A0A087XLX0_POEFO Loading...

Wiskott-Aldrich syndrome protein family member

Downstream effector molecule involved in the transmission of signals from tyrosine kinase receptors and small GTPases to the actin cytoskeleton. Promotes formation of actin filaments. Part of the WAVE complex that regulates lamellipodia formation. The WAVE complex regulates actin filament reorganization via its interaction with the Arp2/3 complex.

AlphaFold DB , UniProt , Accession A0A087XLX0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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
1M42.5Very low72.5Confident222 Ų222110.5 Ų110.5100%1.09456%0.559SS**  0123.70-73.5178.472.200107.9L3M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å
2P53.4Low73.9Confident130 Ų130109.6 Ų109.684%0.84455%0.551SS**  trans-67.7111.817027.5-29.7000108V4P2-V4 PolarHBondContact O-N 3.45Å
3L59Low75Confident126 Ų126103.3 Ų103.366%0.6652%0.521SS*.  trans-68.8118.3169.5-72.4162.8000106.5M1 T5M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-T5 PolarHBondContact O-N 3.36Å
4V64.9Low75.8Confident99 Ų99101.2 Ų101.260%0.652%0.521SS*.  trans-67.5104.8172.7-173.90000106.4P2 N7P2-V4 PolarHBondContact O-N 3.45Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.44Å
5T65.2Low76.4Confident50 Ų50107.7 Ų107.731%0.30754%0.536SS..  trans-74.5-30.3-173.651.60000111.5L3 P120 V121L3-T5 PolarHBondContact O-N 3.36Å; T5-P120 WeakPolarHBondContact O-CB 3.36Å; T5-V121 HydrophobicContact CG2-CG2 3.85Å
6R78.9Confident76.6Confident64 Ų64107.1 Ų107.124%0.24253%0.532CS..  trans-135.8110.2-169.8-63.9178.8175.690.8-4.4110Y47 E54 P120R6-Y47 HydrophobicContact CB-CD1 3.52Å; R6-Y47 HydrophobicContact CB-CD2 4.42Å; R6-Y47 HydrophobicContact CB-CE1 3.73Å; R6-Y47 HydrophobicContact CB-CG 3.91Å; R6-Y47 HydrophobicContact CG-CD1 3.49Å; R6-Y47 VanDerWaalsContact CG-CD1 3.49Å; R6-Y47 HydrophobicContact CG-CE1 3.87Å; R6-Y47 HydrophobicContact CG-CG 4.22Å; R6-E54 IonicContact NH2-OE1 2.91Å; R6-E54 PolarHBondContact NH2-OE1 3.13Å; R6-E54 IonicContact NH2-OE2 3.28Å; R6-E54 PolarHBondContact NH2-OE2 3.15Å; R6-P120 HydrophobicContact CG-CB 4.2Å; R6-P120 HydrophobicContact CG-CG 4.25Å
7N81.8Confident76.8Confident78 Ų78109.1 Ų109.142%0.41755%0.551SS.*  trans-107.6116.4-177.8-78.7-26.5000110.4V4 E9 Y47V4-N7 WeakPolarHBondContact CG1-OD1 3.44Å; N7-E9 PolarHBondContact O-N 3.13Å; N7-Y47 PolarHBondContact N-OH 3.22Å; N7-Y47 WeakPolarHBondContact O-CE2 3.36Å; N7-Y47 VanDerWaalsContact O-CZ 3.31Å; N7-Y47 PolarHBondContact O-OH 2.78Å
8I87.1Confident77.2Confident68 Ų68105.8 Ų105.835%0.34953%0.534SS..  trans-74.5123.2179.5-46.4178.2000110.3Q40 L44 Y47I8-Q40 HydrophobicContact CB-CG 4.44Å; I8-Q40 HydrophobicContact CG2-CB 4.43Å; I8-Q40 HydrophobicContact CG2-CG 3.33Å; I8-Q40 WeakPolarHBondContact CG2-O 3.31Å; I8-L44 HydrophobicContact CD1-CD1 3.97Å; I8-L44 HydrophobicContact CG2-CB 4.48Å; I8-Y47 HydrophobicContact CG1-CD2 4.42Å
9E87.9Confident77.6Confident133 Ų133103.7 Ų103.762%0.62153%0.529SS*.SBendtrans-114.3140.9-179.8-64.9-169.5166.200112N7 Q40 S43N7-E9 PolarHBondContact O-N 3.13Å; E9-Q40 WeakPolarHBondContact O-CA 3.46Å; E9-S43 PolarHBondContact N-OG 3.28Å; E9-S43 VanDerWaalsContact N-OG 3.12Å; E9-S43 WeakPolarHBondContact O-CB 3.32Å
10P90.2Very high77.8Confident32 Ų32104.9 Ų104.921%0.20855%0.547CS..  cis-78.4139.7-1.530.3-33.5000112.9N36P10-N36 HydrophobicContact CG-CB 3.8Å
11R86.3Confident78.2Confident213 Ų213106.4 Ų106.480%0.80456%0.556SS**SBendtrans-69.1-33.9177.8-169.4175.4-174.4179.12.4113
12H89.5Confident80.3Confident100 Ų10098.3 Ų98.346%0.46352%0.516SS..  trans-108.4101.8178.9-57.3113.4000110R15H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.19Å
13V88.9Confident81.8Confident28 Ų28104.3 Ų104.317%0.1752%0.522CS..SBendtrans-72.7-38-174.8174.60000112.3S33 N36 I37V13-S33 VanDerWaalsContact CG1-O 3.24Å; V13-S33 WeakPolarHBondContact CG1-O 3.43Å; V13-N36 HydrophobicContact CB-CB 4.43Å; V13-N36 HydrophobicContact CG1-CB 3.98Å; V13-N36 PolarHBondContact O-ND2 3.43Å; V13-I37 HydrophobicContact CG1-CD1 4.24Å; V13-I37 HydrophobicContact CG1-CG1 3.61Å
14S85.9Confident83.2Confident74 Ų74100.4 Ų100.452%0.51751%0.505SS..SBendtrans-118.71.6-169.452.20000115Q16 S33S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 PolarHBondContact O-N 3.04Å; S14-S33 WeakPolarHBondContact CB-OG 3.25Å
15R84.2Confident84.3Confident198 Ų198101 Ų10175%0.74750%0.501SS*.  trans-91.438.8-173.7-58.2-171.9174.3-170.6-7.1114H12H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.19Å
16Q79.4Confident85.5Confident99 Ų99105 Ų10546%0.46352%0.52SS..PPolyproline II helixtrans-96.4143.5177.5-67.3-173.86.400111S14 I18 I32 N36S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 PolarHBondContact O-N 3.04Å; Q16-I18 PolarHBondContact O-N 2.89Å; Q16-I32 HydrophobicContact CB-CG2 4.31Å; Q16-I32 HydrophobicContact CG-CG2 4.32Å; Q16-N36 PolarHBondContact NE2-ND2 3.18Å
17T81.2Confident86.1Confident140 Ų140108.5 Ų108.586%0.85954%0.539SS*.PPolyproline II helixtrans-70127.8174.9-49.30000109.7
18I83.5Confident86.4Confident50 Ų50106.1 Ų106.126%0.25653%0.529SS..PPolyproline II helixtrans-85.8133.7179.2-52.5162000108.5Q16 S20 I22 E25 V29Q16-I18 PolarHBondContact O-N 2.89Å; I18-S20 PolarHBondContact O-N 3.48Å; I18-I22 HydrophobicContact CG2-CD1 3.66Å; I18-E25 HydrophobicContact CD1-CB 4.29Å; I18-E25 HydrophobicContact CG2-CG 4.41Å; I18-V29 HydrophobicContact CD1-CG2 3.11Å; I18-V29 HydrophobicContact CG1-CG2 3.59Å
19P84.6Confident86.6Confident67 Ų67104.9 Ų104.944%0.43552%0.524SS..PPolyproline II helixtrans-57.7134.5170-23.730.4000112.3N21 I22P19-N21 VanDerWaalsContact CB-OD1 3.27Å; P19-N21 WeakPolarHBondContact CB-OD1 3.3Å; P19-N21 PolarHBondContact O-N 3.49Å; P19-N21 VanDerWaalsContact O-N 3.12Å; P19-I22 HydrophobicContact CB-CD1 3.71Å; P19-I22 HydrophobicContact CB-CG1 4.09Å; P19-I22 VanDerWaalsContact CD-CD1 3.5Å; P19-I22 HydrophobicContact CG-CD1 3.74Å; P19-I22 WeakPolarHBondContact O-CD1 3.34Å; P19-I22 WeakPolarHBondContact O-CG1 3.45Å
20S81.2Confident86.8Confident126 Ų126101.8 Ų101.888%0.88151%0.514SS*.THydrogen-bonded Turntrans-71.5-3-176.347.70000115I18I18-S20 PolarHBondContact O-N 3.48Å
21N87.2Confident87Confident138 Ų138105.6 Ų105.674%0.73853%0.533SS*.THydrogen-bonded Turntrans-97.19.5-178.466.1-17.6000113.8P19P19-N21 VanDerWaalsContact CB-OD1 3.27Å; P19-N21 WeakPolarHBondContact CB-OD1 3.3Å; P19-N21 PolarHBondContact O-N 3.49Å; P19-N21 VanDerWaalsContact O-N 3.12Å
22I86.8Confident87.2Confident51 Ų5197.5 Ų97.526%0.26251%0.505SS..  trans-96.1132.1-172.5-56.9168.3000110.2I18 P19 C28I18-I22 HydrophobicContact CG2-CD1 3.66Å; P19-I22 HydrophobicContact CB-CD1 3.71Å; P19-I22 HydrophobicContact CB-CG1 4.09Å; P19-I22 VanDerWaalsContact CD-CD1 3.5Å; P19-I22 HydrophobicContact CG-CD1 3.74Å; P19-I22 WeakPolarHBondContact O-CD1 3.34Å; P19-I22 WeakPolarHBondContact O-CG1 3.45Å; I22-C28 HydrophobicContact CD1-CB 4.28Å; I22-C28 HydrophobicContact CG2-CB 4.22Å
23R83.5Confident87.4Confident257 Ų25793.7 Ų93.797%0.9749%0.49SS*.SBendtrans-74-35.9178.6-66.1-176.4-178.9171.10.1113.1
24S88.3Confident87.8Confident43 Ų4396.8 Ų96.830%0.30151%0.505SS..  trans-118.882.6-176.6-170.80000110.3L26 E27 C28S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.48Å; S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 WeakPolarHBondContact OG-CB 3.3Å; S24-E27 WeakPolarHBondContact OG-CG 3.41Å; S24-E27 PolarHBondContact OG-OE2 3.42Å; S24-C28 PolarHBondContact O-N 3.27Å
25E89.9Confident88.2Confident111 Ų11195.3 Ų95.352%0.51950%0.497SS..Hα-helixtrans-62.8-39-178.2-65.8-177.2-177.800112I18 C28 V29I18-E25 HydrophobicContact CD1-CB 4.29Å; I18-E25 HydrophobicContact CG2-CG 4.41Å; E25-C28 WeakPolarHBondContact O-CB 3.43Å; E25-C28 PolarHBondContact O-N 2.93Å; E25-V29 WeakPolarHBondContact O-CG2 3.39Å; E25-V29 PolarHBondContact O-N 3.34Å
26L90.1Very high88.7Confident134 Ų13486.3 Ų86.370%0.70246%0.464SS*.Hα-helixtrans-64.1-47.7-179.2-176.761.6000111.7S24 C28 V29 T30S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.48Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 2.85Å; L26-V29 PolarHBondContact O-N 3.21Å; L26-T30 WeakPolarHBondContact O-CB 3.32Å; L26-T30 PolarHBondContact O-N 3.43Å; L26-T30 PolarHBondContact O-OG1 3.22Å
27E90.4Very high89.5Confident138 Ų13884.9 Ų84.965%0.64546%0.459SS*.Hα-helixtrans-62.4-37.7177.1-70.2173.616100111.5S24 T30 N31S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 WeakPolarHBondContact OG-CB 3.3Å; S24-E27 WeakPolarHBondContact OG-CG 3.41Å; S24-E27 PolarHBondContact OG-OE2 3.42Å; E27-T30 PolarHBondContact O-N 3.27Å; E27-N31 VanDerWaalsContact O-CB 3.3Å; E27-N31 WeakPolarHBondContact O-CB 3.39Å; E27-N31 PolarHBondContact O-N 3.35Å
28C89.1Confident90.2Very high29 Ų2983.9 Ų83.920%0.19645%0.447CS..Hα-helixtrans-61.4-50.5174.9-176.70000111.7I22 S24 E25 L26 T30 N31 I32I22-C28 HydrophobicContact CD1-CB 4.28Å; I22-C28 HydrophobicContact CG2-CB 4.22Å; S24-C28 PolarHBondContact O-N 3.27Å; E25-C28 WeakPolarHBondContact O-CB 3.43Å; E25-C28 PolarHBondContact O-N 2.93Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 2.85Å; C28-T30 PolarHBondContact O-N 3.46Å; C28-N31 PolarHBondContact O-N 3.05Å; C28-I32 WeakPolarHBondContact O-CB 3.37Å; C28-I32 VanDerWaalsContact O-CG1 3.29Å; C28-I32 WeakPolarHBondContact O-CG1 3.34Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact SG-CD1 3.58Å
29V91.5Very high90.8Very high41 Ų4189.9 Ų89.925%0.24847%0.466CS..Hα-helixtrans-62.2-43.6178.3174.20000111.4I18 E25 L26 N31 I32 S33I18-V29 HydrophobicContact CD1-CG2 3.11Å; I18-V29 HydrophobicContact CG1-CG2 3.59Å; E25-V29 WeakPolarHBondContact O-CG2 3.39Å; E25-V29 PolarHBondContact O-N 3.34Å; L26-V29 PolarHBondContact O-N 3.21Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 3.44Å; V29-I32 PolarHBondContact O-N 3.2Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.18Å; V29-S33 PolarHBondContact O-OG 3.1Å
30T92.1Very high91.3Very high68 Ų6889.7 Ų89.742%0.41746%0.46SS..Hα-helixtrans-61.5-45.1178.3-61.70000110.5L26 E27 C28 S33 L34L26-T30 WeakPolarHBondContact O-CB 3.32Å; L26-T30 PolarHBondContact O-N 3.43Å; L26-T30 PolarHBondContact O-OG1 3.22Å; E27-T30 PolarHBondContact O-N 3.27Å; C28-T30 PolarHBondContact O-N 3.46Å; T30-S33 PolarHBondContact O-N 3.3Å; T30-L34 HydrophobicContact CG2-CD1 4.11Å; T30-L34 HydrophobicContact CG2-CG 4.5Å; T30-L34 WeakPolarHBondContact O-CB 3.41Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.43Å; T30-L34 PolarHBondContact O-N 3.44Å
31N92.8Very high92Very high113 Ų11388.3 Ų88.360%0.60444%0.442SS*.Hα-helixtrans-66.3-44.1178.9-167.720.5000112.3E27 C28 V29 S33 L34 A35E27-N31 VanDerWaalsContact O-CB 3.3Å; E27-N31 WeakPolarHBondContact O-CB 3.39Å; E27-N31 PolarHBondContact O-N 3.35Å; C28-N31 PolarHBondContact O-N 3.05Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 3.44Å; N31-S33 VanDerWaalsContact C-N 3.31Å; N31-S33 PolarHBondContact O-N 3.16Å; N31-L34 PolarHBondContact O-N 3.3Å; N31-A35 WeakPolarHBondContact O-CB 3.35Å; N31-A35 PolarHBondContact O-N 3.41Å
32I91.7Very high92.4Very high43 Ų4383.7 Ų83.722%0.22143%0.427CS..Hα-helixtrans-59.9-43.7174.2-71.3169.7000110.8Q16 C28 V29 A35 N36Q16-I32 HydrophobicContact CB-CG2 4.31Å; Q16-I32 HydrophobicContact CG-CG2 4.32Å; C28-I32 WeakPolarHBondContact O-CB 3.37Å; C28-I32 VanDerWaalsContact O-CG1 3.29Å; C28-I32 WeakPolarHBondContact O-CG1 3.34Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact SG-CD1 3.58Å; V29-I32 PolarHBondContact O-N 3.2Å; I32-A35 PolarHBondContact O-N 3.22Å; I32-N36 WeakPolarHBondContact O-CB 3.4Å; I32-N36 VanDerWaalsContact O-CG 3.28Å; I32-N36 PolarHBondContact O-N 3.04Å; I32-N36 PolarHBondContact O-ND2 3.07Å
33S94.1Very high92.7Very high20 Ų2082.3 Ų82.314%0.1442%0.422CS..Hα-helixtrans-63.7-45.7178.9-600000111V13 S14 V29 T30 N31 N36 I37V13-S33 VanDerWaalsContact CG1-O 3.24Å; V13-S33 WeakPolarHBondContact CG1-O 3.43Å; S14-S33 WeakPolarHBondContact CB-OG 3.25Å; V29-S33 WeakPolarHBondContact O-CB 3.26Å; V29-S33 PolarHBondContact O-N 3.18Å; V29-S33 PolarHBondContact O-OG 3.1Å; T30-S33 PolarHBondContact O-N 3.3Å; N31-S33 VanDerWaalsContact C-N 3.31Å; N31-S33 PolarHBondContact O-N 3.16Å; S33-N36 PolarHBondContact O-N 3.35Å; S33-I37 WeakPolarHBondContact O-CG1 3.49Å; S33-I37 PolarHBondContact O-N 3.27Å
34L95.5Very high93.2Very high93 Ų9374 Ų7449%0.48740%0.396SS..Hα-helixtrans-61.8-44.3175.5-72.1172.2000111.8T30 N31 N36 I37 I38T30-L34 HydrophobicContact CG2-CD1 4.11Å; T30-L34 HydrophobicContact CG2-CG 4.5Å; T30-L34 WeakPolarHBondContact O-CB 3.41Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.43Å; T30-L34 PolarHBondContact O-N 3.44Å; N31-L34 PolarHBondContact O-N 3.3Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 3.17Å; L34-I37 HydrophobicContact CD2-CD1 4.47Å; L34-I37 PolarHBondContact O-N 2.95Å; L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 3.12Å
35A94.8Very high93.6Very high43 Ų4375.6 Ų75.636%0.35541%0.408SS..Hα-helixtrans-59.5-41.6174.900000111.7N31 I32 I38 R39N31-A35 WeakPolarHBondContact O-CB 3.35Å; N31-A35 PolarHBondContact O-N 3.41Å; I32-A35 PolarHBondContact O-N 3.22Å; A35-I38 PolarHBondContact O-N 3.46Å; A35-R39 WeakPolarHBondContact O-CG 3.43Å; A35-R39 PolarHBondContact O-N 3.45Å
36N95.1Very high93.7Very high8 Ų875.1 Ų75.14%0.04340%0.404CS..Hα-helixtrans-68.8-34.8176.6-74.2-27.1000112.8P10 V13 Q16 I32 S33 L34 I38 R39 Q40P10-N36 HydrophobicContact CG-CB 3.8Å; V13-N36 HydrophobicContact CB-CB 4.43Å; V13-N36 HydrophobicContact CG1-CB 3.98Å; V13-N36 PolarHBondContact O-ND2 3.43Å; Q16-N36 PolarHBondContact NE2-ND2 3.18Å; I32-N36 WeakPolarHBondContact O-CB 3.4Å; I32-N36 VanDerWaalsContact O-CG 3.28Å; I32-N36 PolarHBondContact O-N 3.04Å; I32-N36 PolarHBondContact O-ND2 3.07Å; S33-N36 PolarHBondContact O-N 3.35Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 3.17Å; N36-I38 VanDerWaalsContact C-N 3.34Å; N36-R39 PolarHBondContact O-N 2.86Å; N36-Q40 WeakPolarHBondContact O-CB 3.41Å; N36-Q40 PolarHBondContact O-N 3.11Å
37I96.1Very high93.7Very high70 Ų7070.7 Ų70.736%0.35938%0.378SS..Hα-helixtrans-61.4-44.8170.8-69.2166.5000110V13 S33 L34 R39 Q40 L41V13-I37 HydrophobicContact CG1-CD1 4.24Å; V13-I37 HydrophobicContact CG1-CG1 3.61Å; S33-I37 WeakPolarHBondContact O-CG1 3.49Å; S33-I37 PolarHBondContact O-N 3.27Å; L34-I37 HydrophobicContact CD2-CD1 4.47Å; L34-I37 PolarHBondContact O-N 2.95Å; I37-R39 VanDerWaalsContact C-N 3.32Å; I37-R39 PolarHBondContact O-N 3.49Å; I37-Q40 WeakPolarHBondContact O-CB 3.41Å; I37-Q40 PolarHBondContact O-N 3.42Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 4.25Å; I37-L41 HydrophobicContact CG2-CG 4.47Å; I37-L41 WeakPolarHBondContact O-CG 3.41Å; I37-L41 PolarHBondContact O-N 3.28Å
38I96.1Very high93.8Very high119 Ų11966 Ų6661%0.6136%0.362SS*.Hα-helixtrans-61.2-42.9177.5-65.5165.4000110.6L34 A35 N36 Q40 L41 G42L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 3.12Å; A35-I38 PolarHBondContact O-N 3.46Å; N36-I38 VanDerWaalsContact C-N 3.34Å; I38-Q40 VanDerWaalsContact C-N 3.31Å; I38-Q40 PolarHBondContact O-N 2.8Å; I38-L41 PolarHBondContact O-N 3.3Å; I38-G42 PolarHBondContact O-N 3.05Å
39R95.1Very high94Very high176 Ų17671.3 Ų71.366%0.66439%0.385SS*.Hα-helixtrans-61.8-40.6174.3-66.9172.987.4141.67111.8A35 N36 I37 G42 S43A35-R39 WeakPolarHBondContact O-CG 3.43Å; A35-R39 PolarHBondContact O-N 3.45Å; N36-R39 PolarHBondContact O-N 2.86Å; I37-R39 VanDerWaalsContact C-N 3.32Å; I37-R39 PolarHBondContact O-N 3.49Å; R39-G42 PolarHBondContact O-N 2.65Å; R39-S43 PolarHBondContact O-N 2.99Å
40Q95.3Very high94Very high62 Ų6271.3 Ų71.329%0.2938%0.383SS..Hα-helixtrans-62.9-42.1177.2-163.8178.843.100111.8I8 E9 N36 I37 I38 G42 S43 L44I8-Q40 HydrophobicContact CB-CG 4.44Å; I8-Q40 HydrophobicContact CG2-CB 4.43Å; I8-Q40 HydrophobicContact CG2-CG 3.33Å; I8-Q40 WeakPolarHBondContact CG2-O 3.31Å; E9-Q40 WeakPolarHBondContact O-CA 3.46Å; N36-Q40 WeakPolarHBondContact O-CB 3.41Å; N36-Q40 PolarHBondContact O-N 3.11Å; I37-Q40 WeakPolarHBondContact O-CB 3.41Å; I37-Q40 PolarHBondContact O-N 3.42Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; I38-Q40 VanDerWaalsContact C-N 3.31Å; I38-Q40 PolarHBondContact O-N 2.8Å; Q40-G42 VanDerWaalsContact C-N 3.33Å; Q40-S43 PolarHBondContact O-N 3.42Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.31Å
41L96.2Very high94Very high97 Ų9770.6 Ų70.651%0.50838%0.379SS..Hα-helixtrans-64.8-36.1173.4-69.3173.7000112.1I37 I38 L44 S45I37-L41 HydrophobicContact CG2-CD1 4.25Å; I37-L41 HydrophobicContact CG2-CG 4.47Å; I37-L41 WeakPolarHBondContact O-CG 3.41Å; I37-L41 PolarHBondContact O-N 3.28Å; I38-L41 PolarHBondContact O-N 3.3Å; L41-L44 HydrophobicContact CD2-CD2 4.47Å; L41-L44 PolarHBondContact O-N 3.04Å; L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.13Å; L41-S45 PolarHBondContact O-OG 3Å
42G96Very high94.2Very high42 Ų4272.1 Ų72.143%0.43338%0.38SS..Hα-helixtrans-62.9-46.9172.100000112.4I38 R39 Q40 L44 S45 K46I38-G42 PolarHBondContact O-N 3.05Å; R39-G42 PolarHBondContact O-N 2.65Å; Q40-G42 VanDerWaalsContact C-N 3.33Å; G42-L44 PolarHBondContact O-N 3.33Å; G42-S45 WeakPolarHBondContact O-CB 3.37Å; G42-S45 PolarHBondContact O-N 3.2Å; G42-K46 PolarHBondContact O-N 3.5Å
43S93.4Very high94.3Very high21 Ų2171.6 Ų71.615%0.14739%0.385CS..Hα-helixtrans-59.7-44.6174.3176.40000111.7E9 R39 Q40 S45 K46 Y47E9-S43 PolarHBondContact N-OG 3.28Å; E9-S43 VanDerWaalsContact N-OG 3.12Å; E9-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 2.99Å; Q40-S43 PolarHBondContact O-N 3.42Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 2.92Å; S43-K46 WeakPolarHBondContact O-CB 3.19Å; S43-K46 PolarHBondContact O-N 3.48Å; S43-Y47 WeakPolarHBondContact O-CD2 3.28Å; S43-Y47 PolarHBondContact O-N 3.17Å; S43-Y47 VanDerWaalsContact O-N 3.12Å; S43-Y47 VanDerWaalsContact OG-CE2 3.26Å; S43-Y47 WeakPolarHBondContact OG-CE2 3.49Å
44L94.3Very high94.3Very high83 Ų8374.5 Ų74.544%0.43540%0.397SS..Hα-helixtrans-59.7-41.5174.6177.862.3000112.3I8 Q40 L41 G42 Y47 A48I8-L44 HydrophobicContact CD1-CD1 3.97Å; I8-L44 HydrophobicContact CG2-CB 4.48Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.31Å; L41-L44 HydrophobicContact CD2-CD2 4.47Å; L41-L44 PolarHBondContact O-N 3.04Å; G42-L44 PolarHBondContact O-N 3.33Å; L44-Y47 PolarHBondContact O-N 3.31Å; L44-A48 PolarHBondContact O-N 3.33Å
45S95.8Very high94.3Very high77 Ų7774.5 Ų74.554%0.53840%0.397SS..Hα-helixtrans-64-42.3178.8-57.90000111.7L41 G42 S43 Y47 A48 E49L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.13Å; L41-S45 PolarHBondContact O-OG 3Å; G42-S45 WeakPolarHBondContact O-CB 3.37Å; G42-S45 PolarHBondContact O-N 3.2Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 2.92Å; S45-Y47 VanDerWaalsContact C-N 3.32Å; S45-Y47 PolarHBondContact O-N 3.01Å; S45-A48 PolarHBondContact O-N 2.89Å; S45-E49 PolarHBondContact O-N 3.4Å
46K91.6Very high94.5Very high101 Ų10179.6 Ų79.644%0.43941%0.411SS..Hα-helixtrans-56.9-45.7172.2-177.6-172.1171.9-171.70111.1G42 S43 A48 E49 D50 D123G42-K46 PolarHBondContact O-N 3.5Å; S43-K46 WeakPolarHBondContact O-CB 3.19Å; S43-K46 PolarHBondContact O-N 3.48Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-A48 PolarHBondContact O-N 3.37Å; K46-E49 WeakPolarHBondContact O-CB 3.27Å; K46-E49 PolarHBondContact O-N 2.98Å; K46-D50 PolarHBondContact O-N 2.87Å; K46-D123 IonicContact NZ-OD2 3.02Å
47Y90.5Very high94.5Very high41 Ų4184.9 Ų84.916%0.16144%0.438CS..Hα-helixtrans-67.9-33.8179.5-70.3-53.2000113.8R6 N7 I8 S43 L44 S45 D50 V51R6-Y47 HydrophobicContact CB-CD1 3.52Å; R6-Y47 HydrophobicContact CB-CD2 4.42Å; R6-Y47 HydrophobicContact CB-CE1 3.73Å; R6-Y47 HydrophobicContact CB-CG 3.91Å; R6-Y47 HydrophobicContact CG-CD1 3.49Å; R6-Y47 VanDerWaalsContact CG-CD1 3.49Å; R6-Y47 HydrophobicContact CG-CE1 3.87Å; R6-Y47 HydrophobicContact CG-CG 4.22Å; N7-Y47 PolarHBondContact N-OH 3.22Å; N7-Y47 WeakPolarHBondContact O-CE2 3.36Å; N7-Y47 VanDerWaalsContact O-CZ 3.31Å; N7-Y47 PolarHBondContact O-OH 2.78Å; I8-Y47 HydrophobicContact CG1-CD2 4.42Å; S43-Y47 WeakPolarHBondContact O-CD2 3.28Å; S43-Y47 PolarHBondContact O-N 3.17Å; S43-Y47 VanDerWaalsContact O-N 3.12Å; S43-Y47 VanDerWaalsContact OG-CE2 3.26Å; S43-Y47 WeakPolarHBondContact OG-CE2 3.49Å; L44-Y47 PolarHBondContact O-N 3.31Å; S45-Y47 VanDerWaalsContact C-N 3.32Å; S45-Y47 PolarHBondContact O-N 3.01Å; Y47-D50 PolarHBondContact O-N 3.41Å; Y47-V51 WeakPolarHBondContact O-CG2 3.27Å; Y47-V51 PolarHBondContact O-N 2.9Å; Y47-V51 VanDerWaalsContact O-N 3.1Å
48A93.6Very high94.6Very high38 Ų3888 Ų8831%0.31445%0.451SS..Hα-helixtrans-63.6-44.4172.800000110.7L44 S45 K46 D50 V51 F52L44-A48 PolarHBondContact O-N 3.33Å; S45-A48 PolarHBondContact O-N 2.89Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-A48 PolarHBondContact O-N 3.37Å; A48-D50 PolarHBondContact O-N 3.09Å; A48-V51 PolarHBondContact O-N 3.41Å; A48-F52 HydrophobicContact CB-CD2 4.39Å; A48-F52 HydrophobicContact CB-CE2 4.31Å; A48-F52 WeakPolarHBondContact O-CD2 3.22Å; A48-F52 PolarHBondContact O-N 3.17Å
49E93.5Very high94.7Very high142 Ų14284.9 Ų84.966%0.66444%0.444SS*.Hα-helixtrans-56.6-47.5173.9-176.2-176.6174.400111.6S45 K46 V51 F52 G53S45-E49 PolarHBondContact O-N 3.4Å; K46-E49 WeakPolarHBondContact O-CB 3.27Å; K46-E49 PolarHBondContact O-N 2.98Å; E49-V51 PolarHBondContact O-N 2.82Å; E49-F52 PolarHBondContact O-N 2.9Å; E49-G53 WeakPolarHBondContact O-CA 3.45Å; E49-G53 PolarHBondContact O-N 3.25Å
50D90.8Very high94.8Very high40 Ų4078 Ų7821%0.21443%0.427CS..Hα-helixtrans-58.7-45.3178.2-67.6-21.9000112K46 Y47 A48 G53 E54K46-D50 PolarHBondContact O-N 2.87Å; Y47-D50 PolarHBondContact O-N 3.41Å; A48-D50 PolarHBondContact O-N 3.09Å; D50-G53 PolarHBondContact O-N 3.35Å; D50-E54 WeakPolarHBondContact O-CG 3.36Å; D50-E54 PolarHBondContact O-N 3.09Å
51V92.3Very high95Very high54 Ų5477.7 Ų77.733%0.32744%0.435SS..Hα-helixtrans-65.4-48.8-179.91710000111.1Y47 A48 E49 G53 E54 L55Y47-V51 WeakPolarHBondContact O-CG2 3.27Å; Y47-V51 PolarHBondContact O-N 2.9Å; Y47-V51 VanDerWaalsContact O-N 3.1Å; A48-V51 PolarHBondContact O-N 3.41Å; E49-V51 PolarHBondContact O-N 2.82Å; V51-G53 VanDerWaalsContact C-N 3.3Å; V51-G53 PolarHBondContact O-N 3.06Å; V51-E54 PolarHBondContact O-N 3.34Å; V51-L55 HydrophobicContact CG1-CD1 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.22Å; V51-L55 VanDerWaalsContact O-N 3.1Å
52F95.9Very high95.1Very high145 Ų14579.1 Ų79.164%0.63644%0.437SS*.Hα-helixtrans-68.2-32.4179.4-70.2-57.5000112A48 E49 L55 F56A48-F52 HydrophobicContact CB-CD2 4.39Å; A48-F52 HydrophobicContact CB-CE2 4.31Å; A48-F52 WeakPolarHBondContact O-CD2 3.22Å; A48-F52 PolarHBondContact O-N 3.17Å; E49-F52 PolarHBondContact O-N 2.9Å; F52-L55 HydrophobicContact CD1-CD1 4.47Å; F52-F56 VanDerWaalsContact O-CB 3.22Å; F52-F56 WeakPolarHBondContact O-CB 3.47Å; F52-F56 PolarHBondContact O-N 3.49Å
53G94.9Very high95.2Very high32 Ų3279.2 Ų79.233%0.3343%0.434SS..Hα-helixtrans-62.3-49.9172.900000112.1E49 D50 V51 L55 F56 I57E49-G53 WeakPolarHBondContact O-CA 3.45Å; E49-G53 PolarHBondContact O-N 3.25Å; D50-G53 PolarHBondContact O-N 3.35Å; V51-G53 VanDerWaalsContact C-N 3.3Å; V51-G53 PolarHBondContact O-N 3.06Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.27Å; G53-F56 PolarHBondContact O-N 3.05Å; G53-I57 WeakPolarHBondContact O-CG1 3.28Å; G53-I57 PolarHBondContact O-N 2.83Å
54E93.1Very high95.4Very high81 Ų8182.5 Ų82.538%0.37945%0.453SS..Hα-helixtrans-57.7-46.1176.2-76.4172.4-173.200111.7R6 D50 V51 I57 Q58R6-E54 IonicContact NH2-OE1 2.91Å; R6-E54 PolarHBondContact NH2-OE1 3.13Å; R6-E54 IonicContact NH2-OE2 3.28Å; R6-E54 PolarHBondContact NH2-OE2 3.15Å; D50-E54 WeakPolarHBondContact O-CG 3.36Å; D50-E54 PolarHBondContact O-N 3.09Å; V51-E54 PolarHBondContact O-N 3.34Å; E54-I57 PolarHBondContact O-N 3.02Å; E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 3.05Å; E54-Q58 VanDerWaalsContact O-N 3.15Å
55L96.5Very high95.6Very high93 Ų9387.1 Ų87.149%0.48747%0.465SS..Hα-helixtrans-63.9-40.9177.2-69.3174.3000112.2V51 F52 G53 Q58 A59V51-L55 HydrophobicContact CG1-CD1 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.22Å; V51-L55 VanDerWaalsContact O-N 3.1Å; F52-L55 HydrophobicContact CD1-CD1 4.47Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.27Å; L55-Q58 PolarHBondContact O-N 3.35Å; L55-A59 VanDerWaalsContact O-CB 3.27Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.09Å
56F97.8Very high95.8Very high149 Ų14986.6 Ų86.665%0.65446%0.458SS*.Hα-helixtrans-62.6-44.8178.4176-96.9000111.7F52 G53 Q58 A59 G60F52-F56 VanDerWaalsContact O-CB 3.22Å; F52-F56 WeakPolarHBondContact O-CB 3.47Å; F52-F56 PolarHBondContact O-N 3.49Å; G53-F56 PolarHBondContact O-N 3.05Å; F56-Q58 PolarHBondContact O-N 3.44Å; F56-A59 PolarHBondContact O-N 2.92Å; F56-G60 PolarHBondContact O-N 3.19Å
57I96.3Very high96.1Very high119 Ų11986.8 Ų86.861%0.6146%0.464SS*.Hα-helixtrans-61.4-44.8177.5-65-62.1000110.8G53 E54 G60 A61G53-I57 WeakPolarHBondContact O-CG1 3.28Å; G53-I57 PolarHBondContact O-N 2.83Å; E54-I57 PolarHBondContact O-N 3.02Å; I57-G60 PolarHBondContact O-N 3.37Å; I57-A61 PolarHBondContact O-N 3.38Å
58Q97Very high96.5Very high135 Ų13588.3 Ų88.363%0.63148%0.478SS*.Hα-helixtrans-64.2-44.2177.3-70.4-177.2-4.600112.2E54 L55 F56 A61 F62E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 3.05Å; E54-Q58 VanDerWaalsContact O-N 3.15Å; L55-Q58 PolarHBondContact O-N 3.35Å; F56-Q58 PolarHBondContact O-N 3.44Å; Q58-A61 PolarHBondContact O-N 2.82Å; Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 3Å
59A98.4Very high96.7Very high55 Ų5591.1 Ų91.146%0.45549%0.487SS..Hα-helixtrans-64.1-39.417700000111.9L55 F56 F62 A63L55-A59 VanDerWaalsContact O-CB 3.27Å; L55-A59 WeakPolarHBondContact O-CB 3.33Å; L55-A59 PolarHBondContact O-N 3.09Å; F56-A59 PolarHBondContact O-N 2.92Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.34Å; A59-A63 WeakPolarHBondContact O-CB 3.45Å; A59-A63 PolarHBondContact O-N 3.39Å
60G98.4Very high97Very high30 Ų3085.8 Ų85.831%0.30947%0.47SS..Hα-helixtrans-64.6-43175.800000112.7F56 I57 F62 A63 T64F56-G60 PolarHBondContact O-N 3.19Å; I57-G60 PolarHBondContact O-N 3.37Å; G60-F62 VanDerWaalsContact C-N 3.33Å; G60-F62 PolarHBondContact O-N 3.34Å; G60-A63 PolarHBondContact O-N 3.49Å; G60-T64 PolarHBondContact O-N 3.39Å; G60-T64 PolarHBondContact O-OG1 3.29Å
61A98.3Very high97.3Very high56 Ų5689.1 Ų89.146%0.46348%0.484SS..Hα-helixtrans-62.5-41173.300000111.6I57 Q58 R65I57-A61 PolarHBondContact O-N 3.38Å; Q58-A61 PolarHBondContact O-N 2.82Å; A61-R65 WeakPolarHBondContact O-CG 3.49Å; A61-R65 PolarHBondContact O-N 2.94Å; A61-R65 VanDerWaalsContact O-N 3.17Å
62F98.4Very high97.6Very high128 Ų12893.9 Ų93.956%0.56150%0.497SS*.Hα-helixtrans-63.4-47.2174.8177.5-108000112.2Q58 A59 G60 T64 R65 V66Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 3Å; A59-F62 WeakPolarHBondContact O-CB 3.28Å; A59-F62 PolarHBondContact O-N 3.34Å; G60-F62 VanDerWaalsContact C-N 3.33Å; G60-F62 PolarHBondContact O-N 3.34Å; F62-T64 VanDerWaalsContact C-N 3.31Å; F62-T64 PolarHBondContact O-N 2.81Å; F62-R65 WeakPolarHBondContact O-CB 3.4Å; F62-R65 PolarHBondContact O-N 3.09Å; F62-R65 VanDerWaalsContact O-N 3.09Å; F62-V66 HydrophobicContact CD1-CG2 4.1Å; F62-V66 HydrophobicContact CD2-CG2 4.19Å; F62-V66 HydrophobicContact CE1-CG2 3.66Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CG-CG2 4.36Å; F62-V66 HydrophobicContact CZ-CG2 3.46Å; F62-V66 VanDerWaalsContact CZ-CG2 3.46Å; F62-V66 WeakPolarHBondContact O-CG2 3.5Å; F62-V66 PolarHBondContact O-N 3.29Å
63A98.5Very high97.8Very high44 Ų4490.7 Ų90.736%0.36449%0.489SS..Hα-helixtrans-57.9-43.4178.400000111.8A59 G60 R65 V66 N67A59-A63 WeakPolarHBondContact O-CB 3.45Å; A59-A63 PolarHBondContact O-N 3.39Å; G60-A63 PolarHBondContact O-N 3.49Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 3.02Å; A63-V66 PolarHBondContact O-N 3.33Å; A63-N67 VanDerWaalsContact O-CG 3.27Å; A63-N67 PolarHBondContact O-N 2.85Å; A63-N67 PolarHBondContact O-ND2 3.47Å
64T98.6Very high97.9Very high89 Ų8994.2 Ų94.255%0.54650%0.5SS..Hα-helixtrans-60.5-42.5176-55.80000111.8G60 F62 T68G60-T64 PolarHBondContact O-N 3.39Å; G60-T64 PolarHBondContact O-OG1 3.29Å; F62-T64 VanDerWaalsContact C-N 3.31Å; F62-T64 PolarHBondContact O-N 2.81Å; T64-T68 WeakPolarHBondContact O-CB 3.35Å; T64-T68 PolarHBondContact O-N 3.38Å; T64-T68 PolarHBondContact O-OG1 3Å
65R98.4Very high98.1Very high181 Ų18196.6 Ų96.668%0.68351%0.505SS*.Hα-helixtrans-65.6-41.5176.5-72.1169.859.5-164.2-1.9112A61 F62 A63 T68 L69A61-R65 WeakPolarHBondContact O-CG 3.49Å; A61-R65 PolarHBondContact O-N 2.94Å; A61-R65 VanDerWaalsContact O-N 3.17Å; F62-R65 WeakPolarHBondContact O-CB 3.4Å; F62-R65 PolarHBondContact O-N 3.09Å; F62-R65 VanDerWaalsContact O-N 3.09Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 3.02Å; R65-T68 PolarHBondContact O-N 3.15Å; R65-L69 VanDerWaalsContact O-CB 3.27Å; R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.36Å
66V98.7Very high98.2Very high66 Ų6697.1 Ų97.140%0.451%0.508SS..Hα-helixtrans-63.9-45.5177.4170.70000110.7F62 A63 T68 L69 G70F62-V66 HydrophobicContact CD1-CG2 4.1Å; F62-V66 HydrophobicContact CD2-CG2 4.19Å; F62-V66 HydrophobicContact CE1-CG2 3.66Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CG-CG2 4.36Å; F62-V66 HydrophobicContact CZ-CG2 3.46Å; F62-V66 VanDerWaalsContact CZ-CG2 3.46Å; F62-V66 WeakPolarHBondContact O-CG2 3.5Å; F62-V66 PolarHBondContact O-N 3.29Å; A63-V66 PolarHBondContact O-N 3.33Å; V66-T68 PolarHBondContact O-N 3.44Å; V66-L69 PolarHBondContact O-N 2.86Å; V66-G70 PolarHBondContact O-N 3.21Å
67N98.5Very high98.2Very high104 Ų10495.7 Ų95.756%0.55650%0.503SS*.Hα-helixtrans-60.7-48.4176.9-69.5-19.8000111.2A63 L69 G70 E71A63-N67 VanDerWaalsContact O-CG 3.27Å; A63-N67 PolarHBondContact O-N 2.85Å; A63-N67 PolarHBondContact O-ND2 3.47Å; N67-L69 VanDerWaalsContact C-N 3.26Å; N67-L69 PolarHBondContact O-N 3.35Å; N67-G70 PolarHBondContact O-N 2.86Å; N67-E71 PolarHBondContact O-N 3.04Å
68T98.6Very high98.3Very high73 Ų7393.6 Ų93.645%0.44850%0.496SS..Hα-helixtrans-59.5-38.9177.2-560000111.8T64 R65 V66 R72T64-T68 WeakPolarHBondContact O-CB 3.35Å; T64-T68 PolarHBondContact O-N 3.38Å; T64-T68 PolarHBondContact O-OG1 3Å; R65-T68 PolarHBondContact O-N 3.15Å; V66-T68 PolarHBondContact O-N 3.44Å; T68-R72 VanDerWaalsContact O-CG 3.25Å; T68-R72 WeakPolarHBondContact O-CG 3.45Å; T68-R72 PolarHBondContact O-N 3.44Å
69L98.6Very high98.2Very high98 Ų9894.1 Ų94.151%0.51350%0.496SS..Hα-helixtrans-70.2-42.8177-178.461.1000111.5R65 V66 N67 R72 V73R65-L69 VanDerWaalsContact O-CB 3.27Å; R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.36Å; V66-L69 PolarHBondContact O-N 2.86Å; N67-L69 VanDerWaalsContact C-N 3.26Å; N67-L69 PolarHBondContact O-N 3.35Å; L69-R72 WeakPolarHBondContact O-CB 3.38Å; L69-R72 PolarHBondContact O-N 3.45Å; L69-R72 VanDerWaalsContact O-N 3.13Å; L69-V73 HydrophobicContact CD1-CG2 4.38Å; L69-V73 HydrophobicContact CG-CG2 4.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 2.76Å
70G98.4Very high98.1Very high30 Ų3095.3 Ų95.331%0.30950%0.498SS..Hα-helixtrans-56.1-52.6177.700000111.5V66 N67 R72 V73 D74V66-G70 PolarHBondContact O-N 3.21Å; N67-G70 PolarHBondContact O-N 2.86Å; G70-R72 PolarHBondContact O-N 3.39Å; G70-V73 WeakPolarHBondContact O-CA 3.5Å; G70-V73 WeakPolarHBondContact O-CB 3.32Å; G70-V73 PolarHBondContact O-N 3.39Å; G70-D74 PolarHBondContact O-N 2.97Å
71E98.4Very high98Very high109 Ų10998.5 Ų98.551%0.50951%0.512SS..Hα-helixtrans-60.4-34.4177.3-63.5179.1-171.500113N67 R75N67-E71 PolarHBondContact O-N 3.04Å; E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.47Å; E71-R75 VanDerWaalsContact O-N 3.1Å; E71-R75 IonicContact OE2-NH1 3.27Å; E71-R75 PolarHBondContact OE2-NH1 3.2Å
72R98.4Very high97.7Very high155 Ų155102.9 Ų102.959%0.58552%0.523SS*.Hα-helixtrans-68.3-39.1175.8-75.6174.765.4-167.7-0.8111.4T68 L69 G70 L76T68-R72 VanDerWaalsContact O-CG 3.25Å; T68-R72 WeakPolarHBondContact O-CG 3.45Å; T68-R72 PolarHBondContact O-N 3.44Å; L69-R72 WeakPolarHBondContact O-CB 3.38Å; L69-R72 PolarHBondContact O-N 3.45Å; L69-R72 VanDerWaalsContact O-N 3.13Å; G70-R72 PolarHBondContact O-N 3.39Å; R72-L76 VanDerWaalsContact O-CB 3.26Å; R72-L76 WeakPolarHBondContact O-CB 3.44Å; R72-L76 PolarHBondContact O-N 3.1Å
73V98.6Very high97.4Very high78 Ų78101.7 Ų101.747%0.47352%0.521SS..Hα-helixtrans-64.3-45.2175.7170.40000110L69 G70 R75 L76 Q77L69-V73 HydrophobicContact CD1-CG2 4.38Å; L69-V73 HydrophobicContact CG-CG2 4.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 2.76Å; G70-V73 WeakPolarHBondContact O-CA 3.5Å; G70-V73 WeakPolarHBondContact O-CB 3.32Å; G70-V73 PolarHBondContact O-N 3.39Å; V73-R75 PolarHBondContact O-N 3.46Å; V73-L76 CarbonylContact O-C 3.6Å; V73-L76 PolarHBondContact O-N 2.82Å; V73-L76 VanDerWaalsContact O-N 3.12Å; V73-Q77 WeakPolarHBondContact O-CB 3.5Å; V73-Q77 PolarHBondContact O-N 3.48Å
74D98.3Very high97.1Very high106 Ų106103.1 Ų103.157%0.56752%0.523SS*.Hα-helixtrans-60.8-46.8178.7-65.1-26.5000111.8G70 L76 Q77 V78G70-D74 PolarHBondContact O-N 2.97Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.23Å; D74-Q77 WeakPolarHBondContact O-CB 3.5Å; D74-Q77 PolarHBondContact O-N 3.41Å; D74-V78 PolarHBondContact O-N 3.42Å
75R98Very high96.4Very high130 Ų130104.3 Ų104.349%0.49153%0.532SS..Hα-helixtrans-63.5-36.5175.6-70.1-171.5-60.7-95.43.9112.3E71 V73 K79E71-R75 WeakPolarHBondContact O-CG 3.4Å; E71-R75 PolarHBondContact O-N 3.47Å; E71-R75 VanDerWaalsContact O-N 3.1Å; E71-R75 IonicContact OE2-NH1 3.27Å; E71-R75 PolarHBondContact OE2-NH1 3.2Å; V73-R75 PolarHBondContact O-N 3.46Å; R75-K79 WeakPolarHBondContact O-CG 3.48Å; R75-K79 PolarHBondContact O-N 2.94Å
76L98.1Very high95.8Very high104 Ų104105.1 Ų105.155%0.54554%0.54SS..Hα-helixtrans-69.2-40.7177.3-177.361.9000111.1R72 V73 D74 V78 K79 V80R72-L76 VanDerWaalsContact O-CB 3.26Å; R72-L76 WeakPolarHBondContact O-CB 3.44Å; R72-L76 PolarHBondContact O-N 3.1Å; V73-L76 CarbonylContact O-C 3.6Å; V73-L76 PolarHBondContact O-N 2.82Å; V73-L76 VanDerWaalsContact O-N 3.12Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.23Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 2.95Å; L76-K79 PolarHBondContact O-N 3.47Å; L76-K79 VanDerWaalsContact O-N 3.11Å; L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.19Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.07Å
77Q98Very high95.1Very high119 Ų119109.4 Ų109.456%0.55656%0.556SS**Hα-helixtrans-57.9-45.7177.5-176.86418.400111.4V73 D74 K79 V80 T81V73-Q77 WeakPolarHBondContact O-CB 3.5Å; V73-Q77 PolarHBondContact O-N 3.48Å; D74-Q77 WeakPolarHBondContact O-CB 3.5Å; D74-Q77 PolarHBondContact O-N 3.41Å; Q77-K79 PolarHBondContact O-N 2.83Å; Q77-V80 PolarHBondContact O-N 3.05Å; Q77-T81 WeakPolarHBondContact O-CG2 3.45Å; Q77-T81 PolarHBondContact O-N 3.44Å; Q77-T81 PolarHBondContact O-OG1 3.09Å
78V97.4Very high94.3Very high76 Ų76110.6 Ų110.646%0.46156%0.558SS.*Hα-helixtrans-61.4-43.8175175.80000111.1D74 L76 T81 Q82D74-V78 PolarHBondContact O-N 3.42Å; L76-V78 VanDerWaalsContact C-N 3.33Å; L76-V78 PolarHBondContact O-N 2.95Å; V78-T81 WeakPolarHBondContact CA-OG1 3.44Å; V78-T81 PolarHBondContact O-N 3.09Å; V78-T81 PolarHBondContact O-OG1 3.15Å; V78-Q82 VanDerWaalsContact CG1-NE2 3.26Å; V78-Q82 VanDerWaalsContact O-CG 3.3Å; V78-Q82 WeakPolarHBondContact O-CG 3.25Å; V78-Q82 PolarHBondContact O-N 3.16Å
79K96.1Very high93.6Very high145 Ų145115.9 Ų115.963%0.6358%0.578SS**Hα-helixtrans-64.3-44.1178.9-73.2179.4179.4-170.70112.6R75 L76 Q77 T81 Q82 L83R75-K79 WeakPolarHBondContact O-CG 3.48Å; R75-K79 PolarHBondContact O-N 2.94Å; L76-K79 PolarHBondContact O-N 3.47Å; L76-K79 VanDerWaalsContact O-N 3.11Å; Q77-K79 PolarHBondContact O-N 2.83Å; K79-T81 VanDerWaalsContact C-N 3.33Å; K79-T81 PolarHBondContact O-N 3.35Å; K79-Q82 PolarHBondContact O-N 3.41Å; K79-L83 PolarHBondContact O-N 2.89Å
80V96.3Very high92.7Very high81 Ų81117.6 Ų117.649%0.49159%0.592SS.*Hα-helixtrans-65.6-38.3-179.4171.50000111.2L76 Q77 Q82 L83L76-V80 HydrophobicContact CD1-CG2 4.07Å; L76-V80 HydrophobicContact CG-CG2 4.19Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.07Å; Q77-V80 PolarHBondContact O-N 3.05Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 3.17Å; V80-L83 PolarHBondContact O-N 3.32Å
81T95.1Very high92Very high97 Ų97119 Ų11960%0.59560%0.597SS**Hα-helixtrans-71.5-20.917848.70000113.8Q77 V78 K79Q77-T81 WeakPolarHBondContact O-CG2 3.45Å; Q77-T81 PolarHBondContact O-N 3.44Å; Q77-T81 PolarHBondContact O-OG1 3.09Å; V78-T81 WeakPolarHBondContact CA-OG1 3.44Å; V78-T81 PolarHBondContact O-N 3.09Å; V78-T81 PolarHBondContact O-OG1 3.15Å; K79-T81 VanDerWaalsContact C-N 3.33Å; K79-T81 PolarHBondContact O-N 3.35Å
82Q93.3Very high91.2Very high148 Ų148120 Ų12069%0.69261%0.606SS**THydrogen-bonded Turntrans-89.4-3.5175.8-70.2176.111.800113.7V78 K79 V80 D84V78-Q82 VanDerWaalsContact CG1-NE2 3.26Å; V78-Q82 VanDerWaalsContact O-CG 3.3Å; V78-Q82 WeakPolarHBondContact O-CG 3.25Å; V78-Q82 PolarHBondContact O-N 3.16Å; K79-Q82 PolarHBondContact O-N 3.41Å; V80-Q82 VanDerWaalsContact C-N 3.28Å; V80-Q82 PolarHBondContact O-N 3.17Å; Q82-D84 PolarHBondContact O-N 3.36Å
83L92.3Very high90.6Very high102 Ų102119.6 Ų119.653%0.53461%0.61SS.*  trans-70.8121.5178.2-68.4172.6000110.4K79 V80K79-L83 PolarHBondContact O-N 2.89Å; V80-L83 PolarHBondContact O-N 3.32Å
84D90.9Very high89.8Confident75 Ų75117 Ų11740%0.40160%0.597SS.*  trans-98.3111.1169.5-172.1-11.2000110.1Q82 K86 E87 E88Q82-D84 PolarHBondContact O-N 3.36Å; D84-K86 PolarHBondContact O-N 3.37Å; D84-K86 VanDerWaalsContact O-N 3.13Å; D84-K86 WeakPolarHBondContact OD1-CB 3.47Å; D84-K86 PolarHBondContact OD1-N 3.3Å; D84-E87 HydrophobicContact CB-CB 4.14Å; D84-E87 PolarHBondContact O-N 2.98Å; D84-E87 VanDerWaalsContact O-N 3.13Å; D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.15Å
85P84.7Confident89.1Confident113 Ų113118.3 Ų118.373%0.73460%0.602SS**THydrogen-bonded Turntrans-65.8-13.3179.727.3-34.7000113.9
86K85.8Confident88.6Confident198 Ų198118.3 Ų118.386%0.86162%0.617SS**THydrogen-bonded Turntrans-86-22.1175.4-64.7-178.6179.5177.70113.1D84D84-K86 PolarHBondContact O-N 3.37Å; D84-K86 VanDerWaalsContact O-N 3.13Å; D84-K86 WeakPolarHBondContact OD1-CB 3.47Å; D84-K86 PolarHBondContact OD1-N 3.3Å
87E83.1Confident88.2Confident157 Ų157118.5 Ų118.573%0.73462%0.623SS**THydrogen-bonded Turntrans-96.7-22.4179.4-167.7176.4-178.100112D84 E89D84-E87 HydrophobicContact CB-CB 4.14Å; D84-E87 PolarHBondContact O-N 2.98Å; D84-E87 VanDerWaalsContact O-N 3.13Å; E87-E89 PolarHBondContact O-N 3.13Å
88E81.7Confident87.8Confident128 Ų128121.4 Ų121.460%0.59863%0.628SS**  trans-73.896.4-177.4-169.5169.8-17800113D84D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.15Å
89E83.4Confident87.6Confident185 Ų185127.6 Ų127.686%0.86465%0.649SS**  trans-79.5127.3173.9-66.2-172.7172.300112.8E87 S91E87-E89 PolarHBondContact O-N 3.13Å; E89-S91 PolarHBondContact O-N 3.37Å
90V81.2Confident87.4Confident133 Ų133124.2 Ų124.281%0.80665%0.648SS**  trans-79.4103.3176.5-177.20000110.5L92V90-L92 PolarHBondContact O-N 3.17Å
91S82.8Confident87.3Confident60 Ų60129.1 Ų129.142%0.4266%0.663SS.*  trans-80.3113.6178.3-177.80000112.7E89 Q93 A94E89-S91 PolarHBondContact O-N 3.37Å; S91-Q93 PolarHBondContact O-N 3.5Å; S91-Q93 PolarHBondContact OG-N 3.39Å; S91-A94 VanDerWaalsContact O-CB 3.3Å; S91-A94 WeakPolarHBondContact O-CB 2.9Å; S91-A94 PolarHBondContact O-N 3.43Å
92L82.1Confident87.4Confident130 Ų130134.4 Ų134.468%0.68167%0.672SS**THydrogen-bonded Turntrans-66-24.1172.2-64.7177.8000112.9V90 A94 I95V90-L92 PolarHBondContact O-N 3.17Å; L92-A94 PolarHBondContact O-N 2.99Å; L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 PolarHBondContact O-N 3.1Å
93Q85.2Confident87.5Confident147 Ų147131 Ų13169%0.68767%0.665SS**Hα-helixtrans-62.5-27.5174.5-71.4-176.6-7.300111.8S91 I95 T96 T97S91-Q93 PolarHBondContact O-N 3.5Å; S91-Q93 PolarHBondContact OG-N 3.39Å; Q93-I95 PolarHBondContact O-N 3.49Å; Q93-T96 PolarHBondContact O-N 2.78Å; Q93-T97 WeakPolarHBondContact O-CB 3.4Å; Q93-T97 WeakPolarHBondContact O-CG2 3.01Å; Q93-T97 PolarHBondContact O-N 3.47Å; Q93-T97 PolarHBondContact O-OG1 3.45Å
94A82.9Confident87.5Confident22 Ų22130.7 Ų130.718%0.18267%0.671CS.*Hα-helixtrans-62.5-28.9177.900000112.6S91 L92 T96 R98S91-A94 VanDerWaalsContact O-CB 3.3Å; S91-A94 WeakPolarHBondContact O-CB 2.9Å; S91-A94 PolarHBondContact O-N 3.43Å; L92-A94 PolarHBondContact O-N 2.99Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.25Å; A94-R98 HydrophobicContact CB-CG 4.3Å; A94-R98 VanDerWaalsContact O-CB 3.32Å; A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3Å
95I82.4Confident87.7Confident134 Ų134133.2 Ų133.269%0.68768%0.684SS**Hα-helixtrans-64.5-37.8-178.9-58.8173.1000111L92 Q93L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 PolarHBondContact O-N 3.1Å; Q93-I95 PolarHBondContact O-N 3.49Å
96T88.8Confident88.1Confident130 Ų130133.6 Ų133.680%0.79868%0.684SS**Hα-helixtrans-97.2-30.3-176.6-15.50000112.7Q93 A94Q93-T96 PolarHBondContact O-N 2.78Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.25Å
97T89.6Confident88.4Confident108 Ų108129 Ų12966%0.66367%0.666SS**Hα-helixtrans-95.3-26.4-173.260.50000114Q93Q93-T97 WeakPolarHBondContact O-CB 3.4Å; Q93-T97 WeakPolarHBondContact O-CG2 3.01Å; Q93-T97 PolarHBondContact O-N 3.47Å; Q93-T97 PolarHBondContact O-OG1 3.45Å
98R89.3Confident88.9Confident180 Ų180128.5 Ų128.568%0.67967%0.668SS**SBendtrans-99.8140.5179.7-58.7-175.2-172.41570.8110.3A94A94-R98 HydrophobicContact CB-CG 4.3Å; A94-R98 VanDerWaalsContact O-CB 3.32Å; A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3Å
99K93.1Very high89.4Confident207 Ų207127.4 Ų127.490%0.966%0.663SS**PPolyproline II helixtrans-67.3137.1169.5-66.8-178.8-179.7177.70108.9
100A92.1Very high89.8Confident73 Ų73125.1 Ų125.160%0.60365%0.652SS**PPolyproline II helixtrans-60.6147.517300000111
101F94.6Very high90.3Very high185 Ų185124 Ų12481%0.81164%0.641SS**PPolyproline II helixtrans-57.5140.3172.4172.1-100.6000110.8
102R95.4Very high90.7Very high207 Ų207130.7 Ų130.778%0.78166%0.663SS**  trans-129.4130.8173.5-63-63.3-176.6-176.40.3108.8
103S95.3Very high91.2Very high77 Ų77127.1 Ų127.154%0.53865%0.647SS.*  trans-70.9163.5167.650.50000110.6L105S103-L105 WeakPolarHBondContact O-CD1 3.41Å
104S93.6Very high91.5Very high95 Ų95126.9 Ų126.966%0.66464%0.64SS**  trans-67.5131.7168.7-171.50000109.8T106S104-T106 WeakPolarHBondContact OG-CG2 3.43Å; S104-T106 PolarHBondContact OG-OG1 3.26Å; S104-T106 VanDerWaalsContact OG-OG1 3.09Å
105L93.6Very high91.9Very high129 Ų129131.8 Ų131.868%0.67567%0.67SS**  trans-116.724.5173.2-81.378.6000111.2S103 Q107S103-L105 WeakPolarHBondContact O-CD1 3.41Å; L105-Q107 PolarHBondContact O-N 3.29Å
106T93.8Very high92.4Very high120 Ų120128.2 Ų128.274%0.73666%0.657SS**  trans-59.4129.9175.349.40000110.2S104S104-T106 WeakPolarHBondContact OG-CG2 3.43Å; S104-T106 PolarHBondContact OG-OG1 3.26Å; S104-T106 VanDerWaalsContact OG-OG1 3.09Å
107Q93.4Very high92.4Very high101 Ų101124.4 Ų124.447%0.47263%0.631SS.*  trans-126128.8177-70-177-5.200109.6L105 N450L105-Q107 PolarHBondContact O-N 3.29Å; Q107-N450 VanDerWaalsContact CD-CG 3.43Å; Q107-N450 VanDerWaalsContact NE2-CG 3.26Å; Q107-N450 PolarHBondContact NE2-ND2 2.71Å; Q107-N450 PolarHBondContact NE2-OD1 3.07Å; Q107-N450 PolarHBondContact OE1-ND2 2.82Å
108D92.3Very high92.4Very high147 Ų147122 Ų12279%0.78662%0.617SS**  trans-73.7129.1177.4-61.8-22.4000109.4L111D108-L111 HydrophobicContact CB-CD2 3.98Å
109Q92.6Very high92.4Very high105 Ų105117.8 Ų117.849%0.49161%0.611SS.*  trans-137.2168.4-179.8-59.6-176.117.300108.5L111Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.46Å
110Q91.6Very high92.1Very high137 Ų137108.1 Ų108.164%0.6457%0.57SS**  trans5645.3178.9-60.9-72.5-31.500112.3F112 T113Q110-F112 PolarHBondContact O-N 2.93Å; Q110-T113 HydrophobicContact CB-CG2 3.95Å; Q110-T113 VanDerWaalsContact O-CG2 3.28Å; Q110-T113 WeakPolarHBondContact O-CG2 3.39Å
111L91.2Very high91.9Very high110 Ų110105.7 Ų105.758%0.57655%0.548SS*.  trans-63.2-23.4-174.8-59.2177.6000113.7D108 Q109 S116D108-L111 HydrophobicContact CB-CD2 3.98Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 3.46Å; L111-S116 WeakPolarHBondContact O-CB 3.42Å; L111-S116 PolarHBondContact O-OG 2.96Å
112F90.7Very high91.8Very high201 Ų201100.1 Ų100.188%0.88252%0.524SS*.SBendtrans-11173.3-177.5-57.2-74.6000110.8Q110Q110-F112 PolarHBondContact O-N 2.93Å
113T92.8Very high91.4Very high55 Ų5593.7 Ų93.734%0.33751%0.505SS..SBendtrans-114.1166.2175.853.50000110.1Q110 P115 S116 L117Q110-T113 HydrophobicContact CB-CG2 3.95Å; Q110-T113 VanDerWaalsContact O-CG2 3.28Å; Q110-T113 WeakPolarHBondContact O-CG2 3.39Å; T113-P115 VanDerWaalsContact C-N 3.34Å; T113-S116 PolarHBondContact N-OG 2.96Å; T113-S116 PolarHBondContact O-N 3.23Å; T113-S116 VanDerWaalsContact O-N 3.16Å; T113-S116 PolarHBondContact O-OG 3.47Å; T113-S116 VanDerWaalsContact O-OG 3.04Å; T113-S116 PolarHBondContact OG1-OG 3.1Å; T113-L117 PolarHBondContact O-N 3.32Å
114R91.8Very high91.1Very high142 Ų14293.3 Ų93.354%0.53650%0.5SS..G310 helixtrans-56.4-41.1177.8-67.8-61.4-170.21494113.4S116 L117 Y125R114-S116 VanDerWaalsContact C-N 3.33Å; R114-S116 PolarHBondContact O-N 2.91Å; R114-L117 VanDerWaalsContact O-CB 3.23Å; R114-L117 WeakPolarHBondContact O-CB 3.49Å; R114-L117 PolarHBondContact O-N 3.02Å; R114-Y125 PolarHBondContact NH2-OH 2.97Å
115P92.5Very high91Very high124 Ų12494 Ų9481%0.80549%0.488SS*.G310 helixtrans-70-24.4177.2-21.935.6000114.6T113 L117T113-P115 VanDerWaalsContact C-N 3.34Å; P115-L117 VanDerWaalsContact C-N 3.25Å
116S91.5Very high91Very high59 Ų5992.5 Ų92.541%0.41349%0.485SS..G310 helixtrans-85.22.417667.50000113.2L111 T113 R114 P118L111-S116 WeakPolarHBondContact O-CB 3.42Å; L111-S116 PolarHBondContact O-OG 2.96Å; T113-S116 PolarHBondContact N-OG 2.96Å; T113-S116 PolarHBondContact O-N 3.23Å; T113-S116 VanDerWaalsContact O-N 3.16Å; T113-S116 PolarHBondContact O-OG 3.47Å; T113-S116 VanDerWaalsContact O-OG 3.04Å; T113-S116 PolarHBondContact OG1-OG 3.1Å; R114-S116 VanDerWaalsContact C-N 3.33Å; R114-S116 PolarHBondContact O-N 2.91Å; S116-P118 WeakPolarHBondContact O-CD 3.45Å
117L90Very high90.8Very high50 Ų5092.5 Ų92.526%0.26249%0.485SS..SBendtrans-69.7125179.2-165.269.1000110.3T113 R114 P115 V121 Q122T113-L117 PolarHBondContact O-N 3.32Å; R114-L117 VanDerWaalsContact O-CB 3.23Å; R114-L117 WeakPolarHBondContact O-CB 3.49Å; R114-L117 PolarHBondContact O-N 3.02Å; P115-L117 VanDerWaalsContact C-N 3.25Å; L117-V121 HydrophobicContact CD1-CB 4.1Å; L117-V121 HydrophobicContact CD1-CG1 3.65Å; L117-V121 HydrophobicContact CD2-CG1 4.29Å; L117-V121 HydrophobicContact CG-CB 4.13Å; L117-V121 HydrophobicContact CG-CG1 4.07Å; L117-Q122 HydrophobicContact CD2-CB 4.08Å
118P89.1Confident90.8Very high57 Ų5791.1 Ų91.137%0.3749%0.486SS..  trans-61.1141.6176.9-23.433.9000111.7S116 P120 V121 Q122S116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-P120 VanDerWaalsContact C-CD 3.46Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P118-V121 HydrophobicContact CB-CG2 4.27Å; P118-V121 HydrophobicContact CG-CG2 4.4Å; P118-V121 WeakPolarHBondContact O-CA 3.4Å; P118-V121 WeakPolarHBondContact O-CB 3.5Å; P118-V121 PolarHBondContact O-N 2.86Å; P118-Q122 PolarHBondContact O-N 3.27Å
119V88.6Confident91Very high92 Ų9291.8 Ų91.856%0.55849%0.489SS*.Hα-helixtrans-49.9-45.8-179.2176.90000112.6V121 Q122 D123V119-V121 VanDerWaalsContact C-N 3.26Å; V119-V121 PolarHBondContact O-N 3.45Å; V119-Q122 WeakPolarHBondContact O-CA 3.34Å; V119-Q122 WeakPolarHBondContact O-CB 3.19Å; V119-Q122 PolarHBondContact O-N 3.43Å; V119-D123 PolarHBondContact O-N 2.82Å
120P87.3Confident91.1Very high5 Ų592 Ų923%0.03250%0.5CS..Hα-helixtrans-62.8-31.6179.4-25.136.9000114.1T5 R6 P118 T124T5-P120 WeakPolarHBondContact O-CB 3.36Å; R6-P120 HydrophobicContact CG-CB 4.2Å; R6-P120 HydrophobicContact CG-CG 4.25Å; P118-P120 VanDerWaalsContact C-CD 3.46Å; P118-P120 VanDerWaalsContact C-N 3.32Å; P120-T124 PolarHBondContact O-N 2.68Å; P120-T124 PolarHBondContact O-OG1 3.41Å
121V89Confident91.3Very high22 Ų2288 Ų8813%0.13349%0.485CS..Hα-helixtrans-75.4-36.8175.4-176.40000110.5T5 L117 P118 V119 T124 Y125T5-V121 HydrophobicContact CG2-CG2 3.85Å; L117-V121 HydrophobicContact CD1-CB 4.1Å; L117-V121 HydrophobicContact CD1-CG1 3.65Å; L117-V121 HydrophobicContact CD2-CG1 4.29Å; L117-V121 HydrophobicContact CG-CB 4.13Å; L117-V121 HydrophobicContact CG-CG1 4.07Å; P118-V121 HydrophobicContact CB-CG2 4.27Å; P118-V121 HydrophobicContact CG-CG2 4.4Å; P118-V121 WeakPolarHBondContact O-CA 3.4Å; P118-V121 WeakPolarHBondContact O-CB 3.5Å; P118-V121 PolarHBondContact O-N 2.86Å; V119-V121 VanDerWaalsContact C-N 3.26Å; V119-V121 PolarHBondContact O-N 3.45Å; V121-T124 PolarHBondContact O-N 3.4Å; V121-Y125 WeakPolarHBondContact O-CB 3.33Å; V121-Y125 PolarHBondContact O-N 2.9Å
122Q91Very high91.5Very high68 Ų6885.6 Ų85.632%0.31848%0.476SS..Hα-helixtrans-63.5-41.1174.4-179.659.654.400112L117 P118 V119 T124 Y125 T126L117-Q122 HydrophobicContact CD2-CB 4.08Å; P118-Q122 PolarHBondContact O-N 3.27Å; V119-Q122 WeakPolarHBondContact O-CA 3.34Å; V119-Q122 WeakPolarHBondContact O-CB 3.19Å; V119-Q122 PolarHBondContact O-N 3.43Å; Q122-T124 VanDerWaalsContact C-N 3.35Å; Q122-T124 PolarHBondContact O-N 3.05Å; Q122-Y125 WeakPolarHBondContact O-CB 3.22Å; Q122-Y125 PolarHBondContact O-N 3.23Å; Q122-T126 PolarHBondContact NE2-OG1 2.98Å; Q122-T126 PolarHBondContact O-N 2.97Å; Q122-T126 PolarHBondContact O-OG1 3.3Å
123D88.7Confident91.7Very high72 Ų7280.2 Ų80.239%0.38546%0.462SS..Hα-helixtrans-60-46.8174.9-74.8-3.2000110.9K46 V119 Y125 T126 T127K46-D123 IonicContact NZ-OD2 3.02Å; V119-D123 PolarHBondContact O-N 2.82Å; D123-Y125 PolarHBondContact O-N 2.94Å; D123-T126 PolarHBondContact O-N 3.39Å; D123-T127 PolarHBondContact O-N 3.04Å; D123-T127 PolarHBondContact O-OG1 2.97Å
124T88.6Confident91.9Very high69 Ų6980.1 Ų80.142%0.42346%0.459SS..Hα-helixtrans-62-44.9176.4-55.40000111.1P120 V121 Q122 T126 T127 C128P120-T124 PolarHBondContact O-N 2.68Å; P120-T124 PolarHBondContact O-OG1 3.41Å; V121-T124 PolarHBondContact O-N 3.4Å; Q122-T124 VanDerWaalsContact C-N 3.35Å; Q122-T124 PolarHBondContact O-N 3.05Å; T124-T126 VanDerWaalsContact C-N 3.27Å; T124-T126 PolarHBondContact O-N 2.71Å; T124-T127 PolarHBondContact O-N 3.18Å; T124-T127 VanDerWaalsContact O-N 3.15Å; T124-C128 PolarHBondContact O-N 3.32Å; T124-C128 PolarHBondContact O-SG 2.91Å; T124-C128 VanDerWaalsContact O-SG 3.4Å
125Y91.2Very high92Very high108 Ų10877.6 Ų77.642%0.42446%0.456SS..Hα-helixtrans-59-38.1177.9179.1-99.5000112.3R114 V121 Q122 D123 T127 C128R114-Y125 PolarHBondContact NH2-OH 2.97Å; V121-Y125 WeakPolarHBondContact O-CB 3.33Å; V121-Y125 PolarHBondContact O-N 2.9Å; Q122-Y125 WeakPolarHBondContact O-CB 3.22Å; Q122-Y125 PolarHBondContact O-N 3.23Å; D123-Y125 PolarHBondContact O-N 2.94Å; Y125-T127 VanDerWaalsContact C-N 3.26Å; Y125-T127 PolarHBondContact O-N 3.05Å; Y125-C128 WeakPolarHBondContact O-CB 3.46Å; Y125-C128 PolarHBondContact O-N 3.21Å
126T92.4Very high92.1Very high98 Ų9877.9 Ų77.960%0.60145%0.447SS*.Hα-helixtrans-70.2-24.9-179.4-52.20000112.4Q122 D123 T124 C128Q122-T126 PolarHBondContact NE2-OG1 2.98Å; Q122-T126 PolarHBondContact O-N 2.97Å; Q122-T126 PolarHBondContact O-OG1 3.3Å; D123-T126 PolarHBondContact O-N 3.39Å; T124-T126 VanDerWaalsContact C-N 3.27Å; T124-T126 PolarHBondContact O-N 2.71Å; T126-C128 VanDerWaalsContact C-N 3.33Å
127T91.2Very high92.2Very high120 Ų12079.6 Ų79.674%0.73645%0.451SS*.Hα-helixtrans-80.9-15.8175.5-50.80000112.1D123 T124 Y125D123-T127 PolarHBondContact O-N 3.04Å; D123-T127 PolarHBondContact O-OG1 2.97Å; T124-T127 PolarHBondContact O-N 3.18Å; T124-T127 VanDerWaalsContact O-N 3.15Å; Y125-T127 VanDerWaalsContact C-N 3.26Å; Y125-T127 PolarHBondContact O-N 3.05Å
128C93.3Very high92.4Very high73 Ų7378.6 Ų78.649%0.49345%0.448SS..SBendtrans-71.6155176.8-63.20000112.1T124 Y125 T126 P130T124-C128 PolarHBondContact O-N 3.32Å; T124-C128 PolarHBondContact O-SG 2.91Å; T124-C128 VanDerWaalsContact O-SG 3.4Å; Y125-C128 WeakPolarHBondContact O-CB 3.46Å; Y125-C128 PolarHBondContact O-N 3.21Å; T126-C128 VanDerWaalsContact C-N 3.33Å; C128-P130 WeakPolarHBondContact O-CD 3.38Å
129N95.9Very high92.6Very high160 Ų16082.8 Ų82.886%0.85646%0.463SS*.PPolyproline II helixtrans-64125.2175.8-68.9-30.8000110.6
130P95.2Very high92.9Very high110 Ų11086.8 Ų86.871%0.71447%0.469SS*.PPolyproline II helixtrans-71.8157.6174.730.7-34.7000110.8C128C128-P130 WeakPolarHBondContact O-CD 3.38Å
131P95.4Very high93.3Very high52 Ų5290.6 Ų90.634%0.33848%0.483SS..PPolyproline II helixtrans-64.1157.2172.629.8-35.5000110.7L148 Y151P131-L148 HydrophobicContact CB-CD1 3.94Å; P131-L148 HydrophobicContact CG-CD1 4.15Å; P131-Y151 HydrophobicContact CB-CD1 4.03Å; P131-Y151 HydrophobicContact CB-CE1 3.77Å
132P95.6Very high93.6Very high60 Ų6099.3 Ų99.339%0.3952%0.522SS..PPolyproline II helixtrans-53.8144.7172.1-23.333.4000111L134 Y151P132-L134 HydrophobicContact CB-CD2 4.37Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.49Å; P132-Y151 HydrophobicContact CG-CE2 4.48Å
133P94.7Very high93.8Very high89 Ų8999.4 Ų99.458%0.57853%0.525SS*.  trans-76.753.4-173.533-37.4000112.8N135 Q136P133-N135 PolarHBondContact O-N 3.43Å; P133-N135 VanDerWaalsContact O-N 3.15Å; P133-Q136 PolarHBondContact O-N 3.45Å
134L95.9Very high93.9Very high53 Ų5399.4 Ų99.428%0.27754%0.542SS..G310 helixtrans-63.8-20.8-177.1-61.4179.6000112.8P132 Q136 L137 A147 L148 Y151P132-L134 HydrophobicContact CB-CD2 4.37Å; P132-L134 HydrophobicContact CB-CG 4.18Å; P132-L134 PolarHBondContact O-N 3.49Å; L134-Q136 PolarHBondContact O-N 2.89Å; L134-Q136 VanDerWaalsContact O-N 3.07Å; L134-L137 WeakPolarHBondContact O-CA 3.33Å; L134-L137 WeakPolarHBondContact O-CB 3.45Å; L134-L137 PolarHBondContact O-N 2.91Å; L134-A147 HydrophobicContact CB-CB 4.26Å; L134-A147 VanDerWaalsContact O-CB 3.27Å; L134-A147 WeakPolarHBondContact O-CB 3.37Å; L134-L148 HydrophobicContact CB-CB 4.5Å; L134-L148 HydrophobicContact CB-CD1 4.47Å; L134-Y151 HydrophobicContact CD1-CD2 4.46Å; L134-Y151 HydrophobicContact CD1-CG 4.17Å
135N93.9Very high94.1Very high88 Ų88102.1 Ų102.147%0.47155%0.548SS..G310 helixtrans-54.9-27.1175.3-78.3-17.2000113.5P133 L137 S138 L148P133-N135 PolarHBondContact O-N 3.43Å; P133-N135 VanDerWaalsContact O-N 3.15Å; N135-L137 PolarHBondContact O-N 3.33Å; N135-S138 WeakPolarHBondContact O-CB 3.22Å; N135-S138 PolarHBondContact O-N 3.12Å; N135-S138 PolarHBondContact O-OG 3.22Å; N135-L148 WeakPolarHBondContact OD1-CB 3.36Å
136Q94.7Very high94.3Very high130 Ų130102 Ų10261%0.60755%0.551SS**G310 helixtrans-66.9-24.6175.8-61.2176.715.200112.6P133 L134 Q139P133-Q136 PolarHBondContact O-N 3.45Å; L134-Q136 PolarHBondContact O-N 2.89Å; L134-Q136 VanDerWaalsContact O-N 3.07Å; Q136-Q139 PolarHBondContact O-NE2 2.99Å
137L94.6Very high94.4Very high95 Ų9597.9 Ų97.950%0.49753%0.527SS..G310 helixtrans-87.3-12.1178.5-69.285.2000112.8L134 N135 Q139 Y140 A147L134-L137 WeakPolarHBondContact O-CA 3.33Å; L134-L137 WeakPolarHBondContact O-CB 3.45Å; L134-L137 PolarHBondContact O-N 2.91Å; N135-L137 PolarHBondContact O-N 3.33Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-Y140 PolarHBondContact O-N 2.92Å; L137-A147 HydrophobicContact CB-CB 4.43Å
138S93.6Very high94.6Very high30 Ų3093.7 Ų93.721%0.2150%0.5CS..G310 helixtrans-56.6-33.7179.9-60.30000112.4N135 Y140 R141 A147N135-S138 WeakPolarHBondContact O-CB 3.22Å; N135-S138 PolarHBondContact O-N 3.12Å; N135-S138 PolarHBondContact O-OG 3.22Å; S138-Y140 PolarHBondContact O-N 2.77Å; S138-R141 WeakPolarHBondContact O-CB 3.42Å; S138-R141 PolarHBondContact O-N 3.07Å; S138-A147 PolarHBondContact OG-N 3.25Å
139Q94.8Very high94.8Very high145 Ų14594.8 Ų94.868%0.67850%0.496SS*.G310 helixtrans-64.8-22.2178.672.3-172.4-60.400114.2Q136 L137Q136-Q139 PolarHBondContact O-NE2 2.99Å; L137-Q139 PolarHBondContact O-N 3.01Å
140Y94.6Very high94.7Very high176 Ų17693.1 Ų93.169%0.6948%0.482SS*.G310 helixtrans-95.94-179.4-53.2-69000112.4L137 S138L137-Y140 PolarHBondContact O-N 2.92Å; S138-Y140 PolarHBondContact O-N 2.77Å
141R95Very high94.8Very high85 Ų8594.8 Ų94.832%0.32148%0.475SS..  trans-88.2133.8-179.8-65.6-17259.585.39111.1S138 D143 K145S138-R141 WeakPolarHBondContact O-CB 3.42Å; S138-R141 PolarHBondContact O-N 3.07Å; R141-D143 IonicContact CZ-OD1 3.39Å; R141-D143 IonicContact CZ-OD2 3.66Å; R141-D143 IonicContact NE-OD1 3.89Å; R141-D143 PolarHBondContact NE-OD1 3.48Å; R141-D143 IonicContact NE-OD2 2.82Å; R141-D143 IonicContact NH2-OD1 3.11Å; R141-D143 PolarHBondContact NH2-OD1 3.11Å; R141-D143 VanDerWaalsContact NH2-OD1 3.11Å; R141-D143 IonicContact NH2-OD2 2.69Å; R141-D143 PolarHBondContact NH2-OD2 3.06Å; R141-K145 VanDerWaalsContact CD-O 3.23Å; R141-K145 WeakPolarHBondContact CD-O 3.26Å; R141-K145 PolarHBondContact NE-O 3.32Å
142E95.3Very high94.8Very high204 Ų20495.4 Ų95.495%0.95348%0.478SS*.THydrogen-bonded Turntrans-78.6-23.3178.7-60.9-179.7176.300113.1G144E142-G144 VanDerWaalsContact C-N 3.32Å; E142-G144 PolarHBondContact O-N 3.01Å
143D94.3Very high94.8Very high70 Ų7094.6 Ų94.637%0.37447%0.47SS..THydrogen-bonded Turntrans-85-1.1-176.768.9-13.3000114.3R141 K145R141-D143 IonicContact CZ-OD1 3.39Å; R141-D143 IonicContact CZ-OD2 3.66Å; R141-D143 IonicContact NE-OD1 3.89Å; R141-D143 PolarHBondContact NE-OD1 3.48Å; R141-D143 IonicContact NE-OD2 2.82Å; R141-D143 IonicContact NH2-OD1 3.11Å; R141-D143 PolarHBondContact NH2-OD1 3.11Å; R141-D143 VanDerWaalsContact NH2-OD1 3.11Å; R141-D143 IonicContact NH2-OD2 2.69Å; R141-D143 PolarHBondContact NH2-OD2 3.06Å; D143-K145 HydrophobicContact CB-CG 4.37Å; D143-K145 PolarHBondContact O-N 3.26Å; D143-K145 VanDerWaalsContact O-N 3.14Å; D143-K145 PolarHBondContact OD1-N 3.18Å; D143-K145 WeakPolarHBondContact OD2-CD 3.13Å
144G91.8Very high94.8Very high73 Ų7395.5 Ų95.575%0.75348%0.476SS*.  trans65.310.6-178.600000114.6E142E142-G144 VanDerWaalsContact C-N 3.32Å; E142-G144 PolarHBondContact O-N 3.01Å
145K93Very high94.8Very high125 Ų12594.8 Ų94.854%0.54348%0.476SS..  trans-89.8149.8-179-62.4-176-171.2169.70111R141 D143 A147 F150R141-K145 VanDerWaalsContact CD-O 3.23Å; R141-K145 WeakPolarHBondContact CD-O 3.26Å; R141-K145 PolarHBondContact NE-O 3.32Å; D143-K145 HydrophobicContact CB-CG 4.37Å; D143-K145 PolarHBondContact O-N 3.26Å; D143-K145 VanDerWaalsContact O-N 3.14Å; D143-K145 PolarHBondContact OD1-N 3.18Å; D143-K145 WeakPolarHBondContact OD2-CD 3.13Å; K145-A147 PolarHBondContact O-N 3.28Å; K145-F150 HydrophobicContact CB-CE2 3.87Å; K145-F150 HydrophobicContact CB-CZ 4.26Å; K145-F150 HydrophobicContact CD-CE2 4.46Å; K145-F150 HydrophobicContact CD-CZ 4.06Å
146E94.2Very high94.9Very high106 Ų10696.6 Ų96.650%0.49548%0.477SS..  trans-66.6123.1173.7-70178.1166.100110.6L148 K149 F150E146-L148 PolarHBondContact O-N 2.96Å; E146-K149 HydrophobicContact CB-CD 4.29Å; E146-K149 HydrophobicContact CB-CG 4Å; E146-K149 WeakPolarHBondContact O-CB 3.32Å; E146-K149 PolarHBondContact O-N 3.49Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 WeakPolarHBondContact OE2-CE 3.41Å; E146-F150 WeakPolarHBondContact O-CD2 3.5Å
147A95.4Very high95Very high11 Ų1198.1 Ų98.19%0.09148%0.481CS..G310 helixtrans-59.6-34.6-179.500000112.3L134 L137 S138 K145 K149 F150L134-A147 HydrophobicContact CB-CB 4.26Å; L134-A147 VanDerWaalsContact O-CB 3.27Å; L134-A147 WeakPolarHBondContact O-CB 3.37Å; L137-A147 HydrophobicContact CB-CB 4.43Å; S138-A147 PolarHBondContact OG-N 3.25Å; K145-A147 PolarHBondContact O-N 3.28Å; A147-K149 VanDerWaalsContact C-N 3.27Å; A147-K149 PolarHBondContact O-N 3.26Å; A147-F150 WeakPolarHBondContact O-CB 3.32Å; A147-F150 PolarHBondContact O-N 2.76Å
148L96.1Very high95.1Very high33 Ų3398 Ų9817%0.17348%0.477CS..G310 helixtrans-65.1-29.4179.1-176.264000112.7P131 L134 N135 E146 F150 Y151 T152P131-L148 HydrophobicContact CB-CD1 3.94Å; P131-L148 HydrophobicContact CG-CD1 4.15Å; L134-L148 HydrophobicContact CB-CB 4.5Å; L134-L148 HydrophobicContact CB-CD1 4.47Å; N135-L148 WeakPolarHBondContact OD1-CB 3.36Å; E146-L148 PolarHBondContact O-N 2.96Å; L148-F150 PolarHBondContact O-N 3.29Å; L148-Y151 HydrophobicContact CD1-CD1 4.24Å; L148-Y151 CarbonylContact O-C 3.6Å; L148-Y151 WeakPolarHBondContact O-CA 3.42Å; L148-Y151 WeakPolarHBondContact O-CB 3.2Å; L148-Y151 PolarHBondContact O-N 3.5Å; L148-T152 HydrophobicContact CD1-CG2 4Å; L148-T152 HydrophobicContact CG-CG2 4.05Å; L148-T152 PolarHBondContact O-N 3.4Å
149K96.1Very high95.2Very high96 Ų96100 Ų10042%0.41749%0.486SS..G310 helixtrans-63.4-23.1177-70.7-169.7176.7-155.80113.4E146 A147 Y151 T152 D153E146-K149 HydrophobicContact CB-CD 4.29Å; E146-K149 HydrophobicContact CB-CG 4Å; E146-K149 WeakPolarHBondContact O-CB 3.32Å; E146-K149 PolarHBondContact O-N 3.49Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 WeakPolarHBondContact OE2-CE 3.41Å; A147-K149 VanDerWaalsContact C-N 3.27Å; A147-K149 PolarHBondContact O-N 3.26Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.95Å; K149-T152 WeakPolarHBondContact CA-O 3.28Å; K149-D153 HydrophobicContact CB-CB 4.24Å; K149-D153 HydrophobicContact CG-CB 4.44Å
150F94.9Very high95.3Very high124 Ų12497.1 Ų97.154%0.54447%0.474SS..G310 helixtrans-74.2-18.4172.4-66.6-94.3000113.1K145 E146 A147 L148K145-F150 HydrophobicContact CB-CE2 3.87Å; K145-F150 HydrophobicContact CB-CZ 4.26Å; K145-F150 HydrophobicContact CD-CE2 4.46Å; K145-F150 HydrophobicContact CD-CZ 4.06Å; E146-F150 WeakPolarHBondContact O-CD2 3.5Å; A147-F150 WeakPolarHBondContact O-CB 3.32Å; A147-F150 PolarHBondContact O-N 2.76Å; L148-F150 PolarHBondContact O-N 3.29Å
151Y96.5Very high95.4Very high145 Ų14592.9 Ų92.957%0.56946%0.457SS*.THydrogen-bonded Turntrans-97.6-46.3174.7178.9-93.4000111.7P131 P132 L134 L148 K149P131-Y151 HydrophobicContact CB-CD1 4.03Å; P131-Y151 HydrophobicContact CB-CE1 3.77Å; P132-Y151 HydrophobicContact CG-CE2 4.48Å; L134-Y151 HydrophobicContact CD1-CD2 4.46Å; L134-Y151 HydrophobicContact CD1-CG 4.17Å; L148-Y151 HydrophobicContact CD1-CD1 4.24Å; L148-Y151 CarbonylContact O-C 3.6Å; L148-Y151 WeakPolarHBondContact O-CA 3.42Å; L148-Y151 WeakPolarHBondContact O-CB 3.2Å; L148-Y151 PolarHBondContact O-N 3.5Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.95Å
152T96.2Very high95.4Very high65 Ų6593.4 Ų93.440%0.39946%0.462SS..  trans-148.4124.1178.5-173.40000110.5L148 K149L148-T152 HydrophobicContact CD1-CG2 4Å; L148-T152 HydrophobicContact CG-CG2 4.05Å; L148-T152 PolarHBondContact O-N 3.4Å; K149-T152 WeakPolarHBondContact CA-O 3.28Å
153D96.1Very high95.4Very high44 Ų4490 Ų9024%0.23545%0.446CS..  trans-129.5100.7176.6-175.84.2000110.7K149 S155 Y156K149-D153 HydrophobicContact CB-CB 4.24Å; K149-D153 HydrophobicContact CG-CB 4.44Å; D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 2.92Å; D153-S155 PolarHBondContact OD1-N 2.99Å; D153-S155 PolarHBondContact OD1-OG 2.85Å; D153-Y156 VanDerWaalsContact O-CB 3.3Å; D153-Y156 WeakPolarHBondContact O-CB 3.49Å; D153-Y156 PolarHBondContact O-N 2.81Å
154P94.6Very high95.5Very high108 Ų10892 Ų9270%0.70145%0.451SS*.THydrogen-bonded Turntrans-65.4-23.7176.1-22.934.7000114.2
155S95.1Very high95.6Very high38 Ų3890.4 Ų90.427%0.26643%0.425SS..THydrogen-bonded Turntrans-81.8-17.3-179.574.90000113D153 F157 F158 D159D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 2.92Å; D153-S155 PolarHBondContact OD1-N 2.99Å; D153-S155 PolarHBondContact OD1-OG 2.85Å; S155-F157 VanDerWaalsContact C-N 3.28Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.12Å; S155-F158 PolarHBondContact O-N 3.27Å; S155-D159 WeakPolarHBondContact CB-OD2 3.4Å; S155-D159 PolarHBondContact O-N 3.49Å; S155-D159 PolarHBondContact OG-OD2 3.34Å
156Y96.7Very high95.7Very high125 Ų12586.8 Ų86.849%0.4941%0.411SS..Hα-helixtrans-45.7-47.5-178.1179.5-99.4000114D153 F158 D159 L160D153-Y156 VanDerWaalsContact O-CB 3.3Å; D153-Y156 WeakPolarHBondContact O-CB 3.49Å; D153-Y156 PolarHBondContact O-N 2.81Å; Y156-F158 PolarHBondContact O-N 3.32Å; Y156-D159 PolarHBondContact O-N 3.49Å; Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.05Å; Y156-L160 PolarHBondContact O-N 3.26Å
157F96.4Very high95.7Very high162 Ų16285.8 Ų85.871%0.71141%0.406SS*.Hα-helixtrans-63.5-42.3-178.5-63.9-71.9000112.5S155 W161S155-F157 VanDerWaalsContact C-N 3.28Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.12Å; F157-W161 WeakPolarHBondContact O-CB 3.19Å; F157-W161 PolarHBondContact O-N 2.96Å
158F95.8Very high95.7Very high93 Ų9388 Ų8841%0.40842%0.416SS..Hα-helixtrans-71.1-42.3178.8177.7-100.5000111S155 Y156 W161 K162S155-F158 PolarHBondContact O-N 3.27Å; Y156-F158 PolarHBondContact O-N 3.32Å; F158-W161 AromaticContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CZ3 4.27Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CZ-CZ3 4.4Å; F158-W161 PolarHBondContact O-N 2.9Å; F158-K162 HydrophobicContact CE1-CD 4.25Å; F158-K162 VanDerWaalsContact O-CB 3.22Å; F158-K162 WeakPolarHBondContact O-CB 3.35Å; F158-K162 PolarHBondContact O-N 3.43Å
159D96.1Very high95.6Very high72 Ų7286.9 Ų86.939%0.38541%0.411SS..Hα-helixtrans-63.1-46.7-179.6-66.6-32.1000111.1S155 Y156 K162 E163S155-D159 WeakPolarHBondContact CB-OD2 3.4Å; S155-D159 PolarHBondContact O-N 3.49Å; S155-D159 PolarHBondContact OG-OD2 3.34Å; Y156-D159 PolarHBondContact O-N 3.49Å; D159-K162 PolarHBondContact O-N 3.5Å; D159-E163 WeakPolarHBondContact O-CB 3.41Å; D159-E163 PolarHBondContact O-N 3.01Å
160L96.4Very high95.4Very high85 Ų8586.7 Ų86.745%0.44541%0.41SS..Hα-helixtrans-64-42.1176.2-174.566.5000112Y156 E163 K164Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.27Å; Y156-L160 WeakPolarHBondContact O-CB 3.05Å; Y156-L160 PolarHBondContact O-N 3.26Å; L160-E163 PolarHBondContact O-N 3.05Å; L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 3.44Å
161W96.8Very high95.4Very high87 Ų8784.2 Ų84.233%0.3340%0.403SS..Hα-helixtrans-63.1-45.6176.2169.982.7000111.5F157 F158 E163 K164 M165 V452 A453F157-W161 WeakPolarHBondContact O-CB 3.19Å; F157-W161 PolarHBondContact O-N 2.96Å; F158-W161 AromaticContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CE3 3.95Å; F158-W161 HydrophobicContact CD2-CZ3 4.27Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CE2-CZ3 3.72Å; F158-W161 HydrophobicContact CZ-CZ3 4.4Å; F158-W161 PolarHBondContact O-N 2.9Å; W161-E163 PolarHBondContact O-N 3.05Å; W161-K164 PolarHBondContact O-N 3.23Å; W161-M165 HydrophobicContact CD2-CG 4.06Å; W161-M165 VanDerWaalsContact CE2-CG 3.49Å; W161-M165 HydrophobicContact CG-CG 4.46Å; W161-M165 HydrophobicContact CH2-CG 4.21Å; W161-M165 HydrophobicContact CZ2-CG 3.61Å; W161-M165 HydrophobicContact CZ2-SD 4.4Å; W161-M165 WeakPolarHBondContact O-CG 3.47Å; W161-M165 PolarHBondContact O-N 3.45Å; W161-V452 HydrophobicContact CH2-CB 3.66Å; W161-V452 HydrophobicContact CH2-CG1 3.57Å; W161-V452 HydrophobicContact CZ3-CB 4.18Å; W161-V452 HydrophobicContact CZ3-CG1 3.67Å; W161-A453 HydrophobicContact CZ2-CB 4.37Å
162K95.4Very high95.2Very high95 Ų9582.4 Ų82.441%0.41340%0.402SS..Hα-helixtrans-59.9-47.2178.2175.7-173.4173.3-1740110.7F158 D159 K164 M165 L166 L456F158-K162 HydrophobicContact CE1-CD 4.25Å; F158-K162 VanDerWaalsContact O-CB 3.22Å; F158-K162 WeakPolarHBondContact O-CB 3.35Å; F158-K162 PolarHBondContact O-N 3.43Å; D159-K162 PolarHBondContact O-N 3.5Å; K162-K164 VanDerWaalsContact C-N 3.35Å; K162-K164 PolarHBondContact O-N 3.23Å; K162-M165 PolarHBondContact O-N 2.85Å; K162-L166 PolarHBondContact O-N 3.4Å; K162-L456 HydrophobicContact CG-CD1 4.38Å
163E96.5Very high94.8Very high132 Ų13281.5 Ų81.562%0.61739%0.393SS*.Hα-helixtrans-57-49.1176-178.4176.9-165.400111D159 L160 W161 M165 L166 Q167D159-E163 WeakPolarHBondContact O-CB 3.41Å; D159-E163 PolarHBondContact O-N 3.01Å; L160-E163 PolarHBondContact O-N 3.05Å; W161-E163 PolarHBondContact O-N 3.05Å; E163-M165 PolarHBondContact O-N 3.13Å; E163-L166 WeakPolarHBondContact O-CB 3.01Å; E163-L166 PolarHBondContact O-N 2.99Å; E163-Q167 PolarHBondContact O-N 2.81Å
164K95.5Very high94.7Very high113 Ų11385.8 Ų85.849%0.49141%0.41SS..Hα-helixtrans-58.1-46.6176.9179172.9170.4410112.4L160 W161 K162 L166 Q167 D168L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 3.44Å; W161-K164 PolarHBondContact O-N 3.23Å; K162-K164 VanDerWaalsContact C-N 3.35Å; K162-K164 PolarHBondContact O-N 3.23Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 3.42Å; K164-Q167 PolarHBondContact O-N 3.47Å; K164-D168 WeakPolarHBondContact CE-OD2 3.2Å; K164-D168 VanDerWaalsContact NZ-CG 3.33Å; K164-D168 IonicContact NZ-OD1 2.87Å; K164-D168 PolarHBondContact NZ-OD1 3.42Å; K164-D168 IonicContact NZ-OD2 3.83Å; K164-D168 PolarHBondContact NZ-OD2 2.96Å; K164-D168 WeakPolarHBondContact O-CB 3.34Å; K164-D168 VanDerWaalsContact O-CG 3.26Å; K164-D168 PolarHBondContact O-N 3Å
165M93.5Very high94.5Very high39 Ų3985.6 Ų85.619%0.19240%0.4CS..Hα-helixtrans-65-34.4-179.7-68.3-59.892.200112.5W161 K162 E163 D168 T169 A453W161-M165 HydrophobicContact CD2-CG 4.06Å; W161-M165 VanDerWaalsContact CE2-CG 3.49Å; W161-M165 HydrophobicContact CG-CG 4.46Å; W161-M165 HydrophobicContact CH2-CG 4.21Å; W161-M165 HydrophobicContact CZ2-CG 3.61Å; W161-M165 HydrophobicContact CZ2-SD 4.4Å; W161-M165 WeakPolarHBondContact O-CG 3.47Å; W161-M165 PolarHBondContact O-N 3.45Å; K162-M165 PolarHBondContact O-N 2.85Å; E163-M165 PolarHBondContact O-N 3.13Å; M165-D168 VanDerWaalsContact CE-OD2 3.32Å; M165-D168 WeakPolarHBondContact CE-OD2 3.1Å; M165-T169 VanDerWaalsContact O-CB 3.32Å; M165-T169 WeakPolarHBondContact O-CB 3.22Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.93Å; M165-A453 HydrophobicContact CG-CB 4.41Å; M165-A453 HydrophobicContact SD-CB 4.21Å
166L95.1Very high94.3Very high50 Ų5090.2 Ų90.226%0.26242%0.415SS..Hα-helixtrans-66.7-43.2174.2-132.769.8000111.5K162 E163 K164 T169 K170 L456 I460K162-L166 PolarHBondContact O-N 3.4Å; E163-L166 WeakPolarHBondContact O-CB 3.01Å; E163-L166 PolarHBondContact O-N 2.99Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 3.42Å; L166-T169 PolarHBondContact O-N 3.31Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.05Å; L166-L456 HydrophobicContact CD1-CB 4.04Å; L166-L456 HydrophobicContact CD1-CD1 4.05Å; L166-L456 HydrophobicContact CD1-CD2 3.78Å; L166-L456 HydrophobicContact CD1-CG 4.17Å; L166-I460 HydrophobicContact CD1-CD1 3.47Å; L166-I460 VanDerWaalsContact CD1-CD1 3.47Å; L166-I460 HydrophobicContact CD2-CD1 4.49Å; L166-I460 HydrophobicContact CG-CD1 3.62Å
167Q95.6Very high94Very high85 Ų8589.9 Ų89.940%0.39741%0.413SS..Hα-helixtrans-66-49.2178-172.255.143.800111.4E163 K164 T169 K170 D171E163-Q167 PolarHBondContact O-N 2.81Å; K164-Q167 PolarHBondContact O-N 3.47Å; Q167-T169 PolarHBondContact O-N 3.46Å; Q167-K170 WeakPolarHBondContact O-CB 3.43Å; Q167-K170 PolarHBondContact O-N 3.27Å; Q167-D171 PolarHBondContact NE2-OD1 3.12Å; Q167-D171 PolarHBondContact NE2-OD2 3.34Å; Q167-D171 PolarHBondContact O-N 2.88Å
168D94Very high93.7Very high56 Ų5687.1 Ų87.130%0.29940%0.401SS..Hα-helixtrans-57.5-39.7176.6-69.8-7.6000110.7K164 M165 D171 I172K164-D168 WeakPolarHBondContact CE-OD2 3.2Å; K164-D168 VanDerWaalsContact NZ-CG 3.33Å; K164-D168 IonicContact NZ-OD1 2.87Å; K164-D168 PolarHBondContact NZ-OD1 3.42Å; K164-D168 IonicContact NZ-OD2 3.83Å; K164-D168 PolarHBondContact NZ-OD2 2.96Å; K164-D168 WeakPolarHBondContact O-CB 3.34Å; K164-D168 VanDerWaalsContact O-CG 3.26Å; K164-D168 PolarHBondContact O-N 3Å; M165-D168 VanDerWaalsContact CE-OD2 3.32Å; M165-D168 WeakPolarHBondContact CE-OD2 3.1Å; D168-D171 PolarHBondContact O-N 3.29Å; D168-I172 WeakPolarHBondContact O-CB 3.3Å; D168-I172 WeakPolarHBondContact O-CD1 3.27Å; D168-I172 WeakPolarHBondContact O-CG1 3.45Å; D168-I172 PolarHBondContact O-N 3.43Å
169T93.9Very high93.1Very high10 Ų1088.2 Ų88.26%0.06141%0.407CS..Hα-helixtrans-61.4-47174.5-65.20000111.8M165 L166 Q167 D171 I172 M173 S457 I460M165-T169 VanDerWaalsContact O-CB 3.32Å; M165-T169 WeakPolarHBondContact O-CB 3.22Å; M165-T169 PolarHBondContact O-N 3.33Å; M165-T169 PolarHBondContact O-OG1 2.93Å; L166-T169 PolarHBondContact O-N 3.31Å; Q167-T169 PolarHBondContact O-N 3.46Å; T169-D171 VanDerWaalsContact C-N 3.31Å; T169-D171 PolarHBondContact O-N 2.97Å; T169-I172 PolarHBondContact O-N 3.03Å; T169-M173 HydrophobicContact CG2-SD 4.28Å; T169-M173 WeakPolarHBondContact O-CG 3.47Å; T169-M173 PolarHBondContact O-N 3.39Å; T169-S457 PolarHBondContact OG1-OG 2.89Å; T169-I460 HydrophobicContact CG2-CB 4.47Å; T169-I460 HydrophobicContact CG2-CD1 4.21Å
170K93.4Very high92.6Very high93 Ų9393.2 Ų93.240%0.40442%0.42SS..Hα-helixtrans-61.5-41.2178.2-73.3174.5-179.1178.90111.3L166 Q167 M173 K174L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.05Å; Q167-K170 WeakPolarHBondContact O-CB 3.43Å; Q167-K170 PolarHBondContact O-N 3.27Å; K170-M173 PolarHBondContact O-N 3.32Å; K170-K174 WeakPolarHBondContact O-CG 3.47Å; K170-K174 PolarHBondContact O-N 3.21Å
171D93.6Very high92Very high71 Ų7197.7 Ų97.738%0.3843%0.431SS..Hα-helixtrans-69-40.6-179.3-66.1-22.4000111.5Q167 D168 T169 M173 K174 E175Q167-D171 PolarHBondContact NE2-OD1 3.12Å; Q167-D171 PolarHBondContact NE2-OD2 3.34Å; Q167-D171 PolarHBondContact O-N 2.88Å; D168-D171 PolarHBondContact O-N 3.29Å; T169-D171 VanDerWaalsContact C-N 3.31Å; T169-D171 PolarHBondContact O-N 2.97Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 2.97Å; D171-K174 PolarHBondContact O-N 3.41Å; D171-E175 WeakPolarHBondContact O-CB 3.38Å; D171-E175 PolarHBondContact O-N 3.01Å
172I92.1Very high91.2Very high108 Ų10898.1 Ų98.155%0.55444%0.437SS*.Hα-helixtrans-59.2-43.4172.1-69.4163.7000111.1D168 T169 K176D168-I172 WeakPolarHBondContact O-CB 3.3Å; D168-I172 WeakPolarHBondContact O-CD1 3.27Å; D168-I172 WeakPolarHBondContact O-CG1 3.45Å; D168-I172 PolarHBondContact O-N 3.43Å; T169-I172 PolarHBondContact O-N 3.03Å; I172-K176 VanDerWaalsContact O-CB 3.28Å; I172-K176 WeakPolarHBondContact O-CB 3.33Å; I172-K176 PolarHBondContact O-N 3.41Å
173M87.6Confident90.2Very high45 Ų45100.8 Ų100.822%0.22245%0.449CS..Hα-helixtrans-64.7-43.6178.2-73177.164.600112.1T169 K170 D171 K176 R177 I460 C464T169-M173 HydrophobicContact CG2-SD 4.28Å; T169-M173 WeakPolarHBondContact O-CG 3.47Å; T169-M173 PolarHBondContact O-N 3.39Å; K170-M173 PolarHBondContact O-N 3.32Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 2.97Å; M173-K176 PolarHBondContact O-N 2.91Å; M173-R177 WeakPolarHBondContact O-CG 3.33Å; M173-R177 PolarHBondContact O-N 3.26Å; M173-I460 HydrophobicContact CE-CG2 4.43Å; M173-I460 HydrophobicContact SD-CG2 3.83Å; M173-C464 HydrophobicContact CE-CB 4.18Å
174K93.9Very high89Confident134 Ų134102.3 Ų102.358%0.58345%0.453SS*.Hα-helixtrans-63.2-46.3177-74.4176-178.9178.10111.7K170 D171 K176 R177 K178K170-K174 WeakPolarHBondContact O-CG 3.47Å; K170-K174 PolarHBondContact O-N 3.21Å; D171-K174 PolarHBondContact O-N 3.41Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.45Å; K174-R177 PolarHBondContact O-N 3.2Å; K174-K178 WeakPolarHBondContact O-CB 3.3Å; K174-K178 PolarHBondContact O-N 3.31Å
175E91.4Very high87.6Confident105 Ų105102.1 Ų102.149%0.49146%0.458SS..Hα-helixtrans-62.8-41.3178.3-165.259.8-142.700111.1D171 R177 K178 H179D171-E175 WeakPolarHBondContact O-CB 3.38Å; D171-E175 PolarHBondContact O-N 3.01Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 PolarHBondContact O-N 2.98Å; E175-K178 PolarHBondContact O-N 3.15Å; E175-H179 WeakPolarHBondContact O-CB 3.34Å; E175-H179 PolarHBondContact O-N 2.86Å
176K91.1Very high86.1Confident134 Ų134107.1 Ų107.158%0.58349%0.485SS*.Hα-helixtrans-63.1-37.3175.5-173.8177.2178.1179.30112.9I172 M173 K174 R180I172-K176 VanDerWaalsContact O-CB 3.28Å; I172-K176 WeakPolarHBondContact O-CB 3.33Å; I172-K176 PolarHBondContact O-N 3.41Å; M173-K176 PolarHBondContact O-N 2.91Å; K174-K176 VanDerWaalsContact C-N 3.33Å; K174-K176 PolarHBondContact O-N 3.45Å; K176-R180 WeakPolarHBondContact O-CG 3.27Å; K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.15Å
177R89.4Confident84.6Confident118 Ų118108.1 Ų108.145%0.44549%0.493SS..Hα-helixtrans-68.1-44.5174.1-74.7-180-178.2-163.4-10.7111.1M173 K174 E175 R180 R181 E468M173-R177 WeakPolarHBondContact O-CG 3.33Å; M173-R177 PolarHBondContact O-N 3.26Å; K174-R177 PolarHBondContact O-N 3.2Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 PolarHBondContact O-N 2.98Å; R177-R180 PolarHBondContact O-N 2.87Å; R177-R181 PolarHBondContact O-N 2.98Å; R177-E468 IonicContact CZ-OE1 2.71Å; R177-E468 IonicContact CZ-OE2 2.81Å; R177-E468 VanDerWaalsContact CZ-OE2 3.27Å; R177-E468 IonicContact NH1-OE1 3.83Å; R177-E468 PolarHBondContact NH1-OE1 3.38Å; R177-E468 IonicContact NH1-OE2 3.95Å; R177-E468 PolarHBondContact NH1-OE2 3.27Å; R177-E468 IonicContact NH2-OE1 3.3Å; R177-E468 PolarHBondContact NH2-OE1 3.41Å; R177-E468 IonicContact NH2-OE2 3Å; R177-E468 PolarHBondContact NH2-OE2 3.42Å
178K91Very high82.9Confident104 Ų104108 Ų10845%0.45250%0.495SS..Hα-helixtrans-59.1-50.4176.4-177-175.7167-162.60111.6K174 E175 R180 R181 E182K174-K178 WeakPolarHBondContact O-CB 3.3Å; K174-K178 PolarHBondContact O-N 3.31Å; E175-K178 PolarHBondContact O-N 3.15Å; K178-R180 VanDerWaalsContact C-N 3.29Å; K178-R180 PolarHBondContact O-N 2.86Å; K178-R181 PolarHBondContact O-N 3.3Å; K178-E182 WeakPolarHBondContact CE-OE1 2.96Å; K178-E182 HydrophobicContact CG-CG 4.46Å; K178-E182 IonicContact NZ-OE1 3.43Å; K178-E182 WeakPolarHBondContact O-CG 3.24Å; K178-E182 PolarHBondContact O-N 2.84Å
179H83.7Confident81.3Confident116 Ų116110.2 Ų110.254%0.53751%0.512SS..Hα-helixtrans-62.1-33.8177.4-172.3-84.4000112.7E175 K183E175-H179 WeakPolarHBondContact O-CB 3.34Å; E175-H179 PolarHBondContact O-N 2.86Å; H179-K183 WeakPolarHBondContact O-CB 3.5Å; H179-K183 PolarHBondContact O-N 3.15Å
180R85.7Confident79.5Confident178 Ų178120.6 Ų120.667%0.67255%0.551SS**Hα-helixtrans-66.4-39.4172.3-82.3178.9175-107.8-0.7112.6K176 R177 K178 K184K176-R180 WeakPolarHBondContact O-CG 3.27Å; K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.15Å; R177-R180 PolarHBondContact O-N 2.87Å; K178-R180 VanDerWaalsContact C-N 3.29Å; K178-R180 PolarHBondContact O-N 2.86Å; R180-K184 WeakPolarHBondContact O-CB 3.43Å; R180-K184 PolarHBondContact O-N 3.05Å
181R82.9Confident77.8Confident179 Ų179120.6 Ų120.668%0.67556%0.558SS**Hα-helixtrans-69.8-47.5177.5-175.1175.5176.9-170.62.6111.4R177 K178 K183 K184 D185R177-R181 PolarHBondContact O-N 2.98Å; K178-R181 PolarHBondContact O-N 3.3Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 2.98Å; R181-K184 CarbonylContact O-C 3.59Å; R181-K184 WeakPolarHBondContact O-CA 3.23Å; R181-K184 WeakPolarHBondContact O-CB 3.46Å; R181-K184 PolarHBondContact O-N 3.45Å; R181-D185 IonicContact NE-OD2 3.56Å; R181-D185 PolarHBondContact O-N 3.45Å
182E79.3Confident76.2Confident96 Ų96122.6 Ų122.645%0.44957%0.569SS.*Hα-helixtrans-59.7-39.7175.4-70.7174.5170.400111.6K178 K184 D185 N186K178-E182 WeakPolarHBondContact CE-OE1 2.96Å; K178-E182 HydrophobicContact CG-CG 4.46Å; K178-E182 IonicContact NZ-OE1 3.43Å; K178-E182 WeakPolarHBondContact O-CG 3.24Å; K178-E182 PolarHBondContact O-N 2.84Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.3Å; E182-D185 PolarHBondContact O-N 3.34Å; E182-N186 WeakPolarHBondContact O-CB 3.47Å; E182-N186 PolarHBondContact O-N 2.94Å
183K75.1Confident74.7Confident151 Ų151125.2 Ų125.266%0.65758%0.578SS**Hα-helixtrans-66.6-30.6173.1-172.7171.5-179.6173.30113.2H179 R181 V187H179-K183 WeakPolarHBondContact O-CB 3.5Å; H179-K183 PolarHBondContact O-N 3.15Å; R181-K183 VanDerWaalsContact C-N 3.29Å; R181-K183 PolarHBondContact O-N 2.98Å; K183-V187 WeakPolarHBondContact O-CG2 3.48Å
184K71.6Confident73.5Confident163 Ų163128.6 Ų128.671%0.70960%0.603SS**Hα-helixtrans-75.3-41.6175.6-174.9179.1175.6-175.80111.2R180 R181 E182 V187R180-K184 WeakPolarHBondContact O-CB 3.43Å; R180-K184 PolarHBondContact O-N 3.05Å; R181-K184 CarbonylContact O-C 3.59Å; R181-K184 WeakPolarHBondContact O-CA 3.23Å; R181-K184 WeakPolarHBondContact O-CB 3.46Å; R181-K184 PolarHBondContact O-N 3.45Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.3Å; K184-V187 PolarHBondContact O-N 2.96Å
185D66.3Low72Confident110 Ų110133.7 Ų133.759%0.58862%0.619SS**Hα-helixtrans-73.3-28.3-179.1-66.2-18.7000111.9R181 E182 V187R181-D185 IonicContact NE-OD2 3.56Å; R181-D185 PolarHBondContact O-N 3.45Å; E182-D185 PolarHBondContact O-N 3.34Å; D185-V187 VanDerWaalsContact C-N 3.29Å; D185-V187 PolarHBondContact O-N 3.22Å
186N61.9Low70.7Confident144 Ų144137.9 Ų137.977%0.7764%0.636SS**THydrogen-bonded Turntrans-82.80.7174.9-150.5-9.5000113.5E182 N188E182-N186 WeakPolarHBondContact O-CB 3.47Å; E182-N186 PolarHBondContact O-N 2.94Å; N186-N188 PolarHBondContact O-N 3.46Å
187V62.5Low69Low71 Ų71138.7 Ų138.743%0.4365%0.645SS.*SBendtrans-83.291.6165.7173.80000107.7K183 K184 D185 P189 L192K183-V187 WeakPolarHBondContact O-CG2 3.48Å; K184-V187 PolarHBondContact O-N 2.96Å; D185-V187 VanDerWaalsContact C-N 3.29Å; D185-V187 PolarHBondContact O-N 3.22Å; V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.45Å; V187-P189 VanDerWaalsContact O-N 3.13Å; V187-L192 HydrophobicContact CG1-CD1 4.09Å; V187-L192 HydrophobicContact CG1-CD2 3.95Å; V187-L192 HydrophobicContact CG1-CG 4.15Å
188N61.1Low67.7Low82 Ų82141.1 Ų141.144%0.43966%0.658SS.*  trans-55.9115.9175-171.522.6000110.1N186 R190 T191N186-N188 PolarHBondContact O-N 3.46Å; N188-R190 PolarHBondContact O-N 3.05Å; N188-T191 PolarHBondContact O-N 2.91Å; N188-T191 VanDerWaalsContact O-N 3.11Å; N188-T191 PolarHBondContact O-OG1 3.18Å; N188-T191 VanDerWaalsContact O-OG1 3.06Å
189P59.6Low66.4Low102 Ų102139.6 Ų139.666%0.66266%0.658SS**G310 helixtrans-60.1-21.3-178.2-22.532.3000113.1V187 T191V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.45Å; V187-P189 VanDerWaalsContact O-N 3.13Å; P189-T191 VanDerWaalsContact C-N 3.33Å; P189-T191 PolarHBondContact O-N 3.41Å
190R57.3Low65.7Low228 Ų228143.1 Ų143.186%0.8667%0.667SS**G310 helixtrans-77.5-10.9-179.3-59.2-175.291.7107.1-2.3114.4N188N188-R190 PolarHBondContact O-N 3.05Å
191T56.9Low65Low93 Ų93141.5 Ų141.557%0.57166%0.664SS**G310 helixtrans-104.9-2.9175.3530000113.5N188 P189 H193N188-T191 PolarHBondContact O-N 2.91Å; N188-T191 VanDerWaalsContact O-N 3.11Å; N188-T191 PolarHBondContact O-OG1 3.18Å; N188-T191 VanDerWaalsContact O-OG1 3.06Å; P189-T191 VanDerWaalsContact C-N 3.33Å; P189-T191 PolarHBondContact O-N 3.41Å; T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 PolarHBondContact O-N 3.15Å; T191-H193 PolarHBondContact O-ND1 3.4Å
192L59.2Low64.2Low113 Ų113137.1 Ų137.159%0.59265%0.654SS**  trans-72.582.3171.5-65.8170.7000109.4V187 P194V187-L192 HydrophobicContact CG1-CD1 4.09Å; V187-L192 HydrophobicContact CG1-CD2 3.95Å; V187-L192 HydrophobicContact CG1-CG 4.15Å; L192-P194 WeakPolarHBondContact O-CD 3.37Å
193H60.6Low63.7Low163 Ų163138.1 Ų138.176%0.75566%0.659SS**  trans-58.4123.7160.5-68.375.7000106.8T191 R195T191-H193 VanDerWaalsContact C-N 3.26Å; T191-H193 PolarHBondContact O-N 3.15Å; T191-H193 PolarHBondContact O-ND1 3.4Å; H193-R195 PolarHBondContact O-N 3.34Å
194P62.7Low63.4Low116 Ų116138.8 Ų138.875%0.75366%0.658SS**  trans-49.3123.6173.1-24.832.5000108L192 K196L192-P194 WeakPolarHBondContact O-CD 3.37Å; P194-K196 PolarHBondContact O-N 3.41Å
195R62.8Low63.3Low241 Ų241136 Ų13691%0.90965%0.647SS**  trans-57.6107.5171.3-83.5-177.4174.9-179-1.3105.7H193 I197H193-R195 PolarHBondContact O-N 3.34Å; R195-I197 PolarHBondContact O-N 3.03Å
196K63.5Low63.5Low194 Ų194136.5 Ų136.584%0.84364%0.641SS**  trans-49.3120.6172.9-65.5-170.3-179.4-172.80106.4P194 K198P194-K196 PolarHBondContact O-N 3.41Å; K196-K198 VanDerWaalsContact C-N 3.35Å; K196-K198 PolarHBondContact O-N 2.76Å
197I56.8Low63.7Low151 Ų151133.1 Ų133.177%0.77462%0.622SS**  trans-59.2104.2176.1-65.3165.9000105.5R195 T199R195-I197 PolarHBondContact O-N 3.03Å; I197-T199 HydrophobicContact CG2-CG2 4.34Å; I197-T199 PolarHBondContact O-N 3.12Å
198K61.7Low64.1Low168 Ų168138 Ų13873%0.7364%0.638SS**  trans-70.3100.9170-82.3179.3168.9179.40105.9K196K196-K198 VanDerWaalsContact C-N 3.35Å; K196-K198 PolarHBondContact O-N 2.76Å
199T63.9Low64.3Low72 Ų72141 Ų14144%0.44265%0.651SS.*  trans-67.8143.5169.861.90000108.1I197 K201 D202I197-T199 HydrophobicContact CG2-CG2 4.34Å; I197-T199 PolarHBondContact O-N 3.12Å; T199-K201 PolarHBondContact O-N 2.98Å; T199-D202 PolarHBondContact O-N 3.38Å
200R67.5Low64.3Low190 Ų190137 Ų13772%0.71763%0.628SS**Hα-helixtrans-52-30.4177.9-153.3179-167.8170.42.9111.5D202 E203 W204R200-D202 PolarHBondContact O-N 2.93Å; R200-E203 WeakPolarHBondContact O-CB 3.41Å; R200-E203 PolarHBondContact O-N 3.35Å; R200-W204 PolarHBondContact O-N 2.92Å; R200-W204 VanDerWaalsContact O-N 3.09Å
201K71.6Confident64.2Low144 Ų144133 Ų13363%0.62662%0.619SS**Hα-helixtrans-57.6-44.3177-172.2-177.3173.9-171.80113.3T199 E203 W204 E205T199-K201 PolarHBondContact O-N 2.98Å; K201-E203 PolarHBondContact O-N 3.4Å; K201-W204 PolarHBondContact O-N 3.45Å; K201-E205 VanDerWaalsContact O-CB 3.31Å; K201-E205 WeakPolarHBondContact O-CB 3.5Å; K201-E205 PolarHBondContact O-N 2.95Å
202D67.3Low64.1Low87 Ų87135.8 Ų135.847%0.46563%0.626SS.*Hα-helixtrans-64-33178.7-79.9-0.3000111.9T199 R200 R206T199-D202 PolarHBondContact O-N 3.38Å; R200-D202 PolarHBondContact O-N 2.93Å; D202-R206 VanDerWaalsContact O-CB 3.27Å; D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 PolarHBondContact O-N 3.19Å; D202-R206 VanDerWaalsContact O-N 3.09Å
203E67.3Low63.7Low117 Ų117137.7 Ų137.755%0.54763%0.629SS.*Hα-helixtrans-71.5-43.7177.6-163.2172.4-142.500111.1R200 K201 R206 L207R200-E203 WeakPolarHBondContact O-CB 3.41Å; R200-E203 PolarHBondContact O-N 3.35Å; K201-E203 PolarHBondContact O-N 3.4Å; E203-R206 PolarHBondContact O-N 3.06Å; E203-L207 HydrophobicContact CG-CD1 4.46Å; E203-L207 WeakPolarHBondContact O-CD1 3.3Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 3.03Å
204W68.3Low63.4Low166 Ų166132.2 Ų132.263%0.62961%0.607SS**Hα-helixtrans-65.6-38.1173.8-75.6105.5000113R200 K201 R206 L207 K208R200-W204 PolarHBondContact O-N 2.92Å; R200-W204 VanDerWaalsContact O-N 3.09Å; K201-W204 PolarHBondContact O-N 3.45Å; W204-R206 VanDerWaalsContact C-N 3.33Å; W204-L207 PolarHBondContact O-N 3.37Å; W204-K208 PolarHBondContact O-N 2.99Å
205E70.7Confident62.9Low104 Ų104132.5 Ų132.549%0.48661%0.606SS.*Hα-helixtrans-70.8-32.1179.3-162.1163.9-130.300111.7K201 K208K201-E205 VanDerWaalsContact O-CB 3.31Å; K201-E205 WeakPolarHBondContact O-CB 3.5Å; K201-E205 PolarHBondContact O-N 2.95Å; E205-K208 WeakPolarHBondContact O-CB 3.29Å; E205-K208 PolarHBondContact O-N 2.88Å
206R69.9Low62.1Low120 Ų120126.4 Ų126.445%0.45360%0.598SS.*Hα-helixtrans-74.4-32173.2-157.1162.358.5142.110.7112.8D202 E203 W204 V214D202-R206 VanDerWaalsContact O-CB 3.27Å; D202-R206 WeakPolarHBondContact O-CB 3.44Å; D202-R206 PolarHBondContact O-N 3.19Å; D202-R206 VanDerWaalsContact O-N 3.09Å; E203-R206 PolarHBondContact O-N 3.06Å; W204-R206 VanDerWaalsContact C-N 3.33Å; R206-V214 HydrophobicContact CG-CG2 4.35Å
207L65.6Low61.2Low74 Ų74127.1 Ų127.139%0.38760%0.601SS.*Hα-helixtrans-72.9-27.1171.1-74161.3000112.6E203 W204 M209 G210E203-L207 HydrophobicContact CG-CD1 4.46Å; E203-L207 WeakPolarHBondContact O-CD1 3.3Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 3.03Å; W204-L207 PolarHBondContact O-N 3.37Å; L207-M209 PolarHBondContact O-N 2.87Å; L207-G210 PolarHBondContact O-N 3.29Å
208K71.4Confident60.3Low173 Ų173126.9 Ų126.975%0.75260%0.602SS**Hα-helixtrans-64.5-26.8174.1-178.1-176.6174.5-173.30112.9W204 E205 G210W204-K208 PolarHBondContact O-N 2.99Å; E205-K208 WeakPolarHBondContact O-CB 3.29Å; E205-K208 PolarHBondContact O-N 2.88Å; K208-G210 VanDerWaalsContact C-N 3.34Å
209M66.4Low59.1Low145 Ų145127.7 Ų127.771%0.71461%0.608SS**THydrogen-bonded Turntrans-86.41.4-179.8-63.9-65.6-71.700114L207L207-M209 PolarHBondContact O-N 2.87Å
210G58.8Low57.6Low17 Ų17133.4 Ų133.418%0.17563%0.627CS.*  trans106.3136.5-179.200000113.2L207 K208 E212 F213L207-G210 PolarHBondContact O-N 3.29Å; K208-G210 VanDerWaalsContact C-N 3.34Å; G210-E212 PolarHBondContact O-N 3.43Å; G210-F213 PolarHBondContact O-N 3.34Å
211Q54.3Low55.8Low146 Ų146132.3 Ų132.368%0.68264%0.635SS**G310 helixtrans-65.2-28.8-176.2-171.4102.59.500111.9F213 V214Q211-F213 PolarHBondContact O-N 3.23Å; Q211-V214 PolarHBondContact O-N 3.39Å
212E56.1Low53.8Low151 Ų151131.1 Ų131.171%0.70665%0.645SS**G310 helixtrans-65.8-12.6179.357.1-83.8174.600115.3G210G210-E212 PolarHBondContact O-N 3.43Å
213F51.3Low52.1Low153 Ų153132.1 Ų132.167%0.67166%0.659SS**G310 helixtrans-101.54.2179.1-65.2-78.9000114.3G210 Q211 V215G210-F213 PolarHBondContact O-N 3.34Å; Q211-F213 PolarHBondContact O-N 3.23Å; F213-V215 PolarHBondContact O-N 3.3Å
214V54.3Low50.7Low47 Ų47134.1 Ų134.129%0.28567%0.673SS.*  trans-87.791.2176.1-177.20000110R206 Q211 P216R206-V214 HydrophobicContact CG-CG2 4.35Å; Q211-V214 PolarHBondContact O-N 3.39Å; V214-P216 VanDerWaalsContact O-CD 3.28Å; V214-P216 WeakPolarHBondContact O-CD 3.44Å
215V51.6Low49Very low122 Ų122133 Ų13374%0.73968%0.684SS**  trans-63.6120.9172.7-178.30000109.8F213 K217F213-V215 PolarHBondContact O-N 3.3Å; V215-K217 PolarHBondContact O-N 2.81Å
216P45.3Very low47.4Very low113 Ų113135.4 Ų135.473%0.73470%0.7SS**  trans-66.9115.6175.4-16.830.7000109.7V214 N218V214-P216 VanDerWaalsContact O-CD 3.28Å; V214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-N218 VanDerWaalsContact C-N 3.26Å; P216-N218 PolarHBondContact O-N 3Å
217K44.3Very low45.5Very low209 Ų209137.1 Ų137.191%0.90972%0.718SS**  trans-82.976.8171-168.4173.2-177.4169.30108.9V215V215-K217 PolarHBondContact O-N 2.81Å
218N39.3Very low43.8Very low147 Ų147136.6 Ų136.679%0.78673%0.731SS**  trans-135.673.3161.2-165.645.2000109.1P216P216-N218 VanDerWaalsContact C-N 3.26Å; P216-N218 PolarHBondContact O-N 3Å
219E35.3Very low41.7Very low185 Ų185133.5 Ų133.586%0.86473%0.73SS**  trans-168.9110.5160.8-112.2172.4-15800109.5
220K33.7Very low40Very low192 Ų192134.5 Ų134.584%0.83574%0.737SS**  trans-148.699.6148.6-95.7-164.4176.4-171.50106.5
221N29.3Very low38.5Very low166 Ų166137.4 Ų137.489%0.88877%0.767SS**SBend-166.373.7122-97.323000109.1
222S30.2Very low37.4Very low120 Ų120136.8 Ų136.884%0.83978%0.778SS**  trans-162.5107.5146.7-168.70000108
223S31.9Very low36Very low108 Ų108133.3 Ų133.376%0.75578%0.783SS**  trans-163.669.7158.5670000108.7
224D36.3Very low34.9Very low159 Ų159135.7 Ų135.785%0.8580%0.796SS**  trans-87.4115139.2-78.7-44.4000105.5
225V33.5Very low33.7Very low142 Ų142136.9 Ų136.986%0.86182%0.818SS**  176.8126.3122.21730000107.8
226L36.6Very low32.7Very low155 Ų155140.3 Ų140.381%0.81282%0.823SS**  trans-61.6134.1176.5-79.2109.9000113.3
227N31.2Very low31.8Very low156 Ų156140 Ų14083%0.83482%0.816SS**  48117.2118.8-156.923.5000119.4
228G29.8Very low31.1Very low63 Ų63134.2 Ų134.265%0.64980%0.802SS**  112.7117.1125.100000117.9
229S27.3Very low30.6Very low107 Ų107133.8 Ų133.875%0.74880%0.799SS**  trans87.5125.6132.2-144.40000120
230I29.2Very low30.2Very low167 Ų167131 Ų13186%0.85679%0.79SS**  trans60.8134.8149.360.9166.5000121.3
231G28.3Very low30.1Very low77 Ų77128.2 Ų128.279%0.79478%0.784SS**  trans125108.5137.800000115.9
232S30.5Very low30.3Very low133 Ų133127.4 Ų127.493%0.9378%0.775SS**  trans-41.9151.1160.1-52.40000114.1
233G27.8Very low30.4Very low78 Ų78128.3 Ų128.380%0.80477%0.77SS**  trans166.6106.6161.500000114
234E28.3Very low30.4Very low203 Ų203127.8 Ų127.895%0.94977%0.766SS**  trans-65.4159.4173.9-57.4163.9164.300112.4
235G28.6Very low30Very low72 Ų72126.4 Ų126.474%0.74276%0.763SS**  trans118.5107.2141.200000119
236F29.6Very low29.7Very low194 Ų194126.7 Ų126.785%0.85176%0.76SS**  66.4115.5119.6-144.3-107.1000120.7
237N27.3Very low29.4Very low107 Ų107123.9 Ų123.957%0.57275%0.753SS**  trans62.2126.1131.2-80.7-43.2000121.6
238S29.3Very low29.4Very low88 Ų88128.1 Ų128.162%0.61576%0.76SS**  91.5138.498.1-1440000108.6
239D28.2Very low29.3Very low138 Ų138134.1 Ų134.174%0.73877%0.77SS**  cis-159.8174.829.5-96.2-66000108.1
240D28.1Very low29.5Very low126 Ų126137.5 Ų137.567%0.67477%0.772SS**  120.6106.7123.4-134.359.3000117.8
241L31.4Very low29.5Very low133 Ų133138.1 Ų138.170%0.69677%0.771SS**  trans58.9150.9133.3-97.789.9000119.6
242E33.5Very low30Very low149 Ų149139.9 Ų139.970%0.69677%0.768SS**  cis176.4156.5-19.9-128.9-165.8178.900104.8
243L32.1Very low30.7Very low140 Ų140137 Ų13773%0.73376%0.76SS**  trans70.8115.5139.1-148.768.4000120.3
244S32.5Very low31.3Very low97 Ų97139 Ų13968%0.67876%0.761SS**  trans29.1142.2134.8-47.10000120.6
245T26.9Very low32.1Very low130 Ų130134.8 Ų134.880%0.79875%0.752SS**  176124110-71.50000111.3
246D28.3Very low32.9Very low147 Ų147137 Ų13779%0.78675%0.753SS**  trans2.1144.1139.9-109.4-48.3000120.1
247S29.4Very low33.6Very low97 Ų97133.3 Ų133.368%0.67875%0.749SS**  165.7116118.145.70000112.1
248Y31Very low34.5Very low245 Ų245133.9 Ų133.996%0.96176%0.758SS**  trans-137.7132.4136.4-83.5-68.3000111.2
249H28.6Very low35Very low189 Ų189136 Ų13688%0.87577%0.769SS**  trans-75.2145.6-160.8-163.3-87.1000113.6
250F31.1Very low35.6Very low177 Ų177132.5 Ų132.578%0.77677%0.767SS**  trans-91.1152.1-178.6-152.6-95.2000111.6
251E29.4Very low36.2Very low180 Ų180132.4 Ų132.484%0.84177%0.773SS**  trans-116.7128.5165.6-166.3-170178.200108.8
252P38.6Very low36.3Very low114 Ų114132.8 Ų132.874%0.7478%0.776SS**  trans-99.9122.5-169.734.8-28000112.8
253G45.4Very low36.3Very low73 Ų73133 Ų13375%0.75378%0.781SS**  trans155.952.1165.100000118.4
254S38.8Very low36.6Very low119 Ų119133.2 Ų133.283%0.83278%0.782SS**  trans-154.4142.3160.7-80.60000111.6
255P45.4Very low36.9Very low116 Ų116135.5 Ų135.575%0.75379%0.786SS**PPolyproline II helixtrans-75.3150-174.230.5-33.6000112.2
256P45.6Very low37.7Very low119 Ų119134.7 Ų134.777%0.77378%0.783SS**PPolyproline II helixtrans-73.1142.7178.629-33000112
257P44.7Very low38.6Very low116 Ų116133.4 Ų133.475%0.75378%0.782SS**PPolyproline II helixtrans-72.8155.5169.230.8-32.1000111.4
258P45.5Very low39.2Very low119 Ų119134.4 Ų134.477%0.77379%0.786SS**PPolyproline II helixtrans-73.8155.6-171.930.9-34.9000113
259P40.8Very low39.8Very low131 Ų131128.4 Ų128.485%0.85178%0.777SS**PPolyproline II helixtrans-74.9131.1-179.230.1-32.1000111.6
260G40.5Very low40.4Very low66 Ų66125.3 Ų125.368%0.6877%0.774SS**PPolyproline II helixtrans-83.1159.3166.600000111.8
261P41.4Very low40.5Very low123 Ų123124.8 Ų124.880%0.79978%0.78SS**PPolyproline II helixtrans-82.9130.9-167.332.7-32.4000113.1
262D32.1Very low40.8Very low142 Ų142123.1 Ų123.176%0.75978%0.782SS**  trans24103.5144.5-58.7-53000119.2I264D262-I264 HydrophobicContact CB-CG1 4.43Å
263D33.1Very low40.5Very low153 Ų153121.5 Ų121.582%0.81878%0.778SS**  trans-102.989.1158.2-142.8-26.4000107.9L265D263-L265 PolarHBondContact O-N 2.84Å
264I38.8Very low39.8Very low145 Ų145127.5 Ų127.574%0.74478%0.784SS**  trans-85.7101.7175.6-64.8167.5000107.7D262D262-I264 HydrophobicContact CB-CG1 4.43Å
265L39.7Very low39.3Very low144 Ų144128.6 Ų128.675%0.75478%0.78SS**PPolyproline II helixtrans-80.9136.5165.3-66.1173.3000110.1D263D263-L265 PolarHBondContact O-N 2.84Å
266P43.6Very low38.5Very low114 Ų114130.1 Ų130.174%0.7478%0.782SS**PPolyproline II helixtrans-76.7148.4174.930.1-32.3000112.4
267P47.6Very low37.7Very low119 Ų119127.4 Ų127.477%0.77378%0.776SS**PPolyproline II helixtrans-78.7157.4-176.731.5-35.4000114
268P42.3Very low36.9Very low118 Ų118127.4 Ų127.477%0.76678%0.778SS**PPolyproline II helixtrans-73.2154176.130.8-34.5000112.8
269P42.9Very low36.2Very low119 Ų119126.3 Ų126.377%0.77378%0.78SS**PPolyproline II helixtrans-78155.8-176.632.1-34000113.3
270P41.4Very low35.8Very low125 Ų125124.6 Ų124.681%0.81278%0.777SS**PPolyproline II helixtrans-83.6146.9-169.832.3-34.4000114.8
271D33.7Very low35.5Very low166 Ų166130.3 Ų130.389%0.88879%0.785SS**PPolyproline II helixtrans-67.8140.2171.6-72.6-49.7000113
272T34Very low35.2Very low145 Ų145133.5 Ų133.589%0.8979%0.789SS**  trans-117.9133162.551.30000110
273A32.4Very low35.1Very low79 Ų79137.7 Ų137.765%0.65379%0.794SS**  trans-102.7167.5-160.800000115.7
274F30.9Very low35Very low199 Ų199136.7 Ų136.787%0.87379%0.793SS**  trans74.7139.1163-66.9-81.4000117.4
275N28.2Very low34.6Very low142 Ų142134.4 Ų134.476%0.75979%0.79SS**  cis-159.6155.325.6-171.839.9000112.7
276D29.5Very low34.5Very low149 Ų149135.5 Ų135.580%0.79779%0.794SS**  trans-23153.8167.7-1523.9000122.1
277G27.8Very low34.1Very low62 Ų62138.3 Ų138.364%0.63980%0.802SS**  trans153.479.3164.200000119.1
278S29.4Very low33.6Very low115 Ų115138 Ų13880%0.80480%0.802SS**  trans58.4129.4138.858.80000125
279A29.4Very low33.4Very low97 Ų97138.5 Ų138.580%0.80281%0.805SS**  trans75.1110.9136.600000122.2
280A33.9Very low33.5Very low95 Ų95139.1 Ų139.179%0.78581%0.807SS**  trans24.1124.3139.500000120.5
281Q33.8Very low33.6Very low185 Ų185141.5 Ų141.586%0.86481%0.807SS**  -172.6130.1122.6-102.7175.513.700113.4
282H33.8Very low34.5Very low190 Ų190138.6 Ų138.688%0.8880%0.797SS**  trans-58.8127.6158.2-114-97.9000109.9
283R30.4Very low35.5Very low231 Ų231137.2 Ų137.287%0.87279%0.791SS**  trans-153.6138.3145.6-76.8-148.4176.4-155.5-1.4112.9
284V31.8Very low36.3Very low131 Ų131139.4 Ų139.479%0.79480%0.798SS**  trans-71.6164.6166.8-77.70000112.1
285S30.7Very low37.2Very low97 Ų97134.3 Ų134.368%0.67879%0.793SS**  trans92.9121.3151.8-105.10000119.9
286M37.2Very low38.6Very low168 Ų168133 Ų13383%0.82879%0.792SS**  trans54.2116.3130.3-46.8-86.7-155.900117.9
287L35.7Very low39.4Very low173 Ų173131.6 Ų131.691%0.90679%0.791SS**  159.4133.6128.6-81.4160.1000110.4
288S35.4Very low40.1Very low111 Ų111134 Ų13478%0.77680%0.798SS**  trans-62.6145.3175-56.10000112.9
289P39.8Very low40.6Very low129 Ų129137.2 Ų137.284%0.83880%0.803SS**  trans-87.9113.7162.2-10.728.6000111.5H291P289-H291 PolarHBondContact O-N 2.88Å
290T45.1Very low41.3Very low133 Ų133137.5 Ų137.582%0.81680%0.799SS**  trans-74.895161.539.70000110
291H42.2Very low42Very low175 Ų175138.6 Ų138.681%0.8180%0.798SS**  trans-174.1134.1151.2-123.6-114.2000110.5P289P289-H291 PolarHBondContact O-N 2.88Å
292P52.9Low42.7Very low105 Ų105135 Ų13568%0.68279%0.791SS**PPolyproline II helixtrans-74149.2170.830.2-31.2000110.9
293P54.3Low43.1Very low116 Ų116131.8 Ų131.875%0.75379%0.787SS**PPolyproline II helixtrans-65.8152.7173.428.1-33.5000111.4
294P49.7Very low43.9Very low125 Ų125128.3 Ų128.381%0.81279%0.785SS**PPolyproline II helixtrans-68145.4-179.428-32.7000111.7
295A50.3Low44.3Very low91 Ų91127.9 Ų127.975%0.75279%0.788SS**PPolyproline II helixtrans-64.1146.817800000112.1
296P56.9Low44.9Very low115 Ų115134.6 Ų134.675%0.74780%0.798SS**PPolyproline II helixtrans-66148.8173.927.7-33.4000111.3S298P296-S298 PolarHBondContact O-N 2.87Å
297P47.3Very low45.1Very low120 Ų120132.3 Ų132.378%0.77980%0.796SS**PPolyproline II helixtrans-64.1133-17825-32.3000111.5M299P297-M299 PolarHBondContact O-N 3.34Å
298S42.3Very low45.3Very low112 Ų112131 Ų13178%0.78379%0.79SS**  trans-61.4114172.557.90000110.1P296 S300P296-S298 PolarHBondContact O-N 2.87Å; S298-S300 PolarHBondContact O-N 3.44Å
299M39.3Very low45.8Very low183 Ų183133.6 Ų133.690%0.90180%0.795SS**  trans-79107.7169.7-65.8-175.478.900109.1P297P297-M299 PolarHBondContact O-N 3.34Å
300S44.1Very low46.3Very low102 Ų102131.7 Ų131.771%0.71378%0.784SS**PPolyproline II helixtrans-60.7137.7161.5-52.50000109.6S298S298-S300 PolarHBondContact O-N 3.44Å
301P48.8Very low46.8Very low118 Ų118130.9 Ų130.977%0.76678%0.781SS**PPolyproline II helixtrans-73.5148.8175.528.4-30.9000111.3
302P47.9Very low47.8Very low111 Ų111128 Ų12872%0.72178%0.778SS**PPolyproline II helixtrans-71.1148.9-178.528.1-33.6000112.5N304P302-N304 PolarHBondContact O-N 2.94Å; P302-N304 VanDerWaalsContact O-N 3.16Å
303P43.9Very low48.2Very low122 Ų122129 Ų12979%0.79278%0.784SS**SBendtrans-85.988.4178.334.4-29.2000109.4
304N46.4Very low48.5Very low158 Ų158127.9 Ų127.985%0.84579%0.785SS**  trans173.693.6148-98.3-10.3000109.8P302P302-N304 PolarHBondContact O-N 2.94Å; P302-N304 VanDerWaalsContact O-N 3.16Å
305S40.8Very low49.4Very low121 Ų121127.3 Ų127.385%0.84678%0.781SS**  trans-147.1130.3160.2-64.10000107.6
306R42.7Very low50.3Low238 Ų238128.5 Ų128.590%0.89878%0.781SS**  trans-49.9154.4-173.6-78170.6166.6179.6-5.1113.8N308R306-N308 PolarHBondContact O-N 3.18Å
307P41.8Very low50.8Low121 Ų121128.6 Ų128.679%0.78678%0.782SS**  trans-60.3130.8-178.223.5-32.1000112.2L309P307-L309 PolarHBondContact O-N 3.2Å
308N39.1Very low51.8Low144 Ų144128.4 Ų128.477%0.7778%0.781SS**  trans-42.9110.3168.5-165.49.4000111.9R306R306-N308 PolarHBondContact O-N 3.18Å
309L45.6Very low53Low167 Ų167128.5 Ų128.587%0.87478%0.779SS**  trans-104.298.8161.3-71.6177.1000107.3P307P307-L309 PolarHBondContact O-N 3.2Å
310S51.4Low54.2Low88 Ų88124.9 Ų124.962%0.61577%0.769SS**PPolyproline II helixtrans-59.3139.2168.2-38.20000109.3
311P55.9Low54.8Low117 Ų117126.1 Ų126.176%0.7677%0.774SS**PPolyproline II helixtrans-62.2140.8166.726.9-31000108.7
312P62.3Low55.1Low115 Ų115126.8 Ų126.875%0.74778%0.782SS**PPolyproline II helixtrans-63.4150179.726.8-33.2000110.5
313P62Low55.6Low125 Ų125124.3 Ų124.381%0.81278%0.776SS**PPolyproline II helixtrans-60.7141175.824.9-31.3000110.3
314A60.6Low55.8Low92 Ų92128.4 Ų128.476%0.7678%0.782SS**PPolyproline II helixtrans-58.5141.6176.500000110.8
315P67.8Low56Low114 Ų114125.2 Ų125.274%0.7478%0.778SS**PPolyproline II helixtrans-64.4149.117826.7-33.3000111.2
316P70.1Confident56.9Low115 Ų115125.1 Ų125.175%0.74777%0.774SS**PPolyproline II helixtrans-62.9151.7177.326.7-33.6000111.3
317P66.9Low57.7Low117 Ų117119.2 Ų119.276%0.7677%0.767SS**PPolyproline II helixtrans-61147.3178.225.7-33.6000111.3
318P68.2Low58.7Low117 Ų117119.1 Ų119.176%0.7677%0.766SS**PPolyproline II helixtrans-62.9147.4179.226.2-33.4000111.3
319P67.1Low59.9Low114 Ų114117.6 Ų117.674%0.7476%0.764SS**PPolyproline II helixtrans-62.7147.3176.326.6-33.2000110.8
320P64.3Low60Low107 Ų107115.9 Ų115.970%0.69576%0.763SS**PPolyproline II helixtrans-61.5148.2175.726.6-33.4000110.4S322P320-S322 PolarHBondContact O-N 3.26Å
321P57.6Low59.6Low127 Ų127118.9 Ų118.983%0.82578%0.778SS**PPolyproline II helixtrans-60.2116.3178.823-31.2000110.3G323P321-G323 PolarHBondContact O-N 3.03Å
322S55.6Low58.9Low132 Ų132117 Ų11792%0.92378%0.779SS**SBendtrans-58.2104.8168.6-50.20000109P320P320-S322 PolarHBondContact O-N 3.26Å
323G56.8Low57.7Low59 Ų59120.7 Ų120.761%0.60878%0.784SS**  trans-179.3-5-179.500000119.6P321P321-G323 PolarHBondContact O-N 3.03Å
324F48.1Very low56.6Low208 Ų208121.6 Ų121.691%0.91278%0.782SS**  trans-134.1116.8174.3-81.3-88.3000111
325A51.6Low55.6Low92 Ų92120.7 Ų120.776%0.7678%0.782SS**PPolyproline II helixtrans-58.8144.2173.300000110.6
326P59.3Low54.7Low118 Ų118122.9 Ų122.977%0.76679%0.785SS**PPolyproline II helixtrans-64.3143.9171.927.1-32.6000110.2
327P59Low53.5Low115 Ų115123.1 Ų123.175%0.74779%0.787SS**PPolyproline II helixtrans-64.5149.1174.328.3-33.2000110.4
328P63.5Low52.9Low119 Ų119122.8 Ų122.877%0.77379%0.788SS**PPolyproline II helixtrans-65.9147.5-178.527.5-33.9000111.7
329P63.5Low52.4Low112 Ų112123 Ų12373%0.72779%0.789SS**PPolyproline II helixtrans-71.3150.917629.5-33.9000111.6T331P329-T331 PolarHBondContact O-N 3.47Å
330P49.5Very low52Low131 Ų131123.4 Ų123.485%0.85179%0.791SS**PPolyproline II helixtrans-67.7132.517128-31.3000110.2G332P330-G332 PolarHBondContact O-N 3.24Å
331T41.9Very low51.8Low151 Ų151123.8 Ų123.893%0.92679%0.794SS**PPolyproline II helixtrans-65.2123.3173.234.70000111.6P329P329-T331 PolarHBondContact O-N 3.47Å
332G41Very low51.5Low76 Ų76122.6 Ų122.678%0.78479%0.786SS**  trans176.270.5171.800000114.2P330P330-G332 PolarHBondContact O-N 3.24Å
333F37Very low51.2Low194 Ų194122.2 Ų122.285%0.85178%0.784SS**  trans-58146.3150.2-110.8-131000107.5
334D39.8Very low51.1Low143 Ų143128 Ų12877%0.76579%0.792SS**  cis-165143.830.4-101.7-52.1000107.2
335G38.6Very low51.2Low73 Ų73124 Ų12475%0.75379%0.787SS**  trans176.1101.4169.900000113.3
336I50Low51.5Low160 Ų160124.8 Ų124.882%0.82179%0.787SS**PPolyproline II helixtrans-56.1136.7170.5-63160.6000109.5S338I336-S338 PolarHBondContact O-N 3.07Å
337P44.7Very low51.4Low120 Ų120124.8 Ų124.878%0.77979%0.787SS**PPolyproline II helixtrans-77.6120176.129.8-30.8000110.9
338S53Low51.2Low111 Ų111125.3 Ų125.378%0.77679%0.791SS**PPolyproline II helixtrans-73.5146.3168.5-59.30000111.3I336I336-S338 PolarHBondContact O-N 3.07Å
339P59.1Low51Low121 Ų121124.1 Ų124.179%0.78679%0.791SS**PPolyproline II helixtrans-70.6153.5178.229.5-34.1000112.3
340P57.9Low50.9Low122 Ų122124.3 Ų124.379%0.79279%0.792SS**PPolyproline II helixtrans-73.1144.4-176.329.9-33.9000112.2
341P59.5Low51.5Low115 Ų115123.7 Ų123.775%0.74779%0.788SS**PPolyproline II helixtrans-75.1156.417530.5-33.3000112.2
342P52.1Low52.1Low103 Ų103122.2 Ų122.267%0.66978%0.781SS**PPolyproline II helixtrans-69.5135.6179.826.6-32.5000112.6F344P342-F344 HydrophobicContact CG-CE2 4.5Å; P342-F344 PolarHBondContact O-N 3.15Å
343S49.3Very low53Low124 Ų124124.1 Ų124.187%0.86778%0.78SS**PPolyproline II helixtrans-69.5119.1177.9-49.90000111.8
344F55.5Low53.6Low180 Ų180120.7 Ų120.779%0.78978%0.777SS**PPolyproline II helixtrans-98.6145164-71.1-83.9000110.1P342 S346P342-F344 HydrophobicContact CG-CE2 4.5Å; P342-F344 PolarHBondContact O-N 3.15Å; F344-S346 PolarHBondContact O-N 3.22Å
345P49.1Very low54.1Low123 Ų123122 Ų12280%0.79978%0.784SS**PPolyproline II helixtrans-71.5127.3179.627.5-32000111.5
346S57.8Low54.2Low110 Ų110126.9 Ų126.977%0.76979%0.789SS**PPolyproline II helixtrans-65.6144.8174.4-49.70000111.8F344F344-S346 PolarHBondContact O-N 3.22Å
347P58.1Low54Low117 Ų117124.5 Ų124.576%0.7679%0.793SS**PPolyproline II helixtrans-69.8156.2173.629.6-33000111.6
348P55.5Low53.8Low127 Ų127128 Ų12883%0.82580%0.801SS**PPolyproline II helixtrans-69.9144.4-176.428.3-32.4000112
349A59Low53.7Low93 Ų93126.6 Ų126.677%0.76980%0.796SS**PPolyproline II helixtrans-68.4146.6179.100000112.3
350P60.8Low53.5Low117 Ų117126.6 Ų126.676%0.7680%0.797SS**PPolyproline II helixtrans-70.5155.5175.529-33.3000112.3
351P61.6Low53.4Low118 Ų118126.5 Ų126.577%0.76680%0.796SS**PPolyproline II helixtrans-70154.2-179.129.4-34.3000112.5
352P55.7Low53.2Low119 Ų119126.6 Ų126.677%0.77380%0.797SS**PPolyproline II helixtrans-71.5150.618029.7-34.1000112.3
353P60Low53.4Low117 Ų117127.1 Ų127.176%0.7680%0.8SS**PPolyproline II helixtrans-72.8157.9175.230.7-33.5000112.2
354P49.5Very low53.5Low121 Ų121126.9 Ų126.979%0.78680%0.796SS**PPolyproline II helixtrans-74.3146.8-17829.6-32.7000113M356P354-M356 PolarHBondContact O-N 2.97Å
355D49.1Very low53Low171 Ų171126.4 Ų126.491%0.91480%0.8SS**PPolyproline II helixtrans-47.7118.4177.1-97.3-41.1000113
356M40.7Very low52.6Low176 Ų176126.8 Ų126.887%0.86780%0.8SS**  trans-114.5128.9157.2-72.3-157.5-169.400109.3P354 M358P354-M356 PolarHBondContact O-N 2.97Å; M356-M358 PolarHBondContact O-N 3.25Å
357A46.6Very low51.7Low109 Ų109128.2 Ų128.290%0.90180%0.804SS**  trans-47126.9-177.400000113.6
358M39.3Very low51.1Low193 Ų193126.9 Ų126.995%0.95181%0.811SS**  trans-88.4115.7179.8-148.515272.500110.4M356M356-M358 PolarHBondContact O-N 3.25Å
359A51.9Low50.4Low82 Ų82124.6 Ų124.668%0.67881%0.811SS**PPolyproline II helixtrans-66.3157.2164.900000111.1
360P54.6Low50.1Low122 Ų122123.7 Ų123.779%0.79281%0.81SS**PPolyproline II helixtrans-74155.9-176.830.4-34000112.9
361P56.4Low49.9Very low119 Ų119123.8 Ų123.877%0.77381%0.811SS**PPolyproline II helixtrans-78.2157.9-173.532.6-35000113.4
362P54.8Low49.8Very low118 Ų118123.7 Ų123.777%0.76681%0.811SS**PPolyproline II helixtrans-77.6156.6177.932.5-34000113
363P56.8Low50.4Low114 Ų114123.7 Ų123.774%0.7481%0.81SS**PPolyproline II helixtrans-79157.8-17732.1-34.6000113.5
364P51.5Low50.7Low119 Ų119123.6 Ų123.677%0.77381%0.81SS**PPolyproline II helixtrans-78.5145.3-179.730.9-32.8000113.1
365I45.1Very low51.7Low170 Ų170123.2 Ų123.287%0.87281%0.808SS**PPolyproline II helixtrans-76125.7176.3-55.1165.7000108.9
366T39.4Very low52.7Low131 Ų131120.7 Ų120.780%0.80480%0.8SS**PPolyproline II helixtrans-96.9122.317853.50000111.1
367T39.2Very low54.2Low140 Ų140117.8 Ų117.886%0.85980%0.795SS**PPolyproline II helixtrans-77.5140.9162.942.70000110
368G45Very low55.3Low88 Ų88118 Ų11891%0.90779%0.787SS**SBendtrans-62.1151.2-162.700000118.2
369G41Very low56.9Low80 Ų80114.4 Ų114.483%0.82578%0.778SS**  trans154.280.8174.200000110.1
370G54Low57.7Low73 Ų73115.9 Ų115.975%0.75378%0.781SS**PPolyproline II helixtrans-68147.7-178.500000112.9
371P56.7Low58.3Low120 Ų120116.3 Ų116.378%0.77978%0.784SS**PPolyproline II helixtrans-72.9154175.430.7-33.4000111.6
372P58.9Low58.7Low116 Ų116113.7 Ų113.775%0.75378%0.778SS**PPolyproline II helixtrans-63.1151.4175.327.4-34.1000111.4
373P68.1Low59.3Low118 Ų118113.9 Ų113.977%0.76678%0.779SS**PPolyproline II helixtrans-65.1148.3-178.627.1-34.1000112
374P67Low59.6Low115 Ų115114 Ų11475%0.74778%0.78SS**PPolyproline II helixtrans-67.5152.3177.728.3-34.3000111.9
375P69.3Low60Low114 Ų114113.9 Ų113.974%0.7478%0.779SS**PPolyproline II helixtrans-64152.2174.127.7-34000111.5
376P71.1Confident60.7Low117 Ų117111.2 Ų111.276%0.7677%0.773SS**PPolyproline II helixtrans-64.2148.3179.126.6-33.6000111.7
377P71.8Confident61.2Low115 Ų115110.8 Ų110.875%0.74777%0.772SS**PPolyproline II helixtrans-65.1148.9177.927.2-33.8000111.6
378P69.9Low61.5Low115 Ų115108.9 Ų108.975%0.74776%0.764SS**PPolyproline II helixtrans-63.7148.8173.327.3-33.4000111
379P71.7Confident61.3Low116 Ų116112.3 Ų112.375%0.75376%0.762SS**PPolyproline II helixtrans-63.4148.8178.226.6-33.4000111.2
380P70.3Confident61.4Low114 Ų114118.8 Ų118.874%0.7476%0.763SS**PPolyproline II helixtrans-62.2149.817925.7-33.4000111.4G382P380-G382 PolarHBondContact O-N 3.35Å
381P66.3Low60.5Low131 Ų131121 Ų12185%0.85177%0.767SS**PPolyproline II helixtrans-56132.3171.3-19.730.6000110.5
382G64.4Low59.8Low63 Ų63119.5 Ų119.565%0.64977%0.765SS**PPolyproline II helixtrans-61.8157.4175.300000112.2P380P380-G382 PolarHBondContact O-N 3.35Å
383P67.2Low59.3Low123 Ų123119.7 Ų119.780%0.79977%0.766SS**PPolyproline II helixtrans-61.9147.6178.925.7-33.1000111.4
384P63Low58.6Low115 Ų115119.7 Ų119.775%0.74777%0.766SS**PPolyproline II helixtrans-62.9150.1175.127.1-33.6000111.1
385P60.6Low57.9Low118 Ų118120 Ų12077%0.76677%0.768SS**PPolyproline II helixtrans-63.3148.2177.426.7-33.6000111.5
386P59.5Low57.4Low113 Ų113120.2 Ų120.273%0.73477%0.77SS**PPolyproline II helixtrans-66.6150.1178.228.2-34.1000111.5S388P386-S388 PolarHBondContact O-N 2.86Å
387P51.2Low56.4Low123 Ų123120.7 Ų120.780%0.79977%0.773SS**PPolyproline II helixtrans-68.6127.3176.828.1-31.9000110.2D389P387-D389 PolarHBondContact O-N 3.4Å
388S44.4Very low54.8Low99 Ų99123.1 Ų123.169%0.69278%0.778SS**PPolyproline II helixtrans-68.9119.7171.1-49.50000110P386 Y390P386-S388 PolarHBondContact O-N 2.86Å; S388-Y390 PolarHBondContact O-N 3.31Å
389D40Very low53.1Low160 Ų160123.6 Ų123.686%0.85678%0.784SS**PPolyproline II helixtrans-55.5117.3165.2-76.5-53.8000110.4P387P387-D389 PolarHBondContact O-N 3.4Å
390Y43.2Very low51.2Low217 Ų217122.2 Ų122.285%0.85179%0.79SS**  trans-122.7112.1158.6-81-76.8000110.1S388S388-Y390 PolarHBondContact O-N 3.31Å
391S36.8Very low49.3Very low119 Ų119120.8 Ų120.883%0.83280%0.796SS**PPolyproline II helixtrans-49.6139.2176.8-162.20000113.6
392A41.1Very low47.5Very low88 Ų88118.1 Ų118.173%0.72779%0.793SS**PPolyproline II helixtrans-61146.3168.600000112.2
393P48.7Very low46Very low121 Ų121124 Ų12479%0.78681%0.808SS**PPolyproline II helixtrans-87.4148.1168.632.4-30000112.4
394P51.9Low44.3Very low118 Ų118122.5 Ų122.577%0.76681%0.806SS**PPolyproline II helixtrans-86.4165.9-177.535.7-34.5000113.4
395P53.1Low43.8Very low120 Ų120122.9 Ų122.978%0.77981%0.809SS**PPolyproline II helixtrans-86.1157.8-175.435.3-34.5000113.2
396P58.4Low42.4Very low120 Ų120122.4 Ų122.478%0.77981%0.808SS**PPolyproline II helixtrans-91160.6170.234.8-30.7000113.3
397P49.8Very low41Very low127 Ų127122.5 Ų122.583%0.82581%0.811SS**PPolyproline II helixtrans-95.2163.7-160.537.6-34.8000115
398I38.1Very low40.3Very low166 Ų166121 Ų12185%0.85181%0.809SS**PPolyproline II helixtrans-96.4134.8172.4-59.8168000109.4
399S35.9Very low40.5Very low125 Ų125122 Ų12287%0.87481%0.813SS**  trans-151.7133.8157.4-86.70000110
400G31.6Very low40.2Very low87 Ų87124.2 Ų124.290%0.89782%0.815SS**  trans-91.8-177.7-164.600000117.3
401G29Very low40.3Very low84 Ų84119.1 Ų119.187%0.86681%0.809SS**  trans164.2117.2170.500000110.6
402G29Very low40.1Very low75 Ų75122.2 Ų122.277%0.77381%0.81SS**  trans-90.7179-16300000117.6
403L32.5Very low40.1Very low186 Ų186123.2 Ų123.297%0.97481%0.809SS**  trans162.1138.9130.9-81.8169.7000110
404A33.3Very low39.8Very low91 Ų91121.6 Ų121.675%0.75281%0.807SS**  trans-89.1-163.9-176.400000112.2
405P51.6Low39.3Very low124 Ų124122.1 Ų122.181%0.80581%0.81SS**  cis-128.1175.7-43.225.8-4.9000112.7
406S30.8Very low38.9Very low108 Ų108123.3 Ų123.376%0.75581%0.814SS**  146.1136.9127.1-166.70000116.5
407S31.2Very low38.5Very low114 Ų114122.5 Ų122.580%0.79781%0.812SS**  trans84.6115.7153.971.50000120.7
408A36.8Very low38.9Very low92 Ų92121.8 Ų121.876%0.7680%0.801SS**  trans-101-173.915900000109
409P48.5Very low40.2Very low119 Ų119116.5 Ų116.577%0.77379%0.787SS**  cis-137.5169.2-12.437.3-19.3000114.8
410K31.9Very low41.6Very low207 Ų207119.5 Ų119.590%0.978%0.779SS**  trans175.1163138.8-99.9-175.4176.4171.80113.4
411P45.9Very low43.6Very low110 Ų110118.4 Ų118.471%0.71476%0.758SS**  trans-113.5164.3-134.742-32.8000115.2
412Q32.9Very low45.5Very low184 Ų184119.2 Ų119.286%0.8674%0.742SS**  trans173.9171.8152.5-99.2-152.5-11.800111.1
413P41.5Very low47.7Very low109 Ų109120.7 Ų120.771%0.70873%0.732SS**  -123.8-180-72.330-7.2000112.4
414A41.3Very low49.7Very low88 Ų88116.2 Ų116.273%0.72771%0.708SS**PPolyproline II helixtrans-58.3149.5179.300000113.9V416A414-V416 PolarHBondContact O-N 2.87Å
415P43Very low51.5Low129 Ų129116.7 Ų116.784%0.83870%0.695SS**PPolyproline II helixtrans-69.6128.6-17927.4-32.4000111.8S417P415-S417 PolarHBondContact O-N 3.2Å
416V43.3Very low52.5Low144 Ų144113.1 Ų113.187%0.87368%0.676SS**PPolyproline II helixtrans-58.6121.8172.7-83.40000111.4A414A414-V416 PolarHBondContact O-N 2.87Å
417S50.6Low54.3Low104 Ų104113.4 Ų113.473%0.72767%0.668SS**PPolyproline II helixtrans-68124.4165.8175.70000109.1P415 G419P415-S417 PolarHBondContact O-N 3.2Å; S417-G419 PolarHBondContact O-N 3.14Å
418D58.9Low56.3Low112 Ų112118.5 Ų118.560%0.59967%0.67SS**  trans-72.2109.8-178.3-167.3-0.4000109.9R420 S421 D422D418-R420 PolarHBondContact O-N 3.11Å; D418-S421 VanDerWaalsContact O-CB 3.31Å; D418-S421 WeakPolarHBondContact O-CB 3.18Å; D418-S421 PolarHBondContact O-N 2.74Å; D418-D422 PolarHBondContact O-N 3.25Å
419G65.6Low58Low54 Ų54121.2 Ų121.256%0.55767%0.667SS**Hα-helixtrans-58.3-16.5-175.300000114.4S417 L423S417-G419 PolarHBondContact O-N 3.14Å; G419-L423 WeakPolarHBondContact O-CB 3.21Å; G419-L423 PolarHBondContact O-N 3.36Å; G419-L423 VanDerWaalsContact O-N 3.11Å
420R64.4Low58.7Low189 Ų189117.8 Ų117.871%0.71365%0.653SS**Hα-helixtrans-73-35.6172.4-171.4177.5-179.6134.30.5112.8D418 L424D418-R420 PolarHBondContact O-N 3.11Å; R420-L424 HydrophobicContact CG-CD1 4.42Å; R420-L424 VanDerWaalsContact O-CG 3.31Å; R420-L424 WeakPolarHBondContact O-CG 3.37Å; R420-L424 PolarHBondContact O-N 3.22Å; R420-L424 VanDerWaalsContact O-N 3.1Å
421S72.9Confident60.4Low64 Ų64116.9 Ų116.945%0.44865%0.649SS.*Hα-helixtrans-65.7-43.4175.2173.60000110.6D418 L424 Q425D418-S421 VanDerWaalsContact O-CB 3.31Å; D418-S421 WeakPolarHBondContact O-CB 3.18Å; D418-S421 PolarHBondContact O-N 2.74Å; S421-L424 PolarHBondContact O-N 3.11Å; S421-Q425 PolarHBondContact O-N 2.83Å
422D70.6Confident60.8Low100 Ų100119.2 Ų119.254%0.53566%0.656SS.*Hα-helixtrans-66.7-41.1180-161.330.7000111.5D418 L424 Q425 A426D418-D422 PolarHBondContact O-N 3.25Å; D422-L424 PolarHBondContact O-N 2.69Å; D422-Q425 PolarHBondContact O-N 2.89Å; D422-A426 WeakPolarHBondContact O-CB 3.44Å; D422-A426 PolarHBondContact O-N 3.48Å
423L73.3Confident61.5Low107 Ų107117.7 Ų117.756%0.5665%0.653SS**Hα-helixtrans-61.7-42173.2-17863.1000112.4G419 Q425 A426 I427G419-L423 WeakPolarHBondContact O-CB 3.21Å; G419-L423 PolarHBondContact O-N 3.36Å; G419-L423 VanDerWaalsContact O-N 3.11Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; L423-A426 PolarHBondContact O-N 3.31Å; L423-I427 HydrophobicContact CD1-CD1 4.27Å; L423-I427 HydrophobicContact CG-CD1 4Å; L423-I427 WeakPolarHBondContact O-CD1 3.21Å; L423-I427 VanDerWaalsContact O-CG1 3.22Å; L423-I427 WeakPolarHBondContact O-CG1 3.39Å; L423-I427 PolarHBondContact O-N 3.47Å
424L74.9Confident62.4Low91 Ų91123.8 Ų123.848%0.47666%0.662SS.*Hα-helixtrans-69.8-31.2177.4-72.4170.6000112.2R420 S421 D422 R428R420-L424 HydrophobicContact CG-CD1 4.42Å; R420-L424 VanDerWaalsContact O-CG 3.31Å; R420-L424 WeakPolarHBondContact O-CG 3.37Å; R420-L424 PolarHBondContact O-N 3.22Å; R420-L424 VanDerWaalsContact O-N 3.1Å; S421-L424 PolarHBondContact O-N 3.11Å; D422-L424 PolarHBondContact O-N 2.69Å; L424-R428 WeakPolarHBondContact O-CB 3.42Å; L424-R428 WeakPolarHBondContact O-CD 3.47Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 2.9Å; L424-R428 VanDerWaalsContact O-N 3.14Å
425Q72.5Confident63Low102 Ų102129.7 Ų129.748%0.47767%0.671SS.*Hα-helixtrans-68.8-42.9169.8-93.9178.3-37.800111.9S421 D422 L423 I427 R428 Q429S421-Q425 PolarHBondContact O-N 2.83Å; D422-Q425 PolarHBondContact O-N 2.89Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; Q425-I427 PolarHBondContact O-N 3.2Å; Q425-R428 PolarHBondContact O-N 3.45Å; Q425-Q429 WeakPolarHBondContact O-CB 3.35Å; Q425-Q429 VanDerWaalsContact O-CG 3.28Å; Q425-Q429 WeakPolarHBondContact O-CG 3.27Å; Q425-Q429 PolarHBondContact O-N 3.05Å
426A70.9Confident63.2Low48 Ų48130 Ų13040%0.39767%0.67SS.*Hα-helixtrans-63.4-38.7176.800000112.5D422 L423 Q429 G430D422-A426 WeakPolarHBondContact O-CB 3.44Å; D422-A426 PolarHBondContact O-N 3.48Å; L423-A426 PolarHBondContact O-N 3.31Å; A426-Q429 PolarHBondContact O-N 2.82Å; A426-G430 PolarHBondContact O-N 2.7Å; A426-G430 VanDerWaalsContact O-N 3.14Å
427I70.4Confident63.1Low115 Ų115132 Ų13259%0.5967%0.67SS**Hα-helixtrans-66-38.9174-68.3164.7000111.1L423 Q425L423-I427 HydrophobicContact CD1-CD1 4.27Å; L423-I427 HydrophobicContact CG-CD1 4Å; L423-I427 WeakPolarHBondContact O-CD1 3.21Å; L423-I427 VanDerWaalsContact O-CG1 3.22Å; L423-I427 WeakPolarHBondContact O-CG1 3.39Å; L423-I427 PolarHBondContact O-N 3.47Å; Q425-I427 PolarHBondContact O-N 3.2Å
428R72.5Confident63Low220 Ų220131.4 Ų131.483%0.8367%0.671SS**Hα-helixtrans-71.8-31.7178.2-76.2172.3176.7-137.10.2113.3L424 Q425L424-R428 WeakPolarHBondContact O-CB 3.42Å; L424-R428 WeakPolarHBondContact O-CD 3.47Å; L424-R428 WeakPolarHBondContact O-CG 3.42Å; L424-R428 PolarHBondContact O-N 2.9Å; L424-R428 VanDerWaalsContact O-N 3.14Å; Q425-R428 PolarHBondContact O-N 3.45Å
429Q72.9Confident62.2Low149 Ų149135.6 Ų135.670%0.69669%0.687SS**Hα-helixtrans-82.2-22.4-179.4-71.3174.612.300112.8Q425 A426Q425-Q429 WeakPolarHBondContact O-CB 3.35Å; Q425-Q429 VanDerWaalsContact O-CG 3.28Å; Q425-Q429 WeakPolarHBondContact O-CG 3.27Å; Q425-Q429 PolarHBondContact O-N 3.05Å; A426-Q429 PolarHBondContact O-N 2.82Å
430G63.6Low61.5Low47 Ų47141.3 Ų141.349%0.48569%0.692SS.*  trans73.7154-18000000112.8A426A426-G430 PolarHBondContact O-N 2.7Å; A426-G430 VanDerWaalsContact O-N 3.14Å
431F67.6Low60.7Low188 Ų188141 Ų14183%0.82570%0.699SS**  trans-93.5122.5179.8-127.4-87.7000110.5L433F431-L433 PolarHBondContact O-N 2.92Å; F431-L433 VanDerWaalsContact O-N 3.15Å
432N52.4Low59.1Low159 Ų159146.7 Ų146.785%0.8572%0.718SS**  trans-76.798.5168-81.57.9000109.3
433L49.5Very low57.7Low153 Ų153149.3 Ų149.380%0.80173%0.727SS**  trans-68.1133.7171.1-64.6170.6000109.7F431 K435F431-L433 PolarHBondContact O-N 2.92Å; F431-L433 VanDerWaalsContact O-N 3.15Å; L433-K435 PolarHBondContact O-N 3.5Å
434R59.2Low56.4Low237 Ų237151 Ų15189%0.89473%0.73SS**  trans-61.7134.5169.7-70.2-174.6-153.9178.17.1108.8V436R434-V436 PolarHBondContact O-N 3.5Å
435K54.5Low55Low212 Ų212156.8 Ų156.892%0.92275%0.746SS**  trans-59.5111.7170.9-80.2-180175177.60108.9L433L433-K435 PolarHBondContact O-N 3.5Å
436V46Very low53.7Low136 Ų136158.8 Ų158.882%0.82476%0.76SS**  trans-81.1126.4165.3177.10000107R434 A438R434-V436 PolarHBondContact O-N 3.5Å; V436-A438 PolarHBondContact O-N 2.89Å
437E41.7Very low52.5Low184 Ų184164.9 Ų164.986%0.8678%0.779SS**  trans-54.6131.4173-110.2172.3165.100110.4Q439E437-Q439 PolarHBondContact O-N 3.39Å
438A48.6Very low51.7Low92 Ų92166.6 Ų166.676%0.7678%0.783SS**  trans-72.785.8-172.900000112V436 R440V436-A438 PolarHBondContact O-N 2.89Å; A438-R440 PolarHBondContact O-N 3.3Å
439Q42.8Very low50.8Low200 Ų200157.7 Ų157.794%0.93576%0.76SS**  trans-80.563.6162.4-166174.9-7.500109.9E437E437-Q439 PolarHBondContact O-N 3.39Å
440R50.7Low50.3Low175 Ų175153.8 Ų153.866%0.6674%0.744SS**  trans-138.320.7176.4-151-169.7176.9-144.8-2.9114A438A438-R440 PolarHBondContact O-N 3.3Å
441E47.5Very low50.8Low181 Ų181156 Ų15685%0.84674%0.744SS**SBendtrans-91.1-17.2-178.2-125.9178.2176.100113.8
442Q38Very low51Low185 Ų185149.4 Ų149.486%0.86472%0.72SS**SBendtrans-82.5-31.4-175.7-160.583.41200113.5
443E43Very low52.1Low155 Ų155142.6 Ų142.672%0.72469%0.686SS**G310 helixtrans-84.4-13.7-171.8-146.2179.6-162.900113.5R445E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.2Å
444K45.9Very low53.4Low141 Ų141136.8 Ų136.861%0.61366%0.659SS**G310 helixtrans-78.6-2.8-177-83.4-168.2175.4-172.70114.9
445R45.5Very low54.3Low213 Ų213129.7 Ų129.780%0.80464%0.638SS**G310 helixtrans-77.9-21.5-175.7-151.3171.3179.7156-2.2113.3E443E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.2Å
446D44.2Very low55.3Low145 Ų145121.2 Ų121.278%0.77560%0.603SS**SBendtrans-104-6.7-168.1-64.6-23000115.5F448D446-F448 VanDerWaalsContact C-N 3.34Å; D446-F448 PolarHBondContact O-N 3.29Å
447H46.7Very low56.7Low175 Ų175116.8 Ų116.881%0.8158%0.578SS**  trans-95.424.6176.7-97.976.9000114.2G449H447-G449 PolarHBondContact O-N 3.03Å
448F53.3Low58.4Low151 Ų151113.9 Ų113.966%0.66256%0.559SS**  trans-71.693.4-172.5-129.9-107000111.8D446D446-F448 VanDerWaalsContact C-N 3.34Å; D446-F448 PolarHBondContact O-N 3.29Å
449G52.9Low59.8Low34 Ų34118.1 Ų118.135%0.35156%0.556SS.*SBendtrans-165.1-67.2170.600000115.3H447H447-G449 PolarHBondContact O-N 3.03Å
450N62.3Low61.2Low66 Ų66109.8 Ų109.835%0.35352%0.517SS..  trans-140.810.4-153-65.760.7000114.9Q107Q107-N450 VanDerWaalsContact CD-CG 3.43Å; Q107-N450 VanDerWaalsContact NE2-CG 3.26Å; Q107-N450 PolarHBondContact NE2-ND2 2.71Å; Q107-N450 PolarHBondContact NE2-OD1 3.07Å; Q107-N450 PolarHBondContact OE1-ND2 2.82Å
451D74.6Confident62Low93 Ų93103.7 Ų103.750%0.49750%0.504SS..  trans-71.1134.1170-177.311.3000109.9A453 A454 I455D451-A453 PolarHBondContact O-N 3.48Å; D451-A453 PolarHBondContact OD1-N 3.45Å; D451-A454 HydrophobicContact CB-CB 4.21Å; D451-A454 WeakPolarHBondContact O-CA 3.43Å; D451-A454 WeakPolarHBondContact O-CB 3.48Å; D451-A454 PolarHBondContact O-N 3.23Å; D451-I455 WeakPolarHBondContact O-CG1 3.31Å; D451-I455 PolarHBondContact O-N 3.46Å
452V72.3Confident63.1Low50 Ų5099.7 Ų99.730%0.30349%0.492SS..Hα-helixtrans-57.4-34.8178174.90000110.3W161 I455 L456W161-V452 HydrophobicContact CH2-CB 3.66Å; W161-V452 HydrophobicContact CH2-CG1 3.57Å; W161-V452 HydrophobicContact CZ3-CB 4.18Å; W161-V452 HydrophobicContact CZ3-CG1 3.67Å; V452-I455 PolarHBondContact O-N 2.93Å; V452-L456 HydrophobicContact CG1-CD1 4.1Å; V452-L456 HydrophobicContact CG1-CG 4.43Å; V452-L456 WeakPolarHBondContact O-CB 3.22Å; V452-L456 VanDerWaalsContact O-CG 3.25Å; V452-L456 WeakPolarHBondContact O-CG 3.19Å; V452-L456 PolarHBondContact O-N 3.15Å
453A75.4Confident64.1Low17 Ų1797.1 Ų97.114%0.1448%0.48CS..Hα-helixtrans-63.1-44.5173.600000112.1W161 M165 D451 I455 L456 S457W161-A453 HydrophobicContact CZ2-CB 4.37Å; M165-A453 HydrophobicContact CG-CB 4.41Å; M165-A453 HydrophobicContact SD-CB 4.21Å; D451-A453 PolarHBondContact O-N 3.48Å; D451-A453 PolarHBondContact OD1-N 3.45Å; A453-I455 VanDerWaalsContact C-N 3.35Å; A453-I455 PolarHBondContact O-N 3.12Å; A453-L456 PolarHBondContact O-N 3.14Å; A453-S457 PolarHBondContact O-N 3.14Å; A453-S457 PolarHBondContact O-OG 3.46Å
454A76.6Confident64.6Low30 Ų3091.8 Ų91.825%0.24846%0.459CS..Hα-helixtrans-66.4-35.5178.100000112.6D451 R458D451-A454 HydrophobicContact CB-CB 4.21Å; D451-A454 WeakPolarHBondContact O-CA 3.43Å; D451-A454 WeakPolarHBondContact O-CB 3.48Å; D451-A454 PolarHBondContact O-N 3.23Å; A454-R458 WeakPolarHBondContact O-CB 3.41Å; A454-R458 PolarHBondContact O-N 2.93Å
455I77.6Confident64.9Low88 Ų8890.1 Ų90.145%0.45147%0.465SS..Hα-helixtrans-66.1-46.7175.4-65.2167.6000110.4D451 V452 A453 R458 R459D451-I455 WeakPolarHBondContact O-CG1 3.31Å; D451-I455 PolarHBondContact O-N 3.46Å; V452-I455 PolarHBondContact O-N 2.93Å; A453-I455 VanDerWaalsContact C-N 3.35Å; A453-I455 PolarHBondContact O-N 3.12Å; I455-R458 PolarHBondContact O-N 3.49Å; I455-R459 WeakPolarHBondContact O-CB 3.28Å; I455-R459 PolarHBondContact O-N 3.37Å
456L76.9Confident64.8Low35 Ų3587.3 Ų87.318%0.18347%0.466CS..Hα-helixtrans-61.7-45.6176.9-70.7171.6000111.3K162 L166 V452 A453 R458 R459 I460K162-L456 HydrophobicContact CG-CD1 4.38Å; L166-L456 HydrophobicContact CD1-CB 4.04Å; L166-L456 HydrophobicContact CD1-CD1 4.05Å; L166-L456 HydrophobicContact CD1-CD2 3.78Å; L166-L456 HydrophobicContact CD1-CG 4.17Å; V452-L456 HydrophobicContact CG1-CD1 4.1Å; V452-L456 HydrophobicContact CG1-CG 4.43Å; V452-L456 WeakPolarHBondContact O-CB 3.22Å; V452-L456 VanDerWaalsContact O-CG 3.25Å; V452-L456 WeakPolarHBondContact O-CG 3.19Å; V452-L456 PolarHBondContact O-N 3.15Å; A453-L456 PolarHBondContact O-N 3.14Å; L456-R458 VanDerWaalsContact C-N 3.33Å; L456-R458 PolarHBondContact O-N 3.17Å; L456-R459 PolarHBondContact O-N 3.46Å; L456-I460 WeakPolarHBondContact O-CG1 3.45Å; L456-I460 PolarHBondContact O-N 3.34Å; L456-I460 VanDerWaalsContact O-N 3.1Å
457S75.3Confident64.7Low43 Ų4384.6 Ų84.630%0.30146%0.459SS..Hα-helixtrans-60.5-41176-57.60000112.6T169 A453 A461T169-S457 PolarHBondContact OG1-OG 2.89Å; A453-S457 PolarHBondContact O-N 3.14Å; A453-S457 PolarHBondContact O-OG 3.46Å; S457-A461 VanDerWaalsContact O-CB 3.28Å; S457-A461 WeakPolarHBondContact O-CB 3.43Å; S457-A461 PolarHBondContact O-N 2.83Å; S457-A461 VanDerWaalsContact O-N 3.17Å
458R77.5Confident64.6Low123 Ų12382.3 Ų82.346%0.46445%0.448SS..Hα-helixtrans-67-44.1177.1-170.3-172.1-55.6-87.6-1.1112A454 I455 L456 A461 V462A454-R458 WeakPolarHBondContact O-CB 3.41Å; A454-R458 PolarHBondContact O-N 2.93Å; I455-R458 PolarHBondContact O-N 3.49Å; L456-R458 VanDerWaalsContact C-N 3.33Å; L456-R458 PolarHBondContact O-N 3.17Å; R458-A461 PolarHBondContact O-N 3.23Å; R458-V462 WeakPolarHBondContact O-CG2 3.43Å; R458-V462 PolarHBondContact O-N 3.44Å; R458-V462 VanDerWaalsContact O-N 3.13Å
459R77.8Confident64Low181 Ų18182.8 Ų82.868%0.68346%0.458SS*.Hα-helixtrans-63.8-46.6-177-172.471.3-176.7-172.43.1111.6I455 L456 A461 V462 E463I455-R459 WeakPolarHBondContact O-CB 3.28Å; I455-R459 PolarHBondContact O-N 3.37Å; L456-R459 PolarHBondContact O-N 3.46Å; R459-A461 PolarHBondContact O-N 2.93Å; R459-V462 PolarHBondContact O-N 3.29Å; R459-E463 PolarHBondContact O-N 2.87Å; R459-E463 VanDerWaalsContact O-N 3.09Å
460I71.7Confident63.6Low25 Ų2588.4 Ų88.413%0.12848%0.48CS..Hα-helixtrans-65.3-39.9177.9-65.4171000111.1L166 T169 M173 L456 V462 E463 C464L166-I460 HydrophobicContact CD1-CD1 3.47Å; L166-I460 VanDerWaalsContact CD1-CD1 3.47Å; L166-I460 HydrophobicContact CD2-CD1 4.49Å; L166-I460 HydrophobicContact CG-CD1 3.62Å; T169-I460 HydrophobicContact CG2-CB 4.47Å; T169-I460 HydrophobicContact CG2-CD1 4.21Å; M173-I460 HydrophobicContact CE-CG2 4.43Å; M173-I460 HydrophobicContact SD-CG2 3.83Å; L456-I460 WeakPolarHBondContact O-CG1 3.45Å; L456-I460 PolarHBondContact O-N 3.34Å; L456-I460 VanDerWaalsContact O-N 3.1Å; I460-V462 VanDerWaalsContact C-N 3.28Å; I460-V462 PolarHBondContact O-N 3.1Å; I460-E463 PolarHBondContact O-N 3.49Å; I460-C464 PolarHBondContact O-N 2.95Å; I460-C464 VanDerWaalsContact O-N 3.09Å
461A67.4Low62.7Low46 Ų4691.4 Ų91.438%0.3851%0.506SS..Hα-helixtrans-62.9-34.2177.800000113S457 R458 R459 S465S457-A461 VanDerWaalsContact O-CB 3.28Å; S457-A461 WeakPolarHBondContact O-CB 3.43Å; S457-A461 PolarHBondContact O-N 2.83Å; S457-A461 VanDerWaalsContact O-N 3.17Å; R458-A461 PolarHBondContact O-N 3.23Å; R459-A461 PolarHBondContact O-N 2.93Å; A461-S465 WeakPolarHBondContact O-CB 3.31Å; A461-S465 PolarHBondContact O-N 3.46Å
462V71.4Confident61.5Low98 Ų9892.5 Ų92.559%0.59452%0.521SS*.Hα-helixtrans-73.2-44.9176.2172.50000110.8R458 R459 I460 C464 S465R458-V462 WeakPolarHBondContact O-CG2 3.43Å; R458-V462 PolarHBondContact O-N 3.44Å; R458-V462 VanDerWaalsContact O-N 3.13Å; R459-V462 PolarHBondContact O-N 3.29Å; I460-V462 VanDerWaalsContact C-N 3.28Å; I460-V462 PolarHBondContact O-N 3.1Å; V462-C464 PolarHBondContact O-N 3.27Å; V462-S465 PolarHBondContact O-N 3.11Å; V462-S465 VanDerWaalsContact O-N 3.15Å
463E58.9Low60.3Low130 Ų13099.5 Ų99.561%0.60755%0.55SS**Hα-helixtrans-67.1-33.9-175.9-164.4166.6-172.400113.2R459 I460R459-E463 PolarHBondContact O-N 2.87Å; R459-E463 VanDerWaalsContact O-N 3.09Å; I460-E463 PolarHBondContact O-N 3.49Å
464C51.8Low58.3Low44 Ų44108 Ų10830%0.29758%0.584SS.*THydrogen-bonded Turntrans-84.5-7.7174.2-59.80000114.4M173 I460 V462M173-C464 HydrophobicContact CE-CB 4.18Å; I460-C464 PolarHBondContact O-N 2.95Å; I460-C464 VanDerWaalsContact O-N 3.09Å; V462-C464 PolarHBondContact O-N 3.27Å
465S52.2Low56.7Low106 Ų106112.8 Ų112.874%0.74161%0.606SS**THydrogen-bonded Turntrans-84.8-16.8174.9-122.50000112.4A461 V462A461-S465 WeakPolarHBondContact O-CB 3.31Å; A461-S465 PolarHBondContact O-N 3.46Å; V462-S465 PolarHBondContact O-N 3.11Å; V462-S465 VanDerWaalsContact O-N 3.15Å
466D43.4Very low55.3Low153 Ų153115.2 Ų115.282%0.81862%0.62SS**SBendtrans-99.2-9.2-177.2-151.631.4000112.7
467S42.1Very low53.7Low88 Ų88121 Ų12162%0.61565%0.651SS**SBendtrans-109.313.5-17473.40000115.1
468E45.1Very low52.5Low127 Ų127126 Ų12659%0.59367%0.669SS**SBendtrans-124.725.1-176-64.9-168.5150.500114.4R177R177-E468 IonicContact CZ-OE1 2.71Å; R177-E468 IonicContact CZ-OE2 2.81Å; R177-E468 VanDerWaalsContact CZ-OE2 3.27Å; R177-E468 IonicContact NH1-OE1 3.83Å; R177-E468 PolarHBondContact NH1-OE1 3.38Å; R177-E468 IonicContact NH1-OE2 3.95Å; R177-E468 PolarHBondContact NH1-OE2 3.27Å; R177-E468 IonicContact NH2-OE1 3.3Å; R177-E468 PolarHBondContact NH2-OE1 3.41Å; R177-E468 IonicContact NH2-OE2 3Å; R177-E468 PolarHBondContact NH2-OE2 3.42Å
469D41.7Very low51Low161 Ų161130.3 Ų130.386%0.86169%0.686SS**SBendtrans-125.413.7177.4-154.836.9000116.1
470D43.5Very low49.3Very low153 Ų153127.2 Ų127.282%0.81869%0.692SS**SBendtrans-144.441.6179.7-158.923.1000115.4
471S43.3Very low47.8Very low128 Ų128138.6 Ų138.690%0.89575%0.745SS**  trans-14764.2170.7-57.50000111.7
472S49.2Very low46.8Very low116 Ų116143.3 Ų143.381%0.81176%0.763SS**  trans-150.270.916367.50000111.5
473E46.7Very low45.5Very low198 Ų198145.6 Ų145.693%0.92577%0.772SS**  trans-161.7145.8155.2-133.4169.615600110.7
474F35.2Very low44.8Very low194 Ų194146.5 Ų146.585%0.85178%0.781SS**  trans85.677.2-176.8-122.6-94.9000115.4
475D41.5Very low44.4Very low132 Ų132152.5 Ų152.571%0.70681%0.809SS**  72.9114.174.6-155.333.9000112.1
476D47.9Very low43.9Very low139 Ų139155.4 Ų155.474%0.74381%0.814SS**  trans-71.3134.7176.9-56.1-64.5000108.9
477D45.2Very low43.9Very low157 Ų157155.6 Ų155.684%0.8481%0.813SS**  trans167.6141.5134.8-89.3-38.3000113.7
478E48Very low44Very low146 Ų146160.4 Ų160.468%0.68283%0.827SS**  trans74.6104.2150.6-138.8167.4-158.400118.9
479W47.3Very low44Very low215 Ų215163 Ų16381%0.81485%0.845SS**  -179.6116100.4-87.798.6000108.7
480S41.9Very low44.1Very low115 Ų115163.2 Ų163.280%0.80484%0.844SS**  trans-81.1125.4161-54.50000108
481E39.9Very low44.2Very low265 Ų265164.1 Ų164.1100%1.23885%0.846SS**  trans-158.70141.7-142.2171.5158.800111.3

Retrieved 481 of 481 residues in 199.7 ms (Link to these results)