A0A096NL07_PAPAN Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A096NL07, Species PAPAN (Papio anubis, Olive baboon), Gene MAPK12, Length 367 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
1M40.8Very low70.5Confident242 Ų24298.7 Ų98.7100%1.19262%0.622SS**  0112.80-70.5176.4179.400106.5
2S47.4Very low72.6Confident120 Ų12095.5 Ų95.584%0.83959%0.589SS**PPolyproline II helixtrans-67.5133.9177.838.40000109.5
3S55.8Low74.2Confident109 Ų10994.6 Ų94.676%0.76257%0.568SS**PPolyproline II helixtrans-56.5139.2170.3-55.80000109.3
4P63Low75.6Confident98 Ų9892.9 Ų92.964%0.63655%0.552SS**PPolyproline II helixtrans-58.9145.6178.223-31.2000110
5P68.1Low76.8Confident89 Ų8996.3 Ų96.358%0.57856%0.56SS**PPolyproline II helixtrans-57.1147.6179.321.2-30.5000110.4R13P5-R13 PolarHBondContact O-NH1 3.16Å
6P70.5Confident77.6Confident120 Ų12090.8 Ų90.878%0.77953%0.528SS*.PPolyproline II helixtrans-57149.6178.424-32.6000110.9
7A76Confident78Confident39 Ų3990.4 Ų90.432%0.32253%0.527SS..PPolyproline II helixtrans-64.2146.9175.500000110.4R13 E22A7-R13 HydrophobicContact CB-CB 4.28Å; A7-E22 WeakPolarHBondContact CA-OE1 3.26Å
8R82.4Confident78.4Confident71 Ų7196.1 Ų96.127%0.26854%0.544SS..PPolyproline II helixtrans-69.2157.7178.6-66.4174.1-178.1129.8-9.8111.4G10 F11 E22 P95 D96R8-G10 PolarHBondContact O-N 2.95Å; R8-F11 HydrophobicContact CB-CD2 4.49Å; R8-F11 WeakPolarHBondContact O-CB 3.49Å; R8-F11 PolarHBondContact O-N 2.91Å; R8-E22 PolarHBondContact N-OE1 2.87Å; R8-P95 WeakPolarHBondContact CD-O 3.39Å; R8-P95 PolarHBondContact NE-O 2.84Å; R8-P95 PolarHBondContact NH1-O 3.22Å; R8-D96 IonicContact CZ-OD1 3.22Å; R8-D96 VanDerWaalsContact CZ-OD1 3.22Å; R8-D96 IonicContact NH1-OD1 2.68Å; R8-D96 PolarHBondContact NH1-OD1 2.96Å; R8-D96 IonicContact NH2-OD1 2.89Å; R8-D96 PolarHBondContact NH2-OD1 3.36Å
9S84.4Confident78.9Confident118 Ų11892.6 Ų92.683%0.82553%0.525SS*.THydrogen-bonded Turntrans-56.5129.1-177.1-172.40000111.7F11S9-F11 VanDerWaalsContact C-N 3.29Å; S9-F11 WeakPolarHBondContact O-CD2 3.5Å; S9-F11 PolarHBondContact O-N 2.94Å
10G91.4Very high79.6Confident48 Ų4890.7 Ų90.750%0.49552%0.521SS..THydrogen-bonded Turntrans82.3-0.3-17600000115.2R8 R24 A25R8-G10 PolarHBondContact O-N 2.95Å; G10-R24 WeakPolarHBondContact O-CA 3.41Å; G10-A25 PolarHBondContact O-N 2.68Å
11F96.1Very high80.3Confident32 Ų3286.4 Ų86.414%0.1450%0.496CS..EExtended strand (participates in β ladder)trans-117.8159.3174.8-66.2-100.3000111R8 S9 E22 V23 R24 F93 T94 P95R8-F11 HydrophobicContact CB-CD2 4.49Å; R8-F11 WeakPolarHBondContact O-CB 3.49Å; R8-F11 PolarHBondContact O-N 2.91Å; S9-F11 VanDerWaalsContact C-N 3.29Å; S9-F11 WeakPolarHBondContact O-CD2 3.5Å; S9-F11 PolarHBondContact O-N 2.94Å; F11-E22 HydrophobicContact CB-CG 3.91Å; F11-E22 HydrophobicContact CD1-CG 4.4Å; F11-E22 HydrophobicContact CG-CG 4.45Å; F11-V23 CarbonylContact C-O 3.58Å; F11-V23 VanDerWaalsContact CA-O 3.26Å; F11-V23 WeakPolarHBondContact CA-O 3.08Å; F11-R24 HydrophobicContact CD1-CG 4.27Å; F11-R24 HydrophobicContact CE1-CB 4.47Å; F11-R24 HydrophobicContact CE1-CG 3.64Å; F11-R24 HydrophobicContact CZ-CG 3.89Å; F11-F93 AromaticContact CE1-CD2 3.67Å; F11-F93 HydrophobicContact CE1-CD2 3.67Å; F11-F93 HydrophobicContact CE1-CE2 4.02Å; F11-F93 HydrophobicContact CZ-CD2 4.41Å; F11-T94 WeakPolarHBondContact CZ-O 3.41Å; F11-P95 HydrophobicContact CD1-CB 3.93Å; F11-P95 HydrophobicContact CE1-CB 3.99Å; F11-P95 HydrophobicContact CG-CB 4.29Å; F11-P95 HydrophobicContact CZ-CB 4.38Å
12Y95.4Very high82.9Confident60 Ų6075.5 Ų75.524%0.23544%0.442CS..EExtended strand (participates in β ladder)trans-131.7154.5165.372.6-79.9000109.5Q14 E22 V23 Y27 L30Y12-Q14 HydrophobicContact CD2-CB 4.44Å; Y12-Q14 HydrophobicContact CE2-CB 4.15Å; Y12-E22 WeakPolarHBondContact O-CA 3.46Å; Y12-V23 WeakPolarHBondContact CD1-O 3.11Å; Y12-V23 HydrophobicContact CE1-CB 4.39Å; Y12-V23 PolarHBondContact N-O 3.3Å; Y12-V23 PolarHBondContact O-N 3.14Å; Y12-Y27 WeakPolarHBondContact CE1-O 3.2Å; Y12-Y27 PolarHBondContact OH-O 3.16Å; Y12-L30 VanDerWaalsContact OH-CD1 3.28Å; Y12-L30 WeakPolarHBondContact OH-CD1 3.19Å
13R93.9Very high85.3Confident84 Ų8469.8 Ų69.832%0.31740%0.403SS..EExtended strand (participates in β ladder)trans-107.7133.9179.7-167.4176.4-70.8155.14.1110.7P5 A7 W21 E22P5-R13 PolarHBondContact O-NH1 3.16Å; A7-R13 HydrophobicContact CB-CB 4.28Å; R13-W21 CarbonylContact C-O 3.58Å; R13-W21 VanDerWaalsContact CA-O 3.24Å; R13-W21 WeakPolarHBondContact CA-O 3.45Å; R13-W21 WeakPolarHBondContact CG-O 3.47Å; R13-E22 IonicContact CZ-OE2 3.42Å; R13-E22 IonicContact NE-OE2 3.28Å; R13-E22 PolarHBondContact NE-OE2 3.08Å; R13-E22 IonicContact NH2-OE1 3.92Å; R13-E22 IonicContact NH2-OE2 2.72Å; R13-E22 PolarHBondContact NH2-OE2 3.04Å
14Q93.3Very high87.2Confident71 Ų7168.8 Ų68.833%0.33238%0.382SS..EExtended strand (participates in β ladder)trans-140138.5175.3-176.5179.6-11.200109.4Y12 V16 W21Y12-Q14 HydrophobicContact CD2-CB 4.44Å; Y12-Q14 HydrophobicContact CE2-CB 4.15Å; Q14-V16 HydrophobicContact CG-CG2 4.03Å; Q14-W21 PolarHBondContact N-O 3.23Å; Q14-W21 WeakPolarHBondContact O-CB 3.49Å; Q14-W21 PolarHBondContact O-N 2.92Å
15E92.9Very high88.8Confident144 Ų14466.5 Ų66.567%0.67337%0.372SS*.EExtended strand (participates in β ladder)trans-85.9121.3170.6-165176.815300109.4K18 T19E15-K18 WeakPolarHBondContact OE1-CA 3.35Å; E15-T19 WeakPolarHBondContact CA-O 3.25Å
16V90Very high90.2Very high8 Ų864.2 Ų64.25%0.04836%0.356CS..EExtended strand (participates in β ladder)trans-126122.1176.7-173.80000108.1Q14 K18 T19 W21 L30 P32Q14-V16 HydrophobicContact CG-CG2 4.03Å; V16-K18 VanDerWaalsContact C-N 3.31Å; V16-K18 PolarHBondContact O-N 3.1Å; V16-T19 PolarHBondContact N-O 2.68Å; V16-T19 WeakPolarHBondContact O-CB 3.31Å; V16-T19 PolarHBondContact O-N 3.43Å; V16-W21 HydrophobicContact CB-CG 4.47Å; V16-W21 HydrophobicContact CG2-CG 4.4Å; V16-L30 HydrophobicContact CG2-CB 4.27Å; V16-L30 HydrophobicContact CG2-CD2 4.24Å; V16-P32 HydrophobicContact CG1-CB 3.87Å; V16-P32 HydrophobicContact CG1-CG 4.12Å
17T84.9Confident91.5Very high84 Ų8458.6 Ų58.652%0.51532%0.319SS..THydrogen-bonded Turntrans50.646.8-179.7540000113.3T19 P32T17-T19 PolarHBondContact O-N 3.19Å; T17-P32 HydrophobicContact CG2-CB 3.67Å; T17-P32 HydrophobicContact CG2-CG 4.05Å
18K85.3Confident92.5Very high193 Ų19363.5 Ų63.584%0.83933%0.33SS*.THydrogen-bonded Turntrans64.314-178.7-51.3177.9179.3178.90115.4E15 V16E15-K18 WeakPolarHBondContact OE1-CA 3.35Å; V16-K18 VanDerWaalsContact C-N 3.31Å; V16-K18 PolarHBondContact O-N 3.1Å
19T87.5Confident93.1Very high30 Ų3065.5 Ų65.518%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-114.3133.6174.4-570000108.3E15 V16 T17 W21 K57 Y59E15-T19 WeakPolarHBondContact CA-O 3.25Å; V16-T19 PolarHBondContact N-O 2.68Å; V16-T19 WeakPolarHBondContact O-CB 3.31Å; V16-T19 PolarHBondContact O-N 3.43Å; T17-T19 PolarHBondContact O-N 3.19Å; T19-W21 VanDerWaalsContact O-CD1 3.28Å; T19-W21 PolarHBondContact O-N 2.96Å; T19-K57 HydrophobicContact CG2-CD 4.06Å; T19-Y59 HydrophobicContact CG2-CE1 4.31Å
20A91.9Very high93.7Very high53 Ų5360 Ų6044%0.43831%0.307SS..EExtended strand (participates in β ladder)trans-76.3123.4171.500000109.8K57A20-K57 PolarHBondContact O-NZ 3.04Å
21W95.1Very high93.9Very high1 Ų163.2 Ų63.20%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-107132.3173.2-72.166.7000108.7R13 Q14 V16 T19 V23 L30 A40 C42 I55 K57 Y106R13-W21 CarbonylContact C-O 3.58Å; R13-W21 VanDerWaalsContact CA-O 3.24Å; R13-W21 WeakPolarHBondContact CA-O 3.45Å; R13-W21 WeakPolarHBondContact CG-O 3.47Å; Q14-W21 PolarHBondContact N-O 3.23Å; Q14-W21 WeakPolarHBondContact O-CB 3.49Å; Q14-W21 PolarHBondContact O-N 2.92Å; V16-W21 HydrophobicContact CB-CG 4.47Å; V16-W21 HydrophobicContact CG2-CG 4.4Å; T19-W21 VanDerWaalsContact O-CD1 3.28Å; T19-W21 PolarHBondContact O-N 2.96Å; W21-V23 HydrophobicContact CB-CG2 4.17Å; W21-V23 HydrophobicContact CE3-CG2 4Å; W21-L30 HydrophobicContact CB-CD2 4.08Å; W21-L30 HydrophobicContact CD2-CD2 4.07Å; W21-L30 HydrophobicContact CE3-CD2 3.8Å; W21-L30 HydrophobicContact CG-CD2 4.2Å; W21-A40 VanDerWaalsContact CH2-O 3.3Å; W21-A40 WeakPolarHBondContact CH2-O 3.47Å; W21-A40 HydrophobicContact CZ2-CB 3.76Å; W21-C42 HydrophobicContact CH2-CB 4.01Å; W21-C42 HydrophobicContact CZ2-CB 4.43Å; W21-C42 WeakPolarHBondContact CZ2-SG 3.39Å; W21-C42 HydrophobicContact CZ3-CB 4.15Å; W21-I55 VanDerWaalsContact CH2-O 3.27Å; W21-I55 WeakPolarHBondContact CH2-O 3.43Å; W21-I55 HydrophobicContact CZ3-CB 4.16Å; W21-I55 HydrophobicContact CZ3-CG2 3.88Å; W21-I55 WeakPolarHBondContact CZ3-O 3.44Å; W21-K57 HydrophobicContact CD2-CB 4.24Å; W21-K57 HydrophobicContact CD2-CD 4.32Å; W21-K57 HydrophobicContact CE3-CB 4.08Å; W21-K57 HydrophobicContact CH2-CB 3.55Å; W21-K57 HydrophobicContact CZ2-CB 3.71Å; W21-K57 HydrophobicContact CZ3-CB 3.75Å; W21-Y106 HydrophobicContact CD2-CE1 4.19Å; W21-Y106 AromaticContact CE3-CD1 3.93Å; W21-Y106 HydrophobicContact CE3-CD1 3.93Å; W21-Y106 AromaticContact CE3-CE1 3.6Å; W21-Y106 HydrophobicContact CE3-CE1 3.6Å; W21-Y106 HydrophobicContact CZ3-CD1 4.02Å; W21-Y106 HydrophobicContact CZ3-CE1 4.12Å
22E95.6Very high93.8Very high13 Ų1365 Ų656%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-123.8104.1173-170.8163.717800108.1A7 R8 F11 Y12 R13 P95 Y106A7-E22 WeakPolarHBondContact CA-OE1 3.26Å; R8-E22 PolarHBondContact N-OE1 2.87Å; F11-E22 HydrophobicContact CB-CG 3.91Å; F11-E22 HydrophobicContact CD1-CG 4.4Å; F11-E22 HydrophobicContact CG-CG 4.45Å; Y12-E22 WeakPolarHBondContact O-CA 3.46Å; R13-E22 IonicContact CZ-OE2 3.42Å; R13-E22 IonicContact NE-OE2 3.28Å; R13-E22 PolarHBondContact NE-OE2 3.08Å; R13-E22 IonicContact NH2-OE1 3.92Å; R13-E22 IonicContact NH2-OE2 2.72Å; R13-E22 PolarHBondContact NH2-OE2 3.04Å; E22-P95 HydrophobicContact CB-CB 4.25Å; E22-P95 HydrophobicContact CB-CG 4.21Å; E22-P95 HydrophobicContact CG-CB 3.82Å; E22-P95 HydrophobicContact CG-CG 4.32Å; E22-Y106 PolarHBondContact N-OH 3.26Å; E22-Y106 WeakPolarHBondContact O-CE2 3.32Å
23V96.7Very high93.6Very high1 Ų164.9 Ų64.91%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-124.7148.3-163.4175.70000109.6F11 Y12 W21 A25 Y27 L30 I55 F93 Y106F11-V23 CarbonylContact C-O 3.58Å; F11-V23 VanDerWaalsContact CA-O 3.26Å; F11-V23 WeakPolarHBondContact CA-O 3.08Å; Y12-V23 WeakPolarHBondContact CD1-O 3.11Å; Y12-V23 HydrophobicContact CE1-CB 4.39Å; Y12-V23 PolarHBondContact N-O 3.3Å; Y12-V23 PolarHBondContact O-N 3.14Å; W21-V23 HydrophobicContact CB-CG2 4.17Å; W21-V23 HydrophobicContact CE3-CG2 4Å; V23-A25 PolarHBondContact O-N 3.12Å; V23-Y27 HydrophobicContact CG1-CD2 3.96Å; V23-Y27 HydrophobicContact CG1-CG 4.31Å; V23-L30 HydrophobicContact CG1-CD1 4.43Å; V23-L30 HydrophobicContact CG2-CD2 4.05Å; V23-I55 HydrophobicContact CG1-CD1 3.95Å; V23-F93 HydrophobicContact CB-CZ 4.23Å; V23-F93 HydrophobicContact CG1-CZ 3.81Å; V23-F93 HydrophobicContact CG2-CZ 4.22Å; V23-Y106 HydrophobicContact CG2-CD1 4.34Å; V23-Y106 HydrophobicContact CG2-CE1 4.11Å
24R97.1Very high93Very high87 Ų8762.8 Ų62.833%0.32833%0.333SS..EExtended strand (participates in β ladder)trans-57138.1176.9-61.3-176.2-179.1-77.62.8110.3G10 F11 V26 Y27 D91 F93G10-R24 WeakPolarHBondContact O-CA 3.41Å; F11-R24 HydrophobicContact CD1-CG 4.27Å; F11-R24 HydrophobicContact CE1-CB 4.47Å; F11-R24 HydrophobicContact CE1-CG 3.64Å; F11-R24 HydrophobicContact CZ-CG 3.89Å; R24-V26 HydrophobicContact CB-CG2 3.87Å; R24-V26 PolarHBondContact O-N 2.86Å; R24-Y27 HydrophobicContact CB-CD2 4.03Å; R24-Y27 HydrophobicContact CB-CE2 4.31Å; R24-Y27 PolarHBondContact O-N 2.93Å; R24-D91 IonicContact NE-OD2 3.28Å; R24-D91 PolarHBondContact NE-OD2 3.19Å; R24-F93 HydrophobicContact CG-CB 4.44Å; R24-F93 HydrophobicContact CG-CD1 4.2Å; R24-F93 HydrophobicContact CG-CD2 4.14Å; R24-F93 HydrophobicContact CG-CE2 4.45Å; R24-F93 HydrophobicContact CG-CG 4.01Å; R24-F93 VanDerWaalsContact NE-CB 3.29Å
25A96.6Very high92.2Very high50 Ų5063.6 Ų63.641%0.41335%0.347SS..THydrogen-bonded Turntrans-60.5-13.7-178.700000115.1G10 V23 Y27G10-A25 PolarHBondContact O-N 2.68Å; V23-A25 PolarHBondContact O-N 3.12Å; A25-Y27 VanDerWaalsContact C-N 3.32Å
26V97.1Very high91.1Very high42 Ų4258.8 Ų58.826%0.25534%0.336SS..THydrogen-bonded Turntrans-71.4-26.4174.1-62.20000112.9R24 S47 R48R24-V26 HydrophobicContact CB-CG2 3.87Å; R24-V26 PolarHBondContact O-N 2.86Å; V26-S47 WeakPolarHBondContact CA-OG 3.22Å; V26-S47 WeakPolarHBondContact O-CB 3.49Å; V26-S47 PolarHBondContact O-N 3.39Å; V26-S47 PolarHBondContact O-OG 2.99Å; V26-R48 HydrophobicContact CB-CG 4.45Å; V26-R48 HydrophobicContact CG1-CG 4.38Å
27Y98Very high90Very high1 Ų162.1 Ų62.10%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-94.4121.7175.9-59.3-62.9000109.4Y12 V23 R24 A25 V45 D46 R48 V53 I55 D91 F93 V108Y12-Y27 WeakPolarHBondContact CE1-O 3.2Å; Y12-Y27 PolarHBondContact OH-O 3.16Å; V23-Y27 HydrophobicContact CG1-CD2 3.96Å; V23-Y27 HydrophobicContact CG1-CG 4.31Å; R24-Y27 HydrophobicContact CB-CD2 4.03Å; R24-Y27 HydrophobicContact CB-CE2 4.31Å; R24-Y27 PolarHBondContact O-N 2.93Å; A25-Y27 VanDerWaalsContact C-N 3.32Å; Y27-V45 CarbonylContact C-O 3.47Å; Y27-V45 WeakPolarHBondContact CA-O 3.45Å; Y27-D46 HydrophobicContact CD1-CB 4.07Å; Y27-D46 HydrophobicContact CE1-CB 3.95Å; Y27-R48 PolarHBondContact OH-NH2 3.45Å; Y27-V53 HydrophobicContact CD1-CG2 3.83Å; Y27-V53 HydrophobicContact CE1-CG2 4.04Å; Y27-I55 HydrophobicContact CD1-CD1 4.18Å; Y27-I55 HydrophobicContact CD2-CD1 4.03Å; Y27-I55 HydrophobicContact CG-CD1 3.7Å; Y27-D91 WeakPolarHBondContact OH-CB 3.38Å; Y27-D91 PolarHBondContact OH-OD2 3.04Å; Y27-F93 HydrophobicContact CD2-CE1 4.1Å; Y27-F93 HydrophobicContact CE2-CD1 4.26Å; Y27-F93 AromaticContact CE2-CE1 3.87Å; Y27-F93 HydrophobicContact CE2-CE1 3.87Å; Y27-V108 HydrophobicContact CE1-CG1 3.92Å; Y27-V108 HydrophobicContact CE2-CG2 3.96Å
28R96.2Very high89.3Confident143 Ų14361.7 Ų61.754%0.5435%0.354SS..EExtended strand (participates in β ladder)trans-119.3167.6-175.2-60.1-175.8-174.8176.42.6111.5L30 A44 V45R28-L30 PolarHBondContact O-N 3.15Å; R28-A44 CarbonylContact O-C 3.54Å; R28-A44 VanDerWaalsContact O-CA 3.29Å; R28-A44 WeakPolarHBondContact O-CA 3.44Å; R28-A44 WeakPolarHBondContact O-CB 3.48Å; R28-V45 PolarHBondContact N-O 3.44Å; R28-V45 PolarHBondContact O-N 3.43Å
29D95.8Very high89.1Confident112 Ų11252.8 Ų52.860%0.59932%0.317SS*.EExtended strand (participates in β ladder)trans55.553.8171.8-53.6-36.6000113.9Q31D29-Q31 PolarHBondContact O-N 2.66Å
30L96.8Very high89.2Confident3 Ų351.5 Ų51.52%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-59.8122.4176.6-99.168.6000110.9Y12 V16 W21 V23 R28 C42 S43 A44Y12-L30 VanDerWaalsContact OH-CD1 3.28Å; Y12-L30 WeakPolarHBondContact OH-CD1 3.19Å; V16-L30 HydrophobicContact CG2-CB 4.27Å; V16-L30 HydrophobicContact CG2-CD2 4.24Å; W21-L30 HydrophobicContact CB-CD2 4.08Å; W21-L30 HydrophobicContact CD2-CD2 4.07Å; W21-L30 HydrophobicContact CE3-CD2 3.8Å; W21-L30 HydrophobicContact CG-CD2 4.2Å; V23-L30 HydrophobicContact CG1-CD1 4.43Å; V23-L30 HydrophobicContact CG2-CD2 4.05Å; R28-L30 PolarHBondContact O-N 3.15Å; L30-C42 HydrophobicContact CB-CB 4.43Å; L30-C42 HydrophobicContact CD2-CB 4.31Å; L30-C42 HydrophobicContact CG-CB 4Å; L30-S43 CarbonylContact C-O 3.57Å; L30-S43 WeakPolarHBondContact CA-O 3.27Å; L30-A44 HydrophobicContact CD1-CB 3.82Å
31Q95.8Very high89.2Confident116 Ų11650.9 Ų50.954%0.54230%0.3SS..EExtended strand (participates in β ladder)trans-125.1128.4174.2-63.4-60.9-35.200110D29 V33 C42 S43D29-Q31 PolarHBondContact O-N 2.66Å; Q31-V33 PolarHBondContact O-N 2.98Å; Q31-C42 CarbonylContact O-C 3.58Å; Q31-C42 WeakPolarHBondContact O-CA 3.47Å; Q31-C42 WeakPolarHBondContact O-CB 3.39Å; Q31-S43 PolarHBondContact N-O 3.13Å; Q31-S43 PolarHBondContact O-N 3.22Å
32P94.6Very high89.3Confident69 Ų6950.9 Ų50.945%0.44830%0.3SS..EExtended strand (participates in β ladder)trans-64.9134.8179.626.7-32.9000111.3V16 T17V16-P32 HydrophobicContact CG1-CB 3.87Å; V16-P32 HydrophobicContact CG1-CG 4.12Å; T17-P32 HydrophobicContact CG2-CB 3.67Å; T17-P32 HydrophobicContact CG2-CG 4.05Å
33V89.9Confident89.4Confident58 Ų5850.6 Ų50.635%0.35230%0.3SS..EExtended strand (participates in β ladder)trans-113.3-42.2179.3177.30000111.1Q31 V41 S43 F111Q31-V33 PolarHBondContact O-N 2.98Å; V33-V41 HydrophobicContact CB-CG1 4.39Å; V33-V41 PolarHBondContact N-O 3.15Å; V33-S43 VanDerWaalsContact CG2-N 3.34Å; V33-F111 HydrophobicContact CG2-CE2 3.93Å
34G82Confident89.4Confident39 Ų3950.6 Ų50.640%0.40230%0.3SS..EExtended strand (participates in β ladder)trans-171163.3-178.300000112.7V41G34-V41 PolarHBondContact N-O 2.99Å; G34-V41 PolarHBondContact O-N 3Å
35S76.7Confident89.5Confident88 Ų8848.9 Ų48.962%0.61530%0.299SS*.EExtended strand (participates in β ladder)trans-137.9141.1176.6-176.10000108.7Y59S35-Y59 PolarHBondContact OG-OH 3.37Å
36G70Confident89.5Confident43 Ų4347 Ų4744%0.44328%0.282SS..EExtended strand (participates in β ladder)trans-141.9-178.8178.700000111.5Y38 G39 Y59G36-Y38 PolarHBondContact O-N 2.99Å; G36-Y38 VanDerWaalsContact O-N 3.14Å; G36-G39 PolarHBondContact N-O 3.29Å; G36-G39 PolarHBondContact O-N 3.13Å; G36-Y59 WeakPolarHBondContact O-CE2 3.47Å
37A66.5Low89.5Confident79 Ų7947.5 Ų47.565%0.65329%0.288SS*.THydrogen-bonded Turntrans-60.3-26.8-176.600000113.7
38Y69.7Low89.3Confident74 Ų7454.1 Ų54.129%0.2931%0.312SS..THydrogen-bonded Turntrans-107.9-1.3-172.9-53-66.8000113.9G36 Y59 F67 R70G36-Y38 PolarHBondContact O-N 2.99Å; G36-Y38 VanDerWaalsContact O-N 3.14Å; Y38-Y59 PolarHBondContact O-N 3.3Å; Y38-Y59 VanDerWaalsContact O-N 3.12Å; Y38-F67 AromaticContact CD1-CE1 4Å; Y38-F67 HydrophobicContact CD1-CE1 4Å; Y38-F67 HydrophobicContact CE1-CE1 4.19Å; Y38-F67 HydrophobicContact CE1-CZ 4.42Å; Y38-R70 PolarHBondContact OH-NH1 2.7Å
39G81.8Confident89.2Confident7 Ų750 Ų507%0.07230%0.304CS..EExtended strand (participates in β ladder)trans164.9175.4-179.200000114.4G36 K57 Y59G36-G39 PolarHBondContact N-O 3.29Å; G36-G39 PolarHBondContact O-N 3.13Å; G39-K57 CarbonylContact C-O 3.59Å; G39-K57 WeakPolarHBondContact CA-O 3.26Å; G39-Y59 VanDerWaalsContact C-CE2 3.42Å; G39-Y59 VanDerWaalsContact CA-CD2 3.44Å
40A89.4Confident89.1Confident2 Ų247.4 Ų47.42%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-115.1153.5166.800000111.1W21 K56 K57 Y59W21-A40 VanDerWaalsContact CH2-O 3.3Å; W21-A40 WeakPolarHBondContact CH2-O 3.47Å; W21-A40 HydrophobicContact CZ2-CB 3.76Å; A40-K56 CarbonylContact O-C 3.56Å; A40-K56 VanDerWaalsContact O-CA 3.3Å; A40-K56 WeakPolarHBondContact O-CA 3.38Å; A40-K57 PolarHBondContact N-O 3.33Å; A40-K57 PolarHBondContact O-N 2.73Å; A40-Y59 HydrophobicContact CB-CE1 3.98Å; A40-Y59 WeakPolarHBondContact CB-OH 3.27Å
41V92.9Very high89Confident41 Ų4149.5 Ų49.525%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-120.5127.6179.4-175.50000109V33 G34 A54 I55 K56V33-V41 HydrophobicContact CB-CG1 4.39Å; V33-V41 PolarHBondContact N-O 3.15Å; G34-V41 PolarHBondContact N-O 2.99Å; G34-V41 PolarHBondContact O-N 3Å; V41-A54 HydrophobicContact CG1-CB 4.09Å; V41-I55 WeakPolarHBondContact CA-O 3.31Å; V41-K56 HydrophobicContact CG2-CB 4.09Å; V41-K56 HydrophobicContact CG2-CG 4.03Å
42C96.3Very high89.1Confident1 Ų149.3 Ų49.31%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-113.3145.1166.9-65.40000109.7W21 L30 Q31 A54 I55W21-C42 HydrophobicContact CH2-CB 4.01Å; W21-C42 HydrophobicContact CZ2-CB 4.43Å; W21-C42 WeakPolarHBondContact CZ2-SG 3.39Å; W21-C42 HydrophobicContact CZ3-CB 4.15Å; L30-C42 HydrophobicContact CB-CB 4.43Å; L30-C42 HydrophobicContact CD2-CB 4.31Å; L30-C42 HydrophobicContact CG-CB 4Å; Q31-C42 CarbonylContact O-C 3.58Å; Q31-C42 WeakPolarHBondContact O-CA 3.47Å; Q31-C42 WeakPolarHBondContact O-CB 3.39Å; C42-A54 CarbonylContact O-C 3.53Å; C42-I55 PolarHBondContact N-O 3.15Å; C42-I55 PolarHBondContact O-N 3Å
43S97Very high89.2Confident7 Ų746.1 Ų46.15%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-81149.6159.871.50000109.6L30 Q31 V33 K52 V53L30-S43 CarbonylContact C-O 3.57Å; L30-S43 WeakPolarHBondContact CA-O 3.27Å; Q31-S43 PolarHBondContact N-O 3.13Å; Q31-S43 PolarHBondContact O-N 3.22Å; V33-S43 VanDerWaalsContact CG2-N 3.34Å; S43-K52 WeakPolarHBondContact OG-CE 3.31Å; S43-V53 CarbonylContact C-O 3.12Å; S43-V53 VanDerWaalsContact CA-O 3.23Å; S43-V53 WeakPolarHBondContact CA-O 3.47Å
44A98.1Very high89.5Confident1 Ų143.9 Ų43.91%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-147.2167.8175.100000109.7R28 L30 K52 V53 I55R28-A44 CarbonylContact O-C 3.54Å; R28-A44 VanDerWaalsContact O-CA 3.29Å; R28-A44 WeakPolarHBondContact O-CA 3.44Å; R28-A44 WeakPolarHBondContact O-CB 3.48Å; L30-A44 HydrophobicContact CD1-CB 3.82Å; A44-K52 CarbonylContact O-C 3.55Å; A44-K52 WeakPolarHBondContact O-CA 3.45Å; A44-V53 HydrophobicContact CB-CG2 4.09Å; A44-V53 PolarHBondContact N-O 3.3Å; A44-V53 PolarHBondContact O-N 2.92Å; A44-I55 HydrophobicContact CB-CD1 3.71Å; A44-I55 HydrophobicContact CB-CG1 4.22Å
45V98.1Very high90.3Very high51 Ų5142 Ų4231%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-104.9124.3171.5-178.40000109Y27 R28 S47Y27-V45 CarbonylContact C-O 3.47Å; Y27-V45 WeakPolarHBondContact CA-O 3.45Å; R28-V45 PolarHBondContact N-O 3.44Å; R28-V45 PolarHBondContact O-N 3.43Å; V45-S47 PolarHBondContact O-N 3.4Å
46D97.4Very high91.1Very high9 Ų939 Ų395%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-78.7104.9171.3-174.7-16000109.4Y27 R48 T49 G50 A51 V53Y27-D46 HydrophobicContact CD1-CB 4.07Å; Y27-D46 HydrophobicContact CE1-CB 3.95Å; D46-R48 PolarHBondContact O-N 3.36Å; D46-R48 WeakPolarHBondContact OD1-CB 3.38Å; D46-R48 WeakPolarHBondContact OD1-CG 3.43Å; D46-R48 IonicContact OD1-CZ 3.37Å; D46-R48 PolarHBondContact OD1-N 3.09Å; D46-R48 IonicContact OD1-NE 3.81Å; D46-R48 PolarHBondContact OD1-NE 3.42Å; D46-R48 IonicContact OD1-NH2 3.12Å; D46-R48 IonicContact OD2-CZ 3.18Å; D46-R48 IonicContact OD2-NE 3.94Å; D46-R48 PolarHBondContact OD2-NE 3.23Å; D46-R48 IonicContact OD2-NH2 2.67Å; D46-R48 PolarHBondContact OD2-NH2 3.04Å; D46-T49 PolarHBondContact O-N 3.48Å; D46-T49 VanDerWaalsContact O-N 3.08Å; D46-T49 PolarHBondContact O-OG1 3.38Å; D46-G50 WeakPolarHBondContact O-CA 3.34Å; D46-G50 PolarHBondContact O-N 3.44Å; D46-A51 PolarHBondContact N-O 3.27Å; D46-V53 HydrophobicContact CB-CG1 4.23Å
47S96.4Very high92.3Very high54 Ų5437.8 Ų37.838%0.37822%0.224SC..THydrogen-bonded Turntrans-62.8-13.6-176.457.30000114.9V26 V45V26-S47 WeakPolarHBondContact CA-OG 3.22Å; V26-S47 WeakPolarHBondContact O-CB 3.49Å; V26-S47 PolarHBondContact O-N 3.39Å; V26-S47 PolarHBondContact O-OG 2.99Å; V45-S47 PolarHBondContact O-N 3.4Å
48R94.2Very high93.5Very high139 Ų13934.3 Ų34.353%0.52519%0.194SC..THydrogen-bonded Turntrans-76.8-32.1175.5-58.6169.2-67.1-171.6-0.6112.2V26 Y27 D46V26-R48 HydrophobicContact CB-CG 4.45Å; V26-R48 HydrophobicContact CG1-CG 4.38Å; Y27-R48 PolarHBondContact OH-NH2 3.45Å; D46-R48 PolarHBondContact O-N 3.36Å; D46-R48 WeakPolarHBondContact OD1-CB 3.38Å; D46-R48 WeakPolarHBondContact OD1-CG 3.43Å; D46-R48 IonicContact OD1-CZ 3.37Å; D46-R48 PolarHBondContact OD1-N 3.09Å; D46-R48 IonicContact OD1-NE 3.81Å; D46-R48 PolarHBondContact OD1-NE 3.42Å; D46-R48 IonicContact OD1-NH2 3.12Å; D46-R48 IonicContact OD2-CZ 3.18Å; D46-R48 IonicContact OD2-NE 3.94Å; D46-R48 PolarHBondContact OD2-NE 3.23Å; D46-R48 IonicContact OD2-NH2 2.67Å; D46-R48 PolarHBondContact OD2-NH2 3.04Å
49T94Very high94.2Very high58 Ų5833.5 Ų33.536%0.35619%0.191SC..THydrogen-bonded Turntrans-119.7-18.3-171.760.20000113.2D46 A51D46-T49 PolarHBondContact O-N 3.48Å; D46-T49 VanDerWaalsContact O-N 3.08Å; D46-T49 PolarHBondContact O-OG1 3.38Å; T49-A51 PolarHBondContact O-N 2.96Å; T49-A51 WeakPolarHBondContact OG1-CB 3.46Å; T49-A51 PolarHBondContact OG1-N 2.92Å; T49-A51 VanDerWaalsContact OG1-N 3.12Å
50G94.4Very high94.4Very high56 Ų5642 Ų4258%0.57722%0.221SC*.  trans74.9-2.9-168.100000113.9D46D46-G50 WeakPolarHBondContact O-CA 3.34Å; D46-G50 PolarHBondContact O-N 3.44Å
51A94.8Very high94.5Very high48 Ų4842 Ų4240%0.39722%0.221SC..  trans-74.7143-176.100000111.8D46 T49D46-A51 PolarHBondContact N-O 3.27Å; T49-A51 PolarHBondContact O-N 2.96Å; T49-A51 WeakPolarHBondContact OG1-CB 3.46Å; T49-A51 PolarHBondContact OG1-N 2.92Å; T49-A51 VanDerWaalsContact OG1-N 3.12Å
52K96.5Very high94.6Very high111 Ų11141.4 Ų41.448%0.48322%0.215SC..EExtended strand (participates in β ladder)trans-77.3132.2170.1-161.5167.8-179.9177.90109.7S43 A44 F111S43-K52 WeakPolarHBondContact OG-CE 3.31Å; A44-K52 CarbonylContact O-C 3.55Å; A44-K52 WeakPolarHBondContact O-CA 3.45Å; K52-F111 HydrophobicContact CB-CB 4.22Å; K52-F111 HydrophobicContact CB-CD1 4.24Å; K52-F111 HydrophobicContact CD-CD1 3.52Å; K52-F111 HydrophobicContact CD-CE1 3.71Å; K52-F111 HydrophobicContact CD-CG 4.19Å; K52-F111 HydrophobicContact CG-CB 4.03Å; K52-F111 HydrophobicContact CG-CD1 3.71Å; K52-F111 HydrophobicContact CG-CE1 4.35Å; K52-F111 HydrophobicContact CG-CG 3.9Å; K52-F111 WeakPolarHBondContact O-CB 3.33Å; K52-F111 PolarHBondContact O-N 2.8Å
53V97.5Very high94.4Very high2 Ų246 Ų461%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-127154.8-177.7-61.80000111Y27 S43 A44 D46 I55 L90 V108Y27-V53 HydrophobicContact CD1-CG2 3.83Å; Y27-V53 HydrophobicContact CE1-CG2 4.04Å; S43-V53 CarbonylContact C-O 3.12Å; S43-V53 VanDerWaalsContact CA-O 3.23Å; S43-V53 WeakPolarHBondContact CA-O 3.47Å; A44-V53 HydrophobicContact CB-CG2 4.09Å; A44-V53 PolarHBondContact N-O 3.3Å; A44-V53 PolarHBondContact O-N 2.92Å; D46-V53 HydrophobicContact CB-CG1 4.23Å; V53-I55 HydrophobicContact CG2-CD1 4.5Å; V53-I55 HydrophobicContact CG2-CG1 4.17Å; V53-L90 HydrophobicContact CG1-CD1 3.91Å; V53-V108 HydrophobicContact CB-CG1 3.8Å; V53-V108 HydrophobicContact CG1-CG1 4.2Å; V53-V108 HydrophobicContact CG2-CG1 3.9Å
54A97Very high94.1Very high12 Ų1247.8 Ų47.810%0.09925%0.249CC..EExtended strand (participates in β ladder)trans-101.3122.9170.100000109V41 C42 V108 M109 F111V41-A54 HydrophobicContact CG1-CB 4.09Å; C42-A54 CarbonylContact O-C 3.53Å; A54-V108 CarbonylContact O-C 3.6Å; A54-V108 WeakPolarHBondContact O-CA 3.5Å; A54-M109 PolarHBondContact N-O 3.2Å; A54-M109 PolarHBondContact O-N 3.1Å; A54-F111 HydrophobicContact CB-CD2 4.24Å
55I97.1Very high93.8Very high0 Ų052.9 Ų52.90%027%0.273CS..EExtended strand (participates in β ladder)trans-108.1115.8176.2-50.3-176.1000108W21 V23 Y27 V41 C42 A44 V53 F93 Y106 L107 V108W21-I55 VanDerWaalsContact CH2-O 3.27Å; W21-I55 WeakPolarHBondContact CH2-O 3.43Å; W21-I55 HydrophobicContact CZ3-CB 4.16Å; W21-I55 HydrophobicContact CZ3-CG2 3.88Å; W21-I55 WeakPolarHBondContact CZ3-O 3.44Å; V23-I55 HydrophobicContact CG1-CD1 3.95Å; Y27-I55 HydrophobicContact CD1-CD1 4.18Å; Y27-I55 HydrophobicContact CD2-CD1 4.03Å; Y27-I55 HydrophobicContact CG-CD1 3.7Å; V41-I55 WeakPolarHBondContact CA-O 3.31Å; C42-I55 PolarHBondContact N-O 3.15Å; C42-I55 PolarHBondContact O-N 3Å; A44-I55 HydrophobicContact CB-CD1 3.71Å; A44-I55 HydrophobicContact CB-CG1 4.22Å; V53-I55 HydrophobicContact CG2-CD1 4.5Å; V53-I55 HydrophobicContact CG2-CG1 4.17Å; I55-F93 HydrophobicContact CG2-CE1 4.45Å; I55-F93 HydrophobicContact CG2-CZ 4.33Å; I55-Y106 HydrophobicContact CG2-CD1 4.04Å; I55-Y106 HydrophobicContact CG2-CG 4.49Å; I55-L107 CarbonylContact C-O 3.58Å; I55-L107 WeakPolarHBondContact CA-O 3.37Å; I55-V108 HydrophobicContact CG1-CG1 4.37Å; I55-V108 HydrophobicContact CG1-CG2 4.22Å; I55-V108 HydrophobicContact CG2-CG2 4.37Å
56K94.9Very high93.2Very high25 Ų2554.2 Ų54.211%0.10928%0.278CS..EExtended strand (participates in β ladder)trans-97.3118174.1-176.3179.8175.3-175.40109.4A40 V41 L58 E74 Y106 L107 M109A40-K56 CarbonylContact O-C 3.56Å; A40-K56 VanDerWaalsContact O-CA 3.3Å; A40-K56 WeakPolarHBondContact O-CA 3.38Å; V41-K56 HydrophobicContact CG2-CB 4.09Å; V41-K56 HydrophobicContact CG2-CG 4.03Å; K56-L58 HydrophobicContact CD-CD2 4.47Å; K56-L58 HydrophobicContact CG-CD2 4.21Å; K56-E74 VanDerWaalsContact NZ-CD 3.32Å; K56-E74 IonicContact NZ-OE1 2.74Å; K56-E74 PolarHBondContact NZ-OE1 3.25Å; K56-E74 IonicContact NZ-OE2 2.63Å; K56-E74 PolarHBondContact NZ-OE2 3.38Å; K56-Y106 CarbonylContact O-C 3.54Å; K56-Y106 VanDerWaalsContact O-CA 3.31Å; K56-Y106 WeakPolarHBondContact O-CA 3.07Å; K56-L107 HydrophobicContact CB-CB 4.36Å; K56-L107 HydrophobicContact CD-CD1 4.49Å; K56-L107 PolarHBondContact N-O 3.14Å; K56-L107 PolarHBondContact O-N 2.79Å; K56-M109 HydrophobicContact CB-CE 3.76Å
57K94.8Very high92.7Very high16 Ų1656.1 Ų56.17%0.0729%0.286CS..EExtended strand (participates in β ladder)trans-88.4123.9166.9179.8175.2176.2143.70108.8T19 A20 W21 G39 A40 D104 Y106T19-K57 HydrophobicContact CG2-CD 4.06Å; A20-K57 PolarHBondContact O-NZ 3.04Å; W21-K57 HydrophobicContact CD2-CB 4.24Å; W21-K57 HydrophobicContact CD2-CD 4.32Å; W21-K57 HydrophobicContact CE3-CB 4.08Å; W21-K57 HydrophobicContact CH2-CB 3.55Å; W21-K57 HydrophobicContact CZ2-CB 3.71Å; W21-K57 HydrophobicContact CZ3-CB 3.75Å; G39-K57 CarbonylContact C-O 3.59Å; G39-K57 WeakPolarHBondContact CA-O 3.26Å; A40-K57 PolarHBondContact N-O 3.33Å; A40-K57 PolarHBondContact O-N 2.73Å; K57-D104 WeakPolarHBondContact CE-OD2 3.4Å; K57-D104 IonicContact NZ-OD2 2.79Å; K57-D104 PolarHBondContact NZ-OD2 3.02Å; K57-Y106 HydrophobicContact CB-CD1 3.74Å; K57-Y106 HydrophobicContact CB-CE1 3.61Å; K57-Y106 HydrophobicContact CD-CE1 3.66Å; K57-Y106 HydrophobicContact CG-CD1 4.09Å; K57-Y106 HydrophobicContact CG-CE1 3.6Å; K57-Y106 PolarHBondContact NZ-OH 3.37Å
58L90.9Very high92.5Very high6 Ų653.6 Ų53.63%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-75.8134.5176.7-78.5-76.6000109.4K56 R60 P61 F105 L107K56-L58 HydrophobicContact CD-CD2 4.47Å; K56-L58 HydrophobicContact CG-CD2 4.21Å; L58-R60 PolarHBondContact O-N 3.03Å; L58-P61 HydrophobicContact CB-CB 4.17Å; L58-P61 HydrophobicContact CB-CG 4.15Å; L58-F105 HydrophobicContact CD2-CE2 4.19Å; L58-F105 HydrophobicContact CG-CE1 4.3Å; L58-F105 HydrophobicContact CG-CE2 4.05Å; L58-F105 HydrophobicContact CG-CZ 3.89Å; L58-F105 PolarHBondContact N-O 3.46Å; L58-L107 HydrophobicContact CD2-CD1 3.75Å; L58-L107 HydrophobicContact CD2-CG 3.93Å
59Y84.8Confident92.3Very high58 Ų5849.4 Ų49.423%0.22725%0.254CS..SBendtrans-86.2113.7177.6-71.1-26.3000111.2T19 S35 G36 Y38 G39 A40 P61T19-Y59 HydrophobicContact CG2-CE1 4.31Å; S35-Y59 PolarHBondContact OG-OH 3.37Å; G36-Y59 WeakPolarHBondContact O-CE2 3.47Å; Y38-Y59 PolarHBondContact O-N 3.3Å; Y38-Y59 VanDerWaalsContact O-N 3.12Å; G39-Y59 VanDerWaalsContact C-CE2 3.42Å; G39-Y59 VanDerWaalsContact CA-CD2 3.44Å; A40-Y59 HydrophobicContact CB-CE1 3.98Å; A40-Y59 WeakPolarHBondContact CB-OH 3.27Å; Y59-P61 VanDerWaalsContact C-N 3.33Å
60R86.9Confident92Very high185 Ų18548.8 Ų48.870%0.69825%0.245SC*.SBendtrans41.956.3175.5-58.1-178.2-178.7165.7-0.2111.9L58 F62 Q63L58-R60 PolarHBondContact O-N 3.03Å; R60-F62 PolarHBondContact O-N 3.13Å; R60-Q63 HydrophobicContact CB-CB 4.1Å; R60-Q63 HydrophobicContact CB-CG 4.42Å; R60-Q63 WeakPolarHBondContact O-CG 3.44Å; R60-Q63 PolarHBondContact O-N 3Å; R60-Q63 VanDerWaalsContact O-N 3.07Å
61P91.1Very high91.8Very high3 Ų346.3 Ų46.32%0.01922%0.219CC..THydrogen-bonded Turntrans-58.9-23.7-172.523.6-33.4000112.8L58 Y59 F67 A68 A71 T103 F105L58-P61 HydrophobicContact CB-CB 4.17Å; L58-P61 HydrophobicContact CB-CG 4.15Å; Y59-P61 VanDerWaalsContact C-N 3.33Å; P61-F67 CarbonylContact O-C 3.11Å; P61-F67 WeakPolarHBondContact O-CB 3.43Å; P61-A68 WeakPolarHBondContact O-CA 3.44Å; P61-A68 PolarHBondContact O-N 2.85Å; P61-A71 HydrophobicContact CB-CB 3.74Å; P61-T103 WeakPolarHBondContact CG-O 3.27Å; P61-F105 HydrophobicContact CB-CE1 3.88Å; P61-F105 HydrophobicContact CG-CD1 4.12Å; P61-F105 HydrophobicContact CG-CE1 3.9Å
62F94.3Very high91.7Very high27 Ų2744.5 Ų44.512%0.11820%0.202CC..THydrogen-bonded Turntrans-106.429.8-179.7-47.2-62.8000113.4R60 A68 F102 F105 L337 K341 T344R60-F62 PolarHBondContact O-N 3.13Å; F62-A68 HydrophobicContact CD1-CB 3.89Å; F62-F102 HydrophobicContact CE1-CE1 4.24Å; F62-F102 AromaticContact CE2-CD1 3.82Å; F62-F102 HydrophobicContact CE2-CD1 3.82Å; F62-F102 AromaticContact CE2-CE1 3.48Å; F62-F102 HydrophobicContact CE2-CE1 3.48Å; F62-F102 VanDerWaalsContact CE2-CE1 3.48Å; F62-F102 HydrophobicContact CE2-CE2 4.24Å; F62-F102 HydrophobicContact CE2-CG 4.35Å; F62-F102 AromaticContact CE2-CZ 3.72Å; F62-F102 HydrophobicContact CE2-CZ 3.72Å; F62-F102 AromaticContact CZ-CD1 3.93Å; F62-F102 HydrophobicContact CZ-CD1 3.93Å; F62-F102 AromaticContact CZ-CE1 3.21Å; F62-F102 HydrophobicContact CZ-CE1 3.21Å; F62-F102 HydrophobicContact CZ-CE2 4.49Å; F62-F102 AromaticContact CZ-CZ 3.55Å; F62-F102 HydrophobicContact CZ-CZ 3.55Å; F62-F105 HydrophobicContact CE2-CD1 4.49Å; F62-F105 HydrophobicContact CZ-CD1 4.23Å; F62-F105 HydrophobicContact CZ-CE1 4.08Å; F62-L337 HydrophobicContact CB-CD1 4.2Å; F62-L337 WeakPolarHBondContact O-CD2 3.49Å; F62-K341 HydrophobicContact CD1-CB 3.93Å; F62-K341 HydrophobicContact CD1-CG 4.26Å; F62-K341 HydrophobicContact CD2-CD 4.35Å; F62-K341 HydrophobicContact CD2-CG 4.26Å; F62-K341 HydrophobicContact CE1-CB 4.14Å; F62-K341 HydrophobicContact CE1-CG 4.34Å; F62-K341 HydrophobicContact CE2-CG 4.33Å; F62-K341 HydrophobicContact CG-CB 4.3Å; F62-K341 HydrophobicContact CG-CD 4.38Å; F62-K341 HydrophobicContact CG-CG 4.24Å; F62-K341 HydrophobicContact CZ-CG 4.38Å; F62-T344 HydrophobicContact CE1-CG2 4.24Å; F62-T344 HydrophobicContact CZ-CG2 4Å
63Q91.8Very high91.4Very high98 Ų9840.5 Ų40.546%0.45818%0.184SC..SBendtrans-76.9-23.217668.2-177.3-18.400114.1R60 F67R60-Q63 HydrophobicContact CB-CB 4.1Å; R60-Q63 HydrophobicContact CB-CG 4.42Å; R60-Q63 WeakPolarHBondContact O-CG 3.44Å; R60-Q63 PolarHBondContact O-N 3Å; R60-Q63 VanDerWaalsContact O-N 3.07Å; Q63-F67 HydrophobicContact CG-CB 4.06Å; Q63-F67 HydrophobicContact CG-CD1 4.28Å; Q63-F67 HydrophobicContact CG-CD2 4.09Å; Q63-F67 HydrophobicContact CG-CG 3.88Å
64S91.2Very high91.1Very high44 Ų4440.9 Ų40.931%0.30819%0.186SC..SBendtrans-158161.9174.870.30000110.1L66 F67 A68S64-L66 PolarHBondContact O-N 3.29Å; S64-F67 PolarHBondContact O-N 3.04Å; S64-F67 VanDerWaalsContact O-N 3.1Å; S64-F67 WeakPolarHBondContact OG-CD2 3.26Å; S64-A68 PolarHBondContact O-N 3.41Å
65E90.9Very high90.9Very high108 Ų10840.3 Ų40.351%0.50518%0.181SC..Hα-helixtrans-57.3-38.4179.9-67.1174175.600112.1F67 A68 K69 L337E65-F67 PolarHBondContact O-N 2.87Å; E65-A68 PolarHBondContact O-N 3.09Å; E65-K69 WeakPolarHBondContact O-CB 3.38Å; E65-K69 PolarHBondContact O-N 3.35Å; E65-L337 HydrophobicContact CG-CB 4.3Å
66L86.5Confident90.7Very high79 Ų7942 Ų4241%0.41419%0.187SC..Hα-helixtrans-62.6-43.1176.5-179.162.6000112.3S64 R70S64-L66 PolarHBondContact O-N 3.29Å; L66-R70 WeakPolarHBondContact O-CB 3.39Å; L66-R70 VanDerWaalsContact O-CG 3.27Å; L66-R70 WeakPolarHBondContact O-CG 3.43Å; L66-R70 PolarHBondContact O-N 3.19Å; L66-R70 VanDerWaalsContact O-N 3.1Å
67F87.3Confident90.5Very high50 Ų5040.9 Ų40.922%0.21918%0.182CC..Hα-helixtrans-68.6-40.6177.5-86.7-104.6000111.2Y38 P61 Q63 S64 E65 R70 A71Y38-F67 AromaticContact CD1-CE1 4Å; Y38-F67 HydrophobicContact CD1-CE1 4Å; Y38-F67 HydrophobicContact CE1-CE1 4.19Å; Y38-F67 HydrophobicContact CE1-CZ 4.42Å; P61-F67 CarbonylContact O-C 3.11Å; P61-F67 WeakPolarHBondContact O-CB 3.43Å; Q63-F67 HydrophobicContact CG-CB 4.06Å; Q63-F67 HydrophobicContact CG-CD1 4.28Å; Q63-F67 HydrophobicContact CG-CD2 4.09Å; Q63-F67 HydrophobicContact CG-CG 3.88Å; S64-F67 PolarHBondContact O-N 3.04Å; S64-F67 VanDerWaalsContact O-N 3.1Å; S64-F67 WeakPolarHBondContact OG-CD2 3.26Å; E65-F67 PolarHBondContact O-N 2.87Å; F67-R70 PolarHBondContact O-N 3.38Å; F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 2.74Å
68A91.9Very high90.5Very high0 Ų040.3 Ų40.30%018%0.18CC..Hα-helixtrans-66-44.1-179.800000111.4P61 F62 S64 E65 R70 A71 Y72 L337 W340P61-A68 WeakPolarHBondContact O-CA 3.44Å; P61-A68 PolarHBondContact O-N 2.85Å; F62-A68 HydrophobicContact CD1-CB 3.89Å; S64-A68 PolarHBondContact O-N 3.41Å; E65-A68 PolarHBondContact O-N 3.09Å; A68-R70 PolarHBondContact O-N 2.63Å; A68-A71 PolarHBondContact O-N 3.39Å; A68-Y72 WeakPolarHBondContact O-CB 3.18Å; A68-Y72 PolarHBondContact O-N 3.06Å; A68-L337 HydrophobicContact CB-CD1 3.78Å; A68-W340 HydrophobicContact CB-CB 3.57Å; A68-W340 HydrophobicContact CB-CG 4.04Å
69K89.8Confident90.5Very high52 Ų5242.3 Ų42.323%0.22619%0.189CC..Hα-helixtrans-57.2-46.5173-175.2178.1-167.7-175.20111.8E65 R73 D331 D332 W340E65-K69 WeakPolarHBondContact O-CB 3.38Å; E65-K69 PolarHBondContact O-N 3.35Å; K69-R73 WeakPolarHBondContact O-CB 3.37Å; K69-R73 PolarHBondContact O-N 3.07Å; K69-D331 WeakPolarHBondContact CE-O 3.49Å; K69-D331 PolarHBondContact NZ-O 3.39Å; K69-D332 WeakPolarHBondContact CE-OD1 2.91Å; K69-D332 IonicContact NZ-OD1 2.76Å; K69-D332 PolarHBondContact NZ-OD1 2.89Å; K69-W340 HydrophobicContact CB-CD2 4.35Å; K69-W340 HydrophobicContact CB-CH2 4.47Å; K69-W340 HydrophobicContact CB-CZ2 3.94Å; K69-W340 HydrophobicContact CD-CZ2 4.08Å; K69-W340 HydrophobicContact CG-CH2 3.98Å; K69-W340 HydrophobicContact CG-CZ2 3.66Å
70R87Confident90.8Very high44 Ų4441.9 Ų41.917%0.16619%0.188CC..Hα-helixtrans-64.3-44.7177.7-75.3176-177.2-175.21.2112.3Y38 L66 F67 A68 R73 E74Y38-R70 PolarHBondContact OH-NH1 2.7Å; L66-R70 WeakPolarHBondContact O-CB 3.39Å; L66-R70 VanDerWaalsContact O-CG 3.27Å; L66-R70 WeakPolarHBondContact O-CG 3.43Å; L66-R70 PolarHBondContact O-N 3.19Å; L66-R70 VanDerWaalsContact O-N 3.1Å; F67-R70 PolarHBondContact O-N 3.38Å; A68-R70 PolarHBondContact O-N 2.63Å; R70-R73 PolarHBondContact O-N 2.58Å; R70-E74 WeakPolarHBondContact O-CB 3.26Å; R70-E74 PolarHBondContact O-N 3.36Å
71A90.4Very high91.1Very high5 Ų533.2 Ų33.24%0.04116%0.156CC..Hα-helixtrans-64.4-41.5179.600000111.8P61 F67 A68 L75 F105P61-A71 HydrophobicContact CB-CB 3.74Å; F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 2.74Å; A68-A71 PolarHBondContact O-N 3.39Å; A71-L75 PolarHBondContact O-N 3.21Å; A71-L75 VanDerWaalsContact O-N 3.09Å; A71-F105 HydrophobicContact CB-CE1 4.16Å; A71-F105 HydrophobicContact CB-CZ 3.92Å
72Y92.8Very high91.1Very high9 Ų942.4 Ų42.44%0.03519%0.19CC..Hα-helixtrans-61.7-49173.5176.6-101.1000112.3A68 E74 L75 R76 W340 V343 E347A68-Y72 WeakPolarHBondContact O-CB 3.18Å; A68-Y72 PolarHBondContact O-N 3.06Å; Y72-E74 PolarHBondContact O-N 3.07Å; Y72-L75 PolarHBondContact O-N 3.27Å; Y72-R76 HydrophobicContact CD1-CG 4.41Å; Y72-R76 HydrophobicContact CE1-CG 4.07Å; Y72-R76 HydrophobicContact CE2-CG 4.26Å; Y72-R76 PolarHBondContact O-N 2.82Å; Y72-R76 WeakPolarHBondContact OH-CD 3.39Å; Y72-W340 AromaticContact CD1-CE3 3.98Å; Y72-W340 HydrophobicContact CD1-CE3 3.98Å; Y72-W340 HydrophobicContact CD1-CH2 4.33Å; Y72-W340 AromaticContact CD1-CZ3 3.36Å; Y72-W340 HydrophobicContact CD1-CZ3 3.36Å; Y72-W340 AromaticContact CE1-CZ3 3.72Å; Y72-W340 HydrophobicContact CE1-CZ3 3.72Å; Y72-W340 AromaticContact CG-CE3 3.94Å; Y72-W340 HydrophobicContact CG-CE3 3.94Å; Y72-W340 AromaticContact CG-CZ3 3.82Å; Y72-W340 HydrophobicContact CG-CZ3 3.82Å; Y72-V343 HydrophobicContact CD2-CB 4.39Å; Y72-V343 HydrophobicContact CD2-CG2 3.71Å; Y72-V343 HydrophobicContact CE2-CB 3.78Å; Y72-V343 HydrophobicContact CE2-CG2 3.48Å; Y72-V343 VanDerWaalsContact CE2-CG2 3.48Å; Y72-V343 HydrophobicContact CG-CG2 4.37Å; Y72-E347 HydrophobicContact CD2-CG 4.28Å; Y72-E347 HydrophobicContact CE2-CG 3.63Å
73R90.1Very high91.1Very high27 Ų2742 Ų4210%0.10219%0.189CC..Hα-helixtrans-60.9-44.2178.9-176.9176.1-57.6172.1-3.1111.9K69 R70 L75 R76 L77 A175 D331 D332K69-R73 WeakPolarHBondContact O-CB 3.37Å; K69-R73 PolarHBondContact O-N 3.07Å; R70-R73 PolarHBondContact O-N 2.58Å; R73-L75 PolarHBondContact O-N 2.93Å; R73-R76 PolarHBondContact O-N 2.77Å; R73-L77 HydrophobicContact CG-CD1 3.79Å; R73-L77 HydrophobicContact CG-CG 4.38Å; R73-L77 WeakPolarHBondContact O-CB 3.35Å; R73-L77 WeakPolarHBondContact O-CG 3.37Å; R73-L77 PolarHBondContact O-N 3.34Å; R73-A175 VanDerWaalsContact CD-O 3.26Å; R73-A175 WeakPolarHBondContact CD-O 3.46Å; R73-D331 WeakPolarHBondContact CG-OD2 3.33Å; R73-D331 IonicContact NE-OD2 3.57Å; R73-D331 PolarHBondContact NH2-O 3.32Å; R73-D332 IonicContact NH2-OD1 3.01Å; R73-D332 PolarHBondContact NH2-OD1 3.43Å
74E90.4Very high91.2Very high11 Ų1142.9 Ų42.95%0.05119%0.193CC..Hα-helixtrans-58.3-47.6175.7-177.7174.4-165.800111K56 R70 Y72 R76 L77 L78 L107K56-E74 VanDerWaalsContact NZ-CD 3.32Å; K56-E74 IonicContact NZ-OE1 2.74Å; K56-E74 PolarHBondContact NZ-OE1 3.25Å; K56-E74 IonicContact NZ-OE2 2.63Å; K56-E74 PolarHBondContact NZ-OE2 3.38Å; R70-E74 WeakPolarHBondContact O-CB 3.26Å; R70-E74 PolarHBondContact O-N 3.36Å; Y72-E74 PolarHBondContact O-N 3.07Å; E74-R76 PolarHBondContact O-N 2.67Å; E74-L77 PolarHBondContact O-N 2.89Å; E74-L78 HydrophobicContact CG-CD1 3.89Å; E74-L78 HydrophobicContact CG-CG 4.48Å; E74-L78 WeakPolarHBondContact O-CB 3.44Å; E74-L78 VanDerWaalsContact O-CG 3.26Å; E74-L78 WeakPolarHBondContact O-CG 2.98Å; E74-L78 PolarHBondContact O-N 3.32Å; E74-L107 HydrophobicContact CG-CD1 4.34Å
75L93.5Very high91.5Very high0 Ų040.9 Ų40.90%018%0.179CC..Hα-helixtrans-59.9-46.8177.1175.157.8000112A71 Y72 R73 L78 K79 L89 V92 L107 T344 E347 V348A71-L75 PolarHBondContact O-N 3.21Å; A71-L75 VanDerWaalsContact O-N 3.09Å; Y72-L75 PolarHBondContact O-N 3.27Å; R73-L75 PolarHBondContact O-N 2.93Å; L75-L78 PolarHBondContact O-N 3.06Å; L75-K79 HydrophobicContact CD1-CD 4.06Å; L75-K79 HydrophobicContact CD1-CG 4.25Å; L75-K79 HydrophobicContact CG-CD 4.25Å; L75-K79 WeakPolarHBondContact O-CG 3.14Å; L75-K79 PolarHBondContact O-N 2.82Å; L75-L89 HydrophobicContact CD1-CD2 3.72Å; L75-V92 HydrophobicContact CD1-CB 4.25Å; L75-V92 HydrophobicContact CD1-CG1 4.21Å; L75-V92 HydrophobicContact CD1-CG2 3.92Å; L75-L107 HydrophobicContact CD1-CD2 3.82Å; L75-T344 HydrophobicContact CD2-CG2 4.26Å; L75-E347 HydrophobicContact CD2-CB 3.6Å; L75-E347 HydrophobicContact CG-CB 4.28Å; L75-V348 HydrophobicContact CD2-CG2 3.79Å
76R92.8Very high91.7Very high35 Ų3535.9 Ų35.913%0.13216%0.156CC..Hα-helixtrans-63.5-44.4179.7-77.5-165.666.4-142.31.3112.7Y72 R73 E74 K79 H80 Y326 D327 D331 E347Y72-R76 HydrophobicContact CD1-CG 4.41Å; Y72-R76 HydrophobicContact CE1-CG 4.07Å; Y72-R76 HydrophobicContact CE2-CG 4.26Å; Y72-R76 PolarHBondContact O-N 2.82Å; Y72-R76 WeakPolarHBondContact OH-CD 3.39Å; R73-R76 PolarHBondContact O-N 2.77Å; E74-R76 PolarHBondContact O-N 2.67Å; R76-K79 PolarHBondContact O-N 3.48Å; R76-H80 WeakPolarHBondContact O-CB 3.29Å; R76-H80 PolarHBondContact O-N 2.9Å; R76-Y326 HydrophobicContact CB-CE2 4.06Å; R76-Y326 VanDerWaalsContact CB-OH 3.26Å; R76-Y326 WeakPolarHBondContact CB-OH 3.13Å; R76-Y326 PolarHBondContact NH1-OH 2.97Å; R76-Y326 VanDerWaalsContact NH1-OH 3.16Å; R76-D327 VanDerWaalsContact CZ-O 3.24Å; R76-D327 PolarHBondContact NH1-O 2.88Å; R76-D327 PolarHBondContact NH2-O 2.99Å; R76-D331 IonicContact CZ-OD1 2.86Å; R76-D331 IonicContact NH1-OD1 3.98Å; R76-D331 PolarHBondContact NH1-OD1 3.13Å; R76-D331 IonicContact NH1-OD2 3.08Å; R76-E347 HydrophobicContact CG-CG 4.37Å
77L91.9Very high92.1Very high1 Ų132.3 Ų32.31%0.00514%0.137CC..Hα-helixtrans-63.2-44.8177.6-72.3170.2000110.9R73 E74 K79 H80 M81 I149 F172 A175 Y326R73-L77 HydrophobicContact CG-CD1 3.79Å; R73-L77 HydrophobicContact CG-CG 4.38Å; R73-L77 WeakPolarHBondContact O-CB 3.35Å; R73-L77 WeakPolarHBondContact O-CG 3.37Å; R73-L77 PolarHBondContact O-N 3.34Å; E74-L77 PolarHBondContact O-N 2.89Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 3.07Å; L77-H80 PolarHBondContact O-N 3.26Å; L77-M81 HydrophobicContact CD2-CE 4.02Å; L77-M81 VanDerWaalsContact O-CG 3.28Å; L77-M81 WeakPolarHBondContact O-CG 3.39Å; L77-M81 PolarHBondContact O-N 3.47Å; L77-I149 HydrophobicContact CD2-CD1 3.83Å; L77-I149 HydrophobicContact CD2-CG1 3.87Å; L77-I149 HydrophobicContact CD2-CG2 4.46Å; L77-F172 HydrophobicContact CB-CB 4.03Å; L77-F172 HydrophobicContact CB-CG 4.27Å; L77-F172 HydrophobicContact CD1-CB 3.76Å; L77-F172 HydrophobicContact CD1-CG 4.45Å; L77-A175 HydrophobicContact CD1-CB 3.91Å; L77-Y326 HydrophobicContact CD2-CD1 4.17Å; L77-Y326 HydrophobicContact CD2-CD2 3.73Å; L77-Y326 HydrophobicContact CD2-CE1 4.05Å; L77-Y326 HydrophobicContact CD2-CE2 3.62Å; L77-Y326 HydrophobicContact CD2-CG 3.97Å; L77-Y326 HydrophobicContact CG-CE2 4.1Å
78L93.1Very high92.3Very high4 Ų430.9 Ų30.92%0.02114%0.136CC..Hα-helixtrans-62.5-30.4176.4-72.2170.9000113.5E74 L75 I87 L89 L107 F172E74-L78 HydrophobicContact CG-CD1 3.89Å; E74-L78 HydrophobicContact CG-CG 4.48Å; E74-L78 WeakPolarHBondContact O-CB 3.44Å; E74-L78 VanDerWaalsContact O-CG 3.26Å; E74-L78 WeakPolarHBondContact O-CG 2.98Å; E74-L78 PolarHBondContact O-N 3.32Å; L75-L78 PolarHBondContact O-N 3.06Å; L78-I87 HydrophobicContact CD2-CG2 3.68Å; L78-L89 HydrophobicContact CB-CB 4.28Å; L78-L89 HydrophobicContact CB-CD1 4.5Å; L78-L89 HydrophobicContact CD1-CD1 4.42Å; L78-L107 HydrophobicContact CD1-CD1 3.67Å; L78-L107 HydrophobicContact CD1-CD2 4.44Å; L78-F172 HydrophobicContact CD2-CD2 4.2Å
79K91.9Very high92.5Very high49 Ų4931.3 Ų31.321%0.21314%0.138CC..Hα-helixtrans-73.5-32.8173-73.4177.768.7173.20112.6L75 R76 L77 L89 E347 S350 F351L75-K79 HydrophobicContact CD1-CD 4.06Å; L75-K79 HydrophobicContact CD1-CG 4.25Å; L75-K79 HydrophobicContact CG-CD 4.25Å; L75-K79 WeakPolarHBondContact O-CG 3.14Å; L75-K79 PolarHBondContact O-N 2.82Å; R76-K79 PolarHBondContact O-N 3.48Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 3.07Å; K79-L89 HydrophobicContact CG-CD2 3.9Å; K79-E347 WeakPolarHBondContact CE-OE2 3.2Å; K79-E347 PolarHBondContact NZ-O 3.09Å; K79-E347 IonicContact NZ-OE2 3.78Å; K79-E347 PolarHBondContact NZ-OE2 3.45Å; K79-S350 PolarHBondContact NZ-OG 2.95Å; K79-F351 HydrophobicContact CD-CD2 4.08Å; K79-F351 HydrophobicContact CG-CD2 3.88Å; K79-F351 HydrophobicContact CG-CE2 4.15Å
80H91.8Very high92.7Very high48 Ų4831.9 Ų31.922%0.22214%0.143CC..Hα-helixtrans-78.1-40.4-178-169.979.9000112.7R76 L77 R82 Q324 Y326R76-H80 WeakPolarHBondContact O-CB 3.29Å; R76-H80 PolarHBondContact O-N 2.9Å; L77-H80 PolarHBondContact O-N 3.26Å; H80-R82 PolarHBondContact O-N 2.93Å; H80-Q324 PolarHBondContact CE1-O 3.12Å; H80-Q324 VanDerWaalsContact CE1-O 3.27Å; H80-Q324 PolarHBondContact NE2-O 3.05Å; H80-Y326 HydrophobicContact CB-CD2 3.98Å; H80-Y326 HydrophobicContact CB-CE2 4.39Å; H80-Y326 AromaticContact CG-CD2 3.8Å
81M92Very high93.2Very high3 Ų330.4 Ų30.42%0.01514%0.139CC..  trans-74.1126.6-173.2-62.1-56.6170.800112.2L77 V86 Y143 I144 A147 I149 F172L77-M81 HydrophobicContact CD2-CE 4.02Å; L77-M81 VanDerWaalsContact O-CG 3.28Å; L77-M81 WeakPolarHBondContact O-CG 3.39Å; L77-M81 PolarHBondContact O-N 3.47Å; M81-V86 HydrophobicContact CB-CG1 3.71Å; M81-V86 HydrophobicContact CG-CG1 3.97Å; M81-Y143 HydrophobicContact SD-CD1 4.14Å; M81-Y143 HydrophobicContact SD-CE1 3.75Å; M81-I144 HydrophobicContact SD-CG1 4.46Å; M81-A147 HydrophobicContact CE-CB 4.4Å; M81-I149 HydrophobicContact CE-CB 4.21Å; M81-I149 HydrophobicContact CE-CG1 3.95Å; M81-I149 HydrophobicContact CE-CG2 4.39Å; M81-F172 HydrophobicContact CE-CE1 4.48Å; M81-F172 HydrophobicContact CG-CE2 4.34Å; M81-F172 HydrophobicContact CG-CZ 4.19Å
82R92.2Very high93.5Very high196 Ų19630.3 Ų30.374%0.7414%0.138SC*.  trans-14178.4180-64.5-176.2-177.7-175.40.7109.9H80 Y143H80-R82 PolarHBondContact O-N 2.93Å; R82-Y143 PolarHBondContact N-OH 3.31Å; R82-Y143 PolarHBondContact O-OH 2.92Å
83H93.8Very high93.7Very high20 Ų2030 Ų309%0.09314%0.136CC..  trans-145.8147.2-178.9-174.9-89.9000110N85 V86 Y143H83-N85 VanDerWaalsContact C-N 3.29Å; H83-N85 PolarHBondContact CE1-OD1 3.44Å; H83-N85 PolarHBondContact ND1-N 2.99Å; H83-N85 PolarHBondContact O-N 3.22Å; H83-V86 HydrophobicContact CB-CB 4.02Å; H83-V86 HydrophobicContact CB-CG2 3.93Å; H83-V86 PolarHBondContact O-N 2.98Å; H83-Y143 HydrophobicContact CB-CD1 3.73Å; H83-Y143 HydrophobicContact CB-CD2 3.88Å; H83-Y143 HydrophobicContact CB-CE1 3.99Å; H83-Y143 HydrophobicContact CB-CE2 4.09Å; H83-Y143 HydrophobicContact CB-CG 3.69Å; H83-Y143 AromaticContact CD2-CD2 3.56Å; H83-Y143 AromaticContact CD2-CG 3.71Å; H83-Y143 AromaticContact CG-CD2 4Å; H83-Y143 AromaticContact CG-CG 3.81Å
84E94Very high94.1Very high115 Ų11529.2 Ų29.254%0.53714%0.135SC..THydrogen-bonded Turntrans-61.5-36.4-17864.3-178.714300112.6K139 K168E84-K139 WeakPolarHBondContact OE1-CE 3.34Å; E84-K139 IonicContact OE1-NZ 2.74Å; E84-K139 PolarHBondContact OE1-NZ 3.46Å; E84-K168 WeakPolarHBondContact O-CG 3.49Å; E84-K168 PolarHBondContact O-NZ 3.31Å
85N96.3Very high94.3Very high3 Ų329 Ų292%0.01614%0.135CC..THydrogen-bonded Turntrans-94.814.2178.8-51.8118.3000114.8H83 Q136 L167 I169H83-N85 VanDerWaalsContact C-N 3.29Å; H83-N85 PolarHBondContact CE1-OD1 3.44Å; H83-N85 PolarHBondContact ND1-N 2.99Å; H83-N85 PolarHBondContact O-N 3.22Å; N85-Q136 HydrophobicContact CB-CB 4.5Å; N85-Q136 VanDerWaalsContact CB-O 3.26Å; N85-Q136 WeakPolarHBondContact CB-O 3.5Å; N85-Q136 WeakPolarHBondContact ND2-CB 3.3Å; N85-Q136 WeakPolarHBondContact ND2-CG 3.47Å; N85-Q136 PolarHBondContact ND2-OE1 3.13Å; N85-Q136 VanDerWaalsContact ND2-OE1 3.09Å; N85-L167 VanDerWaalsContact CA-O 3.26Å; N85-L167 WeakPolarHBondContact CA-O 3.43Å; N85-L167 PolarHBondContact ND2-O 3.22Å; N85-L167 VanDerWaalsContact ND2-O 3.07Å; N85-I169 PolarHBondContact O-N 3.35Å
86V96.2Very high94.3Very high3 Ų329.6 Ų29.62%0.01814%0.138CC..BIsolated β-bridgetrans-125.7134.3176.1-179.10000109.2M81 H83 G88 Y143 I144 F172M81-V86 HydrophobicContact CB-CG1 3.71Å; M81-V86 HydrophobicContact CG-CG1 3.97Å; H83-V86 HydrophobicContact CB-CB 4.02Å; H83-V86 HydrophobicContact CB-CG2 3.93Å; H83-V86 PolarHBondContact O-N 2.98Å; V86-G88 PolarHBondContact O-N 3.37Å; V86-Y143 HydrophobicContact CG2-CD1 4.41Å; V86-I144 HydrophobicContact CG1-CD1 4.45Å; V86-I144 HydrophobicContact CG1-CG1 4.5Å; V86-I144 HydrophobicContact CG2-CD1 3.9Å; V86-I144 HydrophobicContact CG2-CG1 3.92Å; V86-F172 HydrophobicContact CG1-CE2 3.75Å; V86-F172 HydrophobicContact CG1-CZ 3.41Å; V86-F172 VanDerWaalsContact CG1-CZ 3.41Å
87I94.8Very high94.1Very high4 Ų434.8 Ų34.82%0.02116%0.163CC..  trans-65.3132.1177.8-158.668.3000110.4L78 M109 P110 K168 I169 L170 F172L78-I87 HydrophobicContact CD2-CG2 3.68Å; I87-M109 HydrophobicContact CD1-CB 4.13Å; I87-M109 HydrophobicContact CG1-CB 3.99Å; I87-M109 HydrophobicContact CG1-CG 4.09Å; I87-M109 HydrophobicContact CG1-SD 3.95Å; I87-P110 HydrophobicContact CD1-CB 4.49Å; I87-P110 HydrophobicContact CD1-CG 4.37Å; I87-K168 HydrophobicContact CD1-CB 4.32Å; I87-K168 HydrophobicContact CD1-CD 3.73Å; I87-I169 WeakPolarHBondContact CB-O 3.42Å; I87-I169 VanDerWaalsContact CG2-O 3.28Å; I87-I169 WeakPolarHBondContact CG2-O 3.28Å; I87-I169 PolarHBondContact N-O 3.04Å; I87-L170 HydrophobicContact CB-CD2 3.76Å; I87-L170 HydrophobicContact CD1-CD2 4.03Å; I87-L170 HydrophobicContact CG1-CD2 3.85Å; I87-L170 HydrophobicContact CG2-CD2 4.05Å; I87-F172 HydrophobicContact CG2-CE2 4.12Å
88G92.3Very high94.2Very high19 Ų1937.5 Ų37.520%0.19618%0.18CC..  trans-120.5168.1177.300000111.4V86 P110V86-G88 PolarHBondContact O-N 3.37Å; G88-P110 WeakPolarHBondContact O-CD 3.47Å
89L94.6Very high94.3Very high10 Ų1039.4 Ų39.45%0.05219%0.19CC..  trans-91.8126.6-178.4-15660.9000111.3L75 L78 K79 D91 V92 L107 M109 F351L75-L89 HydrophobicContact CD1-CD2 3.72Å; L78-L89 HydrophobicContact CB-CB 4.28Å; L78-L89 HydrophobicContact CB-CD1 4.5Å; L78-L89 HydrophobicContact CD1-CD1 4.42Å; K79-L89 HydrophobicContact CG-CD2 3.9Å; L89-D91 WeakPolarHBondContact CD1-O 3.26Å; L89-D91 WeakPolarHBondContact CG-O 3.42Å; L89-V92 HydrophobicContact CD2-CB 3.95Å; L89-V92 HydrophobicContact CD2-CG1 4.02Å; L89-L107 HydrophobicContact CD1-CB 3.9Å; L89-L107 HydrophobicContact CD1-CD2 3.84Å; L89-L107 HydrophobicContact CD1-CG 4.47Å; L89-L107 HydrophobicContact CD2-CD2 4.44Å; L89-M109 HydrophobicContact CD1-CG 4.5Å; L89-F351 HydrophobicContact CB-CE2 3.97Å; L89-F351 HydrophobicContact CB-CZ 4.12Å; L89-F351 HydrophobicContact CD2-CD2 3.92Å; L89-F351 HydrophobicContact CD2-CE2 3.63Å; L89-F351 HydrophobicContact CD2-CZ 4.19Å; L89-F351 HydrophobicContact CG-CE2 3.95Å; L89-F351 HydrophobicContact CG-CZ 4.05Å
90L95.6Very high94.4Very high64 Ų6443.6 Ų43.634%0.33522%0.215SC..SBendtrans-90.6-39.8172-61.7179.7000111.6V53 V108 P110 P354V53-L90 HydrophobicContact CG1-CD1 3.91Å; L90-V108 HydrophobicContact CB-CG1 4.35Å; L90-V108 PolarHBondContact N-O 3.14Å; L90-P110 HydrophobicContact CD1-CG 4.12Å; L90-P110 HydrophobicContact CD2-CG 4.26Å; L90-P110 HydrophobicContact CG-CG 4.18Å; L90-P354 HydrophobicContact CD2-CG 4.49Å
91D96.8Very high94.5Very high13 Ų1345.3 Ų45.37%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-152.1157.6176.2-168.525.4000110.2R24 Y27 L89 V108R24-D91 IonicContact NE-OD2 3.28Å; R24-D91 PolarHBondContact NE-OD2 3.19Å; Y27-D91 WeakPolarHBondContact OH-CB 3.38Å; Y27-D91 PolarHBondContact OH-OD2 3.04Å; L89-D91 WeakPolarHBondContact CD1-O 3.26Å; L89-D91 WeakPolarHBondContact CG-O 3.42Å; D91-V108 HydrophobicContact CB-CB 3.82Å; D91-V108 HydrophobicContact CB-CG2 3.86Å; D91-V108 PolarHBondContact N-O 3.47Å; D91-V108 PolarHBondContact O-N 2.94Å
92V97.4Very high94.6Very high3 Ų345.2 Ų45.22%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-141136.7165.655.60000108.6L75 L89 F105 Y106 L107 V348 F351L75-V92 HydrophobicContact CD1-CB 4.25Å; L75-V92 HydrophobicContact CD1-CG1 4.21Å; L75-V92 HydrophobicContact CD1-CG2 3.92Å; L89-V92 HydrophobicContact CD2-CB 3.95Å; L89-V92 HydrophobicContact CD2-CG1 4.02Å; V92-F105 HydrophobicContact CG2-CD2 4.14Å; V92-Y106 VanDerWaalsContact CA-O 3.32Å; V92-Y106 WeakPolarHBondContact CA-O 3.45Å; V92-Y106 WeakPolarHBondContact CG2-O 3.4Å; V92-L107 HydrophobicContact CB-CD2 4.36Å; V92-L107 HydrophobicContact CG2-CD2 3.92Å; V92-V348 HydrophobicContact CG2-CB 4.36Å; V92-V348 HydrophobicContact CG2-CG1 4.13Å; V92-V348 HydrophobicContact CG2-CG2 3.84Å; V92-F351 HydrophobicContact CG1-CB 3.31Å; V92-F351 HydrophobicContact CG1-CD1 3.83Å; V92-F351 HydrophobicContact CG1-CD2 3.91Å; V92-F351 HydrophobicContact CG1-CG 3.4Å
93F97.1Very high94.6Very high1 Ų139.5 Ų39.50%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-150159.6-17866.3-96.4000112.4F11 V23 R24 Y27 I55 F105 Y106 V108F11-F93 AromaticContact CE1-CD2 3.67Å; F11-F93 HydrophobicContact CE1-CD2 3.67Å; F11-F93 HydrophobicContact CE1-CE2 4.02Å; F11-F93 HydrophobicContact CZ-CD2 4.41Å; V23-F93 HydrophobicContact CB-CZ 4.23Å; V23-F93 HydrophobicContact CG1-CZ 3.81Å; V23-F93 HydrophobicContact CG2-CZ 4.22Å; R24-F93 HydrophobicContact CG-CB 4.44Å; R24-F93 HydrophobicContact CG-CD1 4.2Å; R24-F93 HydrophobicContact CG-CD2 4.14Å; R24-F93 HydrophobicContact CG-CE2 4.45Å; R24-F93 HydrophobicContact CG-CG 4.01Å; R24-F93 VanDerWaalsContact NE-CB 3.29Å; Y27-F93 HydrophobicContact CD2-CE1 4.1Å; Y27-F93 HydrophobicContact CE2-CD1 4.26Å; Y27-F93 AromaticContact CE2-CE1 3.87Å; Y27-F93 HydrophobicContact CE2-CE1 3.87Å; I55-F93 HydrophobicContact CG2-CE1 4.45Å; I55-F93 HydrophobicContact CG2-CZ 4.33Å; F93-F105 CarbonylContact O-C 3.51Å; F93-F105 VanDerWaalsContact O-CA 3.28Å; F93-F105 WeakPolarHBondContact O-CA 3.41Å; F93-F105 WeakPolarHBondContact O-CB 3.48Å; F93-Y106 AromaticContact CD2-CD2 3.77Å; F93-Y106 HydrophobicContact CD2-CD2 3.77Å; F93-Y106 HydrophobicContact CD2-CG 4.16Å; F93-Y106 HydrophobicContact CE1-CG 4.39Å; F93-Y106 HydrophobicContact CE2-CD1 4.23Å; F93-Y106 AromaticContact CE2-CD2 3.29Å; F93-Y106 HydrophobicContact CE2-CD2 3.29Å; F93-Y106 HydrophobicContact CE2-CE2 4.03Å; F93-Y106 AromaticContact CE2-CG 3.44Å; F93-Y106 HydrophobicContact CE2-CG 3.44Å; F93-Y106 VanDerWaalsContact CE2-CG 3.44Å; F93-Y106 HydrophobicContact CZ-CD1 4.14Å; F93-Y106 AromaticContact CZ-CD2 3.95Å; F93-Y106 HydrophobicContact CZ-CD2 3.95Å; F93-Y106 AromaticContact CZ-CG 3.56Å; F93-Y106 HydrophobicContact CZ-CG 3.56Å; F93-Y106 PolarHBondContact N-O 3.07Å; F93-Y106 VanDerWaalsContact N-O 3.1Å; F93-Y106 PolarHBondContact O-N 2.95Å; F93-V108 HydrophobicContact CD1-CG2 4.07Å; F93-V108 HydrophobicContact CE1-CG2 3.67Å
94T96.6Very high94.5Very high12 Ų1240.4 Ų40.47%0.07422%0.218CC..  trans-129.2144.2164.9175.40000107.8F11 D96 F102 D104 Y345 V348F11-T94 WeakPolarHBondContact CZ-O 3.41Å; T94-D96 WeakPolarHBondContact OG1-CB 3.29Å; T94-D96 PolarHBondContact OG1-N 2.96Å; T94-D96 PolarHBondContact OG1-OD2 2.88Å; T94-F102 HydrophobicContact CG2-CD2 4.01Å; T94-F102 HydrophobicContact CG2-CE2 4.01Å; T94-D104 WeakPolarHBondContact CB-O 3.19Å; T94-D104 PolarHBondContact OG1-O 2.79Å; T94-Y345 HydrophobicContact CG2-CD2 4.36Å; T94-Y345 HydrophobicContact CG2-CE2 3.88Å; T94-V348 HydrophobicContact CG2-CG1 4.12Å
95P94.5Very high94.6Very high7 Ų734.9 Ų34.95%0.04519%0.192CC..SBendtrans-71.8-14.9168.432.7-37000111.8R8 F11 E22 Y106R8-P95 WeakPolarHBondContact CD-O 3.39Å; R8-P95 PolarHBondContact NE-O 2.84Å; R8-P95 PolarHBondContact NH1-O 3.22Å; F11-P95 HydrophobicContact CD1-CB 3.93Å; F11-P95 HydrophobicContact CE1-CB 3.99Å; F11-P95 HydrophobicContact CG-CB 4.29Å; F11-P95 HydrophobicContact CZ-CB 4.38Å; E22-P95 HydrophobicContact CB-CB 4.25Å; E22-P95 HydrophobicContact CB-CG 4.21Å; E22-P95 HydrophobicContact CG-CB 3.82Å; E22-P95 HydrophobicContact CG-CG 4.32Å; P95-Y106 HydrophobicContact CG-CE2 4.37Å
96D93.9Very high94.7Very high12 Ų1234.9 Ų34.96%0.06419%0.192CC..  trans-77.4124.3-174-57.6-43.9000112.1R8 T94 D101 F102 T103 D104 Y345R8-D96 IonicContact CZ-OD1 3.22Å; R8-D96 VanDerWaalsContact CZ-OD1 3.22Å; R8-D96 IonicContact NH1-OD1 2.68Å; R8-D96 PolarHBondContact NH1-OD1 2.96Å; R8-D96 IonicContact NH2-OD1 2.89Å; R8-D96 PolarHBondContact NH2-OD1 3.36Å; T94-D96 WeakPolarHBondContact OG1-CB 3.29Å; T94-D96 PolarHBondContact OG1-N 2.96Å; T94-D96 PolarHBondContact OG1-OD2 2.88Å; D96-D101 HydrophobicContact CB-CB 4.16Å; D96-F102 HydrophobicContact CB-CB 4.39Å; D96-F102 HydrophobicContact CB-CD2 4.49Å; D96-F102 WeakPolarHBondContact OD2-CA 3.39Å; D96-T103 PolarHBondContact OD2-N 2.84Å; D96-T103 PolarHBondContact OD2-OG1 3.21Å; D96-D104 PolarHBondContact OD2-N 2.78Å; D96-Y345 PolarHBondContact O-OH 3.48Å
97E90.1Very high94.7Very high143 Ų14334.7 Ų34.767%0.66819%0.191SC*.SBendtrans-77.8-23.8-174.6-64.9-177.2-172.900113.3Y345E97-Y345 VanDerWaalsContact C-OH 3.3Å; E97-Y345 PolarHBondContact O-OH 3.27Å; E97-Y345 VanDerWaalsContact O-OH 3.07Å
98T94.1Very high94.8Very high59 Ų5934.5 Ų34.536%0.36219%0.19SC..SBendtrans-127.5160.6-176.876.20000111.4D100 D101 F102 Y345T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 3.09Å; T98-D100 PolarHBondContact OG1-N 3.23Å; T98-D101 PolarHBondContact OG1-N 3.4Å; T98-D101 PolarHBondContact OG1-OD2 3.19Å; T98-F102 PolarHBondContact O-N 3.36Å; T98-Y345 PolarHBondContact N-OH 2.88Å
99L94.7Very high95Very high44 Ų4434.6 Ų34.623%0.2319%0.185CC..THydrogen-bonded Turntrans-63.3-34.4173.8176.160.9000111.9D101 F102 K341 R342 Y345L99-D101 VanDerWaalsContact C-N 3.33Å; L99-D101 PolarHBondContact O-N 3.34Å; L99-F102 HydrophobicContact CD1-CD1 4.41Å; L99-F102 WeakPolarHBondContact O-CB 3.18Å; L99-F102 PolarHBondContact O-N 3.2Å; L99-K341 HydrophobicContact CD1-CG 4.16Å; L99-K341 WeakPolarHBondContact O-CE 3.39Å; L99-K341 PolarHBondContact O-NZ 3.29Å; L99-R342 HydrophobicContact CD1-CB 4.35Å; L99-R342 HydrophobicContact CD2-CB 4.02Å; L99-R342 HydrophobicContact CD2-CG 3.83Å; L99-Y345 HydrophobicContact CB-CD1 4.03Å; L99-Y345 HydrophobicContact CB-CE1 4.14Å; L99-Y345 HydrophobicContact CD1-CD1 4.02Å; L99-Y345 HydrophobicContact CD1-CG 3.96Å
100D93.7Very high95Very high137 Ų13735.8 Ų35.873%0.73319%0.194SC*.THydrogen-bonded Turntrans-64.5-42.9-176.6-63.2-22.9000110.2T98 F102 K341T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 3.09Å; T98-D100 PolarHBondContact OG1-N 3.23Å; D100-F102 VanDerWaalsContact C-N 3.31Å; D100-F102 PolarHBondContact O-N 2.9Å; D100-K341 PolarHBondContact O-NZ 2.67Å
101D93.3Very high95Very high84 Ų8435.2 Ų35.245%0.44919%0.189SC..THydrogen-bonded Turntrans-78.1-12.1178.1-59.4-49.4000114.2D96 T98 L99 T103D96-D101 HydrophobicContact CB-CB 4.16Å; T98-D101 PolarHBondContact OG1-N 3.4Å; T98-D101 PolarHBondContact OG1-OD2 3.19Å; L99-D101 VanDerWaalsContact C-N 3.33Å; L99-D101 PolarHBondContact O-N 3.34Å; D101-T103 WeakPolarHBondContact O-CG2 3.08Å; D101-T103 PolarHBondContact O-N 3.03Å; D101-T103 PolarHBondContact O-OG1 3.23Å
102F95.4Very high94.9Very high0 Ų035.4 Ų35.40%019%0.189CC..  trans-63.2108.9-170.9177.5-131.2000112.5F62 T94 D96 T98 L99 D100 F105 K341 T344 Y345 V348F62-F102 HydrophobicContact CE1-CE1 4.24Å; F62-F102 AromaticContact CE2-CD1 3.82Å; F62-F102 HydrophobicContact CE2-CD1 3.82Å; F62-F102 AromaticContact CE2-CE1 3.48Å; F62-F102 HydrophobicContact CE2-CE1 3.48Å; F62-F102 VanDerWaalsContact CE2-CE1 3.48Å; F62-F102 HydrophobicContact CE2-CE2 4.24Å; F62-F102 HydrophobicContact CE2-CG 4.35Å; F62-F102 AromaticContact CE2-CZ 3.72Å; F62-F102 HydrophobicContact CE2-CZ 3.72Å; F62-F102 AromaticContact CZ-CD1 3.93Å; F62-F102 HydrophobicContact CZ-CD1 3.93Å; F62-F102 AromaticContact CZ-CE1 3.21Å; F62-F102 HydrophobicContact CZ-CE1 3.21Å; F62-F102 HydrophobicContact CZ-CE2 4.49Å; F62-F102 AromaticContact CZ-CZ 3.55Å; F62-F102 HydrophobicContact CZ-CZ 3.55Å; T94-F102 HydrophobicContact CG2-CD2 4.01Å; T94-F102 HydrophobicContact CG2-CE2 4.01Å; D96-F102 HydrophobicContact CB-CB 4.39Å; D96-F102 HydrophobicContact CB-CD2 4.49Å; D96-F102 WeakPolarHBondContact OD2-CA 3.39Å; T98-F102 PolarHBondContact O-N 3.36Å; L99-F102 HydrophobicContact CD1-CD1 4.41Å; L99-F102 WeakPolarHBondContact O-CB 3.18Å; L99-F102 PolarHBondContact O-N 3.2Å; D100-F102 VanDerWaalsContact C-N 3.31Å; D100-F102 PolarHBondContact O-N 2.9Å; F102-F105 HydrophobicContact CE2-CB 3.96Å; F102-F105 HydrophobicContact CE2-CD1 4.21Å; F102-F105 HydrophobicContact CE2-CG 4.49Å; F102-F105 HydrophobicContact CZ-CB 4.25Å; F102-F105 AromaticContact CZ-CD1 3.82Å; F102-F105 HydrophobicContact CZ-CD1 3.82Å; F102-F105 HydrophobicContact CZ-CG 4.33Å; F102-K341 HydrophobicContact CD1-CG 3.65Å; F102-K341 HydrophobicContact CE1-CG 4.3Å; F102-K341 WeakPolarHBondContact O-CD 3.32Å; F102-K341 WeakPolarHBondContact O-CE 3.24Å; F102-K341 PolarHBondContact O-NZ 3.48Å; F102-T344 HydrophobicContact CE1-CG2 4.2Å; F102-T344 HydrophobicContact CZ-CG2 4.17Å; F102-Y345 HydrophobicContact CB-CD2 3.82Å; F102-Y345 HydrophobicContact CB-CE2 4.05Å; F102-Y345 AromaticContact CD1-CD2 3.57Å; F102-Y345 HydrophobicContact CD1-CD2 3.57Å; F102-Y345 AromaticContact CD1-CG 3.97Å; F102-Y345 HydrophobicContact CD1-CG 3.97Å; F102-Y345 AromaticContact CD2-CD2 3.67Å; F102-Y345 HydrophobicContact CD2-CD2 3.67Å; F102-Y345 HydrophobicContact CD2-CE2 4.08Å; F102-Y345 AromaticContact CE1-CD2 3.96Å; F102-Y345 HydrophobicContact CE1-CD2 3.96Å; F102-Y345 HydrophobicContact CE1-CG 4.33Å; F102-Y345 HydrophobicContact CE2-CD2 4.06Å; F102-Y345 AromaticContact CG-CD2 3.41Å; F102-Y345 HydrophobicContact CG-CD2 3.41Å; F102-Y345 VanDerWaalsContact CG-CD2 3.41Å; F102-Y345 HydrophobicContact CG-CE2 4Å; F102-Y345 HydrophobicContact CG-CG 4.21Å; F102-Y345 HydrophobicContact CZ-CD2 4.2Å; F102-V348 HydrophobicContact CZ-CG2 4.36Å
103T91.9Very high94.6Very high76 Ų7637.4 Ų37.447%0.46621%0.21SC..  trans-128.8-36.9-174.749.40000112.5P61 D96 D101P61-T103 WeakPolarHBondContact CG-O 3.27Å; D96-T103 PolarHBondContact OD2-N 2.84Å; D96-T103 PolarHBondContact OD2-OG1 3.21Å; D101-T103 WeakPolarHBondContact O-CG2 3.08Å; D101-T103 PolarHBondContact O-N 3.03Å; D101-T103 PolarHBondContact O-OG1 3.23Å
104D91.6Very high94.4Very high39 Ų3939.6 Ų39.621%0.20922%0.224CC..  trans-125.9144.7-177-73.9-30.1000110.5K57 T94 D96 Y106K57-D104 WeakPolarHBondContact CE-OD2 3.4Å; K57-D104 IonicContact NZ-OD2 2.79Å; K57-D104 PolarHBondContact NZ-OD2 3.02Å; T94-D104 WeakPolarHBondContact CB-O 3.19Å; T94-D104 PolarHBondContact OG1-O 2.79Å; D96-D104 PolarHBondContact OD2-N 2.78Å; D104-Y106 HydrophobicContact CB-CE2 4.38Å
105F96.3Very high94.3Very high0 Ų040.4 Ų40.40%023%0.228CC..  trans-140.3161.7163.166.3-81000111L58 P61 F62 A71 V92 F93 F102 L107 T344 V348L58-F105 HydrophobicContact CD2-CE2 4.19Å; L58-F105 HydrophobicContact CG-CE1 4.3Å; L58-F105 HydrophobicContact CG-CE2 4.05Å; L58-F105 HydrophobicContact CG-CZ 3.89Å; L58-F105 PolarHBondContact N-O 3.46Å; P61-F105 HydrophobicContact CB-CE1 3.88Å; P61-F105 HydrophobicContact CG-CD1 4.12Å; P61-F105 HydrophobicContact CG-CE1 3.9Å; F62-F105 HydrophobicContact CE2-CD1 4.49Å; F62-F105 HydrophobicContact CZ-CD1 4.23Å; F62-F105 HydrophobicContact CZ-CE1 4.08Å; A71-F105 HydrophobicContact CB-CE1 4.16Å; A71-F105 HydrophobicContact CB-CZ 3.92Å; V92-F105 HydrophobicContact CG2-CD2 4.14Å; F93-F105 CarbonylContact O-C 3.51Å; F93-F105 VanDerWaalsContact O-CA 3.28Å; F93-F105 WeakPolarHBondContact O-CA 3.41Å; F93-F105 WeakPolarHBondContact O-CB 3.48Å; F102-F105 HydrophobicContact CE2-CB 3.96Å; F102-F105 HydrophobicContact CE2-CD1 4.21Å; F102-F105 HydrophobicContact CE2-CG 4.49Å; F102-F105 HydrophobicContact CZ-CB 4.25Å; F102-F105 AromaticContact CZ-CD1 3.82Å; F102-F105 HydrophobicContact CZ-CD1 3.82Å; F102-F105 HydrophobicContact CZ-CG 4.33Å; F105-L107 HydrophobicContact CD2-CD2 4.18Å; F105-L107 HydrophobicContact CD2-CG 4.47Å; F105-L107 HydrophobicContact CE2-CD2 3.96Å; F105-L107 HydrophobicContact CE2-CG 4.26Å; F105-T344 HydrophobicContact CD1-CG2 4.37Å; F105-T344 HydrophobicContact CE1-CG2 3.86Å; F105-T344 HydrophobicContact CZ-CG2 4.07Å; F105-V348 HydrophobicContact CB-CG2 4.29Å; F105-V348 HydrophobicContact CD2-CG2 4.35Å; F105-V348 HydrophobicContact CG-CG2 4.32Å
106Y97.1Very high94.4Very high2 Ų240.1 Ų40.11%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-126.4136-171.8-59.7-102.9000109.2W21 E22 V23 I55 K56 K57 V92 F93 P95 D104W21-Y106 HydrophobicContact CD2-CE1 4.19Å; W21-Y106 AromaticContact CE3-CD1 3.93Å; W21-Y106 HydrophobicContact CE3-CD1 3.93Å; W21-Y106 AromaticContact CE3-CE1 3.6Å; W21-Y106 HydrophobicContact CE3-CE1 3.6Å; W21-Y106 HydrophobicContact CZ3-CD1 4.02Å; W21-Y106 HydrophobicContact CZ3-CE1 4.12Å; E22-Y106 PolarHBondContact N-OH 3.26Å; E22-Y106 WeakPolarHBondContact O-CE2 3.32Å; V23-Y106 HydrophobicContact CG2-CD1 4.34Å; V23-Y106 HydrophobicContact CG2-CE1 4.11Å; I55-Y106 HydrophobicContact CG2-CD1 4.04Å; I55-Y106 HydrophobicContact CG2-CG 4.49Å; K56-Y106 CarbonylContact O-C 3.54Å; K56-Y106 VanDerWaalsContact O-CA 3.31Å; K56-Y106 WeakPolarHBondContact O-CA 3.07Å; K57-Y106 HydrophobicContact CB-CD1 3.74Å; K57-Y106 HydrophobicContact CB-CE1 3.61Å; K57-Y106 HydrophobicContact CD-CE1 3.66Å; K57-Y106 HydrophobicContact CG-CD1 4.09Å; K57-Y106 HydrophobicContact CG-CE1 3.6Å; K57-Y106 PolarHBondContact NZ-OH 3.37Å; V92-Y106 VanDerWaalsContact CA-O 3.32Å; V92-Y106 WeakPolarHBondContact CA-O 3.45Å; V92-Y106 WeakPolarHBondContact CG2-O 3.4Å; F93-Y106 AromaticContact CD2-CD2 3.77Å; F93-Y106 HydrophobicContact CD2-CD2 3.77Å; F93-Y106 HydrophobicContact CD2-CG 4.16Å; F93-Y106 HydrophobicContact CE1-CG 4.39Å; F93-Y106 HydrophobicContact CE2-CD1 4.23Å; F93-Y106 AromaticContact CE2-CD2 3.29Å; F93-Y106 HydrophobicContact CE2-CD2 3.29Å; F93-Y106 HydrophobicContact CE2-CE2 4.03Å; F93-Y106 AromaticContact CE2-CG 3.44Å; F93-Y106 HydrophobicContact CE2-CG 3.44Å; F93-Y106 VanDerWaalsContact CE2-CG 3.44Å; F93-Y106 HydrophobicContact CZ-CD1 4.14Å; F93-Y106 AromaticContact CZ-CD2 3.95Å; F93-Y106 HydrophobicContact CZ-CD2 3.95Å; F93-Y106 AromaticContact CZ-CG 3.56Å; F93-Y106 HydrophobicContact CZ-CG 3.56Å; F93-Y106 PolarHBondContact N-O 3.07Å; F93-Y106 VanDerWaalsContact N-O 3.1Å; F93-Y106 PolarHBondContact O-N 2.95Å; P95-Y106 HydrophobicContact CG-CE2 4.37Å; D104-Y106 HydrophobicContact CB-CE2 4.38Å
107L96.6Very high94.3Very high0 Ų040.2 Ų40.20%023%0.23CC..EExtended strand (participates in β ladder)trans-106.1126.3175.8-57.6171.4000108.7I55 K56 L58 E74 L75 L78 L89 V92 F105I55-L107 CarbonylContact C-O 3.58Å; I55-L107 WeakPolarHBondContact CA-O 3.37Å; K56-L107 HydrophobicContact CB-CB 4.36Å; K56-L107 HydrophobicContact CD-CD1 4.49Å; K56-L107 PolarHBondContact N-O 3.14Å; K56-L107 PolarHBondContact O-N 2.79Å; L58-L107 HydrophobicContact CD2-CD1 3.75Å; L58-L107 HydrophobicContact CD2-CG 3.93Å; E74-L107 HydrophobicContact CG-CD1 4.34Å; L75-L107 HydrophobicContact CD1-CD2 3.82Å; L78-L107 HydrophobicContact CD1-CD1 3.67Å; L78-L107 HydrophobicContact CD1-CD2 4.44Å; L89-L107 HydrophobicContact CD1-CB 3.9Å; L89-L107 HydrophobicContact CD1-CD2 3.84Å; L89-L107 HydrophobicContact CD1-CG 4.47Å; L89-L107 HydrophobicContact CD2-CD2 4.44Å; V92-L107 HydrophobicContact CB-CD2 4.36Å; V92-L107 HydrophobicContact CG2-CD2 3.92Å; F105-L107 HydrophobicContact CD2-CD2 4.18Å; F105-L107 HydrophobicContact CD2-CG 4.47Å; F105-L107 HydrophobicContact CE2-CD2 3.96Å; F105-L107 HydrophobicContact CE2-CG 4.26Å
108V97.3Very high94.5Very high0 Ų037.5 Ų37.50%022%0.216CC..EExtended strand (participates in β ladder)trans-107.3125.6177.4-172.30000109.2Y27 V53 A54 I55 L90 D91 F93Y27-V108 HydrophobicContact CE1-CG1 3.92Å; Y27-V108 HydrophobicContact CE2-CG2 3.96Å; V53-V108 HydrophobicContact CB-CG1 3.8Å; V53-V108 HydrophobicContact CG1-CG1 4.2Å; V53-V108 HydrophobicContact CG2-CG1 3.9Å; A54-V108 CarbonylContact O-C 3.6Å; A54-V108 WeakPolarHBondContact O-CA 3.5Å; I55-V108 HydrophobicContact CG1-CG1 4.37Å; I55-V108 HydrophobicContact CG1-CG2 4.22Å; I55-V108 HydrophobicContact CG2-CG2 4.37Å; L90-V108 HydrophobicContact CB-CG1 4.35Å; L90-V108 PolarHBondContact N-O 3.14Å; D91-V108 HydrophobicContact CB-CB 3.82Å; D91-V108 HydrophobicContact CB-CG2 3.86Å; D91-V108 PolarHBondContact N-O 3.47Å; D91-V108 PolarHBondContact O-N 2.94Å; F93-V108 HydrophobicContact CD1-CG2 4.07Å; F93-V108 HydrophobicContact CE1-CG2 3.67Å
109M96.1Very high94.5Very high20 Ų2035.3 Ų35.310%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-132.1162.7-174.3-63.3164.6-70.800110.2A54 K56 I87 L89 F111A54-M109 PolarHBondContact N-O 3.2Å; A54-M109 PolarHBondContact O-N 3.1Å; K56-M109 HydrophobicContact CB-CE 3.76Å; I87-M109 HydrophobicContact CD1-CB 4.13Å; I87-M109 HydrophobicContact CG1-CB 3.99Å; I87-M109 HydrophobicContact CG1-CG 4.09Å; I87-M109 HydrophobicContact CG1-SD 3.95Å; L89-M109 HydrophobicContact CD1-CG 4.5Å; M109-F111 PolarHBondContact O-N 2.89Å
110P95.3Very high94.4Very high36 Ų3634.7 Ų34.723%0.23420%0.198CC..EExtended strand (participates in β ladder)trans-55.7134.3169.8-23.434.4000111.3I87 G88 L90I87-P110 HydrophobicContact CD1-CB 4.49Å; I87-P110 HydrophobicContact CD1-CG 4.37Å; G88-P110 WeakPolarHBondContact O-CD 3.47Å; L90-P110 HydrophobicContact CD1-CG 4.12Å; L90-P110 HydrophobicContact CD2-CG 4.26Å; L90-P110 HydrophobicContact CG-CG 4.18Å
111F95.9Very high94.3Very high52 Ų5236.5 Ų36.523%0.22820%0.2CC..  trans-82.7123.7173.3-177.6-103.8000110V33 K52 A54 M109V33-F111 HydrophobicContact CG2-CE2 3.93Å; K52-F111 HydrophobicContact CB-CB 4.22Å; K52-F111 HydrophobicContact CB-CD1 4.24Å; K52-F111 HydrophobicContact CD-CD1 3.52Å; K52-F111 HydrophobicContact CD-CE1 3.71Å; K52-F111 HydrophobicContact CD-CG 4.19Å; K52-F111 HydrophobicContact CG-CB 4.03Å; K52-F111 HydrophobicContact CG-CD1 3.71Å; K52-F111 HydrophobicContact CG-CE1 4.35Å; K52-F111 HydrophobicContact CG-CG 3.9Å; K52-F111 WeakPolarHBondContact O-CB 3.33Å; K52-F111 PolarHBondContact O-N 2.8Å; A54-F111 HydrophobicContact CB-CD2 4.24Å; M109-F111 PolarHBondContact O-N 2.89Å
112M94.9Very high94.1Very high16 Ų1640.3 Ų40.38%0.07921%0.214CC..  trans-104.21.2-176.4-62.2-62.6-63.900113.4T114 A160 V161 N162 E166 K168M112-T114 PolarHBondContact O-N 3.46Å; M112-T114 VanDerWaalsContact O-N 3.14Å; M112-A160 HydrophobicContact CB-CB 3.54Å; M112-A160 HydrophobicContact CG-CB 3.7Å; M112-V161 CarbonylContact O-C 3.57Å; M112-N162 HydrophobicContact CE-CB 4.15Å; M112-N162 WeakPolarHBondContact O-CA 3.45Å; M112-N162 WeakPolarHBondContact O-CB 3.43Å; M112-N162 PolarHBondContact O-N 2.92Å; M112-E166 HydrophobicContact CE-CB 4.33Å; M112-E166 WeakPolarHBondContact CE-O 3.44Å; M112-K168 HydrophobicContact CE-CB 4.44Å; M112-K168 HydrophobicContact CE-CD 4.18Å; M112-K168 HydrophobicContact CE-CG 3.94Å; M112-K168 HydrophobicContact CG-CD 4.24Å; M112-K168 HydrophobicContact SD-CD 3.62Å; M112-K168 VanDerWaalsContact SD-CE 3.6Å; M112-K168 HydrophobicContact SD-CG 4.06Å
113G90.9Very high93.8Very high45 Ų4545.1 Ų45.146%0.46424%0.237SC..SBendtrans87.9-73.5179.900000113.4
114T92.9Very high93.7Very high48 Ų4851.2 Ų51.229%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-134.8177.7-176.1-164.30000112.7M112 L119 A160 V161M112-T114 PolarHBondContact O-N 3.46Å; M112-T114 VanDerWaalsContact O-N 3.14Å; T114-L119 HydrophobicContact CG2-CB 4.2Å; T114-L119 HydrophobicContact CG2-CD1 4.29Å; T114-A160 WeakPolarHBondContact O-CA 3.09Å; T114-V161 WeakPolarHBondContact CG2-O 3.16Å; T114-V161 PolarHBondContact N-O 3.43Å; T114-V161 PolarHBondContact O-N 3.47Å
115D94Very high93.9Very high29 Ų2950.4 Ų50.416%0.15525%0.253CS..EExtended strand (participates in β ladder)trans-110.1154168.563.783.9000110.7G117 K118 L119 L159D115-G117 PolarHBondContact O-N 2.67Å; D115-G117 WeakPolarHBondContact OD1-CA 3.45Å; D115-G117 PolarHBondContact OD1-N 3.11Å; D115-K118 PolarHBondContact O-N 3.04Å; D115-K118 VanDerWaalsContact O-N 3.13Å; D115-K118 PolarHBondContact OD1-N 2.94Å; D115-K118 WeakPolarHBondContact OD2-CD 3.23Å; D115-K118 WeakPolarHBondContact OD2-CE 3.45Å; D115-K118 WeakPolarHBondContact OD2-CG 3.4Å; D115-K118 IonicContact OD2-NZ 3.77Å; D115-K118 PolarHBondContact OD2-NZ 3.43Å; D115-L119 PolarHBondContact O-N 2.97Å; D115-L159 CarbonylContact C-O 3.6Å; D115-L159 VanDerWaalsContact CA-O 3.28Å; D115-L159 WeakPolarHBondContact CA-O 3.47Å
116L96.1Very high93.8Very high0 Ų052.6 Ų52.60%028%0.275CS..Hα-helixtrans-58.5-34.3-177.5-176.664.5000111.5K118 L119 M120 L125 L133 P156 L159 V161 I215 M219L116-K118 PolarHBondContact O-N 3.18Å; L116-L119 HydrophobicContact CD1-CD2 4.02Å; L116-L119 PolarHBondContact O-N 3.34Å; L116-M120 HydrophobicContact CD1-CG 4.01Å; L116-M120 HydrophobicContact CD1-SD 4.1Å; L116-M120 HydrophobicContact CD2-SD 4.09Å; L116-M120 HydrophobicContact CG-CG 4.12Å; L116-M120 HydrophobicContact CG-SD 3.64Å; L116-M120 WeakPolarHBondContact O-CB 3.5Å; L116-M120 VanDerWaalsContact O-CG 3.23Å; L116-M120 WeakPolarHBondContact O-CG 3.46Å; L116-M120 PolarHBondContact O-N 3.43Å; L116-L125 HydrophobicContact CD1-CD1 4.3Å; L116-L133 HydrophobicContact CD1-CD1 3.96Å; L116-P156 HydrophobicContact CB-CB 4.31Å; L116-P156 WeakPolarHBondContact CB-O 3.43Å; L116-P156 HydrophobicContact CG-CB 4.44Å; L116-P156 PolarHBondContact N-O 3.21Å; L116-L159 HydrophobicContact CB-CB 3.89Å; L116-L159 HydrophobicContact CD2-CB 4.38Å; L116-L159 HydrophobicContact CD2-CD1 3.61Å; L116-L159 PolarHBondContact N-O 3.13Å; L116-V161 HydrophobicContact CB-CG2 4.21Å; L116-V161 HydrophobicContact CD1-CG2 4.45Å; L116-I215 HydrophobicContact CD2-CG2 3.66Å; L116-M219 HydrophobicContact CD1-SD 4.01Å; L116-M219 HydrophobicContact CD2-SD 3.92Å; L116-M219 HydrophobicContact CG-SD 4.48Å
117G93.3Very high93.7Very high15 Ų1555.2 Ų55.216%0.15529%0.287CS..Hα-helixtrans-64.3-36.5178.600000113.8D115 K121 P156D115-G117 PolarHBondContact O-N 2.67Å; D115-G117 WeakPolarHBondContact OD1-CA 3.45Å; D115-G117 PolarHBondContact OD1-N 3.11Å; G117-K121 WeakPolarHBondContact O-CG 3.31Å; G117-P156 VanDerWaalsContact CA-CB 3.44Å; G117-P156 PolarHBondContact N-O 3.4Å
118K92.3Very high93.6Very high86 Ų8661.4 Ų61.437%0.37432%0.32SS..Hα-helixtrans-73.2-44170.5-70.8175.1-169.3150.70111.4D115 L116 M120 K121 H122D115-K118 PolarHBondContact O-N 3.04Å; D115-K118 VanDerWaalsContact O-N 3.13Å; D115-K118 PolarHBondContact OD1-N 2.94Å; D115-K118 WeakPolarHBondContact OD2-CD 3.23Å; D115-K118 WeakPolarHBondContact OD2-CE 3.45Å; D115-K118 WeakPolarHBondContact OD2-CG 3.4Å; D115-K118 IonicContact OD2-NZ 3.77Å; D115-K118 PolarHBondContact OD2-NZ 3.43Å; L116-K118 PolarHBondContact O-N 3.18Å; K118-M120 VanDerWaalsContact C-N 3.35Å; K118-M120 PolarHBondContact O-N 2.85Å; K118-K121 WeakPolarHBondContact O-CB 3.4Å; K118-K121 PolarHBondContact O-N 2.8Å; K118-H122 PolarHBondContact O-CD2 3.4Å; K118-H122 PolarHBondContact O-N 3.15Å
119L94.1Very high93.6Very high12 Ų1263.8 Ų63.86%0.06333%0.329CS..Hα-helixtrans-58.1-45.4-178.2178.6158.2000111.8T114 D115 L116 K121 H122 E123 L125 V161T114-L119 HydrophobicContact CG2-CB 4.2Å; T114-L119 HydrophobicContact CG2-CD1 4.29Å; D115-L119 PolarHBondContact O-N 2.97Å; L116-L119 HydrophobicContact CD1-CD2 4.02Å; L116-L119 PolarHBondContact O-N 3.34Å; L119-K121 PolarHBondContact O-N 3.3Å; L119-H122 PolarHBondContact O-N 3.22Å; L119-H122 VanDerWaalsContact O-N 3.1Å; L119-E123 PolarHBondContact O-N 3.02Å; L119-L125 HydrophobicContact CD2-CD1 3.92Å; L119-L125 HydrophobicContact CD2-CD2 3.58Å; L119-L125 HydrophobicContact CD2-CG 4.04Å; L119-V161 HydrophobicContact CD1-CB 4.12Å; L119-V161 HydrophobicContact CD1-CG1 3.86Å
120M94.3Very high93.6Very high31 Ų3162.9 Ų62.915%0.15333%0.325CS..Hα-helixtrans-65.9-18.8177.3-68.1167.861.400114.3L116 K118 L125 P156 E218 M219L116-M120 HydrophobicContact CD1-CG 4.01Å; L116-M120 HydrophobicContact CD1-SD 4.1Å; L116-M120 HydrophobicContact CD2-SD 4.09Å; L116-M120 HydrophobicContact CG-CG 4.12Å; L116-M120 HydrophobicContact CG-SD 3.64Å; L116-M120 WeakPolarHBondContact O-CB 3.5Å; L116-M120 VanDerWaalsContact O-CG 3.23Å; L116-M120 WeakPolarHBondContact O-CG 3.46Å; L116-M120 PolarHBondContact O-N 3.43Å; K118-M120 VanDerWaalsContact C-N 3.35Å; K118-M120 PolarHBondContact O-N 2.85Å; M120-L125 HydrophobicContact CG-CD1 4.03Å; M120-P156 HydrophobicContact SD-CB 4.42Å; M120-P156 HydrophobicContact SD-CG 4.49Å; M120-E218 HydrophobicContact CE-CB 3.75Å; M120-E218 HydrophobicContact CE-CG 3.32Å; M120-M219 HydrophobicContact CE-CB 4.4Å; M120-M219 HydrophobicContact CE-CG 3.78Å; M120-M219 HydrophobicContact CG-CG 4.2Å; M120-M219 HydrophobicContact SD-CG 3.62Å
121K91.9Very high93.8Very high176 Ų17662.5 Ų62.577%0.76532%0.32SS*.Hα-helixtrans-84.2-26.8174.3-70.2173.4-176.6175.70112.7G117 K118 L119G117-K121 WeakPolarHBondContact O-CG 3.31Å; K118-K121 WeakPolarHBondContact O-CB 3.4Å; K118-K121 PolarHBondContact O-N 2.8Å; L119-K121 PolarHBondContact O-N 3.3Å
122H88.9Confident93.8Very high163 Ų16363.5 Ų63.576%0.75532%0.324SS*.Hα-helixtrans-96.6-26.7-176.2-68.4-58.6000112.7K118 L119K118-H122 PolarHBondContact O-CD2 3.4Å; K118-H122 PolarHBondContact O-N 3.15Å; L119-H122 PolarHBondContact O-N 3.22Å; L119-H122 VanDerWaalsContact O-N 3.1Å
123E88.9Confident94Very high102 Ų10262.7 Ų62.748%0.47732%0.32SS..  trans-138.5143-173.2-159.7-172.6147.500111.7L119 R129L119-E123 PolarHBondContact O-N 3.02Å; E123-R129 IonicContact OE1-NH1 2.7Å; E123-R129 PolarHBondContact OE1-NH1 3.2Å; E123-R129 IonicContact OE2-CZ 2.86Å; E123-R129 IonicContact OE2-NH1 2.73Å; E123-R129 PolarHBondContact OE2-NH1 3.34Å; E123-R129 IonicContact OE2-NH2 3.07Å
124K90.1Very high94.3Very high204 Ų20460.6 Ų60.689%0.88730%0.298SS*.PPolyproline II helixtrans-84.5129.2166.8-69.1-174.7179-178.40109
125L93.9Very high94.6Very high22 Ų2259.3 Ų59.312%0.11529%0.288CS..PPolyproline II helixtrans-87.6129.5-178.4-65.1175.9000111L116 L119 M120 R129 I130 L133 M219L116-L125 HydrophobicContact CD1-CD1 4.3Å; L119-L125 HydrophobicContact CD2-CD1 3.92Å; L119-L125 HydrophobicContact CD2-CD2 3.58Å; L119-L125 HydrophobicContact CD2-CG 4.04Å; M120-L125 HydrophobicContact CG-CD1 4.03Å; L125-R129 HydrophobicContact CD2-CB 4.5Å; L125-R129 VanDerWaalsContact CD2-CD 3.45Å; L125-R129 HydrophobicContact CD2-CG 3.91Å; L125-I130 HydrophobicContact CB-CD1 4.13Å; L125-I130 HydrophobicContact CB-CG1 3.71Å; L125-L133 HydrophobicContact CD1-CD1 4.05Å; L125-M219 HydrophobicContact CD1-CB 4.11Å; L125-M219 HydrophobicContact CD1-CG 3.78Å; L125-M219 HydrophobicContact CD1-SD 3.71Å
126G94.9Very high94.7Very high45 Ų4558.4 Ų58.446%0.46428%0.283SS..PPolyproline II helixtrans-77.1159.3169.400000112D128 R129 I130G126-D128 VanDerWaalsContact C-N 3.34Å; G126-D128 PolarHBondContact O-N 3.33Å; G126-R129 PolarHBondContact O-N 3.38Å; G126-I130 WeakPolarHBondContact O-CG1 3.49Å; G126-I130 PolarHBondContact O-N 2.93Å
127E94.7Very high94.8Very high58 Ų5858.4 Ų58.427%0.27128%0.283SS..Hα-helixtrans-52.4-47.1-175.6-172.775.6170.600112.6R129 I130 Q131 S281 Y310E127-R129 VanDerWaalsContact C-N 3.27Å; E127-R129 PolarHBondContact O-N 2.67Å; E127-I130 WeakPolarHBondContact O-CB 3.45Å; E127-I130 PolarHBondContact O-N 2.9Å; E127-I130 VanDerWaalsContact O-N 3.13Å; E127-Q131 WeakPolarHBondContact O-CB 3.34Å; E127-Q131 PolarHBondContact O-N 3.25Å; E127-S281 VanDerWaalsContact OE1-CB 3.31Å; E127-S281 WeakPolarHBondContact OE1-CB 3.43Å; E127-S281 PolarHBondContact OE1-OG 3.37Å; E127-Y310 VanDerWaalsContact OE1-CE2 3.25Å; E127-Y310 WeakPolarHBondContact OE1-CE2 3.44Å; E127-Y310 PolarHBondContact OE1-OH 3.09Å
128D95.8Very high95.1Very high130 Ų13057.7 Ų57.770%0.69528%0.276SS*.Hα-helixtrans-60.5-37.5-179.5-59.7-20.5000112.1G126 F132G126-D128 VanDerWaalsContact C-N 3.34Å; G126-D128 PolarHBondContact O-N 3.33Å; D128-F132 WeakPolarHBondContact O-CB 3.41Å; D128-F132 PolarHBondContact O-N 2.93Å
129R96.1Very high95.2Very high49 Ų4955.3 Ų55.319%0.18527%0.265CS..Hα-helixtrans-73.1-37.7178-168.7167.7178.4-167.614.1111.3E123 L125 G126 E127 F132 L133 C165E123-R129 IonicContact OE1-NH1 2.7Å; E123-R129 PolarHBondContact OE1-NH1 3.2Å; E123-R129 IonicContact OE2-CZ 2.86Å; E123-R129 IonicContact OE2-NH1 2.73Å; E123-R129 PolarHBondContact OE2-NH1 3.34Å; E123-R129 IonicContact OE2-NH2 3.07Å; L125-R129 HydrophobicContact CD2-CB 4.5Å; L125-R129 VanDerWaalsContact CD2-CD 3.45Å; L125-R129 HydrophobicContact CD2-CG 3.91Å; G126-R129 PolarHBondContact O-N 3.38Å; E127-R129 VanDerWaalsContact C-N 3.27Å; E127-R129 PolarHBondContact O-N 2.67Å; R129-F132 PolarHBondContact O-N 3.21Å; R129-L133 HydrophobicContact CG-CD1 4.03Å; R129-L133 HydrophobicContact CG-CG 4.47Å; R129-L133 WeakPolarHBondContact O-CB 3.43Å; R129-L133 WeakPolarHBondContact O-CD1 3.39Å; R129-L133 WeakPolarHBondContact O-CG 3.31Å; R129-L133 PolarHBondContact O-N 3.27Å; R129-C165 VanDerWaalsContact CZ-SG 3.5Å; R129-C165 PolarHBondContact NE-SG 3.38Å; R129-C165 PolarHBondContact NH2-SG 2.86Å; R129-C165 VanDerWaalsContact NH2-SG 3.37Å
130I97.4Very high95.3Very high2 Ų254.7 Ų54.71%0.0126%0.262CS..Hα-helixtrans-62.1-49.8172.7-64.7176.8000109.6L125 G126 E127 F132 L133 V134 M216 M219 I220L125-I130 HydrophobicContact CB-CD1 4.13Å; L125-I130 HydrophobicContact CB-CG1 3.71Å; G126-I130 WeakPolarHBondContact O-CG1 3.49Å; G126-I130 PolarHBondContact O-N 2.93Å; E127-I130 WeakPolarHBondContact O-CB 3.45Å; E127-I130 PolarHBondContact O-N 2.9Å; E127-I130 VanDerWaalsContact O-N 3.13Å; I130-F132 VanDerWaalsContact C-N 3.32Å; I130-F132 PolarHBondContact O-N 3.25Å; I130-L133 PolarHBondContact O-N 3.43Å; I130-V134 HydrophobicContact CG2-CG2 4.22Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 3.49Å; I130-M216 HydrophobicContact CG2-CG 4.36Å; I130-M219 HydrophobicContact CD1-CB 4.06Å; I130-M219 HydrophobicContact CG1-CB 4.02Å; I130-M219 HydrophobicContact CG2-CB 4.42Å; I130-M219 HydrophobicContact CG2-CE 4.22Å; I130-I220 HydrophobicContact CD1-CB 4.46Å; I130-I220 HydrophobicContact CD1-CG1 3.82Å; I130-I220 HydrophobicContact CG2-CG1 4.28Å
131Q97.8Very high95.4Very high28 Ų2853.2 Ų53.213%0.13126%0.255CS..Hα-helixtrans-53.3-50.3176.7-171.1-163.556.200110.6E127 Y135 Y310 F311 S313 L314E127-Q131 WeakPolarHBondContact O-CB 3.34Å; E127-Q131 PolarHBondContact O-N 3.25Å; Q131-Y135 WeakPolarHBondContact O-CB 3.46Å; Q131-Y135 PolarHBondContact O-N 3.42Å; Q131-Y310 HydrophobicContact CB-CE1 4.04Å; Q131-Y310 HydrophobicContact CG-CD1 4.34Å; Q131-Y310 HydrophobicContact CG-CE1 3.98Å; Q131-Y310 WeakPolarHBondContact CG-O 3.39Å; Q131-Y310 PolarHBondContact NE2-O 3.49Å; Q131-F311 HydrophobicContact CG-CD1 3.88Å; Q131-F311 HydrophobicContact CG-CE1 4.28Å; Q131-F311 WeakPolarHBondContact O-CE1 3.43Å; Q131-S313 PolarHBondContact NE2-OG 2.91Å; Q131-S313 PolarHBondContact OE1-OG 3.48Å; Q131-S313 VanDerWaalsContact OE1-OG 3.08Å; Q131-L314 HydrophobicContact CG-CD1 3.83Å
132F97.3Very high95.6Very high72 Ų7247 Ų4732%0.31623%0.227SC..Hα-helixtrans-66.3-41-179-172.3-125.4000113.7D128 R129 I130 Q136 C165 L314D128-F132 WeakPolarHBondContact O-CB 3.41Å; D128-F132 PolarHBondContact O-N 2.93Å; R129-F132 PolarHBondContact O-N 3.21Å; I130-F132 VanDerWaalsContact C-N 3.32Å; I130-F132 PolarHBondContact O-N 3.25Å; F132-Q136 VanDerWaalsContact CD1-NE2 3.28Å; F132-Q136 HydrophobicContact CE2-CG 4.32Å; F132-Q136 HydrophobicContact CZ-CG 4.43Å; F132-Q136 WeakPolarHBondContact O-CG 3.33Å; F132-Q136 PolarHBondContact O-N 2.72Å; F132-Q136 VanDerWaalsContact O-N 3.13Å; F132-Q136 PolarHBondContact O-NE2 2.98Å; F132-C165 HydrophobicContact CD1-CB 4.09Å; F132-C165 HydrophobicContact CE1-CB 4.25Å; F132-C165 WeakPolarHBondContact CE1-O 3.44Å; F132-L314 HydrophobicContact CB-CD1 4.36Å; F132-L314 HydrophobicContact CD2-CD1 4.14Å; F132-L314 HydrophobicContact CD2-CD2 4.17Å
133L98.1Very high95.9Very high0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-67.2-45.6177.7-71.7168000111.6L116 L125 R129 I130 Y135 Q136 M137 V161 L167 M219L116-L133 HydrophobicContact CD1-CD1 3.96Å; L125-L133 HydrophobicContact CD1-CD1 4.05Å; R129-L133 HydrophobicContact CG-CD1 4.03Å; R129-L133 HydrophobicContact CG-CG 4.47Å; R129-L133 WeakPolarHBondContact O-CB 3.43Å; R129-L133 WeakPolarHBondContact O-CD1 3.39Å; R129-L133 WeakPolarHBondContact O-CG 3.31Å; R129-L133 PolarHBondContact O-N 3.27Å; I130-L133 PolarHBondContact O-N 3.43Å; L133-Y135 VanDerWaalsContact C-N 3.34Å; L133-Q136 PolarHBondContact O-N 2.9Å; L133-M137 VanDerWaalsContact O-CG 3.26Å; L133-M137 WeakPolarHBondContact O-CG 3.48Å; L133-M137 PolarHBondContact O-N 2.97Å; L133-V161 HydrophobicContact CD2-CG1 3.99Å; L133-V161 HydrophobicContact CD2-CG2 4.06Å; L133-L167 HydrophobicContact CD2-CB 4.22Å; L133-L167 HydrophobicContact CD2-CD1 3.99Å; L133-M219 HydrophobicContact CB-SD 4.43Å; L133-M219 HydrophobicContact CD1-SD 4.12Å
134V98.4Very high96.2Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-65.8-39.6178.3-178.80000110.8I130 Q136 M137 L138 V212 M216 M219 F311I130-V134 HydrophobicContact CG2-CG2 4.22Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 3.49Å; V134-Q136 VanDerWaalsContact C-N 3.35Å; V134-Q136 PolarHBondContact O-N 3.44Å; V134-M137 WeakPolarHBondContact O-CB 3.34Å; V134-M137 PolarHBondContact O-N 3.46Å; V134-L138 HydrophobicContact CG1-CD1 4.02Å; V134-L138 HydrophobicContact CG1-CG 4.32Å; V134-L138 WeakPolarHBondContact O-CG 3.48Å; V134-L138 PolarHBondContact O-N 3.16Å; V134-V212 HydrophobicContact CG1-CG1 3.86Å; V134-M216 HydrophobicContact CG1-SD 4.18Å; V134-M216 HydrophobicContact CG2-CB 3.89Å; V134-M216 HydrophobicContact CG2-CG 3.9Å; V134-M216 HydrophobicContact CG2-SD 4.16Å; V134-M219 HydrophobicContact CG2-CE 3.38Å; V134-F311 HydrophobicContact CB-CE1 4.14Å; V134-F311 HydrophobicContact CB-CZ 4.12Å; V134-F311 HydrophobicContact CG1-CE1 4.21Å; V134-F311 HydrophobicContact CG1-CZ 3.67Å
135Y97.8Very high96.4Very high22 Ų2226 Ų269%0.08613%0.131CC..Hα-helixtrans-56.5-48.8175.1-179-105.8000111.5Q131 L133 M137 L138 K139 L306 F311 L314Q131-Y135 WeakPolarHBondContact O-CB 3.46Å; Q131-Y135 PolarHBondContact O-N 3.42Å; L133-Y135 VanDerWaalsContact C-N 3.34Å; Y135-M137 PolarHBondContact O-N 3.47Å; Y135-L138 PolarHBondContact O-N 3.18Å; Y135-K139 HydrophobicContact CD1-CD 3.88Å; Y135-K139 HydrophobicContact CD1-CG 4.46Å; Y135-K139 HydrophobicContact CE1-CD 3.26Å; Y135-K139 HydrophobicContact CE1-CG 4.09Å; Y135-K139 HydrophobicContact CE2-CD 4.47Å; Y135-K139 PolarHBondContact O-N 3.44Å; Y135-L306 HydrophobicContact CD2-CD2 3.55Å; Y135-L306 HydrophobicContact CE2-CD2 3.55Å; Y135-L306 HydrophobicContact CG-CD2 4.38Å; Y135-F311 HydrophobicContact CD2-CB 3.81Å; Y135-F311 AromaticContact CD2-CD1 3.87Å; Y135-F311 HydrophobicContact CD2-CD1 3.87Å; Y135-F311 AromaticContact CD2-CG 3.82Å; Y135-F311 HydrophobicContact CD2-CG 3.82Å; Y135-F311 HydrophobicContact CE2-CB 4.27Å; Y135-F311 HydrophobicContact CG-CD1 4.25Å; Y135-L314 HydrophobicContact CD1-CB 4.13Å; Y135-L314 HydrophobicContact CD1-CD1 4.16Å; Y135-L314 HydrophobicContact CD2-CB 4.21Å; Y135-L314 HydrophobicContact CD2-CD1 4.49Å; Y135-L314 HydrophobicContact CE1-CB 4.17Å; Y135-L314 HydrophobicContact CE2-CB 4.26Å; Y135-L314 HydrophobicContact CG-CB 4.15Å; Y135-L314 HydrophobicContact CG-CD1 3.9Å; Y135-L314 VanDerWaalsContact CZ-O 3.3Å; Y135-L314 PolarHBondContact OH-O 3.5Å
136Q97.6Very high96.4Very high10 Ų1027.7 Ų27.75%0.04715%0.148CC..Hα-helixtrans-63.8-38.7176.7-72.5179.186.500113N85 F132 L133 V134 K139 G140 C165 L167N85-Q136 HydrophobicContact CB-CB 4.5Å; N85-Q136 VanDerWaalsContact CB-O 3.26Å; N85-Q136 WeakPolarHBondContact CB-O 3.5Å; N85-Q136 WeakPolarHBondContact ND2-CB 3.3Å; N85-Q136 WeakPolarHBondContact ND2-CG 3.47Å; N85-Q136 PolarHBondContact ND2-OE1 3.13Å; N85-Q136 VanDerWaalsContact ND2-OE1 3.09Å; F132-Q136 VanDerWaalsContact CD1-NE2 3.28Å; F132-Q136 HydrophobicContact CE2-CG 4.32Å; F132-Q136 HydrophobicContact CZ-CG 4.43Å; F132-Q136 WeakPolarHBondContact O-CG 3.33Å; F132-Q136 PolarHBondContact O-N 2.72Å; F132-Q136 VanDerWaalsContact O-N 3.13Å; F132-Q136 PolarHBondContact O-NE2 2.98Å; L133-Q136 PolarHBondContact O-N 2.9Å; V134-Q136 VanDerWaalsContact C-N 3.35Å; V134-Q136 PolarHBondContact O-N 3.44Å; Q136-K139 PolarHBondContact O-N 2.99Å; Q136-G140 PolarHBondContact O-N 3.31Å; Q136-C165 PolarHBondContact NE2-O 3.45Å; Q136-L167 HydrophobicContact CB-CB 4.02Å; Q136-L167 HydrophobicContact CB-CD2 4.39Å
137M98.3Very high96.3Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-59.3-46.6173.6-70168.961.300111.2L133 V134 Y135 G140 L141 L154 L159 L167 V212 I215L133-M137 VanDerWaalsContact O-CG 3.26Å; L133-M137 WeakPolarHBondContact O-CG 3.48Å; L133-M137 PolarHBondContact O-N 2.97Å; V134-M137 WeakPolarHBondContact O-CB 3.34Å; V134-M137 PolarHBondContact O-N 3.46Å; Y135-M137 PolarHBondContact O-N 3.47Å; M137-G140 PolarHBondContact O-N 3.46Å; M137-L141 WeakPolarHBondContact O-CB 3.42Å; M137-L141 WeakPolarHBondContact O-CG 3.36Å; M137-L141 PolarHBondContact O-N 3.4Å; M137-L154 HydrophobicContact CE-CD2 4.08Å; M137-L159 HydrophobicContact CE-CD1 3.52Å; M137-L159 HydrophobicContact CE-CD2 4.39Å; M137-L159 HydrophobicContact CG-CD1 4.25Å; M137-L159 HydrophobicContact CG-CD2 4.02Å; M137-L159 HydrophobicContact SD-CD1 3.67Å; M137-L167 HydrophobicContact CG-CD1 3.56Å; M137-L167 HydrophobicContact CG-CD2 3.84Å; M137-L167 HydrophobicContact CG-CG 4.38Å; M137-L167 HydrophobicContact SD-CD1 4.19Å; M137-V212 HydrophobicContact CE-CB 4.35Å; M137-V212 HydrophobicContact CE-CG1 4.2Å; M137-V212 HydrophobicContact CE-CG2 4.01Å; M137-I215 HydrophobicContact CE-CB 4.16Å; M137-I215 HydrophobicContact CE-CD1 3.8Å; M137-I215 HydrophobicContact CE-CG2 3.95Å; M137-I215 HydrophobicContact SD-CG2 4.3Å
138L97.8Very high96.2Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-68.9-38.9-179.9-68.2170.2000112.2V134 Y135 L141 R142 I209 V212 M291 A305 L306 F311V134-L138 HydrophobicContact CG1-CD1 4.02Å; V134-L138 HydrophobicContact CG1-CG 4.32Å; V134-L138 WeakPolarHBondContact O-CG 3.48Å; V134-L138 PolarHBondContact O-N 3.16Å; Y135-L138 PolarHBondContact O-N 3.18Å; L138-L141 PolarHBondContact O-N 2.83Å; L138-R142 WeakPolarHBondContact O-CB 3.31Å; L138-R142 PolarHBondContact O-N 3.11Å; L138-I209 HydrophobicContact CD2-CD1 3.94Å; L138-V212 HydrophobicContact CD2-CG1 4.14Å; L138-V212 HydrophobicContact CD2-CG2 4.37Å; L138-V212 HydrophobicContact CG-CG1 4.43Å; L138-M291 HydrophobicContact CD1-CE 3.89Å; L138-M291 HydrophobicContact CD2-CE 3.96Å; L138-M291 HydrophobicContact CG-CE 4.41Å; L138-A305 HydrophobicContact CD1-CB 3.79Å; L138-A305 HydrophobicContact CD2-CB 3.99Å; L138-L306 HydrophobicContact CB-CD1 4.34Å; L138-L306 HydrophobicContact CB-CD2 3.66Å; L138-L306 HydrophobicContact CB-CG 3.75Å; L138-F311 HydrophobicContact CD1-CD2 4.48Å; L138-F311 HydrophobicContact CD1-CE2 3.47Å; L138-F311 VanDerWaalsContact CD1-CE2 3.47Å; L138-F311 HydrophobicContact CD1-CZ 3.63Å
139K95.9Very high95.9Very high35 Ų3518 Ų1815%0.15210%0.095CC..Hα-helixtrans-57.7-49.4172.4-80.4-175.356.6175.40111.4E84 Y135 Q136 R142 Y143 L306E84-K139 WeakPolarHBondContact OE1-CE 3.34Å; E84-K139 IonicContact OE1-NZ 2.74Å; E84-K139 PolarHBondContact OE1-NZ 3.46Å; Y135-K139 HydrophobicContact CD1-CD 3.88Å; Y135-K139 HydrophobicContact CD1-CG 4.46Å; Y135-K139 HydrophobicContact CE1-CD 3.26Å; Y135-K139 HydrophobicContact CE1-CG 4.09Å; Y135-K139 HydrophobicContact CE2-CD 4.47Å; Y135-K139 PolarHBondContact O-N 3.44Å; Q136-K139 PolarHBondContact O-N 2.99Å; K139-R142 PolarHBondContact O-N 2.89Å; K139-Y143 PolarHBondContact O-N 2.99Å; K139-L306 HydrophobicContact CG-CD1 4.22Å; K139-L306 HydrophobicContact CG-CD2 3.83Å
140G96.2Very high95.7Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-61.1-44.4176.500000112.7Q136 M137 Y143 I144Q136-G140 PolarHBondContact O-N 3.31Å; M137-G140 PolarHBondContact O-N 3.46Å; G140-Y143 WeakPolarHBondContact O-CB 3.32Å; G140-Y143 PolarHBondContact O-N 3.34Å; G140-I144 VanDerWaalsContact O-CG1 3.3Å; G140-I144 WeakPolarHBondContact O-CG1 3.28Å; G140-I144 PolarHBondContact O-N 3.13Å
141L96.6Very high95.4Very high0 Ų015.8 Ų15.80%09%0.086CC..Hα-helixtrans-65.1-41.4178.1-78.7177.6000112.8M137 L138 Y143 I144 H145 H151 L154 I169 D208 V212 A302M137-L141 WeakPolarHBondContact O-CB 3.42Å; M137-L141 WeakPolarHBondContact O-CG 3.36Å; M137-L141 PolarHBondContact O-N 3.4Å; L138-L141 PolarHBondContact O-N 2.83Å; L141-Y143 VanDerWaalsContact C-N 3.26Å; L141-Y143 PolarHBondContact O-N 3.25Å; L141-I144 HydrophobicContact CD2-CD1 4.43Å; L141-I144 PolarHBondContact O-N 2.8Å; L141-I144 VanDerWaalsContact O-N 3.15Å; L141-H145 VanDerWaalsContact O-CB 3.31Å; L141-H145 WeakPolarHBondContact O-CB 3.42Å; L141-H145 PolarHBondContact O-CD2 2.9Å; L141-H145 PolarHBondContact O-N 2.94Å; L141-H151 HydrophobicContact CD2-CB 4.36Å; L141-L154 HydrophobicContact CD1-CD2 4.02Å; L141-I169 HydrophobicContact CD2-CD1 4.23Å; L141-I169 HydrophobicContact CG-CD1 4.03Å; L141-D208 HydrophobicContact CD1-CB 4.02Å; L141-D208 HydrophobicContact CD2-CB 3.84Å; L141-V212 HydrophobicContact CD1-CG2 3.36Å; L141-A302 HydrophobicContact CB-CB 4.26Å
142R95.6Very high94.9Very high45 Ų4515.5 Ų15.517%0.178%0.084CC..Hα-helixtrans-57.1-43.4175.3-177.4-176.862-166.82.9111.1L138 K139 H145 A146 A302 A303 L306 E320L138-R142 WeakPolarHBondContact O-CB 3.31Å; L138-R142 PolarHBondContact O-N 3.11Å; K139-R142 PolarHBondContact O-N 2.89Å; R142-H145 PolarHBondContact O-N 3.33Å; R142-A146 VanDerWaalsContact O-CB 3.29Å; R142-A146 WeakPolarHBondContact O-CB 3.37Å; R142-A146 PolarHBondContact O-N 3.49Å; R142-A302 HydrophobicContact CB-CB 3.87Å; R142-A303 HydrophobicContact CG-CB 4.47Å; R142-L306 HydrophobicContact CB-CD1 4.19Å; R142-L306 VanDerWaalsContact NH1-CD1 3.35Å; R142-E320 IonicContact CZ-OE1 3.97Å; R142-E320 IonicContact CZ-OE2 3.62Å; R142-E320 IonicContact NE-OE2 3.65Å; R142-E320 PolarHBondContact NE-OE2 3.02Å; R142-E320 IonicContact NH1-OE1 2.64Å; R142-E320 PolarHBondContact NH1-OE1 3.31Å; R142-E320 IonicContact NH1-OE2 2.73Å; R142-E320 PolarHBondContact NH1-OE2 3.18Å; R142-E320 VanDerWaalsContact NH1-OE2 3.07Å; R142-E320 VanDerWaalsContact NH2-CG 3.33Å; R142-E320 IonicContact NH2-OE1 3.42Å; R142-E320 PolarHBondContact NH2-OE1 2.95Å; R142-E320 IonicContact NH2-OE2 3.07Å; R142-E320 PolarHBondContact NH2-OE2 3.03Å; R142-E320 VanDerWaalsContact NH2-OE2 3.07Å
143Y95.1Very high94.4Very high17 Ų1712.6 Ų12.67%0.0677%0.072CC..Hα-helixtrans-62.3-46.2175.6-178.1-86000111.9M81 R82 H83 V86 K139 G140 L141 H145 A146 A147 P321 V323M81-Y143 HydrophobicContact SD-CD1 4.14Å; M81-Y143 HydrophobicContact SD-CE1 3.75Å; R82-Y143 PolarHBondContact N-OH 3.31Å; R82-Y143 PolarHBondContact O-OH 2.92Å; H83-Y143 HydrophobicContact CB-CD1 3.73Å; H83-Y143 HydrophobicContact CB-CD2 3.88Å; H83-Y143 HydrophobicContact CB-CE1 3.99Å; H83-Y143 HydrophobicContact CB-CE2 4.09Å; H83-Y143 HydrophobicContact CB-CG 3.69Å; H83-Y143 AromaticContact CD2-CD2 3.56Å; H83-Y143 AromaticContact CD2-CG 3.71Å; H83-Y143 AromaticContact CG-CD2 4Å; H83-Y143 AromaticContact CG-CG 3.81Å; V86-Y143 HydrophobicContact CG2-CD1 4.41Å; K139-Y143 PolarHBondContact O-N 2.99Å; G140-Y143 WeakPolarHBondContact O-CB 3.32Å; G140-Y143 PolarHBondContact O-N 3.34Å; L141-Y143 VanDerWaalsContact C-N 3.26Å; L141-Y143 PolarHBondContact O-N 3.25Å; Y143-H145 PolarHBondContact O-N 3.14Å; Y143-A146 PolarHBondContact O-N 3.03Å; Y143-A147 PolarHBondContact O-N 3.19Å; Y143-P321 HydrophobicContact CD2-CG 4.17Å; Y143-P321 HydrophobicContact CE2-CB 4.34Å; Y143-P321 HydrophobicContact CE2-CG 4.39Å; Y143-V323 HydrophobicContact CD2-CB 4.1Å; Y143-V323 HydrophobicContact CD2-CG1 4.44Å; Y143-V323 HydrophobicContact CE1-CB 4.27Å; Y143-V323 HydrophobicContact CE1-CG2 3.78Å; Y143-V323 HydrophobicContact CE2-CB 3.58Å; Y143-V323 HydrophobicContact CE2-CG1 4.4Å; Y143-V323 HydrophobicContact CE2-CG2 3.93Å; Y143-V323 VanDerWaalsContact CZ-CG2 3.42Å; Y143-V323 VanDerWaalsContact OH-CG2 3.31Å; Y143-V323 WeakPolarHBondContact OH-CG2 3.32Å
144I95Very high94.1Very high0 Ų012.7 Ų12.70%07%0.072CC..Hα-helixtrans-61.2-44.8178-67.1163000110.9M81 V86 G140 L141 A147 I149 I169 F172M81-I144 HydrophobicContact SD-CG1 4.46Å; V86-I144 HydrophobicContact CG1-CD1 4.45Å; V86-I144 HydrophobicContact CG1-CG1 4.5Å; V86-I144 HydrophobicContact CG2-CD1 3.9Å; V86-I144 HydrophobicContact CG2-CG1 3.92Å; G140-I144 VanDerWaalsContact O-CG1 3.3Å; G140-I144 WeakPolarHBondContact O-CG1 3.28Å; G140-I144 PolarHBondContact O-N 3.13Å; L141-I144 HydrophobicContact CD2-CD1 4.43Å; L141-I144 PolarHBondContact O-N 2.8Å; L141-I144 VanDerWaalsContact O-N 3.15Å; I144-A147 WeakPolarHBondContact O-CB 3.43Å; I144-A147 PolarHBondContact O-N 3.45Å; I144-I149 CarbonylContact C-O 3.42Å; I144-I149 HydrophobicContact CG2-CB 3.82Å; I144-I149 HydrophobicContact CG2-CG2 3.75Å; I144-I149 WeakPolarHBondContact CG2-O 3.31Å; I144-I149 PolarHBondContact O-N 3.18Å; I144-I149 VanDerWaalsContact O-N 3.13Å; I144-I169 HydrophobicContact CD1-CB 4.45Å; I144-I169 HydrophobicContact CD1-CD1 3.88Å; I144-I169 HydrophobicContact CD1-CG2 4.14Å; I144-F172 HydrophobicContact CD1-CE1 3.8Å; I144-F172 HydrophobicContact CD1-CZ 3.91Å; I144-F172 HydrophobicContact CG1-CE1 4.1Å; I144-F172 HydrophobicContact CG1-CZ 4.28Å; I144-F172 HydrophobicContact CG2-CE1 4.4Å
145H94.8Very high93.9Very high11 Ų1114.7 Ų14.75%0.0518%0.081CC..Hα-helixtrans-66.9-39.5179.6-67178.3000111.9L141 R142 Y143 A147 G148 I149 Q205 D208L141-H145 VanDerWaalsContact O-CB 3.31Å; L141-H145 WeakPolarHBondContact O-CB 3.42Å; L141-H145 PolarHBondContact O-CD2 2.9Å; L141-H145 PolarHBondContact O-N 2.94Å; R142-H145 PolarHBondContact O-N 3.33Å; Y143-H145 PolarHBondContact O-N 3.14Å; H145-A147 PolarHBondContact O-N 3.13Å; H145-G148 WeakPolarHBondContact O-CA 3.45Å; H145-G148 PolarHBondContact O-N 2.97Å; H145-I149 PolarHBondContact CD2-O 2.89Å; H145-Q205 HydrophobicContact CB-CB 4.42Å; H145-Q205 PolarHBondContact CE1-O 3.4Å; H145-Q205 PolarHBondContact NE2-O 3.24Å; H145-D208 IonicContact CD2-OD2 2.73Å; H145-D208 IonicContact CE1-OD2 2.85Å; H145-D208 IonicContact NE2-OD2 3.34Å; H145-D208 PolarHBondContact NE2-OD2 2.87Å
146A93.7Very high93.8Very high57 Ų5713.9 Ų13.947%0.4718%0.079SC..Hα-helixtrans-62.7-29.417400000112.6R142 Y143 G148 V323R142-A146 VanDerWaalsContact O-CB 3.29Å; R142-A146 WeakPolarHBondContact O-CB 3.37Å; R142-A146 PolarHBondContact O-N 3.49Å; Y143-A146 PolarHBondContact O-N 3.03Å; A146-G148 PolarHBondContact O-N 3.22Å; A146-V323 HydrophobicContact CB-CG1 3.54Å
147A93.1Very high93.5Very high0 Ų015.1 Ų15.10%09%0.094CC..THydrogen-bonded Turntrans-75.1-2.5171.500000113.5M81 Y143 I144 H145 I149 V323 Y326M81-A147 HydrophobicContact CE-CB 4.4Å; Y143-A147 PolarHBondContact O-N 3.19Å; I144-A147 WeakPolarHBondContact O-CB 3.43Å; I144-A147 PolarHBondContact O-N 3.45Å; H145-A147 PolarHBondContact O-N 3.13Å; A147-I149 HydrophobicContact CB-CG1 4.46Å; A147-V323 HydrophobicContact CB-CG1 4.09Å; A147-V323 HydrophobicContact CB-CG2 3.77Å; A147-Y326 PolarHBondContact O-N 2.9Å
148G91Very high93.3Very high29 Ų2915.8 Ų15.830%0.29910%0.098SC..THydrogen-bonded Turntrans80.113.5-176.500000114.1H145 A146 Q177H145-G148 WeakPolarHBondContact O-CA 3.45Å; H145-G148 PolarHBondContact O-N 2.97Å; A146-G148 PolarHBondContact O-N 3.22Å; G148-Q177 WeakPolarHBondContact O-CG 3.34Å
149I91.4Very high93.2Very high2 Ų215.8 Ų15.81%0.0110%0.098CC..  trans-101.3142.8-177.6-61.8-59000110.3L77 M81 I144 H145 A147 A175 Y326L77-I149 HydrophobicContact CD2-CD1 3.83Å; L77-I149 HydrophobicContact CD2-CG1 3.87Å; L77-I149 HydrophobicContact CD2-CG2 4.46Å; M81-I149 HydrophobicContact CE-CB 4.21Å; M81-I149 HydrophobicContact CE-CG1 3.95Å; M81-I149 HydrophobicContact CE-CG2 4.39Å; I144-I149 CarbonylContact C-O 3.42Å; I144-I149 HydrophobicContact CG2-CB 3.82Å; I144-I149 HydrophobicContact CG2-CG2 3.75Å; I144-I149 WeakPolarHBondContact CG2-O 3.31Å; I144-I149 PolarHBondContact O-N 3.18Å; I144-I149 VanDerWaalsContact O-N 3.13Å; H145-I149 PolarHBondContact CD2-O 2.89Å; A147-I149 HydrophobicContact CB-CG1 4.46Å; I149-A175 HydrophobicContact CG2-CB 3.81Å; I149-Y326 HydrophobicContact CD1-CD1 3.62Å; I149-Y326 HydrophobicContact CD1-CE1 4.35Å; I149-Y326 HydrophobicContact CD1-CG 3.92Å; I149-Y326 HydrophobicContact CG1-CD1 4.49Å; I149-Y326 HydrophobicContact CG1-CG 4.31Å
150I90.9Very high93.2Very high3 Ų314.4 Ų14.42%0.0159%0.093CC..BIsolated β-bridgetrans-111.9133.7168.8-50.8-176.2000108.3R152 A175 R176 A178 Q205 V207 D208I150-R152 HydrophobicContact CB-CG 3.91Å; I150-R152 HydrophobicContact CG2-CG 3.45Å; I150-R152 VanDerWaalsContact CG2-CG 3.45Å; I150-A175 VanDerWaalsContact O-CA 3.26Å; I150-A175 WeakPolarHBondContact O-CA 3.4Å; I150-A175 WeakPolarHBondContact O-CB 3.39Å; I150-R176 PolarHBondContact N-O 3.47Å; I150-R176 PolarHBondContact O-N 3.16Å; I150-A178 VanDerWaalsContact CD1-CA 3.49Å; I150-A178 HydrophobicContact CD1-CB 3.82Å; I150-Q205 HydrophobicContact CG1-CB 4.34Å; I150-V207 HydrophobicContact CG2-CG2 3.4Å; I150-D208 WeakPolarHBondContact CG2-OD2 3.48Å
151H91.6Very high93.2Very high0 Ų014.4 Ų14.40%09%0.093CC..  trans-72.2-45.7-177.8-174.1-76.2000112.3L141 D153 L154 I169 L170 D208L141-H151 HydrophobicContact CD2-CB 4.36Å; H151-D153 VanDerWaalsContact CE1-C 3.46Å; H151-D153 PolarHBondContact CE1-O 3.07Å; H151-D153 VanDerWaalsContact ND1-C 3.33Å; H151-D153 PolarHBondContact ND1-N 2.59Å; H151-D153 PolarHBondContact O-N 3.35Å; H151-L154 PolarHBondContact ND1-N 3.42Å; H151-L154 VanDerWaalsContact ND1-N 3.13Å; H151-I169 VanDerWaalsContact CD2-CG2 3.44Å; H151-I169 WeakPolarHBondContact CD2-CG2 3.26Å; H151-L170 PolarHBondContact NE2-O 3.22Å; H151-D208 WeakPolarHBondContact CB-OD1 3.4Å; H151-D208 PolarHBondContact N-OD1 3.28Å; H151-D208 PolarHBondContact N-OD2 3.09Å
152R86.3Confident93.1Very high22 Ų2215.9 Ų15.98%0.08310%0.101CC..  trans66.1-16.7174-56.6-175.3179.9-13210.2117.7I150 R176 Q177 A178 D208I150-R152 HydrophobicContact CB-CG 3.91Å; I150-R152 HydrophobicContact CG2-CG 3.45Å; I150-R152 VanDerWaalsContact CG2-CG 3.45Å; R152-R176 VanDerWaalsContact NE-NE 3.18Å; R152-R176 VanDerWaalsContact NH1-CZ 3.3Å; R152-Q177 PolarHBondContact NH2-O 3.18Å; R152-A178 PolarHBondContact NH2-O 3.02Å; R152-D208 PolarHBondContact N-OD1 3.33Å
153D86.5Confident92.8Very high11 Ų1122.7 Ų22.76%0.05913%0.134CC..  trans-128.340.6176.2-156.158.5000112.3H151 K155 N158 L174 R192H151-D153 VanDerWaalsContact CE1-C 3.46Å; H151-D153 PolarHBondContact CE1-O 3.07Å; H151-D153 VanDerWaalsContact ND1-C 3.33Å; H151-D153 PolarHBondContact ND1-N 2.59Å; H151-D153 PolarHBondContact O-N 3.35Å; D153-K155 PolarHBondContact O-N 3.33Å; D153-K155 IonicContact OD2-NZ 3.45Å; D153-K155 PolarHBondContact OD2-NZ 3.06Å; D153-N158 PolarHBondContact O-ND2 3.4Å; D153-L174 HydrophobicContact CB-CD1 3.97Å; D153-R192 IonicContact OD1-NH2 3.19Å; D153-R192 PolarHBondContact OD1-NH2 3.27Å
154L93.5Very high92.6Very high2 Ų227.8 Ų27.81%0.0116%0.163CC..  trans-71.3126.2178.7-160.376.2000109.7M137 L141 H151 L159 I169 Y191 V212 I215M137-L154 HydrophobicContact CE-CD2 4.08Å; L141-L154 HydrophobicContact CD1-CD2 4.02Å; H151-L154 PolarHBondContact ND1-N 3.42Å; H151-L154 VanDerWaalsContact ND1-N 3.13Å; L154-L159 HydrophobicContact CD1-CD2 3.96Å; L154-I169 HydrophobicContact CD1-CG2 3.97Å; L154-Y191 VanDerWaalsContact O-CB 3.31Å; L154-Y191 WeakPolarHBondContact O-CB 3.28Å; L154-V212 HydrophobicContact CD2-CG2 3.71Å; L154-I215 HydrophobicContact CD2-CD1 4.24Å; L154-I215 HydrophobicContact CG-CD1 4.14Å
155K93.4Very high92.5Very high43 Ų4328.8 Ų28.819%0.18717%0.169CC..  trans-158.4162.5-178.565.7-166.2179.3-148.80109D153 G157 N158 Y191D153-K155 PolarHBondContact O-N 3.33Å; D153-K155 IonicContact OD2-NZ 3.45Å; D153-K155 PolarHBondContact OD2-NZ 3.06Å; K155-G157 PolarHBondContact O-N 3.31Å; K155-G157 VanDerWaalsContact O-N 3.09Å; K155-N158 WeakPolarHBondContact CE-ND2 3.31Å; K155-N158 WeakPolarHBondContact CE-OD1 3.31Å; K155-N158 HydrophobicContact CG-CB 4.17Å; K155-N158 PolarHBondContact O-N 3.2Å; K155-Y191 HydrophobicContact CB-CD2 3.51Å; K155-Y191 HydrophobicContact CB-CE2 3.98Å; K155-Y191 HydrophobicContact CB-CG 4.08Å
156P95.3Very high92.5Very high5 Ų533 Ų333%0.03219%0.189CC..G310 helixtrans-55.4-33.2-177.8-28.336.8000114.4L116 G117 M120 N158 L159 Y191 I215L116-P156 HydrophobicContact CB-CB 4.31Å; L116-P156 WeakPolarHBondContact CB-O 3.43Å; L116-P156 HydrophobicContact CG-CB 4.44Å; L116-P156 PolarHBondContact N-O 3.21Å; G117-P156 VanDerWaalsContact CA-CB 3.44Å; G117-P156 PolarHBondContact N-O 3.4Å; M120-P156 HydrophobicContact SD-CB 4.42Å; M120-P156 HydrophobicContact SD-CG 4.49Å; P156-N158 PolarHBondContact O-N 3.17Å; P156-L159 PolarHBondContact O-N 2.88Å; P156-Y191 VanDerWaalsContact CD-CE2 3.47Å; P156-Y191 HydrophobicContact CG-CE1 3.87Å; P156-Y191 HydrophobicContact CG-CE2 4.34Å; P156-I215 HydrophobicContact CG-CG1 4.19Å; P156-I215 HydrophobicContact CG-CG2 4.48Å
157G91.4Very high92.7Very high36 Ų3630.3 Ų30.337%0.37117%0.167SC..G310 helixtrans-70.5-15176.400000115.1K155K155-G157 PolarHBondContact O-N 3.31Å; K155-G157 VanDerWaalsContact O-N 3.09Å
158N93.7Very high92.9Very high13 Ų1332.2 Ų32.27%0.0718%0.175CC..G310 helixtrans-101.115.2176.5-71-3.2000111.9D153 K155 P156 L170D153-N158 PolarHBondContact O-ND2 3.4Å; K155-N158 WeakPolarHBondContact CE-ND2 3.31Å; K155-N158 WeakPolarHBondContact CE-OD1 3.31Å; K155-N158 HydrophobicContact CG-CB 4.17Å; K155-N158 PolarHBondContact O-N 3.2Å; P156-N158 PolarHBondContact O-N 3.17Å; N158-L170 WeakPolarHBondContact O-CB 3.21Å; N158-L170 PolarHBondContact O-N 3.1Å
159L96.6Very high93.2Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-122100.9177.8-63.5171.2000108D115 L116 M137 L154 P156 L167 I169 I215D115-L159 CarbonylContact C-O 3.6Å; D115-L159 VanDerWaalsContact CA-O 3.28Å; D115-L159 WeakPolarHBondContact CA-O 3.47Å; L116-L159 HydrophobicContact CB-CB 3.89Å; L116-L159 HydrophobicContact CD2-CB 4.38Å; L116-L159 HydrophobicContact CD2-CD1 3.61Å; L116-L159 PolarHBondContact N-O 3.13Å; M137-L159 HydrophobicContact CE-CD1 3.52Å; M137-L159 HydrophobicContact CE-CD2 4.39Å; M137-L159 HydrophobicContact CG-CD1 4.25Å; M137-L159 HydrophobicContact CG-CD2 4.02Å; M137-L159 HydrophobicContact SD-CD1 3.67Å; L154-L159 HydrophobicContact CD1-CD2 3.96Å; P156-L159 PolarHBondContact O-N 2.88Å; L159-L167 HydrophobicContact CB-CD1 4.19Å; L159-L167 HydrophobicContact CD2-CD1 4.27Å; L159-L167 HydrophobicContact CD2-CD2 4.09Å; L159-L167 HydrophobicContact CD2-CG 4.5Å; L159-I169 HydrophobicContact CD2-CG1 3.96Å; L159-I215 HydrophobicContact CD1-CD1 3.91Å; L159-I215 HydrophobicContact CD1-CG2 4.18Å
160A96.1Very high93.2Very high6 Ų632.8 Ų32.85%0.0517%0.171CC..EExtended strand (participates in β ladder)trans-79.8138.6176.400000110.4M112 T114 L167 K168 L170M112-A160 HydrophobicContact CB-CB 3.54Å; M112-A160 HydrophobicContact CG-CB 3.7Å; T114-A160 WeakPolarHBondContact O-CA 3.09Å; A160-L167 CarbonylContact O-C 3.5Å; A160-L167 VanDerWaalsContact O-CA 3.29Å; A160-L167 WeakPolarHBondContact O-CA 3.37Å; A160-K168 PolarHBondContact N-O 3.2Å; A160-K168 PolarHBondContact O-N 3.37Å; A160-L170 HydrophobicContact CB-CD1 3.72Å; A160-L170 HydrophobicContact CB-CD2 3.74Å; A160-L170 HydrophobicContact CB-CG 3.83Å
161V96.1Very high92.7Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-139.5131.1-176.8-174.20000110.2M112 T114 L116 L119 L133 E166 L167M112-V161 CarbonylContact O-C 3.57Å; T114-V161 WeakPolarHBondContact CG2-O 3.16Å; T114-V161 PolarHBondContact N-O 3.43Å; T114-V161 PolarHBondContact O-N 3.47Å; L116-V161 HydrophobicContact CB-CG2 4.21Å; L116-V161 HydrophobicContact CD1-CG2 4.45Å; L119-V161 HydrophobicContact CD1-CB 4.12Å; L119-V161 HydrophobicContact CD1-CG1 3.86Å; L133-V161 HydrophobicContact CD2-CG1 3.99Å; L133-V161 HydrophobicContact CD2-CG2 4.06Å; V161-E166 WeakPolarHBondContact CA-O 3.47Å; V161-L167 HydrophobicContact CG2-CB 4.48Å; V161-L167 HydrophobicContact CG2-CD1 4.2Å; V161-L167 HydrophobicContact CG2-CG 4.41Å
162N93.4Very high91.7Very high31 Ų3134.8 Ų34.817%0.16618%0.182CC..  trans-94.6-178.2175.272.42.3000113.4M112 D164 C165 E166M112-N162 HydrophobicContact CE-CB 4.15Å; M112-N162 WeakPolarHBondContact O-CA 3.45Å; M112-N162 WeakPolarHBondContact O-CB 3.43Å; M112-N162 PolarHBondContact O-N 2.92Å; N162-D164 PolarHBondContact O-N 3.38Å; N162-D164 PolarHBondContact OD1-N 3.24Å; N162-C165 PolarHBondContact O-N 3.39Å; N162-C165 VanDerWaalsContact O-N 3.09Å; N162-C165 PolarHBondContact OD1-N 3.4Å; N162-E166 PolarHBondContact N-O 3.46Å; N162-E166 PolarHBondContact ND2-OE2 3.16Å; N162-E166 WeakPolarHBondContact OD1-CB 3.48Å; N162-E166 PolarHBondContact OD1-N 2.9Å
163E89.5Confident90.5Very high189 Ų18934.3 Ų34.388%0.88318%0.184SC*.THydrogen-bonded Turntrans-62.2-31.1-178.4-63.9177.1-175.600112.3C165E163-C165 PolarHBondContact O-N 3.06Å
164D91.1Very high89.3Confident123 Ų12335.9 Ų35.966%0.65819%0.192SC*.THydrogen-bonded Turntrans-83.26.5176.9-56.7-54.8000113.6N162 E166N162-D164 PolarHBondContact O-N 3.38Å; N162-D164 PolarHBondContact OD1-N 3.24Å; D164-E166 HydrophobicContact CB-CG 4.25Å; D164-E166 PolarHBondContact O-N 3.12Å
165C92.8Very high87.7Confident21 Ų2135.8 Ų35.814%0.14219%0.191CC..  trans62.821.2-176-53.70000114.8R129 F132 Q136 N162 E163R129-C165 VanDerWaalsContact CZ-SG 3.5Å; R129-C165 PolarHBondContact NE-SG 3.38Å; R129-C165 PolarHBondContact NH2-SG 2.86Å; R129-C165 VanDerWaalsContact NH2-SG 3.37Å; F132-C165 HydrophobicContact CD1-CB 4.09Å; F132-C165 HydrophobicContact CE1-CB 4.25Å; F132-C165 WeakPolarHBondContact CE1-O 3.44Å; Q136-C165 PolarHBondContact NE2-O 3.45Å; N162-C165 PolarHBondContact O-N 3.39Å; N162-C165 VanDerWaalsContact O-N 3.09Å; N162-C165 PolarHBondContact OD1-N 3.4Å; E163-C165 PolarHBondContact O-N 3.06Å
166E95.5Very high86.4Confident99 Ų9935.2 Ų35.246%0.46319%0.188SC..  trans-72.8131.9168.8-56178.314100109.4M112 V161 N162 D164M112-E166 HydrophobicContact CE-CB 4.33Å; M112-E166 WeakPolarHBondContact CE-O 3.44Å; V161-E166 WeakPolarHBondContact CA-O 3.47Å; N162-E166 PolarHBondContact N-O 3.46Å; N162-E166 PolarHBondContact ND2-OE2 3.16Å; N162-E166 WeakPolarHBondContact OD1-CB 3.48Å; N162-E166 PolarHBondContact OD1-N 2.9Å; D164-E166 HydrophobicContact CB-CG 4.25Å; D164-E166 PolarHBondContact O-N 3.12Å
167L97.5Very high84.5Confident1 Ų138 Ų381%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-111.8138.1-175179.3149.1000111.2N85 L133 Q136 M137 L159 A160 V161 I169N85-L167 VanDerWaalsContact CA-O 3.26Å; N85-L167 WeakPolarHBondContact CA-O 3.43Å; N85-L167 PolarHBondContact ND2-O 3.22Å; N85-L167 VanDerWaalsContact ND2-O 3.07Å; L133-L167 HydrophobicContact CD2-CB 4.22Å; L133-L167 HydrophobicContact CD2-CD1 3.99Å; Q136-L167 HydrophobicContact CB-CB 4.02Å; Q136-L167 HydrophobicContact CB-CD2 4.39Å; M137-L167 HydrophobicContact CG-CD1 3.56Å; M137-L167 HydrophobicContact CG-CD2 3.84Å; M137-L167 HydrophobicContact CG-CG 4.38Å; M137-L167 HydrophobicContact SD-CD1 4.19Å; L159-L167 HydrophobicContact CB-CD1 4.19Å; L159-L167 HydrophobicContact CD2-CD1 4.27Å; L159-L167 HydrophobicContact CD2-CD2 4.09Å; L159-L167 HydrophobicContact CD2-CG 4.5Å; A160-L167 CarbonylContact O-C 3.5Å; A160-L167 VanDerWaalsContact O-CA 3.29Å; A160-L167 WeakPolarHBondContact O-CA 3.37Å; V161-L167 HydrophobicContact CG2-CB 4.48Å; V161-L167 HydrophobicContact CG2-CD1 4.2Å; V161-L167 HydrophobicContact CG2-CG 4.41Å; L167-I169 HydrophobicContact CD2-CG1 4.2Å
168K97.8Very high82.6Confident40 Ų4038 Ų3817%0.17420%0.197CC..EExtended strand (participates in β ladder)trans-127.1129167.5-67.7-175.4-169.4-680111.4E84 I87 M112 A160E84-K168 WeakPolarHBondContact O-CG 3.49Å; E84-K168 PolarHBondContact O-NZ 3.31Å; I87-K168 HydrophobicContact CD1-CB 4.32Å; I87-K168 HydrophobicContact CD1-CD 3.73Å; M112-K168 HydrophobicContact CE-CB 4.44Å; M112-K168 HydrophobicContact CE-CD 4.18Å; M112-K168 HydrophobicContact CE-CG 3.94Å; M112-K168 HydrophobicContact CG-CD 4.24Å; M112-K168 HydrophobicContact SD-CD 3.62Å; M112-K168 VanDerWaalsContact SD-CE 3.6Å; M112-K168 HydrophobicContact SD-CG 4.06Å; A160-K168 PolarHBondContact N-O 3.2Å; A160-K168 PolarHBondContact O-N 3.37Å
169I97.4Very high80.4Confident0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-70132171.1-59.8171.1000109.3N85 I87 L141 I144 H151 L154 L159 L167N85-I169 PolarHBondContact O-N 3.35Å; I87-I169 WeakPolarHBondContact CB-O 3.42Å; I87-I169 VanDerWaalsContact CG2-O 3.28Å; I87-I169 WeakPolarHBondContact CG2-O 3.28Å; I87-I169 PolarHBondContact N-O 3.04Å; L141-I169 HydrophobicContact CD2-CD1 4.23Å; L141-I169 HydrophobicContact CG-CD1 4.03Å; I144-I169 HydrophobicContact CD1-CB 4.45Å; I144-I169 HydrophobicContact CD1-CD1 3.88Å; I144-I169 HydrophobicContact CD1-CG2 4.14Å; H151-I169 VanDerWaalsContact CD2-CG2 3.44Å; H151-I169 WeakPolarHBondContact CD2-CG2 3.26Å; L154-I169 HydrophobicContact CD1-CG2 3.97Å; L159-I169 HydrophobicContact CD2-CG1 3.96Å; L167-I169 HydrophobicContact CD2-CG1 4.2Å
170L91.5Very high78.1Confident44 Ų4444.8 Ų44.823%0.2324%0.236CC..  trans-113.5169.1-176.9-53.1-177.9000112.4I87 H151 N158 A160I87-L170 HydrophobicContact CB-CD2 3.76Å; I87-L170 HydrophobicContact CD1-CD2 4.03Å; I87-L170 HydrophobicContact CG1-CD2 3.85Å; I87-L170 HydrophobicContact CG2-CD2 4.05Å; H151-L170 PolarHBondContact NE2-O 3.22Å; N158-L170 WeakPolarHBondContact O-CB 3.21Å; N158-L170 PolarHBondContact O-N 3.1Å; A160-L170 HydrophobicContact CB-CD1 3.72Å; A160-L170 HydrophobicContact CB-CD2 3.74Å; A160-L170 HydrophobicContact CB-CG 3.83Å
171D79.8Confident75.6Confident45 Ų4552.9 Ų52.924%0.24127%0.272CS..  trans60.378.6163.5-163.16.9000116.1G173D171-G173 PolarHBondContact O-N 2.82Å; D171-G173 PolarHBondContact OD1-N 3.08Å
172F70Confident73.3Confident0 Ų055.8 Ų55.80%029%0.287CS..  trans-82.410.7172.3-65.6-76.3000114L77 L78 M81 V86 I87 I144 L174 A175L77-F172 HydrophobicContact CB-CB 4.03Å; L77-F172 HydrophobicContact CB-CG 4.27Å; L77-F172 HydrophobicContact CD1-CB 3.76Å; L77-F172 HydrophobicContact CD1-CG 4.45Å; L78-F172 HydrophobicContact CD2-CD2 4.2Å; M81-F172 HydrophobicContact CE-CE1 4.48Å; M81-F172 HydrophobicContact CG-CE2 4.34Å; M81-F172 HydrophobicContact CG-CZ 4.19Å; V86-F172 HydrophobicContact CG1-CE2 3.75Å; V86-F172 HydrophobicContact CG1-CZ 3.41Å; V86-F172 VanDerWaalsContact CG1-CZ 3.41Å; I87-F172 HydrophobicContact CG2-CE2 4.12Å; I144-F172 HydrophobicContact CD1-CE1 3.8Å; I144-F172 HydrophobicContact CD1-CZ 3.91Å; I144-F172 HydrophobicContact CG1-CE1 4.1Å; I144-F172 HydrophobicContact CG1-CZ 4.28Å; I144-F172 HydrophobicContact CG2-CE1 4.4Å; F172-L174 PolarHBondContact O-N 2.65Å; F172-A175 HydrophobicContact CB-CB 4.02Å; F172-A175 HydrophobicContact CD1-CB 3.87Å; F172-A175 HydrophobicContact CG-CB 4.48Å; F172-A175 WeakPolarHBondContact O-CB 3.41Å; F172-A175 PolarHBondContact O-N 3.26Å
173G61.1Low70.9Confident11 Ų1158.6 Ų58.611%0.11331%0.305CS..THydrogen-bonded Turntrans-62.7-17.4-17300000115D171D171-G173 PolarHBondContact O-N 2.82Å; D171-G173 PolarHBondContact OD1-N 3.08Å
174L63.1Low68.4Low44 Ų4453.2 Ų53.223%0.2330%0.3CS..THydrogen-bonded Turntrans-114.30.4174.7-61.6178.7000113.4D153 F172 V186D153-L174 HydrophobicContact CB-CD1 3.97Å; F172-L174 PolarHBondContact O-N 2.65Å; L174-V186 HydrophobicContact CD1-CG2 4.38Å
175A60Low65.9Low0 Ų057.6 Ų57.60%031%0.309CS..  trans-71146.7-17800000111.2R73 L77 I149 I150 F172R73-A175 VanDerWaalsContact CD-O 3.26Å; R73-A175 WeakPolarHBondContact CD-O 3.46Å; L77-A175 HydrophobicContact CD1-CB 3.91Å; I149-A175 HydrophobicContact CG2-CB 3.81Å; I150-A175 VanDerWaalsContact O-CA 3.26Å; I150-A175 WeakPolarHBondContact O-CA 3.4Å; I150-A175 WeakPolarHBondContact O-CB 3.39Å; F172-A175 HydrophobicContact CB-CB 4.02Å; F172-A175 HydrophobicContact CD1-CB 3.87Å; F172-A175 HydrophobicContact CG-CB 4.48Å; F172-A175 WeakPolarHBondContact O-CB 3.41Å; F172-A175 PolarHBondContact O-N 3.26Å
176R64.8Low63.9Low31 Ų3158.5 Ų58.512%0.11731%0.314CS..BIsolated β-bridgetrans-168.6166.7-176.257.9-162.3-175.3158.51.7111I150 R152 S180 E181I150-R176 PolarHBondContact N-O 3.47Å; I150-R176 PolarHBondContact O-N 3.16Å; R152-R176 VanDerWaalsContact NE-NE 3.18Å; R152-R176 VanDerWaalsContact NH1-CZ 3.3Å; R176-S180 PolarHBondContact NH1-O 3.37Å; R176-S180 VanDerWaalsContact NH1-O 3.17Å; R176-S180 PolarHBondContact NH1-OG 2.79Å; R176-S180 VanDerWaalsContact NH1-OG 3.09Å; R176-S180 PolarHBondContact NH2-O 2.94Å; R176-E181 PolarHBondContact NH1-O 3.29Å
177Q56.3Low62.2Low65 Ų6560 Ų6030%0.30433%0.33SS..  trans-63.2166.1171.1-69.8-167.6900112.3G148 R152 D179 Y326 D328G148-Q177 WeakPolarHBondContact O-CG 3.34Å; R152-Q177 PolarHBondContact NH2-O 3.18Å; Q177-D179 VanDerWaalsContact C-N 3.26Å; Q177-D179 PolarHBondContact O-N 3.5Å; Q177-Y326 PolarHBondContact NE2-O 3.5Å; Q177-D328 HydrophobicContact CG-CB 4.32Å; Q177-D328 WeakPolarHBondContact CG-OD2 3.31Å; Q177-D328 PolarHBondContact NE2-OD1 3.46Å; Q177-D328 PolarHBondContact NE2-OD2 2.95Å; Q177-D328 PolarHBondContact OE1-OD2 3.12Å
178A50.6Low60.8Low35 Ų3562.2 Ų62.229%0.28934%0.343SS..THydrogen-bonded Turntrans-56.5-32.8-17300000114.6I150 R152I150-A178 VanDerWaalsContact CD1-CA 3.49Å; I150-A178 HydrophobicContact CD1-CB 3.82Å; R152-A178 PolarHBondContact NH2-O 3.02Å
179D48.1Very low60.1Low127 Ų12762.7 Ų62.768%0.67934%0.344SS*.THydrogen-bonded Turntrans-97.311.8-164.5-67.8-44.6000117.1Q177Q177-D179 VanDerWaalsContact C-N 3.26Å; Q177-D179 PolarHBondContact O-N 3.5Å
180S47.6Very low59.9Low29 Ų2966.1 Ų66.120%0.20336%0.357CS..PPolyproline II helixtrans-94137.1-176.9175.10000114.7R176R176-S180 PolarHBondContact NH1-O 3.37Å; R176-S180 VanDerWaalsContact NH1-O 3.17Å; R176-S180 PolarHBondContact NH1-OG 2.79Å; R176-S180 VanDerWaalsContact NH1-OG 3.09Å; R176-S180 PolarHBondContact NH2-O 2.94Å
181E43.4Very low60.1Low176 Ų17664.9 Ų64.982%0.82235%0.349SS*.PPolyproline II helixtrans-74.3140.9-178.3-71.1-168.7165.400115.1R176R176-E181 PolarHBondContact NH1-O 3.29Å
182M48.3Very low60.7Low61 Ų6163.9 Ų63.930%0.334%0.342SS..PPolyproline II helixtrans-78.4143.3-175.9-77.2-168.374.100115.4V196M182-V196 HydrophobicContact CE-CG1 4.14Å; M182-V196 HydrophobicContact SD-CG1 3.76Å
183T43.2Very low61.7Low90 Ų9063.9 Ų63.955%0.55234%0.342SS*.PPolyproline II helixtrans-93.2117.9156.5580000109.9Y185T183-Y185 PolarHBondContact O-N 3.49Å
184G36.2Very low63.1Low76 Ų7663.4 Ų63.478%0.78434%0.337SS*.  trans-78.591.2-175.200000114.1
185Y39.4Very low64.1Low215 Ų21561.5 Ų61.584%0.84333%0.327SS*.  trans-166.8106.9154.4-148-95.9000110.8T183T183-Y185 PolarHBondContact O-N 3.49Å
186V49.8Very low65.1Low39 Ų3962.1 Ų62.124%0.23633%0.331CS..  trans-145.8146.6172.9-169.10000112.5L174L174-V186 HydrophobicContact CD1-CG2 4.38Å
187V60.7Low65.8Low132 Ų13261.4 Ų61.480%0.833%0.329SS*.SBendtrans-68.1-45.4-166.6-175.50000114.5
188T68.3Low66.4Low46 Ų4660.1 Ų60.128%0.28232%0.324SS..  trans-123.6121.6-175.8-50.40000110.3W190 Y191T188-W190 HydrophobicContact CG2-CD2 4.2Å; T188-W190 HydrophobicContact CG2-CE3 4.15Å; T188-W190 HydrophobicContact CG2-CG 4.4Å; T188-Y191 HydrophobicContact CG2-CD2 4.45Å; T188-Y191 HydrophobicContact CG2-CE2 4.27Å
189R83.1Confident67.4Low50 Ų5063 Ų6319%0.18934%0.335CS..  trans-107.9-7.4-17468.3-174.369.187.7-0.8115.3Y191 R192 S229 Q234R189-Y191 PolarHBondContact O-N 3.16Å; R189-Y191 VanDerWaalsContact O-N 3.14Å; R189-R192 WeakPolarHBondContact O-CB 3.44Å; R189-R192 PolarHBondContact O-N 2.95Å; R189-R192 VanDerWaalsContact O-N 3.09Å; R189-S229 PolarHBondContact NH1-O 2.97Å; R189-Q234 HydrophobicContact CG-CB 4.46Å; R189-Q234 HydrophobicContact CG-CG 4.31Å
190W93.6Very high68.3Low72 Ų7257.1 Ų57.127%0.27330%0.303SS..THydrogen-bonded Turntrans-63-24.2-167.9-56.7-25.6000115.2T188 T224 F226 K227 G228 Q234T188-W190 HydrophobicContact CG2-CD2 4.2Å; T188-W190 HydrophobicContact CG2-CE3 4.15Å; T188-W190 HydrophobicContact CG2-CG 4.4Å; W190-T224 HydrophobicContact CB-CG2 3.76Å; W190-T224 HydrophobicContact CD2-CG2 3.96Å; W190-T224 HydrophobicContact CE3-CG2 3.7Å; W190-T224 HydrophobicContact CG-CG2 4.02Å; W190-F226 VanDerWaalsContact CB-O 3.31Å; W190-F226 WeakPolarHBondContact CB-O 3.42Å; W190-K227 HydrophobicContact CD2-CG 4.18Å; W190-K227 HydrophobicContact CH2-CD 4.45Å; W190-K227 HydrophobicContact CH2-CG 4.23Å; W190-K227 HydrophobicContact CZ2-CD 4.33Å; W190-K227 HydrophobicContact CZ2-CG 3.72Å; W190-G228 PolarHBondContact NE1-O 2.95Å; W190-G228 VanDerWaalsContact NE1-O 3.07Å; W190-Q234 PolarHBondContact O-NE2 3.36Å
191Y94.9Very high69Low19 Ų1957.7 Ų57.78%0.07530%0.303CS..THydrogen-bonded Turntrans-101.21.4-179-50.6-80.3000113.1L154 K155 P156 T188 R189 S211 C214 I215 E218L154-Y191 VanDerWaalsContact O-CB 3.31Å; L154-Y191 WeakPolarHBondContact O-CB 3.28Å; K155-Y191 HydrophobicContact CB-CD2 3.51Å; K155-Y191 HydrophobicContact CB-CE2 3.98Å; K155-Y191 HydrophobicContact CB-CG 4.08Å; P156-Y191 VanDerWaalsContact CD-CE2 3.47Å; P156-Y191 HydrophobicContact CG-CE1 3.87Å; P156-Y191 HydrophobicContact CG-CE2 4.34Å; T188-Y191 HydrophobicContact CG2-CD2 4.45Å; T188-Y191 HydrophobicContact CG2-CE2 4.27Å; R189-Y191 PolarHBondContact O-N 3.16Å; R189-Y191 VanDerWaalsContact O-N 3.14Å; Y191-S211 VanDerWaalsContact O-CA 3.32Å; Y191-S211 WeakPolarHBondContact O-CA 3.41Å; Y191-S211 VanDerWaalsContact O-CB 3.32Å; Y191-S211 WeakPolarHBondContact O-CB 3.4Å; Y191-S211 PolarHBondContact O-OG 2.93Å; Y191-C214 HydrophobicContact CD1-CB 3.84Å; Y191-I215 HydrophobicContact CD1-CG1 3.68Å; Y191-I215 HydrophobicContact CE1-CG1 4Å; Y191-E218 WeakPolarHBondContact CE1-OE2 3.37Å; Y191-E218 VanDerWaalsContact CZ-OE2 3.28Å; Y191-E218 PolarHBondContact OH-OE1 3.42Å; Y191-E218 PolarHBondContact OH-OE2 2.98Å
192R91.6Very high70.1Confident23 Ų2359 Ų599%0.08730%0.3CS..SBendtrans-80.3140-176.5-65.6177.8179-143.5-29.1111D153 R189 V196 I197 W210D153-R192 IonicContact OD1-NH2 3.19Å; D153-R192 PolarHBondContact OD1-NH2 3.27Å; R189-R192 WeakPolarHBondContact O-CB 3.44Å; R189-R192 PolarHBondContact O-N 2.95Å; R189-R192 VanDerWaalsContact O-N 3.09Å; R192-V196 HydrophobicContact CB-CB 4.47Å; R192-V196 HydrophobicContact CB-CG1 4.4Å; R192-I197 HydrophobicContact CB-CD1 4.23Å; R192-I197 HydrophobicContact CB-CG1 3.91Å; R192-W210 VanDerWaalsContact C-CD1 3.5Å; R192-W210 PolarHBondContact O-NE1 3.41Å; R192-W210 VanDerWaalsContact O-NE1 3.13Å
193A92.1Very high71.2Confident1 Ų156.9 Ų56.91%0.00829%0.289CS..  trans-61.4147.4170.800000111.3E195 V196 I197 V207 W210A193-E195 HydrophobicContact CB-CG 4.43Å; A193-E195 WeakPolarHBondContact CB-OE1 3.48Å; A193-E195 WeakPolarHBondContact CB-OE2 3.26Å; A193-E195 PolarHBondContact O-N 3.42Å; A193-V196 HydrophobicContact CB-CG2 4.16Å; A193-V196 WeakPolarHBondContact O-CB 3.41Å; A193-V196 PolarHBondContact O-N 3.08Å; A193-I197 PolarHBondContact O-N 3.42Å; A193-V207 HydrophobicContact CB-CB 4.05Å; A193-V207 HydrophobicContact CB-CG1 4.17Å; A193-W210 HydrophobicContact CB-CB 3.77Å; A193-W210 HydrophobicContact CB-CD2 4.45Å; A193-W210 HydrophobicContact CB-CG 3.81Å
194P89.4Confident73.1Confident0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-58.1-35.7-176.622-32.7000112.9V196 I197 L198 W200 W210 L235 I238 L294P194-V196 VanDerWaalsContact C-N 3.31Å; P194-V196 PolarHBondContact O-N 2.84Å; P194-I197 WeakPolarHBondContact O-CB 3.46Å; P194-I197 PolarHBondContact O-N 3.42Å; P194-L198 PolarHBondContact O-N 3.2Å; P194-L198 VanDerWaalsContact O-N 3.16Å; P194-W200 HydrophobicContact CB-CZ2 4.23Å; P194-W210 HydrophobicContact CG-CH2 4.32Å; P194-W210 HydrophobicContact CG-CZ3 4.34Å; P194-L235 HydrophobicContact CB-CD1 3.95Å; P194-I238 HydrophobicContact CB-CD1 4.37Å; P194-L294 HydrophobicContact CB-CD2 4.44Å; P194-L294 HydrophobicContact CG-CD2 3.97Å
195E85.7Confident75.7Confident4 Ų454.3 Ų54.32%0.01925%0.253CS..Hα-helixtrans-63.8-36.217564.6-84.3-159.200112.8A193 I197 L198 N199 W200 Y203 V207 R299A193-E195 HydrophobicContact CB-CG 4.43Å; A193-E195 WeakPolarHBondContact CB-OE1 3.48Å; A193-E195 WeakPolarHBondContact CB-OE2 3.26Å; A193-E195 PolarHBondContact O-N 3.42Å; E195-I197 VanDerWaalsContact C-N 3.3Å; E195-L198 PolarHBondContact O-N 2.73Å; E195-N199 WeakPolarHBondContact O-CA 3.34Å; E195-N199 PolarHBondContact O-N 2.93Å; E195-W200 VanDerWaalsContact CA-CD1 3.43Å; E195-W200 VanDerWaalsContact CB-CD1 3.48Å; E195-Y203 VanDerWaalsContact C-CE1 3.49Å; E195-Y203 HydrophobicContact CB-CD1 4.34Å; E195-Y203 HydrophobicContact CB-CE1 4.25Å; E195-Y203 HydrophobicContact CG-CD1 3.73Å; E195-Y203 HydrophobicContact CG-CE1 4.06Å; E195-Y203 VanDerWaalsContact O-CE1 3.29Å; E195-Y203 WeakPolarHBondContact O-CE1 3.39Å; E195-V207 HydrophobicContact CG-CG1 4.09Å; E195-V207 WeakPolarHBondContact OE1-CG1 3.4Å; E195-R299 VanDerWaalsContact CD-NH2 3.26Å; E195-R299 IonicContact OE1-CZ 3.07Å; E195-R299 VanDerWaalsContact OE1-CZ 3.28Å; E195-R299 IonicContact OE1-NH1 3.32Å; E195-R299 PolarHBondContact OE1-NH1 3.12Å; E195-R299 IonicContact OE1-NH2 3.82Å; E195-R299 PolarHBondContact OE1-NH2 3.46Å; E195-R299 VanDerWaalsContact OE1-NH2 3.08Å; E195-R299 IonicContact OE2-CZ 2.58Å; E195-R299 IonicContact OE2-NH1 2.67Å; E195-R299 IonicContact OE2-NH2 2.93Å; E195-R299 PolarHBondContact OE2-NH2 2.79Å
196V81.3Confident78.3Confident13 Ų1344.5 Ų44.58%0.07922%0.216CC..Hα-helixtrans-70.1-31.1177.5178.60000110.9M182 R192 A193 P194 Y203 V207M182-V196 HydrophobicContact CE-CG1 4.14Å; M182-V196 HydrophobicContact SD-CG1 3.76Å; R192-V196 HydrophobicContact CB-CB 4.47Å; R192-V196 HydrophobicContact CB-CG1 4.4Å; A193-V196 HydrophobicContact CB-CG2 4.16Å; A193-V196 WeakPolarHBondContact O-CB 3.41Å; A193-V196 PolarHBondContact O-N 3.08Å; P194-V196 VanDerWaalsContact C-N 3.31Å; P194-V196 PolarHBondContact O-N 2.84Å; V196-Y203 HydrophobicContact CB-CE1 4.25Å; V196-Y203 HydrophobicContact CG2-CD1 3.82Å; V196-Y203 HydrophobicContact CG2-CE1 3.83Å; V196-V207 HydrophobicContact CG2-CB 3.99Å; V196-V207 HydrophobicContact CG2-CG1 3.63Å
197I78.8Confident80.4Confident16 Ų1642.8 Ų42.88%0.08221%0.205CC..Hα-helixtrans-70.8-37.3177.2-66.9164.1000110.9R192 A193 P194 E195 H231 Q234 I238R192-I197 HydrophobicContact CB-CD1 4.23Å; R192-I197 HydrophobicContact CB-CG1 3.91Å; A193-I197 PolarHBondContact O-N 3.42Å; P194-I197 WeakPolarHBondContact O-CB 3.46Å; P194-I197 PolarHBondContact O-N 3.42Å; E195-I197 VanDerWaalsContact C-N 3.3Å; I197-H231 HydrophobicContact CG2-CB 3.95Å; I197-Q234 HydrophobicContact CD1-CB 4.35Å; I197-Q234 HydrophobicContact CD1-CG 3.44Å; I197-Q234 VanDerWaalsContact CD1-CG 3.44Å; I197-I238 HydrophobicContact CD1-CD1 3.93Å
198L69.3Low82.1Confident39 Ų3936.5 Ų36.520%0.20417%0.167CC..Hα-helixtrans-103.8-10.5-170.6-65172.5000114.7P194 E195 W200 L235P194-L198 PolarHBondContact O-N 3.2Å; P194-L198 VanDerWaalsContact O-N 3.16Å; E195-L198 PolarHBondContact O-N 2.73Å; L198-W200 HydrophobicContact CB-CB 4Å; L198-W200 HydrophobicContact CB-CD2 3.82Å; L198-W200 HydrophobicContact CB-CE3 3.99Å; L198-W200 HydrophobicContact CB-CG 3.84Å; L198-W200 HydrophobicContact CD1-CD2 3.61Å; L198-W200 HydrophobicContact CD1-CE3 3.14Å; L198-W200 HydrophobicContact CD1-CG 4.49Å; L198-W200 HydrophobicContact CD1-CH2 3.53Å; L198-W200 HydrophobicContact CD1-CZ2 3.97Å; L198-W200 HydrophobicContact CD1-CZ3 3.1Å; L198-W200 HydrophobicContact CG-CD2 4.38Å; L198-W200 HydrophobicContact CG-CE3 4.2Å; L198-W200 HydrophobicContact CG-CZ3 4.49Å; L198-W200 PolarHBondContact O-N 2.84Å; L198-W200 VanDerWaalsContact O-N 3.15Å; L198-L235 HydrophobicContact CD1-CD1 3.71Å; L198-L235 HydrophobicContact CD1-CD2 3.62Å; L198-L235 HydrophobicContact CD1-CG 4.26Å; L198-L235 HydrophobicContact CD2-CD2 4.31Å; L198-L235 HydrophobicContact CG-CD1 4.47Å; L198-L235 HydrophobicContact CG-CD2 4.46Å
199N70.4Confident83.5Confident96 Ų9634.3 Ų34.351%0.51315%0.154SC..THydrogen-bonded Turntrans51.434.1-174-161.354.3000113.7E195 Y203E195-N199 WeakPolarHBondContact O-CA 3.34Å; E195-N199 PolarHBondContact O-N 2.93Å; N199-Y203 WeakPolarHBondContact CA-OH 3.48Å; N199-Y203 PolarHBondContact OD1-OH 3.41Å
200W68.2Low84.3Confident3 Ų332 Ų321%0.01115%0.145CC..  trans-96.1-6.4-16667.45.1000114.9P194 E195 L198 F249 L253 Q254 A258 M262P194-W200 HydrophobicContact CB-CZ2 4.23Å; E195-W200 VanDerWaalsContact CA-CD1 3.43Å; E195-W200 VanDerWaalsContact CB-CD1 3.48Å; L198-W200 HydrophobicContact CB-CB 4Å; L198-W200 HydrophobicContact CB-CD2 3.82Å; L198-W200 HydrophobicContact CB-CE3 3.99Å; L198-W200 HydrophobicContact CB-CG 3.84Å; L198-W200 HydrophobicContact CD1-CD2 3.61Å; L198-W200 HydrophobicContact CD1-CE3 3.14Å; L198-W200 HydrophobicContact CD1-CG 4.49Å; L198-W200 HydrophobicContact CD1-CH2 3.53Å; L198-W200 HydrophobicContact CD1-CZ2 3.97Å; L198-W200 HydrophobicContact CD1-CZ3 3.1Å; L198-W200 HydrophobicContact CG-CD2 4.38Å; L198-W200 HydrophobicContact CG-CE3 4.2Å; L198-W200 HydrophobicContact CG-CZ3 4.49Å; L198-W200 PolarHBondContact O-N 2.84Å; L198-W200 VanDerWaalsContact O-N 3.15Å; W200-F249 AromaticContact CH2-CE1 3.86Å; W200-F249 HydrophobicContact CH2-CE1 3.86Å; W200-F249 HydrophobicContact CH2-CZ 4.38Å; W200-F249 AromaticContact CZ2-CE1 3.73Å; W200-F249 HydrophobicContact CZ2-CE1 3.73Å; W200-F249 AromaticContact CZ2-CZ 3.78Å; W200-F249 HydrophobicContact CZ2-CZ 3.78Å; W200-L253 HydrophobicContact CB-CD2 4.23Å; W200-L253 HydrophobicContact CD2-CD1 4.22Å; W200-L253 HydrophobicContact CD2-CD2 3.34Å; W200-L253 HydrophobicContact CD2-CG 4.35Å; W200-L253 HydrophobicContact CE3-CD1 3.53Å; W200-L253 HydrophobicContact CE3-CD2 3.55Å; W200-L253 HydrophobicContact CE3-CG 4.14Å; W200-L253 HydrophobicContact CG-CD2 3.65Å; W200-L253 HydrophobicContact CH2-CD2 4.46Å; W200-L253 HydrophobicContact CZ2-CD2 4.26Å; W200-L253 HydrophobicContact CZ3-CD1 3.8Å; W200-L253 HydrophobicContact CZ3-CD2 4.11Å; W200-Q254 WeakPolarHBondContact O-CB 3.43Å; W200-Q254 PolarHBondContact O-N 2.94Å; W200-A258 HydrophobicContact CB-CB 4.01Å; W200-A258 HydrophobicContact CE3-CB 4.05Å; W200-M262 HydrophobicContact CH2-CE 3.98Å; W200-M262 HydrophobicContact CH2-SD 4.25Å; W200-M262 HydrophobicContact CZ3-CE 3.98Å; W200-M262 HydrophobicContact CZ3-CG 3.73Å; W200-M262 HydrophobicContact CZ3-SD 3.75Å
201M61Low84.5Confident40 Ų4028.7 Ų28.720%0.19713%0.133CC..SBendtrans-151.5158.6-177.9-69.1-170.980.500109.6Y203 F249 R252 L253M201-Y203 PolarHBondContact O-N 3.38Å; M201-F249 HydrophobicContact SD-CE2 4.18Å; M201-F249 HydrophobicContact SD-CZ 4.32Å; M201-R252 HydrophobicContact CE-CB 4.24Å; M201-L253 HydrophobicContact CG-CD2 4.02Å; M201-L253 HydrophobicContact SD-CD2 4.06Å
202R67.1Low84.6Confident205 Ų20527.8 Ų27.877%0.77413%0.129SC*.  trans-61.2136.8165.6-72.2-170-178.3-169.61.3108.8
203Y72Confident85Confident15 Ų1526.7 Ų26.76%0.05913%0.125CC..  trans-89.5140.9-176-50.5-76.4000110.3E195 V196 N199 M201 V207E195-Y203 VanDerWaalsContact C-CE1 3.49Å; E195-Y203 HydrophobicContact CB-CD1 4.34Å; E195-Y203 HydrophobicContact CB-CE1 4.25Å; E195-Y203 HydrophobicContact CG-CD1 3.73Å; E195-Y203 HydrophobicContact CG-CE1 4.06Å; E195-Y203 VanDerWaalsContact O-CE1 3.29Å; E195-Y203 WeakPolarHBondContact O-CE1 3.39Å; V196-Y203 HydrophobicContact CB-CE1 4.25Å; V196-Y203 HydrophobicContact CG2-CD1 3.82Å; V196-Y203 HydrophobicContact CG2-CE1 3.83Å; N199-Y203 WeakPolarHBondContact CA-OH 3.48Å; N199-Y203 PolarHBondContact OD1-OH 3.41Å; M201-Y203 PolarHBondContact O-N 3.38Å; Y203-V207 HydrophobicContact CD1-CG1 4.19Å
204T82.4Confident85.3Confident39 Ų3926.8 Ų26.824%0.23913%0.126CC..  trans-111.6175.7169.369.60000109.7T206 V207 E297T204-T206 PolarHBondContact O-N 3.32Å; T204-T206 VanDerWaalsContact O-N 3.1Å; T204-T206 PolarHBondContact OG1-N 2.65Å; T204-T206 PolarHBondContact OG1-OG1 3.13Å; T204-V207 WeakPolarHBondContact O-CG1 3.49Å; T204-V207 WeakPolarHBondContact O-CG2 3.26Å; T204-V207 PolarHBondContact O-N 3.16Å; T204-E297 WeakPolarHBondContact CG2-OE1 3.41Å
205Q90.6Very high85.7Confident74 Ų7426.8 Ų26.835%0.34613%0.126SC..THydrogen-bonded Turntrans-60-16.917669-16821.900113.8H145 I150 V207 D208H145-Q205 HydrophobicContact CB-CB 4.42Å; H145-Q205 PolarHBondContact CE1-O 3.4Å; H145-Q205 PolarHBondContact NE2-O 3.24Å; I150-Q205 HydrophobicContact CG1-CB 4.34Å; Q205-V207 PolarHBondContact O-N 3.05Å; Q205-D208 PolarHBondContact O-N 2.94Å
206T94.4Very high86.3Confident9 Ų926.6 Ų26.66%0.05513%0.125CC..Hα-helixtrans-73.6-4-179.7670000113.7T204 D208 I209 W210 A296 R299T204-T206 PolarHBondContact O-N 3.32Å; T204-T206 VanDerWaalsContact O-N 3.1Å; T204-T206 PolarHBondContact OG1-N 2.65Å; T204-T206 PolarHBondContact OG1-OG1 3.13Å; T206-D208 PolarHBondContact O-N 2.83Å; T206-I209 PolarHBondContact O-N 3.26Å; T206-W210 PolarHBondContact O-N 3.46Å; T206-A296 PolarHBondContact OG1-O 2.85Å; T206-R299 HydrophobicContact CG2-CB 4.29Å; T206-R299 PolarHBondContact O-NH1 3.46Å
207V94.4Very high87Confident3 Ų326 Ų262%0.01812%0.121CC..Hα-helixtrans-60.3-35.2166.4-60.70000111.7I150 A193 E195 V196 Y203 T204 Q205 I209 W210 S211I150-V207 HydrophobicContact CG2-CG2 3.4Å; A193-V207 HydrophobicContact CB-CB 4.05Å; A193-V207 HydrophobicContact CB-CG1 4.17Å; E195-V207 HydrophobicContact CG-CG1 4.09Å; E195-V207 WeakPolarHBondContact OE1-CG1 3.4Å; V196-V207 HydrophobicContact CG2-CB 3.99Å; V196-V207 HydrophobicContact CG2-CG1 3.63Å; Y203-V207 HydrophobicContact CD1-CG1 4.19Å; T204-V207 WeakPolarHBondContact O-CG1 3.49Å; T204-V207 WeakPolarHBondContact O-CG2 3.26Å; T204-V207 PolarHBondContact O-N 3.16Å; Q205-V207 PolarHBondContact O-N 3.05Å; V207-I209 VanDerWaalsContact C-N 3.34Å; V207-W210 WeakPolarHBondContact O-CB 3.34Å; V207-W210 PolarHBondContact O-N 3.19Å; V207-S211 PolarHBondContact O-N 2.78Å; V207-S211 PolarHBondContact O-OG 2.91Å
208D96.1Very high87.9Confident0 Ų026.4 Ų26.40%012%0.123CC..Hα-helixtrans-73-31.4179.2-64.2-31.5000110.8L141 H145 I150 H151 R152 Q205 T206 S211 V212L141-D208 HydrophobicContact CD1-CB 4.02Å; L141-D208 HydrophobicContact CD2-CB 3.84Å; H145-D208 IonicContact CD2-OD2 2.73Å; H145-D208 IonicContact CE1-OD2 2.85Å; H145-D208 IonicContact NE2-OD2 3.34Å; H145-D208 PolarHBondContact NE2-OD2 2.87Å; I150-D208 WeakPolarHBondContact CG2-OD2 3.48Å; H151-D208 WeakPolarHBondContact CB-OD1 3.4Å; H151-D208 PolarHBondContact N-OD1 3.28Å; H151-D208 PolarHBondContact N-OD2 3.09Å; R152-D208 PolarHBondContact N-OD1 3.33Å; Q205-D208 PolarHBondContact O-N 2.94Å; T206-D208 PolarHBondContact O-N 2.83Å; D208-S211 WeakPolarHBondContact O-CB 3.14Å; D208-S211 PolarHBondContact O-N 3.5Å; D208-S211 VanDerWaalsContact O-N 3.16Å; D208-V212 WeakPolarHBondContact O-CG2 3.23Å; D208-V212 PolarHBondContact O-N 2.81Å
209I98.4Very high89.2Confident0 Ų025 Ų250%012%0.115CC..Hα-helixtrans-66.7-38.5177.1-57.7-61.5000111.1L138 T206 V207 S211 V212 G213 M291 V300 A302L138-I209 HydrophobicContact CD2-CD1 3.94Å; T206-I209 PolarHBondContact O-N 3.26Å; V207-I209 VanDerWaalsContact C-N 3.34Å; I209-S211 VanDerWaalsContact C-N 3.29Å; I209-S211 PolarHBondContact O-N 3.33Å; I209-V212 WeakPolarHBondContact O-CB 3.4Å; I209-V212 PolarHBondContact O-N 3.14Å; I209-G213 PolarHBondContact O-N 2.97Å; I209-M291 HydrophobicContact CG2-CB 3.93Å; I209-M291 HydrophobicContact CG2-CG 3.69Å; I209-V300 WeakPolarHBondContact CG1-O 3.31Å; I209-V300 HydrophobicContact CG2-CG2 4.26Å; I209-V300 WeakPolarHBondContact CG2-O 3.26Å; I209-A302 HydrophobicContact CD1-CB 3.99Å
210W97.8Very high90.4Very high0 Ų021.4 Ų21.40%010%0.096CC..Hα-helixtrans-56.5-46.5170.5179.8-82.5000111.3R192 A193 P194 T206 V207 V212 G213 C214 F226 I238 T242 L292 L294R192-W210 VanDerWaalsContact C-CD1 3.5Å; R192-W210 PolarHBondContact O-NE1 3.41Å; R192-W210 VanDerWaalsContact O-NE1 3.13Å; A193-W210 HydrophobicContact CB-CB 3.77Å; A193-W210 HydrophobicContact CB-CD2 4.45Å; A193-W210 HydrophobicContact CB-CG 3.81Å; P194-W210 HydrophobicContact CG-CH2 4.32Å; P194-W210 HydrophobicContact CG-CZ3 4.34Å; T206-W210 PolarHBondContact O-N 3.46Å; V207-W210 WeakPolarHBondContact O-CB 3.34Å; V207-W210 PolarHBondContact O-N 3.19Å; W210-V212 VanDerWaalsContact C-N 3.34Å; W210-V212 PolarHBondContact O-N 3.07Å; W210-G213 PolarHBondContact O-N 3.47Å; W210-G213 VanDerWaalsContact O-N 3.16Å; W210-C214 PolarHBondContact NE1-SG 3.46Å; W210-C214 PolarHBondContact O-N 2.87Å; W210-C214 PolarHBondContact O-SG 3.08Å; W210-F226 HydrophobicContact CH2-CE2 4.24Å; W210-F226 HydrophobicContact CZ2-CD2 4.08Å; W210-F226 AromaticContact CZ2-CE2 3.51Å; W210-F226 HydrophobicContact CZ2-CE2 3.51Å; W210-F226 HydrophobicContact CZ2-CZ 4.15Å; W210-I238 HydrophobicContact CH2-CG2 3.52Å; W210-I238 HydrophobicContact CZ2-CB 4.42Å; W210-I238 HydrophobicContact CZ2-CD1 3.86Å; W210-I238 HydrophobicContact CZ2-CG1 3.91Å; W210-I238 HydrophobicContact CZ2-CG2 3.66Å; W210-T242 HydrophobicContact CH2-CG2 4.1Å; W210-L292 HydrophobicContact CD2-CD2 3.88Å; W210-L292 HydrophobicContact CE3-CD2 4Å; W210-L292 HydrophobicContact CG-CD2 4.33Å; W210-L292 HydrophobicContact CH2-CD2 4.43Å; W210-L292 HydrophobicContact CZ2-CD2 4.32Å; W210-L292 HydrophobicContact CZ3-CB 4.38Å; W210-L292 HydrophobicContact CZ3-CD2 4.28Å; W210-L294 HydrophobicContact CH2-CD2 4.33Å
211S97.8Very high91.6Very high4 Ų423.5 Ų23.53%0.02811%0.109CC..Hα-helixtrans-60.5-42.4176.9-55.60000112.1Y191 V207 D208 I209 G213 C214 I215Y191-S211 VanDerWaalsContact O-CA 3.32Å; Y191-S211 WeakPolarHBondContact O-CA 3.41Å; Y191-S211 VanDerWaalsContact O-CB 3.32Å; Y191-S211 WeakPolarHBondContact O-CB 3.4Å; Y191-S211 PolarHBondContact O-OG 2.93Å; V207-S211 PolarHBondContact O-N 2.78Å; V207-S211 PolarHBondContact O-OG 2.91Å; D208-S211 WeakPolarHBondContact O-CB 3.14Å; D208-S211 PolarHBondContact O-N 3.5Å; D208-S211 VanDerWaalsContact O-N 3.16Å; I209-S211 VanDerWaalsContact C-N 3.29Å; I209-S211 PolarHBondContact O-N 3.33Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 3.39Å; S211-C214 PolarHBondContact O-N 3.31Å; S211-I215 WeakPolarHBondContact O-CD1 3.48Å; S211-I215 WeakPolarHBondContact O-CG1 3.37Å; S211-I215 PolarHBondContact O-N 3.36Å
212V98.6Very high93.1Very high0 Ų024.5 Ų24.50%013%0.129CC..Hα-helixtrans-58-46173.6177.30000110.8V134 M137 L138 L141 L154 D208 I209 W210 C214 I215 M216 M291V134-V212 HydrophobicContact CG1-CG1 3.86Å; M137-V212 HydrophobicContact CE-CB 4.35Å; M137-V212 HydrophobicContact CE-CG1 4.2Å; M137-V212 HydrophobicContact CE-CG2 4.01Å; L138-V212 HydrophobicContact CD2-CG1 4.14Å; L138-V212 HydrophobicContact CD2-CG2 4.37Å; L138-V212 HydrophobicContact CG-CG1 4.43Å; L141-V212 HydrophobicContact CD1-CG2 3.36Å; L154-V212 HydrophobicContact CD2-CG2 3.71Å; D208-V212 WeakPolarHBondContact O-CG2 3.23Å; D208-V212 PolarHBondContact O-N 2.81Å; I209-V212 WeakPolarHBondContact O-CB 3.4Å; I209-V212 PolarHBondContact O-N 3.14Å; W210-V212 VanDerWaalsContact C-N 3.34Å; W210-V212 PolarHBondContact O-N 3.07Å; V212-C214 PolarHBondContact O-N 3.07Å; V212-I215 PolarHBondContact O-N 2.95Å; V212-M216 WeakPolarHBondContact O-CB 3.47Å; V212-M216 PolarHBondContact O-N 2.64Å; V212-M291 HydrophobicContact CB-SD 4.39Å; V212-M291 HydrophobicContact CG1-CE 3.91Å; V212-M291 HydrophobicContact CG1-SD 3.95Å
213G98.5Very high94.3Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-59-45177.600000112.7I209 W210 S211 I215 M216 A217 L288I209-G213 PolarHBondContact O-N 2.97Å; W210-G213 PolarHBondContact O-N 3.47Å; W210-G213 VanDerWaalsContact O-N 3.16Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 3.39Å; G213-I215 VanDerWaalsContact C-N 3.35Å; G213-I215 PolarHBondContact O-N 2.85Å; G213-M216 PolarHBondContact O-N 3.27Å; G213-A217 WeakPolarHBondContact O-CB 3.46Å; G213-A217 PolarHBondContact O-N 3.47Å; G213-L288 WeakPolarHBondContact O-CD2 3.37Å
214C98.3Very high95.4Very high2 Ų223.1 Ų23.11%0.01413%0.132CC..Hα-helixtrans-60.8-42.8174.9-68.40000112.4Y191 W210 S211 V212 E218 F226Y191-C214 HydrophobicContact CD1-CB 3.84Å; W210-C214 PolarHBondContact NE1-SG 3.46Å; W210-C214 PolarHBondContact O-N 2.87Å; W210-C214 PolarHBondContact O-SG 3.08Å; S211-C214 PolarHBondContact O-N 3.31Å; V212-C214 PolarHBondContact O-N 3.07Å; C214-E218 WeakPolarHBondContact O-CB 3.19Å; C214-E218 PolarHBondContact O-N 3.29Å; C214-F226 VanDerWaalsContact SG-CD2 3.56Å
215I98.4Very high96.1Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-68.4-44.2-179.1-65.5163.6000110.4L116 M137 L154 P156 L159 Y191 S211 V212 G213 E218 M219L116-I215 HydrophobicContact CD2-CG2 3.66Å; M137-I215 HydrophobicContact CE-CB 4.16Å; M137-I215 HydrophobicContact CE-CD1 3.8Å; M137-I215 HydrophobicContact CE-CG2 3.95Å; M137-I215 HydrophobicContact SD-CG2 4.3Å; L154-I215 HydrophobicContact CD2-CD1 4.24Å; L154-I215 HydrophobicContact CG-CD1 4.14Å; P156-I215 HydrophobicContact CG-CG1 4.19Å; P156-I215 HydrophobicContact CG-CG2 4.48Å; L159-I215 HydrophobicContact CD1-CD1 3.91Å; L159-I215 HydrophobicContact CD1-CG2 4.18Å; Y191-I215 HydrophobicContact CD1-CG1 3.68Å; Y191-I215 HydrophobicContact CE1-CG1 4Å; S211-I215 WeakPolarHBondContact O-CD1 3.48Å; S211-I215 WeakPolarHBondContact O-CG1 3.37Å; S211-I215 PolarHBondContact O-N 3.36Å; V212-I215 PolarHBondContact O-N 2.95Å; G213-I215 VanDerWaalsContact C-N 3.35Å; G213-I215 PolarHBondContact O-N 2.85Å; I215-E218 PolarHBondContact O-N 3.25Å; I215-M219 HydrophobicContact CG2-CE 4.13Å; I215-M219 WeakPolarHBondContact O-CG 3.33Å; I215-M219 PolarHBondContact O-N 3.3Å
216M98.3Very high96.3Very high0 Ų019.2 Ų19.20%011%0.112CC..Hα-helixtrans-60.9-46176.4177.2176.7178.900111.6I130 V134 V212 G213 E218 M219 I220 A284 L287 L288 Y310I130-M216 HydrophobicContact CG2-CG 4.36Å; V134-M216 HydrophobicContact CG1-SD 4.18Å; V134-M216 HydrophobicContact CG2-CB 3.89Å; V134-M216 HydrophobicContact CG2-CG 3.9Å; V134-M216 HydrophobicContact CG2-SD 4.16Å; V212-M216 WeakPolarHBondContact O-CB 3.47Å; V212-M216 PolarHBondContact O-N 2.64Å; G213-M216 PolarHBondContact O-N 3.27Å; M216-E218 VanDerWaalsContact C-N 3.31Å; M216-E218 PolarHBondContact O-N 3.03Å; M216-M219 HydrophobicContact CB-CE 4.46Å; M216-M219 PolarHBondContact O-N 3.49Å; M216-I220 HydrophobicContact CE-CD1 4.16Å; M216-I220 HydrophobicContact CG-CD1 4.08Å; M216-I220 WeakPolarHBondContact O-CG1 3.46Å; M216-I220 PolarHBondContact O-N 3.44Å; M216-A284 HydrophobicContact CE-CB 3.65Å; M216-L287 HydrophobicContact CE-CD2 4.16Å; M216-L287 HydrophobicContact SD-CD2 4.01Å; M216-L288 HydrophobicContact CB-CD2 4.02Å; M216-L288 HydrophobicContact CE-CD1 4.5Å; M216-L288 HydrophobicContact CE-CG 4.37Å; M216-L288 HydrophobicContact CG-CD1 4.33Å; M216-L288 HydrophobicContact CG-CD2 4.05Å; M216-L288 HydrophobicContact CG-CG 4.29Å; M216-L288 HydrophobicContact SD-CD2 4.09Å; M216-L288 HydrophobicContact SD-CG 4.01Å; M216-Y310 HydrophobicContact CE-CD1 4.13Å; M216-Y310 HydrophobicContact CE-CE1 3.54Å; M216-Y310 HydrophobicContact CE-CE2 4.46Å
217A97.3Very high96.3Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-61.8-38.1175.500000112.6G213 I220 T221 L225 L277 L288G213-A217 WeakPolarHBondContact O-CB 3.46Å; G213-A217 PolarHBondContact O-N 3.47Å; A217-I220 PolarHBondContact O-N 2.94Å; A217-T221 WeakPolarHBondContact O-CB 3.41Å; A217-T221 WeakPolarHBondContact O-CG2 3.37Å; A217-T221 PolarHBondContact O-N 3.05Å; A217-T221 PolarHBondContact O-OG1 3.01Å; A217-L225 HydrophobicContact CB-CB 4.19Å; A217-L225 HydrophobicContact CB-CD1 4.24Å; A217-L225 HydrophobicContact CB-CD2 3.72Å; A217-L225 HydrophobicContact CB-CG 4.27Å; A217-L277 HydrophobicContact CB-CD2 4.07Å; A217-L288 HydrophobicContact CB-CD1 4.33Å; A217-L288 HydrophobicContact CB-CD2 4.24Å
218E96.4Very high96.1Very high25 Ų2525.1 Ų25.112%0.11714%0.138CC..Hα-helixtrans-67.9-37.8175.8-170.3176.5153.200112M120 Y191 C214 I215 M216 G222 K223 T224M120-E218 HydrophobicContact CE-CB 3.75Å; M120-E218 HydrophobicContact CE-CG 3.32Å; Y191-E218 WeakPolarHBondContact CE1-OE2 3.37Å; Y191-E218 VanDerWaalsContact CZ-OE2 3.28Å; Y191-E218 PolarHBondContact OH-OE1 3.42Å; Y191-E218 PolarHBondContact OH-OE2 2.98Å; C214-E218 WeakPolarHBondContact O-CB 3.19Å; C214-E218 PolarHBondContact O-N 3.29Å; I215-E218 PolarHBondContact O-N 3.25Å; M216-E218 VanDerWaalsContact C-N 3.31Å; M216-E218 PolarHBondContact O-N 3.03Å; E218-G222 WeakPolarHBondContact O-CA 3.29Å; E218-G222 PolarHBondContact O-N 3.27Å; E218-K223 WeakPolarHBondContact CA-O 3.3Å; E218-K223 WeakPolarHBondContact CG-O 3.27Å; E218-T224 WeakPolarHBondContact OE2-CA 3.16Å; E218-T224 PolarHBondContact OE2-OG1 2.96Å
219M96.9Very high95.7Very high10 Ų1029.2 Ų29.25%0.04917%0.166CC..Hα-helixtrans-63-41174.6-72.4-169.8-70.400112.3L116 M120 L125 I130 L133 V134 I215 M216L116-M219 HydrophobicContact CD1-SD 4.01Å; L116-M219 HydrophobicContact CD2-SD 3.92Å; L116-M219 HydrophobicContact CG-SD 4.48Å; M120-M219 HydrophobicContact CE-CB 4.4Å; M120-M219 HydrophobicContact CE-CG 3.78Å; M120-M219 HydrophobicContact CG-CG 4.2Å; M120-M219 HydrophobicContact SD-CG 3.62Å; L125-M219 HydrophobicContact CD1-CB 4.11Å; L125-M219 HydrophobicContact CD1-CG 3.78Å; L125-M219 HydrophobicContact CD1-SD 3.71Å; I130-M219 HydrophobicContact CD1-CB 4.06Å; I130-M219 HydrophobicContact CG1-CB 4.02Å; I130-M219 HydrophobicContact CG2-CB 4.42Å; I130-M219 HydrophobicContact CG2-CE 4.22Å; L133-M219 HydrophobicContact CB-SD 4.43Å; L133-M219 HydrophobicContact CD1-SD 4.12Å; V134-M219 HydrophobicContact CG2-CE 3.38Å; I215-M219 HydrophobicContact CG2-CE 4.13Å; I215-M219 WeakPolarHBondContact O-CG 3.33Å; I215-M219 PolarHBondContact O-N 3.3Å; M216-M219 HydrophobicContact CB-CE 4.46Å; M216-M219 PolarHBondContact O-N 3.49Å
220I95.6Very high95.1Very high20 Ų2032.9 Ų32.910%0.10319%0.186CC..Hα-helixtrans-68.7-45.4179.1-67.7167.4000111.3I130 M216 A217 A280 A284 L288I130-I220 HydrophobicContact CD1-CB 4.46Å; I130-I220 HydrophobicContact CD1-CG1 3.82Å; I130-I220 HydrophobicContact CG2-CG1 4.28Å; M216-I220 HydrophobicContact CE-CD1 4.16Å; M216-I220 HydrophobicContact CG-CD1 4.08Å; M216-I220 WeakPolarHBondContact O-CG1 3.46Å; M216-I220 PolarHBondContact O-N 3.44Å; A217-I220 PolarHBondContact O-N 2.94Å; I220-A280 HydrophobicContact CD1-CB 4.21Å; I220-A280 HydrophobicContact CG2-CB 3.99Å; I220-A284 HydrophobicContact CD1-CB 4.23Å; I220-L288 HydrophobicContact CD1-CD1 3.86Å
221T93.4Very high94.4Very high47 Ų4737.4 Ų37.429%0.28821%0.207SC..Hα-helixtrans-94.5-17-170.163.10000113.8A217 K223 L277A217-T221 WeakPolarHBondContact O-CB 3.41Å; A217-T221 WeakPolarHBondContact O-CG2 3.37Å; A217-T221 PolarHBondContact O-N 3.05Å; A217-T221 PolarHBondContact O-OG1 3.01Å; T221-K223 PolarHBondContact O-N 3.35Å; T221-K223 PolarHBondContact OG1-N 2.79Å; T221-K223 PolarHBondContact OG1-O 3.42Å; T221-L277 HydrophobicContact CG2-CD2 3.9Å
222G92.7Very high93.7Very high61 Ų6141 Ų4163%0.62923%0.225SC*.SBendtrans6813.3-169.600000113.9E218E218-G222 WeakPolarHBondContact O-CA 3.29Å; E218-G222 PolarHBondContact O-N 3.27Å
223K92.6Very high93.2Very high159 Ų15943.1 Ų43.169%0.69124%0.236SC*.SBendtrans-134134.1-176.1-65.1180-175.6173.70110.9E218 T221 L225E218-K223 WeakPolarHBondContact CA-O 3.3Å; E218-K223 WeakPolarHBondContact CG-O 3.27Å; T221-K223 PolarHBondContact O-N 3.35Å; T221-K223 PolarHBondContact OG1-N 2.79Å; T221-K223 PolarHBondContact OG1-O 3.42Å; K223-L225 PolarHBondContact O-N 3.13Å; K223-L225 VanDerWaalsContact O-N 3.16Å
224T95.1Very high92.9Very high33 Ų3343.1 Ų43.120%0.20224%0.236CC..  trans-54.7122.6174.1-54.50000109.9W190 E218 K227W190-T224 HydrophobicContact CB-CG2 3.76Å; W190-T224 HydrophobicContact CD2-CG2 3.96Å; W190-T224 HydrophobicContact CE3-CG2 3.7Å; W190-T224 HydrophobicContact CG-CG2 4.02Å; E218-T224 WeakPolarHBondContact OE2-CA 3.16Å; E218-T224 PolarHBondContact OE2-OG1 2.96Å; T224-K227 HydrophobicContact CG2-CB 4.26Å
225L95.8Very high92.4Very high29 Ų2943 Ų4315%0.15224%0.236CC..SBendtrans-63.9-47.5-172.2-177.963.5000112.6A217 K223 I276 L292A217-L225 HydrophobicContact CB-CB 4.19Å; A217-L225 HydrophobicContact CB-CD1 4.24Å; A217-L225 HydrophobicContact CB-CD2 3.72Å; A217-L225 HydrophobicContact CB-CG 4.27Å; K223-L225 PolarHBondContact O-N 3.13Å; K223-L225 VanDerWaalsContact O-N 3.16Å; L225-I276 HydrophobicContact CD1-CG2 4.38Å; L225-L292 HydrophobicContact CD2-CD1 3.48Å; L225-L292 VanDerWaalsContact CD2-CD1 3.48Å
226F95.9Very high92Very high1 Ų147.6 Ų47.60%0.00426%0.256CS..  trans-123.596.3-178.9-52.9-56.8000110.3W190 W210 C214 Q234 E237 I238 V241 L292W190-F226 VanDerWaalsContact CB-O 3.31Å; W190-F226 WeakPolarHBondContact CB-O 3.42Å; W210-F226 HydrophobicContact CH2-CE2 4.24Å; W210-F226 HydrophobicContact CZ2-CD2 4.08Å; W210-F226 AromaticContact CZ2-CE2 3.51Å; W210-F226 HydrophobicContact CZ2-CE2 3.51Å; W210-F226 HydrophobicContact CZ2-CZ 4.15Å; C214-F226 VanDerWaalsContact SG-CD2 3.56Å; F226-Q234 PolarHBondContact O-NE2 3.36Å; F226-Q234 PolarHBondContact O-OE1 3.36Å; F226-E237 HydrophobicContact CB-CB 4.44Å; F226-I238 HydrophobicContact CB-CG1 4.1Å; F226-I238 HydrophobicContact CD1-CB 4.46Å; F226-I238 HydrophobicContact CD1-CG1 3.99Å; F226-I238 HydrophobicContact CD2-CG1 3.88Å; F226-I238 HydrophobicContact CE1-CG1 4.37Å; F226-I238 HydrophobicContact CE2-CG1 4.26Å; F226-I238 HydrophobicContact CG-CG1 3.72Å; F226-I238 HydrophobicContact CZ-CG1 4.49Å; F226-V241 HydrophobicContact CE1-CB 3.87Å; F226-V241 HydrophobicContact CE1-CG1 4.34Å; F226-V241 HydrophobicContact CE1-CG2 3.83Å; F226-V241 HydrophobicContact CZ-CB 4.47Å; F226-L292 HydrophobicContact CE2-CD2 4.24Å
227K94Very high91.8Very high134 Ų13450 Ų5058%0.58327%0.267SS*.  trans-108.473.5-174.5-165.5-175.4179.2179.90111.8W190 T224W190-K227 HydrophobicContact CD2-CG 4.18Å; W190-K227 HydrophobicContact CH2-CD 4.45Å; W190-K227 HydrophobicContact CH2-CG 4.23Å; W190-K227 HydrophobicContact CZ2-CD 4.33Å; W190-K227 HydrophobicContact CZ2-CG 3.72Å; T224-K227 HydrophobicContact CG2-CB 4.26Å
228G90.9Very high91.7Very high3 Ų350 Ų503%0.03127%0.267CS..  trans-81.7144.2174.600000113.6W190 Q234W190-G228 PolarHBondContact NE1-O 2.95Å; W190-G228 VanDerWaalsContact NE1-O 3.07Å; G228-Q234 VanDerWaalsContact CA-OE1 3.32Å
229S87.7Confident91.5Very high86 Ų8649 Ų4960%0.60126%0.262SS*.SBendtrans-77.4-32.5176.156.60000113.2R189 D233R189-S229 PolarHBondContact NH1-O 2.97Å; S229-D233 WeakPolarHBondContact CB-OD2 3.42Å; S229-D233 PolarHBondContact N-OD2 3.16Å; S229-D233 PolarHBondContact OG-OD2 3.22Å
230D85Confident91.3Very high76 Ų7653 Ų5341%0.40628%0.28SS..SBendtrans-139.8-173.9174.765.549.5000111.7L232 D233 Q234D230-L232 WeakPolarHBondContact OD1-CA 3.07Å; D230-L232 PolarHBondContact OD1-N 3.42Å; D230-D233 PolarHBondContact OD1-N 3.18Å; D230-Q234 WeakPolarHBondContact O-CB 3.46Å; D230-Q234 PolarHBondContact O-N 3.02Å
231H82.9Confident91.3Very high95 Ų9552.8 Ų52.844%0.4428%0.279SS..Hα-helixtrans-65.4-38.6-178-64.396.3000113I197 L235I197-H231 HydrophobicContact CG2-CB 3.95Å; H231-L235 PolarHBondContact O-N 3.33Å
232L83.9Confident91.3Very high80 Ų8051.3 Ų51.342%0.41927%0.27SS..Hα-helixtrans-75.6-42.4-178.6-62.6-179.6000110.6D230 Q234 L235 K236 Y261D230-L232 WeakPolarHBondContact OD1-CA 3.07Å; D230-L232 PolarHBondContact OD1-N 3.42Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-L235 PolarHBondContact O-N 2.97Å; L232-K236 WeakPolarHBondContact O-CG 3.26Å; L232-K236 PolarHBondContact O-N 2.85Å; L232-Y261 HydrophobicContact CD1-CE2 4.29Å; L232-Y261 HydrophobicContact CD2-CD2 4.33Å; L232-Y261 HydrophobicContact CD2-CE1 4.25Å; L232-Y261 HydrophobicContact CD2-CE2 3.79Å
233D88.4Confident91.4Very high44 Ų4448.5 Ų48.524%0.23524%0.241CC..Hα-helixtrans-62.6-41175.1-167.244.8000111.3S229 D230 L235 K236 E237S229-D233 WeakPolarHBondContact CB-OD2 3.42Å; S229-D233 PolarHBondContact N-OD2 3.16Å; S229-D233 PolarHBondContact OG-OD2 3.22Å; D230-D233 PolarHBondContact OD1-N 3.18Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 2.71Å; D233-K236 WeakPolarHBondContact O-CB 3.32Å; D233-K236 PolarHBondContact O-N 3.24Å; D233-E237 WeakPolarHBondContact O-CG 2.77Å; D233-E237 PolarHBondContact O-N 3.06Å
234Q91.1Very high91.3Very high0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-57-44.7172.9-175.56730.100111.9R189 W190 I197 F226 G228 D230 L232 E237 I238R189-Q234 HydrophobicContact CG-CB 4.46Å; R189-Q234 HydrophobicContact CG-CG 4.31Å; W190-Q234 PolarHBondContact O-NE2 3.36Å; I197-Q234 HydrophobicContact CD1-CB 4.35Å; I197-Q234 HydrophobicContact CD1-CG 3.44Å; I197-Q234 VanDerWaalsContact CD1-CG 3.44Å; F226-Q234 PolarHBondContact O-NE2 3.36Å; F226-Q234 PolarHBondContact O-OE1 3.36Å; G228-Q234 VanDerWaalsContact CA-OE1 3.32Å; D230-Q234 WeakPolarHBondContact O-CB 3.46Å; D230-Q234 PolarHBondContact O-N 3.02Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; Q234-E237 PolarHBondContact O-N 3.41Å; Q234-I238 HydrophobicContact CG-CD1 4.3Å; Q234-I238 VanDerWaalsContact O-CG1 3.31Å; Q234-I238 WeakPolarHBondContact O-CG1 3.43Å; Q234-I238 PolarHBondContact O-N 3.17Å; Q234-I238 VanDerWaalsContact O-N 3.08Å
235L88.7Confident90.9Very high1 Ų141.6 Ų41.61%0.00521%0.213CC..Hα-helixtrans-65-41.4178.3-166.771.4000111.6P194 L198 H231 L232 D233 E237 I238 M239 Y261 M262P194-L235 HydrophobicContact CB-CD1 3.95Å; L198-L235 HydrophobicContact CD1-CD1 3.71Å; L198-L235 HydrophobicContact CD1-CD2 3.62Å; L198-L235 HydrophobicContact CD1-CG 4.26Å; L198-L235 HydrophobicContact CD2-CD2 4.31Å; L198-L235 HydrophobicContact CG-CD1 4.47Å; L198-L235 HydrophobicContact CG-CD2 4.46Å; H231-L235 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 2.97Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 2.71Å; L235-E237 VanDerWaalsContact C-N 3.35Å; L235-E237 PolarHBondContact O-N 3Å; L235-I238 WeakPolarHBondContact O-CB 3.36Å; L235-I238 PolarHBondContact O-N 3.34Å; L235-I238 VanDerWaalsContact O-N 3.16Å; L235-M239 HydrophobicContact CB-CE 4.35Å; L235-M239 HydrophobicContact CD2-CE 3.83Å; L235-M239 HydrophobicContact CG-CE 3.64Å; L235-M239 HydrophobicContact CG-SD 4.38Å; L235-M239 WeakPolarHBondContact O-CE 3.33Å; L235-M239 PolarHBondContact O-N 3.07Å; L235-Y261 HydrophobicContact CD2-CD1 4.2Å; L235-Y261 HydrophobicContact CD2-CE1 3.81Å; L235-M262 HydrophobicContact CD2-SD 3.84Å
236K89.8Confident90.5Very high95 Ų9544.4 Ų44.441%0.41323%0.233SC..Hα-helixtrans-59.1-44.8175.1-71174.3-175.8175.90111.6L232 D233 I238 M239 K240L232-K236 WeakPolarHBondContact O-CG 3.26Å; L232-K236 PolarHBondContact O-N 2.85Å; D233-K236 WeakPolarHBondContact O-CB 3.32Å; D233-K236 PolarHBondContact O-N 3.24Å; K236-I238 VanDerWaalsContact C-N 3.28Å; K236-I238 PolarHBondContact O-N 2.83Å; K236-M239 PolarHBondContact O-N 3.09Å; K236-K240 VanDerWaalsContact O-CG 3.31Å; K236-K240 WeakPolarHBondContact O-CG 3.45Å; K236-K240 PolarHBondContact O-N 2.7Å
237E94.3Very high90.1Very high50 Ų5047.9 Ų47.923%0.23426%0.261CS..Hα-helixtrans-60.4-38.3175.6-69.4-52.4123.500112.2F226 D233 Q234 L235 K240F226-E237 HydrophobicContact CB-CB 4.44Å; D233-E237 WeakPolarHBondContact O-CG 2.77Å; D233-E237 PolarHBondContact O-N 3.06Å; Q234-E237 PolarHBondContact O-N 3.41Å; L235-E237 VanDerWaalsContact C-N 3.35Å; L235-E237 PolarHBondContact O-N 3Å; E237-K240 IonicContact OE1-NZ 3.96Å; E237-K240 PolarHBondContact OE1-NZ 2.86Å; E237-K240 IonicContact OE2-NZ 2.66Å
238I94.8Very high89.7Confident0 Ų048 Ų480%026%0.264CS..Hα-helixtrans-63.7-50175.3-68.7169.6000111.3P194 I197 W210 F226 Q234 L235 K236 K240 V241 T242 L294P194-I238 HydrophobicContact CB-CD1 4.37Å; I197-I238 HydrophobicContact CD1-CD1 3.93Å; W210-I238 HydrophobicContact CH2-CG2 3.52Å; W210-I238 HydrophobicContact CZ2-CB 4.42Å; W210-I238 HydrophobicContact CZ2-CD1 3.86Å; W210-I238 HydrophobicContact CZ2-CG1 3.91Å; W210-I238 HydrophobicContact CZ2-CG2 3.66Å; F226-I238 HydrophobicContact CB-CG1 4.1Å; F226-I238 HydrophobicContact CD1-CB 4.46Å; F226-I238 HydrophobicContact CD1-CG1 3.99Å; F226-I238 HydrophobicContact CD2-CG1 3.88Å; F226-I238 HydrophobicContact CE1-CG1 4.37Å; F226-I238 HydrophobicContact CE2-CG1 4.26Å; F226-I238 HydrophobicContact CG-CG1 3.72Å; F226-I238 HydrophobicContact CZ-CG1 4.49Å; Q234-I238 HydrophobicContact CG-CD1 4.3Å; Q234-I238 VanDerWaalsContact O-CG1 3.31Å; Q234-I238 WeakPolarHBondContact O-CG1 3.43Å; Q234-I238 PolarHBondContact O-N 3.17Å; Q234-I238 VanDerWaalsContact O-N 3.08Å; L235-I238 WeakPolarHBondContact O-CB 3.36Å; L235-I238 PolarHBondContact O-N 3.34Å; L235-I238 VanDerWaalsContact O-N 3.16Å; K236-I238 VanDerWaalsContact C-N 3.28Å; K236-I238 PolarHBondContact O-N 2.83Å; I238-K240 VanDerWaalsContact C-N 3.31Å; I238-K240 PolarHBondContact O-N 2.87Å; I238-V241 PolarHBondContact O-N 2.83Å; I238-V241 VanDerWaalsContact O-N 3.13Å; I238-T242 HydrophobicContact CG2-CG2 4.34Å; I238-T242 PolarHBondContact O-N 3.41Å; I238-T242 PolarHBondContact O-OG1 2.73Å; I238-L294 HydrophobicContact CG2-CD2 3.8Å
239M92.5Very high89.5Confident4 Ų448.1 Ų48.12%0.0226%0.263CS..Hα-helixtrans-70.1-25.6-177.2-70.2179.4-65.400113L235 K236 V241 G243 T244 M262 L265 L268L235-M239 HydrophobicContact CB-CE 4.35Å; L235-M239 HydrophobicContact CD2-CE 3.83Å; L235-M239 HydrophobicContact CG-CE 3.64Å; L235-M239 HydrophobicContact CG-SD 4.38Å; L235-M239 WeakPolarHBondContact O-CE 3.33Å; L235-M239 PolarHBondContact O-N 3.07Å; K236-M239 PolarHBondContact O-N 3.09Å; M239-V241 PolarHBondContact O-N 3.09Å; M239-V241 VanDerWaalsContact O-N 3.11Å; M239-G243 CarbonylContact O-C 3.53Å; M239-G243 VanDerWaalsContact O-CA 3.27Å; M239-G243 WeakPolarHBondContact O-CA 3.26Å; M239-G243 PolarHBondContact O-N 2.87Å; M239-T244 HydrophobicContact SD-CG2 4.35Å; M239-M262 HydrophobicContact SD-CE 3.69Å; M239-M262 HydrophobicContact SD-SD 4.19Å; M239-L265 HydrophobicContact CE-CD1 3.25Å; M239-L265 HydrophobicContact CE-CG 4.49Å; M239-L265 HydrophobicContact SD-CD1 3.64Å; M239-L268 HydrophobicContact CB-CD1 4.21Å
240K93.3Very high89.4Confident95 Ų9544.7 Ų44.741%0.41324%0.239SC..Hα-helixtrans-59.2-19.5170.6-79.6174.3-175.4173.80113.6K236 E237 I238 K271K236-K240 VanDerWaalsContact O-CG 3.31Å; K236-K240 WeakPolarHBondContact O-CG 3.45Å; K236-K240 PolarHBondContact O-N 2.7Å; E237-K240 IonicContact OE1-NZ 3.96Å; E237-K240 PolarHBondContact OE1-NZ 2.86Å; E237-K240 IonicContact OE2-NZ 2.66Å; I238-K240 VanDerWaalsContact C-N 3.31Å; I238-K240 PolarHBondContact O-N 2.87Å; K240-K271 WeakPolarHBondContact O-CD 3.3Å; K240-K271 WeakPolarHBondContact O-CE 3.3Å; K240-K271 PolarHBondContact O-NZ 3.3Å
241V94.4Very high89.5Confident15 Ų1548.1 Ų48.19%0.09125%0.253CS..Hα-helixtrans-108.6-48.8179.1173.40000110.8F226 I238 M239 K271 F273 I276F226-V241 HydrophobicContact CE1-CB 3.87Å; F226-V241 HydrophobicContact CE1-CG1 4.34Å; F226-V241 HydrophobicContact CE1-CG2 3.83Å; F226-V241 HydrophobicContact CZ-CB 4.47Å; I238-V241 PolarHBondContact O-N 2.83Å; I238-V241 VanDerWaalsContact O-N 3.13Å; M239-V241 PolarHBondContact O-N 3.09Å; M239-V241 VanDerWaalsContact O-N 3.11Å; V241-K271 PolarHBondContact O-N 2.92Å; V241-F273 HydrophobicContact CG1-CD2 4.32Å; V241-F273 HydrophobicContact CG1-CE2 3.62Å; V241-F273 HydrophobicContact CG1-CZ 3.9Å; V241-I276 HydrophobicContact CB-CD1 4.19Å; V241-I276 HydrophobicContact CG1-CD1 3.54Å; V241-I276 HydrophobicContact CG2-CD1 3.92Å
242T94.3Very high89.5Confident17 Ų1747.5 Ų47.510%0.10425%0.246CC..Hα-helixtrans-83.3-12.4-173.654.40000114.2W210 I238W210-T242 HydrophobicContact CH2-CG2 4.1Å; I238-T242 HydrophobicContact CG2-CG2 4.34Å; I238-T242 PolarHBondContact O-N 3.41Å; I238-T242 PolarHBondContact O-OG1 2.73Å
243G93.2Very high89.4Confident2 Ų243.8 Ų43.82%0.02123%0.227CC..  trans80.8171.6-17000000112.4M239 L268 L294M239-G243 CarbonylContact O-C 3.53Å; M239-G243 VanDerWaalsContact O-CA 3.27Å; M239-G243 WeakPolarHBondContact O-CA 3.26Å; M239-G243 PolarHBondContact O-N 2.87Å; G243-L268 CarbonylContact C-O 3.59Å; G243-L268 WeakPolarHBondContact CA-O 3.29Å; G243-L294 WeakPolarHBondContact O-CD1 3.43Å
244T90.8Very high89Confident31 Ų3148.6 Ų48.619%0.1925%0.248CC..PPolyproline II helixtrans-75.4140.2168.740.50000110M239 P266 L268M239-T244 HydrophobicContact SD-CG2 4.35Å; T244-P266 WeakPolarHBondContact CG2-O 3.36Å; T244-L268 HydrophobicContact CG2-CB 4.18Å; T244-L268 HydrophobicContact CG2-CG 4.41Å; T244-L268 PolarHBondContact N-O 3.32Å; T244-L268 PolarHBondContact OG1-N 2.94Å; T244-L268 PolarHBondContact OG1-O 2.67Å
245P87.4Confident88.5Confident16 Ų1649.9 Ų49.910%0.10426%0.257CS..PPolyproline II helixtrans-69.6152.1-179.527.8-32.7000111.8F249 V250 M262 L294P245-F249 HydrophobicContact CB-CB 4.06Å; P245-F249 HydrophobicContact CB-CD1 3.32Å; P245-F249 HydrophobicContact CB-CE1 4Å; P245-F249 HydrophobicContact CB-CG 3.88Å; P245-F249 HydrophobicContact CG-CD1 3.75Å; P245-F249 HydrophobicContact CG-CE1 4.16Å; P245-V250 HydrophobicContact CG-CG2 4.06Å; P245-M262 HydrophobicContact CG-CE 3.19Å; P245-L294 HydrophobicContact CB-CD1 3.95Å; P245-L294 HydrophobicContact CG-CD1 4.33Å
246P87.8Confident88.2Confident88 Ų8854.5 Ų54.557%0.57128%0.282SS*.PPolyproline II helixtrans-65.1156.8178.728.2-35000111.5E248 F249 V250P246-E248 PolarHBondContact O-N 2.88Å; P246-E248 VanDerWaalsContact O-N 3.12Å; P246-F249 HydrophobicContact CG-CB 4.05Å; P246-F249 WeakPolarHBondContact O-CB 3.5Å; P246-F249 PolarHBondContact O-N 3.22Å; P246-V250 PolarHBondContact O-N 2.83Å
247A86.5Confident87.8Confident73 Ų7356.8 Ų56.860%0.60329%0.294SS*.Hα-helixtrans-54.5-35.1-17900000113.4F249 V250 Q251A247-F249 PolarHBondContact O-N 2.93Å; A247-V250 PolarHBondContact O-N 2.99Å; A247-Q251 WeakPolarHBondContact O-CG 3.32Å; A247-Q251 PolarHBondContact O-N 2.76Å
248E86.8Confident87.1Confident138 Ų13854.9 Ų54.965%0.64529%0.286SS*.Hα-helixtrans-61.2-41.7175.7-172.4-169.6161.600112.5P246 Q251 R252P246-E248 PolarHBondContact O-N 2.88Å; P246-E248 VanDerWaalsContact O-N 3.12Å; E248-Q251 PolarHBondContact O-N 3.37Å; E248-R252 PolarHBondContact O-N 3.2Å
249F85.4Confident86.7Confident4 Ų457 Ų572%0.01830%0.295CS..Hα-helixtrans-65.6-44.2175.6175.8-90.2000110.8W200 M201 P245 P246 A247 Q251 R252 L253 D295W200-F249 AromaticContact CH2-CE1 3.86Å; W200-F249 HydrophobicContact CH2-CE1 3.86Å; W200-F249 HydrophobicContact CH2-CZ 4.38Å; W200-F249 AromaticContact CZ2-CE1 3.73Å; W200-F249 HydrophobicContact CZ2-CE1 3.73Å; W200-F249 AromaticContact CZ2-CZ 3.78Å; W200-F249 HydrophobicContact CZ2-CZ 3.78Å; M201-F249 HydrophobicContact SD-CE2 4.18Å; M201-F249 HydrophobicContact SD-CZ 4.32Å; P245-F249 HydrophobicContact CB-CB 4.06Å; P245-F249 HydrophobicContact CB-CD1 3.32Å; P245-F249 HydrophobicContact CB-CE1 4Å; P245-F249 HydrophobicContact CB-CG 3.88Å; P245-F249 HydrophobicContact CG-CD1 3.75Å; P245-F249 HydrophobicContact CG-CE1 4.16Å; P246-F249 HydrophobicContact CG-CB 4.05Å; P246-F249 WeakPolarHBondContact O-CB 3.5Å; P246-F249 PolarHBondContact O-N 3.22Å; A247-F249 PolarHBondContact O-N 2.93Å; F249-Q251 PolarHBondContact O-N 3.18Å; F249-R252 PolarHBondContact O-N 3.49Å; F249-R252 VanDerWaalsContact O-N 3.07Å; F249-L253 HydrophobicContact CD1-CD2 4.46Å; F249-L253 HydrophobicContact CE1-CD2 3.85Å; F249-L253 HydrophobicContact CZ-CD2 4.13Å; F249-D295 HydrophobicContact CD2-CB 3.99Å; F249-D295 HydrophobicContact CE2-CB 4.09Å
250V86.3Confident86.4Confident14 Ų1461.9 Ų61.99%0.08532%0.322CS..Hα-helixtrans-60.2-35.5178.8-1790000111.3P245 P246 A247 R252 L253 K259 M262 K263P245-V250 HydrophobicContact CG-CG2 4.06Å; P246-V250 PolarHBondContact O-N 2.83Å; A247-V250 PolarHBondContact O-N 2.99Å; V250-R252 VanDerWaalsContact C-N 3.34Å; V250-R252 PolarHBondContact O-N 2.89Å; V250-L253 HydrophobicContact CG1-CD1 4.31Å; V250-L253 WeakPolarHBondContact O-CB 3.34Å; V250-L253 WeakPolarHBondContact O-CG 3.18Å; V250-L253 PolarHBondContact O-N 3.07Å; V250-K259 HydrophobicContact CG1-CG 4.48Å; V250-K259 WeakPolarHBondContact O-CG 3.42Å; V250-M262 HydrophobicContact CG1-CB 4.13Å; V250-M262 HydrophobicContact CG2-CB 4.22Å; V250-K263 HydrophobicContact CG1-CG 4.41Å
251Q86.1Confident85.9Confident149 Ų14960.4 Ų60.470%0.69631%0.314SS*.Hα-helixtrans-66.6-31.6176.9-73177.113.600113.5A247 E248 F249 L253A247-Q251 WeakPolarHBondContact O-CG 3.32Å; A247-Q251 PolarHBondContact O-N 2.76Å; E248-Q251 PolarHBondContact O-N 3.37Å; F249-Q251 PolarHBondContact O-N 3.18Å; Q251-L253 VanDerWaalsContact C-N 3.29Å; Q251-L253 PolarHBondContact O-N 2.85Å
252R84.4Confident85.4Confident82 Ų8260.4 Ų60.431%0.30931%0.313SS..Hα-helixtrans-75.3-13179.2-75.1-172.1-74.4138.7-6.6114.6M201 E248 F249 V250 Q254 D295M201-R252 HydrophobicContact CE-CB 4.24Å; E248-R252 PolarHBondContact O-N 3.2Å; F249-R252 PolarHBondContact O-N 3.49Å; F249-R252 VanDerWaalsContact O-N 3.07Å; V250-R252 VanDerWaalsContact C-N 3.34Å; V250-R252 PolarHBondContact O-N 2.89Å; R252-Q254 PolarHBondContact O-NE2 2.79Å; R252-D295 IonicContact CZ-OD1 3.07Å; R252-D295 IonicContact CZ-OD2 2.71Å; R252-D295 IonicContact NH1-OD1 3.27Å; R252-D295 PolarHBondContact NH1-OD1 3.31Å; R252-D295 VanDerWaalsContact NH1-OD1 3.12Å; R252-D295 IonicContact NH1-OD2 3.61Å; R252-D295 PolarHBondContact NH1-OD2 2.85Å; R252-D295 IonicContact NH2-OD1 3Å; R252-D295 IonicContact NH2-OD2 3.52Å; R252-D295 PolarHBondContact NH2-OD2 2.95Å
253L81.6Confident84.9Confident2 Ų266.9 Ų66.91%0.0134%0.34CS..  trans-58.5144.1176.4-59.6-178.7000110.7W200 M201 F249 V250 Q251 K259 M262W200-L253 HydrophobicContact CB-CD2 4.23Å; W200-L253 HydrophobicContact CD2-CD1 4.22Å; W200-L253 HydrophobicContact CD2-CD2 3.34Å; W200-L253 HydrophobicContact CD2-CG 4.35Å; W200-L253 HydrophobicContact CE3-CD1 3.53Å; W200-L253 HydrophobicContact CE3-CD2 3.55Å; W200-L253 HydrophobicContact CE3-CG 4.14Å; W200-L253 HydrophobicContact CG-CD2 3.65Å; W200-L253 HydrophobicContact CH2-CD2 4.46Å; W200-L253 HydrophobicContact CZ2-CD2 4.26Å; W200-L253 HydrophobicContact CZ3-CD1 3.8Å; W200-L253 HydrophobicContact CZ3-CD2 4.11Å; M201-L253 HydrophobicContact CG-CD2 4.02Å; M201-L253 HydrophobicContact SD-CD2 4.06Å; F249-L253 HydrophobicContact CD1-CD2 4.46Å; F249-L253 HydrophobicContact CE1-CD2 3.85Å; F249-L253 HydrophobicContact CZ-CD2 4.13Å; V250-L253 HydrophobicContact CG1-CD1 4.31Å; V250-L253 WeakPolarHBondContact O-CB 3.34Å; V250-L253 WeakPolarHBondContact O-CG 3.18Å; V250-L253 PolarHBondContact O-N 3.07Å; Q251-L253 VanDerWaalsContact C-N 3.29Å; Q251-L253 PolarHBondContact O-N 2.85Å; L253-K259 HydrophobicContact CB-CG 3.87Å; L253-K259 HydrophobicContact CD1-CG 4.29Å; L253-K259 WeakPolarHBondContact O-CE 3.42Å; L253-K259 PolarHBondContact O-NZ 2.81Å; L253-M262 HydrophobicContact CD1-CG 4.15Å
254Q80.6Confident84.5Confident145 Ų14570 Ų7068%0.67837%0.372SS*.SBendtrans-89.8-29.2-179-60.1-64.3-52.800112.4W200 R252W200-Q254 WeakPolarHBondContact O-CB 3.43Å; W200-Q254 PolarHBondContact O-N 2.94Å; R252-Q254 PolarHBondContact O-NE2 2.79Å
255S80.1Confident84.2Confident27 Ų2770.2 Ų70.219%0.18937%0.372CS..  trans-90.3128.9177.9159.90000111.5E257 A258 K259S255-E257 PolarHBondContact OG-N 3.48Å; S255-E257 PolarHBondContact OG-OE2 3.05Å; S255-A258 WeakPolarHBondContact O-CB 3.45Å; S255-A258 PolarHBondContact O-N 2.71Å; S255-A258 PolarHBondContact OG-N 3.07Å; S255-A258 VanDerWaalsContact OG-N 3.09Å; S255-K259 WeakPolarHBondContact O-CG 3.44Å; S255-K259 PolarHBondContact O-N 3.21Å; S255-K259 VanDerWaalsContact O-N 3.07Å
256D82.6Confident84.2Confident97 Ų9774.2 Ų74.252%0.51940%0.398SS..Hα-helixtrans-73.5-31.9176.6-72.2-28.4000112A258 K259 N260D256-A258 VanDerWaalsContact C-N 3.32Å; D256-A258 PolarHBondContact O-N 2.86Å; D256-K259 PolarHBondContact O-N 3.33Å; D256-K259 IonicContact OD1-NZ 3.86Å; D256-K259 PolarHBondContact OD1-NZ 3.31Å; D256-N260 WeakPolarHBondContact O-CB 3.45Å; D256-N260 VanDerWaalsContact O-CG 3.27Å; D256-N260 PolarHBondContact O-N 3.19Å; D256-N260 PolarHBondContact O-ND2 2.83Å
257E81.5Confident84.4Confident144 Ų14478.1 Ų78.167%0.67341%0.408SS*.Hα-helixtrans-60-46.3171.9-58.673.8-160.600110.4S255 N260 Y261S255-E257 PolarHBondContact OG-N 3.48Å; S255-E257 PolarHBondContact OG-OE2 3.05Å; E257-N260 PolarHBondContact O-N 3.23Å; E257-Y261 WeakPolarHBondContact O-CB 3.36Å; E257-Y261 PolarHBondContact O-N 2.74Å
258A79.6Confident84.7Confident9 Ų978 Ų787%0.07440%0.397CS..Hα-helixtrans-61.9-44.7175.800000112.1W200 S255 D256 N260 Y261 M262W200-A258 HydrophobicContact CB-CB 4.01Å; W200-A258 HydrophobicContact CE3-CB 4.05Å; S255-A258 WeakPolarHBondContact O-CB 3.45Å; S255-A258 PolarHBondContact O-N 2.71Å; S255-A258 PolarHBondContact OG-N 3.07Å; S255-A258 VanDerWaalsContact OG-N 3.09Å; D256-A258 VanDerWaalsContact C-N 3.32Å; D256-A258 PolarHBondContact O-N 2.86Å; A258-N260 PolarHBondContact O-N 3.37Å; A258-Y261 PolarHBondContact O-N 3.19Å; A258-M262 VanDerWaalsContact O-CG 3.26Å; A258-M262 WeakPolarHBondContact O-CG 3.43Å; A258-M262 PolarHBondContact O-N 3Å
259K85Confident85Confident44 Ų4479.1 Ų79.119%0.19140%0.402CS..Hα-helixtrans-57.7-47.3175.1-73.3175-170.3156.80112.2V250 L253 S255 D256 Y261 M262 K263V250-K259 HydrophobicContact CG1-CG 4.48Å; V250-K259 WeakPolarHBondContact O-CG 3.42Å; L253-K259 HydrophobicContact CB-CG 3.87Å; L253-K259 HydrophobicContact CD1-CG 4.29Å; L253-K259 WeakPolarHBondContact O-CE 3.42Å; L253-K259 PolarHBondContact O-NZ 2.81Å; S255-K259 WeakPolarHBondContact O-CG 3.44Å; S255-K259 PolarHBondContact O-N 3.21Å; S255-K259 VanDerWaalsContact O-N 3.07Å; D256-K259 PolarHBondContact O-N 3.33Å; D256-K259 IonicContact OD1-NZ 3.86Å; D256-K259 PolarHBondContact OD1-NZ 3.31Å; K259-Y261 VanDerWaalsContact C-N 3.33Å; K259-M262 PolarHBondContact O-N 3.32Å; K259-K263 WeakPolarHBondContact O-CG 3.27Å; K259-K263 PolarHBondContact O-N 2.66Å
260N86Confident85.4Confident107 Ų10783.9 Ų83.957%0.57242%0.423SS*.Hα-helixtrans-65.9-39.3-178.6-71.4-23.4000111.4D256 E257 A258 G264D256-N260 WeakPolarHBondContact O-CB 3.45Å; D256-N260 VanDerWaalsContact O-CG 3.27Å; D256-N260 PolarHBondContact O-N 3.19Å; D256-N260 PolarHBondContact O-ND2 2.83Å; E257-N260 PolarHBondContact O-N 3.23Å; A258-N260 PolarHBondContact O-N 3.37Å; N260-G264 PolarHBondContact O-N 2.74Å
261Y83.5Confident85.8Confident64 Ų6488 Ų8825%0.25144%0.44SS..Hα-helixtrans-59.7-49.4173.2-176-96000111.6L232 L235 E257 A258 K259 K263 G264 L265L232-Y261 HydrophobicContact CD1-CE2 4.29Å; L232-Y261 HydrophobicContact CD2-CD2 4.33Å; L232-Y261 HydrophobicContact CD2-CE1 4.25Å; L232-Y261 HydrophobicContact CD2-CE2 3.79Å; L235-Y261 HydrophobicContact CD2-CD1 4.2Å; L235-Y261 HydrophobicContact CD2-CE1 3.81Å; E257-Y261 WeakPolarHBondContact O-CB 3.36Å; E257-Y261 PolarHBondContact O-N 2.74Å; A258-Y261 PolarHBondContact O-N 3.19Å; K259-Y261 VanDerWaalsContact C-N 3.33Å; Y261-K263 VanDerWaalsContact C-N 3.35Å; Y261-K263 PolarHBondContact O-N 2.91Å; Y261-G264 PolarHBondContact O-N 2.97Å; Y261-G264 VanDerWaalsContact O-N 3.09Å; Y261-L265 HydrophobicContact CD1-CD1 4.18Å; Y261-L265 HydrophobicContact CE1-CD1 3.85Å; Y261-L265 HydrophobicContact CE1-CD2 4.09Å; Y261-L265 HydrophobicContact CE1-CG 4.2Å
262M83Confident86.1Confident15 Ų1585.4 Ų85.47%0.07443%0.431CS..Hα-helixtrans-63.7-38.2-178.3-65.9-58.4-78.100112.9W200 L235 M239 P245 V250 L253 A258 K259 G264 L265W200-M262 HydrophobicContact CH2-CE 3.98Å; W200-M262 HydrophobicContact CH2-SD 4.25Å; W200-M262 HydrophobicContact CZ3-CE 3.98Å; W200-M262 HydrophobicContact CZ3-CG 3.73Å; W200-M262 HydrophobicContact CZ3-SD 3.75Å; L235-M262 HydrophobicContact CD2-SD 3.84Å; M239-M262 HydrophobicContact SD-CE 3.69Å; M239-M262 HydrophobicContact SD-SD 4.19Å; P245-M262 HydrophobicContact CG-CE 3.19Å; V250-M262 HydrophobicContact CG1-CB 4.13Å; V250-M262 HydrophobicContact CG2-CB 4.22Å; L253-M262 HydrophobicContact CD1-CG 4.15Å; A258-M262 VanDerWaalsContact O-CG 3.26Å; A258-M262 WeakPolarHBondContact O-CG 3.43Å; A258-M262 PolarHBondContact O-N 3Å; K259-M262 PolarHBondContact O-N 3.32Å; M262-G264 PolarHBondContact O-N 3.32Å; M262-L265 PolarHBondContact O-N 3.47Å; M262-L265 HydrophobicContact SD-CD1 3.84Å
263K84.4Confident86.5Confident154 Ų15481.7 Ų81.767%0.6742%0.417SS*.Hα-helixtrans-65.8-24.9175.1-73.1174.9-179.4177.50113.6V250 K259 Y261V250-K263 HydrophobicContact CG1-CG 4.41Å; K259-K263 WeakPolarHBondContact O-CG 3.27Å; K259-K263 PolarHBondContact O-N 2.66Å; Y261-K263 VanDerWaalsContact C-N 3.35Å; Y261-K263 PolarHBondContact O-N 2.91Å
264G84.9Confident87Confident66 Ų6683.9 Ų83.968%0.6844%0.435SS*.THydrogen-bonded Turntrans-85.9-4.7-179.800000114.5N260 Y261 M262N260-G264 PolarHBondContact O-N 2.74Å; Y261-G264 PolarHBondContact O-N 2.97Å; Y261-G264 VanDerWaalsContact O-N 3.09Å; M262-G264 PolarHBondContact O-N 3.32Å
265L84.5Confident87.4Confident37 Ų3780.5 Ų80.519%0.19443%0.427CS..SBendtrans-84.1144-179-68.4169.5000111.5M239 Y261 M262M239-L265 HydrophobicContact CE-CD1 3.25Å; M239-L265 HydrophobicContact CE-CG 4.49Å; M239-L265 HydrophobicContact SD-CD1 3.64Å; Y261-L265 HydrophobicContact CD1-CD1 4.18Å; Y261-L265 HydrophobicContact CE1-CD1 3.85Å; Y261-L265 HydrophobicContact CE1-CD2 4.09Å; Y261-L265 HydrophobicContact CE1-CG 4.2Å; M262-L265 PolarHBondContact O-N 3.47Å; M262-L265 HydrophobicContact SD-CD1 3.84Å
266P88.6Confident87.9Confident100 Ų10081.6 Ų81.665%0.64943%0.43SS*.PPolyproline II helixtrans-59.4139.7167.1-19.231.6000110.5T244 L268T244-P266 WeakPolarHBondContact CG2-O 3.36Å; P266-L268 PolarHBondContact O-N 3.48Å
267E90.7Very high88.2Confident170 Ų17077.2 Ų77.279%0.79441%0.407SS*.PPolyproline II helixtrans-64.9132.6176.5-165.6154.4-148.900110.3
268L93.3Very high88.1Confident70 Ų7075.5 Ų75.537%0.36641%0.407SS..  trans-126.4129.7-179.3-65.9174.9000109.5M239 G243 T244 P266M239-L268 HydrophobicContact CB-CD1 4.21Å; G243-L268 CarbonylContact C-O 3.59Å; G243-L268 WeakPolarHBondContact CA-O 3.29Å; T244-L268 HydrophobicContact CG2-CB 4.18Å; T244-L268 HydrophobicContact CG2-CG 4.41Å; T244-L268 PolarHBondContact N-O 3.32Å; T244-L268 PolarHBondContact OG1-N 2.94Å; T244-L268 PolarHBondContact OG1-O 2.67Å; P266-L268 PolarHBondContact O-N 3.48Å
269E93.4Very high88.3Confident161 Ų16181 Ų8175%0.75244%0.435SS*.PPolyproline II helixtrans-74.1144172.6-70.7-64.2157.200111.3K271E269-K271 PolarHBondContact O-N 3.45Å
270K94.2Very high88.7Confident104 Ų10480 Ų8045%0.45243%0.434SS..PPolyproline II helixtrans-61.7129.1171.8175.3175.5175-73.70108.9E289K270-E289 IonicContact NZ-OE1 2.65Å; K270-E289 PolarHBondContact NZ-OE1 3.1Å
271K93.7Very high89.2Confident101 Ų10176.6 Ų76.644%0.43942%0.419SS..PPolyproline II helixtrans-75.3150.7173.8-71.1-174.1178.7165.10110.9K240 V241 E269 F273 I276K240-K271 WeakPolarHBondContact O-CD 3.3Å; K240-K271 WeakPolarHBondContact O-CE 3.3Å; K240-K271 PolarHBondContact O-NZ 3.3Å; V241-K271 PolarHBondContact O-N 2.92Å; E269-K271 PolarHBondContact O-N 3.45Å; K271-F273 PolarHBondContact O-N 3.17Å; K271-I276 HydrophobicContact CB-CD1 3.81Å; K271-I276 HydrophobicContact CD-CD1 4.08Å
272D93.3Very high89.8Confident94 Ų9478.9 Ų78.950%0.50344%0.442SS..PPolyproline II helixtrans-67.3119.9166172.423.7000109.6A274 S275D272-A274 VanDerWaalsContact C-N 3.26Å; D272-A274 PolarHBondContact O-N 2.58Å; D272-A274 PolarHBondContact OD1-N 2.96Å; D272-S275 WeakPolarHBondContact O-CB 3.47Å; D272-S275 PolarHBondContact O-N 2.77Å; D272-S275 PolarHBondContact O-OG 3.47Å
273F92.1Very high90.5Very high5 Ų582 Ų822%0.02246%0.458CS..Hα-helixtrans-65.8-30.3-178.6-90.2-134.3000112V241 K271 S275 I276 L277 V285 L288 E289 L292V241-F273 HydrophobicContact CG1-CD2 4.32Å; V241-F273 HydrophobicContact CG1-CE2 3.62Å; V241-F273 HydrophobicContact CG1-CZ 3.9Å; K271-F273 PolarHBondContact O-N 3.17Å; F273-S275 PolarHBondContact O-N 3.15Å; F273-I276 PolarHBondContact O-N 3.46Å; F273-I276 VanDerWaalsContact O-N 3.09Å; F273-L277 HydrophobicContact CB-CD1 4.1Å; F273-L277 HydrophobicContact CD1-CD1 4.05Å; F273-L277 VanDerWaalsContact O-CB 3.31Å; F273-L277 WeakPolarHBondContact O-CB 3.19Å; F273-L277 WeakPolarHBondContact O-CG 3.28Å; F273-L277 PolarHBondContact O-N 3.09Å; F273-V285 HydrophobicContact CB-CG1 3.82Å; F273-L288 HydrophobicContact CD1-CB 4.06Å; F273-L288 HydrophobicContact CE1-CB 4.26Å; F273-E289 HydrophobicContact CB-CG 3.86Å; F273-E289 HydrophobicContact CD1-CG 3.85Å; F273-E289 HydrophobicContact CD2-CG 4.23Å; F273-E289 HydrophobicContact CE1-CG 4.43Å; F273-E289 HydrophobicContact CG-CG 3.73Å; F273-L292 HydrophobicContact CE1-CB 3.94Å; F273-L292 HydrophobicContact CE1-CD1 3.76Å; F273-L292 HydrophobicContact CE1-CG 4.42Å; F273-L292 HydrophobicContact CZ-CB 3.91Å; F273-L292 HydrophobicContact CZ-CD1 4.27Å
274A91.8Very high91.2Very high48 Ų4874.6 Ų74.640%0.39743%0.426SS..Hα-helixtrans-62.7-34.9176.100000111.7D272 I276 L277 V285D272-A274 VanDerWaalsContact C-N 3.26Å; D272-A274 PolarHBondContact O-N 2.58Å; D272-A274 PolarHBondContact OD1-N 2.96Å; A274-I276 VanDerWaalsContact C-N 3.29Å; A274-I276 PolarHBondContact O-N 3.07Å; A274-L277 CarbonylContact O-C 3.53Å; A274-V285 HydrophobicContact CB-CG1 4.38Å
275S90.3Very high91.8Very high73 Ų7372.1 Ų72.151%0.5140%0.398SS..Hα-helixtrans-68-26.3175.378.70000113.9D272 F273D272-S275 WeakPolarHBondContact O-CB 3.47Å; D272-S275 PolarHBondContact O-N 2.77Å; D272-S275 PolarHBondContact O-OG 3.47Å; F273-S275 PolarHBondContact O-N 3.15Å
276I89.3Confident92.5Very high50 Ų5073.5 Ų73.526%0.25641%0.405SS..Hα-helixtrans-86.8-40.2178.3-60.5173.2000110.3L225 V241 K271 F273 A274 T278L225-I276 HydrophobicContact CD1-CG2 4.38Å; V241-I276 HydrophobicContact CB-CD1 4.19Å; V241-I276 HydrophobicContact CG1-CD1 3.54Å; V241-I276 HydrophobicContact CG2-CD1 3.92Å; K271-I276 HydrophobicContact CB-CD1 3.81Å; K271-I276 HydrophobicContact CD-CD1 4.08Å; F273-I276 PolarHBondContact O-N 3.46Å; F273-I276 VanDerWaalsContact O-N 3.09Å; A274-I276 VanDerWaalsContact C-N 3.29Å; A274-I276 PolarHBondContact O-N 3.07Å; I276-T278 PolarHBondContact O-N 2.96Å
277L88.5Confident92.9Very high5 Ų568.7 Ų68.73%0.02637%0.374CS..  trans-99.661-173.9-57.4165.4000110.1A217 T221 F273 A274 N279 A280 V285 L288A217-L277 HydrophobicContact CB-CD2 4.07Å; T221-L277 HydrophobicContact CG2-CD2 3.9Å; F273-L277 HydrophobicContact CB-CD1 4.1Å; F273-L277 HydrophobicContact CD1-CD1 4.05Å; F273-L277 VanDerWaalsContact O-CB 3.31Å; F273-L277 WeakPolarHBondContact O-CB 3.19Å; F273-L277 WeakPolarHBondContact O-CG 3.28Å; F273-L277 PolarHBondContact O-N 3.09Å; A274-L277 CarbonylContact O-C 3.53Å; L277-N279 PolarHBondContact O-N 2.9Å; L277-A280 HydrophobicContact CB-CB 3.77Å; L277-A280 WeakPolarHBondContact O-CB 3.44Å; L277-A280 PolarHBondContact O-N 3.04Å; L277-V285 HydrophobicContact CB-CG2 4.38Å; L277-V285 HydrophobicContact CD1-CG2 4.17Å; L277-L288 HydrophobicContact CD1-CB 4.3Å; L277-L288 HydrophobicContact CD1-CD1 3.39Å; L277-L288 HydrophobicContact CD1-CG 4.47Å; L277-L288 HydrophobicContact CD2-CD1 4.03Å; L277-L288 HydrophobicContact CG-CD1 4.36Å
278T79.6Confident93.3Very high108 Ų10860.6 Ų60.666%0.66334%0.336SS*.THydrogen-bonded Turntrans-58.3-15.6-167.262.20000115.7I276I276-T278 PolarHBondContact O-N 2.96Å
279N84.5Confident93.5Very high126 Ų12660 Ų6067%0.67433%0.332SS*.THydrogen-bonded Turntrans-119.612.4-176.9-54.2-11.4000112.7L277L277-N279 PolarHBondContact O-N 2.9Å
280A92.9Very high93.7Very high21 Ų2156.5 Ų56.517%0.17431%0.314CS..  trans-87.6146.3179.800000111.8I220 L277 A284 V285I220-A280 HydrophobicContact CD1-CB 4.21Å; I220-A280 HydrophobicContact CG2-CB 3.99Å; L277-A280 HydrophobicContact CB-CB 3.77Å; L277-A280 WeakPolarHBondContact O-CB 3.44Å; L277-A280 PolarHBondContact O-N 3.04Å; A280-A284 HydrophobicContact CB-CB 4.17Å; A280-V285 HydrophobicContact CB-CG2 3.72Å
281S96.1Very high93.9Very high36 Ų3651.5 Ų51.525%0.25229%0.292SS..  trans-64.9153.4166.366.90000111.2E127 L283 A284 V285E127-S281 VanDerWaalsContact OE1-CB 3.31Å; E127-S281 WeakPolarHBondContact OE1-CB 3.43Å; E127-S281 PolarHBondContact OE1-OG 3.37Å; S281-L283 PolarHBondContact O-N 3.38Å; S281-L283 VanDerWaalsContact O-N 3.15Å; S281-A284 WeakPolarHBondContact O-CB 3.15Å; S281-A284 PolarHBondContact O-N 3.33Å; S281-A284 WeakPolarHBondContact OG-CB 3.21Å; S281-A284 PolarHBondContact OG-N 2.94Å; S281-A284 VanDerWaalsContact OG-N 3.16Å; S281-V285 WeakPolarHBondContact O-CG2 3.07Å; S281-V285 PolarHBondContact O-N 3.18Å
282P97.3Very high94.1Very high112 Ų11247 Ų4773%0.72727%0.273SS*.Hα-helixtrans-55.8-32.2175.6-27.235.5000113.4N286P282-N286 WeakPolarHBondContact O-CB 3.46Å; P282-N286 PolarHBondContact O-N 2.87Å
283L98.1Very high94.1Very high80 Ų8044.6 Ų44.642%0.41926%0.261SS..Hα-helixtrans-70.8-40.2176.2-65.4-179.4000112.2S281 N286 L287 H308 P309 Y310S281-L283 PolarHBondContact O-N 3.38Å; S281-L283 VanDerWaalsContact O-N 3.15Å; L283-N286 PolarHBondContact O-N 3.09Å; L283-L287 WeakPolarHBondContact O-CB 3.47Å; L283-L287 PolarHBondContact O-N 3.49Å; L283-H308 PolarHBondContact O-CE1 3.37Å; L283-P309 HydrophobicContact CD2-CB 4.23Å; L283-Y310 HydrophobicContact CB-CD2 3.86Å
284A97.9Very high94.1Very high0 Ų045.3 Ų45.30%027%0.265CS..Hα-helixtrans-63.3-42.3173.600000111.6M216 I220 A280 S281 L287 L288 Y310M216-A284 HydrophobicContact CE-CB 3.65Å; I220-A284 HydrophobicContact CD1-CB 4.23Å; A280-A284 HydrophobicContact CB-CB 4.17Å; S281-A284 WeakPolarHBondContact O-CB 3.15Å; S281-A284 PolarHBondContact O-N 3.33Å; S281-A284 WeakPolarHBondContact OG-CB 3.21Å; S281-A284 PolarHBondContact OG-N 2.94Å; S281-A284 VanDerWaalsContact OG-N 3.16Å; A284-L287 PolarHBondContact O-N 2.94Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.35Å; A284-L288 PolarHBondContact O-N 3.25Å; A284-Y310 HydrophobicContact CB-CD2 4.17Å; A284-Y310 HydrophobicContact CB-CE2 3.7Å
285V98Very high93.9Very high13 Ų1344 Ų448%0.07925%0.252CS..Hα-helixtrans-59.3-50.4174.3175.10000110.5F273 A274 L277 A280 S281 L287 L288 E289F273-V285 HydrophobicContact CB-CG1 3.82Å; A274-V285 HydrophobicContact CB-CG1 4.38Å; L277-V285 HydrophobicContact CB-CG2 4.38Å; L277-V285 HydrophobicContact CD1-CG2 4.17Å; A280-V285 HydrophobicContact CB-CG2 3.72Å; S281-V285 WeakPolarHBondContact O-CG2 3.07Å; S281-V285 PolarHBondContact O-N 3.18Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.3Å; V285-L288 PolarHBondContact O-N 3.45Å; V285-L288 VanDerWaalsContact O-N 3.15Å; V285-E289 HydrophobicContact CG1-CG 4.49Å; V285-E289 WeakPolarHBondContact O-CG 3.45Å; V285-E289 PolarHBondContact O-N 2.81Å
286N98.1Very high93.9Very high66 Ų6641.1 Ų41.135%0.35323%0.232SC..Hα-helixtrans-61.4-39.5-179.2-169.5-107.5000112.8P282 L283 E289 K290 H308P282-N286 WeakPolarHBondContact O-CB 3.46Å; P282-N286 PolarHBondContact O-N 2.87Å; L283-N286 PolarHBondContact O-N 3.09Å; N286-E289 PolarHBondContact O-N 3.44Å; N286-K290 WeakPolarHBondContact O-CG 3.42Å; N286-K290 PolarHBondContact O-N 3.37Å; N286-K290 WeakPolarHBondContact OD1-CE 3.36Å; N286-H308 PolarHBondContact OD1-NE2 2.98Å; N286-H308 VanDerWaalsContact OD1-NE2 3.09Å
287L98.6Very high93.9Very high0 Ų044.7 Ų44.70%025%0.248CC..Hα-helixtrans-63.2-44.6175-176.459.8000111.4M216 L283 A284 V285 E289 K290 M291 A305 H308 Y310 F311M216-L287 HydrophobicContact CE-CD2 4.16Å; M216-L287 HydrophobicContact SD-CD2 4.01Å; L283-L287 WeakPolarHBondContact O-CB 3.47Å; L283-L287 PolarHBondContact O-N 3.49Å; A284-L287 PolarHBondContact O-N 2.94Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.3Å; L287-E289 VanDerWaalsContact C-N 3.35Å; L287-E289 PolarHBondContact O-N 2.91Å; L287-K290 WeakPolarHBondContact O-CB 2.71Å; L287-K290 PolarHBondContact O-N 3.19Å; L287-K290 VanDerWaalsContact O-N 3.14Å; L287-M291 HydrophobicContact CD1-CE 3.82Å; L287-M291 HydrophobicContact CD2-CE 3.97Å; L287-M291 HydrophobicContact CG-CE 3.79Å; L287-M291 HydrophobicContact CG-SD 4.27Å; L287-M291 WeakPolarHBondContact O-CG 3.27Å; L287-M291 PolarHBondContact O-N 2.99Å; L287-A305 HydrophobicContact CD1-CB 4.29Å; L287-H308 HydrophobicContact CD1-CB 3.96Å; L287-Y310 HydrophobicContact CD2-CD1 3.58Å; L287-Y310 HydrophobicContact CD2-CE1 4.34Å; L287-Y310 HydrophobicContact CD2-CG 4.15Å; L287-F311 HydrophobicContact CD2-CE2 3.51Å; L287-F311 HydrophobicContact CD2-CZ 3.56Å
288L98.2Very high94.1Very high0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-63.8-38.3178.4-79.6168.1000112.6G213 M216 A217 I220 F273 L277 A284 V285 K290 M291 L292G213-L288 WeakPolarHBondContact O-CD2 3.37Å; M216-L288 HydrophobicContact CB-CD2 4.02Å; M216-L288 HydrophobicContact CE-CD1 4.5Å; M216-L288 HydrophobicContact CE-CG 4.37Å; M216-L288 HydrophobicContact CG-CD1 4.33Å; M216-L288 HydrophobicContact CG-CD2 4.05Å; M216-L288 HydrophobicContact CG-CG 4.29Å; M216-L288 HydrophobicContact SD-CD2 4.09Å; M216-L288 HydrophobicContact SD-CG 4.01Å; A217-L288 HydrophobicContact CB-CD1 4.33Å; A217-L288 HydrophobicContact CB-CD2 4.24Å; I220-L288 HydrophobicContact CD1-CD1 3.86Å; F273-L288 HydrophobicContact CD1-CB 4.06Å; F273-L288 HydrophobicContact CE1-CB 4.26Å; L277-L288 HydrophobicContact CD1-CB 4.3Å; L277-L288 HydrophobicContact CD1-CD1 3.39Å; L277-L288 HydrophobicContact CD1-CG 4.47Å; L277-L288 HydrophobicContact CD2-CD1 4.03Å; L277-L288 HydrophobicContact CG-CD1 4.36Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.35Å; A284-L288 PolarHBondContact O-N 3.25Å; V285-L288 PolarHBondContact O-N 3.45Å; V285-L288 VanDerWaalsContact O-N 3.15Å; L288-K290 PolarHBondContact O-N 2.63Å; L288-M291 PolarHBondContact O-N 2.96Å; L288-L292 HydrophobicContact CD2-CD1 4.11Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 PolarHBondContact O-N 2.83Å
289E97.4Very high94.9Very high58 Ų5846 Ų4627%0.27125%0.246SC..Hα-helixtrans-63.3-30.9174.3-71.2-168.2123.400112.9K270 F273 V285 N286 L287 V293K270-E289 IonicContact NZ-OE1 2.65Å; K270-E289 PolarHBondContact NZ-OE1 3.1Å; F273-E289 HydrophobicContact CB-CG 3.86Å; F273-E289 HydrophobicContact CD1-CG 3.85Å; F273-E289 HydrophobicContact CD2-CG 4.23Å; F273-E289 HydrophobicContact CE1-CG 4.43Å; F273-E289 HydrophobicContact CG-CG 3.73Å; V285-E289 HydrophobicContact CG1-CG 4.49Å; V285-E289 WeakPolarHBondContact O-CG 3.45Å; V285-E289 PolarHBondContact O-N 2.81Å; N286-E289 PolarHBondContact O-N 3.44Å; L287-E289 VanDerWaalsContact C-N 3.35Å; L287-E289 PolarHBondContact O-N 2.91Å; E289-V293 WeakPolarHBondContact O-CG2 3.48Å
290K98.1Very high95.5Very high86 Ų8641.1 Ų41.137%0.37422%0.221SC..Hα-helixtrans-78.2-28.2175.6-73.6171.5-179.5-71.20113.2N286 L287 L288 V300N286-K290 WeakPolarHBondContact O-CG 3.42Å; N286-K290 PolarHBondContact O-N 3.37Å; N286-K290 WeakPolarHBondContact OD1-CE 3.36Å; L287-K290 WeakPolarHBondContact O-CB 2.71Å; L287-K290 PolarHBondContact O-N 3.19Å; L287-K290 VanDerWaalsContact O-N 3.14Å; L288-K290 PolarHBondContact O-N 2.63Å; K290-V300 HydrophobicContact CB-CG1 3.75Å; K290-V300 HydrophobicContact CB-CG2 4.03Å; K290-V300 HydrophobicContact CD-CG1 4.24Å; K290-V300 HydrophobicContact CG-CG1 4.25Å; K290-V300 PolarHBondContact O-N 2.74Å
291M98.4Very high95.7Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-84.3-40.4178.3-68.9-178.3170.900112.8L138 I209 V212 L287 L288 V293 R299 V300 A305L138-M291 HydrophobicContact CD1-CE 3.89Å; L138-M291 HydrophobicContact CD2-CE 3.96Å; L138-M291 HydrophobicContact CG-CE 4.41Å; I209-M291 HydrophobicContact CG2-CB 3.93Å; I209-M291 HydrophobicContact CG2-CG 3.69Å; V212-M291 HydrophobicContact CB-SD 4.39Å; V212-M291 HydrophobicContact CG1-CE 3.91Å; V212-M291 HydrophobicContact CG1-SD 3.95Å; L287-M291 HydrophobicContact CD1-CE 3.82Å; L287-M291 HydrophobicContact CD2-CE 3.97Å; L287-M291 HydrophobicContact CG-CE 3.79Å; L287-M291 HydrophobicContact CG-SD 4.27Å; L287-M291 WeakPolarHBondContact O-CG 3.27Å; L287-M291 PolarHBondContact O-N 2.99Å; L288-M291 PolarHBondContact O-N 2.96Å; M291-V293 VanDerWaalsContact C-N 3.32Å; M291-V293 PolarHBondContact O-N 3.47Å; M291-R299 WeakPolarHBondContact O-CD 3.28Å; M291-V300 HydrophobicContact CG-CG2 4.13Å; M291-A305 HydrophobicContact CE-CB 4Å
292L97.4Very high95.8Very high6 Ų640.3 Ų40.33%0.03121%0.212CC..SBendtrans-96.549.6-171.6-64.6175.2000112.2W210 L225 F226 F273 L288W210-L292 HydrophobicContact CD2-CD2 3.88Å; W210-L292 HydrophobicContact CE3-CD2 4Å; W210-L292 HydrophobicContact CG-CD2 4.33Å; W210-L292 HydrophobicContact CH2-CD2 4.43Å; W210-L292 HydrophobicContact CZ2-CD2 4.32Å; W210-L292 HydrophobicContact CZ3-CB 4.38Å; W210-L292 HydrophobicContact CZ3-CD2 4.28Å; L225-L292 HydrophobicContact CD2-CD1 3.48Å; L225-L292 VanDerWaalsContact CD2-CD1 3.48Å; F226-L292 HydrophobicContact CE2-CD2 4.24Å; F273-L292 HydrophobicContact CE1-CB 3.94Å; F273-L292 HydrophobicContact CE1-CD1 3.76Å; F273-L292 HydrophobicContact CE1-CG 4.42Å; F273-L292 HydrophobicContact CZ-CB 3.91Å; F273-L292 HydrophobicContact CZ-CD1 4.27Å; L288-L292 HydrophobicContact CD2-CD1 4.11Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 PolarHBondContact O-N 2.83Å
293V94.4Very high95.6Very high43 Ų4337.3 Ų37.326%0.26120%0.197SC..  trans-94.2134.9175.1-175.20000109.3E289 M291 D295 Q298 R299E289-V293 WeakPolarHBondContact O-CG2 3.48Å; M291-V293 VanDerWaalsContact C-N 3.32Å; M291-V293 PolarHBondContact O-N 3.47Å; V293-D295 HydrophobicContact CG1-CB 4.46Å; V293-D295 PolarHBondContact O-N 2.84Å; V293-Q298 HydrophobicContact CG1-CB 3.94Å; V293-R299 HydrophobicContact CB-CG 3.88Å; V293-R299 PolarHBondContact O-NE 2.9Å; V293-R299 PolarHBondContact O-NH2 2.91Å
294L90.4Very high95.6Very high20 Ų2038.8 Ų38.811%0.10520%0.202CC..SBendtrans-61.8-44.4179.7-73.7176.5000112P194 W210 I238 G243 P245 A296 R299P194-L294 HydrophobicContact CB-CD2 4.44Å; P194-L294 HydrophobicContact CG-CD2 3.97Å; W210-L294 HydrophobicContact CH2-CD2 4.33Å; I238-L294 HydrophobicContact CG2-CD2 3.8Å; G243-L294 WeakPolarHBondContact O-CD1 3.43Å; P245-L294 HydrophobicContact CB-CD1 3.95Å; P245-L294 HydrophobicContact CG-CD1 4.33Å; L294-A296 PolarHBondContact O-N 2.9Å; L294-R299 PolarHBondContact O-NH2 3.29Å
295D89.1Confident95.5Very high21 Ų2138.9 Ų38.911%0.11220%0.203CC..SBendtrans-72.7111.6177.4-167.3-2.1000111.3F249 R252 V293 E297 Q298 R299F249-D295 HydrophobicContact CD2-CB 3.99Å; F249-D295 HydrophobicContact CE2-CB 4.09Å; R252-D295 IonicContact CZ-OD1 3.07Å; R252-D295 IonicContact CZ-OD2 2.71Å; R252-D295 IonicContact NH1-OD1 3.27Å; R252-D295 PolarHBondContact NH1-OD1 3.31Å; R252-D295 VanDerWaalsContact NH1-OD1 3.12Å; R252-D295 IonicContact NH1-OD2 3.61Å; R252-D295 PolarHBondContact NH1-OD2 2.85Å; R252-D295 IonicContact NH2-OD1 3Å; R252-D295 IonicContact NH2-OD2 3.52Å; R252-D295 PolarHBondContact NH2-OD2 2.95Å; V293-D295 HydrophobicContact CG1-CB 4.46Å; V293-D295 PolarHBondContact O-N 2.84Å; D295-E297 PolarHBondContact O-N 2.86Å; D295-E297 PolarHBondContact OD1-N 2.78Å; D295-Q298 HydrophobicContact CB-CB 4.15Å; D295-Q298 HydrophobicContact CB-CG 3.91Å; D295-Q298 PolarHBondContact O-N 2.99Å; D295-R299 PolarHBondContact O-N 3.22Å
296A90Very high95.4Very high12 Ų1238.7 Ų38.710%0.09920%0.201CC..THydrogen-bonded Turntrans-61.8-28-176.400000113.3T206 L294 Q298T206-A296 PolarHBondContact OG1-O 2.85Å; L294-A296 PolarHBondContact O-N 2.9Å; A296-Q298 VanDerWaalsContact C-N 3.3Å
297E88.9Confident95.3Very high126 Ų12638.8 Ų38.859%0.58921%0.211SC*.THydrogen-bonded Turntrans-75.3-20177.5-60.8-60.1138.500112.7T204 D295T204-E297 WeakPolarHBondContact CG2-OE1 3.41Å; D295-E297 PolarHBondContact O-N 2.86Å; D295-E297 PolarHBondContact OD1-N 2.78Å
298Q92.7Very high95.3Very high134 Ų13439.5 Ų39.563%0.62621%0.214SC*.SBendtrans-97.4-5.6179-60.4-67.4-3.700112.7V293 D295 A296V293-Q298 HydrophobicContact CG1-CB 3.94Å; D295-Q298 HydrophobicContact CB-CB 4.15Å; D295-Q298 HydrophobicContact CB-CG 3.91Å; D295-Q298 PolarHBondContact O-N 2.99Å; A296-Q298 VanDerWaalsContact C-N 3.3Å
299R95.9Very high95.3Very high7 Ų742.9 Ų42.93%0.02624%0.236CC..SBendtrans-73.6140174.8-69.8179.1-147.9145.810.1109.7E195 T206 M291 V293 L294 D295E195-R299 VanDerWaalsContact CD-NH2 3.26Å; E195-R299 IonicContact OE1-CZ 3.07Å; E195-R299 VanDerWaalsContact OE1-CZ 3.28Å; E195-R299 IonicContact OE1-NH1 3.32Å; E195-R299 PolarHBondContact OE1-NH1 3.12Å; E195-R299 IonicContact OE1-NH2 3.82Å; E195-R299 PolarHBondContact OE1-NH2 3.46Å; E195-R299 VanDerWaalsContact OE1-NH2 3.08Å; E195-R299 IonicContact OE2-CZ 2.58Å; E195-R299 IonicContact OE2-NH1 2.67Å; E195-R299 IonicContact OE2-NH2 2.93Å; E195-R299 PolarHBondContact OE2-NH2 2.79Å; T206-R299 HydrophobicContact CG2-CB 4.29Å; T206-R299 PolarHBondContact O-NH1 3.46Å; M291-R299 WeakPolarHBondContact O-CD 3.28Å; V293-R299 HydrophobicContact CB-CG 3.88Å; V293-R299 PolarHBondContact O-NE 2.9Å; V293-R299 PolarHBondContact O-NH2 2.91Å; L294-R299 PolarHBondContact O-NH2 3.29Å; D295-R299 PolarHBondContact O-N 3.22Å
300V98.1Very high95.3Very high22 Ų2240.4 Ų40.413%0.13322%0.224CC..PPolyproline II helixtrans-58.9145170.1-67.60000111I209 K290 M291 E304 A305I209-V300 WeakPolarHBondContact CG1-O 3.31Å; I209-V300 HydrophobicContact CG2-CG2 4.26Å; I209-V300 WeakPolarHBondContact CG2-O 3.26Å; K290-V300 HydrophobicContact CB-CG1 3.75Å; K290-V300 HydrophobicContact CB-CG2 4.03Å; K290-V300 HydrophobicContact CD-CG1 4.24Å; K290-V300 HydrophobicContact CG-CG1 4.25Å; K290-V300 PolarHBondContact O-N 2.74Å; M291-V300 HydrophobicContact CG-CG2 4.13Å; V300-E304 HydrophobicContact CB-CB 4.19Å; V300-E304 HydrophobicContact CG1-CB 4.47Å; V300-A305 HydrophobicContact CG2-CB 4.02Å
301T97.6Very high95.3Very high38 Ų3836.3 Ų36.323%0.23321%0.207CC..PPolyproline II helixtrans-77.6168.4169.262.30000111.2A303 E304 A305T301-A303 VanDerWaalsContact C-N 3.25Å; T301-A303 PolarHBondContact O-N 3.18Å; T301-E304 WeakPolarHBondContact CB-OE2 3.45Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.37Å; T301-E304 PolarHBondContact N-OE2 3.42Å; T301-E304 PolarHBondContact O-N 2.76Å; T301-E304 VanDerWaalsContact OG1-CD 3.27Å; T301-E304 VanDerWaalsContact OG1-CG 3.31Å; T301-E304 WeakPolarHBondContact OG1-CG 3.38Å; T301-E304 PolarHBondContact OG1-N 3.01Å; T301-E304 PolarHBondContact OG1-OE2 2.95Å; T301-A305 VanDerWaalsContact O-CB 3.27Å; T301-A305 WeakPolarHBondContact O-CB 3.38Å; T301-A305 PolarHBondContact O-N 2.98Å
302A96.5Very high95.1Very high2 Ų242.5 Ų42.52%0.01724%0.236CC..Hα-helixtrans-58.9-38.3174.300000112.1L141 R142 I209 L306L141-A302 HydrophobicContact CB-CB 4.26Å; R142-A302 HydrophobicContact CB-CB 3.87Å; I209-A302 HydrophobicContact CD1-CB 3.99Å; A302-L306 WeakPolarHBondContact O-CB 3.48Å; A302-L306 VanDerWaalsContact O-CG 3.26Å; A302-L306 WeakPolarHBondContact O-CG 3.09Å; A302-L306 PolarHBondContact O-N 3.47Å
303A94.4Very high94.9Very high50 Ų5046.4 Ų46.441%0.41326%0.264SS..Hα-helixtrans-67.1-45.4178.600000112.2R142 T301 L306 A307R142-A303 HydrophobicContact CG-CB 4.47Å; T301-A303 VanDerWaalsContact C-N 3.25Å; T301-A303 PolarHBondContact O-N 3.18Å; A303-L306 PolarHBondContact O-N 2.77Å; A303-A307 PolarHBondContact O-N 3.16Å
304E96.6Very high94.7Very high111 Ų11146.6 Ų46.652%0.51926%0.263SS..Hα-helixtrans-66.9-38.7176.8-68.9161150.100112V300 T301 A307 H308V300-E304 HydrophobicContact CB-CB 4.19Å; V300-E304 HydrophobicContact CG1-CB 4.47Å; T301-E304 WeakPolarHBondContact CB-OE2 3.45Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.37Å; T301-E304 PolarHBondContact N-OE2 3.42Å; T301-E304 PolarHBondContact O-N 2.76Å; T301-E304 VanDerWaalsContact OG1-CD 3.27Å; T301-E304 VanDerWaalsContact OG1-CG 3.31Å; T301-E304 WeakPolarHBondContact OG1-CG 3.38Å; T301-E304 PolarHBondContact OG1-N 3.01Å; T301-E304 PolarHBondContact OG1-OE2 2.95Å; E304-A307 PolarHBondContact O-N 3.3Å; E304-H308 PolarHBondContact O-N 3.47Å
305A97.8Very high94.4Very high2 Ų249.2 Ų49.22%0.01727%0.274CS..Hα-helixtrans-64.9-39175.900000111.8L138 L287 M291 V300 T301 A307 H308 F311L138-A305 HydrophobicContact CD1-CB 3.79Å; L138-A305 HydrophobicContact CD2-CB 3.99Å; L287-A305 HydrophobicContact CD1-CB 4.29Å; M291-A305 HydrophobicContact CE-CB 4Å; V300-A305 HydrophobicContact CG2-CB 4.02Å; T301-A305 VanDerWaalsContact O-CB 3.27Å; T301-A305 WeakPolarHBondContact O-CB 3.38Å; T301-A305 PolarHBondContact O-N 2.98Å; A305-A307 VanDerWaalsContact C-N 3.29Å; A305-A307 PolarHBondContact O-N 2.95Å; A305-H308 WeakPolarHBondContact O-CB 3.03Å; A305-H308 PolarHBondContact O-N 3.1Å; A305-H308 VanDerWaalsContact O-N 3.13Å; A305-F311 VanDerWaalsContact O-CD2 3.26Å; A305-F311 WeakPolarHBondContact O-CD2 3.24Å; A305-F311 VanDerWaalsContact O-CE2 3.32Å; A305-F311 WeakPolarHBondContact O-CE2 3.43Å
306L95.7Very high93.5Very high9 Ų952.7 Ų52.75%0.04729%0.293CS..Hα-helixtrans-61.9-37.7174.4-77.9165.4000111.8Y135 L138 K139 R142 A302 A303 H308 H315Y135-L306 HydrophobicContact CD2-CD2 3.55Å; Y135-L306 HydrophobicContact CE2-CD2 3.55Å; Y135-L306 HydrophobicContact CG-CD2 4.38Å; L138-L306 HydrophobicContact CB-CD1 4.34Å; L138-L306 HydrophobicContact CB-CD2 3.66Å; L138-L306 HydrophobicContact CB-CG 3.75Å; K139-L306 HydrophobicContact CG-CD1 4.22Å; K139-L306 HydrophobicContact CG-CD2 3.83Å; R142-L306 HydrophobicContact CB-CD1 4.19Å; R142-L306 VanDerWaalsContact NH1-CD1 3.35Å; A302-L306 WeakPolarHBondContact O-CB 3.48Å; A302-L306 VanDerWaalsContact O-CG 3.26Å; A302-L306 WeakPolarHBondContact O-CG 3.09Å; A302-L306 PolarHBondContact O-N 3.47Å; A303-L306 PolarHBondContact O-N 2.77Å; L306-H308 PolarHBondContact O-N 3Å; L306-H315 PolarHBondContact O-NE2 2.81Å
307A95.5Very high92.1Very high68 Ų6862 Ų6256%0.56233%0.331SS*.THydrogen-bonded Turntrans-73.6-0.4176.900000114.1A303 E304 A305A303-A307 PolarHBondContact O-N 3.16Å; E304-A307 PolarHBondContact O-N 3.3Å; A305-A307 VanDerWaalsContact C-N 3.29Å; A305-A307 PolarHBondContact O-N 2.95Å
308H97.9Very high90.8Very high14 Ų1463.2 Ų63.27%0.06534%0.337CS..SBendtrans-69.4143.3-178.7-169.1-96.4000111.9L283 N286 L287 E304 A305 L306 Y310 F311L283-H308 PolarHBondContact O-CE1 3.37Å; N286-H308 PolarHBondContact OD1-NE2 2.98Å; N286-H308 VanDerWaalsContact OD1-NE2 3.09Å; L287-H308 HydrophobicContact CD1-CB 3.96Å; E304-H308 PolarHBondContact O-N 3.47Å; A305-H308 WeakPolarHBondContact O-CB 3.03Å; A305-H308 PolarHBondContact O-N 3.1Å; A305-H308 VanDerWaalsContact O-N 3.13Å; L306-H308 PolarHBondContact O-N 3Å; H308-Y310 WeakPolarHBondContact ND1-CB 3.5Å; H308-Y310 PolarHBondContact ND1-N 3.19Å; H308-Y310 VanDerWaalsContact ND1-N 3.12Å; H308-Y310 PolarHBondContact O-N 3.26Å; H308-F311 HydrophobicContact CB-CD2 4.43Å; H308-F311 PolarHBondContact O-N 3.48Å
309P97.8Very high89.2Confident71 Ų7164.7 Ų64.746%0.46135%0.349SS..G310 helixtrans-58.7-18.1179.4-26.434.8000114.8L283 F311 E312L283-P309 HydrophobicContact CD2-CB 4.23Å; P309-F311 PolarHBondContact O-N 2.65Å; P309-E312 WeakPolarHBondContact O-CB 3.41Å; P309-E312 PolarHBondContact O-N 2.93Å
310Y98.2Very high87.9Confident6 Ų669 Ų692%0.02437%0.37CS..G310 helixtrans-59.1-22.8171.9-175.7-113.5000112.7E127 Q131 M216 L283 A284 L287 H308E127-Y310 VanDerWaalsContact OE1-CE2 3.25Å; E127-Y310 WeakPolarHBondContact OE1-CE2 3.44Å; E127-Y310 PolarHBondContact OE1-OH 3.09Å; Q131-Y310 HydrophobicContact CB-CE1 4.04Å; Q131-Y310 HydrophobicContact CG-CD1 4.34Å; Q131-Y310 HydrophobicContact CG-CE1 3.98Å; Q131-Y310 WeakPolarHBondContact CG-O 3.39Å; Q131-Y310 PolarHBondContact NE2-O 3.49Å; M216-Y310 HydrophobicContact CE-CD1 4.13Å; M216-Y310 HydrophobicContact CE-CE1 3.54Å; M216-Y310 HydrophobicContact CE-CE2 4.46Å; L283-Y310 HydrophobicContact CB-CD2 3.86Å; A284-Y310 HydrophobicContact CB-CD2 4.17Å; A284-Y310 HydrophobicContact CB-CE2 3.7Å; L287-Y310 HydrophobicContact CD2-CD1 3.58Å; L287-Y310 HydrophobicContact CD2-CE1 4.34Å; L287-Y310 HydrophobicContact CD2-CG 4.15Å; H308-Y310 WeakPolarHBondContact ND1-CB 3.5Å; H308-Y310 PolarHBondContact ND1-N 3.19Å; H308-Y310 VanDerWaalsContact ND1-N 3.12Å; H308-Y310 PolarHBondContact O-N 3.26Å
311F97.1Very high86.8Confident0 Ų071.3 Ų71.30%039%0.385CS..G310 helixtrans-110.811.9-179.4-57.1-64.3000114Q131 V134 Y135 L138 L287 A305 H308 P309 S313 L314 H315Q131-F311 HydrophobicContact CG-CD1 3.88Å; Q131-F311 HydrophobicContact CG-CE1 4.28Å; Q131-F311 WeakPolarHBondContact O-CE1 3.43Å; V134-F311 HydrophobicContact CB-CE1 4.14Å; V134-F311 HydrophobicContact CB-CZ 4.12Å; V134-F311 HydrophobicContact CG1-CE1 4.21Å; V134-F311 HydrophobicContact CG1-CZ 3.67Å; Y135-F311 HydrophobicContact CD2-CB 3.81Å; Y135-F311 AromaticContact CD2-CD1 3.87Å; Y135-F311 HydrophobicContact CD2-CD1 3.87Å; Y135-F311 AromaticContact CD2-CG 3.82Å; Y135-F311 HydrophobicContact CD2-CG 3.82Å; Y135-F311 HydrophobicContact CE2-CB 4.27Å; Y135-F311 HydrophobicContact CG-CD1 4.25Å; L138-F311 HydrophobicContact CD1-CD2 4.48Å; L138-F311 HydrophobicContact CD1-CE2 3.47Å; L138-F311 VanDerWaalsContact CD1-CE2 3.47Å; L138-F311 HydrophobicContact CD1-CZ 3.63Å; L287-F311 HydrophobicContact CD2-CE2 3.51Å; L287-F311 HydrophobicContact CD2-CZ 3.56Å; A305-F311 VanDerWaalsContact O-CD2 3.26Å; A305-F311 WeakPolarHBondContact O-CD2 3.24Å; A305-F311 VanDerWaalsContact O-CE2 3.32Å; A305-F311 WeakPolarHBondContact O-CE2 3.43Å; H308-F311 HydrophobicContact CB-CD2 4.43Å; H308-F311 PolarHBondContact O-N 3.48Å; P309-F311 PolarHBondContact O-N 2.65Å; F311-S313 PolarHBondContact O-N 3.35Å; F311-S313 VanDerWaalsContact O-N 3.14Å; F311-L314 WeakPolarHBondContact O-CA 3.41Å; F311-L314 PolarHBondContact O-N 3.31Å; F311-H315 PolarHBondContact O-CD2 3.3Å; F311-H315 PolarHBondContact O-N 2.76Å
312E94.4Very high86Confident130 Ų13078.8 Ų78.861%0.60742%0.417SS*.G310 helixtrans-52.5-40.2-174.4-170.572.8-153.400112.8P309 L314 H315P309-E312 WeakPolarHBondContact O-CB 3.41Å; P309-E312 PolarHBondContact O-N 2.93Å; E312-L314 PolarHBondContact O-N 3.1Å; E312-H315 PolarHBondContact O-N 3.38Å
313S92.9Very high85.7Confident89 Ų8980.1 Ų80.162%0.62243%0.425SS*.G310 helixtrans-67.7-15.7178.649.30000114.5Q131 F311Q131-S313 PolarHBondContact NE2-OG 2.91Å; Q131-S313 PolarHBondContact OE1-OG 3.48Å; Q131-S313 VanDerWaalsContact OE1-OG 3.08Å; F311-S313 PolarHBondContact O-N 3.35Å; F311-S313 VanDerWaalsContact O-N 3.14Å
314L91.8Very high85.5Confident46 Ų4685.5 Ų85.524%0.24144%0.442CS..G310 helixtrans-112.6-2.8-176.2-59.4177.8000112.8Q131 F132 Y135 F311 E312 D316Q131-L314 HydrophobicContact CG-CD1 3.83Å; F132-L314 HydrophobicContact CB-CD1 4.36Å; F132-L314 HydrophobicContact CD2-CD1 4.14Å; F132-L314 HydrophobicContact CD2-CD2 4.17Å; Y135-L314 HydrophobicContact CD1-CB 4.13Å; Y135-L314 HydrophobicContact CD1-CD1 4.16Å; Y135-L314 HydrophobicContact CD2-CB 4.21Å; Y135-L314 HydrophobicContact CD2-CD1 4.49Å; Y135-L314 HydrophobicContact CE1-CB 4.17Å; Y135-L314 HydrophobicContact CE2-CB 4.26Å; Y135-L314 HydrophobicContact CG-CB 4.15Å; Y135-L314 HydrophobicContact CG-CD1 3.9Å; Y135-L314 VanDerWaalsContact CZ-O 3.3Å; Y135-L314 PolarHBondContact OH-O 3.5Å; F311-L314 WeakPolarHBondContact O-CA 3.41Å; F311-L314 PolarHBondContact O-N 3.31Å; E312-L314 PolarHBondContact O-N 3.1Å; L314-D316 PolarHBondContact O-N 3.41Å
315H82.6Confident85.2Confident75 Ų7588.6 Ų88.635%0.34745%0.453SS..  trans-63.3102.3-179.8-82.9-167.1000110.6L306 F311 E312L306-H315 PolarHBondContact O-NE2 2.81Å; F311-H315 PolarHBondContact O-CD2 3.3Å; F311-H315 PolarHBondContact O-N 2.76Å; E312-H315 PolarHBondContact O-N 3.38Å
316D72.2Confident84.9Confident95 Ų9588.7 Ų88.751%0.50845%0.454SS..  trans-92.3128.7163.9-159.4-17.8000109.4L314 E318L314-D316 PolarHBondContact O-N 3.41Å; D316-E318 VanDerWaalsContact C-N 3.28Å; D316-E318 WeakPolarHBondContact OD1-CG 3.36Å; D316-E318 PolarHBondContact OD1-N 2.91Å
317K59.8Low84.5Confident206 Ų20692 Ų9290%0.89647%0.471SS*.  trans-88.96.1176.5-66.9-176.6-179.7176.90112
318E62.2Low83.8Confident152 Ų15290.5 Ų90.571%0.7145%0.454SS*.SBendtrans-58.2146.6174.8-81.3-161.8172.600112.6D316 E320D316-E318 VanDerWaalsContact C-N 3.28Å; D316-E318 WeakPolarHBondContact OD1-CG 3.36Å; D316-E318 PolarHBondContact OD1-N 2.91Å; E318-E320 PolarHBondContact O-N 3.17Å; E318-E320 VanDerWaalsContact O-N 3.13Å
319D59.2Low83.1Confident165 Ų16593.2 Ų93.288%0.88247%0.474SS*.  trans-57.8112.9-170.4-143.50.9000110.4
320E68.1Low82.2Confident99 Ų9994.2 Ų94.246%0.46347%0.472SS..PPolyproline II helixtrans-67133.2-174.8-60.5179.8171.200109.9R142 E318 Q322R142-E320 IonicContact CZ-OE1 3.97Å; R142-E320 IonicContact CZ-OE2 3.62Å; R142-E320 IonicContact NE-OE2 3.65Å; R142-E320 PolarHBondContact NE-OE2 3.02Å; R142-E320 IonicContact NH1-OE1 2.64Å; R142-E320 PolarHBondContact NH1-OE1 3.31Å; R142-E320 IonicContact NH1-OE2 2.73Å; R142-E320 PolarHBondContact NH1-OE2 3.18Å; R142-E320 VanDerWaalsContact NH1-OE2 3.07Å; R142-E320 VanDerWaalsContact NH2-CG 3.33Å; R142-E320 IonicContact NH2-OE1 3.42Å; R142-E320 PolarHBondContact NH2-OE1 2.95Å; R142-E320 IonicContact NH2-OE2 3.07Å; R142-E320 PolarHBondContact NH2-OE2 3.03Å; R142-E320 VanDerWaalsContact NH2-OE2 3.07Å; E318-E320 PolarHBondContact O-N 3.17Å; E318-E320 VanDerWaalsContact O-N 3.13Å; E320-Q322 PolarHBondContact O-N 2.95Å
321P74Confident81.2Confident70 Ų7094.2 Ų94.246%0.45547%0.472SS..PPolyproline II helixtrans-62.4118.2-175.422.7-32.4000110.6Y143Y143-P321 HydrophobicContact CD2-CG 4.17Å; Y143-P321 HydrophobicContact CE2-CB 4.34Å; Y143-P321 HydrophobicContact CE2-CG 4.39Å
322Q81Confident80.1Confident194 Ų19497.7 Ų97.791%0.90749%0.491SS*.PPolyproline II helixtrans-67135.5173.4-64.6-157.7-1.800110.5E320E320-Q322 PolarHBondContact O-N 2.95Å
323V89.5Confident79.6Confident31 Ų3194.4 Ų94.419%0.18848%0.479CS..  trans-119.5136.8177.266.70000110.3Y143 A146 A147Y143-V323 HydrophobicContact CD2-CB 4.1Å; Y143-V323 HydrophobicContact CD2-CG1 4.44Å; Y143-V323 HydrophobicContact CE1-CB 4.27Å; Y143-V323 HydrophobicContact CE1-CG2 3.78Å; Y143-V323 HydrophobicContact CE2-CB 3.58Å; Y143-V323 HydrophobicContact CE2-CG1 4.4Å; Y143-V323 HydrophobicContact CE2-CG2 3.93Å; Y143-V323 VanDerWaalsContact CZ-CG2 3.42Å; Y143-V323 VanDerWaalsContact OH-CG2 3.31Å; Y143-V323 WeakPolarHBondContact OH-CG2 3.32Å; A146-V323 HydrophobicContact CB-CG1 3.54Å; A147-V323 HydrophobicContact CB-CG1 4.09Å; A147-V323 HydrophobicContact CB-CG2 3.77Å
324Q90.7Very high79.4Confident162 Ų16297.8 Ų97.876%0.75749%0.49SS*.PPolyproline II helixtrans-74.7144.5170.3-66.3179.90.400109.4H80 Y326H80-Q324 PolarHBondContact CE1-O 3.12Å; H80-Q324 VanDerWaalsContact CE1-O 3.27Å; H80-Q324 PolarHBondContact NE2-O 3.05Å; Q324-Y326 PolarHBondContact O-N 3.38Å
325K91.3Very high79.4Confident176 Ų17697.4 Ų97.477%0.76549%0.486SS*.PPolyproline II helixtrans-56.7136.9171.8-70.7-169.3175.7-173.70109.9D327K325-D327 PolarHBondContact O-N 3.14Å
326Y90.4Very high80.1Confident5 Ų597.1 Ų97.12%0.0249%0.489CS..PPolyproline II helixtrans-74.1124.5176.2176.8-93.6000109.8R76 L77 H80 A147 I149 Q177 Q324 D328 D331R76-Y326 HydrophobicContact CB-CE2 4.06Å; R76-Y326 VanDerWaalsContact CB-OH 3.26Å; R76-Y326 WeakPolarHBondContact CB-OH 3.13Å; R76-Y326 PolarHBondContact NH1-OH 2.97Å; R76-Y326 VanDerWaalsContact NH1-OH 3.16Å; L77-Y326 HydrophobicContact CD2-CD1 4.17Å; L77-Y326 HydrophobicContact CD2-CD2 3.73Å; L77-Y326 HydrophobicContact CD2-CE1 4.05Å; L77-Y326 HydrophobicContact CD2-CE2 3.62Å; L77-Y326 HydrophobicContact CD2-CG 3.97Å; L77-Y326 HydrophobicContact CG-CE2 4.1Å; H80-Y326 HydrophobicContact CB-CD2 3.98Å; H80-Y326 HydrophobicContact CB-CE2 4.39Å; H80-Y326 AromaticContact CG-CD2 3.8Å; A147-Y326 PolarHBondContact O-N 2.9Å; I149-Y326 HydrophobicContact CD1-CD1 3.62Å; I149-Y326 HydrophobicContact CD1-CE1 4.35Å; I149-Y326 HydrophobicContact CD1-CG 3.92Å; I149-Y326 HydrophobicContact CG1-CD1 4.49Å; I149-Y326 HydrophobicContact CG1-CG 4.31Å; Q177-Y326 PolarHBondContact NE2-O 3.5Å; Q324-Y326 PolarHBondContact O-N 3.38Å; Y326-D328 HydrophobicContact CD1-CB 3.97Å; Y326-D328 HydrophobicContact CE1-CB 3.84Å; Y326-D328 PolarHBondContact O-N 2.83Å; Y326-D331 WeakPolarHBondContact CE1-OD2 3.37Å; Y326-D331 VanDerWaalsContact OH-CG 3.29Å; Y326-D331 PolarHBondContact OH-OD1 3.45Å; Y326-D331 PolarHBondContact OH-OD2 3.02Å
327D87.7Confident81.2Confident78 Ų7895.1 Ų95.142%0.41748%0.478SS..  trans-80.9102.4176.5-178.610.2000110.7R76 K325 S329 F330R76-D327 VanDerWaalsContact CZ-O 3.24Å; R76-D327 PolarHBondContact NH1-O 2.88Å; R76-D327 PolarHBondContact NH2-O 2.99Å; K325-D327 PolarHBondContact O-N 3.14Å; D327-S329 VanDerWaalsContact OD1-CB 3.27Å; D327-S329 WeakPolarHBondContact OD1-CB 3.3Å; D327-S329 PolarHBondContact OD1-N 3.28Å; D327-S329 PolarHBondContact OD1-OG 3.19Å; D327-S329 VanDerWaalsContact OD1-OG 3.05Å; D327-F330 VanDerWaalsContact OD2-CE2 3.3Å; D327-F330 WeakPolarHBondContact OD2-CE2 3.43Å
328D81.6Confident82.9Confident37 Ų3790.3 Ų90.320%0.19846%0.463CS..  trans-95.56.8178.674.2-21.9000113.2Q177 Y326 F330 D331Q177-D328 HydrophobicContact CG-CB 4.32Å; Q177-D328 WeakPolarHBondContact CG-OD2 3.31Å; Q177-D328 PolarHBondContact NE2-OD1 3.46Å; Q177-D328 PolarHBondContact NE2-OD2 2.95Å; Q177-D328 PolarHBondContact OE1-OD2 3.12Å; Y326-D328 HydrophobicContact CD1-CB 3.97Å; Y326-D328 HydrophobicContact CE1-CB 3.84Å; Y326-D328 PolarHBondContact O-N 2.83Å; D328-F330 PolarHBondContact O-N 2.68Å; D328-D331 HydrophobicContact CB-CB 4.2Å; D328-D331 WeakPolarHBondContact O-CB 3.14Å; D328-D331 PolarHBondContact O-N 3.18Å
329S82.6Confident84.5Confident70 Ų7086.8 Ų86.849%0.4945%0.446SS..THydrogen-bonded Turntrans-58.8-23.4177.680.50000111.8D327 V333D327-S329 VanDerWaalsContact OD1-CB 3.27Å; D327-S329 WeakPolarHBondContact OD1-CB 3.3Å; D327-S329 PolarHBondContact OD1-N 3.28Å; D327-S329 PolarHBondContact OD1-OG 3.19Å; D327-S329 VanDerWaalsContact OD1-OG 3.05Å; S329-V333 WeakPolarHBondContact O-CG2 3.18Å
330F78.3Confident86.3Confident93 Ų9379.2 Ų79.241%0.40841%0.405SS..THydrogen-bonded Turntrans-87.3-15.3174.9-62.3-87000113.6D327 D328 R335D327-F330 VanDerWaalsContact OD2-CE2 3.3Å; D327-F330 WeakPolarHBondContact OD2-CE2 3.43Å; D328-F330 PolarHBondContact O-N 2.68Å; F330-R335 PolarHBondContact O-NH1 3.43Å; F330-R335 PolarHBondContact O-NH2 2.94Å
331D77.9Confident87.6Confident5 Ų576 Ų763%0.02739%0.389CS..THydrogen-bonded Turntrans-87.5-22.8-172.4-74.24.7000112.9K69 R73 R76 Y326 D328K69-D331 WeakPolarHBondContact CE-O 3.49Å; K69-D331 PolarHBondContact NZ-O 3.39Å; R73-D331 WeakPolarHBondContact CG-OD2 3.33Å; R73-D331 IonicContact NE-OD2 3.57Å; R73-D331 PolarHBondContact NH2-O 3.32Å; R76-D331 IonicContact CZ-OD1 2.86Å; R76-D331 IonicContact NH1-OD1 3.98Å; R76-D331 PolarHBondContact NH1-OD1 3.13Å; R76-D331 IonicContact NH1-OD2 3.08Å; Y326-D331 WeakPolarHBondContact CE1-OD2 3.37Å; Y326-D331 VanDerWaalsContact OH-CG 3.29Å; Y326-D331 PolarHBondContact OH-OD1 3.45Å; Y326-D331 PolarHBondContact OH-OD2 3.02Å; D328-D331 HydrophobicContact CB-CB 4.2Å; D328-D331 WeakPolarHBondContact O-CB 3.14Å; D328-D331 PolarHBondContact O-N 3.18Å
332D73.7Confident88.7Confident74 Ų7478 Ų7840%0.39639%0.388SS..SBendtrans-115.717.9-178.7-73.3-32.2000114K69 R73K69-D332 WeakPolarHBondContact CE-OD1 2.91Å; K69-D332 IonicContact NZ-OD1 2.76Å; K69-D332 PolarHBondContact NZ-OD1 2.89Å; R73-D332 IonicContact NH2-OD1 3.01Å; R73-D332 PolarHBondContact NH2-OD1 3.43Å
333V85Confident89.5Confident61 Ų6170.3 Ų70.337%0.3735%0.354SS..SBendtrans-73.2131168-172.80000109.5S329 R335 W340S329-V333 WeakPolarHBondContact O-CG2 3.18Å; V333-R335 HydrophobicContact CB-CG 4.39Å; V333-R335 HydrophobicContact CG1-CG 4.14Å; V333-R335 PolarHBondContact O-N 2.93Å; V333-W340 WeakPolarHBondContact O-CZ2 3.47Å
334D87.5Confident89.8Confident160 Ų16068.8 Ų68.886%0.85635%0.345SS*.  trans-63.5115.9167.9-75.7-21.7000109.4
335R93.1Very high90.1Very high37 Ų3762.3 Ų62.314%0.1431%0.314CS..  trans-135.6141.2179-71.2-170.4-171.189.24.1109.3F330 V333 E339 W340F330-R335 PolarHBondContact O-NH1 3.43Å; F330-R335 PolarHBondContact O-NH2 2.94Å; V333-R335 HydrophobicContact CB-CG 4.39Å; V333-R335 HydrophobicContact CG1-CG 4.14Å; V333-R335 PolarHBondContact O-N 2.93Å; R335-E339 WeakPolarHBondContact CA-OE2 3.17Å; R335-E339 HydrophobicContact CB-CB 3.89Å; R335-E339 HydrophobicContact CG-CB 4.21Å; R335-W340 HydrophobicContact CB-CD2 4.1Å; R335-W340 HydrophobicContact CB-CG 4.16Å; R335-W340 HydrophobicContact CB-CZ2 4.22Å; R335-W340 HydrophobicContact CG-CZ2 4.49Å; R335-W340 PolarHBondContact O-NE1 3.1Å
336T96Very high90.4Very high70 Ų7060.3 Ų60.343%0.42931%0.305SS..  trans-63.2163.5167.862.10000110.9D338 E339 W340T336-D338 VanDerWaalsContact C-N 3.3Å; T336-D338 PolarHBondContact O-N 3.46Å; T336-E339 WeakPolarHBondContact CB-OE2 3.35Å; T336-E339 PolarHBondContact N-OE2 3.07Å; T336-E339 PolarHBondContact O-N 2.71Å; T336-E339 VanDerWaalsContact OG1-CD 3.26Å; T336-E339 VanDerWaalsContact OG1-CG 3.24Å; T336-E339 WeakPolarHBondContact OG1-CG 3.45Å; T336-E339 PolarHBondContact OG1-N 3.43Å; T336-E339 PolarHBondContact OG1-OE2 2.85Å; T336-W340 PolarHBondContact O-N 2.95Å
337L95.3Very high90.7Very high52 Ų5262.3 Ų62.327%0.27232%0.315SS..Hα-helixtrans-55.7-43177.5-173.562.2000113.1F62 E65 A68 E339 W340 K341F62-L337 HydrophobicContact CB-CD1 4.2Å; F62-L337 WeakPolarHBondContact O-CD2 3.49Å; E65-L337 HydrophobicContact CG-CB 4.3Å; A68-L337 HydrophobicContact CB-CD1 3.78Å; L337-E339 VanDerWaalsContact C-N 3.34Å; L337-E339 PolarHBondContact O-N 3.47Å; L337-W340 PolarHBondContact O-N 2.95Å; L337-K341 WeakPolarHBondContact O-CB 3.47Å; L337-K341 PolarHBondContact O-N 3.5Å
338D95.6Very high91.1Very high106 Ų10659 Ų5957%0.56730%0.297SS*.Hα-helixtrans-68.3-34.2-179.7-72.5-22.7000112.3T336 K341 R342T336-D338 VanDerWaalsContact C-N 3.3Å; T336-D338 PolarHBondContact O-N 3.46Å; D338-K341 PolarHBondContact O-N 3.49Å; D338-R342 VanDerWaalsContact O-CB 3.29Å; D338-R342 WeakPolarHBondContact O-CB 3.42Å; D338-R342 PolarHBondContact O-N 3.07Å
339E96.3Very high91.7Very high78 Ų7862.5 Ų62.536%0.36432%0.316SS..Hα-helixtrans-67.8-44.4174.3-72.7168.8139.300111.2R335 T336 L337 K341 R342 V343R335-E339 WeakPolarHBondContact CA-OE2 3.17Å; R335-E339 HydrophobicContact CB-CB 3.89Å; R335-E339 HydrophobicContact CG-CB 4.21Å; T336-E339 WeakPolarHBondContact CB-OE2 3.35Å; T336-E339 PolarHBondContact N-OE2 3.07Å; T336-E339 PolarHBondContact O-N 2.71Å; T336-E339 VanDerWaalsContact OG1-CD 3.26Å; T336-E339 VanDerWaalsContact OG1-CG 3.24Å; T336-E339 WeakPolarHBondContact OG1-CG 3.45Å; T336-E339 PolarHBondContact OG1-N 3.43Å; T336-E339 PolarHBondContact OG1-OE2 2.85Å; L337-E339 VanDerWaalsContact C-N 3.34Å; L337-E339 PolarHBondContact O-N 3.47Å; E339-K341 VanDerWaalsContact C-N 3.35Å; E339-K341 PolarHBondContact O-N 2.97Å; E339-R342 PolarHBondContact O-N 3.01Å; E339-V343 WeakPolarHBondContact O-CG2 3.29Å; E339-V343 PolarHBondContact O-N 2.97Å
340W95.9Very high92.3Very high5 Ų562.2 Ų62.22%0.01931%0.313CS..Hα-helixtrans-59.2-45.1172.7-79120.5000112.1A68 K69 Y72 V333 R335 T336 L337 R342 V343 T344A68-W340 HydrophobicContact CB-CB 3.57Å; A68-W340 HydrophobicContact CB-CG 4.04Å; K69-W340 HydrophobicContact CB-CD2 4.35Å; K69-W340 HydrophobicContact CB-CH2 4.47Å; K69-W340 HydrophobicContact CB-CZ2 3.94Å; K69-W340 HydrophobicContact CD-CZ2 4.08Å; K69-W340 HydrophobicContact CG-CH2 3.98Å; K69-W340 HydrophobicContact CG-CZ2 3.66Å; Y72-W340 AromaticContact CD1-CE3 3.98Å; Y72-W340 HydrophobicContact CD1-CE3 3.98Å; Y72-W340 HydrophobicContact CD1-CH2 4.33Å; Y72-W340 AromaticContact CD1-CZ3 3.36Å; Y72-W340 HydrophobicContact CD1-CZ3 3.36Å; Y72-W340 AromaticContact CE1-CZ3 3.72Å; Y72-W340 HydrophobicContact CE1-CZ3 3.72Å; Y72-W340 AromaticContact CG-CE3 3.94Å; Y72-W340 HydrophobicContact CG-CE3 3.94Å; Y72-W340 AromaticContact CG-CZ3 3.82Å; Y72-W340 HydrophobicContact CG-CZ3 3.82Å; V333-W340 WeakPolarHBondContact O-CZ2 3.47Å; R335-W340 HydrophobicContact CB-CD2 4.1Å; R335-W340 HydrophobicContact CB-CG 4.16Å; R335-W340 HydrophobicContact CB-CZ2 4.22Å; R335-W340 HydrophobicContact CG-CZ2 4.49Å; R335-W340 PolarHBondContact O-NE1 3.1Å; T336-W340 PolarHBondContact O-N 2.95Å; L337-W340 PolarHBondContact O-N 2.95Å; W340-R342 VanDerWaalsContact C-N 3.34Å; W340-R342 PolarHBondContact O-N 3.34Å; W340-V343 HydrophobicContact CE3-CG2 3.82Å; W340-V343 HydrophobicContact CZ3-CG2 4.33Å; W340-V343 VanDerWaalsContact O-CG2 3.3Å; W340-V343 WeakPolarHBondContact O-CG2 2.89Å; W340-V343 PolarHBondContact O-N 2.72Å; W340-T344 VanDerWaalsContact O-CB 3.31Å; W340-T344 WeakPolarHBondContact O-CB 3.4Å; W340-T344 PolarHBondContact O-N 3.28Å; W340-T344 PolarHBondContact O-OG1 3.48Å
341K96.8Very high93.1Very high31 Ų3159.2 Ų59.214%0.13530%0.3CS..Hα-helixtrans-59-45.3176.1-178.1173151.4165.50110.9F62 L99 D100 F102 L337 D338 E339 T344 Y345F62-K341 HydrophobicContact CD1-CB 3.93Å; F62-K341 HydrophobicContact CD1-CG 4.26Å; F62-K341 HydrophobicContact CD2-CD 4.35Å; F62-K341 HydrophobicContact CD2-CG 4.26Å; F62-K341 HydrophobicContact CE1-CB 4.14Å; F62-K341 HydrophobicContact CE1-CG 4.34Å; F62-K341 HydrophobicContact CE2-CG 4.33Å; F62-K341 HydrophobicContact CG-CB 4.3Å; F62-K341 HydrophobicContact CG-CD 4.38Å; F62-K341 HydrophobicContact CG-CG 4.24Å; F62-K341 HydrophobicContact CZ-CG 4.38Å; L99-K341 HydrophobicContact CD1-CG 4.16Å; L99-K341 WeakPolarHBondContact O-CE 3.39Å; L99-K341 PolarHBondContact O-NZ 3.29Å; D100-K341 PolarHBondContact O-NZ 2.67Å; F102-K341 HydrophobicContact CD1-CG 3.65Å; F102-K341 HydrophobicContact CE1-CG 4.3Å; F102-K341 WeakPolarHBondContact O-CD 3.32Å; F102-K341 WeakPolarHBondContact O-CE 3.24Å; F102-K341 PolarHBondContact O-NZ 3.48Å; L337-K341 WeakPolarHBondContact O-CB 3.47Å; L337-K341 PolarHBondContact O-N 3.5Å; D338-K341 PolarHBondContact O-N 3.49Å; E339-K341 VanDerWaalsContact C-N 3.35Å; E339-K341 PolarHBondContact O-N 2.97Å; K341-T344 PolarHBondContact O-N 3.05Å; K341-Y345 WeakPolarHBondContact O-CB 3.37Å; K341-Y345 PolarHBondContact O-N 2.79Å
342R97.1Very high93.6Very high112 Ų11267.5 Ų67.542%0.42334%0.336SS..Hα-helixtrans-62.7-46.9177.7-174.7-179.9-63125.12.1113.2L99 D338 E339 W340 Y345 K346L99-R342 HydrophobicContact CD1-CB 4.35Å; L99-R342 HydrophobicContact CD2-CB 4.02Å; L99-R342 HydrophobicContact CD2-CG 3.83Å; D338-R342 VanDerWaalsContact O-CB 3.29Å; D338-R342 WeakPolarHBondContact O-CB 3.42Å; D338-R342 PolarHBondContact O-N 3.07Å; E339-R342 PolarHBondContact O-N 3.01Å; W340-R342 VanDerWaalsContact C-N 3.34Å; W340-R342 PolarHBondContact O-N 3.34Å; R342-Y345 PolarHBondContact O-N 2.76Å; R342-K346 WeakPolarHBondContact O-CG 3.44Å; R342-K346 PolarHBondContact O-N 3.49Å; R342-K346 VanDerWaalsContact O-N 3.13Å
343V96.6Very high94.2Very high33 Ų3367.6 Ų67.620%0.234%0.34CS..Hα-helixtrans-69.1-37179.1-61.60000111.4Y72 E339 W340 K346 E347Y72-V343 HydrophobicContact CD2-CB 4.39Å; Y72-V343 HydrophobicContact CD2-CG2 3.71Å; Y72-V343 HydrophobicContact CE2-CB 3.78Å; Y72-V343 HydrophobicContact CE2-CG2 3.48Å; Y72-V343 VanDerWaalsContact CE2-CG2 3.48Å; Y72-V343 HydrophobicContact CG-CG2 4.37Å; E339-V343 WeakPolarHBondContact O-CG2 3.29Å; E339-V343 PolarHBondContact O-N 2.97Å; W340-V343 HydrophobicContact CE3-CG2 3.82Å; W340-V343 HydrophobicContact CZ3-CG2 4.33Å; W340-V343 VanDerWaalsContact O-CG2 3.3Å; W340-V343 WeakPolarHBondContact O-CG2 2.89Å; W340-V343 PolarHBondContact O-N 2.72Å; V343-K346 PolarHBondContact O-N 3.48Å; V343-E347 WeakPolarHBondContact O-CG 3.37Å; V343-E347 PolarHBondContact O-N 3.34Å
344T96.8Very high94Very high0 Ų068 Ų680%034%0.344CS..Hα-helixtrans-62.8-44.7174.5-54.20000111.1F62 L75 F102 F105 W340 K341 K346 E347 V348F62-T344 HydrophobicContact CE1-CG2 4.24Å; F62-T344 HydrophobicContact CZ-CG2 4Å; L75-T344 HydrophobicContact CD2-CG2 4.26Å; F102-T344 HydrophobicContact CE1-CG2 4.2Å; F102-T344 HydrophobicContact CZ-CG2 4.17Å; F105-T344 HydrophobicContact CD1-CG2 4.37Å; F105-T344 HydrophobicContact CE1-CG2 3.86Å; F105-T344 HydrophobicContact CZ-CG2 4.07Å; W340-T344 VanDerWaalsContact O-CB 3.31Å; W340-T344 WeakPolarHBondContact O-CB 3.4Å; W340-T344 PolarHBondContact O-N 3.28Å; W340-T344 PolarHBondContact O-OG1 3.48Å; K341-T344 PolarHBondContact O-N 3.05Å; T344-K346 VanDerWaalsContact C-N 3.32Å; T344-K346 PolarHBondContact O-N 2.9Å; T344-E347 WeakPolarHBondContact O-CB 3.39Å; T344-E347 PolarHBondContact O-N 3.02Å; T344-E347 VanDerWaalsContact O-N 3.1Å; T344-V348 WeakPolarHBondContact O-CG2 2.86Å; T344-V348 PolarHBondContact O-N 3.43Å
345Y97.6Very high93.1Very high26 Ų2671.9 Ų71.910%0.10235%0.347CS..Hα-helixtrans-59.7-42.5177.4-167.8-117000112T94 D96 E97 T98 L99 F102 K341 R342 E347 V348 L349T94-Y345 HydrophobicContact CG2-CD2 4.36Å; T94-Y345 HydrophobicContact CG2-CE2 3.88Å; D96-Y345 PolarHBondContact O-OH 3.48Å; E97-Y345 VanDerWaalsContact C-OH 3.3Å; E97-Y345 PolarHBondContact O-OH 3.27Å; E97-Y345 VanDerWaalsContact O-OH 3.07Å; T98-Y345 PolarHBondContact N-OH 2.88Å; L99-Y345 HydrophobicContact CB-CD1 4.03Å; L99-Y345 HydrophobicContact CB-CE1 4.14Å; L99-Y345 HydrophobicContact CD1-CD1 4.02Å; L99-Y345 HydrophobicContact CD1-CG 3.96Å; F102-Y345 HydrophobicContact CB-CD2 3.82Å; F102-Y345 HydrophobicContact CB-CE2 4.05Å; F102-Y345 AromaticContact CD1-CD2 3.57Å; F102-Y345 HydrophobicContact CD1-CD2 3.57Å; F102-Y345 AromaticContact CD1-CG 3.97Å; F102-Y345 HydrophobicContact CD1-CG 3.97Å; F102-Y345 AromaticContact CD2-CD2 3.67Å; F102-Y345 HydrophobicContact CD2-CD2 3.67Å; F102-Y345 HydrophobicContact CD2-CE2 4.08Å; F102-Y345 AromaticContact CE1-CD2 3.96Å; F102-Y345 HydrophobicContact CE1-CD2 3.96Å; F102-Y345 HydrophobicContact CE1-CG 4.33Å; F102-Y345 HydrophobicContact CE2-CD2 4.06Å; F102-Y345 AromaticContact CG-CD2 3.41Å; F102-Y345 HydrophobicContact CG-CD2 3.41Å; F102-Y345 VanDerWaalsContact CG-CD2 3.41Å; F102-Y345 HydrophobicContact CG-CE2 4Å; F102-Y345 HydrophobicContact CG-CG 4.21Å; F102-Y345 HydrophobicContact CZ-CD2 4.2Å; K341-Y345 WeakPolarHBondContact O-CB 3.37Å; K341-Y345 PolarHBondContact O-N 2.79Å; R342-Y345 PolarHBondContact O-N 2.76Å; Y345-E347 PolarHBondContact O-N 3.49Å; Y345-V348 PolarHBondContact O-N 3.19Å; Y345-L349 HydrophobicContact CD1-CD1 3.88Å; Y345-L349 HydrophobicContact CD1-CG 4.46Å; Y345-L349 HydrophobicContact CE1-CD1 3.43Å; Y345-L349 VanDerWaalsContact CE1-CD1 3.43Å; Y345-L349 HydrophobicContact CE1-CG 4.22Å; Y345-L349 WeakPolarHBondContact O-CG 3.43Å; Y345-L349 PolarHBondContact O-N 3.23Å
346K96.8Very high91.3Very high134 Ų13477.1 Ų77.158%0.58337%0.373SS*.Hα-helixtrans-61.7-40.8173.6-71.9178.8178.4-1760112.4R342 V343 T344 V348 L349 S350R342-K346 WeakPolarHBondContact O-CG 3.44Å; R342-K346 PolarHBondContact O-N 3.49Å; R342-K346 VanDerWaalsContact O-N 3.13Å; V343-K346 PolarHBondContact O-N 3.48Å; T344-K346 VanDerWaalsContact C-N 3.32Å; T344-K346 PolarHBondContact O-N 2.9Å; K346-V348 VanDerWaalsContact C-N 3.35Å; K346-L349 PolarHBondContact O-N 3.33Å; K346-S350 WeakPolarHBondContact O-CB 3.5Å; K346-S350 PolarHBondContact O-N 3.44Å; K346-S350 PolarHBondContact O-OG 2.77Å
347E95.7Very high88.6Confident47 Ų4782.1 Ų82.122%0.2240%0.396CS..Hα-helixtrans-64.6-37.9176.7-75.2-60.5143.300112.7Y72 L75 R76 K79 V343 T344 Y345 S350 F351Y72-E347 HydrophobicContact CD2-CG 4.28Å; Y72-E347 HydrophobicContact CE2-CG 3.63Å; L75-E347 HydrophobicContact CD2-CB 3.6Å; L75-E347 HydrophobicContact CG-CB 4.28Å; R76-E347 HydrophobicContact CG-CG 4.37Å; K79-E347 WeakPolarHBondContact CE-OE2 3.2Å; K79-E347 PolarHBondContact NZ-O 3.09Å; K79-E347 IonicContact NZ-OE2 3.78Å; K79-E347 PolarHBondContact NZ-OE2 3.45Å; V343-E347 WeakPolarHBondContact O-CG 3.37Å; V343-E347 PolarHBondContact O-N 3.34Å; T344-E347 WeakPolarHBondContact O-CB 3.39Å; T344-E347 PolarHBondContact O-N 3.02Å; T344-E347 VanDerWaalsContact O-N 3.1Å; Y345-E347 PolarHBondContact O-N 3.49Å; E347-S350 PolarHBondContact O-OG 3.22Å; E347-F351 PolarHBondContact O-N 3.46Å
348V96.9Very high85.7Confident8 Ų882.8 Ų82.85%0.04842%0.415CS..Hα-helixtrans-64.3-51.9174.2172.20000110.7L75 V92 T94 F102 F105 T344 Y345 K346 S350 F351L75-V348 HydrophobicContact CD2-CG2 3.79Å; V92-V348 HydrophobicContact CG2-CB 4.36Å; V92-V348 HydrophobicContact CG2-CG1 4.13Å; V92-V348 HydrophobicContact CG2-CG2 3.84Å; T94-V348 HydrophobicContact CG2-CG1 4.12Å; F102-V348 HydrophobicContact CZ-CG2 4.36Å; F105-V348 HydrophobicContact CB-CG2 4.29Å; F105-V348 HydrophobicContact CD2-CG2 4.35Å; F105-V348 HydrophobicContact CG-CG2 4.32Å; T344-V348 WeakPolarHBondContact O-CG2 2.86Å; T344-V348 PolarHBondContact O-N 3.43Å; Y345-V348 PolarHBondContact O-N 3.19Å; K346-V348 VanDerWaalsContact C-N 3.35Å; V348-S350 VanDerWaalsContact C-N 3.34Å; V348-S350 PolarHBondContact O-N 3.24Å; V348-F351 WeakPolarHBondContact O-CB 3.37Å; V348-F351 PolarHBondContact O-N 3.28Å
349L94.9Very high82.8Confident111 Ų11182.1 Ų82.158%0.58143%0.425SS*.Hα-helixtrans-69.8-28.4-176.8-66.2-175.4000113.8Y345 K346 F351Y345-L349 HydrophobicContact CD1-CD1 3.88Å; Y345-L349 HydrophobicContact CD1-CG 4.46Å; Y345-L349 HydrophobicContact CE1-CD1 3.43Å; Y345-L349 VanDerWaalsContact CE1-CD1 3.43Å; Y345-L349 HydrophobicContact CE1-CG 4.22Å; Y345-L349 WeakPolarHBondContact O-CG 3.43Å; Y345-L349 PolarHBondContact O-N 3.23Å; K346-L349 PolarHBondContact O-N 3.33Å; L349-F351 VanDerWaalsContact C-N 3.29Å
350S94.9Very high79.9Confident63 Ų6390.3 Ų90.344%0.44145%0.452SS..THydrogen-bonded Turntrans-82.9-4.2179630000113.8K79 K346 E347 V348 K352K79-S350 PolarHBondContact NZ-OG 2.95Å; K346-S350 WeakPolarHBondContact O-CB 3.5Å; K346-S350 PolarHBondContact O-N 3.44Å; K346-S350 PolarHBondContact O-OG 2.77Å; E347-S350 PolarHBondContact O-OG 3.22Å; V348-S350 VanDerWaalsContact C-N 3.34Å; V348-S350 PolarHBondContact O-N 3.24Å; S350-K352 PolarHBondContact O-N 3.26Å
351F94.2Very high76.8Confident31 Ų3196 Ų9614%0.13649%0.488CS..  trans-62.9131.6-178.3-177.7-101.9000111.4K79 L89 V92 E347 V348 L349 P353K79-F351 HydrophobicContact CD-CD2 4.08Å; K79-F351 HydrophobicContact CG-CD2 3.88Å; K79-F351 HydrophobicContact CG-CE2 4.15Å; L89-F351 HydrophobicContact CB-CE2 3.97Å; L89-F351 HydrophobicContact CB-CZ 4.12Å; L89-F351 HydrophobicContact CD2-CD2 3.92Å; L89-F351 HydrophobicContact CD2-CE2 3.63Å; L89-F351 HydrophobicContact CD2-CZ 4.19Å; L89-F351 HydrophobicContact CG-CE2 3.95Å; L89-F351 HydrophobicContact CG-CZ 4.05Å; V92-F351 HydrophobicContact CG1-CB 3.31Å; V92-F351 HydrophobicContact CG1-CD1 3.83Å; V92-F351 HydrophobicContact CG1-CD2 3.91Å; V92-F351 HydrophobicContact CG1-CG 3.4Å; E347-F351 PolarHBondContact O-N 3.46Å; V348-F351 WeakPolarHBondContact O-CB 3.37Å; V348-F351 PolarHBondContact O-N 3.28Å; L349-F351 VanDerWaalsContact C-N 3.29Å; F351-P353 HydrophobicContact CD1-CG 4.4Å; F351-P353 HydrophobicContact CE1-CB 4.23Å; F351-P353 HydrophobicContact CE1-CG 4.06Å
352K90.1Very high73.6Confident179 Ų17999.4 Ų99.478%0.77852%0.515SS*.  trans-115.4118.2172.9-65.9-176.5-177.5178.60107.5S350S350-K352 PolarHBondContact O-N 3.26Å
353P85.2Confident70.6Confident75 Ų75103.5 Ų103.549%0.48754%0.536SS..PPolyproline II helixtrans-54.3143.6177.6-25.933.7000111.3F351 R355F351-P353 HydrophobicContact CD1-CG 4.4Å; F351-P353 HydrophobicContact CE1-CB 4.23Å; F351-P353 HydrophobicContact CE1-CG 4.06Å; P353-R355 PolarHBondContact O-N 3.35Å
354P80.2Confident67.5Low69 Ų69110.7 Ų110.745%0.44857%0.567SS.*PPolyproline II helixtrans-56.6136.217221.9-29.4000109.3L90 Q356L90-P354 HydrophobicContact CD2-CG 4.49Å; P354-Q356 PolarHBondContact O-N 2.84Å
355R68.3Low64.6Low243 Ų243117.2 Ų117.292%0.91761%0.608SS**PPolyproline II helixtrans-58.9117.8171.7-73.2-175.8178.4-179.7-0.6106.7P353 L357P353-R355 PolarHBondContact O-N 3.35Å; R355-L357 PolarHBondContact O-N 2.68Å
356Q55.5Low61.4Low147 Ų147120.7 Ų120.769%0.68764%0.642SS**  trans-59.9108.3172-70.7177.8100107P354 G358P354-Q356 PolarHBondContact O-N 2.84Å; Q356-G358 PolarHBondContact O-N 2.89Å; Q356-G358 VanDerWaalsContact O-N 3.11Å
357L39.3Very low58.4Low175 Ų175125.9 Ų125.992%0.91667%0.674SS**  trans-58.7115.3156.7-87.4123.4000104.5R355 A359R355-L357 PolarHBondContact O-N 2.68Å; L357-A359 PolarHBondContact O-N 3.44Å
358G35Very low56.5Low65 Ų65129.8 Ų129.867%0.6770%0.697SS**  trans-46.2142-173.300000111Q356 R360Q356-G358 PolarHBondContact O-N 2.89Å; Q356-G358 VanDerWaalsContact O-N 3.11Å; G358-R360 PolarHBondContact O-N 2.72Å
359A35.4Very low54.4Low93 Ų93136.2 Ų136.277%0.76973%0.731SS**  trans-35.3118.2173.600000109.9L357 V361L357-A359 PolarHBondContact O-N 3.44Å; A359-V361 VanDerWaalsContact C-N 3.26Å; A359-V361 PolarHBondContact O-N 3.03Å
360R34.3Very low52.1Low249 Ų249137.6 Ų137.694%0.9474%0.74SS**  trans-57103.4163.4-87-178173177.8-1.7104.9G358 S362G358-R360 PolarHBondContact O-N 2.72Å; R360-S362 PolarHBondContact O-N 2.8Å
361V30.5Very low49.6Very low126 Ų126142 Ų14276%0.76476%0.757SS**  trans-52.7116.1165.3179.50000104.6A359 K363A359-V361 VanDerWaalsContact C-N 3.26Å; A359-V361 PolarHBondContact O-N 3.03Å; V361-K363 PolarHBondContact O-N 2.79Å
362S31.1Very low46.8Very low102 Ų102148.9 Ų148.971%0.71380%0.796SS**  trans-46.7110.4166.922.80000106.6R360 E364R360-S362 PolarHBondContact O-N 2.8Å; S362-E364 PolarHBondContact O-N 3.33Å
363K32.8Very low43.9Very low198 Ų198146.9 Ų146.986%0.86180%0.797SS**  trans-63.499.1164.2-78.2-174.6176.4-178.30104.7V361 T365V361-K363 PolarHBondContact O-N 2.79Å; K363-T365 VanDerWaalsContact C-N 3.33Å; K363-T365 PolarHBondContact O-N 3.45Å
364E33Very low41Very low183 Ų183152.1 Ų152.186%0.85582%0.819SS**  trans-50.3108155.6-80.8176.7147.100106S362 A366S362-E364 PolarHBondContact O-N 3.33Å; E364-A366 PolarHBondContact O-N 2.86Å
365T34.1Very low38Very low138 Ų138158.5 Ų158.585%0.84785%0.848SS**  trans-61.795.8159.616.70000106.3K363 L367K363-T365 VanDerWaalsContact C-N 3.33Å; K363-T365 PolarHBondContact O-N 3.45Å; T365-L367 PolarHBondContact O-N 3.42Å; T365-L367 VanDerWaalsContact O-N 3.16Å
366A31Very low35.4Very low99 Ų99151.4 Ų151.482%0.81884%0.842SS**  trans-57.3113.416000000107.7E364E364-A366 PolarHBondContact O-N 2.86Å
367L33.2Very low33.6Very low242 Ų242151.8 Ų151.8100%1.26786%0.856SS**  trans-76.20155.9-96.2157.6000109.2T365T365-L367 PolarHBondContact O-N 3.42Å; T365-L367 VanDerWaalsContact O-N 3.16Å

Retrieved 367 of 367 residues in 173 ms (Link to these results)

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