å; H139-S166 WeakPolarHBondContact O-CB 3.02Å; R140-S166 WeakPolarHBondContact CD-O 3.38Å; R140-S166 PolarHBondContact NH1-O 2.78Å
167K45.8Very low59.8Low133 Ų13342 Ų4258%0.57824%0.243SC*.THydrogen-bonded Turntrans-90.6-19.4-179.4-159179.2-174.6-175.20114.2E66 L165 E169E66-K167 HydrophobicContact CG-CD 4.37Å; E66-K167 WeakPolarHBondContact OE1-CB 3.41Å; E66-K167 WeakPolarHBondContact OE1-CD 3.41Å; L165-K167 PolarHBondContact O-N 3.24Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 3.24Å
168M44.9Very low57.5Low21 Ų2138.8 Ų38.810%0.10323%0.23CC..THydrogen-bonded Turntrans-81.2-6.8178.4-60-157.4-80.600114.1K59 M63 E66 L165 D170K59-M168 PolarHBondContact NZ-O 3.36Å; M63-M168 HydrophobicContact CB-SD 3.92Å; M63-M168 HydrophobicContact CE-CE 4.16Å; M63-M168 HydrophobicContact CE-SD 3.68Å; M63-M168 HydrophobicContact CG-CE 4.12Å; M63-M168 HydrophobicContact CG-SD 3.83Å; E66-M168 WeakPolarHBondContact OE2-CG 3.48Å; L165-M168 HydrophobicContact CB-CE 3.71Å; L165-M168 HydrophobicContact CD1-CE 4.36Å; L165-M168 HydrophobicContact CD2-CE 3.03Å; L165-M168 HydrophobicContact CG-CE 3.81Å; L165-M168 PolarHBondContact O-N 3.46Å; M168-D170 PolarHBondContact O-N 2.81Å; M168-D170 VanDerWaalsContact O-N 3.14Å
169E45.3Very low54.6Low82 Ų8239.2 Ų39.238%0.38323%0.232SC..  trans-58.9106.3169.6-79.1-100.814400110.1K167 S173 T177K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 3.24Å; E169-S173 WeakPolarHBondContact CA-OG 3.44Å; E169-S173 WeakPolarHBondContact CB-OG 3.35Å; E169-S173 VanDerWaalsContact OE2-CB 3.27Å; E169-S173 WeakPolarHBondContact OE2-CB 3.43Å; E169-S173 PolarHBondContact OE2-OG 3.39Å; E169-T177 PolarHBondContact OE2-OG1 3.24Å
170D44.7Very low52.5Low84 Ų8441.1 Ų41.145%0.44925%0.252SS..  trans-58.1162.3177.3-97.2-37.3000111.7K59 M168 G172 S173 V174K59-D170 VanDerWaalsContact CE-CG 3.44Å; K59-D170 VanDerWaalsContact CE-OD1 3.32Å; K59-D170 WeakPolarHBondContact CE-OD1 3.46Å; K59-D170 WeakPolarHBondContact CE-OD2 3.23Å; K59-D170 IonicContact NZ-OD1 3.97Å; K59-D170 PolarHBondContact NZ-OD1 2.8Å; K59-D170 IonicContact NZ-OD2 2.62Å; K59-D170 PolarHBondContact NZ-OD2 2.94Å; M168-D170 PolarHBondContact O-N 2.81Å; M168-D170 VanDerWaalsContact O-N 3.14Å; D170-G172 PolarHBondContact O-N 2.95Å; D170-S173 PolarHBondContact N-OG 3.23Å; D170-S173 VanDerWaalsContact N-OG 3.17Å; D170-S173 WeakPolarHBondContact O-CA 3.24Å; D170-S173 WeakPolarHBondContact O-CB 3.33Å; D170-S173 PolarHBondContact O-N 2.81Å; D170-S173 PolarHBondContact O-OG 3.22Å; D170-V174 PolarHBondContact O-N 3.28Å
171P41.6Very low51Low112 Ų11242.3 Ų42.373%0.72726%0.26SS*.THydrogen-bonded Turntrans-51.8-26.1166-23.833000113.4
172G42.5Very low50Low50 Ų5042.3 Ų42.352%0.51526%0.259SS..THydrogen-bonded Turntrans-78.7-19.117200000115.3D170 L175 S176D170-G172 PolarHBondContact O-N 2.95Å; G172-L175 WeakPolarHBondContact O-CB 3.48Å; G172-S176 PolarHBondContact O-N 3.41Å
173S46.3Very low50.1Low18 Ų1839.8 Ų39.813%0.12625%0.248CC..Hα-helixtrans-82.1-21.7174.979.90000112.5E169 D170 L175 S176 T177E169-S173 WeakPolarHBondContact CA-OG 3.44Å; E169-S173 WeakPolarHBondContact CB-OG 3.35Å; E169-S173 VanDerWaalsContact OE2-CB 3.27Å; E169-S173 WeakPolarHBondContact OE2-CB 3.43Å; E169-S173 PolarHBondContact OE2-OG 3.39Å; D170-S173 PolarHBondContact N-OG 3.23Å; D170-S173 VanDerWaalsContact N-OG 3.17Å; D170-S173 WeakPolarHBondContact O-CA 3.24Å; D170-S173 WeakPolarHBondContact O-CB 3.33Å; D170-S173 PolarHBondContact O-N 2.81Å; D170-S173 PolarHBondContact O-OG 3.22Å; S173-L175 PolarHBondContact O-N 3.23Å; S173-S176 CarbonylContact O-C 3.59Å; S173-S176 WeakPolarHBondContact O-CA 3.44Å; S173-S176 WeakPolarHBondContact O-CB 3.5Å; S173-S176 PolarHBondContact O-N 3.13Å; S173-T177 WeakPolarHBondContact O-CB 3.5Å; S173-T177 PolarHBondContact O-N 3.46Å; S173-T177 PolarHBondContact O-OG1 3.28Å
174V48Very low50.7Low21 Ų2139.6 Ų39.613%0.12725%0.247CC..Hα-helixtrans-52.2-40.3166.8175.20000110.3D170 A178 V189 Y195D170-V174 PolarHBondContact O-N 3.28Å; V174-A178 VanDerWaalsContact O-CB 3.23Å; V174-A178 WeakPolarHBondContact O-CB 3.48Å; V174-A178 PolarHBondContact O-N 3.16Å; V174-V189 HydrophobicContact CG1-CG1 3.62Å; V174-V189 WeakPolarHBondContact CG1-O 3.35Å; V174-Y195 HydrophobicContact CG2-CE1 4.26Å
175L43.6Very low52.1Low32 Ų3239.7 Ų39.717%0.16825%0.245CC..Hα-helixtrans-69.1-41.7173.4-67166.4000111.5G172 S173 T177 A178 C179 V313 M316G172-L175 WeakPolarHBondContact O-CB 3.48Å; S173-L175 PolarHBondContact O-N 3.23Å; L175-T177 PolarHBondContact O-N 2.95Å; L175-A178 PolarHBondContact O-N 3.35Å; L175-C179 WeakPolarHBondContact O-CB 3.36Å; L175-C179 PolarHBondContact O-N 3.22Å; L175-C179 PolarHBondContact O-SG 3.48Å; L175-V313 HydrophobicContact CD1-CG2 3.49Å; L175-V313 VanDerWaalsContact CD1-CG2 3.49Å; L175-V313 HydrophobicContact CD2-CG2 3.56Å; L175-V313 HydrophobicContact CG-CG2 4.08Å; L175-M316 HydrophobicContact CD2-SD 4.27Å
176S42.8Very low53.6Low73 Ų7338 Ų3851%0.5124%0.236SC..Hα-helixtrans-61.7-40.4176.1-167.10000113.1G172 S173 C179 G180G172-S176 PolarHBondContact O-N 3.41Å; S173-S176 CarbonylContact O-C 3.59Å; S173-S176 WeakPolarHBondContact O-CA 3.44Å; S173-S176 WeakPolarHBondContact O-CB 3.5Å; S173-S176 PolarHBondContact O-N 3.13Å; S176-C179 CarbonylContact O-C 3.56Å; S176-C179 WeakPolarHBondContact O-CA 3.48Å; S176-C179 WeakPolarHBondContact O-CB 3.27Å; S176-C179 PolarHBondContact O-N 2.78Å; S176-G180 PolarHBondContact O-N 2.96Å
177T48.2Very low55.4Low29 Ų2937.6 Ų37.618%0.17823%0.233CC..Hα-helixtrans-73.2-41.8179-61.70000111.1E169 S173 L175 C179 G180 T181 V185E169-T177 PolarHBondContact OE2-OG1 3.24Å; S173-T177 WeakPolarHBondContact O-CB 3.5Å; S173-T177 PolarHBondContact O-N 3.46Å; S173-T177 PolarHBondContact O-OG1 3.28Å; L175-T177 PolarHBondContact O-N 2.95Å; T177-C179 PolarHBondContact O-N 3.36Å; T177-G180 PolarHBondContact O-N 2.77Å; T177-G180 VanDerWaalsContact O-N 3.1Å; T177-T181 PolarHBondContact O-N 2.83Å; T177-V185 HydrophobicContact CG2-CG2 4.48Å
178A45.9Very low57.3Low2 Ų231.9 Ų31.92%0.01721%0.208CC..Hα-helixtrans-63.8-22168.200000113.3V174 L175 P182 L190V174-A178 VanDerWaalsContact O-CB 3.23Å; V174-A178 WeakPolarHBondContact O-CB 3.48Å; V174-A178 PolarHBondContact O-N 3.16Å; L175-A178 PolarHBondContact O-N 3.35Å; A178-P182 WeakPolarHBondContact O-CB 3.48Å; A178-L190 HydrophobicContact CB-CD2 3.67Å
179C35.3Very low59.1Low9 Ų931.7 Ų31.76%0.06121%0.209CC..Hα-helixtrans-90.8-13.9174-71.10000113.4L175 S176 T177 F307 A309L175-C179 WeakPolarHBondContact O-CB 3.36Å; L175-C179 PolarHBondContact O-N 3.22Å; L175-C179 PolarHBondContact O-SG 3.48Å; S176-C179 CarbonylContact O-C 3.56Å; S176-C179 WeakPolarHBondContact O-CA 3.48Å; S176-C179 WeakPolarHBondContact O-CB 3.27Å; S176-C179 PolarHBondContact O-N 2.78Å; T177-C179 PolarHBondContact O-N 3.36Å; C179-F307 HydrophobicContact CB-CB 3.83Å; C179-F307 HydrophobicContact CB-CD1 4.46Å; C179-F307 HydrophobicContact CB-CG 4.34Å; C179-F307 WeakPolarHBondContact O-CB 3.37Å; C179-F307 PolarHBondContact O-N 2.73Å; C179-A309 HydrophobicContact CB-CB 4.38Å; C179-A309 WeakPolarHBondContact SG-CA 3.34Å; C179-A309 VanDerWaalsContact SG-CB 3.57Å
180G49.4Very low60.7Low41 Ų4128 Ų2842%0.42319%0.192SC..Hα-helixtrans-83.7-56.4176.600000110.8S176 T177S176-G180 PolarHBondContact O-N 2.96Å; T177-G180 PolarHBondContact O-N 2.77Å; T177-G180 VanDerWaalsContact O-N 3.1Å
181T58.9Low62.2Low25 Ų2525 Ų2515%0.15318%0.178CC..  trans-152.775.5-170.9-480000110.9T177 G183 Y184 W303T177-T181 PolarHBondContact O-N 2.83Å; T181-G183 PolarHBondContact O-N 2.98Å; T181-Y184 HydrophobicContact CG2-CD2 3.65Å; T181-Y184 HydrophobicContact CG2-CE2 3.48Å; T181-Y184 VanDerWaalsContact CG2-CE2 3.48Å; T181-W303 HydrophobicContact CG2-CD2 4.24Å; T181-W303 HydrophobicContact CG2-CE3 4.02Å; T181-W303 HydrophobicContact CG2-CH2 3.01Å; T181-W303 HydrophobicContact CG2-CZ2 3.14Å; T181-W303 HydrophobicContact CG2-CZ3 3.35Å
182P64.4Low63.7Low18 Ų1824.7 Ų24.712%0.11717%0.167CC..G310 helixtrans-60.7-23.7-170.322-33.3000114.4A178 Y184 V185 L226 F227 I230A178-P182 WeakPolarHBondContact O-CB 3.48Å; P182-Y184 VanDerWaalsContact C-N 3.28Å; P182-Y184 PolarHBondContact O-N 3.09Å; P182-Y184 VanDerWaalsContact O-N 3.15Å; P182-V185 PolarHBondContact O-N 2.89Å; P182-V185 VanDerWaalsContact O-N 3.13Å; P182-L226 HydrophobicContact CB-CD2 4.42Å; P182-L226 HydrophobicContact CG-CD2 3.78Å; P182-F227 HydrophobicContact CB-CD1 4.35Å; P182-F227 HydrophobicContact CB-CE1 3.58Å; P182-F227 HydrophobicContact CB-CZ 4.17Å; P182-F227 HydrophobicContact CG-CE1 4.41Å; P182-I230 HydrophobicContact CB-CD1 4.46Å; P182-I230 WeakPolarHBondContact O-CD1 3.49Å
183G74.9Confident65.1Low8 Ų828.6 Ų28.68%0.08217%0.17CC..G310 helixtrans-61.9-21.9-17200000116.7T181T181-G183 PolarHBondContact O-N 2.98Å
184Y81.4Confident66.2Low9 Ų934 Ų344%0.03521%0.205CC..G310 helixtrans-104.9-2.4178.1-48.7-90.1000113.6K143 P144 T181 P182 S203 V206 I207 I210 W303K143-Y184 HydrophobicContact CB-CD2 4.04Å; K143-Y184 HydrophobicContact CB-CE2 4.27Å; K143-Y184 HydrophobicContact CB-CG 4.27Å; P144-Y184 VanDerWaalsContact CD-CE1 3.41Å; P144-Y184 WeakPolarHBondContact CD-OH 3.41Å; P144-Y184 HydrophobicContact CG-CE1 3.87Å; P144-Y184 WeakPolarHBondContact CG-OH 3.26Å; T181-Y184 HydrophobicContact CG2-CD2 3.65Å; T181-Y184 HydrophobicContact CG2-CE2 3.48Å; T181-Y184 VanDerWaalsContact CG2-CE2 3.48Å; P182-Y184 VanDerWaalsContact C-N 3.28Å; P182-Y184 PolarHBondContact O-N 3.09Å; P182-Y184 VanDerWaalsContact O-N 3.15Å; Y184-S203 PolarHBondContact O-OG 3.21Å; Y184-V206 HydrophobicContact CD1-CB 3.87Å; Y184-V206 HydrophobicContact CD1-CG1 3.3Å; Y184-V206 HydrophobicContact CE1-CB 4.48Å; Y184-V206 HydrophobicContact CE1-CG1 3.58Å; Y184-V206 HydrophobicContact CG-CG1 4.15Å; Y184-I207 HydrophobicContact CD1-CG1 4.14Å; Y184-I207 HydrophobicContact CE1-CG1 4.19Å; Y184-I210 HydrophobicContact CE1-CD1 3.55Å; Y184-I210 WeakPolarHBondContact OH-CD1 3.12Å; Y184-W303 HydrophobicContact CD2-CH2 4.36Å; Y184-W303 HydrophobicContact CD2-CZ2 4.39Å; Y184-W303 AromaticContact CE2-CH2 3.25Å; Y184-W303 HydrophobicContact CE2-CH2 3.25Å; Y184-W303 AromaticContact CE2-CZ2 3.27Å; Y184-W303 HydrophobicContact CE2-CZ2 3.27Å; Y184-W303 AromaticContact CZ-CH2 3.74Å; Y184-W303 AromaticContact CZ-CZ2 3.72Å; Y184-W303 WeakPolarHBondContact OH-CH2 3.37Å; Y184-W303 VanDerWaalsContact OH-CZ2 3.32Å; Y184-W303 WeakPolarHBondContact OH-CZ2 3.3Å
185V83.6Confident67.3Low14 Ų1436.4 Ų36.49%0.08521%0.212CC..SBendtrans-80131.1-175-1790000109T177 P182 V189 L190 W202 I230T177-V185 HydrophobicContact CG2-CG2 4.48Å; P182-V185 PolarHBondContact O-N 2.89Å; P182-V185 VanDerWaalsContact O-N 3.13Å; V185-V189 HydrophobicContact CG1-CB 3.57Å; V185-V189 HydrophobicContact CG1-CG1 3.48Å; V185-V189 VanDerWaalsContact CG1-CG1 3.48Å; V185-V189 HydrophobicContact CG1-CG2 4.49Å; V185-L190 HydrophobicContact CB-CD2 4.29Å; V185-L190 HydrophobicContact CB-CG 4.38Å; V185-L190 HydrophobicContact CG1-CD2 3.9Å; V185-L190 HydrophobicContact CG1-CG 3.9Å; V185-W202 PolarHBondContact O-NE1 2.76Å; V185-I230 WeakPolarHBondContact O-CG2 3.21Å
186A86.8Confident69Low1 Ų137.7 Ų37.71%0.00822%0.224CC..  trans-66.7151-179.600000112.3E188 V189 L190 V199 W202A186-E188 VanDerWaalsContact C-N 3.26Å; A186-E188 HydrophobicContact CB-CG 4.44Å; A186-E188 PolarHBondContact O-N 3.03Å; A186-V189 HydrophobicContact CB-CG2 4.23Å; A186-V189 WeakPolarHBondContact O-CB 3.29Å; A186-V189 PolarHBondContact O-N 2.88Å; A186-L190 PolarHBondContact O-N 2.92Å; A186-V199 HydrophobicContact CB-CB 4.07Å; A186-V199 HydrophobicContact CB-CG1 4.02Å; A186-W202 HydrophobicContact CB-CB 3.84Å; A186-W202 HydrophobicContact CB-CD2 4.36Å; A186-W202 HydrophobicContact CB-CG 3.78Å
187P89.9Confident71.2Confident7 Ų738.3 Ų38.35%0.04522%0.217CC..Hα-helixtrans-55.8-38.7-177.4-25.634.1000113.3V189 L190 A191 W202 I230 L231P187-V189 VanDerWaalsContact C-N 3.32Å; P187-V189 PolarHBondContact O-N 2.72Å; P187-L190 PolarHBondContact O-N 3.28Å; P187-A191 VanDerWaalsContact O-CB 3.3Å; P187-A191 WeakPolarHBondContact O-CB 3.43Å; P187-A191 PolarHBondContact O-N 2.81Å; P187-W202 HydrophobicContact CG-CD2 4.45Å; P187-W202 HydrophobicContact CG-CE3 4.13Å; P187-W202 HydrophobicContact CG-CH2 3.49Å; P187-W202 VanDerWaalsContact CG-CH2 3.49Å; P187-W202 HydrophobicContact CG-CZ2 3.85Å; P187-W202 HydrophobicContact CG-CZ3 3.64Å; P187-I230 HydrophobicContact CG-CG2 4.42Å; P187-I230 WeakPolarHBondContact CG-O 3.45Å; P187-L231 WeakPolarHBondContact O-CD2 3.42Å
188E85.8Confident73.3Confident13 Ų1337.5 Ų37.56%0.06121%0.213CC..Hα-helixtrans-67.8-30.6179.562.8-88.2-155.700113.3A186 A191 Q192 K193 V199 R264A186-E188 VanDerWaalsContact C-N 3.26Å; A186-E188 HydrophobicContact CB-CG 4.44Å; A186-E188 PolarHBondContact O-N 3.03Å; E188-A191 PolarHBondContact O-N 3.43Å; E188-Q192 PolarHBondContact O-N 3.47Å; E188-K193 HydrophobicContact CB-CB 4.29Å; E188-K193 PolarHBondContact O-N 2.68Å; E188-V199 HydrophobicContact CG-CG1 4.26Å; E188-R264 IonicContact OE1-CZ 3.62Å; E188-R264 IonicContact OE1-NH1 2.82Å; E188-R264 PolarHBondContact OE1-NH1 3.06Å; E188-R264 IonicContact OE1-NH2 3.88Å; E188-R264 IonicContact OE2-CZ 3.7Å; E188-R264 IonicContact OE2-NH1 2.57Å; E188-R264 IonicContact OE2-NH2 2.62Å; E188-R264 PolarHBondContact OE2-NH2 3.48Å
189V82.6Confident75.4Confident18 Ų1837.6 Ų37.611%0.10921%0.214CC..Hα-helixtrans-71.1-45176.4178.20000109.5V174 V185 A186 P187 A191 Q192 Y195 V199V174-V189 HydrophobicContact CG1-CG1 3.62Å; V174-V189 WeakPolarHBondContact CG1-O 3.35Å; V185-V189 HydrophobicContact CG1-CB 3.57Å; V185-V189 HydrophobicContact CG1-CG1 3.48Å; V185-V189 VanDerWaalsContact CG1-CG1 3.48Å; V185-V189 HydrophobicContact CG1-CG2 4.49Å; A186-V189 HydrophobicContact CB-CG2 4.23Å; A186-V189 WeakPolarHBondContact O-CB 3.29Å; A186-V189 PolarHBondContact O-N 2.88Å; P187-V189 VanDerWaalsContact C-N 3.32Å; P187-V189 PolarHBondContact O-N 2.72Å; V189-A191 VanDerWaalsContact C-N 3.3Å; V189-A191 PolarHBondContact O-N 3.21Å; V189-Q192 PolarHBondContact O-N 3.02Å; V189-Q192 VanDerWaalsContact O-N 3.07Å; V189-Y195 HydrophobicContact CG2-CD1 4.1Å; V189-Y195 HydrophobicContact CG2-CD2 4.37Å; V189-Y195 HydrophobicContact CG2-CG 3.93Å; V189-V199 HydrophobicContact CG2-CB 4.23Å; V189-V199 HydrophobicContact CG2-CG1 3.52Å
190L78.5Confident78.2Confident5 Ų537.2 Ų37.23%0.02621%0.211CC..Hα-helixtrans-63.1-36.6173.6-67179.1000112.5A178 V185 A186 P187 Q192 F227 I230 L231 M316A178-L190 HydrophobicContact CB-CD2 3.67Å; V185-L190 HydrophobicContact CB-CD2 4.29Å; V185-L190 HydrophobicContact CB-CG 4.38Å; V185-L190 HydrophobicContact CG1-CD2 3.9Å; V185-L190 HydrophobicContact CG1-CG 3.9Å; A186-L190 PolarHBondContact O-N 2.92Å; P187-L190 PolarHBondContact O-N 3.28Å; L190-Q192 PolarHBondContact O-N 3.42Å; L190-F227 HydrophobicContact CD1-CD1 3.9Å; L190-F227 HydrophobicContact CD2-CD1 3.9Å; L190-F227 HydrophobicContact CD2-CE1 3.81Å; L190-I230 HydrophobicContact CD1-CB 3.76Å; L190-I230 HydrophobicContact CD1-CD1 4.03Å; L190-I230 HydrophobicContact CD1-CG2 3.41Å; L190-I230 VanDerWaalsContact CD1-CG2 3.41Å; L190-L231 HydrophobicContact CB-CD2 3.98Å; L190-M316 HydrophobicContact CB-CE 4.24Å; L190-M316 HydrophobicContact CD2-CE 3.85Å
191A75.9Confident80.5Confident21 Ų2135.3 Ų35.317%0.17419%0.191CC..THydrogen-bonded Turntrans-74.40.1176.300000113.5P187 E188 V189 K193 L231 Q320P187-A191 VanDerWaalsContact O-CB 3.3Å; P187-A191 WeakPolarHBondContact O-CB 3.43Å; P187-A191 PolarHBondContact O-N 2.81Å; E188-A191 PolarHBondContact O-N 3.43Å; V189-A191 VanDerWaalsContact C-N 3.3Å; V189-A191 PolarHBondContact O-N 3.21Å; A191-K193 HydrophobicContact CB-CD 4.2Å; A191-K193 HydrophobicContact CB-CG 4.04Å; A191-K193 PolarHBondContact O-N 2.87Å; A191-L231 HydrophobicContact CB-CD2 4.04Å; A191-Q320 PolarHBondContact O-NE2 3.19Å
192Q72.3Confident82.3Confident105 Ų10534.1 Ų34.149%0.49118%0.184SC..THydrogen-bonded Turntrans55.233.2-176.4-57.2-176.6-13.700113.1E188 V189 L190E188-Q192 PolarHBondContact O-N 3.47Å; V189-Q192 PolarHBondContact O-N 3.02Å; V189-Q192 VanDerWaalsContact O-N 3.07Å; L190-Q192 PolarHBondContact O-N 3.42Å
193K72.1Confident83.7Confident131 Ų13133.5 Ų33.557%0.5718%0.18SC*.  trans-86.2157.2174.8-67.9-179.3179.8179.50109.9E188 A191 Y195E188-K193 HydrophobicContact CB-CB 4.29Å; E188-K193 PolarHBondContact O-N 2.68Å; A191-K193 HydrophobicContact CB-CD 4.2Å; A191-K193 HydrophobicContact CB-CG 4.04Å; A191-K193 PolarHBondContact O-N 2.87Å; K193-Y195 PolarHBondContact O-N 2.75Å
194P70.8Confident84.8Confident133 Ų13333.1 Ų33.186%0.86418%0.176SC*.  trans-53130.8164.9-22.633.5000109.4
195Y69.9Low85.6Confident70 Ų7032.7 Ų32.728%0.27518%0.175SC..  trans-125.9158.4-177.162-96.5000110.4R140 V174 V189 K193 V199R140-Y195 HydrophobicContact CG-CE2 4.09Å; R140-Y195 PolarHBondContact NH1-OH 2.89Å; V174-Y195 HydrophobicContact CG2-CE1 4.26Å; V189-Y195 HydrophobicContact CG2-CD1 4.1Å; V189-Y195 HydrophobicContact CG2-CD2 4.37Å; V189-Y195 HydrophobicContact CG2-CG 3.93Å; K193-Y195 PolarHBondContact O-N 2.75Å; Y195-V199 HydrophobicContact CD2-CG1 3.92Å; Y195-V199 HydrophobicContact CD2-CG2 4.34Å; Y195-V199 HydrophobicContact CG-CG1 4.08Å
196S80.3Confident86.3Confident59 Ų5932.1 Ų32.141%0.41317%0.171SC..  trans-129.5-162-172.4780000110.9A198 V199S196-A198 PolarHBondContact O-N 3.2Å; S196-A198 VanDerWaalsContact O-N 3.15Å; S196-A198 PolarHBondContact OG-N 3.25Å; S196-V199 WeakPolarHBondContact O-CG2 3.29Å; S196-V199 PolarHBondContact O-N 2.93Å
197K88.1Confident86.7Confident86 Ų8632 Ų3237%0.37417%0.171SC..THydrogen-bonded Turntrans-54.3-24.4171.3-68.3171.2-175.4-175.70113.7H133 V138 V199 D200H133-K197 HydrophobicContact CB-CD 3.86Å; H133-K197 HydrophobicContact CB-CG 4.35Å; H133-K197 PolarHBondContact CE1-O 2.97Å; H133-K197 WeakPolarHBondContact O-CE 3.33Å; H133-K197 PolarHBondContact O-NZ 2.82Å; V138-K197 HydrophobicContact CG2-CG 3.84Å; K197-V199 PolarHBondContact O-N 3.27Å; K197-V199 VanDerWaalsContact O-N 3.15Å; K197-D200 PolarHBondContact O-N 3.23Å
198A91.9Very high87.1Confident12 Ų1231.7 Ų31.710%0.09917%0.169CC..Hα-helixtrans-62.3-20.6-178.200000113.9S196 D200 C201 W202 P261 R264S196-A198 PolarHBondContact O-N 3.2Å; S196-A198 VanDerWaalsContact O-N 3.15Å; S196-A198 PolarHBondContact OG-N 3.25Å; A198-D200 VanDerWaalsContact C-N 3.34Å; A198-C201 WeakPolarHBondContact O-CB 3.46Å; A198-C201 PolarHBondContact O-N 3.43Å; A198-W202 PolarHBondContact O-N 2.74Å; A198-P261 HydrophobicContact CB-CB 3.89Å; A198-R264 WeakPolarHBondContact O-CD 3.25Å; A198-R264 PolarHBondContact O-NH1 3.43Å
199V91.2Very high87.6Confident5 Ų531.1 Ų31.13%0.0317%0.166CC..Hα-helixtrans-66.7-36.8178.2-56.20000112V138 R140 A186 E188 V189 Y195 S196 K197 C201 W202 S203V138-V199 HydrophobicContact CG1-CG2 3.77Å; R140-V199 HydrophobicContact CG-CG2 4.48Å; A186-V199 HydrophobicContact CB-CB 4.07Å; A186-V199 HydrophobicContact CB-CG1 4.02Å; E188-V199 HydrophobicContact CG-CG1 4.26Å; V189-V199 HydrophobicContact CG2-CB 4.23Å; V189-V199 HydrophobicContact CG2-CG1 3.52Å; Y195-V199 HydrophobicContact CD2-CG1 3.92Å; Y195-V199 HydrophobicContact CD2-CG2 4.34Å; Y195-V199 HydrophobicContact CG-CG1 4.08Å; S196-V199 WeakPolarHBondContact O-CG2 3.29Å; S196-V199 PolarHBondContact O-N 2.93Å; K197-V199 PolarHBondContact O-N 3.27Å; K197-V199 VanDerWaalsContact O-N 3.15Å; V199-C201 VanDerWaalsContact C-N 3.27Å; V199-C201 PolarHBondContact O-N 2.78Å; V199-W202 WeakPolarHBondContact O-CB 3.41Å; V199-W202 PolarHBondContact O-N 2.99Å; V199-S203 PolarHBondContact O-N 2.89Å; V199-S203 VanDerWaalsContact O-N 3.16Å; V199-S203 PolarHBondContact O-OG 3.4Å
200D93Very high88.2Confident0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-66.1-36.4177.5-66.6-21.7000110.3V129 H133 V138 H139 R140 L142 K197 A198 W202 S203 I204V129-D200 HydrophobicContact CG1-CB 3.81Å; H133-D200 IonicContact CD2-OD2 2.65Å; H133-D200 IonicContact CE1-OD2 2.71Å; H133-D200 IonicContact NE2-OD2 2.77Å; H133-D200 PolarHBondContact NE2-OD2 2.97Å; V138-D200 WeakPolarHBondContact CG1-OD2 3.43Å; H139-D200 PolarHBondContact N-OD1 3.07Å; H139-D200 PolarHBondContact N-OD2 3.46Å; R140-D200 PolarHBondContact N-OD1 3.33Å; L142-D200 HydrophobicContact CD1-CB 3.71Å; K197-D200 PolarHBondContact O-N 3.23Å; A198-D200 VanDerWaalsContact C-N 3.34Å; D200-W202 VanDerWaalsContact C-N 3.34Å; D200-W202 PolarHBondContact O-N 2.87Å; D200-S203 PolarHBondContact O-N 3.15Å; D200-I204 VanDerWaalsContact O-CG1 3.24Å; D200-I204 WeakPolarHBondContact O-CG1 3.46Å; D200-I204 PolarHBondContact O-N 3.03Å
201C97.8Very high89Confident1 Ų130 Ų301%0.00716%0.159CC..Hα-helixtrans-64.7-39.2178-580000111.3A198 V199 I204 G205 L256 R264 F265A198-C201 WeakPolarHBondContact O-CB 3.46Å; A198-C201 PolarHBondContact O-N 3.43Å; V199-C201 VanDerWaalsContact C-N 3.27Å; V199-C201 PolarHBondContact O-N 2.78Å; C201-I204 PolarHBondContact O-N 3.29Å; C201-G205 PolarHBondContact O-N 2.75Å; C201-L256 HydrophobicContact CB-CD2 3.95Å; C201-R264 HydrophobicContact CB-CG 4.44Å; C201-F265 WeakPolarHBondContact CB-O 3.21Å; C201-F265 PolarHBondContact SG-O 3.49Å; C201-F265 VanDerWaalsContact SG-O 3.42Å
202W97.1Very high90.1Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-60.3-49.8172.5174.8-84.7000111.6V185 A186 P187 A198 V199 D200 I204 G205 V206 F218 I230 A233 L256 M257V185-W202 PolarHBondContact O-NE1 2.76Å; A186-W202 HydrophobicContact CB-CB 3.84Å; A186-W202 HydrophobicContact CB-CD2 4.36Å; A186-W202 HydrophobicContact CB-CG 3.78Å; P187-W202 HydrophobicContact CG-CD2 4.45Å; P187-W202 HydrophobicContact CG-CE3 4.13Å; P187-W202 HydrophobicContact CG-CH2 3.49Å; P187-W202 VanDerWaalsContact CG-CH2 3.49Å; P187-W202 HydrophobicContact CG-CZ2 3.85Å; P187-W202 HydrophobicContact CG-CZ3 3.64Å; A198-W202 PolarHBondContact O-N 2.74Å; V199-W202 WeakPolarHBondContact O-CB 3.41Å; V199-W202 PolarHBondContact O-N 2.99Å; D200-W202 VanDerWaalsContact C-N 3.34Å; D200-W202 PolarHBondContact O-N 2.87Å; W202-I204 VanDerWaalsContact C-N 3.29Å; W202-I204 PolarHBondContact O-N 3.36Å; W202-G205 WeakPolarHBondContact O-CA 3.49Å; W202-G205 PolarHBondContact O-N 3.15Å; W202-V206 PolarHBondContact O-N 3.2Å; W202-F218 HydrophobicContact CH2-CE2 4.16Å; W202-F218 AromaticContact CH2-CZ 3.75Å; W202-F218 HydrophobicContact CH2-CZ 3.75Å; W202-F218 AromaticContact CZ2-CE2 3.41Å; W202-F218 HydrophobicContact CZ2-CE2 3.41Å; W202-F218 VanDerWaalsContact CZ2-CE2 3.41Å; W202-F218 AromaticContact CZ2-CZ 3.46Å; W202-F218 HydrophobicContact CZ2-CZ 3.46Å; W202-F218 VanDerWaalsContact CZ2-CZ 3.46Å; W202-I230 HydrophobicContact CZ2-CG2 4.05Å; W202-A233 HydrophobicContact CH2-CB 3.77Å; W202-A233 HydrophobicContact CZ3-CB 4.1Å; W202-L256 WeakPolarHBondContact CA-O 3.39Å; W202-M257 HydrophobicContact CE3-CB 4.34Å; W202-M257 HydrophobicContact CZ3-CB 4.2Å; W202-M257 WeakPolarHBondContact CZ3-O 3.43Å
203S94.8Very high91.2Very high6 Ų624.2 Ų24.24%0.04213%0.129CC..Hα-helixtrans-60.7-38.8179.5-54.20000112L142 Y184 V199 D200 G205 V206 I207L142-S203 WeakPolarHBondContact O-CB 3.25Å; Y184-S203 PolarHBondContact O-OG 3.21Å; V199-S203 PolarHBondContact O-N 2.89Å; V199-S203 VanDerWaalsContact O-N 3.16Å; V199-S203 PolarHBondContact O-OG 3.4Å; D200-S203 PolarHBondContact O-N 3.15Å; S203-G205 VanDerWaalsContact C-N 3.32Å; S203-G205 PolarHBondContact O-N 3.21Å; S203-V206 PolarHBondContact O-N 3.36Å; S203-I207 WeakPolarHBondContact O-CD1 3.43Å; S203-I207 VanDerWaalsContact O-CG1 3.25Å; S203-I207 WeakPolarHBondContact O-CG1 3.42Å; S203-I207 PolarHBondContact O-N 3.35Å
204I97.9Very high92.1Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-61.7-39.9172.9-65.5167.3000111.1I122 V125 L126 V129 L142 D200 C201 W202 I207 A208 L256I122-I204 HydrophobicContact CD1-CG2 4.2Å; I122-I204 HydrophobicContact CG2-CG2 4.11Å; V125-I204 HydrophobicContact CG1-CD1 4.13Å; V125-I204 HydrophobicContact CG1-CG1 3.91Å; L126-I204 HydrophobicContact CD2-CD1 3.88Å; L126-I204 HydrophobicContact CD2-CG2 4.11Å; L126-I204 HydrophobicContact CG-CG2 4.32Å; V129-I204 HydrophobicContact CB-CD1 4.15Å; V129-I204 HydrophobicContact CG1-CD1 4.21Å; V129-I204 HydrophobicContact CG2-CD1 4.07Å; L142-I204 HydrophobicContact CD1-CD1 4.24Å; L142-I204 HydrophobicContact CD1-CG1 3.96Å; D200-I204 VanDerWaalsContact O-CG1 3.24Å; D200-I204 WeakPolarHBondContact O-CG1 3.46Å; D200-I204 PolarHBondContact O-N 3.03Å; C201-I204 PolarHBondContact O-N 3.29Å; W202-I204 VanDerWaalsContact C-N 3.29Å; W202-I204 PolarHBondContact O-N 3.36Å; I204-I207 PolarHBondContact O-N 3.31Å; I204-A208 WeakPolarHBondContact O-CB 3.34Å; I204-A208 PolarHBondContact O-N 2.92Å; I204-L256 HydrophobicContact CB-CD1 4.39Å; I204-L256 HydrophobicContact CG2-CD1 3.89Å
205G98.3Very high93Very high0 Ų012.8 Ų12.80%07%0.065CC..Hα-helixtrans-60.8-45.1174.400000112.7C201 W202 S203 I207 A208 Y209C201-G205 PolarHBondContact O-N 2.75Å; W202-G205 WeakPolarHBondContact O-CA 3.49Å; W202-G205 PolarHBondContact O-N 3.15Å; S203-G205 VanDerWaalsContact C-N 3.32Å; S203-G205 PolarHBondContact O-N 3.21Å; G205-I207 PolarHBondContact O-N 2.79Å; G205-A208 PolarHBondContact O-N 2.91Å; G205-Y209 PolarHBondContact O-N 3.2Å
206V96.7Very high94.1Very high1 Ų110.3 Ų10.31%0.0066%0.057CC..Hα-helixtrans-62.2-42.6175.3177.10000111.3Y184 W202 S203 Y209 I210 P217 F218 M257Y184-V206 HydrophobicContact CD1-CB 3.87Å; Y184-V206 HydrophobicContact CD1-CG1 3.3Å; Y184-V206 HydrophobicContact CE1-CB 4.48Å; Y184-V206 HydrophobicContact CE1-CG1 3.58Å; Y184-V206 HydrophobicContact CG-CG1 4.15Å; W202-V206 PolarHBondContact O-N 3.2Å; S203-V206 PolarHBondContact O-N 3.36Å; V206-Y209 WeakPolarHBondContact O-CB 3.37Å; V206-Y209 PolarHBondContact O-N 3.22Å; V206-I210 HydrophobicContact CG1-CD1 4.1Å; V206-I210 WeakPolarHBondContact O-CG1 3.48Å; V206-I210 PolarHBondContact O-N 3.37Å; V206-I210 VanDerWaalsContact O-N 3.13Å; V206-P217 HydrophobicContact CB-CG 4.37Å; V206-P217 HydrophobicContact CG1-CG 3.87Å; V206-P217 HydrophobicContact CG2-CG 4.22Å; V206-F218 HydrophobicContact CG2-CE2 4.25Å; V206-M257 HydrophobicContact CG2-CE 4.03Å; V206-M257 HydrophobicContact CG2-SD 4.17Å
207I95.3Very high94.7Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-63.2-45.5176.2-67.4162.4000110.4L103 I122 P144 L147 Y184 S203 I204 G205 Y209 I210 L211L103-I207 HydrophobicContact CD2-CG2 4.27Å; I122-I207 HydrophobicContact CD1-CG2 4.19Å; P144-I207 HydrophobicContact CG-CG1 4.33Å; L147-I207 HydrophobicContact CD1-CD1 3.98Å; L147-I207 HydrophobicContact CD1-CG2 4.06Å; Y184-I207 HydrophobicContact CD1-CG1 4.14Å; Y184-I207 HydrophobicContact CE1-CG1 4.19Å; S203-I207 WeakPolarHBondContact O-CD1 3.43Å; S203-I207 VanDerWaalsContact O-CG1 3.25Å; S203-I207 WeakPolarHBondContact O-CG1 3.42Å; S203-I207 PolarHBondContact O-N 3.35Å; I204-I207 PolarHBondContact O-N 3.31Å; G205-I207 PolarHBondContact O-N 2.79Å; I207-Y209 VanDerWaalsContact C-N 3.3Å; I207-Y209 PolarHBondContact O-N 3.35Å; I207-I210 PolarHBondContact O-N 3.14Å; I207-L211 HydrophobicContact CG2-CD1 3.89Å; I207-L211 HydrophobicContact CG2-CG 4.22Å; I207-L211 WeakPolarHBondContact O-CB 3.28Å; I207-L211 VanDerWaalsContact O-CG 3.25Å; I207-L211 WeakPolarHBondContact O-CG 3.35Å; I207-L211 PolarHBondContact O-N 3.41Å
208A98.2Very high94.8Very high0 Ų04.2 Ų4.20%03%0.025CC..Hα-helixtrans-60-39.5177.100000112.2I122 I204 G205 L211 L212 F252 I253I122-A208 HydrophobicContact CD1-CB 3.82Å; I122-A208 HydrophobicContact CG1-CB 4.02Å; I204-A208 WeakPolarHBondContact O-CB 3.34Å; I204-A208 PolarHBondContact O-N 2.92Å; G205-A208 PolarHBondContact O-N 2.91Å; A208-L211 PolarHBondContact O-N 3.4Å; A208-L212 WeakPolarHBondContact O-CG 3.43Å; A208-L212 PolarHBondContact O-N 3.36Å; A208-F252 HydrophobicContact CB-CE1 4.12Å; A208-I253 HydrophobicContact CB-CG1 4.14Å
209Y98.1Very high94.5Very high1 Ų110.4 Ų10.40%0.0045%0.047CC..Hα-helixtrans-57.5-53.6173.7-173-75.4000111.1G205 V206 I207 L211 L212 C213 Y215 P217 Y235 E236 F237 W242 I253G205-Y209 PolarHBondContact O-N 3.2Å; V206-Y209 WeakPolarHBondContact O-CB 3.37Å; V206-Y209 PolarHBondContact O-N 3.22Å; I207-Y209 VanDerWaalsContact C-N 3.3Å; I207-Y209 PolarHBondContact O-N 3.35Å; Y209-L211 VanDerWaalsContact C-N 3.3Å; Y209-L211 PolarHBondContact O-N 3.5Å; Y209-L212 PolarHBondContact O-N 3.04Å; Y209-L212 VanDerWaalsContact O-N 3.09Å; Y209-C213 VanDerWaalsContact CD1-SG 3.54Å; Y209-C213 WeakPolarHBondContact CE1-SG 3.11Å; Y209-C213 PolarHBondContact O-N 3.48Å; Y209-C213 PolarHBondContact O-SG 3.21Å; Y209-Y215 VanDerWaalsContact CD1-O 3.32Å; Y209-Y215 WeakPolarHBondContact CD1-O 3.41Å; Y209-Y215 AromaticContact CE1-CD2 3.97Å; Y209-Y215 HydrophobicContact CE1-CD2 3.97Å; Y209-Y215 AromaticContact CE1-CE2 3.71Å; Y209-Y215 HydrophobicContact CE1-CE2 3.71Å; Y209-Y215 WeakPolarHBondContact CE1-O 3.25Å; Y209-Y215 AromaticContact CZ-CE2 3.94Å; Y209-Y215 WeakPolarHBondContact OH-CE2 3.4Å; Y209-Y215 PolarHBondContact OH-OH 3.29Å; Y209-P217 HydrophobicContact CD1-CB 3.77Å; Y209-P217 HydrophobicContact CD1-CG 4.09Å; Y209-P217 HydrophobicContact CD2-CB 3.78Å; Y209-P217 HydrophobicContact CD2-CG 4.49Å; Y209-P217 HydrophobicContact CE1-CB 3.88Å; Y209-P217 HydrophobicContact CE2-CB 3.89Å; Y209-P217 HydrophobicContact CG-CB 3.74Å; Y209-P217 HydrophobicContact CG-CG 4.04Å; Y209-Y235 HydrophobicContact CD2-CD2 4.43Å; Y209-Y235 HydrophobicContact CE2-CD2 4.16Å; Y209-E236 WeakPolarHBondContact CE2-O 3.47Å; Y209-E236 PolarHBondContact OH-O 3.29Å; Y209-F237 HydrophobicContact CD2-CD1 4.3Å; Y209-F237 AromaticContact CD2-CE1 3.92Å; Y209-F237 HydrophobicContact CD2-CE1 3.92Å; Y209-F237 AromaticContact CE2-CD1 3.82Å; Y209-F237 HydrophobicContact CE2-CD1 3.82Å; Y209-F237 AromaticContact CE2-CE1 3.87Å; Y209-F237 HydrophobicContact CE2-CE1 3.87Å; Y209-W242 AromaticContact CD1-CZ2 3.86Å; Y209-W242 HydrophobicContact CD1-CZ2 3.86Å; Y209-W242 AromaticContact CD2-CH2 3.89Å; Y209-W242 HydrophobicContact CD2-CH2 3.89Å; Y209-W242 AromaticContact CD2-CZ2 3.46Å; Y209-W242 HydrophobicContact CD2-CZ2 3.46Å; Y209-W242 VanDerWaalsContact CD2-CZ2 3.46Å; Y209-W242 AromaticContact CE1-CZ2 3.8Å; Y209-W242 HydrophobicContact CE1-CZ2 3.8Å; Y209-W242 AromaticContact CE2-CE2 3.86Å; Y209-W242 HydrophobicContact CE2-CH2 4.18Å; Y209-W242 AromaticContact CE2-CZ2 3.4Å; Y209-W242 HydrophobicContact CE2-CZ2 3.4Å; Y209-W242 VanDerWaalsContact CE2-CZ2 3.4Å; Y209-W242 HydrophobicContact CG-CH2 4.16Å; Y209-W242 AromaticContact CG-CZ2 3.68Å; Y209-W242 HydrophobicContact CG-CZ2 3.68Å; Y209-W242 AromaticContact CZ-CE2 3.79Å; Y209-W242 AromaticContact CZ-CZ2 3.56Å; Y209-W242 AromaticContact CZ-NE1 3.56Å; Y209-W242 PolarHBondContact OH-NE1 3.48Å; Y209-I253 HydrophobicContact CD2-CD1 4.49Å; Y209-I253 HydrophobicContact CD2-CG2 4.28Å
210I94.9Very high94.2Very high0 Ų012.3 Ų12.30%06%0.056CC..Hα-helixtrans-64.3-37.1-178.4-60.1158.3000111.2F104 Y184 V206 I207 L212 C213 G214 Y215 P216 F298F104-I210 HydrophobicContact CE1-CB 4.38Å; F104-I210 HydrophobicContact CE1-CG2 3.66Å; F104-I210 HydrophobicContact CE2-CG2 3.98Å; F104-I210 HydrophobicContact CZ-CB 3.94Å; F104-I210 HydrophobicContact CZ-CD1 4.35Å; F104-I210 HydrophobicContact CZ-CG2 3.26Å; Y184-I210 HydrophobicContact CE1-CD1 3.55Å; Y184-I210 WeakPolarHBondContact OH-CD1 3.12Å; V206-I210 HydrophobicContact CG1-CD1 4.1Å; V206-I210 WeakPolarHBondContact O-CG1 3.48Å; V206-I210 PolarHBondContact O-N 3.37Å; V206-I210 VanDerWaalsContact O-N 3.13Å; I207-I210 PolarHBondContact O-N 3.14Å; I210-L212 PolarHBondContact O-N 3.33Å; I210-L212 VanDerWaalsContact O-N 3.16Å; I210-C213 PolarHBondContact O-N 3.15Å; I210-G214 WeakPolarHBondContact O-CA 3.45Å; I210-G214 PolarHBondContact O-N 3.2Å; I210-Y215 WeakPolarHBondContact CG1-O 3.25Å; I210-P216 HydrophobicContact CD1-CB 4.48Å; I210-P216 HydrophobicContact CG1-CB 4.49Å; I210-F298 HydrophobicContact CD1-CZ 4.34Å; I210-F298 HydrophobicContact CG2-CE2 3.86Å; I210-F298 HydrophobicContact CG2-CZ 3.76Å
211L95.6Very high93.6Very high0 Ų020.7 Ų20.70%010%0.096CC..Hα-helixtrans-61.9-21.2177.3-75.3175000113.6L103 F104 I107 Y113 A118 L121 I122 I207 A208 Y209L103-L211 HydrophobicContact CD1-CD2 4.06Å; L103-L211 HydrophobicContact CD2-CD2 4.06Å; L103-L211 HydrophobicContact CG-CD2 4.15Å; F104-L211 HydrophobicContact CE1-CD2 4.07Å; I107-L211 HydrophobicContact CD1-CD2 3.27Å; Y113-L211 WeakPolarHBondContact CE1-O 3.38Å; Y113-L211 PolarHBondContact OH-O 3.36Å; A118-L211 HydrophobicContact CB-CB 4.27Å; L121-L211 HydrophobicContact CD2-CD1 3.83Å; I122-L211 HydrophobicContact CD1-CD1 3.73Å; I122-L211 HydrophobicContact CG1-CD1 3.93Å; I207-L211 HydrophobicContact CG2-CD1 3.89Å; I207-L211 HydrophobicContact CG2-CG 4.22Å; I207-L211 WeakPolarHBondContact O-CB 3.28Å; I207-L211 VanDerWaalsContact O-CG 3.25Å; I207-L211 WeakPolarHBondContact O-CG 3.35Å; I207-L211 PolarHBondContact O-N 3.41Å; A208-L211 PolarHBondContact O-N 3.4Å; Y209-L211 VanDerWaalsContact C-N 3.3Å; Y209-L211 PolarHBondContact O-N 3.5Å
212L97.7Very high92.8Very high2 Ų224.5 Ų24.51%0.0112%0.116CC..Hα-helixtrans-101.1-25.7-176.4-70.2175.6000113.9E115 A118 A208 Y209 I210 W242 I245 A249 I253 W275 I286 V290E115-L212 HydrophobicContact CB-CD2 4.24Å; E115-L212 HydrophobicContact CG-CD2 3.88Å; A118-L212 HydrophobicContact CB-CD2 3.84Å; A208-L212 WeakPolarHBondContact O-CG 3.43Å; A208-L212 PolarHBondContact O-N 3.36Å; Y209-L212 PolarHBondContact O-N 3.04Å; Y209-L212 VanDerWaalsContact O-N 3.09Å; I210-L212 PolarHBondContact O-N 3.33Å; I210-L212 VanDerWaalsContact O-N 3.16Å; L212-W242 HydrophobicContact CB-CH2 3.88Å; L212-W242 HydrophobicContact CB-CZ3 4.2Å; L212-W242 HydrophobicContact CD1-CH2 4.18Å; L212-W242 HydrophobicContact CD1-CZ3 4.13Å; L212-I245 HydrophobicContact CB-CD1 4.42Å; L212-I245 HydrophobicContact CD1-CG2 4.17Å; L212-I245 HydrophobicContact CD2-CD1 4.49Å; L212-A249 HydrophobicContact CD1-CB 3.73Å; L212-I253 HydrophobicContact CD1-CD1 3.92Å; L212-W275 HydrophobicContact CD1-CH2 4.41Å; L212-W275 HydrophobicContact CD1-CZ2 4.04Å; L212-W275 HydrophobicContact CD2-CZ2 4.07Å; L212-W275 HydrophobicContact CG-CZ2 4.46Å; L212-I286 HydrophobicContact CD2-CD1 4.22Å; L212-V290 VanDerWaalsContact O-CG2 3.23Å; L212-V290 WeakPolarHBondContact O-CG2 2.91Å
213C94.8Very high91.9Very high1 Ų127.8 Ų27.81%0.00713%0.134CC..Hα-helixtrans-125.8-14.9-178.370.20000114.7Y209 I210 Y215 W242 Q293Y209-C213 VanDerWaalsContact CD1-SG 3.54Å; Y209-C213 WeakPolarHBondContact CE1-SG 3.11Å; Y209-C213 PolarHBondContact O-N 3.48Å; Y209-C213 PolarHBondContact O-SG 3.21Å; I210-C213 PolarHBondContact O-N 3.15Å; C213-Y215 HydrophobicContact CB-CD1 3.81Å; C213-Y215 HydrophobicContact CB-CE1 3.52Å; C213-Y215 WeakPolarHBondContact SG-CD1 3.33Å; C213-Y215 WeakPolarHBondContact SG-CE1 3.23Å; C213-Y215 PolarHBondContact SG-O 3.29Å; C213-Y215 VanDerWaalsContact SG-O 3.33Å; C213-W242 HydrophobicContact CB-CZ2 3.84Å; C213-Q293 VanDerWaalsContact O-CB 3.29Å; C213-Q293 WeakPolarHBondContact O-CB 3.37Å; C213-Q293 WeakPolarHBondContact O-CG 3.42Å
214G92.2Very high91.3Very high0 Ų028.3 Ų28.30%014%0.138CC..SBendtrans78.613.1178.300000115.8I210 Q293 I294 N297I210-G214 WeakPolarHBondContact O-CA 3.45Å; I210-G214 PolarHBondContact O-N 3.2Å; G214-Q293 CarbonylContact O-C 3.58Å; G214-Q293 WeakPolarHBondContact O-CB 3.46Å; G214-I294 PolarHBondContact O-N 2.98Å; G214-N297 PolarHBondContact O-ND2 2.93Å
215Y90.4Very high90.7Very high25 Ų2533.5 Ų33.510%0.09816%0.161CC..SBendtrans-138154.2175.166.4-94.6000111.4Y209 I210 C213 D238 Y241 W242 Q293 N297Y209-Y215 VanDerWaalsContact CD1-O 3.32Å; Y209-Y215 WeakPolarHBondContact CD1-O 3.41Å; Y209-Y215 AromaticContact CE1-CD2 3.97Å; Y209-Y215 HydrophobicContact CE1-CD2 3.97Å; Y209-Y215 AromaticContact CE1-CE2 3.71Å; Y209-Y215 HydrophobicContact CE1-CE2 3.71Å; Y209-Y215 WeakPolarHBondContact CE1-O 3.25Å; Y209-Y215 AromaticContact CZ-CE2 3.94Å; Y209-Y215 WeakPolarHBondContact OH-CE2 3.4Å; Y209-Y215 PolarHBondContact OH-OH 3.29Å; I210-Y215 WeakPolarHBondContact CG1-O 3.25Å; C213-Y215 HydrophobicContact CB-CD1 3.81Å; C213-Y215 HydrophobicContact CB-CE1 3.52Å; C213-Y215 WeakPolarHBondContact SG-CD1 3.33Å; C213-Y215 WeakPolarHBondContact SG-CE1 3.23Å; C213-Y215 PolarHBondContact SG-O 3.29Å; C213-Y215 VanDerWaalsContact SG-O 3.33Å; Y215-D238 PolarHBondContact OH-OD2 3.49Å; Y215-D238 VanDerWaalsContact OH-OD2 3.13Å; Y215-Y241 HydrophobicContact CD1-CD2 4.45Å; Y215-Y241 AromaticContact CE1-CD2 3.53Å; Y215-Y241 HydrophobicContact CE1-CD2 3.53Å; Y215-Y241 HydrophobicContact CE1-CE2 4.24Å; Y215-Y241 AromaticContact CE1-CG 3.73Å; Y215-Y241 HydrophobicContact CE1-CG 3.73Å; Y215-Y241 AromaticContact CZ-CD2 4Å; Y215-W242 AromaticContact CZ-NE1 3.76Å; Y215-W242 VanDerWaalsContact OH-CD1 3.28Å; Y215-W242 PolarHBondContact OH-NE1 3.29Å; Y215-W242 VanDerWaalsContact OH-NE1 3.17Å; Y215-Q293 HydrophobicContact CD1-CG 4.48Å; Y215-N297 WeakPolarHBondContact CB-ND2 3.3Å
216P91.5Very high90.1Very high17 Ų1734.2 Ų34.211%0.1117%0.165CC..  trans-71.9145.8-178.929.4-35.3000112.3I210 F218I210-P216 HydrophobicContact CD1-CB 4.48Å; I210-P216 HydrophobicContact CG1-CB 4.49Å; P216-F218 PolarHBondContact O-N 3Å
217P93.9Very high89.6Confident13 Ų1334.4 Ų34.48%0.08417%0.165CC..SBendtrans-68.9-23.1178.225.8-32.5000113.6V206 Y209 Y235 M257V206-P217 HydrophobicContact CB-CG 4.37Å; V206-P217 HydrophobicContact CG1-CG 3.87Å; V206-P217 HydrophobicContact CG2-CG 4.22Å; Y209-P217 HydrophobicContact CD1-CB 3.77Å; Y209-P217 HydrophobicContact CD1-CG 4.09Å; Y209-P217 HydrophobicContact CD2-CB 3.78Å; Y209-P217 HydrophobicContact CD2-CG 4.49Å; Y209-P217 HydrophobicContact CE1-CB 3.88Å; Y209-P217 HydrophobicContact CE2-CB 3.89Å; Y209-P217 HydrophobicContact CG-CB 3.74Å; Y209-P217 HydrophobicContact CG-CG 4.04Å; P217-Y235 HydrophobicContact CB-CG 4.41Å; P217-M257 HydrophobicContact CB-CE 3.8Å; P217-M257 HydrophobicContact CG-CE 3.69Å; P217-M257 HydrophobicContact CG-SD 4.27Å
218F90.8Very high89.3Confident5 Ų538.1 Ų38.12%0.02218%0.183CC..  trans-122.9121.2177.8-48-72000109.1W202 V206 P216 L226 Q229 I230 E234 Y235 M257W202-F218 HydrophobicContact CH2-CE2 4.16Å; W202-F218 AromaticContact CH2-CZ 3.75Å; W202-F218 HydrophobicContact CH2-CZ 3.75Å; W202-F218 AromaticContact CZ2-CE2 3.41Å; W202-F218 HydrophobicContact CZ2-CE2 3.41Å; W202-F218 VanDerWaalsContact CZ2-CE2 3.41Å; W202-F218 AromaticContact CZ2-CZ 3.46Å; W202-F218 HydrophobicContact CZ2-CZ 3.46Å; W202-F218 VanDerWaalsContact CZ2-CZ 3.46Å; V206-F218 HydrophobicContact CG2-CE2 4.25Å; P216-F218 PolarHBondContact O-N 3Å; F218-L226 HydrophobicContact CB-CD1 3.63Å; F218-Q229 HydrophobicContact CD1-CB 4.07Å; F218-I230 HydrophobicContact CB-CD1 4.44Å; F218-I230 HydrophobicContact CB-CG1 3.82Å; F218-I230 HydrophobicContact CD1-CG1 4.12Å; F218-I230 HydrophobicContact CD2-CG1 3.84Å; F218-I230 HydrophobicContact CE2-CG1 4.44Å; F218-I230 HydrophobicContact CG-CG1 3.65Å; F218-E234 WeakPolarHBondContact CD1-O 3.48Å; F218-E234 WeakPolarHBondContact CE1-O 3.13Å; F218-Y235 AromaticContact CE1-CD1 3.96Å; F218-Y235 HydrophobicContact CE1-CD1 3.96Å; F218-Y235 HydrophobicContact CE1-CG 4.35Å; F218-Y235 AromaticContact CZ-CD1 3.87Å; F218-Y235 HydrophobicContact CZ-CD1 3.87Å; F218-Y235 HydrophobicContact CZ-CG 4.43Å; F218-M257 HydrophobicContact CD2-CE 4.38Å; F218-M257 HydrophobicContact CE1-CE 4.41Å; F218-M257 HydrophobicContact CE2-CE 3.29Å; F218-M257 HydrophobicContact CZ-CE 3.31Å
219Y84.6Confident88.9Confident142 Ų14240.4 Ų40.456%0.55719%0.193SC*.  trans-157.2128.1176.7-178.2-93.9000109.7
220D84.8Confident88.5Confident44 Ų4440.4 Ų40.424%0.23519%0.193CC..  trans-148.2145.9167.3-162.6-66.9000107.6N222 K225 L226D220-N222 PolarHBondContact O-N 3.04Å; D220-N222 WeakPolarHBondContact OD1-CA 3.43Å; D220-N222 WeakPolarHBondContact OD1-CB 3.47Å; D220-N222 PolarHBondContact OD1-N 3.46Å; D220-K225 HydrophobicContact CB-CB 3.93Å; D220-K225 VanDerWaalsContact CG-CB 3.48Å; D220-K225 WeakPolarHBondContact OD2-CB 3.38Å; D220-K225 WeakPolarHBondContact OD2-CD 3.18Å; D220-L226 HydrophobicContact CB-CB 4.22Å
221E80.1Confident88.3Confident177 Ų17742.6 Ų42.683%0.82721%0.205SC*.SBendtrans-67.4-20.3174.4-62.5-174.4161.800111.8
222N81.6Confident88.2Confident80 Ų8046.9 Ų46.943%0.42822%0.223SC..SBendtrans-100.1111.6172.9-172.9-28.5000110.3D220 A224 K225 L226D220-N222 PolarHBondContact O-N 3.04Å; D220-N222 WeakPolarHBondContact OD1-CA 3.43Å; D220-N222 WeakPolarHBondContact OD1-CB 3.47Å; D220-N222 PolarHBondContact OD1-N 3.46Å; N222-A224 PolarHBondContact O-N 2.83Å; N222-A224 VanDerWaalsContact O-N 3.08Å; N222-A224 WeakPolarHBondContact OD1-CB 3.36Å; N222-A224 PolarHBondContact OD1-N 3.23Å; N222-K225 HydrophobicContact CB-CB 4.37Å; N222-K225 HydrophobicContact CB-CD 4.2Å; N222-K225 HydrophobicContact CB-CG 4.19Å; N222-K225 WeakPolarHBondContact O-CA 3.45Å; N222-K225 WeakPolarHBondContact O-CB 3.41Å; N222-K225 PolarHBondContact O-N 3.39Å; N222-L226 PolarHBondContact O-N 2.93Å
223D78.8Confident88Confident70 Ų7047.7 Ų47.737%0.37423%0.231SC..Hα-helixtrans-51.3-37.4178.7-54.1-42000113.6K225 L226 F227 F307D223-K225 VanDerWaalsContact C-N 3.29Å; D223-K225 PolarHBondContact O-N 3.33Å; D223-L226 WeakPolarHBondContact O-CB 3.49Å; D223-L226 PolarHBondContact O-N 3.16Å; D223-F227 HydrophobicContact CB-CD2 4.36Å; D223-F227 HydrophobicContact CB-CE2 4.03Å; D223-F227 WeakPolarHBondContact O-CD2 3.48Å; D223-F227 WeakPolarHBondContact O-CG 3.38Å; D223-F227 PolarHBondContact O-N 2.79Å; D223-F307 HydrophobicContact CB-CE2 3.62Å; D223-F307 HydrophobicContact CB-CZ 3.71Å; D223-F307 WeakPolarHBondContact OD1-CE2 3.38Å; D223-F307 WeakPolarHBondContact OD2-CE2 3.49Å; D223-F307 WeakPolarHBondContact OD2-CZ 3.26Å
224A81.4Confident88Confident17 Ų1752.5 Ų52.514%0.1425%0.253CS..Hα-helixtrans-60.4-41.4177.800000112.2N222 E228 H315N222-A224 PolarHBondContact O-N 2.83Å; N222-A224 VanDerWaalsContact O-N 3.08Å; N222-A224 WeakPolarHBondContact OD1-CB 3.36Å; N222-A224 PolarHBondContact OD1-N 3.23Å; A224-E228 WeakPolarHBondContact O-CB 3.2Å; A224-E228 PolarHBondContact O-N 3.21Å; A224-H315 VanDerWaalsContact CB-CE1 3.46Å; A224-H315 WeakPolarHBondContact CB-CE1 3.35Å; A224-H315 WeakPolarHBondContact CB-NE2 3.34Å
225K85.9Confident88.2Confident108 Ų10854.5 Ų54.547%0.4726%0.261SS..Hα-helixtrans-73.4-39.6178.3-68.3-175.8176.9-1790111.1D220 N222 D223 F227 E228 Q229D220-K225 HydrophobicContact CB-CB 3.93Å; D220-K225 VanDerWaalsContact CG-CB 3.48Å; D220-K225 WeakPolarHBondContact OD2-CB 3.38Å; D220-K225 WeakPolarHBondContact OD2-CD 3.18Å; N222-K225 HydrophobicContact CB-CB 4.37Å; N222-K225 HydrophobicContact CB-CD 4.2Å; N222-K225 HydrophobicContact CB-CG 4.19Å; N222-K225 WeakPolarHBondContact O-CA 3.45Å; N222-K225 WeakPolarHBondContact O-CB 3.41Å; N222-K225 PolarHBondContact O-N 3.39Å; D223-K225 VanDerWaalsContact C-N 3.29Å; D223-K225 PolarHBondContact O-N 3.33Å; K225-F227 VanDerWaalsContact C-N 3.33Å; K225-F227 PolarHBondContact O-N 3.32Å; K225-E228 WeakPolarHBondContact O-CB 3.28Å; K225-E228 PolarHBondContact O-N 2.99Å; K225-E228 VanDerWaalsContact O-N 3.14Å; K225-Q229 WeakPolarHBondContact O-CG 3.32Å; K225-Q229 PolarHBondContact O-N 2.98Å
226L85.6Confident88.5Confident16 Ų1660 Ų608%0.08429%0.287CS..Hα-helixtrans-56.4-49172.517460.7000111P182 F218 D220 N222 D223 E228 Q229 I230P182-L226 HydrophobicContact CB-CD2 4.42Å; P182-L226 HydrophobicContact CG-CD2 3.78Å; F218-L226 HydrophobicContact CB-CD1 3.63Å; D220-L226 HydrophobicContact CB-CB 4.22Å; N222-L226 PolarHBondContact O-N 2.93Å; D223-L226 WeakPolarHBondContact O-CB 3.49Å; D223-L226 PolarHBondContact O-N 3.16Å; L226-E228 VanDerWaalsContact C-N 3.31Å; L226-E228 PolarHBondContact O-N 3.28Å; L226-Q229 PolarHBondContact O-N 3.26Å; L226-I230 HydrophobicContact CD1-CD1 4.04Å; L226-I230 HydrophobicContact CD1-CG1 4.44Å; L226-I230 HydrophobicContact CG-CD1 4.08Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.13Å
227F85.3Confident88.8Confident5 Ų561.1 Ų61.12%0.02229%0.291CS..Hα-helixtrans-62.8-38.5176.2-69.5-54.7000112.1P182 L190 D223 K225 I230 L231 F307 V312 M316P182-F227 HydrophobicContact CB-CD1 4.35Å; P182-F227 HydrophobicContact CB-CE1 3.58Å; P182-F227 HydrophobicContact CB-CZ 4.17Å; P182-F227 HydrophobicContact CG-CE1 4.41Å; L190-F227 HydrophobicContact CD1-CD1 3.9Å; L190-F227 HydrophobicContact CD2-CD1 3.9Å; L190-F227 HydrophobicContact CD2-CE1 3.81Å; D223-F227 HydrophobicContact CB-CD2 4.36Å; D223-F227 HydrophobicContact CB-CE2 4.03Å; D223-F227 WeakPolarHBondContact O-CD2 3.48Å; D223-F227 WeakPolarHBondContact O-CG 3.38Å; D223-F227 PolarHBondContact O-N 2.79Å; K225-F227 VanDerWaalsContact C-N 3.33Å; K225-F227 PolarHBondContact O-N 3.32Å; F227-I230 PolarHBondContact O-N 3.15Å; F227-L231 VanDerWaalsContact O-CB 3.31Å; F227-L231 WeakPolarHBondContact O-CB 3.45Å; F227-L231 WeakPolarHBondContact O-CG 3.26Å; F227-L231 PolarHBondContact O-N 3.1Å; F227-F307 HydrophobicContact CE2-CE2 4.34Å; F227-F307 HydrophobicContact CE2-CZ 4.24Å; F227-F307 HydrophobicContact CZ-CE2 4.45Å; F227-V312 HydrophobicContact CE2-CG1 3.88Å; F227-V312 HydrophobicContact CE2-CG2 4.13Å; F227-V312 HydrophobicContact CZ-CG1 3.88Å; F227-V312 HydrophobicContact CZ-CG2 4.18Å; F227-M316 HydrophobicContact CD1-CE 4.31Å; F227-M316 HydrophobicContact CE1-CE 4.25Å
228E89.2Confident88.8Confident78 Ų7863.5 Ų63.536%0.36430%0.303SS..Hα-helixtrans-62.1-45.9176.1-173.2176.1-17300112A224 K225 L226 I230 L231 K232A224-E228 WeakPolarHBondContact O-CB 3.2Å; A224-E228 PolarHBondContact O-N 3.21Å; K225-E228 WeakPolarHBondContact O-CB 3.28Å; K225-E228 PolarHBondContact O-N 2.99Å; K225-E228 VanDerWaalsContact O-N 3.14Å; L226-E228 VanDerWaalsContact C-N 3.31Å; L226-E228 PolarHBondContact O-N 3.28Å; E228-I230 PolarHBondContact O-N 3.05Å; E228-L231 PolarHBondContact O-N 2.89Å; E228-K232 HydrophobicContact CG-CD 4.18Å; E228-K232 WeakPolarHBondContact O-CB 3.39Å; E228-K232 WeakPolarHBondContact O-CG 3.39Å; E228-K232 PolarHBondContact O-N 3.27Å; E228-K232 WeakPolarHBondContact OE1-CE 3.42Å; E228-K232 IonicContact OE1-NZ 3.4Å; E228-K232 PolarHBondContact OE1-NZ 2.91Å
229Q90.1Very high88.9Confident48 Ų4867.3 Ų67.322%0.22433%0.33CS..Hα-helixtrans-57-48.8175.3-72.7170.5-20.100111F218 K225 L226 K232 A233 E234F218-Q229 HydrophobicContact CD1-CB 4.07Å; K225-Q229 WeakPolarHBondContact O-CG 3.32Å; K225-Q229 PolarHBondContact O-N 2.98Å; L226-Q229 PolarHBondContact O-N 3.26Å; Q229-K232 CarbonylContact O-C 3.13Å; Q229-K232 PolarHBondContact O-N 3.42Å; Q229-A233 WeakPolarHBondContact O-CA 3.32Å; Q229-A233 PolarHBondContact O-N 3.22Å; Q229-E234 PolarHBondContact O-N 2.99Å
230I90Very high89.4Confident0 Ų064.7 Ų64.70%033%0.33CS..Hα-helixtrans-62.8-48.1178.9-60.2162000110.3P182 V185 P187 L190 W202 F218 L226 F227 E228 K232 A233P182-I230 HydrophobicContact CB-CD1 4.46Å; P182-I230 WeakPolarHBondContact O-CD1 3.49Å; V185-I230 WeakPolarHBondContact O-CG2 3.21Å; P187-I230 HydrophobicContact CG-CG2 4.42Å; P187-I230 WeakPolarHBondContact CG-O 3.45Å; L190-I230 HydrophobicContact CD1-CB 3.76Å; L190-I230 HydrophobicContact CD1-CD1 4.03Å; L190-I230 HydrophobicContact CD1-CG2 3.41Å; L190-I230 VanDerWaalsContact CD1-CG2 3.41Å; W202-I230 HydrophobicContact CZ2-CG2 4.05Å; F218-I230 HydrophobicContact CB-CD1 4.44Å; F218-I230 HydrophobicContact CB-CG1 3.82Å; F218-I230 HydrophobicContact CD1-CG1 4.12Å; F218-I230 HydrophobicContact CD2-CG1 3.84Å; F218-I230 HydrophobicContact CE2-CG1 4.44Å; F218-I230 HydrophobicContact CG-CG1 3.65Å; L226-I230 HydrophobicContact CD1-CD1 4.04Å; L226-I230 HydrophobicContact CD1-CG1 4.44Å; L226-I230 HydrophobicContact CG-CD1 4.08Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.13Å; F227-I230 PolarHBondContact O-N 3.15Å; E228-I230 PolarHBondContact O-N 3.05Å; I230-K232 PolarHBondContact O-N 3.24Å; I230-A233 PolarHBondContact O-N 2.88Å
231L89.6Confident89.9Confident47 Ų4766.5 Ų66.525%0.24633%0.334CS..Hα-helixtrans-61.5-26.7180-74.9171.2000113.4P187 L190 A191 F227 E228 K259P187-L231 WeakPolarHBondContact O-CD2 3.42Å; L190-L231 HydrophobicContact CB-CD2 3.98Å; A191-L231 HydrophobicContact CB-CD2 4.04Å; F227-L231 VanDerWaalsContact O-CB 3.31Å; F227-L231 WeakPolarHBondContact O-CB 3.45Å; F227-L231 WeakPolarHBondContact O-CG 3.26Å; F227-L231 PolarHBondContact O-N 3.1Å; E228-L231 PolarHBondContact O-N 2.89Å; L231-K259 WeakPolarHBondContact O-CE 3.28Å; L231-K259 PolarHBondContact O-NZ 3.27Å
232K93.4Very high90.7Very high89 Ų8958.1 Ų58.139%0.38730%0.295SS..Hα-helixtrans-94.3-9.1175.3-65-177.5-168.91680113.6E228 Q229 I230 E234E228-K232 HydrophobicContact CG-CD 4.18Å; E228-K232 WeakPolarHBondContact O-CB 3.39Å; E228-K232 WeakPolarHBondContact O-CG 3.39Å; E228-K232 PolarHBondContact O-N 3.27Å; E228-K232 WeakPolarHBondContact OE1-CE 3.42Å; E228-K232 IonicContact OE1-NZ 3.4Å; E228-K232 PolarHBondContact OE1-NZ 2.91Å; Q229-K232 CarbonylContact O-C 3.13Å; Q229-K232 PolarHBondContact O-N 3.42Å; I230-K232 PolarHBondContact O-N 3.24Å; K232-E234 HydrophobicContact CB-CB 4.42Å; K232-E234 HydrophobicContact CB-CG 3.67Å; K232-E234 VanDerWaalsContact CD-CD 3.46Å; K232-E234 HydrophobicContact CD-CG 4.39Å; K232-E234 WeakPolarHBondContact CD-OE1 3.34Å; K232-E234 IonicContact NZ-OE1 2.65Å
233A95.1Very high91.4Very high20 Ų2058.9 Ų58.917%0.16530%0.299CS..THydrogen-bonded Turntrans53.541.8-168.300000112W202 Q229 I230 Y235 K259W202-A233 HydrophobicContact CH2-CB 3.77Å; W202-A233 HydrophobicContact CZ3-CB 4.1Å; Q229-A233 WeakPolarHBondContact O-CA 3.32Å; Q229-A233 PolarHBondContact O-N 3.22Å; I230-A233 PolarHBondContact O-N 2.88Å; A233-Y235 WeakPolarHBondContact O-CD1 2.95Å; A233-Y235 PolarHBondContact O-N 3.49Å; A233-K259 HydrophobicContact CB-CB 3.86Å
234E94.9Very high92.2Very high101 Ų10159.6 Ų59.647%0.47230%0.303SS..  trans-86.999.5177.4-75.5172.418000109.6F218 Q229 K232F218-E234 WeakPolarHBondContact CD1-O 3.48Å; F218-E234 WeakPolarHBondContact CE1-O 3.13Å; Q229-E234 PolarHBondContact O-N 2.99Å; K232-E234 HydrophobicContact CB-CB 4.42Å; K232-E234 HydrophobicContact CB-CG 3.67Å; K232-E234 VanDerWaalsContact CD-CD 3.46Å; K232-E234 HydrophobicContact CD-CG 4.39Å; K232-E234 WeakPolarHBondContact CD-OE1 3.34Å; K232-E234 IonicContact NZ-OE1 2.65Å
235Y96.3Very high93Very high42 Ų4259.1 Ų59.117%0.16530%0.298CS..  trans-139.6156.3171.263.6-83.8000109.1Y209 P217 F218 A233 F237 I253 R254 M257Y209-Y235 HydrophobicContact CD2-CD2 4.43Å; Y209-Y235 HydrophobicContact CE2-CD2 4.16Å; P217-Y235 HydrophobicContact CB-CG 4.41Å; F218-Y235 AromaticContact CE1-CD1 3.96Å; F218-Y235 HydrophobicContact CE1-CD1 3.96Å; F218-Y235 HydrophobicContact CE1-CG 4.35Å; F218-Y235 AromaticContact CZ-CD1 3.87Å; F218-Y235 HydrophobicContact CZ-CD1 3.87Å; F218-Y235 HydrophobicContact CZ-CG 4.43Å; A233-Y235 WeakPolarHBondContact O-CD1 2.95Å; A233-Y235 PolarHBondContact O-N 3.49Å; Y235-F237 HydrophobicContact CD2-CZ 4.47Å; Y235-F237 HydrophobicContact CE2-CE1 4.29Å; Y235-F237 HydrophobicContact CE2-CE2 4.13Å; Y235-F237 AromaticContact CE2-CZ 3.78Å; Y235-F237 HydrophobicContact CE2-CZ 3.78Å; Y235-I253 HydrophobicContact CE2-CG2 4.24Å; Y235-R254 WeakPolarHBondContact OH-CA 2.88Å; Y235-M257 HydrophobicContact CD1-CE 3.7Å; Y235-M257 HydrophobicContact CD2-CE 4.37Å; Y235-M257 HydrophobicContact CE1-CB 3.79Å; Y235-M257 HydrophobicContact CE1-CE 3.9Å; Y235-M257 HydrophobicContact CG-CE 3.96Å
236E96Very high93.6Very high140 Ų14054.7 Ų54.765%0.65428%0.281SS*.  trans-127.9162.6-178.6-64-169.6-178.300111.2Y209Y209-E236 WeakPolarHBondContact CE2-O 3.47Å; Y209-E236 PolarHBondContact OH-O 3.29Å
237F97.6Very high94.2Very high41 Ų4159.8 Ų59.818%0.1831%0.308CS..  trans-105.676.6173.1-62.4-64.1000107.9Y209 Y235 W242 K250 I253 R254Y209-F237 HydrophobicContact CD2-CD1 4.3Å; Y209-F237 AromaticContact CD2-CE1 3.92Å; Y209-F237 HydrophobicContact CD2-CE1 3.92Å; Y209-F237 AromaticContact CE2-CD1 3.82Å; Y209-F237 HydrophobicContact CE2-CD1 3.82Å; Y209-F237 AromaticContact CE2-CE1 3.87Å; Y209-F237 HydrophobicContact CE2-CE1 3.87Å; Y235-F237 HydrophobicContact CD2-CZ 4.47Å; Y235-F237 HydrophobicContact CE2-CE1 4.29Å; Y235-F237 HydrophobicContact CE2-CE2 4.13Å; Y235-F237 AromaticContact CE2-CZ 3.78Å; Y235-F237 HydrophobicContact CE2-CZ 3.78Å; F237-W242 VanDerWaalsContact C-CD1 3.47Å; F237-W242 HydrophobicContact CB-CB 3.84Å; F237-W242 HydrophobicContact CB-CD2 3.92Å; F237-W242 HydrophobicContact CB-CE3 4.27Å; F237-W242 HydrophobicContact CB-CG 3.7Å; F237-W242 AromaticContact CD1-CD2 3.48Å; F237-W242 HydrophobicContact CD1-CD2 3.48Å; F237-W242 VanDerWaalsContact CD1-CD2 3.48Å; F237-W242 AromaticContact CD1-CE2 3.64Å; F237-W242 AromaticContact CD1-CE3 3.42Å; F237-W242 HydrophobicContact CD1-CE3 3.42Å; F237-W242 VanDerWaalsContact CD1-CE3 3.42Å; F237-W242 HydrophobicContact CD1-CG 4.19Å; F237-W242 AromaticContact CD1-CH2 3.76Å; F237-W242 HydrophobicContact CD1-CH2 3.76Å; F237-W242 AromaticContact CD1-CZ2 3.8Å; F237-W242 HydrophobicContact CD1-CZ2 3.8Å; F237-W242 AromaticContact CD1-CZ3 3.55Å; F237-W242 HydrophobicContact CD1-CZ3 3.55Å; F237-W242 HydrophobicContact CE1-CD2 4.43Å; F237-W242 HydrophobicContact CE1-CE3 4.06Å; F237-W242 AromaticContact CE1-CH2 3.76Å; F237-W242 HydrophobicContact CE1-CH2 3.76Å; F237-W242 HydrophobicContact CE1-CZ2 4.13Å; F237-W242 AromaticContact CE1-CZ3 3.7Å; F237-W242 HydrophobicContact CE1-CZ3 3.7Å; F237-W242 HydrophobicContact CG-CD2 4.14Å; F237-W242 HydrophobicContact CG-CE3 4.15Å; F237-W242 HydrophobicContact CG-CG 4.44Å; F237-K250 HydrophobicContact CB-CD 4.41Å; F237-K250 HydrophobicContact CD1-CG 4.07Å; F237-K250 HydrophobicContact CD2-CB 4.15Å; F237-K250 HydrophobicContact CD2-CD 4.31Å; F237-K250 HydrophobicContact CD2-CG 4.12Å; F237-K250 HydrophobicContact CE1-CB 4.29Å; F237-K250 HydrophobicContact CE1-CG 4.16Å; F237-K250 HydrophobicContact CE2-CB 3.84Å; F237-K250 HydrophobicContact CE2-CG 4.23Å; F237-K250 HydrophobicContact CG-CD 4.25Å; F237-K250 HydrophobicContact CG-CG 4.02Å; F237-K250 HydrophobicContact CZ-CB 3.88Å; F237-K250 HydrophobicContact CZ-CG 4.23Å; F237-I253 HydrophobicContact CE1-CB 4.34Å; F237-I253 HydrophobicContact CE1-CD1 4.2Å; F237-I253 HydrophobicContact CE1-CG2 4.08Å; F237-I253 HydrophobicContact CZ-CB 4.15Å; F237-I253 HydrophobicContact CZ-CG2 3.97Å; F237-R254 HydrophobicContact CE2-CG 4.03Å; F237-R254 HydrophobicContact CZ-CG 4.27Å
238D94Very high94.9Very high63 Ų6360.6 Ų60.634%0.33731%0.314SS..  trans-68.5138.3-167.2-51.8-65.6000114Y215 Y241 W242Y215-D238 PolarHBondContact OH-OD2 3.49Å; Y215-D238 VanDerWaalsContact OH-OD2 3.13Å; D238-Y241 PolarHBondContact O-N 3.49Å; D238-Y241 VanDerWaalsContact O-N 3.1Å; D238-W242 VanDerWaalsContact N-CD1 3.33Å; D238-W242 PolarHBondContact O-N 3.46Å; D238-W242 VanDerWaalsContact O-N 3.08Å
239S93.6Very high95.3Very high85 Ų8556.9 Ų56.959%0.59430%0.297SS*.THydrogen-bonded Turntrans-70.6144.5164.1-59.90000110.7D243S239-D243 WeakPolarHBondContact CA-OD1 3.4Å; S239-D243 VanDerWaalsContact CB-OD1 3.26Å; S239-D243 WeakPolarHBondContact CB-OD1 3.37Å; S239-D243 PolarHBondContact OG-OD1 3.15Å
240P95.1Very high95.7Very high87 Ų8755.8 Ų55.857%0.56529%0.291SS*.THydrogen-bonded Turncis-90-2.43.136.1-35.7000113.9W242 D243P240-W242 VanDerWaalsContact C-N 3.3Å; P240-W242 PolarHBondContact O-N 2.9Å; P240-D243 WeakPolarHBondContact CA-OD2 3.43Å; P240-D243 PolarHBondContact O-N 3.26Å
241Y94.6Very high96.2Very high82 Ų8258.7 Ų58.732%0.32231%0.307SS..THydrogen-bonded Turntrans-67.2-31.3-167-51.6-65.3000113.4Y215 D238 Q293Y215-Y241 HydrophobicContact CD1-CD2 4.45Å; Y215-Y241 AromaticContact CE1-CD2 3.53Å; Y215-Y241 HydrophobicContact CE1-CD2 3.53Å; Y215-Y241 HydrophobicContact CE1-CE2 4.24Å; Y215-Y241 AromaticContact CE1-CG 3.73Å; Y215-Y241 HydrophobicContact CE1-CG 3.73Å; Y215-Y241 AromaticContact CZ-CD2 4Å; D238-Y241 PolarHBondContact O-N 3.49Å; D238-Y241 VanDerWaalsContact O-N 3.1Å; Y241-Q293 HydrophobicContact CD1-CG 4.3Å; Y241-Q293 HydrophobicContact CE1-CG 4.13Å; Y241-Q293 VanDerWaalsContact CE1-NE2 3.26Å; Y241-Q293 PolarHBondContact OH-NE2 3.13Å
242W97.8Very high96.6Very high1 Ų156.5 Ų56.50%0.00430%0.295CS..THydrogen-bonded Turntrans-101.7-0.7-177.4-73.190.9000114.4Y209 L212 C213 Y215 F237 D238 P240 D244 I245 K250 I253Y209-W242 AromaticContact CD1-CZ2 3.86Å; Y209-W242 HydrophobicContact CD1-CZ2 3.86Å; Y209-W242 AromaticContact CD2-CH2 3.89Å; Y209-W242 HydrophobicContact CD2-CH2 3.89Å; Y209-W242 AromaticContact CD2-CZ2 3.46Å; Y209-W242 HydrophobicContact CD2-CZ2 3.46Å; Y209-W242 VanDerWaalsContact CD2-CZ2 3.46Å; Y209-W242 AromaticContact CE1-CZ2 3.8Å; Y209-W242 HydrophobicContact CE1-CZ2 3.8Å; Y209-W242 AromaticContact CE2-CE2 3.86Å; Y209-W242 HydrophobicContact CE2-CH2 4.18Å; Y209-W242 AromaticContact CE2-CZ2 3.4Å; Y209-W242 HydrophobicContact CE2-CZ2 3.4Å; Y209-W242 VanDerWaalsContact CE2-CZ2 3.4Å; Y209-W242 HydrophobicContact CG-CH2 4.16Å; Y209-W242 AromaticContact CG-CZ2 3.68Å; Y209-W242 HydrophobicContact CG-CZ2 3.68Å; Y209-W242 AromaticContact CZ-CE2 3.79Å; Y209-W242 AromaticContact CZ-CZ2 3.56Å; Y209-W242 AromaticContact CZ-NE1 3.56Å; Y209-W242 PolarHBondContact OH-NE1 3.48Å; L212-W242 HydrophobicContact CB-CH2 3.88Å; L212-W242 HydrophobicContact CB-CZ3 4.2Å; L212-W242 HydrophobicContact CD1-CH2 4.18Å; L212-W242 HydrophobicContact CD1-CZ3 4.13Å; C213-W242 HydrophobicContact CB-CZ2 3.84Å; Y215-W242 AromaticContact CZ-NE1 3.76Å; Y215-W242 VanDerWaalsContact OH-CD1 3.28Å; Y215-W242 PolarHBondContact OH-NE1 3.29Å; Y215-W242 VanDerWaalsContact OH-NE1 3.17Å; F237-W242 VanDerWaalsContact C-CD1 3.47Å; F237-W242 HydrophobicContact CB-CB 3.84Å; F237-W242 HydrophobicContact CB-CD2 3.92Å; F237-W242 HydrophobicContact CB-CE3 4.27Å; F237-W242 HydrophobicContact CB-CG 3.7Å; F237-W242 AromaticContact CD1-CD2 3.48Å; F237-W242 HydrophobicContact CD1-CD2 3.48Å; F237-W242 VanDerWaalsContact CD1-CD2 3.48Å; F237-W242 AromaticContact CD1-CE2 3.64Å; F237-W242 AromaticContact CD1-CE3 3.42Å; F237-W242 HydrophobicContact CD1-CE3 3.42Å; F237-W242 VanDerWaalsContact CD1-CE3 3.42Å; F237-W242 HydrophobicContact CD1-CG 4.19Å; F237-W242 AromaticContact CD1-CH2 3.76Å; F237-W242 HydrophobicContact CD1-CH2 3.76Å; F237-W242 AromaticContact CD1-CZ2 3.8Å; F237-W242 HydrophobicContact CD1-CZ2 3.8Å; F237-W242 AromaticContact CD1-CZ3 3.55Å; F237-W242 HydrophobicContact CD1-CZ3 3.55Å; F237-W242 HydrophobicContact CE1-CD2 4.43Å; F237-W242 HydrophobicContact CE1-CE3 4.06Å; F237-W242 AromaticContact CE1-CH2 3.76Å; F237-W242 HydrophobicContact CE1-CH2 3.76Å; F237-W242 HydrophobicContact CE1-CZ2 4.13Å; F237-W242 AromaticContact CE1-CZ3 3.7Å; F237-W242 HydrophobicContact CE1-CZ3 3.7Å; F237-W242 HydrophobicContact CG-CD2 4.14Å; F237-W242 HydrophobicContact CG-CE3 4.15Å; F237-W242 HydrophobicContact CG-CG 4.44Å; D238-W242 VanDerWaalsContact N-CD1 3.33Å; D238-W242 PolarHBondContact O-N 3.46Å; D238-W242 VanDerWaalsContact O-N 3.08Å; P240-W242 VanDerWaalsContact C-N 3.3Å; P240-W242 PolarHBondContact O-N 2.9Å; W242-D244 PolarHBondContact O-N 3.3Å; W242-I245 HydrophobicContact CD2-CG1 4.47Å; W242-I245 HydrophobicContact CE3-CB 3.76Å; W242-I245 HydrophobicContact CE3-CG1 4Å; W242-I245 HydrophobicContact CE3-CG2 3.65Å; W242-I245 HydrophobicContact CZ3-CB 4.29Å; W242-I245 HydrophobicContact CZ3-CG2 3.66Å; W242-I245 PolarHBondContact O-N 2.86Å; W242-K250 HydrophobicContact CE3-CD 4.47Å; W242-K250 HydrophobicContact CE3-CG 3.85Å; W242-K250 HydrophobicContact CZ3-CG 4.05Å; W242-K250 WeakPolarHBondContact O-CE 3.46Å; W242-K250 PolarHBondContact O-NZ 3.16Å; W242-I253 HydrophobicContact CH2-CD1 3.48Å; W242-I253 VanDerWaalsContact CH2-CD1 3.48Å; W242-I253 HydrophobicContact CZ3-CD1 3.92Å
243D96.1Very high96.9Very high96 Ų9652.2 Ų52.251%0.51328%0.277SS..THydrogen-bonded Turntrans-63.5-34.1-177.2-68.1-5.7000111.5S239 P240S239-D243 WeakPolarHBondContact CA-OD1 3.4Å; S239-D243 VanDerWaalsContact CB-OD1 3.26Å; S239-D243 WeakPolarHBondContact CB-OD1 3.37Å; S239-D243 PolarHBondContact OG-OD1 3.15Å; P240-D243 WeakPolarHBondContact CA-OD2 3.43Å; P240-D243 PolarHBondContact O-N 3.26Å
244D94.8Very high97Very high85 Ų8556.3 Ų56.346%0.45529%0.288SS..THydrogen-bonded Turntrans-95.41.4-178.3-76.3-35.6000114.1W242 K284W242-D244 PolarHBondContact O-N 3.3Å; D244-K284 HydrophobicContact CB-CD 4.32Å; D244-K284 IonicContact OD1-NZ 3.24Å; D244-K284 PolarHBondContact OD1-NZ 3.13Å; D244-K284 WeakPolarHBondContact OD2-CE 3.4Å; D244-K284 IonicContact OD2-NZ 3.75Å; D244-K284 PolarHBondContact OD2-NZ 2.83Å
245I98.2Very high97.2Very high7 Ų754.3 Ų54.34%0.03628%0.279CS..SBendtrans-94.4133.8179.2-56.2-60.2000110E115 L212 W242 A249 K250 I286E115-I245 HydrophobicContact CG-CD1 4.31Å; E115-I245 VanDerWaalsContact OE1-CA 3.28Å; E115-I245 WeakPolarHBondContact OE1-CA 3.48Å; L212-I245 HydrophobicContact CB-CD1 4.42Å; L212-I245 HydrophobicContact CD1-CG2 4.17Å; L212-I245 HydrophobicContact CD2-CD1 4.49Å; W242-I245 HydrophobicContact CD2-CG1 4.47Å; W242-I245 HydrophobicContact CE3-CB 3.76Å; W242-I245 HydrophobicContact CE3-CG1 4Å; W242-I245 HydrophobicContact CE3-CG2 3.65Å; W242-I245 HydrophobicContact CZ3-CB 4.29Å; W242-I245 HydrophobicContact CZ3-CG2 3.66Å; W242-I245 PolarHBondContact O-N 2.86Å; I245-A249 HydrophobicContact CG2-CB 3.79Å; I245-K250 VanDerWaalsContact O-CE 3.24Å; I245-K250 WeakPolarHBondContact O-CE 3.37Å; I245-K250 PolarHBondContact O-NZ 3.41Å; I245-I286 HydrophobicContact CD1-CD1 3.89Å; I245-I286 HydrophobicContact CD1-CG2 4.08Å
246S98.4Very high97.3Very high15 Ų1552.3 Ų52.311%0.10527%0.271CS..  trans-59.1145.3-176.270.60000113E115 S248 A249 K250E115-S246 PolarHBondContact OE1-N 3.36Å; E115-S246 WeakPolarHBondContact OE2-CB 3.44Å; E115-S246 PolarHBondContact OE2-OG 3.24Å; S246-S248 PolarHBondContact O-N 2.69Å; S246-A249 PolarHBondContact O-N 2.97Å; S246-A249 VanDerWaalsContact O-N 3.14Å; S246-A249 WeakPolarHBondContact OG-CB 3.47Å; S246-A249 PolarHBondContact OG-N 3.36Å; S246-K250 PolarHBondContact O-N 3.19Å
247D98.6Very high97.4Very high123 Ų12345.8 Ų45.866%0.65824%0.24SC*.Hα-helixtrans-60.8-28.5172.4-69.3-32.3000111.8K250 D251D247-K250 PolarHBondContact O-N 3.35Å; D247-K250 IonicContact OD1-NZ 2.74Å; D247-D251 VanDerWaalsContact O-CB 3.26Å; D247-D251 WeakPolarHBondContact O-CB 3.42Å; D247-D251 PolarHBondContact O-N 3.07Å
248S98.8Very high97.4Very high22 Ų2247.1 Ų47.115%0.15425%0.247CC..Hα-helixtrans-67.2-40.2175.6-164.20000112.2S246 D251 F252 H273 T280S246-S248 PolarHBondContact O-N 2.69Å; S248-D251 PolarHBondContact O-N 2.75Å; S248-F252 WeakPolarHBondContact O-CB 3.3Å; S248-F252 PolarHBondContact O-N 2.98Å; S248-H273 PolarHBondContact O-CE1 3.07Å; S248-H273 VanDerWaalsContact O-CE1 3.26Å; S248-T280 VanDerWaalsContact CB-OG1 3.3Å; S248-T280 WeakPolarHBondContact CB-OG1 3.25Å; S248-T280 WeakPolarHBondContact OG-CB 3.43Å; S248-T280 PolarHBondContact OG-OG1 3.2Å
249A98.8Very high97.5Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-64.3-42.8173.900000111.8L212 I245 S246 D251 F252 I253 W275L212-A249 HydrophobicContact CD1-CB 3.73Å; I245-A249 HydrophobicContact CG2-CB 3.79Å; S246-A249 PolarHBondContact O-N 2.97Å; S246-A249 VanDerWaalsContact O-N 3.14Å; S246-A249 WeakPolarHBondContact OG-CB 3.47Å; S246-A249 PolarHBondContact OG-N 3.36Å; A249-D251 VanDerWaalsContact C-N 3.35Å; A249-D251 PolarHBondContact O-N 3.38Å; A249-F252 WeakPolarHBondContact O-CB 3.19Å; A249-F252 PolarHBondContact O-N 3.34Å; A249-I253 WeakPolarHBondContact O-CG1 3.36Å; A249-I253 PolarHBondContact O-N 2.9Å; A249-W275 HydrophobicContact CB-CD2 4.25Å; A249-W275 HydrophobicContact CB-CG 4.22Å; A249-W275 HydrophobicContact CB-CZ2 4.33Å; A249-W275 VanDerWaalsContact CB-NE1 3.3Å
250K98.8Very high97.6Very high25 Ų2547.8 Ų47.811%0.10924%0.239CC..Hα-helixtrans-62.6-43176.2-64.3169.3-173.5162.60111.1F237 W242 I245 S246 D247 I253 R254F237-K250 HydrophobicContact CB-CD 4.41Å; F237-K250 HydrophobicContact CD1-CG 4.07Å; F237-K250 HydrophobicContact CD2-CB 4.15Å; F237-K250 HydrophobicContact CD2-CD 4.31Å; F237-K250 HydrophobicContact CD2-CG 4.12Å; F237-K250 HydrophobicContact CE1-CB 4.29Å; F237-K250 HydrophobicContact CE1-CG 4.16Å; F237-K250 HydrophobicContact CE2-CB 3.84Å; F237-K250 HydrophobicContact CE2-CG 4.23Å; F237-K250 HydrophobicContact CG-CD 4.25Å; F237-K250 HydrophobicContact CG-CG 4.02Å; F237-K250 HydrophobicContact CZ-CB 3.88Å; F237-K250 HydrophobicContact CZ-CG 4.23Å; W242-K250 HydrophobicContact CE3-CD 4.47Å; W242-K250 HydrophobicContact CE3-CG 3.85Å; W242-K250 HydrophobicContact CZ3-CG 4.05Å; W242-K250 WeakPolarHBondContact O-CE 3.46Å; W242-K250 PolarHBondContact O-NZ 3.16Å; I245-K250 VanDerWaalsContact O-CE 3.24Å; I245-K250 WeakPolarHBondContact O-CE 3.37Å; I245-K250 PolarHBondContact O-NZ 3.41Å; S246-K250 PolarHBondContact O-N 3.19Å; D247-K250 PolarHBondContact O-N 3.35Å; D247-K250 IonicContact OD1-NZ 2.74Å; K250-I253 PolarHBondContact O-N 3.36Å; K250-R254 WeakPolarHBondContact O-CG 3.48Å; K250-R254 PolarHBondContact O-N 3.18Å
251D98.8Very high97.5Very high62 Ų6245.6 Ų45.633%0.33223%0.225SC..Hα-helixtrans-62.9-44.1176.5-170.261000112.2D247 S248 A249 I253 R254 H255 H273D247-D251 VanDerWaalsContact O-CB 3.26Å; D247-D251 WeakPolarHBondContact O-CB 3.42Å; D247-D251 PolarHBondContact O-N 3.07Å; S248-D251 PolarHBondContact O-N 2.75Å; A249-D251 VanDerWaalsContact C-N 3.35Å; A249-D251 PolarHBondContact O-N 3.38Å; D251-I253 VanDerWaalsContact C-N 3.34Å; D251-I253 PolarHBondContact O-N 2.83Å; D251-R254 PolarHBondContact O-N 3.41Å; D251-H255 PolarHBondContact O-N 3.17Å; D251-H255 VanDerWaalsContact O-N 3.15Å; D251-H255 PolarHBondContact O-ND1 3.26Å; D251-H255 IonicContact OD1-CE1 3.65Å; D251-H255 PolarHBondContact OD1-CE1 3.35Å; D251-H255 IonicContact OD1-ND1 3.85Å; D251-H255 IonicContact OD2-CE1 3.4Å; D251-H255 PolarHBondContact OD2-CE1 3.13Å; D251-H255 VanDerWaalsContact OD2-CE1 3.24Å; D251-H255 IonicContact OD2-ND1 2.82Å; D251-H273 IonicContact OD2-NE2 3.21Å; D251-H273 PolarHBondContact OD2-NE2 3.1Å
252F98.9Very high97.4Very high0 Ų049.5 Ų49.50%025%0.246CC..Hα-helixtrans-55.1-48.5173.2176.1-101.6000112I122 L126 A208 S248 A249 R254 H255 L256 A270 H273 W275 I276I122-F252 HydrophobicContact CG2-CE1 3.8Å; I122-F252 HydrophobicContact CG2-CZ 3.61Å; L126-F252 HydrophobicContact CD1-CE2 4.25Å; L126-F252 HydrophobicContact CD1-CZ 3.98Å; A208-F252 HydrophobicContact CB-CE1 4.12Å; S248-F252 WeakPolarHBondContact O-CB 3.3Å; S248-F252 PolarHBondContact O-N 2.98Å; A249-F252 WeakPolarHBondContact O-CB 3.19Å; A249-F252 PolarHBondContact O-N 3.34Å; F252-R254 PolarHBondContact O-N 3.09Å; F252-H255 PolarHBondContact O-N 3.16Å; F252-L256 HydrophobicContact CD1-CD1 4.26Å; F252-L256 HydrophobicContact CE1-CD1 3.48Å; F252-L256 VanDerWaalsContact CE1-CD1 3.48Å; F252-L256 HydrophobicContact CE2-CD1 4.1Å; F252-L256 HydrophobicContact CZ-CD1 3.4Å; F252-L256 HydrophobicContact CZ-CG 4.36Å; F252-L256 PolarHBondContact O-N 3.41Å; F252-A270 HydrophobicContact CE2-CB 3.93Å; F252-A270 HydrophobicContact CZ-CB 4.48Å; F252-H273 HydrophobicContact CD2-CB 3.82Å; F252-H273 AromaticContact CD2-CG 3.66Å; F252-H273 AromaticContact CD2-ND1 3.63Å; F252-H273 HydrophobicContact CE2-CB 4.31Å; F252-W275 HydrophobicContact CB-CB 4.19Å; F252-W275 HydrophobicContact CB-CD2 4.5Å; F252-W275 HydrophobicContact CB-CE3 4.19Å; F252-W275 HydrophobicContact CD1-CD2 4.44Å; F252-W275 AromaticContact CD1-CE3 3.47Å; F252-W275 HydrophobicContact CD1-CE3 3.47Å; F252-W275 VanDerWaalsContact CD1-CE3 3.47Å; F252-W275 AromaticContact CD1-CZ3 3.65Å; F252-W275 HydrophobicContact CD1-CZ3 3.65Å; F252-W275 HydrophobicContact CD2-CE3 4.24Å; F252-W275 AromaticContact CE1-CE3 3.81Å; F252-W275 HydrophobicContact CE1-CE3 3.81Å; F252-W275 AromaticContact CE1-CZ3 3.66Å; F252-W275 HydrophobicContact CE1-CZ3 3.66Å; F252-W275 HydrophobicContact CG-CD2 4.46Å; F252-W275 AromaticContact CG-CE3 3.7Å; F252-W275 HydrophobicContact CG-CE3 3.7Å; F252-W275 HydrophobicContact CG-CZ3 4.35Å; F252-W275 HydrophobicContact CZ-CE3 4.31Å; F252-W275 HydrophobicContact CZ-CZ3 4.34Å; F252-I276 HydrophobicContact CD2-CG1 4.05Å; F252-I276 HydrophobicContact CE2-CD1 4.08Å; F252-I276 HydrophobicContact CE2-CG1 3.49Å; F252-I276 VanDerWaalsContact CE2-CG1 3.49Å; F252-I276 HydrophobicContact CZ-CD1 3.97Å; F252-I276 HydrophobicContact CZ-CG1 3.91Å
253I98.8Very high97.4Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-62.1-43178.3-71.2167.5000111A208 Y209 L212 Y235 F237 W242 A249 K250 D251 H255 L256 M257A208-I253 HydrophobicContact CB-CG1 4.14Å; Y209-I253 HydrophobicContact CD2-CD1 4.49Å; Y209-I253 HydrophobicContact CD2-CG2 4.28Å; L212-I253 HydrophobicContact CD1-CD1 3.92Å; Y235-I253 HydrophobicContact CE2-CG2 4.24Å; F237-I253 HydrophobicContact CE1-CB 4.34Å; F237-I253 HydrophobicContact CE1-CD1 4.2Å; F237-I253 HydrophobicContact CE1-CG2 4.08Å; F237-I253 HydrophobicContact CZ-CB 4.15Å; F237-I253 HydrophobicContact CZ-CG2 3.97Å; W242-I253 HydrophobicContact CH2-CD1 3.48Å; W242-I253 VanDerWaalsContact CH2-CD1 3.48Å; W242-I253 HydrophobicContact CZ3-CD1 3.92Å; A249-I253 WeakPolarHBondContact O-CG1 3.36Å; A249-I253 PolarHBondContact O-N 2.9Å; K250-I253 PolarHBondContact O-N 3.36Å; D251-I253 VanDerWaalsContact C-N 3.34Å; D251-I253 PolarHBondContact O-N 2.83Å; I253-H255 VanDerWaalsContact C-N 3.28Å; I253-H255 PolarHBondContact O-N 3.49Å; I253-L256 PolarHBondContact O-N 2.91Å; I253-L256 VanDerWaalsContact O-N 3.13Å; I253-M257 HydrophobicContact CG2-CG 4.13Å; I253-M257 HydrophobicContact CG2-SD 3.6Å; I253-M257 VanDerWaalsContact CG2-SD 3.6Å; I253-M257 WeakPolarHBondContact O-CB 3.31Å; I253-M257 PolarHBondContact O-N 2.88Å
254R98.8Very high97.5Very high106 Ų10651.9 Ų51.940%0.425%0.252SS..Hα-helixtrans-57.7-40.5178.5-72.4179.4-161.6103.62.1112.8Y235 F237 K250 D251 F252 M257 E258Y235-R254 WeakPolarHBondContact OH-CA 2.88Å; F237-R254 HydrophobicContact CE2-CG 4.03Å; F237-R254 HydrophobicContact CZ-CG 4.27Å; K250-R254 WeakPolarHBondContact O-CG 3.48Å; K250-R254 PolarHBondContact O-N 3.18Å; D251-R254 PolarHBondContact O-N 3.41Å; F252-R254 PolarHBondContact O-N 3.09Å; R254-M257 CarbonylContact O-C 3.4Å; R254-E258 PolarHBondContact O-N 2.77Å
255H98.8Very high97.7Very high59 Ų5949.8 Ų49.827%0.27324%0.239SC..Hα-helixtrans-69.4-30.7178.6-72.5101.3000113.5D251 F252 I253 F265D251-H255 PolarHBondContact O-N 3.17Å; D251-H255 VanDerWaalsContact O-N 3.15Å; D251-H255 PolarHBondContact O-ND1 3.26Å; D251-H255 IonicContact OD1-CE1 3.65Å; D251-H255 PolarHBondContact OD1-CE1 3.35Å; D251-H255 IonicContact OD1-ND1 3.85Å; D251-H255 IonicContact OD2-CE1 3.4Å; D251-H255 PolarHBondContact OD2-CE1 3.13Å; D251-H255 VanDerWaalsContact OD2-CE1 3.24Å; D251-H255 IonicContact OD2-ND1 2.82Å; F252-H255 PolarHBondContact O-N 3.16Å; I253-H255 VanDerWaalsContact C-N 3.28Å; I253-H255 PolarHBondContact O-N 3.49Å; H255-F265 HydrophobicContact CB-CB 4.22Å; H255-F265 HydrophobicContact CB-CD1 3.78Å; H255-F265 HydrophobicContact CB-CD2 3.66Å; H255-F265 HydrophobicContact CB-CE1 3.99Å; H255-F265 HydrophobicContact CB-CE2 3.87Å; H255-F265 HydrophobicContact CB-CG 3.62Å; H255-F265 HydrophobicContact CB-CZ 4.02Å; H255-F265 AromaticContact CD2-CD1 3.73Å; H255-F265 AromaticContact CD2-CE1 3.14Å; H255-F265 WeakPolarHBondContact CD2-CE1 3.43Å; H255-F265 AromaticContact CD2-CZ 3.32Å; H255-F265 WeakPolarHBondContact CD2-CZ 3.36Å; H255-F265 AromaticContact CG-CE1 3.71Å; H255-F265 AromaticContact CG-CE2 3.82Å; H255-F265 AromaticContact CG-CZ 3.59Å; H255-F265 AromaticContact NE2-CE1 3.9Å; H255-F265 AromaticContact NE2-CZ 3.77Å; H255-F265 PolarHBondContact O-N 3.39Å
256L98.5Very high97.7Very high0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-84.8-35.7176.4-72.8-178.2000113C201 W202 I204 F252 I253 E258 R264 F265 A270C201-L256 HydrophobicContact CB-CD2 3.95Å; W202-L256 WeakPolarHBondContact CA-O 3.39Å; I204-L256 HydrophobicContact CB-CD1 4.39Å; I204-L256 HydrophobicContact CG2-CD1 3.89Å; F252-L256 HydrophobicContact CD1-CD1 4.26Å; F252-L256 HydrophobicContact CE1-CD1 3.48Å; F252-L256 VanDerWaalsContact CE1-CD1 3.48Å; F252-L256 HydrophobicContact CE2-CD1 4.1Å; F252-L256 HydrophobicContact CZ-CD1 3.4Å; F252-L256 HydrophobicContact CZ-CG 4.36Å; F252-L256 PolarHBondContact O-N 3.41Å; I253-L256 PolarHBondContact O-N 2.91Å; I253-L256 VanDerWaalsContact O-N 3.13Å; L256-E258 PolarHBondContact O-N 3.41Å; L256-R264 WeakPolarHBondContact O-CD 3.4Å; L256-R264 WeakPolarHBondContact O-CG 3.38Å; L256-R264 PolarHBondContact O-NE 2.98Å; L256-F265 HydrophobicContact CD2-CB 4.09Å; L256-A270 HydrophobicContact CD2-CB 4.02Å
257M98.2Very high97.7Very high3 Ų352 Ų522%0.01525%0.252CS..SBendtrans-93.632.4176.2-62.2-176.657.800112W202 V206 P217 F218 Y235 I253 R254W202-M257 HydrophobicContact CE3-CB 4.34Å; W202-M257 HydrophobicContact CZ3-CB 4.2Å; W202-M257 WeakPolarHBondContact CZ3-O 3.43Å; V206-M257 HydrophobicContact CG2-CE 4.03Å; V206-M257 HydrophobicContact CG2-SD 4.17Å; P217-M257 HydrophobicContact CB-CE 3.8Å; P217-M257 HydrophobicContact CG-CE 3.69Å; P217-M257 HydrophobicContact CG-SD 4.27Å; F218-M257 HydrophobicContact CD2-CE 4.38Å; F218-M257 HydrophobicContact CE1-CE 4.41Å; F218-M257 HydrophobicContact CE2-CE 3.29Å; F218-M257 HydrophobicContact CZ-CE 3.31Å; Y235-M257 HydrophobicContact CD1-CE 3.7Å; Y235-M257 HydrophobicContact CD2-CE 4.37Å; Y235-M257 HydrophobicContact CE1-CB 3.79Å; Y235-M257 HydrophobicContact CE1-CE 3.9Å; Y235-M257 HydrophobicContact CG-CE 3.96Å; I253-M257 HydrophobicContact CG2-CG 4.13Å; I253-M257 HydrophobicContact CG2-SD 3.6Å; I253-M257 VanDerWaalsContact CG2-SD 3.6Å; I253-M257 WeakPolarHBondContact O-CB 3.31Å; I253-M257 PolarHBondContact O-N 2.88Å; R254-M257 CarbonylContact O-C 3.4Å
258E97.9Very high97.7Very high68 Ų6851.4 Ų51.432%0.31825%0.246SC..  trans-75.2131.6171.1170.653.6-112.300109.5R254 L256 D260 K263 R264R254-E258 PolarHBondContact O-N 2.77Å; L256-E258 PolarHBondContact O-N 3.41Å; E258-D260 HydrophobicContact CG-CB 4.49Å; E258-D260 PolarHBondContact OE1-N 2.98Å; E258-K263 HydrophobicContact CG-CB 3.74Å; E258-R264 HydrophobicContact CB-CB 4.12Å; E258-R264 HydrophobicContact CB-CG 4.35Å; E258-R264 HydrophobicContact CG-CB 4.43Å; E258-R264 VanDerWaalsContact O-CZ 3.26Å; E258-R264 PolarHBondContact O-NE 3.18Å; E258-R264 PolarHBondContact O-NH2 3.27Å
259K95.6Very high97.7Very high103 Ų10354.6 Ų54.645%0.44826%0.258SS..SBendtrans-65.7-40.8-176.5177.7174.7171.9163.30112L231 A233 P261 R264L231-K259 WeakPolarHBondContact O-CE 3.28Å; L231-K259 PolarHBondContact O-NZ 3.27Å; A233-K259 HydrophobicContact CB-CB 3.86Å; K259-P261 WeakPolarHBondContact O-CD 3.41Å; K259-R264 PolarHBondContact O-NH2 3.38Å
260D94.7Very high97.7Very high59 Ų5954.6 Ų54.632%0.31626%0.258SS..SBendtrans-80.1110.1-179.9-173-8.8000110.2E258 E262 K263 R264E258-D260 HydrophobicContact CG-CB 4.49Å; E258-D260 PolarHBondContact OE1-N 2.98Å; D260-E262 PolarHBondContact O-N 2.89Å; D260-E262 VanDerWaalsContact O-N 3.09Å; D260-E262 PolarHBondContact OD1-N 3.31Å; D260-K263 HydrophobicContact CB-CB 4.19Å; D260-K263 HydrophobicContact CB-CD 4.02Å; D260-K263 HydrophobicContact CB-CG 4.13Å; D260-K263 PolarHBondContact O-N 2.88Å; D260-K263 VanDerWaalsContact OD2-CE 3.24Å; D260-K263 WeakPolarHBondContact OD2-CE 3.46Å; D260-K263 IonicContact OD2-NZ 2.71Å; D260-R264 PolarHBondContact O-N 3.47Å
261P93Very high97.7Very high41 Ų4154.7 Ų54.727%0.26626%0.26SS..THydrogen-bonded Turntrans-61.9-21.3-175.926.4-35.2000113.4A198 K259A198-P261 HydrophobicContact CB-CB 3.89Å; K259-P261 WeakPolarHBondContact O-CD 3.41Å
262E94.1Very high97.7Very high165 Ų16558.5 Ų58.577%0.77128%0.275SS*.THydrogen-bonded Turntrans-79.4-20.1176.9-61.2-61.5129.700112.8D260D260-E262 PolarHBondContact O-N 2.89Å; D260-E262 VanDerWaalsContact O-N 3.09Å; D260-E262 PolarHBondContact OD1-N 3.31Å
263K97.2Very high97.7Very high141 Ų14159 Ų5961%0.61328%0.278SS*.THydrogen-bonded Turntrans-98.2-22.3175.2-63.7179.3-171163.90112.6E258 D260E258-K263 HydrophobicContact CG-CB 3.74Å; D260-K263 HydrophobicContact CB-CB 4.19Å; D260-K263 HydrophobicContact CB-CD 4.02Å; D260-K263 HydrophobicContact CB-CG 4.13Å; D260-K263 PolarHBondContact O-N 2.88Å; D260-K263 VanDerWaalsContact OD2-CE 3.24Å; D260-K263 WeakPolarHBondContact OD2-CE 3.46Å; D260-K263 IonicContact OD2-NZ 2.71Å
264R98.2Very high97.6Very high6 Ų662.1 Ų62.12%0.02330%0.298CS..SBendtrans-58.2137.1177.6-167.6-179-62.1148.17.5110.3E188 A198 C201 L256 E258 K259 D260 T266E188-R264 IonicContact OE1-CZ 3.62Å; E188-R264 IonicContact OE1-NH1 2.82Å; E188-R264 PolarHBondContact OE1-NH1 3.06Å; E188-R264 IonicContact OE1-NH2 3.88Å; E188-R264 IonicContact OE2-CZ 3.7Å; E188-R264 IonicContact OE2-NH1 2.57Å; E188-R264 IonicContact OE2-NH2 2.62Å; E188-R264 PolarHBondContact OE2-NH2 3.48Å; A198-R264 WeakPolarHBondContact O-CD 3.25Å; A198-R264 PolarHBondContact O-NH1 3.43Å; C201-R264 HydrophobicContact CB-CG 4.44Å; L256-R264 WeakPolarHBondContact O-CD 3.4Å; L256-R264 WeakPolarHBondContact O-CG 3.38Å; L256-R264 PolarHBondContact O-NE 2.98Å; E258-R264 HydrophobicContact CB-CB 4.12Å; E258-R264 HydrophobicContact CB-CG 4.35Å; E258-R264 HydrophobicContact CG-CB 4.43Å; E258-R264 VanDerWaalsContact O-CZ 3.26Å; E258-R264 PolarHBondContact O-NE 3.18Å; E258-R264 PolarHBondContact O-NH2 3.27Å; K259-R264 PolarHBondContact O-NH2 3.38Å; D260-R264 PolarHBondContact O-N 3.47Å; R264-T266 PolarHBondContact O-N 3.33Å
265F98.6Very high97.6Very high40 Ų4057.1 Ų57.118%0.17528%0.279CS..PPolyproline II helixtrans-60.5134.6176.2-88.720000111.2C201 H255 L256 Q269 A270C201-F265 WeakPolarHBondContact CB-O 3.21Å; C201-F265 PolarHBondContact SG-O 3.49Å; C201-F265 VanDerWaalsContact SG-O 3.42Å; H255-F265 HydrophobicContact CB-CB 4.22Å; H255-F265 HydrophobicContact CB-CD1 3.78Å; H255-F265 HydrophobicContact CB-CD2 3.66Å; H255-F265 HydrophobicContact CB-CE1 3.99Å; H255-F265 HydrophobicContact CB-CE2 3.87Å; H255-F265 HydrophobicContact CB-CG 3.62Å; H255-F265 HydrophobicContact CB-CZ 4.02Å; H255-F265 AromaticContact CD2-CD1 3.73Å; H255-F265 AromaticContact CD2-CE1 3.14Å; H255-F265 WeakPolarHBondContact CD2-CE1 3.43Å; H255-F265 AromaticContact CD2-CZ 3.32Å; H255-F265 WeakPolarHBondContact CD2-CZ 3.36Å; H255-F265 AromaticContact CG-CE1 3.71Å; H255-F265 AromaticContact CG-CE2 3.82Å; H255-F265 AromaticContact CG-CZ 3.59Å; H255-F265 AromaticContact NE2-CE1 3.9Å; H255-F265 AromaticContact NE2-CZ 3.77Å; H255-F265 PolarHBondContact O-N 3.39Å; L256-F265 HydrophobicContact CD2-CB 4.09Å; F265-Q269 HydrophobicContact CB-CB 4.18Å; F265-Q269 HydrophobicContact CD1-CB 4.26Å; F265-Q269 HydrophobicContact CD2-CB 3.93Å; F265-Q269 HydrophobicContact CE2-CB 4.38Å; F265-Q269 HydrophobicContact CG-CB 3.86Å; F265-A270 HydrophobicContact CB-CB 4.47Å; F265-A270 HydrophobicContact CD2-CB 4.46Å
266T98.4Very high97.6Very high68 Ų6855.1 Ų55.142%0.41727%0.27SS..PPolyproline II helixtrans-71.3162.5162.261.40000110.4R264 E268 Q269 A270R264-T266 PolarHBondContact O-N 3.33Å; T266-E268 PolarHBondContact O-N 3.46Å; T266-Q269 PolarHBondContact O-N 3.03Å; T266-Q269 VanDerWaalsContact O-N 3.17Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.07Å; T266-Q269 PolarHBondContact OG1-N 3.32Å; T266-Q269 PolarHBondContact OG1-OE1 2.97Å; T266-A270 WeakPolarHBondContact O-CB 3.42Å; T266-A270 PolarHBondContact O-N 3.13Å
267C98.3Very high97.6Very high2 Ų258.7 Ų58.71%0.01430%0.299CS..Hα-helixtrans-57.2-35.7174.2-62.70000112.6L126 V129 K130 A270 L271L126-C267 HydrophobicContact CD2-CB 4.14Å; V129-C267 VanDerWaalsContact CG1-SG 3.57Å; K130-C267 HydrophobicContact CB-CB 3.78Å; K130-C267 HydrophobicContact CG-CB 4.39Å; C267-A270 PolarHBondContact O-N 3.45Å; C267-L271 WeakPolarHBondContact O-CB 3.19Å; C267-L271 WeakPolarHBondContact O-CD1 3.24Å; C267-L271 VanDerWaalsContact O-CG 3.23Å; C267-L271 WeakPolarHBondContact O-CG 3.4Å; C267-L271 PolarHBondContact O-N 3.06Å
268E98.3Very high97.4Very high110 Ų11060 Ų6051%0.51431%0.314SS..Hα-helixtrans-64.4-43.9177.1-177166-13500112.4T266 Q272T266-E268 PolarHBondContact O-N 3.46Å; E268-Q272 WeakPolarHBondContact O-CG 3.24Å; E268-Q272 PolarHBondContact O-N 3.01Å
269Q98.6Very high97.2Very high89 Ų8963.5 Ų63.542%0.41634%0.335SS..Hα-helixtrans-66.5-42.7175.1-70.9163.4-50.500111.6F265 T266 L271 Q272 H273F265-Q269 HydrophobicContact CB-CB 4.18Å; F265-Q269 HydrophobicContact CD1-CB 4.26Å; F265-Q269 HydrophobicContact CD2-CB 3.93Å; F265-Q269 HydrophobicContact CE2-CB 4.38Å; F265-Q269 HydrophobicContact CG-CB 3.86Å; T266-Q269 PolarHBondContact O-N 3.03Å; T266-Q269 VanDerWaalsContact O-N 3.17Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.07Å; T266-Q269 PolarHBondContact OG1-N 3.32Å; T266-Q269 PolarHBondContact OG1-OE1 2.97Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; Q269-L271 PolarHBondContact O-N 3.27Å; Q269-Q272 PolarHBondContact O-N 3.31Å; Q269-Q272 VanDerWaalsContact O-N 3.11Å; Q269-H273 PolarHBondContact O-N 3.18Å
270A98.7Very high97.3Very high0 Ų061.1 Ų61.10%033%0.329CS..Hα-helixtrans-63.2-37.8178.800000112.4L126 F252 L256 F265 T266 C267 Q272 H273L126-A270 HydrophobicContact CD1-CB 3.84Å; L126-A270 HydrophobicContact CD2-CB 3.72Å; L126-A270 HydrophobicContact CG-CB 4.47Å; F252-A270 HydrophobicContact CE2-CB 3.93Å; F252-A270 HydrophobicContact CZ-CB 4.48Å; L256-A270 HydrophobicContact CD2-CB 4.02Å; F265-A270 HydrophobicContact CB-CB 4.47Å; F265-A270 HydrophobicContact CD2-CB 4.46Å; T266-A270 WeakPolarHBondContact O-CB 3.42Å; T266-A270 PolarHBondContact O-N 3.13Å; C267-A270 PolarHBondContact O-N 3.45Å; A270-Q272 PolarHBondContact O-N 3.39Å; A270-H273 VanDerWaalsContact O-CB 3.23Å; A270-H273 WeakPolarHBondContact O-CB 3.23Å; A270-H273 PolarHBondContact O-N 2.78Å; A270-H273 VanDerWaalsContact O-N 3.14Å
271L98.7Very high97.5Very high27 Ų2758.5 Ų58.514%0.14132%0.316CS..Hα-helixtrans-63.9-24.8174.5-77.5164.6000113.1F123 L126 K130 C267 Q269 I276 A277F123-L271 HydrophobicContact CD2-CD2 3.58Å; F123-L271 HydrophobicContact CE2-CD2 3.72Å; F123-L271 HydrophobicContact CG-CD2 4.46Å; L126-L271 HydrophobicContact CB-CD1 4.5Å; L126-L271 HydrophobicContact CB-CD2 3.67Å; L126-L271 HydrophobicContact CB-CG 3.87Å; L126-L271 HydrophobicContact CD1-CD2 4.24Å; L126-L271 HydrophobicContact CD1-CG 4.33Å; K130-L271 HydrophobicContact CB-CD1 4.3Å; K130-L271 HydrophobicContact CD-CD1 3.73Å; C267-L271 WeakPolarHBondContact O-CB 3.19Å; C267-L271 WeakPolarHBondContact O-CD1 3.24Å; C267-L271 VanDerWaalsContact O-CG 3.23Å; C267-L271 WeakPolarHBondContact O-CG 3.4Å; C267-L271 PolarHBondContact O-N 3.06Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; Q269-L271 PolarHBondContact O-N 3.27Å; L271-I276 HydrophobicContact CD2-CG2 4.4Å; L271-A277 WeakPolarHBondContact O-CB 3.47Å
272Q98.6Very high97.7Very high141 Ų14160 Ų6066%0.65932%0.321SS*.THydrogen-bonded Turntrans-88.9-7.4177.2-65.31777.100113.1E268 Q269 A270E268-Q272 WeakPolarHBondContact O-CG 3.24Å; E268-Q272 PolarHBondContact O-N 3.01Å; Q269-Q272 PolarHBondContact O-N 3.31Å; Q269-Q272 VanDerWaalsContact O-N 3.11Å; A270-Q272 PolarHBondContact O-N 3.39Å
273H98.8Very high97.9Very high12 Ų1256.7 Ų56.76%0.05631%0.309CS..SBendtrans-65140.9-176.9-174.4-87.9000111.2S248 D251 F252 Q269 A270 W275 I276 A277S248-H273 PolarHBondContact O-CE1 3.07Å; S248-H273 VanDerWaalsContact O-CE1 3.26Å; D251-H273 IonicContact OD2-NE2 3.21Å; D251-H273 PolarHBondContact OD2-NE2 3.1Å; F252-H273 HydrophobicContact CD2-CB 3.82Å; F252-H273 AromaticContact CD2-CG 3.66Å; F252-H273 AromaticContact CD2-ND1 3.63Å; F252-H273 HydrophobicContact CE2-CB 4.31Å; Q269-H273 PolarHBondContact O-N 3.18Å; A270-H273 VanDerWaalsContact O-CB 3.23Å; A270-H273 WeakPolarHBondContact O-CB 3.23Å; A270-H273 PolarHBondContact O-N 2.78Å; A270-H273 VanDerWaalsContact O-N 3.14Å; H273-W275 VanDerWaalsContact ND1-CB 3.33Å; H273-W275 WeakPolarHBondContact ND1-CB 3.19Å; H273-W275 PolarHBondContact ND1-N 3.47Å; H273-W275 VanDerWaalsContact ND1-N 3.11Å; H273-W275 PolarHBondContact O-N 3.47Å; H273-W275 VanDerWaalsContact O-N 3.1Å; H273-I276 WeakPolarHBondContact O-CA 3.45Å; H273-I276 PolarHBondContact O-N 2.95Å; H273-A277 PolarHBondContact O-N 3.08Å
274P98.5Very high97.8Very high65 Ų6554.3 Ų54.342%0.42230%0.299SS..Hα-helixtrans-55.8-31.7-176.6-28.835.9000115.2I276 G278 T280P274-I276 PolarHBondContact O-N 3.49Å; P274-G278 CarbonylContact O-C 3.55Å; P274-G278 VanDerWaalsContact O-C 3.27Å; P274-G278 WeakPolarHBondContact O-CA 3.29Å; P274-G278 PolarHBondContact O-N 3.13Å; P274-T280 HydrophobicContact CB-CG2 3.9Å; P274-T280 PolarHBondContact O-OG1 3.31Å; P274-T280 VanDerWaalsContact O-OG1 3.12Å
275W98.7Very high97.7Very high1 Ų157.7 Ų57.70%0.00432%0.317CS..Hα-helixtrans-66-24.3175.7-170.472.3000113.4E115 A118 S119 I122 L212 A249 F252 H273 T280E115-W275 PolarHBondContact OE2-NE1 3.41Å; A118-W275 HydrophobicContact CB-CH2 4.18Å; A118-W275 HydrophobicContact CB-CZ2 4.2Å; S119-W275 WeakPolarHBondContact CB-O 3.34Å; S119-W275 PolarHBondContact OG-O 3.15Å; I122-W275 HydrophobicContact CB-CZ3 4.19Å; I122-W275 HydrophobicContact CG1-CH2 4.35Å; I122-W275 HydrophobicContact CG1-CZ3 4.26Å; I122-W275 HydrophobicContact CG2-CZ3 4.28Å; L212-W275 HydrophobicContact CD1-CH2 4.41Å; L212-W275 HydrophobicContact CD1-CZ2 4.04Å; L212-W275 HydrophobicContact CD2-CZ2 4.07Å; L212-W275 HydrophobicContact CG-CZ2 4.46Å; A249-W275 HydrophobicContact CB-CD2 4.25Å; A249-W275 HydrophobicContact CB-CG 4.22Å; A249-W275 HydrophobicContact CB-CZ2 4.33Å; A249-W275 VanDerWaalsContact CB-NE1 3.3Å; F252-W275 HydrophobicContact CB-CB 4.19Å; F252-W275 HydrophobicContact CB-CD2 4.5Å; F252-W275 HydrophobicContact CB-CE3 4.19Å; F252-W275 HydrophobicContact CD1-CD2 4.44Å; F252-W275 AromaticContact CD1-CE3 3.47Å; F252-W275 HydrophobicContact CD1-CE3 3.47Å; F252-W275 VanDerWaalsContact CD1-CE3 3.47Å; F252-W275 AromaticContact CD1-CZ3 3.65Å; F252-W275 HydrophobicContact CD1-CZ3 3.65Å; F252-W275 HydrophobicContact CD2-CE3 4.24Å; F252-W275 AromaticContact CE1-CE3 3.81Å; F252-W275 HydrophobicContact CE1-CE3 3.81Å; F252-W275 AromaticContact CE1-CZ3 3.66Å; F252-W275 HydrophobicContact CE1-CZ3 3.66Å; F252-W275 HydrophobicContact CG-CD2 4.46Å; F252-W275 AromaticContact CG-CE3 3.7Å; F252-W275 HydrophobicContact CG-CE3 3.7Å; F252-W275 HydrophobicContact CG-CZ3 4.35Å; F252-W275 HydrophobicContact CZ-CE3 4.31Å; F252-W275 HydrophobicContact CZ-CZ3 4.34Å; H273-W275 VanDerWaalsContact ND1-CB 3.33Å; H273-W275 WeakPolarHBondContact ND1-CB 3.19Å; H273-W275 PolarHBondContact ND1-N 3.47Å; H273-W275 VanDerWaalsContact ND1-N 3.11Å; H273-W275 PolarHBondContact O-N 3.47Å; H273-W275 VanDerWaalsContact O-N 3.1Å; W275-T280 WeakPolarHBondContact CA-OG1 3.38Å; W275-T280 PolarHBondContact N-OG1 3.42Å; W275-T280 VanDerWaalsContact N-OG1 3.15Å
276I98.6Very high97.5Very high17 Ų1756.5 Ų56.59%0.08731%0.312CS..Hα-helixtrans-100.2-53.4179.1-61.8-62.1000111.5I122 F123 L126 F252 L271 H273 P274I122-I276 HydrophobicContact CB-CD1 4.13Å; I122-I276 HydrophobicContact CG2-CD1 3.76Å; F123-I276 HydrophobicContact CB-CG2 4.09Å; F123-I276 HydrophobicContact CD2-CG2 3.71Å; F123-I276 HydrophobicContact CG-CG2 4.39Å; L126-I276 HydrophobicContact CD1-CD1 4.36Å; L126-I276 HydrophobicContact CD1-CG1 4.22Å; F252-I276 HydrophobicContact CD2-CG1 4.05Å; F252-I276 HydrophobicContact CE2-CD1 4.08Å; F252-I276 HydrophobicContact CE2-CG1 3.49Å; F252-I276 VanDerWaalsContact CE2-CG1 3.49Å; F252-I276 HydrophobicContact CZ-CD1 3.97Å; F252-I276 HydrophobicContact CZ-CG1 3.91Å; L271-I276 HydrophobicContact CD2-CG2 4.4Å; H273-I276 WeakPolarHBondContact O-CA 3.45Å; H273-I276 PolarHBondContact O-N 2.95Å; P274-I276 PolarHBondContact O-N 3.49Å
277A97Very high97.4Very high74 Ų7454.2 Ų54.261%0.61230%0.297SS*.Hα-helixtrans-94.1-12.1-173.700000114.6L271 H273L271-A277 WeakPolarHBondContact O-CB 3.47Å; H273-A277 PolarHBondContact O-N 3.08Å
278G94.8Very high97.2Very high32 Ų3260.7 Ų60.733%0.3333%0.327SS..SBendtrans-112.1-159.3-178.100000112.9P274P274-G278 CarbonylContact O-C 3.55Å; P274-G278 VanDerWaalsContact O-C 3.27Å; P274-G278 WeakPolarHBondContact O-CA 3.29Å; P274-G278 PolarHBondContact O-N 3.13Å
279D94.5Very high97Very high140 Ų14057.7 Ų57.775%0.74932%0.318SS*.SBendtrans-111.223.8-175.1-69-49.2000113.1R116R116-D279 IonicContact NH1-OD1 3.46Å
280T98.1Very high96.7Very high53 Ų5353.5 Ų53.533%0.32530%0.298SS..  trans-86.7-13.6-177.761.20000113.9S248 P274 W275S248-T280 VanDerWaalsContact CB-OG1 3.3Å; S248-T280 WeakPolarHBondContact CB-OG1 3.25Å; S248-T280 WeakPolarHBondContact OG-CB 3.43Å; S248-T280 PolarHBondContact OG-OG1 3.2Å; P274-T280 HydrophobicContact CB-CG2 3.9Å; P274-T280 PolarHBondContact O-OG1 3.31Å; P274-T280 VanDerWaalsContact O-OG1 3.12Å; W275-T280 WeakPolarHBondContact CA-OG1 3.38Å; W275-T280 PolarHBondContact N-OG1 3.42Å; W275-T280 VanDerWaalsContact N-OG1 3.15Å
281A97.9Very high96.4Very high5 Ų553.8 Ų53.84%0.04130%0.3CS..SBendtrans-71.3125.9172.400000110.6E115 R116E115-A281 HydrophobicContact CB-CB 4.3Å; R116-A281 HydrophobicContact CB-CB 4.47Å
282L97.7Very high96.2Very high71 Ų7156.3 Ų56.337%0.37231%0.312SS..  trans-79146.5-174.4-56.6179.3000113.2E115 R116 K284E115-L282 WeakPolarHBondContact CB-O 3.22Å; E115-L282 HydrophobicContact CG-CB 4.33Å; E115-L282 PolarHBondContact N-O 2.89Å; E115-L282 WeakPolarHBondContact OE1-CD1 3.48Å; R116-L282 PolarHBondContact N-O 3.01Å; L282-K284 VanDerWaalsContact C-N 3.29Å; L282-K284 HydrophobicContact CB-CB 4.5Å
283D96.9Very high95.8Very high96 Ų9650.5 Ų50.551%0.51328%0.284SS..  trans-89.610.2173-65.3-70.8000113.1T114 R116 N285T114-D283 WeakPolarHBondContact CG2-O 3.3Å; R116-D283 WeakPolarHBondContact CD-OD1 3.44Å; R116-D283 IonicContact CZ-OD1 3.98Å; R116-D283 IonicContact CZ-OD2 3.69Å; R116-D283 IonicContact NE-OD1 2.65Å; R116-D283 PolarHBondContact NE-OD1 2.98Å; R116-D283 IonicContact NE-OD2 2.74Å; R116-D283 PolarHBondContact NE-OD2 3.47Å; R116-D283 IonicContact NH2-OD1 3.84Å; R116-D283 IonicContact NH2-OD2 3.78Å; R116-D283 PolarHBondContact NH2-OD2 3.32Å; D283-N285 PolarHBondContact O-N 2.82Å
284K95.3Very high95.4Very high92 Ų9250.1 Ų50.140%0.428%0.283SS..  trans-68.1132.2178-178.3170.1173.1169.90109.6D244 L282 I286D244-K284 HydrophobicContact CB-CD 4.32Å; D244-K284 IonicContact OD1-NZ 3.24Å; D244-K284 PolarHBondContact OD1-NZ 3.13Å; D244-K284 WeakPolarHBondContact OD2-CE 3.4Å; D244-K284 IonicContact OD2-NZ 3.75Å; D244-K284 PolarHBondContact OD2-NZ 2.83Å; L282-K284 VanDerWaalsContact C-N 3.29Å; L282-K284 HydrophobicContact CB-CB 4.5Å; K284-I286 PolarHBondContact O-N 3.31Å; K284-I286 VanDerWaalsContact O-N 3.15Å
285N96.1Very high94.9Very high76 Ų7652.1 Ų52.141%0.40629%0.285SS..  trans-69.9110175.9-170.310.2000110.3F112 Y113 D283 H287F112-N285 HydrophobicContact CD2-CB 3.89Å; F112-N285 WeakPolarHBondContact CD2-ND2 3.48Å; F112-N285 HydrophobicContact CE2-CB 3.58Å; F112-N285 HydrophobicContact CZ-CB 4.25Å; Y113-N285 PolarHBondContact N-OD1 3.08Å; Y113-N285 PolarHBondContact O-OD1 3.23Å; D283-N285 PolarHBondContact O-N 2.82Å; N285-H287 WeakPolarHBondContact OD1-CB 3.41Å; N285-H287 PolarHBondContact OD1-N 2.93Å; N285-H287 VanDerWaalsContact OD1-N 3.13Å
286I96Very high94.3Very high15 Ų1558.4 Ų58.48%0.07731%0.312CS..  trans-104.82.3176.660.5174000112Y113 E115 L212 I245 K284 Q288 S289 V290Y113-I286 HydrophobicContact CD1-CD1 4.31Å; Y113-I286 HydrophobicContact CD1-CG1 4.01Å; Y113-I286 HydrophobicContact CE1-CD1 4.25Å; Y113-I286 HydrophobicContact CE1-CG1 4.45Å; Y113-I286 WeakPolarHBondContact O-CG1 3.38Å; Y113-I286 PolarHBondContact O-N 3.22Å; E115-I286 HydrophobicContact CG-CD1 4.39Å; L212-I286 HydrophobicContact CD2-CD1 4.22Å; I245-I286 HydrophobicContact CD1-CD1 3.89Å; I245-I286 HydrophobicContact CD1-CG2 4.08Å; K284-I286 PolarHBondContact O-N 3.31Å; K284-I286 VanDerWaalsContact O-N 3.15Å; I286-Q288 VanDerWaalsContact C-N 3.33Å; I286-Q288 PolarHBondContact O-N 3.24Å; I286-S289 PolarHBondContact O-N 2.73Å; I286-V290 HydrophobicContact CB-CG2 4.24Å; I286-V290 HydrophobicContact CD1-CG2 4Å; I286-V290 HydrophobicContact CG1-CG2 4.04Å; I286-V290 WeakPolarHBondContact O-CG2 3.02Å; I286-V290 PolarHBondContact O-N 3.36Å; I286-V290 VanDerWaalsContact O-N 3.13Å
287H95.8Very high93.4Very high21 Ų2160.4 Ų60.410%0.09732%0.323CS..Hα-helixtrans-51.7-44.9-172.7-179.4-102.1000114.4I107 K110 Y113 N285 S291I107-H287 PolarHBondContact O-CD2 2.79Å; I107-H287 PolarHBondContact O-NE2 3.32Å; K110-H287 PolarHBondContact O-CE1 3.22Å; K110-H287 PolarHBondContact O-NE2 3.08Å; Y113-H287 PolarHBondContact O-N 2.86Å; N285-H287 WeakPolarHBondContact OD1-CB 3.41Å; N285-H287 PolarHBondContact OD1-N 2.93Å; N285-H287 VanDerWaalsContact OD1-N 3.13Å; H287-S291 WeakPolarHBondContact O-CB 3.36Å; H287-S291 PolarHBondContact O-N 3.36Å; H287-S291 PolarHBondContact O-OG 3.06Å
288Q93.4Very high92.3Very high137 Ų13759.2 Ų59.264%0.6430%0.304SS*.Hα-helixtrans-60.7-52.7-175.6-176179.4-4.300111.3I286 S291 E292I286-Q288 VanDerWaalsContact C-N 3.33Å; I286-Q288 PolarHBondContact O-N 3.24Å; Q288-S291 PolarHBondContact O-OG 2.8Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.5Å; Q288-E292 PolarHBondContact NE2-OE1 2.81Å; Q288-E292 WeakPolarHBondContact O-CB 3.5Å; Q288-E292 VanDerWaalsContact O-CG 3.25Å; Q288-E292 WeakPolarHBondContact O-CG 3.22Å; Q288-E292 PolarHBondContact O-N 3.2Å; Q288-E292 VanDerWaalsContact O-N 3.15Å
289S93.6Very high90.7Very high47 Ų4760.7 Ų60.733%0.32931%0.314SS..Hα-helixtrans-61.9-49.2180-173.70000111.1I286 E292 Q293I286-S289 PolarHBondContact O-N 2.73Å; S289-E292 PolarHBondContact O-N 3.43Å; S289-Q293 WeakPolarHBondContact O-CG 3.44Å; S289-Q293 PolarHBondContact O-N 3.25Å; S289-Q293 VanDerWaalsContact O-N 3.1Å
290V93.8Very high88.4Confident1 Ų163.4 Ų63.41%0.00632%0.319CS..Hα-helixtrans-64.1-50.7-177.1176.20000111.6I107 Y113 L212 I286 E292 Q293 I294I107-V290 HydrophobicContact CG2-CG1 4.14Å; Y113-V290 HydrophobicContact CD1-CG1 4.48Å; Y113-V290 HydrophobicContact CE1-CG1 4.29Å; L212-V290 VanDerWaalsContact O-CG2 3.23Å; L212-V290 WeakPolarHBondContact O-CG2 2.91Å; I286-V290 HydrophobicContact CB-CG2 4.24Å; I286-V290 HydrophobicContact CD1-CG2 4Å; I286-V290 HydrophobicContact CG1-CG2 4.04Å; I286-V290 WeakPolarHBondContact O-CG2 3.02Å; I286-V290 PolarHBondContact O-N 3.36Å; I286-V290 VanDerWaalsContact O-N 3.13Å; V290-E292 VanDerWaalsContact C-N 3.33Å; V290-E292 PolarHBondContact O-N 3.17Å; V290-Q293 PolarHBondContact O-N 3.4Å; V290-I294 HydrophobicContact CG1-CD1 3.71Å; V290-I294 HydrophobicContact CG1-CG1 4.23Å; V290-I294 WeakPolarHBondContact O-CG1 3.5Å; V290-I294 PolarHBondContact O-N 3.46Å
291S92.6Very high85.9Confident6 Ų664.9 Ų64.94%0.04233%0.331CS..Hα-helixtrans-64.9-35.2-177.765.50000112.6H287 Q288 K295H287-S291 WeakPolarHBondContact O-CB 3.36Å; H287-S291 PolarHBondContact O-N 3.36Å; H287-S291 PolarHBondContact O-OG 3.06Å; Q288-S291 PolarHBondContact O-OG 2.8Å; S291-K295 WeakPolarHBondContact O-CB 3.16Å; S291-K295 VanDerWaalsContact O-CG 3.24Å; S291-K295 WeakPolarHBondContact O-CG 3.1Å; S291-K295 PolarHBondContact O-N 3.43Å
292E92.8Very high83.2Confident81 Ų8173.1 Ų73.138%0.37937%0.366SS..Hα-helixtrans-64.4-43.9173.8-77.2-179.8-158.200111.6Q288 S289 V290 K295 K296Q288-E292 WeakPolarHBondContact CG-OE1 3.5Å; Q288-E292 PolarHBondContact NE2-OE1 2.81Å; Q288-E292 WeakPolarHBondContact O-CB 3.5Å; Q288-E292 VanDerWaalsContact O-CG 3.25Å; Q288-E292 WeakPolarHBondContact O-CG 3.22Å; Q288-E292 PolarHBondContact O-N 3.2Å; Q288-E292 VanDerWaalsContact O-N 3.15Å; S289-E292 PolarHBondContact O-N 3.43Å; V290-E292 VanDerWaalsContact C-N 3.33Å; V290-E292 PolarHBondContact O-N 3.17Å; E292-K295 PolarHBondContact O-N 3.35Å; E292-K296 WeakPolarHBondContact O-CB 3.44Å; E292-K296 VanDerWaalsContact O-CG 3.26Å; E292-K296 WeakPolarHBondContact O-CG 3.39Å; E292-K296 PolarHBondContact O-N 3.21Å; E292-K296 IonicContact OE2-NZ 3.94Å
293Q91.4Very high81Confident18 Ų1873.4 Ų73.48%0.08436%0.362CS..Hα-helixtrans-68.3-40.9176.8-67.2-55.3-3300111.5C213 G214 Y215 Y241 S289 V290 K295 K296 N297C213-Q293 VanDerWaalsContact O-CB 3.29Å; C213-Q293 WeakPolarHBondContact O-CB 3.37Å; C213-Q293 WeakPolarHBondContact O-CG 3.42Å; G214-Q293 CarbonylContact O-C 3.58Å; G214-Q293 WeakPolarHBondContact O-CB 3.46Å; Y215-Q293 HydrophobicContact CD1-CG 4.48Å; Y241-Q293 HydrophobicContact CD1-CG 4.3Å; Y241-Q293 HydrophobicContact CE1-CG 4.13Å; Y241-Q293 VanDerWaalsContact CE1-NE2 3.26Å; Y241-Q293 PolarHBondContact OH-NE2 3.13Å; S289-Q293 WeakPolarHBondContact O-CG 3.44Å; S289-Q293 PolarHBondContact O-N 3.25Å; S289-Q293 VanDerWaalsContact O-N 3.1Å; V290-Q293 PolarHBondContact O-N 3.4Å; Q293-K295 VanDerWaalsContact C-N 3.32Å; Q293-K295 PolarHBondContact O-N 3.44Å; Q293-K296 PolarHBondContact O-N 3.48Å; Q293-K296 VanDerWaalsContact O-N 3.12Å; Q293-N297 WeakPolarHBondContact O-CB 3.41Å; Q293-N297 PolarHBondContact O-N 3.28Å; Q293-N297 PolarHBondContact O-ND2 3.33Å; Q293-N297 PolarHBondContact OE1-ND2 3.33Å
294I89.2Confident78.4Confident4 Ų477.7 Ų77.72%0.02138%0.376CS..Hα-helixtrans-59.2-47.6175.4-69.9176000109.7F104 I107 V108 G214 V290 K296 N297 F298F104-I294 HydrophobicContact CB-CG2 3.84Å; F104-I294 HydrophobicContact CD1-CD1 4Å; F104-I294 HydrophobicContact CG-CD1 4.46Å; F104-I294 HydrophobicContact CG-CG2 4.34Å; I107-I294 HydrophobicContact CB-CD1 4.16Å; I107-I294 HydrophobicContact CG2-CD1 3.78Å; V108-I294 HydrophobicContact CG2-CB 3.91Å; V108-I294 HydrophobicContact CG2-CG2 3.49Å; V108-I294 VanDerWaalsContact CG2-CG2 3.49Å; G214-I294 PolarHBondContact O-N 2.98Å; V290-I294 HydrophobicContact CG1-CD1 3.71Å; V290-I294 HydrophobicContact CG1-CG1 4.23Å; V290-I294 WeakPolarHBondContact O-CG1 3.5Å; V290-I294 PolarHBondContact O-N 3.46Å; I294-K296 VanDerWaalsContact C-N 3.32Å; I294-K296 PolarHBondContact O-N 2.64Å; I294-N297 PolarHBondContact O-N 3.03Å; I294-F298 HydrophobicContact CB-CD2 4.43Å; I294-F298 HydrophobicContact CG2-CB 4.39Å; I294-F298 HydrophobicContact CG2-CD2 4.19Å; I294-F298 WeakPolarHBondContact O-CA 3.21Å; I294-F298 VanDerWaalsContact O-CB 3.25Å; I294-F298 WeakPolarHBondContact O-CB 3.46Å; I294-F298 WeakPolarHBondContact O-CD2 3.16Å; I294-F298 PolarHBondContact O-N 3.2Å
295K88Confident75.7Confident107 Ų10780.7 Ų80.747%0.46539%0.391SS..Hα-helixtrans-59.3-41.3176-73.9169.1-172.6170.50112.2V108 S291 E292 Q293 A299V108-K295 HydrophobicContact CG1-CD 4.35Å; V108-K295 HydrophobicContact CG1-CG 4.15Å; V108-K295 HydrophobicContact CG2-CG 3.96Å; S291-K295 WeakPolarHBondContact O-CB 3.16Å; S291-K295 VanDerWaalsContact O-CG 3.24Å; S291-K295 WeakPolarHBondContact O-CG 3.1Å; S291-K295 PolarHBondContact O-N 3.43Å; E292-K295 PolarHBondContact O-N 3.35Å; Q293-K295 VanDerWaalsContact C-N 3.32Å; Q293-K295 PolarHBondContact O-N 3.44Å; K295-A299 WeakPolarHBondContact O-CB 3.25Å; K295-A299 PolarHBondContact O-N 3.32Å; K295-A299 VanDerWaalsContact O-N 3.09Å
296K86.8Confident72.9Confident133 Ų13381.8 Ų81.858%0.57841%0.411SS*.Hα-helixtrans-69.3-43.7-179.3-74.6168.7-171165.90112.7E292 Q293 I294E292-K296 WeakPolarHBondContact O-CB 3.44Å; E292-K296 VanDerWaalsContact O-CG 3.26Å; E292-K296 WeakPolarHBondContact O-CG 3.39Å; E292-K296 PolarHBondContact O-N 3.21Å; E292-K296 IonicContact OE2-NZ 3.94Å; Q293-K296 PolarHBondContact O-N 3.48Å; Q293-K296 VanDerWaalsContact O-N 3.12Å; I294-K296 VanDerWaalsContact C-N 3.32Å; I294-K296 PolarHBondContact O-N 2.64Å
297N79.8Confident70.7Confident60 Ų6083.5 Ų83.532%0.32142%0.418SS..Hα-helixtrans-86.9-28.4-172.8-65.9-66.6000112.6G214 Y215 Q293 I294G214-N297 PolarHBondContact O-ND2 2.93Å; Y215-N297 WeakPolarHBondContact CB-ND2 3.3Å; Q293-N297 WeakPolarHBondContact O-CB 3.41Å; Q293-N297 PolarHBondContact O-N 3.28Å; Q293-N297 PolarHBondContact O-ND2 3.33Å; Q293-N297 PolarHBondContact OE1-ND2 3.33Å; I294-N297 PolarHBondContact O-N 3.03Å
298F73.8Confident68Low48 Ų4887.8 Ų87.821%0.21144%0.442CS..Hα-helixtrans-117.35.7-173.4-56.7-93.3000113.9F104 I210 I294 K300F104-F298 HydrophobicContact CD2-CD1 4.09Å; F104-F298 HydrophobicContact CD2-CE1 4.19Å; F104-F298 HydrophobicContact CD2-CG 4.32Å; F104-F298 HydrophobicContact CE2-CD1 4.09Å; F104-F298 AromaticContact CE2-CE1 3.72Å; F104-F298 HydrophobicContact CE2-CE1 3.72Å; F104-F298 HydrophobicContact CE2-CE2 4.42Å; F104-F298 AromaticContact CE2-CZ 3.91Å; F104-F298 HydrophobicContact CE2-CZ 3.91Å; I210-F298 HydrophobicContact CD1-CZ 4.34Å; I210-F298 HydrophobicContact CG2-CE2 3.86Å; I210-F298 HydrophobicContact CG2-CZ 3.76Å; I294-F298 HydrophobicContact CB-CD2 4.43Å; I294-F298 HydrophobicContact CG2-CB 4.39Å; I294-F298 HydrophobicContact CG2-CD2 4.19Å; I294-F298 WeakPolarHBondContact O-CA 3.21Å; I294-F298 VanDerWaalsContact O-CB 3.25Å; I294-F298 WeakPolarHBondContact O-CB 3.46Å; I294-F298 WeakPolarHBondContact O-CD2 3.16Å; I294-F298 PolarHBondContact O-N 3.2Å; F298-K300 PolarHBondContact O-N 3.33Å
299A60.2Low65.2Low64 Ų6483.1 Ų83.153%0.52943%0.427SS..SBendtrans-58.4115.9170.600000111.4K295 S301K295-A299 WeakPolarHBondContact O-CB 3.25Å; K295-A299 PolarHBondContact O-N 3.32Å; K295-A299 VanDerWaalsContact O-N 3.09Å; A299-S301 PolarHBondContact O-N 2.86Å
300K46.8Very low62.4Low197 Ų19786 Ų8686%0.85744%0.443SS*.THydrogen-bonded Turntrans2.994.8167.1-70.2179.9178.1177.40114.1F298F298-K300 PolarHBondContact O-N 3.33Å
301S46Very low60Low83 Ų8388.6 Ų88.658%0.5846%0.464SS*.THydrogen-bonded Turntrans121.2-20.1152.368.90000118.9A299 W303 K304A299-S301 PolarHBondContact O-N 2.86Å; S301-W303 VanDerWaalsContact C-N 3.3Å; S301-W303 PolarHBondContact O-N 3.43Å; S301-K304 PolarHBondContact O-N 2.99Å
302K41.8Very low57.8Low178 Ų17888.5 Ų88.577%0.77446%0.463SS*.THydrogen-bonded Turntrans-69.6-26.1-177.8-80.3-166.5175-173.10114.8
303W50.5Low55.6Low77 Ų7786.3 Ų86.329%0.29246%0.455SS..THydrogen-bonded Turntrans-104-1-177-157.286.6000113.7E145 T181 Y184 S301 Q305E145-W303 WeakPolarHBondContact OE1-CH2 3.25Å; E145-W303 WeakPolarHBondContact OE1-CZ3 3.22Å; T181-W303 HydrophobicContact CG2-CD2 4.24Å; T181-W303 HydrophobicContact CG2-CE3 4.02Å; T181-W303 HydrophobicContact CG2-CH2 3.01Å; T181-W303 HydrophobicContact CG2-CZ2 3.14Å; T181-W303 HydrophobicContact CG2-CZ3 3.35Å; Y184-W303 HydrophobicContact CD2-CH2 4.36Å; Y184-W303 HydrophobicContact CD2-CZ2 4.39Å; Y184-W303 AromaticContact CE2-CH2 3.25Å; Y184-W303 HydrophobicContact CE2-CH2 3.25Å; Y184-W303 AromaticContact CE2-CZ2 3.27Å; Y184-W303 HydrophobicContact CE2-CZ2 3.27Å; Y184-W303 AromaticContact CZ-CH2 3.74Å; Y184-W303 AromaticContact CZ-CZ2 3.72Å; Y184-W303 WeakPolarHBondContact OH-CH2 3.37Å; Y184-W303 VanDerWaalsContact OH-CZ2 3.32Å; Y184-W303 WeakPolarHBondContact OH-CZ2 3.3Å; S301-W303 VanDerWaalsContact C-N 3.3Å; S301-W303 PolarHBondContact O-N 3.43Å; W303-Q305 VanDerWaalsContact C-N 3.25Å; W303-Q305 PolarHBondContact O-N 3.14Å
304K42.9Very low53.5Low186 Ų18695.5 Ų95.581%0.80949%0.489SS*.  trans-83.58.6172.5-70-169.9176.9-172.40113.3S301 A306S301-K304 PolarHBondContact O-N 2.99Å; K304-A306 PolarHBondContact O-N 3.45Å
305Q38.6Very low51.8Low155 Ų15598.5 Ų98.572%0.72450%0.503SS*.  trans-75112-176.7-69.4-170.65.800110.4W303W303-Q305 VanDerWaalsContact C-N 3.25Å; W303-Q305 PolarHBondContact O-N 3.14Å
306A38Very low50.2Low100 Ų10094.2 Ų94.283%0.82649%0.485SS*.  trans-64.1130.9175.300000111.1K304K304-A306 PolarHBondContact O-N 3.45Å
307F48.2Very low48.6Very low51 Ų5196 Ų9622%0.22449%0.488CS..  trans-86150.3-177.1-158.3-70.1000112.6C179 D223 F227 A309 V312C179-F307 HydrophobicContact CB-CB 3.83Å; C179-F307 HydrophobicContact CB-CD1 4.46Å; C179-F307 HydrophobicContact CB-CG 4.34Å; C179-F307 WeakPolarHBondContact O-CB 3.37Å; C179-F307 PolarHBondContact O-N 2.73Å; D223-F307 HydrophobicContact CB-CE2 3.62Å; D223-F307 HydrophobicContact CB-CZ 3.71Å; D223-F307 WeakPolarHBondContact OD1-CE2 3.38Å; D223-F307 WeakPolarHBondContact OD2-CE2 3.49Å; D223-F307 WeakPolarHBondContact OD2-CZ 3.26Å; F227-F307 HydrophobicContact CE2-CE2 4.34Å; F227-F307 HydrophobicContact CE2-CZ 4.24Å; F227-F307 HydrophobicContact CZ-CE2 4.45Å; F307-A309 PolarHBondContact O-N 2.87Å; F307-V312 HydrophobicContact CD1-CG2 3.32Å; F307-V312 HydrophobicContact CE1-CB 4.24Å; F307-V312 HydrophobicContact CE1-CG2 2.88Å; F307-V312 HydrophobicContact CE2-CG2 4.23Å; F307-V312 HydrophobicContact CG-CG2 4.28Å; F307-V312 HydrophobicContact CZ-CG2 3.39Å
308N40.2Very low47.5Very low110 Ų110100.5 Ų100.559%0.58851%0.505SS*.  trans-8697.4170.1-171-19.9000111.9T310 A311N308-T310 PolarHBondContact O-N 2.65Å; N308-T310 PolarHBondContact OD1-N 2.95Å; N308-T310 PolarHBondContact OD1-OG1 3.31Å; N308-A311 PolarHBondContact O-N 3.03Å
309A34.9Very low46.4Very low39 Ų39101 Ų10132%0.32251%0.509SS..Hα-helixtrans-53.5-25.1-174.900000115.7C179 F307 A311 V313C179-A309 HydrophobicContact CB-CB 4.38Å; C179-A309 WeakPolarHBondContact SG-CA 3.34Å; C179-A309 VanDerWaalsContact SG-CB 3.57Å; F307-A309 PolarHBondContact O-N 2.87Å; A309-A311 PolarHBondContact O-N 2.9Å; A309-V313 WeakPolarHBondContact O-CG2 3.49Å; A309-V313 PolarHBondContact O-N 3.39Å
310T34.8Very low45.8Very low109 Ų109102.2 Ų102.267%0.66950%0.504SS*.Hα-helixtrans-70.7-31.7-179.7-45.40000112.4N308 R314N308-T310 PolarHBondContact O-N 2.65Å; N308-T310 PolarHBondContact OD1-N 2.95Å; N308-T310 PolarHBondContact OD1-OG1 3.31Å; T310-R314 PolarHBondContact O-N 2.65Å
311A43.3Very low45.7Very low55 Ų5598.9 Ų98.946%0.45550%0.495SS..Hα-helixtrans-73-39.6179.200000111.8N308 A309 R314 H315N308-A311 PolarHBondContact O-N 3.03Å; A309-A311 PolarHBondContact O-N 2.9Å; A311-R314 PolarHBondContact O-N 3.1Å; A311-H315 WeakPolarHBondContact O-CB 3.49Å; A311-H315 PolarHBondContact O-N 3.15Å; A311-H315 VanDerWaalsContact O-N 3.1Å
312V46.7Very low45.4Very low3 Ų397.5 Ų97.52%0.01849%0.494CS..Hα-helixtrans-59.5-51.2176.6-1730000111.1F227 F307 R314 H315 M316F227-V312 HydrophobicContact CE2-CG1 3.88Å; F227-V312 HydrophobicContact CE2-CG2 4.13Å; F227-V312 HydrophobicContact CZ-CG1 3.88Å; F227-V312 HydrophobicContact CZ-CG2 4.18Å; F307-V312 HydrophobicContact CD1-CG2 3.32Å; F307-V312 HydrophobicContact CE1-CB 4.24Å; F307-V312 HydrophobicContact CE1-CG2 2.88Å; F307-V312 HydrophobicContact CE2-CG2 4.23Å; F307-V312 HydrophobicContact CG-CG2 4.28Å; F307-V312 HydrophobicContact CZ-CG2 3.39Å; V312-R314 VanDerWaalsContact C-N 3.29Å; V312-R314 PolarHBondContact O-N 2.74Å; V312-H315 PolarHBondContact O-N 3.38Å; V312-H315 VanDerWaalsContact O-N 3.07Å; V312-M316 HydrophobicContact CG1-CE 3.47Å; V312-M316 VanDerWaalsContact CG1-CE 3.47Å; V312-M316 HydrophobicContact CG1-CG 3.9Å; V312-M316 HydrophobicContact CG1-SD 3.61Å; V312-M316 WeakPolarHBondContact O-CB 3.2Å; V312-M316 WeakPolarHBondContact O-CG 3.41Å; V312-M316 PolarHBondContact O-N 3.4Å
313V45.1Very low45.2Very low36 Ų3694.9 Ų94.922%0.21849%0.493CS..Hα-helixtrans-59.7-42.1-176.1174.70000111.4L175 A309 H315 R317L175-V313 HydrophobicContact CD1-CG2 3.49Å; L175-V313 VanDerWaalsContact CD1-CG2 3.49Å; L175-V313 HydrophobicContact CD2-CG2 3.56Å; L175-V313 HydrophobicContact CG-CG2 4.08Å; A309-V313 WeakPolarHBondContact O-CG2 3.49Å; A309-V313 PolarHBondContact O-N 3.39Å; V313-H315 VanDerWaalsContact C-N 3.32Å; V313-R317 WeakPolarHBondContact O-CG 3.26Å; V313-R317 PolarHBondContact O-N 3.35Å
314R47.6Very low44.5Very low210 Ų21096.1 Ų96.179%0.79251%0.514SS*.Hα-helixtrans-67.2-36.1178.7-168.9176.5-178.5178.50.5111.6T310 A311 V312 K318T310-R314 PolarHBondContact O-N 2.65Å; A311-R314 PolarHBondContact O-N 3.1Å; V312-R314 VanDerWaalsContact C-N 3.29Å; V312-R314 PolarHBondContact O-N 2.74Å; R314-K318 PolarHBondContact O-N 3.49Å
315H54.7Low44.2Very low68 Ų6895.7 Ų95.732%0.31551%0.514SS..Hα-helixtrans-75.7-43.6178.9-163.484.4000112.5A224 A311 V312 V313 R317 K318 L319A224-H315 VanDerWaalsContact CB-CE1 3.46Å; A224-H315 WeakPolarHBondContact CB-CE1 3.35Å; A224-H315 WeakPolarHBondContact CB-NE2 3.34Å; A311-H315 WeakPolarHBondContact O-CB 3.49Å; A311-H315 PolarHBondContact O-N 3.15Å; A311-H315 VanDerWaalsContact O-N 3.1Å; V312-H315 PolarHBondContact O-N 3.38Å; V312-H315 VanDerWaalsContact O-N 3.07Å; V313-H315 VanDerWaalsContact C-N 3.32Å; H315-R317 VanDerWaalsContact C-N 3.34Å; H315-R317 PolarHBondContact O-N 3.44Å; H315-K318 WeakPolarHBondContact O-CA 3.39Å; H315-K318 VanDerWaalsContact O-CB 3.28Å; H315-K318 WeakPolarHBondContact O-CB 2.95Å; H315-K318 PolarHBondContact O-N 2.62Å; H315-L319 PolarHBondContact O-N 3.12Å
316M52.8Low44Very low17 Ų1797.7 Ų97.78%0.08452%0.524CS..Hα-helixtrans-58-43.2176.1-76.4-177.5166.200112.2L175 L190 F227 V312 K318 L319 Q320L175-M316 HydrophobicContact CD2-SD 4.27Å; L190-M316 HydrophobicContact CB-CE 4.24Å; L190-M316 HydrophobicContact CD2-CE 3.85Å; F227-M316 HydrophobicContact CD1-CE 4.31Å; F227-M316 HydrophobicContact CE1-CE 4.25Å; V312-M316 HydrophobicContact CG1-CE 3.47Å; V312-M316 VanDerWaalsContact CG1-CE 3.47Å; V312-M316 HydrophobicContact CG1-CG 3.9Å; V312-M316 HydrophobicContact CG1-SD 3.61Å; V312-M316 WeakPolarHBondContact O-CB 3.2Å; V312-M316 WeakPolarHBondContact O-CG 3.41Å; V312-M316 PolarHBondContact O-N 3.4Å; M316-K318 PolarHBondContact O-N 3.1Å; M316-L319 PolarHBondContact O-N 2.97Å; M316-Q320 PolarHBondContact O-N 2.84Å
317R54.5Low43.8Very low170 Ų17096 Ų9664%0.64252%0.516SS*.Hα-helixtrans-59.4-36.2173.2-76.6-178.4179.4178.61.4112.1V313 H315 L321V313-R317 WeakPolarHBondContact O-CG 3.26Å; V313-R317 PolarHBondContact O-N 3.35Å; H315-R317 VanDerWaalsContact C-N 3.34Å; H315-R317 PolarHBondContact O-N 3.44Å; R317-L321 WeakPolarHBondContact O-CB 3.42Å; R317-L321 VanDerWaalsContact O-CD1 3.25Å; R317-L321 WeakPolarHBondContact O-CD1 3.5Å; R317-L321 WeakPolarHBondContact O-CG 3.35Å; R317-L321 PolarHBondContact O-N 3.09Å; R317-L321 VanDerWaalsContact O-N 3.08Å
318K56.2Low43Very low154 Ų154103.3 Ų103.367%0.6755%0.551SS**Hα-helixtrans-70.9-38.7179.3-164.2-179.6178-173.50112.2R314 H315 M316 L321 G322R314-K318 PolarHBondContact O-N 3.49Å; H315-K318 WeakPolarHBondContact O-CA 3.39Å; H315-K318 VanDerWaalsContact O-CB 3.28Å; H315-K318 WeakPolarHBondContact O-CB 2.95Å; H315-K318 PolarHBondContact O-N 2.62Å; M316-K318 PolarHBondContact O-N 3.1Å; K318-L321 PolarHBondContact O-N 3.33Å; K318-G322 PolarHBondContact O-N 2.79Å; K318-G322 VanDerWaalsContact O-N 3.15Å
319L49.8Very low42.5Very low58 Ų58101.8 Ų101.830%0.30456%0.561SS.*Hα-helixtrans-67.6-37.6175.6-69.6172.7000112.5H315 M316 G322 T323H315-L319 PolarHBondContact O-N 3.12Å; M316-L319 PolarHBondContact O-N 2.97Å; L319-G322 PolarHBondContact O-N 2.82Å; L319-T323 PolarHBondContact O-OG1 3.08Å
320Q48.7Very low42.3Very low91 Ų91109.2 Ų109.243%0.42559%0.589SS.*Hα-helixtrans-69.8-32.6174.3-71.2179.5-18.700112.9A191 M316 T323A191-Q320 PolarHBondContact O-NE2 3.19Å; M316-Q320 PolarHBondContact O-N 2.84Å; Q320-T323 PolarHBondContact O-OG1 3.31Å; Q320-T323 VanDerWaalsContact O-OG1 3.13Å
321L43.5Very low41.9Very low126 Ų126110.9 Ų110.966%0.6660%0.599SS**Hα-helixtrans-72.7-28.4175.7-76.3160.7000112.8R317 K318R317-L321 WeakPolarHBondContact O-CB 3.42Å; R317-L321 VanDerWaalsContact O-CD1 3.25Å; R317-L321 WeakPolarHBondContact O-CD1 3.5Å; R317-L321 WeakPolarHBondContact O-CG 3.35Å; R317-L321 PolarHBondContact O-N 3.09Å; R317-L321 VanDerWaalsContact O-N 3.08Å; K318-L321 PolarHBondContact O-N 3.33Å
322G40.2Very low41.3Very low55 Ų55113.2 Ų113.257%0.56762%0.619SS**Hα-helixtrans-72.3-23.8178.700000114.6K318 L319 S324K318-G322 PolarHBondContact O-N 2.79Å; K318-G322 VanDerWaalsContact O-N 3.15Å; L319-G322 PolarHBondContact O-N 2.82Å; G322-S324 VanDerWaalsContact C-N 3.34Å
323T38.4Very low40.3Very low122 Ų122118.5 Ų118.575%0.74866%0.656SS**THydrogen-bonded Turntrans-85.4-3.8-179.429.10000113.9L319 Q320L319-T323 PolarHBondContact O-OG1 3.08Å; Q320-T323 PolarHBondContact O-OG1 3.31Å; Q320-T323 VanDerWaalsContact O-OG1 3.13Å
324S35.6Very low39.6Very low104 Ų104126.6 Ų126.673%0.72769%0.691SS**THydrogen-bonded Turntrans-100.77.7-178.4-61.30000114.8G322G322-S324 VanDerWaalsContact C-N 3.34Å
325Q35.6Very low38.6Very low176 Ų176120.3 Ų120.382%0.82269%0.692SS**SBendtrans-123.58.9-174.1-99.3-173-9.600117.1
326E35.3Very low37.3Very low198 Ų198125.9 Ų125.993%0.92572%0.718SS**SBendtrans-108.184.3169.9-73-170.5158.100110.7
327G34.2Very low36.1Very low65 Ų65132 Ų13267%0.6775%0.75SS**  trans168.560.2175.700000115.2
328Q30.6Very low34.8Very low204 Ų204131.4 Ų131.495%0.95376%0.759SS**  trans-161.7120.5144.5-108.8158.657.300111.3
329G29.3Very low33.4Very low77 Ų77130 Ų13079%0.79476%0.763SS**  trans-72.8165.5-17400000114.6
330Q31.2Very low33Very low196 Ų196132.8 Ų132.892%0.91679%0.785SS**  trans-42.9130.8173.6-63.1162.7-3.400114.2
331T27.8Very low32.1Very low144 Ų144135.4 Ų135.488%0.88381%0.806SS**  trans-143.2123.7139.147.90000109.2
332A29.8Very low31.5Very low104 Ų104134.1 Ų134.186%0.8681%0.814SS**  trans-85.8145.9178.700000112
333S26.3Very low30.9Very low113 Ų113135.2 Ų135.279%0.7983%0.826SS**  trans-166.1119.7140.367.80000113.1
334H29.3Very low30.3Very low206 Ų206133 Ų13395%0.95483%0.827SS**  trans25.2135.7143.6-78.9-79.3000123.5
335G27.3Very low30.8Very low79 Ų79134.3 Ų134.381%0.81483%0.833SS**  trans166.7117.3151.200000114.9
336E27.9Very low30.5Very low185 Ų185129.9 Ų129.986%0.86483%0.826SS**  trans-65.2149.4-168.8-85.7163.1116.200120.6
337L25.8Very low30.1Very low146 Ų146127.4 Ų127.476%0.76483%0.825SS**  56.7119.3129-14382.5000121.7
338L27.2Very low29.8Very low156 Ų156127.8 Ų127.882%0.81783%0.828SS**  171.3152.5112.7-86.5165.7000113.3
339T27.8Very low29.6Very low126 Ų126123.4 Ų123.477%0.77382%0.819SS**  trans-76174.9-166.737.10000116.7
340P41.8Very low29.7Very low116 Ų116126.1 Ų126.175%0.75382%0.824SS**  trans-100.1163.8-149.140-34.2000114.6
341V29.6Very low29.5Very low145 Ų145121.9 Ų121.988%0.87982%0.815SS**  trans-140.5128.8165.6-176.70000111
342A30.1Very low29.7Very low100 Ų100125.5 Ų125.583%0.82681%0.813SS**  trans-81148.2171.300000111.7
343G27.9Very low29.8Very low78 Ų78126.2 Ų126.280%0.80480%0.802SS**  trans-169.5112.9168.900000110.6
344G27.1Very low30.1Very low75 Ų75126.2 Ų126.277%0.77380%0.801SS**  trans-79.4-146.4177.200000113.6
345P45.7Very low30.2Very low132 Ų132122.3 Ų122.386%0.85780%0.796SS**  -125.4-177.2-100.236.4-22.7000114.4
346A28.4Very low30.5Very low82 Ų82125.1 Ų125.168%0.67880%0.797SS**  trans100125.3157.300000117.7
347T27.2Very low30.8Very low147 Ų147124.7 Ų124.790%0.90279%0.794SS**  156.3149.5103.344.90000112.7
348G28Very low31.3Very low72 Ų72123.3 Ų123.374%0.74279%0.794SS**  trans110.984.1167.600000112.6
349C26.3Very low31.7Very low112 Ų112119.3 Ų119.376%0.75779%0.79SS**  57.597.256.1-154.90000113.6
350C31.1Very low32.4Very low134 Ų134119.4 Ų119.491%0.90579%0.793SS**  -158.6138.7124.1-100.50000111.1
351C28.1Very low32.1Very low107 Ų107123.1 Ų123.172%0.72380%0.801SS**  trans-88.3-179.1-164.4-60.50000114.1
352R32.2Very low32.4Very low221 Ų221124.6 Ų124.683%0.83480%0.803SS**  trans91.2132.7152-69.5-176.3153.3-161.6-8.2115.6
353D31Very low32.7Very low118 Ų118125 Ų12563%0.63180%0.799SS**  cis-166.3157.211.5-106.6-28.3000109.6
354C32.1Very low33.3Very low114 Ų114127.3 Ų127.377%0.7780%0.8SS**  trans8098.6150.2-64.90000122.2
355C31Very low33.8Very low124 Ų124130.6 Ų130.684%0.83881%0.805SS**  trans-11.3144.8137.5-48.80000118.8
356V34.8Very low33.6Very low138 Ų138132.2 Ų132.284%0.83681%0.806SS**  -175.5132.595.5162.60000110.5
357E34.7Very low34.6Very low175 Ų175133.3 Ų133.382%0.81881%0.806SS**  trans-12.1148.6168.1-59.1-84.8124.800122.7
358P36.3Very low34.9Very low118 Ų118135.2 Ų135.277%0.76680%0.804SS**PPolyproline II helixtrans-89.9137167.234.7-28.7000113.2
359G35.3Very low35.6Very low71 Ų71140.1 Ų140.173%0.73281%0.808SS**PPolyproline II helixtrans-83.6161.7172.800000113.8
360P42.1Very low36Very low129 Ų129146.5 Ų146.584%0.83883%0.833SS**PPolyproline II helixtrans-90.7157.9-155.335.2-34.9000115.7
361E34.8Very low36.3Very low194 Ų194147.1 Ų147.191%0.90783%0.83SS**PPolyproline II helixtrans-58.6141.8175-63.8173.6135.800113.7
362L36.5Very low36.7Very low176 Ų176149.2 Ų149.292%0.92184%0.835SS**  trans-124.2117.6162.1-83.6163.3000108.9
363S35.5Very low37Very low108 Ų108145.2 Ų145.276%0.75584%0.835SS**  trans-89.7162.617238.70000111.3
364P42.2Very low37.3Very low127 Ų127146.8 Ų146.883%0.82585%0.847SS**  trans-94.2150.5-154.635.8-32.9000113.7
365T36.4Very low37.6Very low143 Ų143148.9 Ų148.988%0.87785%0.852SS**  trans-124.3117.316742.90000111
366L41.7Very low38.1Very low167 Ų167150.5 Ų150.587%0.87485%0.853SS**  trans-110.5169.7150.8-89.1162.3000106.2
367P48.9Very low38.3Very low104 Ų104151.4 Ų151.468%0.67585%0.854SS**  cis-132.7174.63.836-17.4000113.9
368H34.5Very low38.6Very low187 Ų187149.6 Ų149.687%0.86686%0.857SS**  trans-162.6143.7135.6-108.8-71.2000112.8
369Q41.3Very low38.8Very low175 Ų175152.3 Ų152.382%0.81887%0.865SS**  trans-68.6146.2-179-62169.6-31.600113.7
370L36.3Very low39.1Very low246 Ų246159.6 Ų159.6100%1.28888%0.877SS**  -166.90113.2-102.4164.2000110.3

Retrieved 370 of 370 residues in 146.9 ms (Link to these results)

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