A0A087YNL0_POEFO Loading...

Eukaryotic translation initiation factor 5

Component of the 43S pre-initiation complex (43S PIC), which binds to the mRNA cap-proximal region, scans mRNA 5'-untranslated region, and locates the initiation codon. In this complex, acts as a GTPase-activating protein, by promoting GTP hydrolysis by eIF2G (EIF2S3). During scanning, interacts with both EIF1 (via its C-terminal domain (CTD)) and EIF1A (via its NTD). This interaction with EIF1A contributes to the maintenance of EIF1 within the open 43S PIC. When start codon is recognized, EIF5, via its NTD, induces eIF2G (EIF2S3) to hydrolyze the GTP. Start codon recognition also induces a conformational change of the PIC to a closed state. This change increases the affinity of EIF5-CTD for EIF2-beta (EIF2S2), which allows the release, by an indirect mechanism, of EIF1 from the PIC. Finally, EIF5 stabilizes the PIC in its closed conformation.

AlphaFold DB , UniProt , Accession A0A087YNL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 433 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
1M61.7Low71.5Confident195 Ų19572.8 Ų72.896%0.96140%0.402SS*.  0123.70-66.5178.5-156.900108.3R20M1-R20 PolarHBondContact O-N 2.63Å
2S73.4Confident71.1Confident70 Ų7079.8 Ų79.849%0.4943%0.43SS..EExtended strand (participates in β ladder)trans-88.6139.4173.252.90000109.9M18S2-M18 CarbonylContact C-O 3.56Å; S2-M18 WeakPolarHBondContact CA-O 3.49Å
3V79.9Confident71Confident34 Ų3487.2 Ų87.221%0.20646%0.456CS..EExtended strand (participates in β ladder)trans-108.7151.2172.3-890000109.4K17 M18 R20V3-K17 CarbonylContact O-C 3.56Å; V3-K17 WeakPolarHBondContact O-CA 3.48Å; V3-M18 HydrophobicContact CG2-CE 4.18Å; V3-M18 HydrophobicContact CG2-CG 3.97Å; V3-M18 WeakPolarHBondContact CG2-O 3.12Å; V3-M18 PolarHBondContact N-O 3.3Å; V3-M18 PolarHBondContact O-N 2.81Å; V3-R20 HydrophobicContact CB-CG 4.29Å; V3-R20 HydrophobicContact CG1-CG 3.73Å; V3-R20 HydrophobicContact CG2-CB 4.41Å; V3-R20 HydrophobicContact CG2-CG 3.61Å
4N81.4Confident71.4Confident27 Ų2783.4 Ų83.414%0.14443%0.433CS..EExtended strand (participates in β ladder)trans-67.4140.9175.5-67.7-5.6000109.3N6 V9 D11 Y14N4-N6 PolarHBondContact O-N 3.34Å; N4-V9 PolarHBondContact ND2-O 2.99Å; N4-D11 PolarHBondContact ND2-O 3.25Å; N4-Y14 HydrophobicContact CB-CD1 3.84Å
5V76.4Confident71.9Confident3 Ų391.7 Ų91.72%0.01846%0.456CS..SBendtrans-63.2-35.1178.5171.60000110.8Y16 M18 L46 I93 P105V5-Y16 WeakPolarHBondContact CG2-O 3.44Å; V5-Y16 PolarHBondContact N-O 2.96Å; V5-M18 HydrophobicContact CG2-CB 3.99Å; V5-M18 HydrophobicContact CG2-CG 4.15Å; V5-M18 HydrophobicContact CG2-SD 4.42Å; V5-L46 HydrophobicContact CG1-CD2 3.74Å; V5-L46 HydrophobicContact CG2-CD2 4.46Å; V5-I93 HydrophobicContact CG1-CD1 4.21Å; V5-I93 HydrophobicContact CG1-CG2 4.07Å; V5-I93 WeakPolarHBondContact O-CD1 3.29Å; V5-P105 HydrophobicContact CG1-CB 3.74Å; V5-P105 HydrophobicContact CG1-CG 4.22Å
6N72.5Confident72.5Confident10 Ų1089.1 Ų89.15%0.05344%0.44CS..SBendtrans-103.2113.5170.2-166.9-7.2000109.9N4 S8 V9N4-N6 PolarHBondContact O-N 3.34Å; N6-S8 PolarHBondContact ND2-OG 3.04Å; N6-S8 PolarHBondContact O-N 3.19Å; N6-S8 PolarHBondContact OD1-N 3.45Å; N6-S8 VanDerWaalsContact OD1-N 3.08Å; N6-S8 PolarHBondContact OD1-OG 3.22Å; N6-V9 HydrophobicContact CB-CG2 4.2Å; N6-V9 PolarHBondContact O-N 2.7Å; N6-V9 VanDerWaalsContact O-N 3.12Å
7R68.3Low73Confident157 Ų15789.1 Ų89.159%0.59244%0.437SS*.THydrogen-bonded Turntrans-68.6-17.9177.8-160.8169.7102.5-162.516.3113V9 D87 D90R7-V9 PolarHBondContact O-N 3.3Å; R7-D87 IonicContact CZ-OD1 2.92Å; R7-D87 IonicContact NH1-OD1 2.9Å; R7-D87 PolarHBondContact NH1-OD1 3.18Å; R7-D87 IonicContact NH2-OD1 3.33Å; R7-D90 WeakPolarHBondContact CD-OD2 3.28Å; R7-D90 IonicContact CZ-OD2 2.79Å; R7-D90 IonicContact NE-OD2 3.83Å; R7-D90 IonicContact NH1-OD2 3.01Å; R7-D90 PolarHBondContact NH1-OD2 3.38Å
8S67.5Low73.6Confident91 Ų9184.8 Ų84.864%0.63642%0.416SS*.THydrogen-bonded Turntrans-72.4-20172.770.60000112.6N6N6-S8 PolarHBondContact ND2-OG 3.04Å; N6-S8 PolarHBondContact O-N 3.19Å; N6-S8 PolarHBondContact OD1-N 3.45Å; N6-S8 VanDerWaalsContact OD1-N 3.08Å; N6-S8 PolarHBondContact OD1-OG 3.22Å
9V70.1Confident74.2Confident47 Ų4782.6 Ų82.629%0.28541%0.409SS..  trans-99.9103.7176.8-175.20000108.3N4 N6 R7 D11 Y14N4-V9 PolarHBondContact ND2-O 2.99Å; N6-V9 HydrophobicContact CB-CG2 4.2Å; N6-V9 PolarHBondContact O-N 2.7Å; N6-V9 VanDerWaalsContact O-N 3.12Å; R7-V9 PolarHBondContact O-N 3.3Å; V9-D11 VanDerWaalsContact C-N 3.29Å; V9-D11 HydrophobicContact CG1-CB 4Å; V9-D11 PolarHBondContact O-N 3.46Å; V9-Y14 HydrophobicContact CB-CD2 4.34Å; V9-Y14 HydrophobicContact CB-CE2 4.31Å; V9-Y14 HydrophobicContact CG1-CD2 3.59Å; V9-Y14 HydrophobicContact CG1-CE2 3.91Å; V9-Y14 HydrophobicContact CG1-CG 4.08Å; V9-Y14 HydrophobicContact CG2-CE2 4.41Å
10S61.3Low74.7Confident89 Ų8984.7 Ų84.762%0.62241%0.412SS*.  trans-865.3-179.553.60000114Q12S10-Q12 PolarHBondContact O-N 2.88Å
11D73.7Confident75.2Confident78 Ų7881 Ų8142%0.41739%0.394SS..  trans-61.8121.8-179.2179.59000112N4 V9 F13 Y14N4-D11 PolarHBondContact ND2-O 3.25Å; V9-D11 VanDerWaalsContact C-N 3.29Å; V9-D11 HydrophobicContact CG1-CB 4Å; V9-D11 PolarHBondContact O-N 3.46Å; D11-F13 PolarHBondContact O-N 3.23Å; D11-F13 PolarHBondContact OD1-N 3Å; D11-Y14 VanDerWaalsContact O-CB 3.23Å; D11-Y14 WeakPolarHBondContact O-CB 3.13Å; D11-Y14 PolarHBondContact O-N 2.82Å; D11-Y14 VanDerWaalsContact O-N 3.12Å
12Q66.5Low76.4Confident157 Ų15776.6 Ų76.673%0.73437%0.374SS*.THydrogen-bonded Turntrans-64.7-23.1179-169.9173.1-2.700112.7S10 K17S10-Q12 PolarHBondContact O-N 2.88Å; Q12-K17 WeakPolarHBondContact O-CE 3.32Å; Q12-K17 PolarHBondContact O-NZ 3Å
13F70.4Confident77Confident176 Ų17674.5 Ų74.577%0.77236%0.36SS*.THydrogen-bonded Turntrans-98.58.8176.7-66.4-79.9000113.8D11 R15D11-F13 PolarHBondContact O-N 3.23Å; D11-F13 PolarHBondContact OD1-N 3Å; F13-R15 PolarHBondContact O-N 2.81Å
14Y76.5Confident77.4Confident33 Ų3378.8 Ų78.813%0.12938%0.376CS..  trans-52.6127.8179.6-170.6-119000111.4N4 V9 D11 Y16 K17N4-Y14 HydrophobicContact CB-CD1 3.84Å; V9-Y14 HydrophobicContact CB-CD2 4.34Å; V9-Y14 HydrophobicContact CB-CE2 4.31Å; V9-Y14 HydrophobicContact CG1-CD2 3.59Å; V9-Y14 HydrophobicContact CG1-CE2 3.91Å; V9-Y14 HydrophobicContact CG1-CG 4.08Å; V9-Y14 HydrophobicContact CG2-CE2 4.41Å; D11-Y14 VanDerWaalsContact O-CB 3.23Å; D11-Y14 WeakPolarHBondContact O-CB 3.13Å; D11-Y14 PolarHBondContact O-N 2.82Å; D11-Y14 VanDerWaalsContact O-N 3.12Å; Y14-Y16 VanDerWaalsContact C-N 3.29Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.44Å; Y14-Y16 HydrophobicContact CE1-CD2 4.17Å; Y14-Y16 HydrophobicContact CE1-CG 4.42Å; Y14-Y16 VanDerWaalsContact CE1-O 3.26Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.36Å; Y14-Y16 HydrophobicContact CE2-CD2 4.38Å; Y14-Y16 AromaticContact CZ-CD2 3.84Å; Y14-Y16 PolarHBondContact O-N 2.81Å; Y14-K17 WeakPolarHBondContact O-CE 2.98Å; Y14-K17 WeakPolarHBondContact O-CG 3.49Å
15R78.3Confident77.7Confident208 Ų20881.1 Ų81.179%0.78539%0.391SS*.SBendtrans-63.6-34.5-172-175.7179.3177.697.2-1.4112.4F13F13-R15 PolarHBondContact O-N 2.81Å
16Y81.5Confident78Confident51 Ų5184.4 Ų84.420%0.241%0.406CS..  trans-99.297.5-174.7-54.1-69.2000111.1V5 Y14 P105 E106V5-Y16 WeakPolarHBondContact CG2-O 3.44Å; V5-Y16 PolarHBondContact N-O 2.96Å; Y14-Y16 VanDerWaalsContact C-N 3.29Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.44Å; Y14-Y16 HydrophobicContact CE1-CD2 4.17Å; Y14-Y16 HydrophobicContact CE1-CG 4.42Å; Y14-Y16 VanDerWaalsContact CE1-O 3.26Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.36Å; Y14-Y16 HydrophobicContact CE2-CD2 4.38Å; Y14-Y16 AromaticContact CZ-CD2 3.84Å; Y14-Y16 PolarHBondContact O-N 2.81Å; Y16-P105 HydrophobicContact CD1-CG 4.02Å; Y16-P105 HydrophobicContact CD2-CG 3.55Å; Y16-P105 HydrophobicContact CE2-CG 4.12Å; Y16-P105 HydrophobicContact CG-CG 3.48Å; Y16-P105 VanDerWaalsContact CG-CG 3.48Å; Y16-E106 HydrophobicContact CD1-CG 4.49Å; Y16-E106 HydrophobicContact CE1-CG 3.61Å; Y16-E106 VanDerWaalsContact CE1-OE1 3.27Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.3Å; Y16-E106 VanDerWaalsContact OH-CD 3.28Å; Y16-E106 PolarHBondContact OH-OE1 3.23Å
17K81Confident78.1Confident89 Ų8986.2 Ų86.239%0.38743%0.427SS..EExtended strand (participates in β ladder)trans-112.6142179.1-64.9-177.5178.7179.90110.7V3 Q12 Y14V3-K17 CarbonylContact O-C 3.56Å; V3-K17 WeakPolarHBondContact O-CA 3.48Å; Q12-K17 WeakPolarHBondContact O-CE 3.32Å; Q12-K17 PolarHBondContact O-NZ 3Å; Y14-K17 WeakPolarHBondContact O-CE 2.98Å; Y14-K17 WeakPolarHBondContact O-CG 3.49Å
18M84Confident78.4Confident12 Ų1288.7 Ų88.76%0.05944%0.442CS..EExtended strand (participates in β ladder)trans-120.5149.6171.166-179178.400110.1S2 V3 V5 V42 A45 L89 I93S2-M18 CarbonylContact C-O 3.56Å; S2-M18 WeakPolarHBondContact CA-O 3.49Å; V3-M18 HydrophobicContact CG2-CE 4.18Å; V3-M18 HydrophobicContact CG2-CG 3.97Å; V3-M18 WeakPolarHBondContact CG2-O 3.12Å; V3-M18 PolarHBondContact N-O 3.3Å; V3-M18 PolarHBondContact O-N 2.81Å; V5-M18 HydrophobicContact CG2-CB 3.99Å; V5-M18 HydrophobicContact CG2-CG 4.15Å; V5-M18 HydrophobicContact CG2-SD 4.42Å; M18-V42 HydrophobicContact SD-CG1 4.4Å; M18-A45 HydrophobicContact CB-CB 3.96Å; M18-L89 HydrophobicContact CE-CD2 3.74Å; M18-L89 HydrophobicContact SD-CD2 3.82Å; M18-I93 HydrophobicContact CE-CD1 3.85Å; M18-I93 HydrophobicContact SD-CD1 3.84Å
19P85.6Confident78.8Confident43 Ų4386.7 Ų86.728%0.27944%0.436SS..EExtended strand (participates in β ladder)trans-70.3148.517331.2-34.5000110.3N38 D41 V42P19-N38 WeakPolarHBondContact CB-ND2 3.23Å; P19-N38 WeakPolarHBondContact CG-ND2 3.31Å; P19-D41 HydrophobicContact CG-CB 3.89Å; P19-V42 HydrophobicContact CG-CG2 3.96Å
20R83.5Confident79Confident123 Ų12393.5 Ų93.546%0.46447%0.471SS..PPolyproline II helixtrans-60.2143.2175.2-74.4-172.6176.4-154-2.6111M1 V3 I22 N38M1-R20 PolarHBondContact O-N 2.63Å; V3-R20 HydrophobicContact CB-CG 4.29Å; V3-R20 HydrophobicContact CG1-CG 3.73Å; V3-R20 HydrophobicContact CG2-CB 4.41Å; V3-R20 HydrophobicContact CG2-CG 3.61Å; R20-I22 PolarHBondContact O-N 3.34Å; R20-N38 PolarHBondContact O-ND2 3.33Å
21L85.8Confident79.8Confident9 Ų991.2 Ų91.25%0.04746%0.462CS..PPolyproline II helixtrans-72.2124.8179.3-171.1136.8000109.9A23 I36 F57 L85 Q86 L89L21-A23 HydrophobicContact CD2-CB 4.11Å; L21-I36 HydrophobicContact CD1-CG2 4.07Å; L21-I36 HydrophobicContact CD2-CG2 4.27Å; L21-I36 HydrophobicContact CG-CG2 4Å; L21-F57 HydrophobicContact CD1-CE2 4.25Å; L21-F57 HydrophobicContact CD1-CZ 4.14Å; L21-L85 HydrophobicContact CD2-CB 3.73Å; L21-L85 HydrophobicContact CD2-CD1 3.98Å; L21-Q86 HydrophobicContact CB-CG 3.94Å; L21-Q86 PolarHBondContact O-NE2 3.16Å; L21-L89 HydrophobicContact CD1-CD1 3.79Å
22I86.1Confident80.4Confident102 Ų10290 Ų9052%0.52346%0.455SS..  trans-109.3112.8177.9-56.7172.6000107.7R20 V37 N38R20-I22 PolarHBondContact O-N 3.34Å; I22-V37 PolarHBondContact O-N 2.89Å; I22-N38 HydrophobicContact CB-CB 4.28Å; I22-N38 HydrophobicContact CG1-CB 4.49Å
23A87.3Confident81.4Confident26 Ų2686.4 Ų86.422%0.21544%0.436CS..EExtended strand (participates in β ladder)trans-109.3135.2176.500000109.7L21 T34 A82 L85L21-A23 HydrophobicContact CD2-CB 4.11Å; A23-T34 HydrophobicContact CB-CG2 3.73Å; A23-A82 HydrophobicContact CB-CB 4.39Å; A23-L85 HydrophobicContact CB-CD1 3.71Å
24K87.3Confident82.3Confident123 Ų12378 Ų7854%0.53540%0.4SS..EExtended strand (participates in β ladder)trans-118.2123.5175.7-172.8179.8-179-172.60108.8E26 V35 V37K24-E26 PolarHBondContact O-N 2.88Å; K24-V35 PolarHBondContact N-O 3.29Å; K24-V35 PolarHBondContact O-N 3.16Å; K24-V37 HydrophobicContact CB-CG2 4.29Å
25V87.1Confident82.9Confident77 Ų7776.8 Ų76.847%0.46740%0.396SS..EExtended strand (participates in β ladder)trans-80.5119.3175.9-174.70000108.7I32V25-I32 HydrophobicContact CG1-CG2 3.36Å
26E83.6Confident83.4Confident71 Ų7166.9 Ų66.933%0.33236%0.358SS..EExtended strand (participates in β ladder)trans-113.4128.4174.7-64.9-166.1158.500109.8K24 K33 V35 R73K24-E26 PolarHBondContact O-N 2.88Å; E26-K33 PolarHBondContact N-O 3.24Å; E26-K33 PolarHBondContact O-N 3.44Å; E26-V35 HydrophobicContact CB-CG2 4.18Å; E26-V35 HydrophobicContact CG-CG2 3.85Å; E26-V35 WeakPolarHBondContact OE2-CG2 3.35Å; E26-R73 IonicContact OE2-NH2 2.96Å; E26-R73 PolarHBondContact OE2-NH2 3.36Å
27G75.1Confident83.6Confident48 Ų4868.9 Ų68.950%0.49538%0.376SS..  trans112.3159179.300000113.5
28K73.6Confident83.9Confident209 Ų20965.6 Ų65.691%0.90936%0.362SS*.SBendtrans-134.7138.8175-65.4-174.8177.7-175.20108.2
29G76.5Confident84Confident49 Ų4965 Ų6551%0.50536%0.36SS..SBendtrans83.5-149.9-179.500000114.4G31 I32G29-G31 PolarHBondContact O-N 3.03Å; G29-I32 WeakPolarHBondContact O-CD1 3.37Å; G29-I32 VanDerWaalsContact O-CG1 3.24Å; G29-I32 WeakPolarHBondContact O-CG1 3.5Å; G29-I32 PolarHBondContact O-N 3.19Å
30N74.9Confident84.1Confident191 Ų19165.4 Ų65.4100%1.02136%0.361SS*.THydrogen-bonded Turntrans-65.93.4-175.2-71.88.2000115.5
31G77.5Confident84.2Confident41 Ų4164 Ų6442%0.42336%0.363SS..THydrogen-bonded Turntrans-122.427.6-179.100000113.6G29 K33G29-G31 PolarHBondContact O-N 3.03Å; G31-K33 WeakPolarHBondContact O-CG 3.33Å; G31-K33 PolarHBondContact O-N 3.31Å
32I85.8Confident84.2Confident53 Ų5363.7 Ų63.727%0.27236%0.361SS..  trans-64.5131.6176-65.8155.7000109.7V25 G29 G78V25-I32 HydrophobicContact CG1-CG2 3.36Å; G29-I32 WeakPolarHBondContact O-CD1 3.37Å; G29-I32 VanDerWaalsContact O-CG1 3.24Å; G29-I32 WeakPolarHBondContact O-CG1 3.5Å; G29-I32 PolarHBondContact O-N 3.19Å; I32-G78 PolarHBondContact O-N 2.92Å
33K88.4Confident84.2Confident80 Ų8058.9 Ų58.935%0.34834%0.336SS..EExtended strand (participates in β ladder)trans-130.6141178.2-50.8-175.9-177.2-179.10109.1E26 G31 I75 V76E26-K33 PolarHBondContact N-O 3.24Å; E26-K33 PolarHBondContact O-N 3.44Å; G31-K33 WeakPolarHBondContact O-CG 3.33Å; G31-K33 PolarHBondContact O-N 3.31Å; K33-I75 HydrophobicContact CB-CG2 3.67Å; K33-I75 HydrophobicContact CD-CG2 3.92Å; K33-I75 HydrophobicContact CG-CG2 4.31Å; K33-V76 CarbonylContact C-O 3.52Å
34T88.4Confident84.2Confident0 Ų065.4 Ų65.40%036%0.36CS..EExtended strand (participates in β ladder)trans-102118.3174.8-580000108.9A23 V76 G78 H80 L85A23-T34 HydrophobicContact CB-CG2 3.73Å; T34-V76 PolarHBondContact N-O 3.02Å; T34-V76 PolarHBondContact O-N 3.1Å; T34-G78 PolarHBondContact N-O 2.72Å; T34-G78 PolarHBondContact OG1-O 3.38Å; T34-H80 HydrophobicContact CG2-CB 4.49Å; T34-H80 PolarHBondContact OG1-N 2.89Å; T34-H80 VanDerWaalsContact OG1-N 3.09Å; T34-L85 HydrophobicContact CG2-CD1 4Å
35V88.8Confident84.1Confident7 Ų761.4 Ų61.44%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-98.4123.4177.3-175.50000109.2K24 E26 Y74 I75K24-V35 PolarHBondContact N-O 3.29Å; K24-V35 PolarHBondContact O-N 3.16Å; E26-V35 HydrophobicContact CB-CG2 4.18Å; E26-V35 HydrophobicContact CG-CG2 3.85Å; E26-V35 WeakPolarHBondContact OE2-CG2 3.35Å; V35-Y74 WeakPolarHBondContact CA-O 3.38Å; V35-I75 HydrophobicContact CG2-CG1 4.11Å; V35-I75 HydrophobicContact CG2-CG2 4.39Å
36I88.4Confident83.9Confident0 Ų057.8 Ų57.80%033%0.328CS..EExtended strand (participates in β ladder)trans-92.7110.7177.4-53.1174.1000107.8L21 M39 F57 Y74 V76L21-I36 HydrophobicContact CD1-CG2 4.07Å; L21-I36 HydrophobicContact CD2-CG2 4.27Å; L21-I36 HydrophobicContact CG-CG2 4Å; I36-M39 HydrophobicContact CB-CB 4.35Å; I36-M39 HydrophobicContact CD1-CE 3.58Å; I36-M39 HydrophobicContact CG2-CB 3.85Å; I36-M39 HydrophobicContact CG2-CE 4.19Å; I36-F57 HydrophobicContact CD1-CD2 3.75Å; I36-F57 HydrophobicContact CD1-CE2 3.64Å; I36-Y74 PolarHBondContact N-O 3.22Å; I36-V76 HydrophobicContact CD1-CG2 4.24Å
37V86.7Confident83.9Confident94 Ų9458.9 Ų58.957%0.5734%0.336SS*.SBendtrans-78.3-35.4-175-174.20000111I22 K24I22-V37 PolarHBondContact O-N 2.89Å; K24-V37 HydrophobicContact CB-CG2 4.29Å
38N88Confident84.4Confident20 Ų2057.4 Ų57.411%0.10732%0.316CS..SBendtrans-102.222.3-169.3-164.529.5000114P19 R20 I22 D41 V42P19-N38 WeakPolarHBondContact CB-ND2 3.23Å; P19-N38 WeakPolarHBondContact CG-ND2 3.31Å; R20-N38 PolarHBondContact O-ND2 3.33Å; I22-N38 HydrophobicContact CB-CB 4.28Å; I22-N38 HydrophobicContact CG1-CB 4.49Å; N38-D41 WeakPolarHBondContact OD1-CB 3.44Å; N38-D41 PolarHBondContact OD1-OD2 3.23Å; N38-V42 WeakPolarHBondContact O-CG2 3.38Å; N38-V42 PolarHBondContact O-N 2.92Å
39M85.4Confident84.9Confident0 Ų049.4 Ų49.40%029%0.285CS..Hα-helixtrans-69.6-35.3-173.3179.161.97900112.3I36 V42 A43 P50 P53 T54 F57 Y74I36-M39 HydrophobicContact CB-CB 4.35Å; I36-M39 HydrophobicContact CD1-CE 3.58Å; I36-M39 HydrophobicContact CG2-CB 3.85Å; I36-M39 HydrophobicContact CG2-CE 4.19Å; M39-V42 PolarHBondContact O-N 3.43Å; M39-A43 WeakPolarHBondContact O-CB 3.44Å; M39-A43 PolarHBondContact O-N 3.36Å; M39-P50 HydrophobicContact CG-CB 3.67Å; M39-P53 HydrophobicContact CE-CB 4.13Å; M39-P53 HydrophobicContact SD-CB 3.92Å; M39-P53 HydrophobicContact SD-CG 4.24Å; M39-T54 WeakPolarHBondContact CE-OG1 3.34Å; M39-F57 HydrophobicContact CE-CD2 4.13Å; M39-F57 HydrophobicContact CE-CE2 3.57Å; M39-Y74 HydrophobicContact CB-CD2 3.41Å; M39-Y74 VanDerWaalsContact CB-CD2 3.41Å; M39-Y74 HydrophobicContact CB-CE2 3.88Å; M39-Y74 HydrophobicContact CB-CG 4.01Å; M39-Y74 HydrophobicContact CG-CD1 4.38Å; M39-Y74 HydrophobicContact CG-CD2 3.66Å; M39-Y74 HydrophobicContact CG-CE2 3.95Å; M39-Y74 HydrophobicContact CG-CG 3.89Å
40V87.1Confident85.3Confident51 Ų5148.4 Ų48.431%0.30927%0.269SS..Hα-helixtrans-64-44.1-178.1-178.20000111.4A43 K44 D72 Y74V40-A43 PolarHBondContact O-N 3.08Å; V40-K44 WeakPolarHBondContact O-CB 3.48Å; V40-K44 PolarHBondContact O-N 2.82Å; V40-D72 HydrophobicContact CG2-CB 3.78Å; V40-Y74 HydrophobicContact CG2-CE2 3.86Å
41D86.7Confident85.8Confident93 Ų9340.9 Ų40.950%0.49723%0.23SC..Hα-helixtrans-69.6-37.8-178.8-63.7-39.7000111.8P19 N38 K44 A45P19-D41 HydrophobicContact CG-CB 3.89Å; N38-D41 WeakPolarHBondContact OD1-CB 3.44Å; N38-D41 PolarHBondContact OD1-OD2 3.23Å; D41-K44 PolarHBondContact O-N 2.81Å; D41-A45 PolarHBondContact O-N 2.89Å
42V86Confident86.3Confident2 Ų239.1 Ų39.11%0.01221%0.211CC..Hα-helixtrans-65.6-44173.5177.40000110.7M18 P19 N38 M39 K44 A45 L46 L89M18-V42 HydrophobicContact SD-CG1 4.4Å; P19-V42 HydrophobicContact CG-CG2 3.96Å; N38-V42 WeakPolarHBondContact O-CG2 3.38Å; N38-V42 PolarHBondContact O-N 2.92Å; M39-V42 PolarHBondContact O-N 3.43Å; V42-K44 VanDerWaalsContact C-N 3.31Å; V42-K44 PolarHBondContact O-N 3.2Å; V42-A45 WeakPolarHBondContact O-CB 3.28Å; V42-A45 PolarHBondContact O-N 2.71Å; V42-L46 HydrophobicContact CG1-CD1 4.01Å; V42-L46 WeakPolarHBondContact O-CG 3.48Å; V42-L46 PolarHBondContact O-N 3.06Å; V42-L89 HydrophobicContact CG1-CD1 3.86Å; V42-L89 HydrophobicContact CG1-CD2 4.48Å
43A86.4Confident86.3Confident1 Ų136.6 Ų36.61%0.00820%0.198CC..Hα-helixtrans-62.2-39.7178.100000112.1M39 V40 L46 N47 R48 P50M39-A43 WeakPolarHBondContact O-CB 3.44Å; M39-A43 PolarHBondContact O-N 3.36Å; V40-A43 PolarHBondContact O-N 3.08Å; A43-L46 PolarHBondContact O-N 3.33Å; A43-N47 PolarHBondContact O-N 2.67Å; A43-N47 VanDerWaalsContact O-N 3.14Å; A43-R48 CarbonylContact C-O 3.53Å; A43-R48 WeakPolarHBondContact CB-O 3.34Å; A43-R48 PolarHBondContact O-N 3.42Å; A43-P50 HydrophobicContact CB-CB 3.62Å; A43-P50 HydrophobicContact CB-CG 4.29Å
44K85.9Confident86.2Confident164 Ų16432.8 Ų32.871%0.71318%0.182SC*.Hα-helixtrans-63.8-40.7174.1-168.5175.4-178179.10112V40 D41 V42 L46 N47V40-K44 WeakPolarHBondContact O-CB 3.48Å; V40-K44 PolarHBondContact O-N 2.82Å; D41-K44 PolarHBondContact O-N 2.81Å; V42-K44 VanDerWaalsContact C-N 3.31Å; V42-K44 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 2.99Å; K44-N47 PolarHBondContact O-N 3.13Å
45A85.4Confident86.1Confident39 Ų3935.8 Ų35.832%0.32220%0.195SC..Hα-helixtrans-64.5-33.4175.500000112.7M18 D41 V42M18-A45 HydrophobicContact CB-CB 3.96Å; D41-A45 PolarHBondContact O-N 2.89Å; V42-A45 WeakPolarHBondContact O-CB 3.28Å; V42-A45 PolarHBondContact O-N 2.71Å
46L83.4Confident86.1Confident1 Ų135.5 Ų35.51%0.00519%0.193CC..THydrogen-bonded Turntrans-86.6-1179.1-61.6175.1000113.7V5 V42 A43 K44 R48 I93 V97V5-L46 HydrophobicContact CG1-CD2 3.74Å; V5-L46 HydrophobicContact CG2-CD2 4.46Å; V42-L46 HydrophobicContact CG1-CD1 4.01Å; V42-L46 WeakPolarHBondContact O-CG 3.48Å; V42-L46 PolarHBondContact O-N 3.06Å; A43-L46 PolarHBondContact O-N 3.33Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 2.99Å; L46-R48 HydrophobicContact CB-CB 4.49Å; L46-R48 PolarHBondContact O-N 3.32Å; L46-I93 HydrophobicContact CD1-CD1 4.44Å; L46-I93 HydrophobicContact CD1-CG1 4.2Å; L46-I93 HydrophobicContact CD2-CD1 3.87Å; L46-I93 HydrophobicContact CD2-CG1 3.87Å; L46-V97 HydrophobicContact CD2-CG1 4.18Å; L46-V97 HydrophobicContact CD2-CG2 4.48Å
47N82.9Confident86.1Confident93 Ų9335.5 Ų35.550%0.49719%0.193SC..THydrogen-bonded Turntrans49.341.4-171-67.8-52000112.6A43 K44A43-N47 PolarHBondContact O-N 2.67Å; A43-N47 VanDerWaalsContact O-N 3.14Å; K44-N47 PolarHBondContact O-N 3.13Å
48R85.3Confident86.1Confident18 Ų1831.4 Ų31.47%0.06817%0.17CC..SBendtrans-131.6151.6178.4-70.2-65.5179.3-86.3-4.1110.5A43 L46 T107A43-R48 CarbonylContact C-O 3.53Å; A43-R48 WeakPolarHBondContact CB-O 3.34Å; A43-R48 PolarHBondContact O-N 3.42Å; L46-R48 HydrophobicContact CB-CB 4.49Å; L46-R48 PolarHBondContact O-N 3.32Å; R48-T107 VanDerWaalsContact CZ-O 3.22Å; R48-T107 PolarHBondContact NH1-O 3.1Å; R48-T107 PolarHBondContact NH2-O 2.96Å; R48-T107 PolarHBondContact NH2-OG1 3.28Å
49P85.1Confident85.9Confident40 Ų4032.2 Ų32.226%0.2618%0.176SC..  trans-67.3141.3173.828.1-33.6000110.3T51 Y52 P53P49-T51 PolarHBondContact O-N 3.22Å; P49-Y52 HydrophobicContact CG-CD1 3.94Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE1 3.82Å; P49-Y52 HydrophobicContact CG-CE2 3.53Å; P49-Y52 HydrophobicContact CG-CG 3.86Å; P49-Y52 PolarHBondContact O-N 3.18Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; P49-P53 VanDerWaalsContact O-CD 3.23Å; P49-P53 WeakPolarHBondContact O-CD 3.41Å
50P85.6Confident85.9Confident28 Ų2836.4 Ų36.418%0.18220%0.196CC..THydrogen-bonded Turntrans-64.7-12.2-177.925.8-36.1000114.1M39 A43 Y52 T54 Y74M39-P50 HydrophobicContact CG-CB 3.67Å; A43-P50 HydrophobicContact CB-CB 3.62Å; A43-P50 HydrophobicContact CB-CG 4.29Å; P50-Y52 VanDerWaalsContact C-N 3.35Å; P50-T54 WeakPolarHBondContact O-CB 3.45Å; P50-T54 PolarHBondContact O-OG1 2.86Å; P50-Y74 HydrophobicContact CB-CE1 3.84Å; P50-Y74 HydrophobicContact CB-CE2 3.99Å; P50-Y74 VanDerWaalsContact CB-CZ 3.46Å; P50-Y74 WeakPolarHBondContact CB-OH 3.24Å; P50-Y74 HydrophobicContact CG-CE1 4.1Å; P50-Y74 HydrophobicContact CG-CE2 4.4Å; P50-Y74 WeakPolarHBondContact CG-OH 3.34Å
51T85.3Confident85.8Confident33 Ų3336.6 Ų36.620%0.20220%0.195CC..Hα-helixtrans-68-31.4173.454.60000112.6P49 K55P49-T51 PolarHBondContact O-N 3.22Å; T51-K55 VanDerWaalsContact O-CB 3.3Å; T51-K55 WeakPolarHBondContact O-CB 3.5Å; T51-K55 PolarHBondContact O-N 3.22Å
52Y86.6Confident85.7Confident4 Ų435.6 Ų35.62%0.01621%0.206CC..Hα-helixtrans-73.8-51.4-176.2-62.9-7.8000113.2P49 P50 T54 K55 F56 L109 F140 I141 N144 P146P49-Y52 HydrophobicContact CG-CD1 3.94Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE1 3.82Å; P49-Y52 HydrophobicContact CG-CE2 3.53Å; P49-Y52 HydrophobicContact CG-CG 3.86Å; P49-Y52 PolarHBondContact O-N 3.18Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; P50-Y52 VanDerWaalsContact C-N 3.35Å; Y52-T54 VanDerWaalsContact C-N 3.29Å; Y52-T54 PolarHBondContact O-N 3.1Å; Y52-K55 PolarHBondContact O-N 3.12Å; Y52-F56 PolarHBondContact O-N 3.19Å; Y52-L109 HydrophobicContact CE2-CD2 3.93Å; Y52-F140 HydrophobicContact CD1-CD1 4.33Å; Y52-F140 HydrophobicContact CD1-CE1 4.31Å; Y52-I141 HydrophobicContact CD1-CG1 4.18Å; Y52-I141 HydrophobicContact CD2-CD1 4.42Å; Y52-I141 HydrophobicContact CD2-CG1 4.18Å; Y52-I141 HydrophobicContact CE1-CG1 4.01Å; Y52-I141 HydrophobicContact CE2-CD1 4.49Å; Y52-I141 HydrophobicContact CE2-CG1 4.02Å; Y52-I141 HydrophobicContact CE2-CG2 4.34Å; Y52-I141 HydrophobicContact CG-CG1 4.27Å; Y52-N144 PolarHBondContact OH-O 2.89Å; Y52-P146 WeakPolarHBondContact OH-CD 2.84Å
53P87.1Confident85.7Confident1 Ų136.4 Ų36.41%0.00621%0.213CC..Hα-helixtrans-63-38.6177.7-19.131.9000111.6M39 P49 K55 F56 F57 F92M39-P53 HydrophobicContact CE-CB 4.13Å; M39-P53 HydrophobicContact SD-CB 3.92Å; M39-P53 HydrophobicContact SD-CG 4.24Å; P49-P53 VanDerWaalsContact O-CD 3.23Å; P49-P53 WeakPolarHBondContact O-CD 3.41Å; P53-K55 VanDerWaalsContact C-N 3.35Å; P53-K55 PolarHBondContact O-N 3.22Å; P53-F56 WeakPolarHBondContact O-CB 3.42Å; P53-F56 PolarHBondContact O-N 3.5Å; P53-F57 VanDerWaalsContact O-CD2 3.28Å; P53-F57 WeakPolarHBondContact O-CD2 3.16Å; P53-F57 WeakPolarHBondContact O-CG 3.39Å; P53-F57 PolarHBondContact O-N 3.07Å; P53-F92 HydrophobicContact CB-CD1 4.45Å; P53-F92 HydrophobicContact CB-CE1 4.4Å; P53-F92 HydrophobicContact CG-CD1 4.38Å; P53-F92 HydrophobicContact CG-CE1 3.89Å; P53-F92 HydrophobicContact CG-CZ 4.3Å
54T86.3Confident85.6Confident0 Ų043.6 Ų43.60%025%0.247CC..Hα-helixtrans-63.2-40.8176.4-560000111.5M39 P50 Y52 F56 F57 G58 T65 F67 Y74M39-T54 WeakPolarHBondContact CE-OG1 3.34Å; P50-T54 WeakPolarHBondContact O-CB 3.45Å; P50-T54 PolarHBondContact O-OG1 2.86Å; Y52-T54 VanDerWaalsContact C-N 3.29Å; Y52-T54 PolarHBondContact O-N 3.1Å; T54-F56 VanDerWaalsContact C-N 3.35Å; T54-F57 PolarHBondContact O-N 3.16Å; T54-G58 PolarHBondContact O-N 3.41Å; T54-T65 HydrophobicContact CG2-CG2 4.37Å; T54-T65 WeakPolarHBondContact O-CG2 3.48Å; T54-F67 HydrophobicContact CG2-CD1 3.68Å; T54-F67 HydrophobicContact CG2-CE1 3.3Å; T54-F67 HydrophobicContact CG2-CZ 4.18Å; T54-Y74 HydrophobicContact CG2-CD1 4.23Å; T54-Y74 WeakPolarHBondContact OG1-CD1 3.46Å
55K86.9Confident85.6Confident62 Ų6236.5 Ų36.527%0.2722%0.217SC..Hα-helixtrans-69.4-34.5175.9-171.465.2179.4174.40112.2T51 Y52 P53 G58 C59 F67 L137 F140T51-K55 VanDerWaalsContact O-CB 3.3Å; T51-K55 WeakPolarHBondContact O-CB 3.5Å; T51-K55 PolarHBondContact O-N 3.22Å; Y52-K55 PolarHBondContact O-N 3.12Å; P53-K55 VanDerWaalsContact C-N 3.35Å; P53-K55 PolarHBondContact O-N 3.22Å; K55-G58 PolarHBondContact O-N 3.36Å; K55-C59 PolarHBondContact O-N 3.13Å; K55-C59 VanDerWaalsContact O-N 3.1Å; K55-F67 HydrophobicContact CB-CE1 4.44Å; K55-F67 HydrophobicContact CB-CZ 4.04Å; K55-F67 HydrophobicContact CD-CE2 4.49Å; K55-F67 HydrophobicContact CD-CZ 3.96Å; K55-L137 HydrophobicContact CB-CD1 3.73Å; K55-L137 HydrophobicContact CG-CD1 3.82Å; K55-F140 HydrophobicContact CB-CD1 4.04Å; K55-F140 HydrophobicContact CB-CE1 4.09Å; K55-F140 HydrophobicContact CB-CG 4.48Å; K55-F140 HydrophobicContact CD-CD2 4.17Å; K55-F140 HydrophobicContact CD-CE2 4.28Å; K55-F140 HydrophobicContact CD-CG 4.35Å; K55-F140 HydrophobicContact CG-CB 4.17Å; K55-F140 HydrophobicContact CG-CD1 3.82Å; K55-F140 HydrophobicContact CG-CD2 4.08Å; K55-F140 HydrophobicContact CG-CE1 4.18Å; K55-F140 HydrophobicContact CG-CE2 4.43Å; K55-F140 HydrophobicContact CG-CG 3.75Å; K55-F140 HydrophobicContact CG-CZ 4.47Å
56F88.1Confident85.5Confident2 Ų239.8 Ų39.81%0.00923%0.226CC..Hα-helixtrans-58.3-47.6174.4-177.4-97.6000111.2Y52 P53 T54 G58 C59 E60 M88 F92 F96 H135 L137Y52-F56 PolarHBondContact O-N 3.19Å; P53-F56 WeakPolarHBondContact O-CB 3.42Å; P53-F56 PolarHBondContact O-N 3.5Å; T54-F56 VanDerWaalsContact C-N 3.35Å; F56-G58 VanDerWaalsContact C-N 3.29Å; F56-G58 PolarHBondContact O-N 3.4Å; F56-C59 WeakPolarHBondContact O-CB 3.45Å; F56-C59 PolarHBondContact O-N 3.08Å; F56-E60 HydrophobicContact CD1-CG 4.14Å; F56-E60 HydrophobicContact CE1-CG 3.59Å; F56-E60 HydrophobicContact CE2-CG 4.06Å; F56-E60 HydrophobicContact CZ-CG 3.55Å; F56-E60 VanDerWaalsContact CZ-OE1 3.25Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.22Å; F56-E60 PolarHBondContact O-N 3.47Å; F56-M88 HydrophobicContact CE1-CB 4.43Å; F56-M88 WeakPolarHBondContact CE1-O 3.2Å; F56-F92 HydrophobicContact CB-CD2 3.96Å; F56-F92 HydrophobicContact CD1-CB 3.72Å; F56-F92 HydrophobicContact CD1-CD2 4.33Å; F56-F92 HydrophobicContact CD1-CG 4.39Å; F56-F92 HydrophobicContact CD2-CB 4.45Å; F56-F92 AromaticContact CD2-CD2 3.88Å; F56-F92 HydrophobicContact CD2-CD2 3.88Å; F56-F92 HydrophobicContact CE1-CB 3.82Å; F56-F92 HydrophobicContact CG-CB 4.05Å; F56-F92 AromaticContact CG-CD2 3.78Å; F56-F92 HydrophobicContact CG-CD2 3.78Å; F56-F92 HydrophobicContact CG-CG 4.28Å; F56-F92 HydrophobicContact CZ-CB 4.24Å; F56-F96 HydrophobicContact CD2-CE2 4.07Å; F56-F96 AromaticContact CE2-CE2 3.97Å; F56-F96 HydrophobicContact CE2-CE2 3.97Å; F56-H135 AromaticContact CD2-CE1 3.49Å; F56-H135 VanDerWaalsContact CD2-CE1 3.49Å; F56-H135 WeakPolarHBondContact CD2-CE1 3.41Å; F56-H135 AromaticContact CE2-CE1 3.36Å; F56-H135 WeakPolarHBondContact CE2-CE1 3.5Å; F56-H135 AromaticContact CE2-NE2 3.64Å; F56-L137 HydrophobicContact CB-CD2 4.08Å; F56-L137 HydrophobicContact CD2-CD2 4.08Å
57F88.2Confident85.4Confident0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-56.7-41.5174.5-62-39.6000112.8L21 I36 M39 P53 T54 C59 E60 L61 V76 L85 M88 L89L21-F57 HydrophobicContact CD1-CE2 4.25Å; L21-F57 HydrophobicContact CD1-CZ 4.14Å; I36-F57 HydrophobicContact CD1-CD2 3.75Å; I36-F57 HydrophobicContact CD1-CE2 3.64Å; M39-F57 HydrophobicContact CE-CD2 4.13Å; M39-F57 HydrophobicContact CE-CE2 3.57Å; P53-F57 VanDerWaalsContact O-CD2 3.28Å; P53-F57 WeakPolarHBondContact O-CD2 3.16Å; P53-F57 WeakPolarHBondContact O-CG 3.39Å; P53-F57 PolarHBondContact O-N 3.07Å; T54-F57 PolarHBondContact O-N 3.16Å; F57-C59 VanDerWaalsContact C-N 3.28Å; F57-C59 PolarHBondContact O-N 2.91Å; F57-E60 PolarHBondContact O-N 2.84Å; F57-L61 HydrophobicContact CB-CD1 4.38Å; F57-L61 WeakPolarHBondContact O-CB 3.46Å; F57-L61 WeakPolarHBondContact O-CG 3.45Å; F57-L61 PolarHBondContact O-N 3.07Å; F57-V76 HydrophobicContact CB-CG2 4.42Å; F57-L85 HydrophobicContact CD1-CD2 4.1Å; F57-L85 HydrophobicContact CD2-CD2 4.25Å; F57-L85 HydrophobicContact CE1-CD2 4.32Å; F57-L85 WeakPolarHBondContact CE1-O 3.14Å; F57-L85 HydrophobicContact CE2-CD2 4.44Å; F57-L85 HydrophobicContact CG-CD2 4.07Å; F57-L85 HydrophobicContact CZ-CD2 4.47Å; F57-M88 HydrophobicContact CD1-CB 3.9Å; F57-M88 HydrophobicContact CD1-SD 4.42Å; F57-M88 HydrophobicContact CE1-CB 3.79Å; F57-L89 HydrophobicContact CE1-CB 4.11Å; F57-L89 HydrophobicContact CZ-CB 3.95Å; F57-L89 HydrophobicContact CZ-CD1 3.96Å; F57-L89 HydrophobicContact CZ-CG 4.45Å
58G86.1Confident85.2Confident8 Ų841 Ų418%0.08223%0.23CC..Hα-helixtrans-64.8-30.617600000114T54 K55 F56 G62 A63T54-G58 PolarHBondContact O-N 3.41Å; K55-G58 PolarHBondContact O-N 3.36Å; F56-G58 VanDerWaalsContact C-N 3.29Å; F56-G58 PolarHBondContact O-N 3.4Å; G58-G62 CarbonylContact O-C 3.38Å; G58-G62 WeakPolarHBondContact O-CA 3.46Å; G58-G62 PolarHBondContact O-N 3.34Å; G58-A63 CarbonylContact C-O 3.35Å; G58-A63 WeakPolarHBondContact CA-O 3.39Å; G58-A63 PolarHBondContact O-N 3.41Å
59C84.9Confident84.6Confident36 Ų3645 Ų4524%0.24326%0.257CS..Hα-helixtrans-75.4-42.9177.2-72.60000112.6K55 F56 F57K55-C59 PolarHBondContact O-N 3.13Å; K55-C59 VanDerWaalsContact O-N 3.1Å; F56-C59 WeakPolarHBondContact O-CB 3.45Å; F56-C59 PolarHBondContact O-N 3.08Å; F57-C59 VanDerWaalsContact C-N 3.28Å; F57-C59 PolarHBondContact O-N 2.91Å
60E85.1Confident84.1Confident89 Ų8952.2 Ų52.242%0.41628%0.284SS..Hα-helixtrans-73.8-41.6-179.4-67.9-68.817900111.7F56 F57 G62 M88 H135F56-E60 HydrophobicContact CD1-CG 4.14Å; F56-E60 HydrophobicContact CE1-CG 3.59Å; F56-E60 HydrophobicContact CE2-CG 4.06Å; F56-E60 HydrophobicContact CZ-CG 3.55Å; F56-E60 VanDerWaalsContact CZ-OE1 3.25Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.22Å; F56-E60 PolarHBondContact O-N 3.47Å; F57-E60 PolarHBondContact O-N 2.84Å; E60-G62 VanDerWaalsContact C-N 3.3Å; E60-G62 PolarHBondContact O-N 3.01Å; E60-M88 HydrophobicContact CB-SD 3.93Å; E60-H135 IonicContact OE1-NE2 2.64Å; E60-H135 PolarHBondContact OE1-NE2 2.9Å
61L84.7Confident83.6Confident55 Ų5556 Ų5629%0.28830%0.303SS..SBendtrans-82.7-6.1180-65.1169.3000113.8F57 A63 V76 L85 M88F57-L61 HydrophobicContact CB-CD1 4.38Å; F57-L61 WeakPolarHBondContact O-CB 3.46Å; F57-L61 WeakPolarHBondContact O-CG 3.45Å; F57-L61 PolarHBondContact O-N 3.07Å; L61-A63 HydrophobicContact CB-CB 4.15Å; L61-A63 PolarHBondContact O-N 3.1Å; L61-V76 HydrophobicContact CD1-CG1 4.2Å; L61-L85 HydrophobicContact CD1-CD2 4.18Å; L61-M88 HydrophobicContact CD1-CE 3.8Å; L61-M88 HydrophobicContact CD1-SD 4.17Å; L61-M88 HydrophobicContact CD2-CE 3.55Å; L61-M88 HydrophobicContact CD2-SD 3.68Å; L61-M88 HydrophobicContact CG-CE 3.77Å; L61-M88 HydrophobicContact CG-SD 3.63Å
62G84.3Confident83.1Confident71 Ų7158.7 Ų58.773%0.73232%0.315SS*.  trans63.219.1-171.900000113.8G58 E60G58-G62 CarbonylContact O-C 3.38Å; G58-G62 WeakPolarHBondContact O-CA 3.46Å; G58-G62 PolarHBondContact O-N 3.34Å; E60-G62 VanDerWaalsContact C-N 3.3Å; E60-G62 PolarHBondContact O-N 3.01Å
63A85.6Confident82.9Confident19 Ų1963.8 Ų63.816%0.15734%0.335CS..  trans-96.5146.3-174.600000112.7G58 L61 V76 N77G58-A63 CarbonylContact C-O 3.35Å; G58-A63 WeakPolarHBondContact CA-O 3.39Å; G58-A63 PolarHBondContact O-N 3.41Å; L61-A63 HydrophobicContact CB-CB 4.15Å; L61-A63 PolarHBondContact O-N 3.1Å; A63-V76 HydrophobicContact CB-CG1 3.91Å; A63-N77 WeakPolarHBondContact CB-O 3.47Å
64Q84Confident82.9Confident152 Ų15263.9 Ų63.971%0.7134%0.335SS*.  trans-74.5134.5169.1-167.7177.612.200110.2N77Q64-N77 WeakPolarHBondContact O-CB 3.35Å; Q64-N77 PolarHBondContact O-N 3.13Å; Q64-N77 VanDerWaalsContact O-N 3.08Å
65T86.7Confident83Confident15 Ų1564.8 Ų64.89%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-110.1137.6-179.444.40000110.6T54 F67 I75 V76T54-T65 HydrophobicContact CG2-CG2 4.37Å; T54-T65 WeakPolarHBondContact O-CG2 3.48Å; T65-F67 VanDerWaalsContact OG1-CZ 3.23Å; T65-F67 WeakPolarHBondContact OG1-CZ 3.22Å; T65-I75 WeakPolarHBondContact CA-O 3.2Å; T65-V76 HydrophobicContact CG2-CG1 4.3Å; T65-V76 HydrophobicContact CG2-CG2 4.22Å
66Q82.8Confident83.1Confident108 Ų10861.9 Ų61.951%0.50533%0.327SS..EExtended strand (participates in β ladder)trans-119128176.2-174.2177.85.400108.8I75Q66-I75 HydrophobicContact CB-CB 4.32Å; Q66-I75 PolarHBondContact N-O 3.13Å; Q66-I75 PolarHBondContact O-N 3.48Å
67F81.6Confident83.1Confident58 Ų5864.2 Ų64.225%0.25434%0.34SS..EExtended strand (participates in β ladder)trans-116.9125.9-177.1-42.8-95.8000108.5T54 K55 T65 Y74T54-F67 HydrophobicContact CG2-CD1 3.68Å; T54-F67 HydrophobicContact CG2-CE1 3.3Å; T54-F67 HydrophobicContact CG2-CZ 4.18Å; K55-F67 HydrophobicContact CB-CE1 4.44Å; K55-F67 HydrophobicContact CB-CZ 4.04Å; K55-F67 HydrophobicContact CD-CE2 4.49Å; K55-F67 HydrophobicContact CD-CZ 3.96Å; T65-F67 VanDerWaalsContact OG1-CZ 3.23Å; T65-F67 WeakPolarHBondContact OG1-CZ 3.22Å; F67-Y74 HydrophobicContact CD1-CD1 4.12Å
68D79.6Confident82.9Confident62 Ų6265.5 Ų65.533%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-116.392.3167.8-170.5-11.6000109.4K70 N71 D72 R73D68-K70 PolarHBondContact O-N 3.05Å; D68-K70 VanDerWaalsContact O-N 3.15Å; D68-K70 PolarHBondContact OD1-N 3Å; D68-K70 VanDerWaalsContact OD1-N 3.13Å; D68-N71 HydrophobicContact CB-CB 4.49Å; D68-N71 PolarHBondContact O-N 2.56Å; D68-N71 PolarHBondContact OD1-N 3.02Å; D68-N71 PolarHBondContact OD2-ND2 2.94Å; D68-D72 PolarHBondContact O-N 3.13Å; D68-D72 VanDerWaalsContact O-N 3.1Å; D68-R73 PolarHBondContact N-O 3.33Å; D68-R73 VanDerWaalsContact N-O 3.13Å; D68-R73 PolarHBondContact O-N 3.43Å
69T71.8Confident82.7Confident103 Ų10369.1 Ų69.163%0.63238%0.377SS*.THydrogen-bonded Turntrans-63.6-14.9-178.9-40.80000113
70K76.1Confident82.6Confident191 Ų19168.9 Ų68.983%0.8337%0.372SS*.THydrogen-bonded Turntrans-89.3-28179.8-67.8-175.7179.6-178.80113.1D68D68-K70 PolarHBondContact O-N 3.05Å; D68-K70 VanDerWaalsContact O-N 3.15Å; D68-K70 PolarHBondContact OD1-N 3Å; D68-K70 VanDerWaalsContact OD1-N 3.13Å
71N74.3Confident82.7Confident108 Ų10870.3 Ų70.358%0.57838%0.378SS*.THydrogen-bonded Turntrans-109.74.4-176.8-69.1-52.4000112.4D68 R73D68-N71 HydrophobicContact CB-CB 4.49Å; D68-N71 PolarHBondContact O-N 2.56Å; D68-N71 PolarHBondContact OD1-N 3.02Å; D68-N71 PolarHBondContact OD2-ND2 2.94Å; N71-R73 HydrophobicContact CB-CG 4.37Å; N71-R73 PolarHBondContact O-N 3.32Å
72D75.3Confident82.7Confident88 Ų8869.1 Ų69.147%0.47138%0.377SS..THydrogen-bonded Turntrans51.928.3-176.5-65.6-39.5000113.6V40 D68 Y74V40-D72 HydrophobicContact CG2-CB 3.78Å; D68-D72 PolarHBondContact O-N 3.13Å; D68-D72 VanDerWaalsContact O-N 3.1Å; D72-Y74 WeakPolarHBondContact O-CD2 3.45Å; D72-Y74 WeakPolarHBondContact O-CE2 3.34Å
73R81.8Confident82.8Confident111 Ų11170 Ų7042%0.41937%0.365SS..EExtended strand (participates in β ladder)trans-99.2119.6179.5-73.2-17873.8-159.25.1110.3E26 D68 N71E26-R73 IonicContact OE2-NH2 2.96Å; E26-R73 PolarHBondContact OE2-NH2 3.36Å; D68-R73 PolarHBondContact N-O 3.33Å; D68-R73 VanDerWaalsContact N-O 3.13Å; D68-R73 PolarHBondContact O-N 3.43Å; N71-R73 HydrophobicContact CB-CG 4.37Å; N71-R73 PolarHBondContact O-N 3.32Å
74Y87.2Confident82.9Confident4 Ų475.5 Ų75.52%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-111.4117.9177.2-57-81.9000109.5V35 I36 M39 V40 P50 T54 F67 D72V35-Y74 WeakPolarHBondContact CA-O 3.38Å; I36-Y74 PolarHBondContact N-O 3.22Å; M39-Y74 HydrophobicContact CB-CD2 3.41Å; M39-Y74 VanDerWaalsContact CB-CD2 3.41Å; M39-Y74 HydrophobicContact CB-CE2 3.88Å; M39-Y74 HydrophobicContact CB-CG 4.01Å; M39-Y74 HydrophobicContact CG-CD1 4.38Å; M39-Y74 HydrophobicContact CG-CD2 3.66Å; M39-Y74 HydrophobicContact CG-CE2 3.95Å; M39-Y74 HydrophobicContact CG-CG 3.89Å; V40-Y74 HydrophobicContact CG2-CE2 3.86Å; P50-Y74 HydrophobicContact CB-CE1 3.84Å; P50-Y74 HydrophobicContact CB-CE2 3.99Å; P50-Y74 VanDerWaalsContact CB-CZ 3.46Å; P50-Y74 WeakPolarHBondContact CB-OH 3.24Å; P50-Y74 HydrophobicContact CG-CE1 4.1Å; P50-Y74 HydrophobicContact CG-CE2 4.4Å; P50-Y74 WeakPolarHBondContact CG-OH 3.34Å; T54-Y74 HydrophobicContact CG2-CD1 4.23Å; T54-Y74 WeakPolarHBondContact OG1-CD1 3.46Å; F67-Y74 HydrophobicContact CD1-CD1 4.12Å; D72-Y74 WeakPolarHBondContact O-CD2 3.45Å; D72-Y74 WeakPolarHBondContact O-CE2 3.34Å
75I87.8Confident83Confident19 Ų1968.2 Ų68.210%0.09735%0.351CS..EExtended strand (participates in β ladder)trans-118.9126.9-173.7-49.2-178.7000109.2K33 V35 T65 Q66K33-I75 HydrophobicContact CB-CG2 3.67Å; K33-I75 HydrophobicContact CD-CG2 3.92Å; K33-I75 HydrophobicContact CG-CG2 4.31Å; V35-I75 HydrophobicContact CG2-CG1 4.11Å; V35-I75 HydrophobicContact CG2-CG2 4.39Å; T65-I75 WeakPolarHBondContact CA-O 3.2Å; Q66-I75 HydrophobicContact CB-CB 4.32Å; Q66-I75 PolarHBondContact N-O 3.13Å; Q66-I75 PolarHBondContact O-N 3.48Å
76V89.1Confident83Confident0 Ų069.5 Ų69.50%036%0.356CS..EExtended strand (participates in β ladder)trans-111.4124.9171.9-172.60000107.5K33 T34 I36 F57 L61 A63 T65K33-V76 CarbonylContact C-O 3.52Å; T34-V76 PolarHBondContact N-O 3.02Å; T34-V76 PolarHBondContact O-N 3.1Å; I36-V76 HydrophobicContact CD1-CG2 4.24Å; F57-V76 HydrophobicContact CB-CG2 4.42Å; L61-V76 HydrophobicContact CD1-CG1 4.2Å; A63-V76 HydrophobicContact CB-CG1 3.91Å; T65-V76 HydrophobicContact CG2-CG1 4.3Å; T65-V76 HydrophobicContact CG2-CG2 4.22Å
77N87.5Confident83.2Confident52 Ų5268.2 Ų68.228%0.27835%0.353SS..EExtended strand (participates in β ladder)trans-67.4140.3174.5-72.9-17.6000110A63 Q64 H80A63-N77 WeakPolarHBondContact CB-O 3.47Å; Q64-N77 WeakPolarHBondContact O-CB 3.35Å; Q64-N77 PolarHBondContact O-N 3.13Å; Q64-N77 VanDerWaalsContact O-N 3.08Å; N77-H80 PolarHBondContact O-NE2 2.92Å
78G84.8Confident83.5Confident26 Ų2667 Ų6727%0.26835%0.348SS..SBendtrans110.5160.3-176.700000113.4I32 T34I32-G78 PolarHBondContact O-N 2.92Å; T34-G78 PolarHBondContact N-O 2.72Å; T34-G78 PolarHBondContact OG1-O 3.38Å
79S82.3Confident83.9Confident85 Ų8564.3 Ų64.359%0.59433%0.333SS*.  trans-89.110517353.90000109.5
80H82.8Confident84.6Confident31 Ų3160 Ų6014%0.14431%0.307CS..  trans-122.7128177.9-59-66000110.4T34 N77 L85T34-H80 HydrophobicContact CG2-CB 4.49Å; T34-H80 PolarHBondContact OG1-N 2.89Å; T34-H80 VanDerWaalsContact OG1-N 3.09Å; N77-H80 PolarHBondContact O-NE2 2.92Å; H80-L85 HydrophobicContact CB-CD1 4.08Å; H80-L85 HydrophobicContact CB-CD2 4.21Å; H80-L85 HydrophobicContact CB-CG 4.02Å
81E86.1Confident85.1Confident118 Ų11852.1 Ų52.155%0.55128%0.279SS*.  trans-73.4149.9173.5-164.8-177.6165.700110.6N83 K84 L85E81-N83 PolarHBondContact O-N 3.04Å; E81-N83 PolarHBondContact OE1-ND2 2.88Å; E81-K84 PolarHBondContact O-N 2.93Å; E81-L85 PolarHBondContact O-N 3.1Å
82A85.4Confident85.7Confident30 Ų3047 Ų4725%0.24825%0.252CS..Hα-helixtrans-59.8-32-179.700000113.2A23 L85 Q86A23-A82 HydrophobicContact CB-CB 4.39Å; A82-L85 PolarHBondContact O-N 3.05Å; A82-Q86 WeakPolarHBondContact O-CG 3.21Å; A82-Q86 PolarHBondContact O-N 3.41Å
83N87Confident86.3Confident90 Ų9043 Ų4348%0.48123%0.23SC..Hα-helixtrans-66.4-50.6179.6-65.1-37.4000111.6E81 L85 Q86 D87E81-N83 PolarHBondContact O-N 3.04Å; E81-N83 PolarHBondContact OE1-ND2 2.88Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 2.93Å; N83-Q86 WeakPolarHBondContact O-CA 3.22Å; N83-Q86 WeakPolarHBondContact O-CB 3.43Å; N83-Q86 PolarHBondContact O-N 2.88Å; N83-D87 PolarHBondContact O-N 3.37Å
84K86.9Confident86.5Confident134 Ų13445.1 Ų45.158%0.58324%0.238SC*.Hα-helixtrans-58.8-38.1176-63.7-172-179.3-173.60112.1E81 Q86 D87 M88E81-K84 PolarHBondContact O-N 2.93Å; K84-Q86 VanDerWaalsContact C-N 3.33Å; K84-D87 PolarHBondContact O-N 3.3Å; K84-M88 HydrophobicContact CB-CE 4.38Å; K84-M88 WeakPolarHBondContact O-CE 3.35Å; K84-M88 PolarHBondContact O-N 3.08Å; K84-M88 VanDerWaalsContact O-N 3.14Å
85L86.1Confident86.3Confident0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-67.2-31.7174.8-70.8172000113.1L21 A23 T34 F57 L61 H80 E81 A82 N83 M88 L89L21-L85 HydrophobicContact CD2-CB 3.73Å; L21-L85 HydrophobicContact CD2-CD1 3.98Å; A23-L85 HydrophobicContact CB-CD1 3.71Å; T34-L85 HydrophobicContact CG2-CD1 4Å; F57-L85 HydrophobicContact CD1-CD2 4.1Å; F57-L85 HydrophobicContact CD2-CD2 4.25Å; F57-L85 HydrophobicContact CE1-CD2 4.32Å; F57-L85 WeakPolarHBondContact CE1-O 3.14Å; F57-L85 HydrophobicContact CE2-CD2 4.44Å; F57-L85 HydrophobicContact CG-CD2 4.07Å; F57-L85 HydrophobicContact CZ-CD2 4.47Å; L61-L85 HydrophobicContact CD1-CD2 4.18Å; H80-L85 HydrophobicContact CB-CD1 4.08Å; H80-L85 HydrophobicContact CB-CD2 4.21Å; H80-L85 HydrophobicContact CB-CG 4.02Å; E81-L85 PolarHBondContact O-N 3.1Å; A82-L85 PolarHBondContact O-N 3.05Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 2.93Å; L85-M88 HydrophobicContact CD2-CE 3.88Å; L85-M88 HydrophobicContact CG-CE 4.48Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 PolarHBondContact O-N 2.91Å
86Q87.2Confident85.9Confident41 Ų4150.3 Ų50.319%0.19226%0.26CS..Hα-helixtrans-70.3-44.4173.8-75.1177.124.500111.6L21 A82 N83 K84 M88 L89 D90L21-Q86 HydrophobicContact CB-CG 3.94Å; L21-Q86 PolarHBondContact O-NE2 3.16Å; A82-Q86 WeakPolarHBondContact O-CG 3.21Å; A82-Q86 PolarHBondContact O-N 3.41Å; N83-Q86 WeakPolarHBondContact O-CA 3.22Å; N83-Q86 WeakPolarHBondContact O-CB 3.43Å; N83-Q86 PolarHBondContact O-N 2.88Å; K84-Q86 VanDerWaalsContact C-N 3.33Å; Q86-M88 VanDerWaalsContact C-N 3.33Å; Q86-M88 PolarHBondContact O-N 3.16Å; Q86-L89 CarbonylContact O-C 3.59Å; Q86-L89 WeakPolarHBondContact O-CA 3.48Å; Q86-L89 WeakPolarHBondContact O-CB 3.16Å; Q86-L89 PolarHBondContact O-N 2.83Å; Q86-D90 PolarHBondContact O-N 3.3Å
87D87.8Confident85.7Confident82 Ų8250.3 Ų50.344%0.43926%0.26SS..Hα-helixtrans-61.8-41177.9-66.9-42.8000112.2R7 N83 K84 L89 D90 G91R7-D87 IonicContact CZ-OD1 2.92Å; R7-D87 IonicContact NH1-OD1 2.9Å; R7-D87 PolarHBondContact NH1-OD1 3.18Å; R7-D87 IonicContact NH2-OD1 3.33Å; N83-D87 PolarHBondContact O-N 3.37Å; K84-D87 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.47Å; D87-D90 WeakPolarHBondContact O-CB 3.45Å; D87-D90 PolarHBondContact O-N 2.95Å; D87-G91 PolarHBondContact O-N 3.4Å
88M87.2Confident85.6Confident33 Ų3348.4 Ų48.416%0.16325%0.25CC..Hα-helixtrans-65.1-36.9173-74.3-176.8-83.300112.2F56 F57 E60 L61 K84 L85 Q86 D90 G91 F92F56-M88 HydrophobicContact CE1-CB 4.43Å; F56-M88 WeakPolarHBondContact CE1-O 3.2Å; F57-M88 HydrophobicContact CD1-CB 3.9Å; F57-M88 HydrophobicContact CD1-SD 4.42Å; F57-M88 HydrophobicContact CE1-CB 3.79Å; E60-M88 HydrophobicContact CB-SD 3.93Å; L61-M88 HydrophobicContact CD1-CE 3.8Å; L61-M88 HydrophobicContact CD1-SD 4.17Å; L61-M88 HydrophobicContact CD2-CE 3.55Å; L61-M88 HydrophobicContact CD2-SD 3.68Å; L61-M88 HydrophobicContact CG-CE 3.77Å; L61-M88 HydrophobicContact CG-SD 3.63Å; K84-M88 HydrophobicContact CB-CE 4.38Å; K84-M88 WeakPolarHBondContact O-CE 3.35Å; K84-M88 PolarHBondContact O-N 3.08Å; K84-M88 VanDerWaalsContact O-N 3.14Å; L85-M88 HydrophobicContact CD2-CE 3.88Å; L85-M88 HydrophobicContact CG-CE 4.48Å; Q86-M88 VanDerWaalsContact C-N 3.33Å; Q86-M88 PolarHBondContact O-N 3.16Å; M88-D90 VanDerWaalsContact C-N 3.32Å; M88-G91 PolarHBondContact O-N 2.75Å; M88-F92 PolarHBondContact O-N 2.67Å
89L87.1Confident85.5Confident4 Ų447.2 Ų47.22%0.02124%0.238CC..Hα-helixtrans-66.2-37.2176.7-170.3138.8000111.3M18 L21 V42 F57 L85 Q86 D87 G91 F92 I93M18-L89 HydrophobicContact CE-CD2 3.74Å; M18-L89 HydrophobicContact SD-CD2 3.82Å; L21-L89 HydrophobicContact CD1-CD1 3.79Å; V42-L89 HydrophobicContact CG1-CD1 3.86Å; V42-L89 HydrophobicContact CG1-CD2 4.48Å; F57-L89 HydrophobicContact CE1-CB 4.11Å; F57-L89 HydrophobicContact CZ-CB 3.95Å; F57-L89 HydrophobicContact CZ-CD1 3.96Å; F57-L89 HydrophobicContact CZ-CG 4.45Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 PolarHBondContact O-N 2.91Å; Q86-L89 CarbonylContact O-C 3.59Å; Q86-L89 WeakPolarHBondContact O-CA 3.48Å; Q86-L89 WeakPolarHBondContact O-CB 3.16Å; Q86-L89 PolarHBondContact O-N 2.83Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.47Å; L89-G91 VanDerWaalsContact C-N 3.32Å; L89-G91 PolarHBondContact O-N 3.14Å; L89-F92 WeakPolarHBondContact O-CB 3.41Å; L89-F92 PolarHBondContact O-N 3.48Å; L89-F92 VanDerWaalsContact O-N 3.16Å; L89-I93 HydrophobicContact CD2-CD1 3.44Å; L89-I93 VanDerWaalsContact CD2-CD1 3.44Å; L89-I93 HydrophobicContact CD2-CG1 4.14Å; L89-I93 WeakPolarHBondContact O-CG1 3.47Å; L89-I93 PolarHBondContact O-N 3.21Å
90D86.8Confident85.3Confident14 Ų1447.8 Ų47.88%0.07524%0.239CC..Hα-helixtrans-61.9-41.7172.3-69.1-18.9000110.9R7 Q86 D87 M88 F92 I93 R94R7-D90 WeakPolarHBondContact CD-OD2 3.28Å; R7-D90 IonicContact CZ-OD2 2.79Å; R7-D90 IonicContact NE-OD2 3.83Å; R7-D90 IonicContact NH1-OD2 3.01Å; R7-D90 PolarHBondContact NH1-OD2 3.38Å; Q86-D90 PolarHBondContact O-N 3.3Å; D87-D90 WeakPolarHBondContact O-CB 3.45Å; D87-D90 PolarHBondContact O-N 2.95Å; M88-D90 VanDerWaalsContact C-N 3.32Å; D90-F92 VanDerWaalsContact C-N 3.3Å; D90-F92 PolarHBondContact O-N 3.42Å; D90-I93 PolarHBondContact O-N 3.35Å; D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 2.87Å
91G86.7Confident85.2Confident24 Ų2452.2 Ų52.225%0.24726%0.26CS..Hα-helixtrans-59.6-38.3172.400000113.2D87 M88 L89 K95D87-G91 PolarHBondContact O-N 3.4Å; M88-G91 PolarHBondContact O-N 2.75Å; L89-G91 VanDerWaalsContact C-N 3.32Å; L89-G91 PolarHBondContact O-N 3.14Å; G91-K95 WeakPolarHBondContact O-CG 3.42Å; G91-K95 PolarHBondContact O-N 3.28Å
92F87.4Confident84.8Confident2 Ų248.3 Ų48.31%0.00925%0.245CC..Hα-helixtrans-66.3-44.5173.4174.6-102000112.1P53 F56 M88 L89 D90 R94 K95 F96 V97 L137P53-F92 HydrophobicContact CB-CD1 4.45Å; P53-F92 HydrophobicContact CB-CE1 4.4Å; P53-F92 HydrophobicContact CG-CD1 4.38Å; P53-F92 HydrophobicContact CG-CE1 3.89Å; P53-F92 HydrophobicContact CG-CZ 4.3Å; F56-F92 HydrophobicContact CB-CD2 3.96Å; F56-F92 HydrophobicContact CD1-CB 3.72Å; F56-F92 HydrophobicContact CD1-CD2 4.33Å; F56-F92 HydrophobicContact CD1-CG 4.39Å; F56-F92 HydrophobicContact CD2-CB 4.45Å; F56-F92 AromaticContact CD2-CD2 3.88Å; F56-F92 HydrophobicContact CD2-CD2 3.88Å; F56-F92 HydrophobicContact CE1-CB 3.82Å; F56-F92 HydrophobicContact CG-CB 4.05Å; F56-F92 AromaticContact CG-CD2 3.78Å; F56-F92 HydrophobicContact CG-CD2 3.78Å; F56-F92 HydrophobicContact CG-CG 4.28Å; F56-F92 HydrophobicContact CZ-CB 4.24Å; M88-F92 PolarHBondContact O-N 2.67Å; L89-F92 WeakPolarHBondContact O-CB 3.41Å; L89-F92 PolarHBondContact O-N 3.48Å; L89-F92 VanDerWaalsContact O-N 3.16Å; D90-F92 VanDerWaalsContact C-N 3.3Å; D90-F92 PolarHBondContact O-N 3.42Å; F92-R94 PolarHBondContact O-N 3.28Å; F92-K95 PolarHBondContact O-N 2.89Å; F92-F96 HydrophobicContact CD2-CB 4.06Å; F92-F96 AromaticContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CE2 4.11Å; F92-F96 AromaticContact CD2-CG 3.97Å; F92-F96 HydrophobicContact CD2-CG 3.97Å; F92-F96 HydrophobicContact CE2-CB 3.64Å; F92-F96 AromaticContact CE2-CD2 3.58Å; F92-F96 HydrophobicContact CE2-CD2 3.58Å; F92-F96 HydrophobicContact CE2-CE2 4.41Å; F92-F96 AromaticContact CE2-CG 3.7Å; F92-F96 HydrophobicContact CE2-CG 3.7Å; F92-F96 HydrophobicContact CG-CD2 4.29Å; F92-F96 HydrophobicContact CZ-CB 3.95Å; F92-F96 HydrophobicContact CZ-CG 4.48Å; F92-F96 WeakPolarHBondContact O-CB 3.5Å; F92-F96 PolarHBondContact O-N 2.93Å; F92-V97 HydrophobicContact CD1-CG2 4.26Å; F92-V97 HydrophobicContact CE1-CG2 3.84Å; F92-L137 HydrophobicContact CD2-CD2 4.01Å; F92-L137 HydrophobicContact CE2-CD2 3.55Å
93I88.1Confident84.5Confident2 Ų251.4 Ų51.41%0.0126%0.258CS..Iπ-helixtrans-60.1-48179.4-70.9170.2000110.4V5 M18 L46 L89 D90 K95 V97 L98V5-I93 HydrophobicContact CG1-CD1 4.21Å; V5-I93 HydrophobicContact CG1-CG2 4.07Å; V5-I93 WeakPolarHBondContact O-CD1 3.29Å; M18-I93 HydrophobicContact CE-CD1 3.85Å; M18-I93 HydrophobicContact SD-CD1 3.84Å; L46-I93 HydrophobicContact CD1-CD1 4.44Å; L46-I93 HydrophobicContact CD1-CG1 4.2Å; L46-I93 HydrophobicContact CD2-CD1 3.87Å; L46-I93 HydrophobicContact CD2-CG1 3.87Å; L89-I93 HydrophobicContact CD2-CD1 3.44Å; L89-I93 VanDerWaalsContact CD2-CD1 3.44Å; L89-I93 HydrophobicContact CD2-CG1 4.14Å; L89-I93 WeakPolarHBondContact O-CG1 3.47Å; L89-I93 PolarHBondContact O-N 3.21Å; D90-I93 PolarHBondContact O-N 3.35Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-K95 PolarHBondContact O-N 3.31Å; I93-V97 HydrophobicContact CB-CB 4.48Å; I93-V97 HydrophobicContact CG1-CG2 4.42Å; I93-V97 HydrophobicContact CG2-CB 4.23Å; I93-V97 WeakPolarHBondContact O-CA 3.11Å; I93-V97 WeakPolarHBondContact O-CB 3.47Å; I93-V97 PolarHBondContact O-N 3.04Å; I93-L98 HydrophobicContact CG2-CD1 4.2Å; I93-L98 HydrophobicContact CG2-CD2 4.03Å; I93-L98 HydrophobicContact CG2-CG 3.79Å; I93-L98 PolarHBondContact O-N 2.63Å
94R85Confident84.2Confident157 Ų15749.3 Ų49.359%0.59225%0.246SC*.Iπ-helixtrans-59.9-38.8179.4-69.2-179.3-164-173.65.6113.2D90 F92 L98D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 2.87Å; F92-R94 PolarHBondContact O-N 3.28Å; R94-L98 HydrophobicContact CG-CD1 4.34Å
95K82.4Confident83.9Confident120 Ų12043.2 Ų43.252%0.52222%0.221SC..Iπ-helixtrans-86.8-33.5-175.5-68.2178.7-176.41750114.1G91 F92 I93G91-K95 WeakPolarHBondContact O-CG 3.42Å; G91-K95 PolarHBondContact O-N 3.28Å; F92-K95 PolarHBondContact O-N 2.89Å; I93-K95 VanDerWaalsContact C-N 3.32Å; I93-K95 PolarHBondContact O-N 3.31Å
96F80.3Confident83.7Confident11 Ų1146.3 Ų46.35%0.04824%0.235CC..Iπ-helixtrans-122.1-15.8-167.3-65.5-80000115.4F56 F92 L131 H135 L137F56-F96 HydrophobicContact CD2-CE2 4.07Å; F56-F96 AromaticContact CE2-CE2 3.97Å; F56-F96 HydrophobicContact CE2-CE2 3.97Å; F92-F96 HydrophobicContact CD2-CB 4.06Å; F92-F96 AromaticContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CE2 4.11Å; F92-F96 AromaticContact CD2-CG 3.97Å; F92-F96 HydrophobicContact CD2-CG 3.97Å; F92-F96 HydrophobicContact CE2-CB 3.64Å; F92-F96 AromaticContact CE2-CD2 3.58Å; F92-F96 HydrophobicContact CE2-CD2 3.58Å; F92-F96 HydrophobicContact CE2-CE2 4.41Å; F92-F96 AromaticContact CE2-CG 3.7Å; F92-F96 HydrophobicContact CE2-CG 3.7Å; F92-F96 HydrophobicContact CG-CD2 4.29Å; F92-F96 HydrophobicContact CZ-CB 3.95Å; F92-F96 HydrophobicContact CZ-CG 4.48Å; F92-F96 WeakPolarHBondContact O-CB 3.5Å; F92-F96 PolarHBondContact O-N 2.93Å; F96-L131 HydrophobicContact CD1-CD1 4.45Å; F96-H135 HydrophobicContact CZ-CB 3.83Å; F96-H135 AromaticContact CZ-CG 3.94Å; F96-H135 AromaticContact CZ-ND1 3.95Å; F96-L137 HydrophobicContact CD2-CD2 4.3Å; F96-L137 HydrophobicContact CE1-CD2 4.27Å; F96-L137 HydrophobicContact CE2-CD2 4.01Å; F96-L137 HydrophobicContact CZ-CB 4.26Å; F96-L137 HydrophobicContact CZ-CD2 3.99Å
97V84.4Confident83.5Confident0 Ų044.4 Ų44.40%023%0.226CC..Iπ-helixtrans-112.8-45.8-175.3-176.70000111.3L46 F92 I93 P105 T107L46-V97 HydrophobicContact CD2-CG1 4.18Å; L46-V97 HydrophobicContact CD2-CG2 4.48Å; F92-V97 HydrophobicContact CD1-CG2 4.26Å; F92-V97 HydrophobicContact CE1-CG2 3.84Å; I93-V97 HydrophobicContact CB-CB 4.48Å; I93-V97 HydrophobicContact CG1-CG2 4.42Å; I93-V97 HydrophobicContact CG2-CB 4.23Å; I93-V97 WeakPolarHBondContact O-CA 3.11Å; I93-V97 WeakPolarHBondContact O-CB 3.47Å; I93-V97 PolarHBondContact O-N 3.04Å; V97-P105 HydrophobicContact CG1-CB 3.98Å; V97-P105 WeakPolarHBondContact CG1-O 3.49Å; V97-T107 WeakPolarHBondContact O-CG2 3.04Å; V97-T107 PolarHBondContact O-OG1 3.22Å
98L85.1Confident83.3Confident12 Ų1243 Ų436%0.06322%0.219CC..SBendtrans-71.1142.6178.4-59.5-176.8000111.2I93 R94 D103 P105I93-L98 HydrophobicContact CG2-CD1 4.2Å; I93-L98 HydrophobicContact CG2-CD2 4.03Å; I93-L98 HydrophobicContact CG2-CG 3.79Å; I93-L98 PolarHBondContact O-N 2.63Å; R94-L98 HydrophobicContact CG-CD1 4.34Å; L98-D103 WeakPolarHBondContact CD2-O 3.45Å; L98-P105 HydrophobicContact CD2-CB 4.03Å
99C83.4Confident83Confident1 Ų142.4 Ų42.41%0.00722%0.216CC..  trans-80.5131.6171.9-175.90000110E101 C102 D103 N104 T107 C122 C125C99-E101 PolarHBondContact O-N 3Å; C99-E101 VanDerWaalsContact O-N 3.12Å; C99-C102 VanDerWaalsContact CB-SG 3.59Å; C99-C102 PolarHBondContact O-N 2.82Å; C99-D103 WeakPolarHBondContact O-CA 3.34Å; C99-D103 PolarHBondContact O-N 3.4Å; C99-N104 PolarHBondContact N-O 3.49Å; C99-T107 HydrophobicContact CB-CG2 3.92Å; C99-C122 HydrophobicContact CB-CB 3.94Å; C99-C122 VanDerWaalsContact SG-CB 3.57Å; C99-C125 VanDerWaalsContact SG-SG 3.64Å
100P79.1Confident82.6Confident97 Ų9746.9 Ų46.963%0.6324%0.237SC*.THydrogen-bonded Turntrans-64.6-17.4-178.426.7-36.3000114.5Y127P100-Y127 HydrophobicContact CG-CD1 4.39Å; P100-Y127 HydrophobicContact CG-CE1 3.86Å
101E79.2Confident82.1Confident124 Ų12447.2 Ų47.258%0.57924%0.24SC*.THydrogen-bonded Turntrans-96.6-26.3179.8-72.7-172.8168.700114.3C99 Y127C99-E101 PolarHBondContact O-N 3Å; C99-E101 VanDerWaalsContact O-N 3.12Å; E101-Y127 HydrophobicContact CG-CD2 4.07Å; E101-Y127 HydrophobicContact CG-CE2 4.34Å; E101-Y127 HydrophobicContact CG-CG 4.37Å; E101-Y127 WeakPolarHBondContact OE1-CD2 3.07Å; E101-Y127 VanDerWaalsContact OE1-CE2 3.32Å; E101-Y127 WeakPolarHBondContact OE1-CE2 3.36Å; E101-Y127 WeakPolarHBondContact OE2-CB 3.27Å; E101-Y127 VanDerWaalsContact OE2-CD2 3.32Å; E101-Y127 WeakPolarHBondContact OE2-CD2 3.07Å
102C77.9Confident81.5Confident36 Ų3650.2 Ų50.224%0.24325%0.25CC..THydrogen-bonded Turntrans-138.94.2-168.870.70000115.1C99 N104 C122 C125C99-C102 VanDerWaalsContact CB-SG 3.59Å; C99-C102 PolarHBondContact O-N 2.82Å; C102-N104 PolarHBondContact O-N 3.08Å; C102-N104 PolarHBondContact O-ND2 3.19Å; C102-C122 PolarHBondContact SG-SG 2.89Å; C102-C125 HydrophobicContact CB-CB 4.15Å; C102-C125 PolarHBondContact SG-SG 2.69Å
103D78.9Confident80.5Confident95 Ų9554 Ų5451%0.50827%0.274SS..  trans4923.8177.1-68.6-43.5000115.3L98 C99L98-D103 WeakPolarHBondContact CD2-O 3.45Å; C99-D103 WeakPolarHBondContact O-CA 3.34Å; C99-D103 PolarHBondContact O-N 3.4Å
104N81.2Confident79.5Confident46 Ų4663.8 Ų63.825%0.24632%0.317CS..  trans-88.6134176.7-77.5-54.3000110.4C99 C102 E106 A124C99-N104 PolarHBondContact N-O 3.49Å; C102-N104 PolarHBondContact O-N 3.08Å; C102-N104 PolarHBondContact O-ND2 3.19Å; N104-E106 VanDerWaalsContact C-N 3.26Å; N104-E106 PolarHBondContact O-N 3.05Å; N104-A124 HydrophobicContact CB-CB 3.95Å; N104-A124 VanDerWaalsContact ND2-CB 3.26Å; N104-A124 WeakPolarHBondContact ND2-CB 3.48Å
105P80.2Confident78.6Confident7 Ų764.2 Ų64.25%0.04532%0.323CS..SBendtrans-78-7.3-179.430.7-34.9000113.8V5 Y16 V97 L98 T107V5-P105 HydrophobicContact CG1-CB 3.74Å; V5-P105 HydrophobicContact CG1-CG 4.22Å; Y16-P105 HydrophobicContact CD1-CG 4.02Å; Y16-P105 HydrophobicContact CD2-CG 3.55Å; Y16-P105 HydrophobicContact CE2-CG 4.12Å; Y16-P105 HydrophobicContact CG-CG 3.48Å; Y16-P105 VanDerWaalsContact CG-CG 3.48Å; V97-P105 HydrophobicContact CG1-CB 3.98Å; V97-P105 WeakPolarHBondContact CG1-O 3.49Å; L98-P105 HydrophobicContact CD2-CB 4.03Å; P105-T107 VanDerWaalsContact C-N 3.34Å; P105-T107 PolarHBondContact O-N 3.45Å
106E82.8Confident77.9Confident64 Ų6464 Ų6430%0.29932%0.324SS..  trans-81.278.1176.1-66.5-164.5165.700111.9Y16 N104 K123Y16-E106 HydrophobicContact CD1-CG 4.49Å; Y16-E106 HydrophobicContact CE1-CG 3.61Å; Y16-E106 VanDerWaalsContact CE1-OE1 3.27Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.3Å; Y16-E106 VanDerWaalsContact OH-CD 3.28Å; Y16-E106 PolarHBondContact OH-OE1 3.23Å; N104-E106 VanDerWaalsContact C-N 3.26Å; N104-E106 PolarHBondContact O-N 3.05Å; E106-K123 HydrophobicContact CB-CB 4.43Å; E106-K123 PolarHBondContact O-N 3.14Å; E106-K123 VanDerWaalsContact O-N 3.07Å
107T83.4Confident77.7Confident1 Ų166 Ų661%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-122.6141.3176.568.10000110.9R48 V97 C99 P105 N120 S121 C122R48-T107 VanDerWaalsContact CZ-O 3.22Å; R48-T107 PolarHBondContact NH1-O 3.1Å; R48-T107 PolarHBondContact NH2-O 2.96Å; R48-T107 PolarHBondContact NH2-OG1 3.28Å; V97-T107 WeakPolarHBondContact O-CG2 3.04Å; V97-T107 PolarHBondContact O-OG1 3.22Å; C99-T107 HydrophobicContact CB-CG2 3.92Å; P105-T107 VanDerWaalsContact C-N 3.34Å; P105-T107 PolarHBondContact O-N 3.45Å; T107-N120 WeakPolarHBondContact CB-OD1 3.49Å; T107-N120 PolarHBondContact OG1-OD1 3.4Å; T107-S121 CarbonylContact C-O 3.59Å; T107-S121 WeakPolarHBondContact CA-O 3.44Å; T107-C122 HydrophobicContact CG2-CB 4.18Å
108D82.3Confident77.6Confident53 Ų5366.2 Ų66.228%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-106.8124.8176.6-72.6-23.4000110.7H110 N120 S121 K123D108-H110 PolarHBondContact O-ND1 3.19Å; D108-H110 VanDerWaalsContact O-ND1 3.14Å; D108-N120 PolarHBondContact O-OD1 3.24Å; D108-S121 PolarHBondContact N-O 3.5Å; D108-S121 PolarHBondContact O-N 2.9Å; D108-K123 VanDerWaalsContact CG-CE 3.4Å; D108-K123 WeakPolarHBondContact OD1-CE 3.35Å; D108-K123 IonicContact OD1-NZ 3.8Å; D108-K123 PolarHBondContact OD1-NZ 3.32Å; D108-K123 WeakPolarHBondContact OD2-CE 3.42Å; D108-K123 IonicContact OD2-NZ 2.74Å; D108-K123 PolarHBondContact OD2-NZ 2.86Å
109L81.6Confident77.4Confident20 Ų2066.5 Ų66.511%0.10534%0.344CS..EExtended strand (participates in β ladder)trans-84.5119.4179.2-153.472.9000110.7Y52 I118 L131 I141Y52-L109 HydrophobicContact CE2-CD2 3.93Å; L109-I118 HydrophobicContact CD1-CG2 3.64Å; L109-I118 HydrophobicContact CD2-CG2 4.06Å; L109-I118 HydrophobicContact CG-CG2 3.78Å; L109-L131 HydrophobicContact CD1-CD1 3.24Å; L109-I141 HydrophobicContact CD2-CD1 4.36Å; L109-I141 HydrophobicContact CD2-CG2 3.78Å
110H78.9Confident77.5Confident98 Ų9866.6 Ų66.645%0.45434%0.344SS..EExtended strand (participates in β ladder)trans-111.8111.9176.9-67.278000109.5D108 G119D108-H110 PolarHBondContact O-ND1 3.19Å; D108-H110 VanDerWaalsContact O-ND1 3.14Å; H110-G119 PolarHBondContact N-O 2.79Å; H110-G119 PolarHBondContact O-N 2.94Å
111V76.5Confident77.8Confident22 Ų2263.1 Ų63.113%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-93.2122.3178.6-1760000108.9P113 I141 L142 P145 P146V111-P113 WeakPolarHBondContact O-CD 3.41Å; V111-I141 HydrophobicContact CG2-CG2 3.65Å; V111-L142 HydrophobicContact CG1-CD2 4.18Å; V111-P145 HydrophobicContact CB-CB 4.42Å; V111-P146 HydrophobicContact CG2-CG 4.34Å
112N73.1Confident78.1Confident86 Ų8657.5 Ų57.546%0.4630%0.297SS..EExtended strand (participates in β ladder)trans-101.393.5173.8-78.4-59.3000109.6K114 K115 Q116 T117N112-K114 PolarHBondContact O-N 3.44Å; N112-K114 VanDerWaalsContact O-N 3.12Å; N112-K115 HydrophobicContact CB-CB 4.39Å; N112-K115 PolarHBondContact O-N 2.94Å; N112-K115 VanDerWaalsContact O-N 3.09Å; N112-Q116 PolarHBondContact O-N 3.29Å; N112-Q116 VanDerWaalsContact O-N 3.12Å; N112-T117 PolarHBondContact N-O 2.93Å; N112-T117 VanDerWaalsContact N-O 3.12Å
113P67.1Low78.4Confident81 Ų8161.5 Ų61.553%0.52631%0.31SS..THydrogen-bonded Turntrans-61.4-27.8-175.323.4-33.7000112.7V111 Q116V111-P113 WeakPolarHBondContact O-CD 3.41Å; P113-Q116 PolarHBondContact O-NE2 3.37Å
114K67.8Low78.5Confident208 Ų20859.8 Ų59.890%0.90431%0.309SS*.THydrogen-bonded Turntrans-70.8-31.3178.1-67.9-174.5-179.8178.90114.1N112N112-K114 PolarHBondContact O-N 3.44Å; N112-K114 VanDerWaalsContact O-N 3.12Å
115K64.6Low78.5Confident166 Ų16660.2 Ų60.272%0.72232%0.315SS*.THydrogen-bonded Turntrans-101.6-3-178.9-69.3-171.4178.3-176.50112.7N112 T117N112-K115 HydrophobicContact CB-CB 4.39Å; N112-K115 PolarHBondContact O-N 2.94Å; N112-K115 VanDerWaalsContact O-N 3.09Å; K115-T117 WeakPolarHBondContact CB-OG1 3.3Å; K115-T117 WeakPolarHBondContact O-CG2 3.37Å; K115-T117 PolarHBondContact O-N 3.23Å; K115-T117 VanDerWaalsContact O-N 3.11Å
116Q68.8Low78.4Confident116 Ų11662.5 Ų62.554%0.54234%0.339SS..THydrogen-bonded Turntrans51.329.4-173.3-66-68.8-64.900112.8N112 P113 L142N112-Q116 PolarHBondContact O-N 3.29Å; N112-Q116 VanDerWaalsContact O-N 3.12Å; P113-Q116 PolarHBondContact O-NE2 3.37Å; Q116-L142 HydrophobicContact CB-CD2 4.43Å
117T75.5Confident78.3Confident53 Ų5363 Ų6333%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-116.4144.7179.851.90000110.9N112 K115N112-T117 PolarHBondContact N-O 2.93Å; N112-T117 VanDerWaalsContact N-O 3.12Å; K115-T117 WeakPolarHBondContact CB-OG1 3.3Å; K115-T117 WeakPolarHBondContact O-CG2 3.37Å; K115-T117 PolarHBondContact O-N 3.23Å; K115-T117 VanDerWaalsContact O-N 3.11Å
118I81.4Confident78.1Confident5 Ų573.1 Ų73.13%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-104.9116.8175.2-55.7168.7000106.8L109 L131 C138 I141 L142L109-I118 HydrophobicContact CD1-CG2 3.64Å; L109-I118 HydrophobicContact CD2-CG2 4.06Å; L109-I118 HydrophobicContact CG-CG2 3.78Å; I118-L131 HydrophobicContact CG2-CD1 4Å; I118-L131 PolarHBondContact O-N 2.93Å; I118-C138 HydrophobicContact CD1-CB 3.64Å; I118-I141 HydrophobicContact CD1-CB 3.85Å; I118-I141 HydrophobicContact CD1-CD1 4.33Å; I118-I141 HydrophobicContact CD1-CG2 3.77Å; I118-I141 HydrophobicContact CG1-CG2 4.19Å; I118-I141 HydrophobicContact CG2-CG2 4.44Å; I118-L142 HydrophobicContact CD1-CG 4.39Å; I118-L142 HydrophobicContact CG1-CD2 4.38Å; I118-L142 HydrophobicContact CG1-CG 4.27Å
119G82Confident77.8Confident17 Ų1771.2 Ų71.218%0.17537%0.37CS..EExtended strand (participates in β ladder)trans-96144.9172.200000110.6H110 G129H110-G119 PolarHBondContact N-O 2.79Å; H110-G119 PolarHBondContact O-N 2.94Å; G119-G129 CarbonylContact C-O 3.6Å; G119-G129 WeakPolarHBondContact CA-O 3.36Å
120N85.4Confident77.6Confident4 Ų477.9 Ų77.92%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-114.2136.5167.5-167.422000109.7T107 D108 R128 G129 L131T107-N120 WeakPolarHBondContact CB-OD1 3.49Å; T107-N120 PolarHBondContact OG1-OD1 3.4Å; D108-N120 PolarHBondContact O-OD1 3.24Å; N120-R128 WeakPolarHBondContact O-CA 3.38Å; N120-G129 PolarHBondContact N-O 3.41Å; N120-G129 PolarHBondContact O-N 2.8Å; N120-G129 VanDerWaalsContact O-N 3.08Å; N120-L131 HydrophobicContact CB-CD1 4.02Å; N120-L131 HydrophobicContact CB-CD2 4.16Å; N120-L131 HydrophobicContact CB-CG 3.82Å
121S84.4Confident77.3Confident24 Ų2474.2 Ų74.217%0.16839%0.386CS..EExtended strand (participates in β ladder)trans-122.6116.9177.5-62.10000109.7T107 D108 Y127T107-S121 CarbonylContact C-O 3.59Å; T107-S121 WeakPolarHBondContact CA-O 3.44Å; D108-S121 PolarHBondContact N-O 3.5Å; D108-S121 PolarHBondContact O-N 2.9Å; S121-Y127 CarbonylContact C-O 3.36Å; S121-Y127 WeakPolarHBondContact CA-O 3.36Å
122C86.9Confident76.8Confident6 Ų677.8 Ų77.84%0.04140%0.404CS..EExtended strand (participates in β ladder)trans-84.8134.7177.1-174.80000111.2C99 C102 T107 A124 C125 G126 Y127C99-C122 HydrophobicContact CB-CB 3.94Å; C99-C122 VanDerWaalsContact SG-CB 3.57Å; C102-C122 PolarHBondContact SG-SG 2.89Å; T107-C122 HydrophobicContact CG2-CB 4.18Å; C122-A124 PolarHBondContact SG-N 3.06Å; C122-A124 VanDerWaalsContact SG-N 3.4Å; C122-C125 VanDerWaalsContact CB-SG 3.6Å; C122-G126 VanDerWaalsContact O-CA 3.22Å; C122-G126 WeakPolarHBondContact O-CA 3.41Å; C122-G126 PolarHBondContact O-N 2.87Å; C122-G126 VanDerWaalsContact O-N 3.09Å; C122-Y127 PolarHBondContact N-O 3.48Å
123K83.1Confident76.4Confident120 Ų12078.1 Ų78.152%0.52241%0.41SS..THydrogen-bonded Turntrans-77.1-28.7175.2-70.7179.6-176.7155.20113.2E106 D108E106-K123 HydrophobicContact CB-CB 4.43Å; E106-K123 PolarHBondContact O-N 3.14Å; E106-K123 VanDerWaalsContact O-N 3.07Å; D108-K123 VanDerWaalsContact CG-CE 3.4Å; D108-K123 WeakPolarHBondContact OD1-CE 3.35Å; D108-K123 IonicContact OD1-NZ 3.8Å; D108-K123 PolarHBondContact OD1-NZ 3.32Å; D108-K123 WeakPolarHBondContact OD2-CE 3.42Å; D108-K123 IonicContact OD2-NZ 2.74Å; D108-K123 PolarHBondContact OD2-NZ 2.86Å
124A81.9Confident76.4Confident59 Ų5984.8 Ų84.849%0.48842%0.424SS..THydrogen-bonded Turntrans-77.6-48.8-176.200000112.8N104 C122N104-A124 HydrophobicContact CB-CB 3.95Å; N104-A124 VanDerWaalsContact ND2-CB 3.26Å; N104-A124 WeakPolarHBondContact ND2-CB 3.48Å; C122-A124 PolarHBondContact SG-N 3.06Å; C122-A124 VanDerWaalsContact SG-N 3.4Å
125C79.9Confident76.6Confident55 Ų5576.8 Ų76.837%0.37239%0.39SS..THydrogen-bonded Turntrans-103.6-8.8-179.165.70000114.4C99 C102 C122 Y127C99-C125 VanDerWaalsContact SG-SG 3.64Å; C102-C125 HydrophobicContact CB-CB 4.15Å; C102-C125 PolarHBondContact SG-SG 2.69Å; C122-C125 VanDerWaalsContact CB-SG 3.6Å; C125-Y127 PolarHBondContact O-N 3.33Å; C125-Y127 WeakPolarHBondContact SG-CB 3.4Å
126G79.4Confident76.9Confident54 Ų5476.8 Ų76.856%0.55739%0.39SS*.  trans73.24.4-176.400000114.6C122 R128C122-G126 VanDerWaalsContact O-CA 3.22Å; C122-G126 WeakPolarHBondContact O-CA 3.41Å; C122-G126 PolarHBondContact O-N 2.87Å; C122-G126 VanDerWaalsContact O-N 3.09Å; G126-R128 PolarHBondContact O-N 3.21Å
127Y79.3Confident77.3Confident76 Ų7671.2 Ų71.230%0.29836%0.364SS..  trans-57.5131.1178.5179.7-105.5000111.3P100 E101 S121 C122 C125P100-Y127 HydrophobicContact CG-CD1 4.39Å; P100-Y127 HydrophobicContact CG-CE1 3.86Å; E101-Y127 HydrophobicContact CG-CD2 4.07Å; E101-Y127 HydrophobicContact CG-CE2 4.34Å; E101-Y127 HydrophobicContact CG-CG 4.37Å; E101-Y127 WeakPolarHBondContact OE1-CD2 3.07Å; E101-Y127 VanDerWaalsContact OE1-CE2 3.32Å; E101-Y127 WeakPolarHBondContact OE1-CE2 3.36Å; E101-Y127 WeakPolarHBondContact OE2-CB 3.27Å; E101-Y127 VanDerWaalsContact OE2-CD2 3.32Å; E101-Y127 WeakPolarHBondContact OE2-CD2 3.07Å; S121-Y127 CarbonylContact C-O 3.36Å; S121-Y127 WeakPolarHBondContact CA-O 3.36Å; C122-Y127 PolarHBondContact N-O 3.48Å; C125-Y127 PolarHBondContact O-N 3.33Å; C125-Y127 WeakPolarHBondContact SG-CB 3.4Å
128R80.2Confident77.1Confident213 Ų21368.9 Ų68.980%0.80435%0.35SS*.EExtended strand (participates in β ladder)trans-118.4100.4171.5-71.4-172176.6141.50.7108.6N120 G126N120-R128 WeakPolarHBondContact O-CA 3.38Å; G126-R128 PolarHBondContact O-N 3.21Å
129G75.1Confident76.6Confident12 Ų1272.4 Ų72.412%0.12437%0.372CS..EExtended strand (participates in β ladder)trans-116.7161.717900000112.1G119 N120G119-G129 CarbonylContact C-O 3.6Å; G119-G129 WeakPolarHBondContact CA-O 3.36Å; N120-G129 PolarHBondContact N-O 3.41Å; N120-G129 PolarHBondContact O-N 2.8Å; N120-G129 VanDerWaalsContact O-N 3.08Å
130M77.9Confident76.3Confident161 Ų16173.6 Ų73.679%0.79337%0.372SS*.EExtended strand (participates in β ladder)trans-83.8136.416445.4176.568.300108.9
131L72.4Confident76Confident21 Ų2173.5 Ų73.511%0.1137%0.372CS..PPolyproline II helixtrans-79.3152.8170.9-77.2170.6000110.7F96 L109 I118 N120 T133F96-L131 HydrophobicContact CD1-CD1 4.45Å; L109-L131 HydrophobicContact CD1-CD1 3.24Å; I118-L131 HydrophobicContact CG2-CD1 4Å; I118-L131 PolarHBondContact O-N 2.93Å; N120-L131 HydrophobicContact CB-CD1 4.02Å; N120-L131 HydrophobicContact CB-CD2 4.16Å; N120-L131 HydrophobicContact CB-CG 3.82Å; L131-T133 PolarHBondContact O-N 2.87Å
132D66.3Low75.4Confident96 Ų9673.9 Ų73.951%0.51337%0.372SS..PPolyproline II helixtrans-59.9117.8178.4-171.3-0.6000110.9R134 C138D132-R134 PolarHBondContact O-N 3.26Å; D132-R134 VanDerWaalsContact OD1-CB 3.31Å; D132-R134 WeakPolarHBondContact OD1-CB 3.41Å; D132-R134 WeakPolarHBondContact OD1-CD 3.44Å; D132-R134 WeakPolarHBondContact OD1-CG 3.28Å; D132-R134 PolarHBondContact OD1-N 3.45Å; D132-C138 PolarHBondContact O-SG 3.31Å
133T64.4Low74.5Confident94 Ų9481.1 Ų81.158%0.57740%0.402SS*.THydrogen-bonded Turntrans-79.1-3.9-178.5430000113.3L131 H135L131-T133 PolarHBondContact O-N 2.87Å; T133-H135 VanDerWaalsContact C-N 3.28Å; T133-H135 PolarHBondContact O-N 3.26Å
134R67.4Low73.6Confident221 Ų22179.1 Ų79.183%0.83440%0.398SS*.THydrogen-bonded Turntrans-69.5-20.2-176.5-69.7170.9-179.5-179.70.1114.3D132D132-R134 PolarHBondContact O-N 3.26Å; D132-R134 VanDerWaalsContact OD1-CB 3.31Å; D132-R134 WeakPolarHBondContact OD1-CB 3.41Å; D132-R134 WeakPolarHBondContact OD1-CD 3.44Å; D132-R134 WeakPolarHBondContact OD1-CG 3.28Å; D132-R134 PolarHBondContact OD1-N 3.45Å
135H72.1Confident72.8Confident40 Ų4080 Ų8019%0.18540%0.398CS..SBendtrans-85.8137-175.8-154.7-96.9000113.1F56 E60 F96 T133 L137 C138F56-H135 AromaticContact CD2-CE1 3.49Å; F56-H135 VanDerWaalsContact CD2-CE1 3.49Å; F56-H135 WeakPolarHBondContact CD2-CE1 3.41Å; F56-H135 AromaticContact CE2-CE1 3.36Å; F56-H135 WeakPolarHBondContact CE2-CE1 3.5Å; F56-H135 AromaticContact CE2-NE2 3.64Å; E60-H135 IonicContact OE1-NE2 2.64Å; E60-H135 PolarHBondContact OE1-NE2 2.9Å; F96-H135 HydrophobicContact CZ-CB 3.83Å; F96-H135 AromaticContact CZ-CG 3.94Å; F96-H135 AromaticContact CZ-ND1 3.95Å; T133-H135 VanDerWaalsContact C-N 3.28Å; T133-H135 PolarHBondContact O-N 3.26Å; H135-L137 VanDerWaalsContact ND1-CB 3.34Å; H135-L137 WeakPolarHBondContact ND1-CB 3.27Å; H135-L137 PolarHBondContact ND1-N 3.44Å; H135-L137 PolarHBondContact O-N 2.95Å; H135-C138 VanDerWaalsContact O-CB 3.32Å; H135-C138 WeakPolarHBondContact O-CB 3.4Å; H135-C138 PolarHBondContact O-N 3.4Å
136K70.9Confident71.6Confident165 Ų16579.5 Ų79.572%0.71739%0.394SS*.Hα-helixtrans-57.4-20.6178.2-67.6176.7-176.7169.80113.6
137L76.3Confident70.2Confident0 Ų086 Ų860%041%0.41CS..Hα-helixtrans-67.5-32.6174.3-172.666.9000112.7K55 F56 F92 F96 H135 T139 F140 I141K55-L137 HydrophobicContact CB-CD1 3.73Å; K55-L137 HydrophobicContact CG-CD1 3.82Å; F56-L137 HydrophobicContact CB-CD2 4.08Å; F56-L137 HydrophobicContact CD2-CD2 4.08Å; F92-L137 HydrophobicContact CD2-CD2 4.01Å; F92-L137 HydrophobicContact CE2-CD2 3.55Å; F96-L137 HydrophobicContact CD2-CD2 4.3Å; F96-L137 HydrophobicContact CE1-CD2 4.27Å; F96-L137 HydrophobicContact CE2-CD2 4.01Å; F96-L137 HydrophobicContact CZ-CB 4.26Å; F96-L137 HydrophobicContact CZ-CD2 3.99Å; H135-L137 VanDerWaalsContact ND1-CB 3.34Å; H135-L137 WeakPolarHBondContact ND1-CB 3.27Å; H135-L137 PolarHBondContact ND1-N 3.44Å; H135-L137 PolarHBondContact O-N 2.95Å; L137-T139 VanDerWaalsContact C-N 3.27Å; L137-T139 PolarHBondContact O-N 3.21Å; L137-F140 HydrophobicContact CD1-CB 4.49Å; L137-F140 HydrophobicContact CD1-CD1 4.46Å; L137-F140 WeakPolarHBondContact O-CA 3.41Å; L137-F140 WeakPolarHBondContact O-CB 3.4Å; L137-F140 PolarHBondContact O-N 3.25Å; L137-I141 HydrophobicContact CD2-CD1 4.19Å; L137-I141 HydrophobicContact CG-CD1 3.92Å; L137-I141 HydrophobicContact CG-CG1 4.26Å; L137-I141 WeakPolarHBondContact O-CG1 3.48Å; L137-I141 PolarHBondContact O-N 3.15Å
138C71.5Confident68.3Low4 Ų487.2 Ų87.23%0.02743%0.43CS..Hα-helixtrans-61.5-37.1-179.3-64.50000111.5I118 D132 H135 F140 I141 L142I118-C138 HydrophobicContact CD1-CB 3.64Å; D132-C138 PolarHBondContact O-SG 3.31Å; H135-C138 VanDerWaalsContact O-CB 3.32Å; H135-C138 WeakPolarHBondContact O-CB 3.4Å; H135-C138 PolarHBondContact O-N 3.4Å; C138-F140 VanDerWaalsContact C-N 3.26Å; C138-F140 PolarHBondContact O-N 2.91Å; C138-I141 PolarHBondContact O-N 3.03Å; C138-L142 WeakPolarHBondContact O-CB 3.08Å; C138-L142 WeakPolarHBondContact O-CG 3.39Å; C138-L142 PolarHBondContact O-N 2.99Å
139T72.6Confident66.2Low79 Ų7985.3 Ų85.349%0.48544%0.436SS..Hα-helixtrans-63.1-32.5172.9-460000112.6L137 K143L137-T139 VanDerWaalsContact C-N 3.27Å; L137-T139 PolarHBondContact O-N 3.21Å; T139-K143 WeakPolarHBondContact O-CG 3.4Å; T139-K143 PolarHBondContact O-N 2.84Å
140F75.7Confident64.2Low41 Ų4190.9 Ų90.918%0.1846%0.463CS..Hα-helixtrans-76.2-39.6177.4-175.2-99.8000112Y52 K55 L137 C138 L142 K143 N144Y52-F140 HydrophobicContact CD1-CD1 4.33Å; Y52-F140 HydrophobicContact CD1-CE1 4.31Å; K55-F140 HydrophobicContact CB-CD1 4.04Å; K55-F140 HydrophobicContact CB-CE1 4.09Å; K55-F140 HydrophobicContact CB-CG 4.48Å; K55-F140 HydrophobicContact CD-CD2 4.17Å; K55-F140 HydrophobicContact CD-CE2 4.28Å; K55-F140 HydrophobicContact CD-CG 4.35Å; K55-F140 HydrophobicContact CG-CB 4.17Å; K55-F140 HydrophobicContact CG-CD1 3.82Å; K55-F140 HydrophobicContact CG-CD2 4.08Å; K55-F140 HydrophobicContact CG-CE1 4.18Å; K55-F140 HydrophobicContact CG-CE2 4.43Å; K55-F140 HydrophobicContact CG-CG 3.75Å; K55-F140 HydrophobicContact CG-CZ 4.47Å; L137-F140 HydrophobicContact CD1-CB 4.49Å; L137-F140 HydrophobicContact CD1-CD1 4.46Å; L137-F140 WeakPolarHBondContact O-CA 3.41Å; L137-F140 WeakPolarHBondContact O-CB 3.4Å; L137-F140 PolarHBondContact O-N 3.25Å; C138-F140 VanDerWaalsContact C-N 3.26Å; C138-F140 PolarHBondContact O-N 2.91Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-L142 PolarHBondContact O-N 3.49Å; F140-K143 PolarHBondContact O-N 2.85Å; F140-K143 VanDerWaalsContact O-N 3.13Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.37Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.48Å; F140-N144 PolarHBondContact O-N 3.21Å
141I77.5Confident61.9Low2 Ų288.9 Ų88.91%0.0147%0.465CS..Hα-helixtrans-63.5-37.6175.1-64.9166.9000110.9Y52 L109 V111 I118 L137 C138 K143 N144Y52-I141 HydrophobicContact CD1-CG1 4.18Å; Y52-I141 HydrophobicContact CD2-CD1 4.42Å; Y52-I141 HydrophobicContact CD2-CG1 4.18Å; Y52-I141 HydrophobicContact CE1-CG1 4.01Å; Y52-I141 HydrophobicContact CE2-CD1 4.49Å; Y52-I141 HydrophobicContact CE2-CG1 4.02Å; Y52-I141 HydrophobicContact CE2-CG2 4.34Å; Y52-I141 HydrophobicContact CG-CG1 4.27Å; L109-I141 HydrophobicContact CD2-CD1 4.36Å; L109-I141 HydrophobicContact CD2-CG2 3.78Å; V111-I141 HydrophobicContact CG2-CG2 3.65Å; I118-I141 HydrophobicContact CD1-CB 3.85Å; I118-I141 HydrophobicContact CD1-CD1 4.33Å; I118-I141 HydrophobicContact CD1-CG2 3.77Å; I118-I141 HydrophobicContact CG1-CG2 4.19Å; I118-I141 HydrophobicContact CG2-CG2 4.44Å; L137-I141 HydrophobicContact CD2-CD1 4.19Å; L137-I141 HydrophobicContact CG-CD1 3.92Å; L137-I141 HydrophobicContact CG-CG1 4.26Å; L137-I141 WeakPolarHBondContact O-CG1 3.48Å; L137-I141 PolarHBondContact O-N 3.15Å; C138-I141 PolarHBondContact O-N 3.03Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 PolarHBondContact O-N 3.34Å; I141-N144 CarbonylContact O-C 3.26Å; I141-N144 VanDerWaalsContact O-C 3.26Å; I141-N144 PolarHBondContact O-N 3.44Å; I141-N144 VanDerWaalsContact O-O 3.12Å
142L71.6Confident59.9Low33 Ų3392.6 Ų92.617%0.17349%0.492CS..Hα-helixtrans-64.4-30.6174-77.4163.6000113.2V111 Q116 I118 C138 F140V111-L142 HydrophobicContact CG1-CD2 4.18Å; Q116-L142 HydrophobicContact CB-CD2 4.43Å; I118-L142 HydrophobicContact CD1-CG 4.39Å; I118-L142 HydrophobicContact CG1-CD2 4.38Å; I118-L142 HydrophobicContact CG1-CG 4.27Å; C138-L142 WeakPolarHBondContact O-CB 3.08Å; C138-L142 WeakPolarHBondContact O-CG 3.39Å; C138-L142 PolarHBondContact O-N 2.99Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-L142 PolarHBondContact O-N 3.49Å
143K68.3Low58Low157 Ų15793.7 Ų93.768%0.68351%0.507SS*.Hα-helixtrans-86-23.3179.9-73.3178.1-179.9-177.30113.3T139 F140 I141T139-K143 WeakPolarHBondContact O-CG 3.4Å; T139-K143 PolarHBondContact O-N 2.84Å; F140-K143 PolarHBondContact O-N 2.85Å; F140-K143 VanDerWaalsContact O-N 3.13Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 PolarHBondContact O-N 3.34Å
144N65.5Low56.2Low79 Ų7993.6 Ų93.642%0.42252%0.516SS..SBendtrans-128.181.3176.4-65.2-74000108.4Y52 F140 I141Y52-N144 PolarHBondContact OH-O 2.89Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.37Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.48Å; F140-N144 PolarHBondContact O-N 3.21Å; I141-N144 CarbonylContact O-C 3.26Å; I141-N144 VanDerWaalsContact O-C 3.26Å; I141-N144 PolarHBondContact O-N 3.44Å; I141-N144 VanDerWaalsContact O-O 3.12Å
145P63.5Low54.2Low76 Ų7688.7 Ų88.749%0.49452%0.516SS..  trans-58141.317424.4-32.1000109.6V111 E147V111-P145 HydrophobicContact CB-CB 4.42Å; P145-E147 PolarHBondContact O-N 2.92Å
146P54.8Low52Low45 Ų4593.7 Ų93.729%0.29255%0.549SS..  trans-59.6131.8174.726.7-31.2000107.9Y52 V111 S148Y52-P146 WeakPolarHBondContact OH-CD 2.84Å; V111-P146 HydrophobicContact CG2-CG 4.34Å; P146-S148 PolarHBondContact O-N 3.39Å
147E50.1Low50Low190 Ų19095.9 Ų95.989%0.88856%0.558SS**  trans-53.3108.8-177.7-70.1-173.7151.300109.7P145 N149P145-E147 PolarHBondContact O-N 2.92Å; E147-N149 PolarHBondContact O-N 3.33Å
148S40.1Very low47.5Very low103 Ų103105 Ų10572%0.7260%0.598SS**  trans-67.9110.716752.80000107.2P146 D150P146-S148 PolarHBondContact O-N 3.39Å; S148-D150 PolarHBondContact O-N 3.49Å
149N37.1Very low45.3Very low172 Ų172114.1 Ų114.192%0.9264%0.64SS**  trans-66.375.4164.5-102.6-17000109.4E147E147-N149 PolarHBondContact O-N 3.33Å
150D32.9Very low43.1Very low129 Ų129118.6 Ų118.669%0.6965%0.653SS**  trans-145.894.7168.6-152.54.4000110.4S148S148-D150 PolarHBondContact O-N 3.49Å
151S29.1Very low40.6Very low120 Ų120123.6 Ų123.684%0.83968%0.677SS**  trans-157.864.2156.854.10000111.7
152S29.3Very low38.2Very low99 Ų99132.4 Ų132.469%0.69272%0.715SS**  trans-78.1119.9139.649.20000109
153S26.4Very low35.9Very low118 Ų118140.2 Ų140.283%0.82575%0.748SS**SBendtrans96.6103.4163.776.60000120.2
154A26.9Very low33.8Very low93 Ų93140.8 Ų140.877%0.76976%0.758SS**  trans57.6117.8144.700000118.8
155S25.1Very low31.9Very low117 Ų117148.4 Ų148.482%0.81878%0.781SS**  -170.4110.774.5-61.40000111.3K157S155-K157 PolarHBondContact O-N 3.01Å
156V27.4Very low30Very low146 Ų146154.3 Ų154.389%0.88580%0.799SS**  trans-72.3112170.8174.50000108.9K158V156-K158 PolarHBondContact O-N 2.93Å
157K27.9Very low28.6Very low210 Ų210160.3 Ų160.391%0.91382%0.821SS**  trans-77.7110.1162.2-98.5-177.5178.4177.20109.1S155S155-K157 PolarHBondContact O-N 3.01Å
158K24.3Very low27.3Very low193 Ų193158.8 Ų158.884%0.83982%0.818SS**  trans-46.6129.5166.9-118.2170.3177.7169.70112.3V156V156-K158 PolarHBondContact O-N 2.93Å
159E25.8Very low26.6Very low194 Ų194162.2 Ų162.291%0.90782%0.82SS**  trans-128.1122.3139.7-140.3177156.700108.5
160K25.1Very low25.9Very low173 Ų173163.2 Ų163.275%0.75282%0.82SS**  trans-59.9155.5171.4-81171.2159.4-178.70108.6
161E24Very low25.4Very low147 Ų147164.3 Ų164.369%0.68783%0.825SS**  cis179.6139.440.4-142.9175.1107.200104.1
162K26.3Very low25.1Very low187 Ų187161.7 Ų161.781%0.81382%0.817SS**  -170143.974.3-99.6176.8-176.3172.60111.1
163K23.8Very low24.7Very low196 Ų196162.6 Ų162.685%0.85282%0.824SS**  trans-72.7129.9-178.4-173.5-174.8-172-176.40111.1
164N24.6Very low24.5Very low169 Ų169160.6 Ų160.690%0.90482%0.821SS**  trans-151.8106.7135.4-126.6-0.1000110.7
165R24.3Very low24.3Very low239 Ų239162.8 Ų162.890%0.90283%0.831SS**  trans-107.9113.6178-138.9-179.6-179.1-177.90.3105.3
166K25.1Very low24.2Very low200 Ų200161.3 Ų161.387%0.8783%0.834SS**  trans-108.4123.1161.1-147.6176.8-177.7-174.40107.4
167K24Very low24Very low172 Ų172162.9 Ų162.975%0.74883%0.832SS**  trans-105.6124.9-175.7177.3-168-173.9-171.10104.4
168D23.5Very low23.8Very low157 Ų157159.3 Ų159.384%0.8483%0.828SS**  trans-132.5128.3153-81.4-51.6000107.6
169K25.1Very low23.8Very low175 Ų175154.2 Ų154.276%0.76183%0.83SS**  trans-137.6117.7-174.4-174.5-164.5-167.5-167.10103.4
170E23Very low23.8Very low194 Ų194151.7 Ų151.791%0.90782%0.823SS**  trans179.6161.3150.7-108172.7175.400109.4
171N22.3Very low24Very low152 Ų152151.8 Ų151.881%0.81383%0.826SS**  -171.3159.2-57.4-153.621.9000104.4
172G22Very low24.3Very low65 Ų65150.8 Ų150.867%0.6783%0.825SS**  trans13794.8167.400000112
173S22.7Very low24.4Very low118 Ų118149 Ų14983%0.82583%0.825SS**  cis77.211835.282.20000116.3
174G22.1Very low24.6Very low75 Ų75147.1 Ų147.177%0.77382%0.822SS**  trans157.887.3163.600000109.6
175S22.2Very low24.9Very low139 Ų139146.5 Ų146.597%0.97282%0.819SS**  59.4121.572.3-840000116
176G21.8Very low25.5Very low86 Ų86139.3 Ų139.389%0.88781%0.811SS**  trans178.2104.3164.300000110.7
177E23.1Very low26.1Very low179 Ų179136 Ų13684%0.83681%0.81SS**  trans-114.6162.1-170.6-158.9-176.4135.500110.4
178T24.1Very low26.4Very low136 Ų136137 Ų13783%0.83482%0.817SS**  trans95.4128.815768.70000121.1
179G23.9Very low27.3Very low86 Ų86134.1 Ų134.189%0.88782%0.815SS**  trans160105.6160.500000113.4
180N26.4Very low27.7Very low141 Ų141132.8 Ų132.875%0.75482%0.821SS**  trans-106.2151-167.5-170.933.9000112.7
181Q30.4Very low28.5Very low174 Ų174131 Ų13181%0.81382%0.818SS**  trans150.9147.7130.8-85.1-174.6-4.800117.5
182D29.9Very low28.8Very low126 Ų126134.8 Ų134.867%0.67482%0.821SS**  trans-73.2160.8-165.7-50.5-83.5000118.7
183N27.1Very low29.3Very low150 Ų150138.4 Ų138.480%0.80283%0.825SS**  168.7161.2117.9-93.8-59.4000115
184I29.4Very low30.2Very low156 Ų156139.4 Ų139.480%0.882%0.821SS**  trans10792159.1-55.9165.4000113.7
185D29.6Very low30.8Very low156 Ų156143.2 Ų143.283%0.83482%0.823SS**  96.3130.369.4-112-56.3000114
186A37.5Very low31.9Very low88 Ų88144.5 Ų144.573%0.72782%0.82SS**  trans-101.3159.8-176.500000111.6
187P38Very low32.7Very low130 Ų130148.6 Ų148.684%0.84482%0.815SS**  trans-131156.6151.432-15.5000115.5
188E31.1Very low33.5Very low195 Ų195146.6 Ų146.691%0.91181%0.811SS**  trans-71.9169.9-167.4-79.2166.6121.800118.1
189A42.1Very low34.5Very low95 Ų95151.1 Ų151.179%0.78581%0.812SS**  trans-69.6146.8169.100000114.4
190V33.9Very low35.2Very low147 Ų147150.3 Ų150.389%0.89180%0.798SS**  trans-147.6134.8154.5-75.90000110.7
191D38.1Very low36Very low158 Ų158150.8 Ų150.885%0.84580%0.795SS**  trans-63.1154177.5-71-61.1000114.9
192R30.1Very low36.3Very low230 Ų230151.4 Ų151.487%0.86880%0.798SS**  trans-179.3120.3131.1-99.6170-173.4-169.91.3114.7
193D31.4Very low37.1Very low141 Ų141149.1 Ų149.175%0.75479%0.789SS**  trans55.2121.5136.3-55.2-32.9000123.1
194D42.4Very low38.9Very low140 Ų140147 Ų14775%0.74978%0.782SS**  trans24.1121.8140.9-73.2-26.8000120.4
195D33.4Very low40.3Very low154 Ų154146.6 Ų146.682%0.82478%0.776SS**  -163.1105.8120.4-96.1-30.5000110E197D195-E197 PolarHBondContact O-N 3.25Å; D195-E197 VanDerWaalsContact O-N 3.17Å
196D46.8Very low41.8Very low167 Ų167144.8 Ų144.889%0.89376%0.763SS**  trans-68.194.3165.3-83.3-42.8000109D198D196-D198 PolarHBondContact O-N 3.32Å
197E38Very low42.7Very low171 Ų171143.3 Ų143.380%0.79975%0.751SS**  trans-96.295.2176.9-147.4151.5-151.800111.5D195 W199D195-E197 PolarHBondContact O-N 3.25Å; D195-E197 VanDerWaalsContact O-N 3.17Å; E197-W199 PolarHBondContact O-N 2.89Å
198D39.9Very low43.7Very low137 Ų137142 Ų14273%0.73373%0.733SS**  trans-22.6108165.5-157.82.1000116.5D196 A200D196-D198 PolarHBondContact O-N 3.32Å; D198-A200 WeakPolarHBondContact OD1-CB 3.31Å; D198-A200 PolarHBondContact OD1-N 3.27Å
199W45.1Very low45.2Very low231 Ų231140.4 Ų140.488%0.87572%0.719SS**  trans-101.438.2166.1-85.887.4000112E197 E201E197-W199 PolarHBondContact O-N 2.89Å; W199-E201 PolarHBondContact O-N 3.37Å; W199-E201 VanDerWaalsContact O-N 3.14Å
200A37.8Very low46.3Very low70 Ų70142.9 Ų142.958%0.57971%0.708SS**  trans-78.183.9165.700000110.5D198 E202D198-A200 WeakPolarHBondContact OD1-CB 3.31Å; D198-A200 PolarHBondContact OD1-N 3.27Å; A200-E202 PolarHBondContact O-N 3.49Å
201E43.5Very low47.8Very low151 Ų151144.6 Ų144.671%0.70670%0.698SS**  trans-70.398.2160.2-82.2-173.817100109.1W199 T203W199-E201 PolarHBondContact O-N 3.37Å; W199-E201 VanDerWaalsContact O-N 3.14Å; E201-T203 VanDerWaalsContact C-N 3.27Å; E201-T203 PolarHBondContact O-N 3.5Å
202E37.4Very low48.6Very low187 Ų187143.4 Ų143.487%0.87469%0.69SS**  trans-57.486.6165.9-69.6-166154.400110.8A200 T204A200-E202 PolarHBondContact O-N 3.49Å; E202-T204 PolarHBondContact O-N 3.21Å
203T47.4Very low50.2Low78 Ų78137.9 Ų137.948%0.47967%0.673SS.*  trans-84.395.8161.737.50000107.4E201 E205 Q208E201-T203 VanDerWaalsContact C-N 3.27Å; E201-T203 PolarHBondContact O-N 3.5Å; T203-E205 PolarHBondContact O-N 3.08Å; T203-Q208 PolarHBondContact OG1-NE2 2.66Å
204T64.8Low51.6Low105 Ų105137.8 Ų137.864%0.64467%0.669SS**  trans-30.1126.5176.9-20.80000112.8E202 E206 A207 Q208E202-T204 PolarHBondContact O-N 3.21Å; T204-E206 PolarHBondContact O-N 3.34Å; T204-A207 WeakPolarHBondContact O-CB 3.32Å; T204-A207 PolarHBondContact O-N 2.99Å; T204-Q208 PolarHBondContact O-N 3.48Å
205E59Low52.4Low147 Ų147136.3 Ų136.369%0.68766%0.66SS**Hα-helixtrans-52.7-27.9-175.2-65.2-175.3153.300113.5T203 R209T203-E205 PolarHBondContact O-N 3.08Å; E205-R209 VanDerWaalsContact O-CB 3.3Å; E205-R209 WeakPolarHBondContact O-CB 3.44Å; E205-R209 PolarHBondContact O-N 3.2Å
206E59.2Low53.8Low118 Ų118130.9 Ų130.955%0.55163%0.633SS**Hα-helixtrans-69.8-34.5177.1-160.8-178.5160.400112.7T204 R210T204-E206 PolarHBondContact O-N 3.34Å; E206-R210 WeakPolarHBondContact O-CG 3.25Å; E206-R210 PolarHBondContact O-N 3.43Å; E206-R210 VanDerWaalsContact O-N 3.08Å; E206-R210 IonicContact OE1-CZ 2.72Å; E206-R210 IonicContact OE1-NE 2.71Å; E206-R210 IonicContact OE1-NH2 3.55Å; E206-R210 PolarHBondContact OE1-NH2 3.38Å
207A57.2Low54.1Low58 Ų58127.3 Ų127.348%0.47961%0.614SS.*Hα-helixtrans-76-35.9176.600000111.7T204 R211T204-A207 WeakPolarHBondContact O-CB 3.32Å; T204-A207 PolarHBondContact O-N 2.99Å; A207-R211 WeakPolarHBondContact O-CB 3.47Å; A207-R211 PolarHBondContact O-N 3.23Å
208Q59.2Low54.9Low102 Ų102125 Ų12548%0.47760%0.604SS.*Hα-helixtrans-68.7-38.8173-69.9-175.1-9.800111.8T203 T204 R211 M212T203-Q208 PolarHBondContact OG1-NE2 2.66Å; T204-Q208 PolarHBondContact O-N 3.48Å; Q208-R211 PolarHBondContact O-N 3.42Å; Q208-M212 WeakPolarHBondContact O-CB 3.49Å; Q208-M212 PolarHBondContact O-N 3.47Å
209R62.9Low55.3Low161 Ų161120.6 Ų120.661%0.60859%0.586SS**Hα-helixtrans-67.1-41176.6-165.9178.2-59.71666.2112.2E205 M212 E213E205-R209 VanDerWaalsContact O-CB 3.3Å; E205-R209 WeakPolarHBondContact O-CB 3.44Å; E205-R209 PolarHBondContact O-N 3.2Å; R209-M212 CarbonylContact O-C 3.6Å; R209-M212 PolarHBondContact O-N 3.12Å; R209-E213 WeakPolarHBondContact O-CB 3.44Å; R209-E213 PolarHBondContact O-N 3.16Å
210R65.3Low55.6Low148 Ų148116 Ų11656%0.55857%0.572SS**Hα-helixtrans-65.1-39.9173.8-72.7-178.3-170.1-172.87.4112.2E206 M212 E213 E214E206-R210 WeakPolarHBondContact O-CG 3.25Å; E206-R210 PolarHBondContact O-N 3.43Å; E206-R210 VanDerWaalsContact O-N 3.08Å; E206-R210 IonicContact OE1-CZ 2.72Å; E206-R210 IonicContact OE1-NE 2.71Å; E206-R210 IonicContact OE1-NH2 3.55Å; E206-R210 PolarHBondContact OE1-NH2 3.38Å; R210-M212 VanDerWaalsContact C-N 3.33Å; R210-E213 PolarHBondContact O-N 3.11Å; R210-E214 VanDerWaalsContact O-CB 3.32Å; R210-E214 WeakPolarHBondContact O-CB 3.3Å; R210-E214 VanDerWaalsContact O-CG 3.31Å; R210-E214 WeakPolarHBondContact O-CG 3.43Å; R210-E214 PolarHBondContact O-N 2.89Å
211R65.2Low56.2Low182 Ų182119.6 Ų119.669%0.68758%0.582SS**Hα-helixtrans-67.1-36.6175.1-144.2175.6-166.5122.9-0.9111.4A207 Q208 I215A207-R211 WeakPolarHBondContact O-CB 3.47Å; A207-R211 PolarHBondContact O-N 3.23Å; Q208-R211 PolarHBondContact O-N 3.42Å; R211-I215 HydrophobicContact CG-CD1 4.28Å; R211-I215 WeakPolarHBondContact O-CB 3.36Å; R211-I215 VanDerWaalsContact O-CD1 3.24Å; R211-I215 WeakPolarHBondContact O-CD1 3.36Å; R211-I215 WeakPolarHBondContact O-CG1 3.05Å; R211-I215 PolarHBondContact O-N 3.38Å
212M54.5Low56.4Low134 Ų134118.6 Ų118.666%0.6658%0.58SS**Hα-helixtrans-74.4-34.1176.5-166.1173.4-71.100112.2Q208 R209 R210 S216Q208-M212 WeakPolarHBondContact O-CB 3.49Å; Q208-M212 PolarHBondContact O-N 3.47Å; R209-M212 CarbonylContact O-C 3.6Å; R209-M212 PolarHBondContact O-N 3.12Å; R210-M212 VanDerWaalsContact C-N 3.33Å; M212-S216 WeakPolarHBondContact O-CA 3.37Å; M212-S216 WeakPolarHBondContact O-CB 3.28Å; M212-S216 PolarHBondContact O-N 3.39Å; M212-S216 PolarHBondContact O-OG 3.27Å
213E63.2Low56.8Low113 Ų113114.1 Ų114.153%0.52857%0.566SS.*Hα-helixtrans-67.7-46.8171.2-91.9-179.215600111R209 R210 I215 S216 D217R209-E213 WeakPolarHBondContact O-CB 3.44Å; R209-E213 PolarHBondContact O-N 3.16Å; R210-E213 PolarHBondContact O-N 3.11Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-I215 PolarHBondContact O-N 2.97Å; E213-S216 WeakPolarHBondContact CA-OG 3.29Å; E213-S216 CarbonylContact O-C 3.52Å; E213-S216 PolarHBondContact O-N 2.97Å; E213-S216 VanDerWaalsContact O-N 3.09Å; E213-S216 PolarHBondContact O-OG 2.84Å; E213-D217 WeakPolarHBondContact O-CB 3.44Å; E213-D217 PolarHBondContact O-N 3.27Å
214E60.3Low56.9Low140 Ų140116.2 Ų116.265%0.65457%0.574SS**Hα-helixtrans-61.6-41.5174.6-76.8176.6178.800111.7R210 H218R210-E214 VanDerWaalsContact O-CB 3.32Å; R210-E214 WeakPolarHBondContact O-CB 3.3Å; R210-E214 VanDerWaalsContact O-CG 3.31Å; R210-E214 WeakPolarHBondContact O-CG 3.43Å; R210-E214 PolarHBondContact O-N 2.89Å; E214-H218 WeakPolarHBondContact O-CB 3.06Å; E214-H218 PolarHBondContact O-N 3.42Å
215I60.2Low56.2Low109 Ų109112.7 Ų112.756%0.55955%0.553SS**Hα-helixtrans-68.1-36.8173.2-69.2164.4000110.6R211 E213 A219R211-I215 HydrophobicContact CG-CD1 4.28Å; R211-I215 WeakPolarHBondContact O-CB 3.36Å; R211-I215 VanDerWaalsContact O-CD1 3.24Å; R211-I215 WeakPolarHBondContact O-CD1 3.36Å; R211-I215 WeakPolarHBondContact O-CG1 3.05Å; R211-I215 PolarHBondContact O-N 3.38Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-I215 PolarHBondContact O-N 2.97Å; I215-A219 WeakPolarHBondContact O-CA 3.44Å; I215-A219 WeakPolarHBondContact O-CB 3.07Å; I215-A219 PolarHBondContact O-N 2.86Å
216S63.7Low56Low39 Ų39113.2 Ų113.227%0.27356%0.556SS.*Hα-helixtrans-72.7-35.9179.579.40000112.8M212 E213 A219 K220M212-S216 WeakPolarHBondContact O-CA 3.37Å; M212-S216 WeakPolarHBondContact O-CB 3.28Å; M212-S216 PolarHBondContact O-N 3.39Å; M212-S216 PolarHBondContact O-OG 3.27Å; E213-S216 WeakPolarHBondContact CA-OG 3.29Å; E213-S216 CarbonylContact O-C 3.52Å; E213-S216 PolarHBondContact O-N 2.97Å; E213-S216 VanDerWaalsContact O-N 3.09Å; E213-S216 PolarHBondContact O-OG 2.84Å; S216-A219 PolarHBondContact O-N 3.08Å; S216-K220 WeakPolarHBondContact O-CB 3.37Å; S216-K220 VanDerWaalsContact O-CG 3.23Å; S216-K220 WeakPolarHBondContact O-CG 3.41Å; S216-K220 PolarHBondContact O-N 3.42Å
217D53Low55.8Low92 Ų92108.9 Ų108.949%0.49254%0.536SS..Hα-helixtrans-76.8-33.1176.1-75.8-12.4000110.5E213 K220 N221E213-D217 WeakPolarHBondContact O-CB 3.44Å; E213-D217 PolarHBondContact O-N 3.27Å; D217-K220 IonicContact OD1-NZ 3.93Å; D217-K220 PolarHBondContact OD1-NZ 3.43Å; D217-N221 PolarHBondContact O-N 3.05Å
218H53.7Low55.9Low124 Ų124109.1 Ų109.157%0.57453%0.529SS*.Hα-helixtrans-69.3-34.8168.3-157.942.9000112.2E214 N221 L222E214-H218 WeakPolarHBondContact O-CB 3.06Å; E214-H218 PolarHBondContact O-N 3.42Å; H218-N221 PolarHBondContact O-N 2.91Å; H218-L222 WeakPolarHBondContact O-CD1 3.32Å; H218-L222 WeakPolarHBondContact O-CG 3.49Å; H218-L222 PolarHBondContact O-N 3.45Å
219A49.1Very low55.9Low44 Ų44112.8 Ų112.836%0.36455%0.546SS..Hα-helixtrans-72.4-38175.800000112.6I215 S216 N221 L222 T223I215-A219 WeakPolarHBondContact O-CA 3.44Å; I215-A219 WeakPolarHBondContact O-CB 3.07Å; I215-A219 PolarHBondContact O-N 2.86Å; S216-A219 PolarHBondContact O-N 3.08Å; A219-N221 PolarHBondContact O-N 2.97Å; A219-L222 CarbonylContact O-C 3.59Å; A219-L222 WeakPolarHBondContact O-CA 3.24Å; A219-L222 PolarHBondContact O-N 2.64Å; A219-T223 PolarHBondContact O-N 2.94Å; A219-T223 PolarHBondContact O-OG1 3.05Å; A219-T223 VanDerWaalsContact O-OG1 3.09Å
220K50.4Low56.3Low134 Ų134108.4 Ų108.458%0.58353%0.532SS*.Hα-helixtrans-61.7-32.7171.5-75.9168-162.9156.40112S216 D217 L222 T223S216-K220 WeakPolarHBondContact O-CB 3.37Å; S216-K220 VanDerWaalsContact O-CG 3.23Å; S216-K220 WeakPolarHBondContact O-CG 3.41Å; S216-K220 PolarHBondContact O-N 3.42Å; D217-K220 IonicContact OD1-NZ 3.93Å; D217-K220 PolarHBondContact OD1-NZ 3.43Å; K220-L222 VanDerWaalsContact C-N 3.28Å; K220-T223 WeakPolarHBondContact CA-OG1 3.36Å; K220-T223 PolarHBondContact O-OG1 3.26Å
221N50.5Low56.9Low146 Ų146104.8 Ų104.878%0.78153%0.527SS*.THydrogen-bonded Turntrans-74.3-14.6172.2-112.121000113.7D217 H218 A219D217-N221 PolarHBondContact O-N 3.05Å; H218-N221 PolarHBondContact O-N 2.91Å; A219-N221 PolarHBondContact O-N 2.97Å
222L48.2Very low57.3Low129 Ų12998.4 Ų98.468%0.67551%0.506SS*.THydrogen-bonded Turntrans-109.3-19.6-176.8-80163.8000113.8H218 A219 K220 L224H218-L222 WeakPolarHBondContact O-CD1 3.32Å; H218-L222 WeakPolarHBondContact O-CG 3.49Å; H218-L222 PolarHBondContact O-N 3.45Å; A219-L222 CarbonylContact O-C 3.59Å; A219-L222 WeakPolarHBondContact O-CA 3.24Å; A219-L222 PolarHBondContact O-N 2.64Å; K220-L222 VanDerWaalsContact C-N 3.28Å; L222-L224 PolarHBondContact O-N 2.97Å
223T46.8Very low58.4Low94 Ų9497.2 Ų97.258%0.57750%0.499SS*.SBendtrans-67.8115.9162.633.70000108.2A219 K220 S225A219-T223 PolarHBondContact O-N 2.94Å; A219-T223 PolarHBondContact O-OG1 3.05Å; A219-T223 VanDerWaalsContact O-OG1 3.09Å; K220-T223 WeakPolarHBondContact CA-OG1 3.36Å; K220-T223 PolarHBondContact O-OG1 3.26Å; T223-S225 PolarHBondContact O-N 3.48Å
224L49.3Very low59.2Low122 Ų12296.3 Ų96.364%0.63950%0.495SS*.  trans-37.5114.1161.5-85.1121.9000107.7L222 E226 L228L222-L224 PolarHBondContact O-N 2.97Å; L224-E226 PolarHBondContact O-N 3.2Å; L224-L228 HydrophobicContact CD2-CD1 4.4Å
225S49.8Very low60.2Low30 Ų3091.3 Ų91.321%0.2147%0.47CS..  trans-57123.7-178.947.20000108T223 D227 L228 R265T223-S225 PolarHBondContact O-N 3.48Å; S225-D227 PolarHBondContact O-N 3.01Å; S225-L228 PolarHBondContact O-N 3.2Å; S225-R265 PolarHBondContact OG-NH1 3.25Å
226E54.7Low61.3Low158 Ų15887.6 Ų87.674%0.73845%0.452SS*.G310 helixtrans-46.9-15.4176.1-150.3173.3-168.200112.8L224L224-E226 PolarHBondContact O-N 3.2Å
227D54.7Low62.3Low27 Ų2790.3 Ų90.314%0.14446%0.464CS..G310 helixtrans-69.2-24.8172.8-62.9-29.5000115.5S225 E229 K230 R235 L238 R265 L266S225-D227 PolarHBondContact O-N 3.01Å; D227-E229 VanDerWaalsContact C-N 3.29Å; D227-E229 PolarHBondContact O-N 3.12Å; D227-K230 WeakPolarHBondContact O-CB 3.44Å; D227-K230 PolarHBondContact O-N 3.15Å; D227-K230 IonicContact OD1-NZ 2.73Å; D227-K230 PolarHBondContact OD1-NZ 3.07Å; D227-R235 VanDerWaalsContact O-CD 3.31Å; D227-R235 WeakPolarHBondContact O-CD 3.03Å; D227-R235 VanDerWaalsContact O-CG 3.24Å; D227-R235 WeakPolarHBondContact O-CG 3.4Å; D227-L238 HydrophobicContact CB-CD2 4.11Å; D227-L238 VanDerWaalsContact OD1-CD2 3.31Å; D227-L238 WeakPolarHBondContact OD1-CD2 3.16Å; D227-L238 WeakPolarHBondContact OD2-CD2 3.46Å; D227-R265 IonicContact OD2-CZ 2.75Å; D227-R265 VanDerWaalsContact OD2-CZ 3.31Å; D227-R265 IonicContact OD2-NH1 3.62Å; D227-R265 PolarHBondContact OD2-NH1 3.4Å; D227-R265 IonicContact OD2-NH2 2.63Å; D227-R265 PolarHBondContact OD2-NH2 2.84Å; D227-L266 HydrophobicContact CB-CD2 3.69Å
228L59.4Low63.8Low64 Ų6488.2 Ų88.234%0.33545%0.452SS..G310 helixtrans-74.3-21.4179.6-82.9156.8000112.8L224 S225 K230 R265 D267L224-L228 HydrophobicContact CD2-CD1 4.4Å; S225-L228 PolarHBondContact O-N 3.2Å; L228-K230 VanDerWaalsContact C-N 3.27Å; L228-R265 WeakPolarHBondContact CD2-O 3.38Å; L228-R265 WeakPolarHBondContact CG-O 3.48Å; L228-D267 HydrophobicContact CD2-CB 3.92Å
229E59.6Low65.4Low178 Ų17882.3 Ų82.383%0.83243%0.425SS*.G310 helixtrans-81.5-9.8176.1-61.6-175169.100112.4D227D227-E229 VanDerWaalsContact C-N 3.29Å; D227-E229 PolarHBondContact O-N 3.12Å
230K70.6Confident67.2Low70 Ų7082.3 Ų82.330%0.30442%0.416SS..SBendtrans-78.7151.4-179.8-64.7179.1-174.2164.60111.6D227 L228 E234 R235D227-K230 WeakPolarHBondContact O-CB 3.44Å; D227-K230 PolarHBondContact O-N 3.15Å; D227-K230 IonicContact OD1-NZ 2.73Å; D227-K230 PolarHBondContact OD1-NZ 3.07Å; L228-K230 VanDerWaalsContact C-N 3.27Å; K230-E234 HydrophobicContact CB-CB 4.04Å; K230-E234 WeakPolarHBondContact CD-OE2 3.46Å; K230-R235 HydrophobicContact CB-CG 4.33Å; K230-R235 PolarHBondContact O-NE 3.21Å
231P78.1Confident69Low71 Ų7179 Ų7946%0.46141%0.41SS..  trans-56.5152.6176.125.2-34.9000111.1E233 E234 R235P231-E233 PolarHBondContact O-N 3.05Å; P231-E233 VanDerWaalsContact O-N 3.07Å; P231-E234 HydrophobicContact CG-CB 4.09Å; P231-E234 HydrophobicContact CG-CG 3.81Å; P231-E234 PolarHBondContact O-N 3.34Å; P231-R235 PolarHBondContact O-N 3.18Å
232L74.6Confident70.8Confident48 Ų4874 Ų7425%0.25138%0.381SS..Hα-helixtrans-51-37.4-176.8-17670.1000112.5R235 V236 V268 V400L232-R235 PolarHBondContact O-N 3.28Å; L232-V236 WeakPolarHBondContact O-CB 3.21Å; L232-V236 VanDerWaalsContact O-CG2 3.28Å; L232-V236 WeakPolarHBondContact O-CG2 3.42Å; L232-V236 PolarHBondContact O-N 3.03Å; L232-V268 HydrophobicContact CD1-CG1 4.2Å; L232-V400 HydrophobicContact CD2-CB 4.38Å; L232-V400 HydrophobicContact CD2-CG1 4.45Å
233E75.9Confident72.6Confident110 Ų11067.8 Ų67.851%0.51435%0.349SS..Hα-helixtrans-63.3-44178.7-65.7179.8-171.600113.2P231 R235 V236 N237 V402P231-E233 PolarHBondContact O-N 3.05Å; P231-E233 VanDerWaalsContact O-N 3.07Å; E233-R235 VanDerWaalsContact C-N 3.33Å; E233-V236 PolarHBondContact O-N 2.74Å; E233-N237 WeakPolarHBondContact O-CB 3.49Å; E233-N237 PolarHBondContact O-N 2.94Å; E233-V402 HydrophobicContact CG-CB 4.44Å; E233-V402 HydrophobicContact CG-CG1 4.01Å; E233-V402 HydrophobicContact CG-CG2 3.56Å
234E80.9Confident74.6Confident94 Ų9467.9 Ų67.944%0.43934%0.341SS..Hα-helixtrans-67.9-37.7178.4-75.5-179.3-155.700110.8K230 P231 N237 L238K230-E234 HydrophobicContact CB-CB 4.04Å; K230-E234 WeakPolarHBondContact CD-OE2 3.46Å; P231-E234 HydrophobicContact CG-CB 4.09Å; P231-E234 HydrophobicContact CG-CG 3.81Å; P231-E234 PolarHBondContact O-N 3.34Å; E234-N237 PolarHBondContact O-N 3.27Å; E234-L238 WeakPolarHBondContact O-CB 3.22Å; E234-L238 WeakPolarHBondContact O-CD1 3.37Å; E234-L238 PolarHBondContact O-N 3.16Å
235R81.1Confident76.4Confident34 Ų3468 Ų6813%0.12834%0.339CS..Hα-helixtrans-63-44.3174.1-66.3-170.2-70.9148.6-11.4111.6D227 K230 P231 L232 E233 N237 L238 F239 L266 D267 V268D227-R235 VanDerWaalsContact O-CD 3.31Å; D227-R235 WeakPolarHBondContact O-CD 3.03Å; D227-R235 VanDerWaalsContact O-CG 3.24Å; D227-R235 WeakPolarHBondContact O-CG 3.4Å; K230-R235 HydrophobicContact CB-CG 4.33Å; K230-R235 PolarHBondContact O-NE 3.21Å; P231-R235 PolarHBondContact O-N 3.18Å; L232-R235 PolarHBondContact O-N 3.28Å; E233-R235 VanDerWaalsContact C-N 3.33Å; R235-N237 VanDerWaalsContact C-N 3.34Å; R235-N237 PolarHBondContact O-N 3.45Å; R235-L238 PolarHBondContact O-N 3.05Å; R235-F239 PolarHBondContact O-N 3.42Å; R235-L266 HydrophobicContact CB-CD2 4.5Å; R235-L266 WeakPolarHBondContact CD-O 3.2Å; R235-L266 HydrophobicContact CG-CD2 4.5Å; R235-L266 PolarHBondContact NH1-O 3.15Å; R235-D267 IonicContact NH1-OD2 3.81Å; R235-V268 HydrophobicContact CB-CG1 4.09Å
236V83.6Confident78.2Confident31 Ų3168.6 Ų68.619%0.18834%0.337CS..Hα-helixtrans-62-41.6174.8165.40000111.3L232 E233 F239 Y240 V268 I275L232-V236 WeakPolarHBondContact O-CB 3.21Å; L232-V236 VanDerWaalsContact O-CG2 3.28Å; L232-V236 WeakPolarHBondContact O-CG2 3.42Å; L232-V236 PolarHBondContact O-N 3.03Å; E233-V236 PolarHBondContact O-N 2.74Å; V236-F239 PolarHBondContact O-N 3.16Å; V236-Y240 WeakPolarHBondContact O-CB 3.24Å; V236-Y240 PolarHBondContact O-N 3.44Å; V236-V268 HydrophobicContact CG2-CG1 3.89Å; V236-I275 HydrophobicContact CG1-CD1 3.8Å
237N84.8Confident79.6Confident97 Ų9766.1 Ų66.152%0.51932%0.324SS..Hα-helixtrans-70.3-37.5179.1-167.425.8000112.5E233 E234 R235 F239 Y240 S241E233-N237 WeakPolarHBondContact O-CB 3.49Å; E233-N237 PolarHBondContact O-N 2.94Å; E234-N237 PolarHBondContact O-N 3.27Å; R235-N237 VanDerWaalsContact C-N 3.34Å; R235-N237 PolarHBondContact O-N 3.45Å; N237-F239 VanDerWaalsContact C-N 3.34Å; N237-Y240 WeakPolarHBondContact O-CB 3.39Å; N237-Y240 PolarHBondContact O-N 3.21Å; N237-S241 WeakPolarHBondContact O-CB 3.45Å; N237-S241 PolarHBondContact O-N 3.35Å
238L84.1Confident81.1Confident47 Ų4771.8 Ų71.825%0.24635%0.35CS..Hα-helixtrans-58.4-48.4170.7-103.972.4000110.4D227 E234 R235 Y240 S241 F242 L266D227-L238 HydrophobicContact CB-CD2 4.11Å; D227-L238 VanDerWaalsContact OD1-CD2 3.31Å; D227-L238 WeakPolarHBondContact OD1-CD2 3.16Å; D227-L238 WeakPolarHBondContact OD2-CD2 3.46Å; E234-L238 WeakPolarHBondContact O-CB 3.22Å; E234-L238 WeakPolarHBondContact O-CD1 3.37Å; E234-L238 PolarHBondContact O-N 3.16Å; R235-L238 PolarHBondContact O-N 3.05Å; L238-Y240 VanDerWaalsContact C-N 3.34Å; L238-Y240 PolarHBondContact O-N 3.42Å; L238-S241 PolarHBondContact O-N 3.06Å; L238-S241 PolarHBondContact O-OG 2.9Å; L238-F242 PolarHBondContact O-N 3.35Å; L238-L266 HydrophobicContact CB-CD1 4.1Å; L238-L266 HydrophobicContact CB-CD2 4.47Å; L238-L266 HydrophobicContact CD2-CD2 4.29Å
239F87.3Confident82.2Confident0 Ų072 Ų720%036%0.356CS..Hα-helixtrans-60.9-42.8176.7-175.4-103.4000112.1R235 V236 N237 S241 F242 V243 I259 E262 A263 L266 V268 I275 F299R235-F239 PolarHBondContact O-N 3.42Å; V236-F239 PolarHBondContact O-N 3.16Å; N237-F239 VanDerWaalsContact C-N 3.34Å; F239-S241 PolarHBondContact O-N 2.78Å; F239-F242 WeakPolarHBondContact O-CB 3.3Å; F239-F242 PolarHBondContact O-N 3.39Å; F239-V243 HydrophobicContact CD1-CG2 4.15Å; F239-V243 HydrophobicContact CE1-CG2 3.74Å; F239-V243 HydrophobicContact CE2-CG2 4.08Å; F239-V243 HydrophobicContact CZ-CG2 3.72Å; F239-V243 WeakPolarHBondContact O-CG2 2.99Å; F239-V243 PolarHBondContact O-N 3.42Å; F239-I259 HydrophobicContact CE2-CG2 3.96Å; F239-I259 WeakPolarHBondContact CE2-O 3.48Å; F239-I259 HydrophobicContact CZ-CG2 3.62Å; F239-E262 HydrophobicContact CD2-CB 4.44Å; F239-E262 HydrophobicContact CD2-CG 4.13Å; F239-E262 HydrophobicContact CE2-CB 4.45Å; F239-A263 HydrophobicContact CD2-CB 4.17Å; F239-A263 HydrophobicContact CE2-CB 3.57Å; F239-A263 HydrophobicContact CZ-CB 3.96Å; F239-L266 HydrophobicContact CB-CD1 3.77Å; F239-L266 HydrophobicContact CD2-CD1 4.41Å; F239-V268 HydrophobicContact CB-CG2 4.1Å; F239-V268 HydrophobicContact CD2-CG2 4.47Å; F239-V268 HydrophobicContact CG-CG2 4.16Å; F239-I275 HydrophobicContact CD1-CB 4.2Å; F239-I275 HydrophobicContact CD1-CD1 3.49Å; F239-I275 VanDerWaalsContact CD1-CD1 3.49Å; F239-I275 HydrophobicContact CD1-CG1 4.43Å; F239-I275 HydrophobicContact CD1-CG2 3.94Å; F239-I275 HydrophobicContact CE1-CB 4.16Å; F239-I275 HydrophobicContact CE1-CD1 4.1Å; F239-I275 HydrophobicContact CE1-CG2 4.05Å; F239-F299 HydrophobicContact CZ-CZ 4.48Å
240Y87.9Confident83.1Confident44 Ų4466.1 Ų66.117%0.17334%0.344CS..Hα-helixtrans-58.4-46.6174.8-176.5-85.3000111.7V236 N237 L238 F242 V243 K244 I275 L279V236-Y240 WeakPolarHBondContact O-CB 3.24Å; V236-Y240 PolarHBondContact O-N 3.44Å; N237-Y240 WeakPolarHBondContact O-CB 3.39Å; N237-Y240 PolarHBondContact O-N 3.21Å; L238-Y240 VanDerWaalsContact C-N 3.34Å; L238-Y240 PolarHBondContact O-N 3.42Å; Y240-F242 VanDerWaalsContact C-N 3.31Å; Y240-F242 PolarHBondContact O-N 2.9Å; Y240-V243 PolarHBondContact O-N 2.91Å; Y240-K244 HydrophobicContact CE1-CD 4.24Å; Y240-K244 VanDerWaalsContact O-CB 3.3Å; Y240-K244 WeakPolarHBondContact O-CB 3.23Å; Y240-K244 PolarHBondContact O-N 3.24Å; Y240-I275 HydrophobicContact CD2-CG2 3.85Å; Y240-I275 HydrophobicContact CG-CG2 4.45Å; Y240-L279 HydrophobicContact CD2-CD1 4.02Å; Y240-L279 HydrophobicContact CD2-CD2 4.49Å; Y240-L279 HydrophobicContact CD2-CG 4.29Å; Y240-L279 HydrophobicContact CE1-CD2 4.26Å; Y240-L279 HydrophobicContact CE2-CD1 4.05Å; Y240-L279 HydrophobicContact CE2-CD2 3.74Å; Y240-L279 HydrophobicContact CE2-CG 3.85Å; Y240-L279 HydrophobicContact CG-CD1 4.43Å
241S87.5Confident83.5Confident65 Ų6566.3 Ų66.346%0.45535%0.351SS..Hα-helixtrans-61.9-39.6178.777.60000112N237 L238 F239 K244 Q245N237-S241 WeakPolarHBondContact O-CB 3.45Å; N237-S241 PolarHBondContact O-N 3.35Å; L238-S241 PolarHBondContact O-N 3.06Å; L238-S241 PolarHBondContact O-OG 2.9Å; F239-S241 PolarHBondContact O-N 2.78Å; S241-K244 PolarHBondContact O-N 2.83Å; S241-Q245 WeakPolarHBondContact O-CB 3.1Å; S241-Q245 PolarHBondContact O-N 3.44Å
242F87.4Confident83.5Confident40 Ų4063.3 Ų63.318%0.17533%0.331CS..Hα-helixtrans-64.3-49.6176.5179.2-97.5000112L238 F239 Y240 K244 Q245 K246 I259 E262L238-F242 PolarHBondContact O-N 3.35Å; F239-F242 WeakPolarHBondContact O-CB 3.3Å; F239-F242 PolarHBondContact O-N 3.39Å; Y240-F242 VanDerWaalsContact C-N 3.31Å; Y240-F242 PolarHBondContact O-N 2.9Å; F242-K244 VanDerWaalsContact C-N 3.29Å; F242-K244 PolarHBondContact O-N 3.48Å; F242-Q245 PolarHBondContact O-N 2.93Å; F242-K246 HydrophobicContact CD1-CG 4.33Å; F242-K246 HydrophobicContact CE1-CG 4.02Å; F242-K246 HydrophobicContact CZ-CD 4.45Å; F242-K246 HydrophobicContact CZ-CG 4.16Å; F242-K246 WeakPolarHBondContact O-CG 3.39Å; F242-K246 PolarHBondContact O-N 2.97Å; F242-I259 HydrophobicContact CE1-CG1 4.22Å; F242-E262 HydrophobicContact CB-CG 4.38Å; F242-E262 HydrophobicContact CD1-CB 4.05Å; F242-E262 HydrophobicContact CD1-CG 3.79Å; F242-E262 HydrophobicContact CD2-CG 4.27Å; F242-E262 HydrophobicContact CE1-CB 3.86Å; F242-E262 HydrophobicContact CE1-CG 4.05Å; F242-E262 HydrophobicContact CG-CG 3.89Å; F242-E262 HydrophobicContact CZ-CB 4.25Å; F242-E262 HydrophobicContact CZ-CG 4.39Å
243V86.4Confident83.6Confident0 Ų064.3 Ų64.30%034%0.337CS..Hα-helixtrans-63.5-38.4178.6178.70000110.7F239 Y240 K246 K247 I252 I259 L276 L279F239-V243 HydrophobicContact CD1-CG2 4.15Å; F239-V243 HydrophobicContact CE1-CG2 3.74Å; F239-V243 HydrophobicContact CE2-CG2 4.08Å; F239-V243 HydrophobicContact CZ-CG2 3.72Å; F239-V243 WeakPolarHBondContact O-CG2 2.99Å; F239-V243 PolarHBondContact O-N 3.42Å; Y240-V243 PolarHBondContact O-N 2.91Å; V243-K246 PolarHBondContact O-N 3.46Å; V243-K247 WeakPolarHBondContact O-CB 3.39Å; V243-K247 PolarHBondContact O-N 3.07Å; V243-I252 HydrophobicContact CG1-CD1 4.34Å; V243-I259 HydrophobicContact CG2-CG2 4.21Å; V243-L276 HydrophobicContact CG1-CD2 3.91Å; V243-L276 HydrophobicContact CG2-CD2 4.49Å; V243-L279 HydrophobicContact CB-CD1 3.65Å; V243-L279 HydrophobicContact CG1-CB 4.38Å; V243-L279 HydrophobicContact CG1-CD1 3.45Å; V243-L279 VanDerWaalsContact CG1-CD1 3.45Å
244K88.8Confident83.7Confident95 Ų9561.5 Ų61.541%0.41334%0.338SS..Hα-helixtrans-62.5-44.7174.9-174.6178.4177-1760112Y240 S241 F242 K246 K247 E248Y240-K244 HydrophobicContact CE1-CD 4.24Å; Y240-K244 VanDerWaalsContact O-CB 3.3Å; Y240-K244 WeakPolarHBondContact O-CB 3.23Å; Y240-K244 PolarHBondContact O-N 3.24Å; S241-K244 PolarHBondContact O-N 2.83Å; F242-K244 VanDerWaalsContact C-N 3.29Å; F242-K244 PolarHBondContact O-N 3.48Å; K244-K246 VanDerWaalsContact C-N 3.32Å; K244-K246 PolarHBondContact O-N 2.89Å; K244-K247 WeakPolarHBondContact O-CB 3.46Å; K244-K247 PolarHBondContact O-N 3.09Å; K244-E248 VanDerWaalsContact CE-OE1 3.29Å; K244-E248 WeakPolarHBondContact CE-OE1 3.45Å; K244-E248 WeakPolarHBondContact O-CG 3.5Å; K244-E248 PolarHBondContact O-N 3.12Å
245Q88.4Confident83.8Confident126 Ų12657.1 Ų57.159%0.58932%0.317SS*.Hα-helixtrans-62.3-39.2175.3-170.2-176.223.100111.9S241 F242 K247 E248 S249S241-Q245 WeakPolarHBondContact O-CB 3.1Å; S241-Q245 PolarHBondContact O-N 3.44Å; F242-Q245 PolarHBondContact O-N 2.93Å; Q245-K247 VanDerWaalsContact C-N 3.33Å; Q245-K247 PolarHBondContact O-N 3.44Å; Q245-E248 PolarHBondContact O-N 3.1Å; Q245-S249 WeakPolarHBondContact O-CB 3.48Å; Q245-S249 PolarHBondContact O-N 3.23Å; Q245-S249 PolarHBondContact O-OG 2.67Å
246K86.1Confident83.8Confident41 Ų4155.7 Ų55.718%0.17831%0.312CS..Hα-helixtrans-67.1-33.3175.3-70.4-72.1175.8173.20112.8F242 V243 K244 S249 G250 T251 A255 E258F242-K246 HydrophobicContact CD1-CG 4.33Å; F242-K246 HydrophobicContact CE1-CG 4.02Å; F242-K246 HydrophobicContact CZ-CD 4.45Å; F242-K246 HydrophobicContact CZ-CG 4.16Å; F242-K246 WeakPolarHBondContact O-CG 3.39Å; F242-K246 PolarHBondContact O-N 2.97Å; V243-K246 PolarHBondContact O-N 3.46Å; K244-K246 VanDerWaalsContact C-N 3.32Å; K244-K246 PolarHBondContact O-N 2.89Å; K246-S249 WeakPolarHBondContact CA-OG 3.49Å; K246-S249 PolarHBondContact O-OG 2.99Å; K246-S249 VanDerWaalsContact O-OG 3.08Å; K246-G250 PolarHBondContact O-N 2.86Å; K246-T251 PolarHBondContact O-N 3.45Å; K246-A255 HydrophobicContact CD-CB 4.35Å; K246-E258 WeakPolarHBondContact CE-OE2 3.07Å; K246-E258 IonicContact NZ-OE2 2.78Å; K246-E258 PolarHBondContact NZ-OE2 2.82Å
247K84.9Confident83.9Confident106 Ų10661 Ų6146%0.46133%0.333SS..Hα-helixtrans-67.3-47171.7-176.5-179.1175.4-1790111.6V243 K244 Q245 S249 G250 I252 L279V243-K247 WeakPolarHBondContact O-CB 3.39Å; V243-K247 PolarHBondContact O-N 3.07Å; K244-K247 WeakPolarHBondContact O-CB 3.46Å; K244-K247 PolarHBondContact O-N 3.09Å; Q245-K247 VanDerWaalsContact C-N 3.33Å; Q245-K247 PolarHBondContact O-N 3.44Å; K247-S249 VanDerWaalsContact C-N 3.33Å; K247-S249 PolarHBondContact O-N 2.91Å; K247-G250 PolarHBondContact O-N 3.35Å; K247-G250 VanDerWaalsContact O-N 3.13Å; K247-I252 HydrophobicContact CB-CD1 4.12Å; K247-L279 WeakPolarHBondContact CE-O 3.16Å; K247-L279 PolarHBondContact NZ-O 3.21Å
248E86.3Confident84Confident146 Ų14661 Ų6168%0.68233%0.33SS*.Hα-helixtrans-66-34.5-180-72.6174.7-174.600112.6K244 Q245 G250K244-E248 VanDerWaalsContact CE-OE1 3.29Å; K244-E248 WeakPolarHBondContact CE-OE1 3.45Å; K244-E248 WeakPolarHBondContact O-CG 3.5Å; K244-E248 PolarHBondContact O-N 3.12Å; Q245-E248 PolarHBondContact O-N 3.1Å; E248-G250 PolarHBondContact O-N 2.88Å
249S82.1Confident84.2Confident68 Ų6858.9 Ų58.948%0.47632%0.318SS..THydrogen-bonded Turntrans-76.4-6.5174.358.30000114.3Q245 K246 K247 T251Q245-S249 WeakPolarHBondContact O-CB 3.48Å; Q245-S249 PolarHBondContact O-N 3.23Å; Q245-S249 PolarHBondContact O-OG 2.67Å; K246-S249 WeakPolarHBondContact CA-OG 3.49Å; K246-S249 PolarHBondContact O-OG 2.99Å; K246-S249 VanDerWaalsContact O-OG 3.08Å; K247-S249 VanDerWaalsContact C-N 3.33Å; K247-S249 PolarHBondContact O-N 2.91Å; S249-T251 PolarHBondContact O-N 2.94Å; S249-T251 VanDerWaalsContact O-N 3.16Å; S249-T251 PolarHBondContact OG-OG1 2.76Å; S249-T251 VanDerWaalsContact OG-OG1 3.07Å
250G78.6Confident84.2Confident56 Ų5660.1 Ų60.158%0.57733%0.325SS*.THydrogen-bonded Turntrans689.8177.800000115.1K246 K247 E248 I252K246-G250 PolarHBondContact O-N 2.86Å; K247-G250 PolarHBondContact O-N 3.35Å; K247-G250 VanDerWaalsContact O-N 3.13Å; E248-G250 PolarHBondContact O-N 2.88Å; G250-I252 VanDerWaalsContact C-N 3.31Å
251T79.9Confident84.1Confident73 Ų7360.6 Ų60.645%0.44834%0.338SS..  trans-89.94.4-178.352.80000113.4K246 S249 D253 G254 A255K246-T251 PolarHBondContact O-N 3.45Å; S249-T251 PolarHBondContact O-N 2.94Å; S249-T251 VanDerWaalsContact O-N 3.16Å; S249-T251 PolarHBondContact OG-OG1 2.76Å; S249-T251 VanDerWaalsContact OG-OG1 3.07Å; T251-D253 VanDerWaalsContact C-N 3.31Å; T251-D253 PolarHBondContact O-N 3.09Å; T251-G254 PolarHBondContact O-N 2.85Å; T251-A255 PolarHBondContact O-N 3.21Å
252I77.1Confident84.1Confident8 Ų858.9 Ų58.94%0.04132%0.323CS..G310 helixtrans-60.6-35.7-169.7-161139.3000113.3V243 K247 G250 G254 A255 I259 L280 Y292 H295V243-I252 HydrophobicContact CG1-CD1 4.34Å; K247-I252 HydrophobicContact CB-CD1 4.12Å; G250-I252 VanDerWaalsContact C-N 3.31Å; I252-G254 PolarHBondContact O-N 2.86Å; I252-G254 VanDerWaalsContact O-N 3.1Å; I252-A255 PolarHBondContact O-N 3.43Å; I252-A255 VanDerWaalsContact O-N 3.13Å; I252-I259 HydrophobicContact CD1-CD1 4.5Å; I252-I259 HydrophobicContact CG1-CD1 4.24Å; I252-L280 HydrophobicContact CD1-CD2 3.53Å; I252-L280 HydrophobicContact CG1-CD2 4.15Å; I252-Y292 HydrophobicContact CG2-CE1 3.97Å; I252-H295 PolarHBondContact O-CE1 2.89Å; I252-H295 PolarHBondContact O-NE2 3.35Å
253D76.3Confident84.1Confident69 Ų6957 Ų5737%0.36932%0.315SS..G310 helixtrans-62-23.3-176.9-65.3-24.4000113.4T251 K291 Y292 R294T251-D253 VanDerWaalsContact C-N 3.31Å; T251-D253 PolarHBondContact O-N 3.09Å; D253-K291 VanDerWaalsContact CG-NZ 3.26Å; D253-K291 WeakPolarHBondContact OD1-CE 3.42Å; D253-K291 IonicContact OD1-NZ 3.34Å; D253-K291 PolarHBondContact OD1-NZ 3.41Å; D253-K291 VanDerWaalsContact OD2-CE 3.28Å; D253-K291 WeakPolarHBondContact OD2-CE 3.42Å; D253-K291 IonicContact OD2-NZ 3.88Å; D253-K291 PolarHBondContact OD2-NZ 2.75Å; D253-Y292 VanDerWaalsContact OD1-CE1 3.32Å; D253-Y292 WeakPolarHBondContact OD1-CE1 3.43Å; D253-R294 PolarHBondContact O-NH2 3.27Å
254G78.9Confident84.2Confident52 Ų5261.7 Ų61.754%0.53634%0.337SS..G310 helixtrans-106.7-10.2177.100000115.2T251 I252 D256T251-G254 PolarHBondContact O-N 2.85Å; I252-G254 PolarHBondContact O-N 2.86Å; I252-G254 VanDerWaalsContact O-N 3.1Å; G254-D256 VanDerWaalsContact C-N 3.3Å; G254-D256 PolarHBondContact O-N 2.7Å; G254-D256 VanDerWaalsContact O-OD1 3.13Å
255A82.3Confident84Confident1 Ų161 Ų611%0.00833%0.331CS..THydrogen-bonded Turntrans-88.717-170.700000114.1K246 T251 I252 K257 E258 I259K246-A255 HydrophobicContact CD-CB 4.35Å; T251-A255 PolarHBondContact O-N 3.21Å; I252-A255 PolarHBondContact O-N 3.43Å; I252-A255 VanDerWaalsContact O-N 3.13Å; A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 2.98Å; A255-E258 HydrophobicContact CB-CB 4.43Å; A255-E258 PolarHBondContact O-N 2.78Å; A255-E258 VanDerWaalsContact O-N 3.14Å; A255-I259 HydrophobicContact CB-CD1 4.21Å; A255-I259 HydrophobicContact CB-CG1 4.37Å; A255-I259 WeakPolarHBondContact O-CB 3.4Å; A255-I259 VanDerWaalsContact O-CG1 3.24Å; A255-I259 WeakPolarHBondContact O-CG1 3.28Å; A255-I259 PolarHBondContact O-N 2.86Å
256D81.9Confident83.8Confident5 Ų555 Ų553%0.02730%0.303CS..Hα-helixtrans-58.9-36.6-177.659.6-46.4000113.1G254 L260 R294 R298G254-D256 VanDerWaalsContact C-N 3.3Å; G254-D256 PolarHBondContact O-N 2.7Å; G254-D256 VanDerWaalsContact O-OD1 3.13Å; D256-L260 PolarHBondContact O-N 3.3Å; D256-R294 VanDerWaalsContact CG-NE 3.26Å; D256-R294 IonicContact OD1-CZ 3.29Å; D256-R294 IonicContact OD1-NE 2.82Å; D256-R294 IonicContact OD1-NH2 2.88Å; D256-R294 PolarHBondContact OD1-NH2 3.28Å; D256-R294 IonicContact OD2-CZ 2.99Å; D256-R294 IonicContact OD2-NE 2.7Å; D256-R294 PolarHBondContact OD2-NE 2.87Å; D256-R294 IonicContact OD2-NH2 2.94Å; D256-R294 PolarHBondContact OD2-NH2 2.84Å; D256-R298 VanDerWaalsContact CG-NE 3.32Å; D256-R298 WeakPolarHBondContact O-CD 3.42Å; D256-R298 IonicContact OD2-CZ 2.81Å; D256-R298 IonicContact OD2-NE 3.53Å; D256-R298 PolarHBondContact OD2-NE 3.02Å; D256-R298 IonicContact OD2-NH2 3.5Å; D256-R298 PolarHBondContact OD2-NH2 3.02Å
257K85.6Confident83.7Confident142 Ų14258.3 Ų58.362%0.61732%0.323SS*.Hα-helixtrans-73.7-38.9175.3-66.1179.8-176.5177.50112.6A255 L260 A261A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 2.98Å; K257-L260 PolarHBondContact O-N 3.43Å; K257-A261 WeakPolarHBondContact O-CB 3.43Å; K257-A261 PolarHBondContact O-N 2.81Å
258E86.8Confident83.7Confident98 Ų9853.5 Ų53.546%0.45830%0.302SS..Hα-helixtrans-68.7-41.4-179.1-64.4175.3-163.500111K246 A255 L260 A261 E262K246-E258 WeakPolarHBondContact CE-OE2 3.07Å; K246-E258 IonicContact NZ-OE2 2.78Å; K246-E258 PolarHBondContact NZ-OE2 2.82Å; A255-E258 HydrophobicContact CB-CB 4.43Å; A255-E258 PolarHBondContact O-N 2.78Å; A255-E258 VanDerWaalsContact O-N 3.14Å; E258-L260 VanDerWaalsContact C-N 3.32Å; E258-L260 PolarHBondContact O-N 3.39Å; E258-A261 PolarHBondContact O-N 3.32Å; E258-E262 WeakPolarHBondContact O-CB 3.48Å; E258-E262 PolarHBondContact O-N 2.74Å
259I87.2Confident83.7Confident1 Ų150 Ų501%0.00529%0.285CS..Hα-helixtrans-64.6-39.3175.7-65.4167000110.4F239 F242 V243 I252 A255 A263 L276 F299F239-I259 HydrophobicContact CE2-CG2 3.96Å; F239-I259 WeakPolarHBondContact CE2-O 3.48Å; F239-I259 HydrophobicContact CZ-CG2 3.62Å; F242-I259 HydrophobicContact CE1-CG1 4.22Å; V243-I259 HydrophobicContact CG2-CG2 4.21Å; I252-I259 HydrophobicContact CD1-CD1 4.5Å; I252-I259 HydrophobicContact CG1-CD1 4.24Å; A255-I259 HydrophobicContact CB-CD1 4.21Å; A255-I259 HydrophobicContact CB-CG1 4.37Å; A255-I259 WeakPolarHBondContact O-CB 3.4Å; A255-I259 VanDerWaalsContact O-CG1 3.24Å; A255-I259 WeakPolarHBondContact O-CG1 3.28Å; A255-I259 PolarHBondContact O-N 2.86Å; I259-A263 WeakPolarHBondContact O-CB 3.23Å; I259-A263 PolarHBondContact O-N 3.32Å; I259-L276 HydrophobicContact CG2-CD2 4.24Å; I259-F299 HydrophobicContact CG2-CE2 4.02Å; I259-F299 HydrophobicContact CG2-CZ 3.93Å
260L87.2Confident83.9Confident26 Ų2647.8 Ų47.814%0.13627%0.271CS..Hα-helixtrans-65.2-46.4174.6-176.168.4000111.7D256 K257 E258 E262 A263 E264 K269 R298 F299D256-L260 PolarHBondContact O-N 3.3Å; K257-L260 PolarHBondContact O-N 3.43Å; E258-L260 VanDerWaalsContact C-N 3.32Å; E258-L260 PolarHBondContact O-N 3.39Å; L260-E262 VanDerWaalsContact C-N 3.31Å; L260-E262 PolarHBondContact O-N 3.34Å; L260-A263 PolarHBondContact O-N 2.93Å; L260-E264 WeakPolarHBondContact O-CB 3.31Å; L260-E264 WeakPolarHBondContact O-CG 3.33Å; L260-E264 PolarHBondContact O-N 3.33Å; L260-K269 HydrophobicContact CD1-CD 4.5Å; L260-R298 HydrophobicContact CD2-CB 4.33Å; L260-F299 HydrophobicContact CB-CZ 4.33Å; L260-F299 HydrophobicContact CD1-CD1 3.96Å; L260-F299 HydrophobicContact CD1-CE1 3.63Å; L260-F299 HydrophobicContact CD1-CZ 3.98Å
261A87.6Confident84.1Confident54 Ų5446.8 Ų46.845%0.44625%0.252SS..Hα-helixtrans-61.6-39.9179.400000111.7K257 E258 E264 R265K257-A261 WeakPolarHBondContact O-CB 3.43Å; K257-A261 PolarHBondContact O-N 2.81Å; E258-A261 PolarHBondContact O-N 3.32Å; A261-E264 PolarHBondContact O-N 3.4Å; A261-R265 WeakPolarHBondContact O-CB 3.47Å; A261-R265 PolarHBondContact O-N 3.15Å
262E86.3Confident84.4Confident30 Ų3043.3 Ų43.314%0.1423%0.23CC..Hα-helixtrans-68.9-39176.7-171.962-165.800112.1F239 F242 E258 L260 E264 R265 L266F239-E262 HydrophobicContact CD2-CB 4.44Å; F239-E262 HydrophobicContact CD2-CG 4.13Å; F239-E262 HydrophobicContact CE2-CB 4.45Å; F242-E262 HydrophobicContact CB-CG 4.38Å; F242-E262 HydrophobicContact CD1-CB 4.05Å; F242-E262 HydrophobicContact CD1-CG 3.79Å; F242-E262 HydrophobicContact CD2-CG 4.27Å; F242-E262 HydrophobicContact CE1-CB 3.86Å; F242-E262 HydrophobicContact CE1-CG 4.05Å; F242-E262 HydrophobicContact CG-CG 3.89Å; F242-E262 HydrophobicContact CZ-CB 4.25Å; F242-E262 HydrophobicContact CZ-CG 4.39Å; E258-E262 WeakPolarHBondContact O-CB 3.48Å; E258-E262 PolarHBondContact O-N 2.74Å; L260-E262 VanDerWaalsContact C-N 3.31Å; L260-E262 PolarHBondContact O-N 3.34Å; E262-E264 VanDerWaalsContact C-N 3.32Å; E262-E264 PolarHBondContact O-N 3.38Å; E262-R265 VanDerWaalsContact CD-NE 3.31Å; E262-R265 PolarHBondContact O-N 3.32Å; E262-R265 IonicContact OE1-CZ 3.13Å; E262-R265 VanDerWaalsContact OE1-CZ 3.27Å; E262-R265 IonicContact OE1-NE 3.47Å; E262-R265 PolarHBondContact OE1-NE 3.48Å; E262-R265 VanDerWaalsContact OE1-NE 3.12Å; E262-R265 IonicContact OE1-NH2 3.78Å; E262-R265 PolarHBondContact OE1-NH2 2.94Å; E262-R265 IonicContact OE2-CZ 3.68Å; E262-R265 IonicContact OE2-NE 2.67Å; E262-R265 PolarHBondContact OE2-NE 3.28Å; E262-R265 IonicContact OE2-NH2 3.54Å; E262-L266 HydrophobicContact CG-CD1 4.13Å; E262-L266 WeakPolarHBondContact O-CB 3.45Å; E262-L266 WeakPolarHBondContact O-CG 3.45Å; E262-L266 PolarHBondContact O-N 3.29Å
263A87.6Confident85Confident0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-65.8-35.1174.600000112.5F239 I259 L260 D267 V268 K269 F299F239-A263 HydrophobicContact CD2-CB 4.17Å; F239-A263 HydrophobicContact CE2-CB 3.57Å; F239-A263 HydrophobicContact CZ-CB 3.96Å; I259-A263 WeakPolarHBondContact O-CB 3.23Å; I259-A263 PolarHBondContact O-N 3.32Å; L260-A263 PolarHBondContact O-N 2.93Å; A263-D267 PolarHBondContact O-N 2.7Å; A263-D267 VanDerWaalsContact O-N 3.1Å; A263-V268 PolarHBondContact O-N 3.04Å; A263-K269 PolarHBondContact O-N 3.37Å; A263-F299 HydrophobicContact CB-CE1 3.58Å; A263-F299 HydrophobicContact CB-CZ 3.97Å
264E87.9Confident85.6Confident99 Ų9941.1 Ų41.146%0.46322%0.218SC..Hα-helixtrans-71.7-40.3173.7-75177.417300111.4L260 A261 E262 L266 D267 K269L260-E264 WeakPolarHBondContact O-CB 3.31Å; L260-E264 WeakPolarHBondContact O-CG 3.33Å; L260-E264 PolarHBondContact O-N 3.33Å; A261-E264 PolarHBondContact O-N 3.4Å; E262-E264 VanDerWaalsContact C-N 3.32Å; E262-E264 PolarHBondContact O-N 3.38Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 3.01Å; E264-D267 PolarHBondContact O-N 3.12Å; E264-D267 VanDerWaalsContact O-N 3.15Å; E264-K269 HydrophobicContact CG-CD 4.01Å; E264-K269 IonicContact OE1-NZ 2.91Å; E264-K269 PolarHBondContact OE1-NZ 3.41Å
265R85.9Confident86Confident80 Ų8039.1 Ų39.130%0.30220%0.195SC..Hα-helixtrans-59.6-41.1175.3-172.2-173.676.783.6-8.3112S225 D227 L228 A261 E262 D267S225-R265 PolarHBondContact OG-NH1 3.25Å; D227-R265 IonicContact OD2-CZ 2.75Å; D227-R265 VanDerWaalsContact OD2-CZ 3.31Å; D227-R265 IonicContact OD2-NH1 3.62Å; D227-R265 PolarHBondContact OD2-NH1 3.4Å; D227-R265 IonicContact OD2-NH2 2.63Å; D227-R265 PolarHBondContact OD2-NH2 2.84Å; L228-R265 WeakPolarHBondContact CD2-O 3.38Å; L228-R265 WeakPolarHBondContact CG-O 3.48Å; A261-R265 WeakPolarHBondContact O-CB 3.47Å; A261-R265 PolarHBondContact O-N 3.15Å; E262-R265 VanDerWaalsContact CD-NE 3.31Å; E262-R265 PolarHBondContact O-N 3.32Å; E262-R265 IonicContact OE1-CZ 3.13Å; E262-R265 VanDerWaalsContact OE1-CZ 3.27Å; E262-R265 IonicContact OE1-NE 3.47Å; E262-R265 PolarHBondContact OE1-NE 3.48Å; E262-R265 VanDerWaalsContact OE1-NE 3.12Å; E262-R265 IonicContact OE1-NH2 3.78Å; E262-R265 PolarHBondContact OE1-NH2 2.94Å; E262-R265 IonicContact OE2-CZ 3.68Å; E262-R265 IonicContact OE2-NE 2.67Å; E262-R265 PolarHBondContact OE2-NE 3.28Å; E262-R265 IonicContact OE2-NH2 3.54Å; R265-D267 VanDerWaalsContact C-N 3.34Å
266L83.4Confident86.3Confident0 Ų039 Ų390%020%0.195CC..THydrogen-bonded Turntrans-87.6-3179.6-67.9170.7000113D227 R235 L238 F239 E262 E264 V268D227-L266 HydrophobicContact CB-CD2 3.69Å; R235-L266 HydrophobicContact CB-CD2 4.5Å; R235-L266 WeakPolarHBondContact CD-O 3.2Å; R235-L266 HydrophobicContact CG-CD2 4.5Å; R235-L266 PolarHBondContact NH1-O 3.15Å; L238-L266 HydrophobicContact CB-CD1 4.1Å; L238-L266 HydrophobicContact CB-CD2 4.47Å; L238-L266 HydrophobicContact CD2-CD2 4.29Å; F239-L266 HydrophobicContact CB-CD1 3.77Å; F239-L266 HydrophobicContact CD2-CD1 4.41Å; E262-L266 HydrophobicContact CG-CD1 4.13Å; E262-L266 WeakPolarHBondContact O-CB 3.45Å; E262-L266 WeakPolarHBondContact O-CG 3.45Å; E262-L266 PolarHBondContact O-N 3.29Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 3.01Å; L266-V268 VanDerWaalsContact C-N 3.26Å; L266-V268 HydrophobicContact CB-CG2 3.84Å; L266-V268 PolarHBondContact O-N 2.96Å
267D83Confident86.5Confident111 Ų11138.8 Ų38.859%0.59419%0.193SC*.THydrogen-bonded Turntrans53.242-177.3-177.550.6000112.9L228 R235 A263 E264 R265L228-D267 HydrophobicContact CD2-CB 3.92Å; R235-D267 IonicContact NH1-OD2 3.81Å; A263-D267 PolarHBondContact O-N 2.7Å; A263-D267 VanDerWaalsContact O-N 3.1Å; E264-D267 PolarHBondContact O-N 3.12Å; E264-D267 VanDerWaalsContact O-N 3.15Å; R265-D267 VanDerWaalsContact C-N 3.34Å
268V86.1Confident86.5Confident4 Ų434.7 Ų34.72%0.02418%0.176CC..  trans-12125.2177.6-65.90000112L232 R235 V236 F239 A263 L266 A270 M271 G272L232-V268 HydrophobicContact CD1-CG1 4.2Å; R235-V268 HydrophobicContact CB-CG1 4.09Å; V236-V268 HydrophobicContact CG2-CG1 3.89Å; F239-V268 HydrophobicContact CB-CG2 4.1Å; F239-V268 HydrophobicContact CD2-CG2 4.47Å; F239-V268 HydrophobicContact CG-CG2 4.16Å; A263-V268 PolarHBondContact O-N 3.04Å; L266-V268 VanDerWaalsContact C-N 3.26Å; L266-V268 HydrophobicContact CB-CG2 3.84Å; L266-V268 PolarHBondContact O-N 2.96Å; V268-A270 VanDerWaalsContact C-N 3.26Å; V268-A270 PolarHBondContact O-N 2.96Å; V268-A270 VanDerWaalsContact O-N 3.16Å; V268-M271 HydrophobicContact CB-CB 4.48Å; V268-M271 PolarHBondContact O-N 3.05Å; V268-G272 PolarHBondContact O-N 3.01Å
269K86.4Confident86.5Confident73 Ų7330.6 Ų30.632%0.31716%0.157SC..THydrogen-bonded Turntrans-53.2-39.4-175.7-174.4172.8-178.7163.30113.5L260 A263 E264 G272 F299L260-K269 HydrophobicContact CD1-CD 4.5Å; A263-K269 PolarHBondContact O-N 3.37Å; E264-K269 HydrophobicContact CG-CD 4.01Å; E264-K269 IonicContact OE1-NZ 2.91Å; E264-K269 PolarHBondContact OE1-NZ 3.41Å; K269-G272 PolarHBondContact O-N 3.23Å; K269-F299 HydrophobicContact CG-CD1 4.09Å; K269-F299 HydrophobicContact CG-CE1 4.37Å; K269-F299 WeakPolarHBondContact O-CD1 3.34Å
270A85.4Confident86.4Confident21 Ų2130.9 Ų30.917%0.17416%0.159CC..THydrogen-bonded Turntrans-67.8-34.2178.600000112.8V268 G272 P273 K305 A306 Y309V268-A270 VanDerWaalsContact C-N 3.26Å; V268-A270 PolarHBondContact O-N 2.96Å; V268-A270 VanDerWaalsContact O-N 3.16Å; A270-G272 VanDerWaalsContact C-N 3.32Å; A270-P273 WeakPolarHBondContact O-CD 3.5Å; A270-K305 HydrophobicContact CB-CB 4.34Å; A270-K305 HydrophobicContact CB-CD 4.24Å; A270-K305 HydrophobicContact CB-CG 4.04Å; A270-A306 WeakPolarHBondContact O-CA 3.49Å; A270-Y309 HydrophobicContact CB-CD2 3.93Å; A270-Y309 HydrophobicContact CB-CE2 3.85Å; A270-Y309 WeakPolarHBondContact O-CB 3.31Å; A270-Y309 WeakPolarHBondContact O-CD2 3.24Å
271M84.2Confident86.4Confident36 Ų3630.3 Ų30.318%0.17716%0.156CC..THydrogen-bonded Turntrans-80.6-13.2-178.9-61.1-71.5179.200113V268 L274 I275 Y309V268-M271 HydrophobicContact CB-CB 4.48Å; V268-M271 PolarHBondContact O-N 3.05Å; M271-L274 WeakPolarHBondContact O-CB 3.42Å; M271-L274 PolarHBondContact O-N 3.38Å; M271-L274 VanDerWaalsContact O-N 3.08Å; M271-I275 PolarHBondContact O-N 2.81Å; M271-Y309 HydrophobicContact CE-CD1 4.38Å; M271-Y309 HydrophobicContact CE-CE1 3.47Å; M271-Y309 VanDerWaalsContact CE-CE1 3.47Å; M271-Y309 HydrophobicContact CE-CE2 3.81Å; M271-Y309 WeakPolarHBondContact CE-OH 3.38Å; M271-Y309 HydrophobicContact SD-CD1 3.55Å; M271-Y309 VanDerWaalsContact SD-CD1 3.55Å; M271-Y309 HydrophobicContact SD-CD2 4.08Å; M271-Y309 HydrophobicContact SD-CE1 3.23Å; M271-Y309 WeakPolarHBondContact SD-CE1 3.46Å; M271-Y309 HydrophobicContact SD-CE2 3.75Å; M271-Y309 HydrophobicContact SD-CG 4Å
272G86.3Confident86.3Confident0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-48.8-50.6-178.100000114.1V268 K269 A270 L274 I275 L276V268-G272 PolarHBondContact O-N 3.01Å; K269-G272 PolarHBondContact O-N 3.23Å; A270-G272 VanDerWaalsContact C-N 3.32Å; G272-L274 VanDerWaalsContact C-N 3.3Å; G272-L274 PolarHBondContact O-N 3.49Å; G272-I275 PolarHBondContact O-N 3.41Å; G272-L276 WeakPolarHBondContact O-CB 3.43Å; G272-L276 VanDerWaalsContact O-CG 3.28Å; G272-L276 WeakPolarHBondContact O-CG 3.23Å; G272-L276 PolarHBondContact O-N 2.94Å
273P89.4Confident86.1Confident0 Ų033.2 Ų33.20%016%0.162CC..Hα-helixtrans-60.5-33.4179-27.337.1000114.7A270 S277 F296 F299 A306 L310A270-P273 WeakPolarHBondContact O-CD 3.5Å; P273-S277 VanDerWaalsContact O-CB 3.27Å; P273-S277 WeakPolarHBondContact O-CB 3.36Å; P273-S277 PolarHBondContact O-N 3.09Å; P273-S277 PolarHBondContact O-OG 3.36Å; P273-F296 HydrophobicContact CB-CD1 4.18Å; P273-F296 HydrophobicContact CB-CE1 4.32Å; P273-F299 HydrophobicContact CG-CB 3.63Å; P273-F299 HydrophobicContact CG-CG 4.29Å; P273-A306 HydrophobicContact CG-CB 4.05Å; P273-L310 HydrophobicContact CB-CB 3.77Å; P273-L310 HydrophobicContact CB-CD1 4.15Å; P273-L310 HydrophobicContact CB-CG 4.49Å
274L88.8Confident86Confident31 Ų3137.2 Ų37.216%0.16218%0.183CC..Hα-helixtrans-61.8-51176.3175.261.8000110.1M271 G272 L276 S277 E278 Y309 G313 Y358M271-L274 WeakPolarHBondContact O-CB 3.42Å; M271-L274 PolarHBondContact O-N 3.38Å; M271-L274 VanDerWaalsContact O-N 3.08Å; G272-L274 VanDerWaalsContact C-N 3.3Å; G272-L274 PolarHBondContact O-N 3.49Å; L274-L276 PolarHBondContact O-N 3.22Å; L274-S277 PolarHBondContact O-N 2.78Å; L274-S277 PolarHBondContact O-OG 3.39Å; L274-E278 PolarHBondContact O-N 2.76Å; L274-Y309 HydrophobicContact CD2-CD1 4.44Å; L274-G313 VanDerWaalsContact CD1-CA 3.41Å; L274-Y358 HydrophobicContact CD1-CE1 4.37Å; L274-Y358 HydrophobicContact CD2-CE1 4.13Å
275I86.9Confident85.8Confident9 Ų932.6 Ų32.65%0.04616%0.161CC..Hα-helixtrans-67.6-40.4-178.3-65.3157.1000111.2V236 F239 Y240 M271 G272 S277 E278 L279V236-I275 HydrophobicContact CG1-CD1 3.8Å; F239-I275 HydrophobicContact CD1-CB 4.2Å; F239-I275 HydrophobicContact CD1-CD1 3.49Å; F239-I275 VanDerWaalsContact CD1-CD1 3.49Å; F239-I275 HydrophobicContact CD1-CG1 4.43Å; F239-I275 HydrophobicContact CD1-CG2 3.94Å; F239-I275 HydrophobicContact CE1-CB 4.16Å; F239-I275 HydrophobicContact CE1-CD1 4.1Å; F239-I275 HydrophobicContact CE1-CG2 4.05Å; Y240-I275 HydrophobicContact CD2-CG2 3.85Å; Y240-I275 HydrophobicContact CG-CG2 4.45Å; M271-I275 PolarHBondContact O-N 2.81Å; G272-I275 PolarHBondContact O-N 3.41Å; I275-S277 VanDerWaalsContact C-N 3.33Å; I275-S277 PolarHBondContact O-N 2.73Å; I275-E278 PolarHBondContact O-N 3.29Å; I275-L279 HydrophobicContact CG2-CD1 3.9Å; I275-L279 WeakPolarHBondContact O-CB 3.35Å; I275-L279 WeakPolarHBondContact O-CG 3.43Å; I275-L279 PolarHBondContact O-N 2.88Å; I275-L279 VanDerWaalsContact O-N 3.08Å
276L87.8Confident85.8Confident0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-62.8-41175.6-72.1171.2000111.6V243 I259 G272 L274 E278 L279 L280 F296 F299V243-L276 HydrophobicContact CG1-CD2 3.91Å; V243-L276 HydrophobicContact CG2-CD2 4.49Å; I259-L276 HydrophobicContact CG2-CD2 4.24Å; G272-L276 WeakPolarHBondContact O-CB 3.43Å; G272-L276 VanDerWaalsContact O-CG 3.28Å; G272-L276 WeakPolarHBondContact O-CG 3.23Å; G272-L276 PolarHBondContact O-N 2.94Å; L274-L276 PolarHBondContact O-N 3.22Å; L276-E278 PolarHBondContact O-N 3.16Å; L276-L279 PolarHBondContact O-N 3.18Å; L276-L280 HydrophobicContact CB-CD1 4.28Å; L276-L280 HydrophobicContact CD2-CD1 3.87Å; L276-L280 WeakPolarHBondContact O-CB 3.4Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.44Å; L276-F296 HydrophobicContact CB-CE1 3.67Å; L276-F296 HydrophobicContact CB-CE2 4.5Å; L276-F296 HydrophobicContact CB-CZ 3.63Å; L276-F296 HydrophobicContact CD1-CE1 4.5Å; L276-F299 HydrophobicContact CD1-CD2 3.72Å; L276-F299 HydrophobicContact CD1-CE2 3.6Å
277S87.6Confident86Confident0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-63.5-41.5179.3730000112P273 L274 I275 F281 G313P273-S277 VanDerWaalsContact O-CB 3.27Å; P273-S277 WeakPolarHBondContact O-CB 3.36Å; P273-S277 PolarHBondContact O-N 3.09Å; P273-S277 PolarHBondContact O-OG 3.36Å; L274-S277 PolarHBondContact O-N 2.78Å; L274-S277 PolarHBondContact O-OG 3.39Å; I275-S277 VanDerWaalsContact C-N 3.33Å; I275-S277 PolarHBondContact O-N 2.73Å; S277-F281 WeakPolarHBondContact O-CB 3.47Å; S277-F281 PolarHBondContact O-N 3.22Å; S277-G313 WeakPolarHBondContact OG-CA 3.35Å
278E85.3Confident86.3Confident56 Ų5634.2 Ų34.226%0.26217%0.169SC..Hα-helixtrans-67.7-40178.1-169.9-174.6139.800112.3L274 I275 L276 Y404L274-E278 PolarHBondContact O-N 2.76Å; I275-E278 PolarHBondContact O-N 3.29Å; L276-E278 PolarHBondContact O-N 3.16Å; E278-Y404 VanDerWaalsContact OE1-CE1 3.25Å; E278-Y404 WeakPolarHBondContact OE1-CE1 3.24Å
279L85.8Confident86.4Confident11 Ų1134.1 Ų34.16%0.05817%0.168CC..Hα-helixtrans-82.3-33.5-176.6-71.7174.9000113.1Y240 V243 K247 I275 L276Y240-L279 HydrophobicContact CD2-CD1 4.02Å; Y240-L279 HydrophobicContact CD2-CD2 4.49Å; Y240-L279 HydrophobicContact CD2-CG 4.29Å; Y240-L279 HydrophobicContact CE1-CD2 4.26Å; Y240-L279 HydrophobicContact CE2-CD1 4.05Å; Y240-L279 HydrophobicContact CE2-CD2 3.74Å; Y240-L279 HydrophobicContact CE2-CG 3.85Å; Y240-L279 HydrophobicContact CG-CD1 4.43Å; V243-L279 HydrophobicContact CB-CD1 3.65Å; V243-L279 HydrophobicContact CG1-CB 4.38Å; V243-L279 HydrophobicContact CG1-CD1 3.45Å; V243-L279 VanDerWaalsContact CG1-CD1 3.45Å; K247-L279 WeakPolarHBondContact CE-O 3.16Å; K247-L279 PolarHBondContact NZ-O 3.21Å; I275-L279 HydrophobicContact CG2-CD1 3.9Å; I275-L279 WeakPolarHBondContact O-CB 3.35Å; I275-L279 WeakPolarHBondContact O-CG 3.43Å; I275-L279 PolarHBondContact O-N 2.88Å; I275-L279 VanDerWaalsContact O-N 3.08Å; L276-L279 PolarHBondContact O-N 3.18Å
280L85.4Confident86.5Confident7 Ų737.2 Ų37.24%0.03718%0.181CC..Hα-helixtrans-98.7-31.4-173.1-63.2178.6000113.4I252 L276 Q288 Y292 F296I252-L280 HydrophobicContact CD1-CD2 3.53Å; I252-L280 HydrophobicContact CG1-CD2 4.15Å; L276-L280 HydrophobicContact CB-CD1 4.28Å; L276-L280 HydrophobicContact CD2-CD1 3.87Å; L276-L280 WeakPolarHBondContact O-CB 3.4Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.44Å; L280-Q288 VanDerWaalsContact O-CD 3.3Å; L280-Q288 PolarHBondContact O-NE2 2.77Å; L280-Q288 PolarHBondContact O-OE1 3.14Å; L280-Y292 HydrophobicContact CB-CD2 4Å; L280-Y292 HydrophobicContact CB-CE2 4.06Å; L280-Y292 HydrophobicContact CD1-CD1 4.08Å; L280-Y292 HydrophobicContact CD1-CD2 4.1Å; L280-Y292 HydrophobicContact CD1-CG 3.87Å; L280-Y292 HydrophobicContact CD2-CD2 4.49Å; L280-Y292 HydrophobicContact CD2-CE1 4.21Å; L280-Y292 HydrophobicContact CD2-CE2 4.09Å; L280-Y292 HydrophobicContact CG-CD2 4.44Å; L280-Y292 HydrophobicContact CG-CE2 4.47Å; L280-F296 HydrophobicContact CD1-CE2 4.33Å
281F87.3Confident86.7Confident15 Ų1541.5 Ų41.57%0.06620%0.196CC..  trans-90.6146.1-176.1-57.9-34.9000113.1S277 I285 Q288 I289 F296 L310 V317S277-F281 WeakPolarHBondContact O-CB 3.47Å; S277-F281 PolarHBondContact O-N 3.22Å; F281-I285 HydrophobicContact CB-CD1 4.05Å; F281-I285 HydrophobicContact CB-CG1 4.01Å; F281-I285 HydrophobicContact CD1-CG1 3.97Å; F281-I285 HydrophobicContact CD2-CD1 3.71Å; F281-I285 HydrophobicContact CD2-CG1 3.97Å; F281-I285 HydrophobicContact CE1-CG1 4.4Å; F281-I285 HydrophobicContact CE2-CD1 4.26Å; F281-I285 HydrophobicContact CE2-CG1 4.41Å; F281-I285 HydrophobicContact CG-CD1 3.9Å; F281-I285 HydrophobicContact CG-CG1 3.75Å; F281-Q288 VanDerWaalsContact CA-OE1 3.27Å; F281-Q288 HydrophobicContact CD1-CB 3.71Å; F281-Q288 HydrophobicContact CE1-CB 3.99Å; F281-I289 HydrophobicContact CE1-CG1 3.98Å; F281-I289 HydrophobicContact CZ-CG1 3.83Å; F281-F296 HydrophobicContact CD2-CZ 4.45Å; F281-F296 AromaticContact CE1-CE2 3.71Å; F281-F296 HydrophobicContact CE1-CE2 3.71Å; F281-F296 HydrophobicContact CE1-CZ 4.05Å; F281-F296 HydrophobicContact CE2-CE1 4.19Å; F281-F296 HydrophobicContact CE2-CE2 4.02Å; F281-F296 AromaticContact CE2-CZ 3.58Å; F281-F296 HydrophobicContact CE2-CZ 3.58Å; F281-F296 HydrophobicContact CZ-CD2 4.06Å; F281-F296 HydrophobicContact CZ-CE1 4.2Å; F281-F296 AromaticContact CZ-CE2 3.27Å; F281-F296 HydrophobicContact CZ-CE2 3.27Å; F281-F296 AromaticContact CZ-CZ 3.35Å; F281-F296 HydrophobicContact CZ-CZ 3.35Å; F281-L310 HydrophobicContact CE2-CD1 4.46Å; F281-V317 HydrophobicContact CB-CG1 4.12Å; F281-V317 HydrophobicContact CB-CG2 4.05Å
282N85.5Confident86.9Confident59 Ų5941 Ų4132%0.31619%0.193SC..SBendtrans-144.6-154.7172.265.217.1000109.7N284 I285 Q288N282-N284 PolarHBondContact O-N 3.15Å; N282-N284 VanDerWaalsContact O-N 3.12Å; N282-N284 PolarHBondContact OD1-N 2.91Å; N282-I285 PolarHBondContact O-N 2.82Å; N282-Q288 PolarHBondContact ND2-NE2 3.36Å; N282-Q288 VanDerWaalsContact OD1-CD 3.28Å; N282-Q288 PolarHBondContact OD1-NE2 3.07Å; N282-Q288 PolarHBondContact OD1-OE1 3.07Å; N282-Q288 VanDerWaalsContact OD1-OE1 3.1Å
283E81.7Confident86.9Confident85 Ų8544.1 Ų44.140%0.39721%0.206SC..THydrogen-bonded Turntrans-52.9-27.3174.557.4-177-165.300115.3Q324E283-Q324 PolarHBondContact OE2-NE2 3.44Å; E283-Q324 PolarHBondContact OE2-OE1 3.17Å
284N84.9Confident86.9Confident84 Ų8450 Ų5045%0.44923%0.228SC..THydrogen-bonded Turntrans-10137.7-179.9-63.9-39.8000112.5N282 R286 D287 Q288N282-N284 PolarHBondContact O-N 3.15Å; N282-N284 VanDerWaalsContact O-N 3.12Å; N282-N284 PolarHBondContact OD1-N 2.91Å; N284-R286 PolarHBondContact O-N 2.85Å; N284-D287 PolarHBondContact O-N 3.1Å; N284-Q288 WeakPolarHBondContact O-CG 3.4Å; N284-Q288 PolarHBondContact O-N 3.49Å; N284-Q288 PolarHBondContact O-OE1 3.08Å
285I85.7Confident86.8Confident2 Ų248.6 Ų48.61%0.0122%0.221CC..Hα-helixtrans-50-34.8-178-169.9165.2000113.7F281 N282 D287 Q288 I289 F314 V317 L325 I332F281-I285 HydrophobicContact CB-CD1 4.05Å; F281-I285 HydrophobicContact CB-CG1 4.01Å; F281-I285 HydrophobicContact CD1-CG1 3.97Å; F281-I285 HydrophobicContact CD2-CD1 3.71Å; F281-I285 HydrophobicContact CD2-CG1 3.97Å; F281-I285 HydrophobicContact CE1-CG1 4.4Å; F281-I285 HydrophobicContact CE2-CD1 4.26Å; F281-I285 HydrophobicContact CE2-CG1 4.41Å; F281-I285 HydrophobicContact CG-CD1 3.9Å; F281-I285 HydrophobicContact CG-CG1 3.75Å; N282-I285 PolarHBondContact O-N 2.82Å; I285-D287 PolarHBondContact O-N 3.3Å; I285-Q288 PolarHBondContact O-N 2.87Å; I285-I289 HydrophobicContact CD1-CD1 4.5Å; I285-I289 HydrophobicContact CG1-CD1 3.82Å; I285-I289 HydrophobicContact CG1-CG1 4.06Å; I285-I289 VanDerWaalsContact O-CG1 3.23Å; I285-I289 WeakPolarHBondContact O-CG1 3.44Å; I285-I289 PolarHBondContact O-N 3.35Å; I285-F314 HydrophobicContact CD1-CD2 4.16Å; I285-V317 HydrophobicContact CD1-CG1 4.25Å; I285-L325 HydrophobicContact CG2-CD2 3.81Å; I285-I332 HydrophobicContact CD1-CG2 4.14Å; I285-I332 HydrophobicContact CG1-CG2 4.43Å; I285-I332 HydrophobicContact CG2-CD1 3.59Å; I285-I332 HydrophobicContact CG2-CG1 3.84Å; I285-I332 HydrophobicContact CG2-CG2 4.18Å
286R85.9Confident87Confident89 Ų8948.2 Ų48.234%0.33622%0.219SC..Hα-helixtrans-62.6-43.8-177.4-60.4-171.768.3-152.9-2.1113.5N284 Q288 I332 D335N284-R286 PolarHBondContact O-N 2.85Å; R286-Q288 VanDerWaalsContact C-N 3.33Å; R286-I332 HydrophobicContact CG-CG1 4.12Å; R286-D335 IonicContact CZ-OD2 2.91Å; R286-D335 VanDerWaalsContact CZ-OD2 3.29Å; R286-D335 IonicContact NE-OD2 3.12Å; R286-D335 PolarHBondContact NE-OD2 3.21Å; R286-D335 IonicContact NH2-OD1 3.31Å; R286-D335 PolarHBondContact NH2-OD1 3.04Å; R286-D335 IonicContact NH2-OD2 2.81Å; R286-D335 PolarHBondContact NH2-OD2 3.28Å
287D87.8Confident87Confident108 Ų10851 Ų5158%0.57823%0.233SC*.Hα-helixtrans-75.3-31.2178.1-64.5-37.9000110.7N284 I285 K290 K291N284-D287 PolarHBondContact O-N 3.1Å; I285-D287 PolarHBondContact O-N 3.3Å; D287-K290 PolarHBondContact O-N 3.01Å; D287-K291 WeakPolarHBondContact O-CB 3.38Å; D287-K291 PolarHBondContact O-N 2.96Å
288Q88.4Confident87Confident29 Ų2955 Ų5514%0.13625%0.248CC..Hα-helixtrans-72-35.6178.3-66.8168.1-32.100112.7L280 F281 N282 N284 I285 R286 K290 K291 Y292L280-Q288 VanDerWaalsContact O-CD 3.3Å; L280-Q288 PolarHBondContact O-NE2 2.77Å; L280-Q288 PolarHBondContact O-OE1 3.14Å; F281-Q288 VanDerWaalsContact CA-OE1 3.27Å; F281-Q288 HydrophobicContact CD1-CB 3.71Å; F281-Q288 HydrophobicContact CE1-CB 3.99Å; N282-Q288 PolarHBondContact ND2-NE2 3.36Å; N282-Q288 VanDerWaalsContact OD1-CD 3.28Å; N282-Q288 PolarHBondContact OD1-NE2 3.07Å; N282-Q288 PolarHBondContact OD1-OE1 3.07Å; N282-Q288 VanDerWaalsContact OD1-OE1 3.1Å; N284-Q288 WeakPolarHBondContact O-CG 3.4Å; N284-Q288 PolarHBondContact O-N 3.49Å; N284-Q288 PolarHBondContact O-OE1 3.08Å; I285-Q288 PolarHBondContact O-N 2.87Å; R286-Q288 VanDerWaalsContact C-N 3.33Å; Q288-K290 VanDerWaalsContact C-N 3.27Å; Q288-K290 PolarHBondContact O-N 3.17Å; Q288-K291 PolarHBondContact O-N 3.26Å; Q288-Y292 HydrophobicContact CB-CD2 4.11Å; Q288-Y292 HydrophobicContact CB-CE2 4.31Å; Q288-Y292 HydrophobicContact CG-CE2 4.42Å; Q288-Y292 WeakPolarHBondContact O-CB 3.16Å; Q288-Y292 VanDerWaalsContact O-CD2 3.28Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.4Å; Q288-Y292 PolarHBondContact O-N 3.45Å
289I88.4Confident87.1Confident2 Ų252.5 Ų52.51%0.0124%0.237CC..Hα-helixtrans-57.9-45.2171.8-72.4162000109.5F281 I285 K293 I332 L336 A339 L341F281-I289 HydrophobicContact CE1-CG1 3.98Å; F281-I289 HydrophobicContact CZ-CG1 3.83Å; I285-I289 HydrophobicContact CD1-CD1 4.5Å; I285-I289 HydrophobicContact CG1-CD1 3.82Å; I285-I289 HydrophobicContact CG1-CG1 4.06Å; I285-I289 VanDerWaalsContact O-CG1 3.23Å; I285-I289 WeakPolarHBondContact O-CG1 3.44Å; I285-I289 PolarHBondContact O-N 3.35Å; I289-K293 WeakPolarHBondContact O-CA 3.47Å; I289-K293 WeakPolarHBondContact O-CB 3.43Å; I289-K293 PolarHBondContact O-N 2.67Å; I289-I332 HydrophobicContact CD1-CG2 3.83Å; I289-L336 HydrophobicContact CD1-CD2 3.59Å; I289-L336 HydrophobicContact CD1-CG 3.82Å; I289-L336 HydrophobicContact CG1-CD2 3.76Å; I289-L336 HydrophobicContact CG2-CD2 4.07Å; I289-A339 HydrophobicContact CG2-CB 4.14Å; I289-L341 HydrophobicContact CG2-CD1 4.23Å
290K88.8Confident87.1Confident137 Ų13752 Ų5260%0.59623%0.234SC*.Hα-helixtrans-65.5-42.8177.5-64.2175.4-175.6174.70111.9D287 Q288D287-K290 PolarHBondContact O-N 3.01Å; Q288-K290 VanDerWaalsContact C-N 3.27Å; Q288-K290 PolarHBondContact O-N 3.17Å
291K88.8Confident87.1Confident112 Ų11257.6 Ų57.649%0.48726%0.26SS..Hα-helixtrans-65.7-44.9-179.6-168-177.8-176.2-147.90112.5D253 D287 Q288D253-K291 VanDerWaalsContact CG-NZ 3.26Å; D253-K291 WeakPolarHBondContact OD1-CE 3.42Å; D253-K291 IonicContact OD1-NZ 3.34Å; D253-K291 PolarHBondContact OD1-NZ 3.41Å; D253-K291 VanDerWaalsContact OD2-CE 3.28Å; D253-K291 WeakPolarHBondContact OD2-CE 3.42Å; D253-K291 IonicContact OD2-NZ 3.88Å; D253-K291 PolarHBondContact OD2-NZ 2.75Å; D287-K291 WeakPolarHBondContact O-CB 3.38Å; D287-K291 PolarHBondContact O-N 2.96Å; Q288-K291 PolarHBondContact O-N 3.26Å
292Y87.8Confident86.7Confident26 Ų2663 Ų6310%0.10229%0.29CS..Hα-helixtrans-100.611.4-174.7-57.9-61.9000113.5I252 D253 L280 Q288 R294 H295 F296I252-Y292 HydrophobicContact CG2-CE1 3.97Å; D253-Y292 VanDerWaalsContact OD1-CE1 3.32Å; D253-Y292 WeakPolarHBondContact OD1-CE1 3.43Å; L280-Y292 HydrophobicContact CB-CD2 4Å; L280-Y292 HydrophobicContact CB-CE2 4.06Å; L280-Y292 HydrophobicContact CD1-CD1 4.08Å; L280-Y292 HydrophobicContact CD1-CD2 4.1Å; L280-Y292 HydrophobicContact CD1-CG 3.87Å; L280-Y292 HydrophobicContact CD2-CD2 4.49Å; L280-Y292 HydrophobicContact CD2-CE1 4.21Å; L280-Y292 HydrophobicContact CD2-CE2 4.09Å; L280-Y292 HydrophobicContact CG-CD2 4.44Å; L280-Y292 HydrophobicContact CG-CE2 4.47Å; Q288-Y292 HydrophobicContact CB-CD2 4.11Å; Q288-Y292 HydrophobicContact CB-CE2 4.31Å; Q288-Y292 HydrophobicContact CG-CE2 4.42Å; Q288-Y292 WeakPolarHBondContact O-CB 3.16Å; Q288-Y292 VanDerWaalsContact O-CD2 3.28Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.4Å; Q288-Y292 PolarHBondContact O-N 3.45Å; Y292-R294 PolarHBondContact O-N 2.83Å; Y292-R294 VanDerWaalsContact O-N 3.1Å; Y292-H295 AromaticContact CD1-ND1 3.94Å; Y292-H295 WeakPolarHBondContact O-CB 3.41Å; Y292-H295 PolarHBondContact O-N 2.74Å; Y292-F296 WeakPolarHBondContact O-CD2 3.08Å; Y292-F296 PolarHBondContact O-N 3.48Å
293K87.3Confident86.7Confident64 Ų6462.1 Ų62.128%0.27829%0.285SS..Hα-helixtrans-47.4-44177.6174.6171.4172.41560111.3I289 H295 F296 L297 A339 D340I289-K293 WeakPolarHBondContact O-CA 3.47Å; I289-K293 WeakPolarHBondContact O-CB 3.43Å; I289-K293 PolarHBondContact O-N 2.67Å; K293-H295 VanDerWaalsContact C-N 3.3Å; K293-H295 PolarHBondContact O-N 3.12Å; K293-F296 PolarHBondContact O-N 2.75Å; K293-L297 VanDerWaalsContact O-CB 3.22Å; K293-L297 WeakPolarHBondContact O-CB 3.38Å; K293-L297 PolarHBondContact O-N 3.47Å; K293-A339 HydrophobicContact CD-CB 4.05Å; K293-A339 WeakPolarHBondContact CE-O 3.47Å; K293-A339 HydrophobicContact CG-CB 4.45Å; K293-A339 PolarHBondContact NZ-O 3.41Å; K293-D340 IonicContact NZ-OD2 2.67Å; K293-D340 PolarHBondContact NZ-OD2 3.06Å
294R88.3Confident87Confident123 Ų12363.3 Ų63.346%0.46429%0.289SS..Hα-helixtrans-61.7-36.5-178.7-161.5172.489.1-123.8-1.4112.8D253 D256 Y292 R298D253-R294 PolarHBondContact O-NH2 3.27Å; D256-R294 VanDerWaalsContact CG-NE 3.26Å; D256-R294 IonicContact OD1-CZ 3.29Å; D256-R294 IonicContact OD1-NE 2.82Å; D256-R294 IonicContact OD1-NH2 2.88Å; D256-R294 PolarHBondContact OD1-NH2 3.28Å; D256-R294 IonicContact OD2-CZ 2.99Å; D256-R294 IonicContact OD2-NE 2.7Å; D256-R294 PolarHBondContact OD2-NE 2.87Å; D256-R294 IonicContact OD2-NH2 2.94Å; D256-R294 PolarHBondContact OD2-NH2 2.84Å; Y292-R294 PolarHBondContact O-N 2.83Å; Y292-R294 VanDerWaalsContact O-N 3.1Å; R294-R298 WeakPolarHBondContact O-CG 3.36Å; R294-R298 PolarHBondContact O-N 3.07Å
295H88.2Confident87.1Confident3 Ų364 Ų641%0.01429%0.288CS..Hα-helixtrans-68.5-51178.4-60.271.1000110.8I252 Y292 K293 R298 F299I252-H295 PolarHBondContact O-CE1 2.89Å; I252-H295 PolarHBondContact O-NE2 3.35Å; Y292-H295 AromaticContact CD1-ND1 3.94Å; Y292-H295 WeakPolarHBondContact O-CB 3.41Å; Y292-H295 PolarHBondContact O-N 2.74Å; K293-H295 VanDerWaalsContact C-N 3.3Å; K293-H295 PolarHBondContact O-N 3.12Å; H295-R298 PolarHBondContact O-N 3.41Å; H295-F299 VanDerWaalsContact O-CD2 3.22Å; H295-F299 WeakPolarHBondContact O-CD2 3.16Å
296F89.4Confident87.2Confident0 Ų063.9 Ų63.90%029%0.287CS..Hα-helixtrans-66.6-39.7-179.8-72.5-81.9000112.3P273 L276 L280 F281 Y292 K293 R298 F299 C300 L310 L341P273-F296 HydrophobicContact CB-CD1 4.18Å; P273-F296 HydrophobicContact CB-CE1 4.32Å; L276-F296 HydrophobicContact CB-CE1 3.67Å; L276-F296 HydrophobicContact CB-CE2 4.5Å; L276-F296 HydrophobicContact CB-CZ 3.63Å; L276-F296 HydrophobicContact CD1-CE1 4.5Å; L280-F296 HydrophobicContact CD1-CE2 4.33Å; F281-F296 HydrophobicContact CD2-CZ 4.45Å; F281-F296 AromaticContact CE1-CE2 3.71Å; F281-F296 HydrophobicContact CE1-CE2 3.71Å; F281-F296 HydrophobicContact CE1-CZ 4.05Å; F281-F296 HydrophobicContact CE2-CE1 4.19Å; F281-F296 HydrophobicContact CE2-CE2 4.02Å; F281-F296 AromaticContact CE2-CZ 3.58Å; F281-F296 HydrophobicContact CE2-CZ 3.58Å; F281-F296 HydrophobicContact CZ-CD2 4.06Å; F281-F296 HydrophobicContact CZ-CE1 4.2Å; F281-F296 AromaticContact CZ-CE2 3.27Å; F281-F296 HydrophobicContact CZ-CE2 3.27Å; F281-F296 AromaticContact CZ-CZ 3.35Å; F281-F296 HydrophobicContact CZ-CZ 3.35Å; Y292-F296 WeakPolarHBondContact O-CD2 3.08Å; Y292-F296 PolarHBondContact O-N 3.48Å; K293-F296 PolarHBondContact O-N 2.75Å; F296-R298 PolarHBondContact O-N 3.46Å; F296-F299 PolarHBondContact O-N 3.47Å; F296-C300 WeakPolarHBondContact O-CB 3.35Å; F296-C300 PolarHBondContact O-N 2.95Å; F296-C300 PolarHBondContact O-SG 3.24Å; F296-L310 HydrophobicContact CD1-CD1 3.69Å; F296-L310 HydrophobicContact CD1-CD2 4.45Å; F296-L310 HydrophobicContact CE1-CD1 3.57Å; F296-L341 HydrophobicContact CB-CD1 3.88Å; F296-L341 HydrophobicContact CB-CD2 3.6Å; F296-L341 HydrophobicContact CB-CG 4.35Å; F296-L341 HydrophobicContact CG-CD1 4.43Å
297L89.4Confident87.4Confident58 Ų5859.8 Ų59.830%0.30427%0.272SS..Hα-helixtrans-60-33.8-179.7-168.868.1000112.3K293 F299 H301 D340 L341K293-L297 VanDerWaalsContact O-CB 3.22Å; K293-L297 WeakPolarHBondContact O-CB 3.38Å; K293-L297 PolarHBondContact O-N 3.47Å; L297-F299 PolarHBondContact O-N 2.78Å; L297-H301 WeakPolarHBondContact O-CB 3.2Å; L297-H301 PolarHBondContact O-N 2.8Å; L297-H301 VanDerWaalsContact O-N 3.08Å; L297-D340 HydrophobicContact CD1-CB 4.25Å; L297-D340 WeakPolarHBondContact CD1-O 3.26Å; L297-L341 HydrophobicContact CB-CD2 4.15Å; L297-L341 HydrophobicContact CD1-CD2 4.36Å
298R86.9Confident87.5Confident85 Ų8560.6 Ų60.632%0.32127%0.27SS..Hα-helixtrans-63.5-27.2175-76-173.7-175.4-81.5-4.7113.9D256 L260 R294 H295 F296D256-R298 VanDerWaalsContact CG-NE 3.32Å; D256-R298 WeakPolarHBondContact O-CD 3.42Å; D256-R298 IonicContact OD2-CZ 2.81Å; D256-R298 IonicContact OD2-NE 3.53Å; D256-R298 PolarHBondContact OD2-NE 3.02Å; D256-R298 IonicContact OD2-NH2 3.5Å; D256-R298 PolarHBondContact OD2-NH2 3.02Å; L260-R298 HydrophobicContact CD2-CB 4.33Å; R294-R298 WeakPolarHBondContact O-CG 3.36Å; R294-R298 PolarHBondContact O-N 3.07Å; H295-R298 PolarHBondContact O-N 3.41Å; F296-R298 PolarHBondContact O-N 3.46Å
299F87.1Confident87.6Confident3 Ų360.2 Ų60.21%0.01327%0.268CS..Hα-helixtrans-93.8-41179.2-71-75.5000112.3F239 I259 L260 A263 K269 P273 L276 H295 F296 L297 A306F239-F299 HydrophobicContact CZ-CZ 4.48Å; I259-F299 HydrophobicContact CG2-CE2 4.02Å; I259-F299 HydrophobicContact CG2-CZ 3.93Å; L260-F299 HydrophobicContact CB-CZ 4.33Å; L260-F299 HydrophobicContact CD1-CD1 3.96Å; L260-F299 HydrophobicContact CD1-CE1 3.63Å; L260-F299 HydrophobicContact CD1-CZ 3.98Å; A263-F299 HydrophobicContact CB-CE1 3.58Å; A263-F299 HydrophobicContact CB-CZ 3.97Å; K269-F299 HydrophobicContact CG-CD1 4.09Å; K269-F299 HydrophobicContact CG-CE1 4.37Å; K269-F299 WeakPolarHBondContact O-CD1 3.34Å; P273-F299 HydrophobicContact CG-CB 3.63Å; P273-F299 HydrophobicContact CG-CG 4.29Å; L276-F299 HydrophobicContact CD1-CD2 3.72Å; L276-F299 HydrophobicContact CD1-CE2 3.6Å; H295-F299 VanDerWaalsContact O-CD2 3.22Å; H295-F299 WeakPolarHBondContact O-CD2 3.16Å; F296-F299 PolarHBondContact O-N 3.47Å; L297-F299 PolarHBondContact O-N 2.78Å; F299-A306 WeakPolarHBondContact O-CB 3.37Å
300C86.1Confident87.7Confident1 Ų160.1 Ų60.11%0.00727%0.267CS..Hα-helixtrans-84.2-20.4-171.6-64.80000113.6F296 N302 N303 Q307 L341F296-C300 WeakPolarHBondContact O-CB 3.35Å; F296-C300 PolarHBondContact O-N 2.95Å; F296-C300 PolarHBondContact O-SG 3.24Å; C300-N302 PolarHBondContact O-N 3.48Å; C300-N303 PolarHBondContact O-N 3.27Å; C300-Q307 HydrophobicContact CB-CG 3.94Å; C300-Q307 PolarHBondContact O-NE2 2.9Å; C300-L341 WeakPolarHBondContact CB-O 3.3Å
301H84.7Confident87.7Confident124 Ų12453.7 Ų53.757%0.57424%0.239SC*.THydrogen-bonded Turntrans-63.6120.6-179.2-173.561.6000111.9L297 N303L297-H301 WeakPolarHBondContact O-CB 3.2Å; L297-H301 PolarHBondContact O-N 2.8Å; L297-H301 VanDerWaalsContact O-N 3.08Å; H301-N303 PolarHBondContact O-N 3.14Å
302N79.2Confident87.6Confident129 Ų12948.5 Ų48.569%0.6922%0.218SC*.THydrogen-bonded Turntrans56.623.7-177.5-56.2-25.3000114.6C300C300-N302 PolarHBondContact O-N 3.48Å
303N86.2Confident87.5Confident41 Ų4147.3 Ų47.322%0.21921%0.213CC..  trans-131.591.5-178.4-170.1-18.9000112.1C300 H301 K305 A306 Q307C300-N303 PolarHBondContact O-N 3.27Å; H301-N303 PolarHBondContact O-N 3.14Å; N303-K305 VanDerWaalsContact C-N 3.25Å; N303-K305 PolarHBondContact O-N 3.39Å; N303-K305 WeakPolarHBondContact OD1-CB 3.17Å; N303-K305 PolarHBondContact OD1-N 2.73Å; N303-K305 VanDerWaalsContact OD1-N 3.12Å; N303-A306 HydrophobicContact CB-CB 3.98Å; N303-A306 PolarHBondContact O-N 3.03Å; N303-A306 PolarHBondContact OD1-N 3.39Å; N303-Q307 WeakPolarHBondContact O-CG 3.4Å; N303-Q307 PolarHBondContact O-N 3.03Å; N303-Q307 VanDerWaalsContact O-N 3.15Å
304K87.9Confident87.6Confident109 Ų10944.4 Ų44.447%0.47420%0.2SC..Hα-helixtrans-60.3-32.3178.3-57.6-172.9-176.8-167.40112.9Q307 K308 D345 V346K304-Q307 PolarHBondContact O-N 2.88Å; K304-K308 WeakPolarHBondContact O-CG 3.48Å; K304-K308 PolarHBondContact O-N 3.34Å; K304-D345 WeakPolarHBondContact CD-OD2 3.3Å; K304-D345 WeakPolarHBondContact CE-OD2 3.23Å; K304-D345 IonicContact NZ-OD2 2.73Å; K304-D345 PolarHBondContact NZ-OD2 3.49Å; K304-V346 HydrophobicContact CB-CG2 4.02Å; K304-V346 HydrophobicContact CG-CG2 4.14Å
305K87.6Confident87.5Confident99 Ų9938.6 Ų38.643%0.4318%0.179SC..Hα-helixtrans-66.6-43.6178.3-162.2170.6-175.1163.40110.6A270 N303 K308 Y309 D397A270-K305 HydrophobicContact CB-CB 4.34Å; A270-K305 HydrophobicContact CB-CD 4.24Å; A270-K305 HydrophobicContact CB-CG 4.04Å; N303-K305 VanDerWaalsContact C-N 3.25Å; N303-K305 PolarHBondContact O-N 3.39Å; N303-K305 WeakPolarHBondContact OD1-CB 3.17Å; N303-K305 PolarHBondContact OD1-N 2.73Å; N303-K305 VanDerWaalsContact OD1-N 3.12Å; K305-K308 PolarHBondContact O-N 3.01Å; K305-Y309 HydrophobicContact CG-CD2 4.34Å; K305-Y309 HydrophobicContact CG-CE2 3.8Å; K305-Y309 WeakPolarHBondContact O-CD2 3.38Å; K305-Y309 PolarHBondContact O-N 2.82Å; K305-Y309 VanDerWaalsContact O-N 3.16Å; K305-D397 IonicContact NZ-OD2 3.72Å; K305-D397 PolarHBondContact NZ-OD2 3.3Å
306A87.8Confident87.4Confident0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-64.9-37.9175.800000112.9A270 P273 F299 N303 Y309 L310A270-A306 WeakPolarHBondContact O-CA 3.49Å; P273-A306 HydrophobicContact CG-CB 4.05Å; F299-A306 WeakPolarHBondContact O-CB 3.37Å; N303-A306 HydrophobicContact CB-CB 3.98Å; N303-A306 PolarHBondContact O-N 3.03Å; N303-A306 PolarHBondContact OD1-N 3.39Å; A306-Y309 PolarHBondContact O-N 2.79Å; A306-L310 PolarHBondContact O-N 3.08Å
307Q89.8Confident87.3Confident3 Ų340 Ų401%0.01419%0.188CC..Hα-helixtrans-64.9-39.7175.2-65178.123.200112.2C300 N303 K304 Y309 L310 L311 L341 L342 E343 V346C300-Q307 HydrophobicContact CB-CG 3.94Å; C300-Q307 PolarHBondContact O-NE2 2.9Å; N303-Q307 WeakPolarHBondContact O-CG 3.4Å; N303-Q307 PolarHBondContact O-N 3.03Å; N303-Q307 VanDerWaalsContact O-N 3.15Å; K304-Q307 PolarHBondContact O-N 2.88Å; Q307-Y309 VanDerWaalsContact C-N 3.34Å; Q307-Y309 PolarHBondContact O-N 2.77Å; Q307-L310 WeakPolarHBondContact O-CB 3.35Å; Q307-L310 PolarHBondContact O-N 3.41Å; Q307-L311 PolarHBondContact O-N 2.81Å; Q307-L341 WeakPolarHBondContact CG-O 3.39Å; Q307-L342 HydrophobicContact CB-CD2 3.98Å; Q307-E343 PolarHBondContact NE2-OE1 3.04Å; Q307-V346 HydrophobicContact CB-CB 4.48Å; Q307-V346 HydrophobicContact CB-CG1 3.94Å; Q307-V346 HydrophobicContact CB-CG2 4.29Å
308K89.4Confident87.1Confident125 Ų12537.2 Ų37.254%0.54317%0.173SC..Hα-helixtrans-60.6-41.4172.1-71.2174.7-177.71790112K304 K305 L310 L311 G312 V346K304-K308 WeakPolarHBondContact O-CG 3.48Å; K304-K308 PolarHBondContact O-N 3.34Å; K305-K308 PolarHBondContact O-N 3.01Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L311 PolarHBondContact O-N 3.12Å; K308-G312 PolarHBondContact O-N 2.92Å; K308-V346 HydrophobicContact CG-CG1 3.91Å
309Y89.8Confident87.1Confident20 Ų2037 Ų378%0.07818%0.175CC..Hα-helixtrans-68.2-31.8175-73.7-60.2000113.1A270 M271 L274 K305 A306 Q307 G312 G313 Y358A270-Y309 HydrophobicContact CB-CD2 3.93Å; A270-Y309 HydrophobicContact CB-CE2 3.85Å; A270-Y309 WeakPolarHBondContact O-CB 3.31Å; A270-Y309 WeakPolarHBondContact O-CD2 3.24Å; M271-Y309 HydrophobicContact CE-CD1 4.38Å; M271-Y309 HydrophobicContact CE-CE1 3.47Å; M271-Y309 VanDerWaalsContact CE-CE1 3.47Å; M271-Y309 HydrophobicContact CE-CE2 3.81Å; M271-Y309 WeakPolarHBondContact CE-OH 3.38Å; M271-Y309 HydrophobicContact SD-CD1 3.55Å; M271-Y309 VanDerWaalsContact SD-CD1 3.55Å; M271-Y309 HydrophobicContact SD-CD2 4.08Å; M271-Y309 HydrophobicContact SD-CE1 3.23Å; M271-Y309 WeakPolarHBondContact SD-CE1 3.46Å; M271-Y309 HydrophobicContact SD-CE2 3.75Å; M271-Y309 HydrophobicContact SD-CG 4Å; L274-Y309 HydrophobicContact CD2-CD1 4.44Å; K305-Y309 HydrophobicContact CG-CD2 4.34Å; K305-Y309 HydrophobicContact CG-CE2 3.8Å; K305-Y309 WeakPolarHBondContact O-CD2 3.38Å; K305-Y309 PolarHBondContact O-N 2.82Å; K305-Y309 VanDerWaalsContact O-N 3.16Å; A306-Y309 PolarHBondContact O-N 2.79Å; Q307-Y309 VanDerWaalsContact C-N 3.34Å; Q307-Y309 PolarHBondContact O-N 2.77Å; Y309-G312 PolarHBondContact O-N 2.82Å; Y309-G313 PolarHBondContact O-N 3.49Å; Y309-Y358 WeakPolarHBondContact CD1-OH 3.26Å; Y309-Y358 WeakPolarHBondContact CE1-OH 3.48Å
310L90.4Very high86.9Confident1 Ų141.6 Ų41.61%0.00520%0.199CC..Hα-helixtrans-63.3-41.8171.7-179.958.5000111.6P273 F281 F296 A306 Q307 K308 G313 F314 L341 L342P273-L310 HydrophobicContact CB-CB 3.77Å; P273-L310 HydrophobicContact CB-CD1 4.15Å; P273-L310 HydrophobicContact CB-CG 4.49Å; F281-L310 HydrophobicContact CE2-CD1 4.46Å; F296-L310 HydrophobicContact CD1-CD1 3.69Å; F296-L310 HydrophobicContact CD1-CD2 4.45Å; F296-L310 HydrophobicContact CE1-CD1 3.57Å; A306-L310 PolarHBondContact O-N 3.08Å; Q307-L310 WeakPolarHBondContact O-CB 3.35Å; Q307-L310 PolarHBondContact O-N 3.41Å; K308-L310 VanDerWaalsContact C-N 3.34Å; L310-G313 PolarHBondContact O-N 3.32Å; L310-F314 PolarHBondContact O-N 2.86Å; L310-L341 HydrophobicContact CD2-CB 3.99Å; L310-L342 HydrophobicContact CD2-CD2 4.1Å; L310-L342 HydrophobicContact CD2-CG 4.43Å
311L89.4Confident86.8Confident2 Ų244.3 Ų44.31%0.0121%0.212CC..Hα-helixtrans-64.5-42.5175.1-74.6169.6000112.1Q307 K308 G313 F314 E315 L333 L342 V346 W350Q307-L311 PolarHBondContact O-N 2.81Å; K308-L311 PolarHBondContact O-N 3.12Å; L311-G313 VanDerWaalsContact C-N 3.28Å; L311-G313 PolarHBondContact O-N 3.19Å; L311-F314 WeakPolarHBondContact O-CB 3.45Å; L311-F314 PolarHBondContact O-N 3.03Å; L311-E315 WeakPolarHBondContact O-CG 3.44Å; L311-E315 PolarHBondContact O-N 3.44Å; L311-L333 HydrophobicContact CD2-CD2 3.89Å; L311-L342 HydrophobicContact CD1-CD2 4.25Å; L311-L342 HydrophobicContact CD2-CD1 3.65Å; L311-L342 HydrophobicContact CD2-CD2 4.29Å; L311-L342 HydrophobicContact CG-CD1 4.19Å; L311-L342 HydrophobicContact CG-CD2 3.88Å; L311-V346 HydrophobicContact CD1-CG1 3.88Å; L311-W350 HydrophobicContact CB-CG 4.45Å; L311-W350 HydrophobicContact CD1-CB 3.63Å; L311-W350 HydrophobicContact CD1-CD2 4.25Å; L311-W350 HydrophobicContact CD1-CG 3.72Å; L311-W350 HydrophobicContact CD2-CD2 4.35Å; L311-W350 HydrophobicContact CG-CG 4.49Å
312G86.4Confident86.7Confident3 Ų342.3 Ų42.33%0.03120%0.203CC..Hα-helixtrans-60.4-38.617200000112.6K308 Y309 E315 C316K308-G312 PolarHBondContact O-N 2.92Å; Y309-G312 PolarHBondContact O-N 2.82Å; G312-E315 PolarHBondContact O-N 2.76Å; G312-C316 PolarHBondContact O-N 3.47Å; G312-C316 VanDerWaalsContact O-N 3.11Å; G312-C316 PolarHBondContact O-SG 3.47Å
313G86.3Confident86.9Confident0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-65.2-41.1173.500000113.7L274 S277 Y309 L310 L311 E315 C316 V317L274-G313 VanDerWaalsContact CD1-CA 3.41Å; S277-G313 WeakPolarHBondContact OG-CA 3.35Å; Y309-G313 PolarHBondContact O-N 3.49Å; L310-G313 PolarHBondContact O-N 3.32Å; L311-G313 VanDerWaalsContact C-N 3.28Å; L311-G313 PolarHBondContact O-N 3.19Å; G313-E315 PolarHBondContact O-N 2.9Å; G313-C316 WeakPolarHBondContact O-CB 3.18Å; G313-C316 PolarHBondContact O-N 2.87Å; G313-V317 WeakPolarHBondContact O-CG2 3.44Å; G313-V317 PolarHBondContact O-N 3.32Å
314F88.7Confident86.7Confident3 Ų344.8 Ų44.81%0.01322%0.218CC..Hα-helixtrans-59.1-44.8172.6168-105.6000111.9I285 L310 L311 C316 V317 V318 V329 I332 L333 I367I285-F314 HydrophobicContact CD1-CD2 4.16Å; L310-F314 PolarHBondContact O-N 2.86Å; L311-F314 WeakPolarHBondContact O-CB 3.45Å; L311-F314 PolarHBondContact O-N 3.03Å; F314-C316 VanDerWaalsContact C-N 3.34Å; F314-C316 PolarHBondContact O-N 3.09Å; F314-V317 PolarHBondContact O-N 3.2Å; F314-V318 HydrophobicContact CD2-CG2 4.17Å; F314-V318 HydrophobicContact CE1-CG2 4.1Å; F314-V318 HydrophobicContact CE2-CG2 3.69Å; F314-V318 HydrophobicContact CZ-CG2 3.66Å; F314-V318 WeakPolarHBondContact O-CG2 3.28Å; F314-V318 PolarHBondContact O-N 2.96Å; F314-V329 HydrophobicContact CE1-CG1 4.09Å; F314-V329 HydrophobicContact CZ-CB 4.25Å; F314-V329 HydrophobicContact CZ-CG1 3.93Å; F314-V329 HydrophobicContact CZ-CG2 4.06Å; F314-I332 HydrophobicContact CD2-CG2 4.03Å; F314-I332 HydrophobicContact CE2-CB 4.01Å; F314-I332 HydrophobicContact CE2-CD1 4.22Å; F314-I332 HydrophobicContact CE2-CG2 3.53Å; F314-I332 HydrophobicContact CZ-CG2 4.4Å; F314-L333 HydrophobicContact CD1-CD2 4.31Å; F314-L333 HydrophobicContact CE1-CD2 4.09Å; F314-L333 HydrophobicContact CE1-CG 4.29Å; F314-L333 HydrophobicContact CZ-CG 4.43Å; F314-I367 HydrophobicContact CE1-CG2 4.3Å
315E87.6Confident86.6Confident2 Ų239.7 Ų39.71%0.00920%0.196CC..Hα-helixtrans-58.8-43.3174.8-69.6175.8172.400112.1L311 G312 G313 V317 V318 K319 W350 V359 I367L311-E315 WeakPolarHBondContact O-CG 3.44Å; L311-E315 PolarHBondContact O-N 3.44Å; G312-E315 PolarHBondContact O-N 2.76Å; G313-E315 PolarHBondContact O-N 2.9Å; E315-V317 PolarHBondContact O-N 2.99Å; E315-V318 PolarHBondContact O-N 3.23Å; E315-K319 PolarHBondContact O-N 2.7Å; E315-W350 HydrophobicContact CG-CZ2 4.49Å; E315-W350 PolarHBondContact OE1-NE1 2.85Å; E315-V359 HydrophobicContact CB-CG1 3.83Å; E315-V359 HydrophobicContact CB-CG2 4.1Å; E315-V359 HydrophobicContact CG-CG2 4.38Å; E315-V359 WeakPolarHBondContact O-CG1 3.16Å; E315-I367 HydrophobicContact CB-CD1 4.46Å; E315-I367 HydrophobicContact CG-CD1 4.36Å
316C85.2Confident86.4Confident29 Ų2935.8 Ų35.820%0.19618%0.179CC..Hα-helixtrans-59.8-42.8175-740000112.4G312 G313 F314 K319 L320G312-C316 PolarHBondContact O-N 3.47Å; G312-C316 VanDerWaalsContact O-N 3.11Å; G312-C316 PolarHBondContact O-SG 3.47Å; G313-C316 WeakPolarHBondContact O-CB 3.18Å; G313-C316 PolarHBondContact O-N 2.87Å; F314-C316 VanDerWaalsContact C-N 3.34Å; F314-C316 PolarHBondContact O-N 3.09Å; C316-K319 WeakPolarHBondContact O-CB 3.12Å; C316-K319 PolarHBondContact O-N 2.93Å; C316-L320 WeakPolarHBondContact O-CG 3.4Å; C316-L320 PolarHBondContact O-N 3.31Å; C316-L320 VanDerWaalsContact O-N 3.12Å
317V86.5Confident86.5Confident2 Ų240.4 Ų40.41%0.01221%0.209CC..Hα-helixtrans-67.4-40178.21770000111F281 I285 G313 F314 E315 K319 L320 H321 L325F281-V317 HydrophobicContact CB-CG1 4.12Å; F281-V317 HydrophobicContact CB-CG2 4.05Å; I285-V317 HydrophobicContact CD1-CG1 4.25Å; G313-V317 WeakPolarHBondContact O-CG2 3.44Å; G313-V317 PolarHBondContact O-N 3.32Å; F314-V317 PolarHBondContact O-N 3.2Å; E315-V317 PolarHBondContact O-N 2.99Å; V317-K319 VanDerWaalsContact C-N 3.31Å; V317-K319 PolarHBondContact O-N 3.4Å; V317-L320 PolarHBondContact O-N 3.07Å; V317-H321 PolarHBondContact O-N 3.47Å; V317-L325 HydrophobicContact CG1-CD1 3.71Å
318V86.4Confident86.3Confident0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-63-38.8173.9176.30000111.1F314 E315 L320 H321 Q322 L325 L326 V329 I367F314-V318 HydrophobicContact CD2-CG2 4.17Å; F314-V318 HydrophobicContact CE1-CG2 4.1Å; F314-V318 HydrophobicContact CE2-CG2 3.69Å; F314-V318 HydrophobicContact CZ-CG2 3.66Å; F314-V318 WeakPolarHBondContact O-CG2 3.28Å; F314-V318 PolarHBondContact O-N 2.96Å; E315-V318 PolarHBondContact O-N 3.23Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.05Å; V318-H321 CarbonylContact O-C 3.51Å; V318-H321 PolarHBondContact O-N 3.49Å; V318-Q322 WeakPolarHBondContact O-CA 3.34Å; V318-Q322 WeakPolarHBondContact O-CG 3.35Å; V318-Q322 PolarHBondContact O-N 2.98Å; V318-L325 HydrophobicContact CG2-CB 4.18Å; V318-L325 HydrophobicContact CG2-CD1 4.46Å; V318-L326 HydrophobicContact CG1-CD2 3.67Å; V318-L326 HydrophobicContact CG1-CG 4.06Å; V318-V329 HydrophobicContact CG2-CG2 4.37Å; V318-I367 HydrophobicContact CB-CD1 4.07Å; V318-I367 HydrophobicContact CG1-CD1 3.81Å; V318-I367 HydrophobicContact CG1-CG1 3.88Å
319K85.8Confident86.3Confident80 Ų8040.3 Ų40.335%0.34821%0.205SC..Hα-helixtrans-60.5-37.1173.9177.9-174.2174.6-1720112.9E315 C316 V317 Q322 V359 L363E315-K319 PolarHBondContact O-N 2.7Å; C316-K319 WeakPolarHBondContact O-CB 3.12Å; C316-K319 PolarHBondContact O-N 2.93Å; V317-K319 VanDerWaalsContact C-N 3.31Å; V317-K319 PolarHBondContact O-N 3.4Å; K319-Q322 WeakPolarHBondContact O-CG 3.49Å; K319-Q322 PolarHBondContact O-NE2 3.41Å; K319-Q322 VanDerWaalsContact O-NE2 3.16Å; K319-V359 HydrophobicContact CB-CG1 3.86Å; K319-V359 HydrophobicContact CD-CG1 4.11Å; K319-V359 HydrophobicContact CG-CG1 4.47Å; K319-L363 HydrophobicContact CB-CD2 3.71Å; K319-L363 HydrophobicContact CG-CD2 4.02Å
320L83.8Confident86.3Confident100 Ų10040.6 Ų40.652%0.52421%0.212SC..Hα-helixtrans-72.3-35.9177.2-69.4170.4000112.5C316 V317 V318C316-L320 WeakPolarHBondContact O-CG 3.4Å; C316-L320 PolarHBondContact O-N 3.31Å; C316-L320 VanDerWaalsContact O-N 3.12Å; V317-L320 PolarHBondContact O-N 3.07Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.05Å
321H84.8Confident86.3Confident59 Ų5944.3 Ų44.327%0.27323%0.231SC..SBendtrans-12446.4-174-61.1-76.3000113.4V317 V318 V323 Q324 L325V317-H321 PolarHBondContact O-N 3.47Å; V318-H321 CarbonylContact O-C 3.51Å; V318-H321 PolarHBondContact O-N 3.49Å; H321-V323 VanDerWaalsContact C-N 3.35Å; H321-V323 PolarHBondContact O-N 2.9Å; H321-Q324 PolarHBondContact O-N 3.16Å; H321-L325 HydrophobicContact CB-CD1 3.75Å; H321-L325 HydrophobicContact CB-CG 3.86Å; H321-L325 WeakPolarHBondContact O-CB 3.37Å; H321-L325 PolarHBondContact O-N 3.14Å
322Q81.2Confident86.3Confident82 Ų8244.2 Ų44.238%0.38323%0.23SC..Hα-helixtrans-52.1-48.3-171.3-68.4176.428.100113.3V318 K319 Q324 L326 L363V318-Q322 WeakPolarHBondContact O-CA 3.34Å; V318-Q322 WeakPolarHBondContact O-CG 3.35Å; V318-Q322 PolarHBondContact O-N 2.98Å; K319-Q322 WeakPolarHBondContact O-CG 3.49Å; K319-Q322 PolarHBondContact O-NE2 3.41Å; K319-Q322 VanDerWaalsContact O-NE2 3.16Å; Q322-Q324 VanDerWaalsContact C-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.22Å; Q322-L326 HydrophobicContact CB-CD1 3.87Å; Q322-L326 HydrophobicContact CB-CG 4.35Å; Q322-L326 HydrophobicContact CG-CD1 4.47Å; Q322-L326 WeakPolarHBondContact O-CB 3.48Å; Q322-L326 WeakPolarHBondContact O-CD1 3.32Å; Q322-L326 WeakPolarHBondContact O-CG 3.37Å; Q322-L326 PolarHBondContact O-N 3.43Å; Q322-L363 HydrophobicContact CG-CD1 4.07Å; Q322-L363 HydrophobicContact CG-CD2 4.35Å
323V82.9Confident86.5Confident137 Ų13744.1 Ų44.183%0.8323%0.229SC*.Hα-helixtrans-60-36.3-174-177.60000112.4H321H321-V323 VanDerWaalsContact C-N 3.35Å; H321-V323 PolarHBondContact O-N 2.9Å
324Q83.8Confident86.6Confident85 Ų8547.5 Ų47.540%0.39724%0.244SC..Hα-helixtrans-95.6-33.6-173.7-63.2164.8-14.500112.3E283 H321 Q322E283-Q324 PolarHBondContact OE2-NE2 3.44Å; E283-Q324 PolarHBondContact OE2-OE1 3.17Å; H321-Q324 PolarHBondContact O-N 3.16Å; Q322-Q324 VanDerWaalsContact C-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.22Å
325L84.5Confident86.7Confident2 Ų248.4 Ų48.41%0.0125%0.249CC..Hα-helixtrans-93.5-31.7-172.7-61.9-174.3000113.7I285 V317 V318 H321 R328 V329 I332I285-L325 HydrophobicContact CG2-CD2 3.81Å; V317-L325 HydrophobicContact CG1-CD1 3.71Å; V318-L325 HydrophobicContact CG2-CB 4.18Å; V318-L325 HydrophobicContact CG2-CD1 4.46Å; H321-L325 HydrophobicContact CB-CD1 3.75Å; H321-L325 HydrophobicContact CB-CG 3.86Å; H321-L325 WeakPolarHBondContact O-CB 3.37Å; H321-L325 PolarHBondContact O-N 3.14Å; L325-R328 CarbonylContact O-C 3.5Å; L325-R328 WeakPolarHBondContact O-CA 3.49Å; L325-R328 PolarHBondContact O-N 3.04Å; L325-V329 PolarHBondContact O-N 2.89Å; L325-V329 VanDerWaalsContact O-N 3.08Å; L325-I332 HydrophobicContact CD2-CD1 4.02Å
326L84.4Confident86.9Confident17 Ų1748.4 Ų48.49%0.08925%0.249CC..G310 helixtrans-54.3-44.4-179.2-76.9171.5000113.8V318 Q322 R328 V329 L363 E366 I367V318-L326 HydrophobicContact CG1-CD2 3.67Å; V318-L326 HydrophobicContact CG1-CG 4.06Å; Q322-L326 HydrophobicContact CB-CD1 3.87Å; Q322-L326 HydrophobicContact CB-CG 4.35Å; Q322-L326 HydrophobicContact CG-CD1 4.47Å; Q322-L326 WeakPolarHBondContact O-CB 3.48Å; Q322-L326 WeakPolarHBondContact O-CD1 3.32Å; Q322-L326 WeakPolarHBondContact O-CG 3.37Å; Q322-L326 PolarHBondContact O-N 3.43Å; L326-R328 PolarHBondContact O-N 3.13Å; L326-V329 WeakPolarHBondContact O-CG2 3.25Å; L326-L363 HydrophobicContact CD1-CD1 4.26Å; L326-L363 HydrophobicContact CD2-CD1 4.05Å; L326-E366 HydrophobicContact CD2-CG 4.31Å; L326-I367 HydrophobicContact CD2-CG1 3.93Å
327P88.3Confident87.2Confident96 Ų9649.8 Ų49.862%0.62325%0.25SS*.G310 helixtrans-68.8-16.9177.3-18.833.1000113.6
328R87.3Confident87.3Confident127 Ų12753.5 Ų53.548%0.47927%0.27SS..G310 helixtrans-106.70.4-173.1-63.9-178.4175.4-177.3-0.1113.3L325 L326 A330 I331 I332L325-R328 CarbonylContact O-C 3.5Å; L325-R328 WeakPolarHBondContact O-CA 3.49Å; L325-R328 PolarHBondContact O-N 3.04Å; L326-R328 PolarHBondContact O-N 3.13Å; R328-A330 PolarHBondContact O-N 3Å; R328-I331 PolarHBondContact O-N 3.08Å; R328-I332 HydrophobicContact CB-CD1 3.93Å; R328-I332 HydrophobicContact CB-CG1 4.34Å; R328-I332 VanDerWaalsContact O-CG1 3.31Å; R328-I332 WeakPolarHBondContact O-CG1 3.45Å; R328-I332 PolarHBondContact O-N 3.24Å
329V88.8Confident87.4Confident0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-49.3-52.3-177.4166.40000112.4F314 V318 L325 L326 I331 I332 L333 I367 K370 A371F314-V329 HydrophobicContact CE1-CG1 4.09Å; F314-V329 HydrophobicContact CZ-CB 4.25Å; F314-V329 HydrophobicContact CZ-CG1 3.93Å; F314-V329 HydrophobicContact CZ-CG2 4.06Å; V318-V329 HydrophobicContact CG2-CG2 4.37Å; L325-V329 PolarHBondContact O-N 2.89Å; L325-V329 VanDerWaalsContact O-N 3.08Å; L326-V329 WeakPolarHBondContact O-CG2 3.25Å; V329-I331 VanDerWaalsContact C-N 3.29Å; V329-I331 PolarHBondContact O-N 3.07Å; V329-I332 PolarHBondContact O-N 3.45Å; V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 HydrophobicContact CG1-CG 4.49Å; V329-L333 WeakPolarHBondContact O-CG 3.44Å; V329-L333 PolarHBondContact O-N 3.46Å; V329-I367 HydrophobicContact CG1-CG2 4.13Å; V329-K370 HydrophobicContact CB-CB 4.03Å; V329-K370 HydrophobicContact CG1-CB 4.34Å; V329-K370 HydrophobicContact CG2-CB 4.45Å; V329-A371 HydrophobicContact CG1-CB 4.02Å
330A89.4Confident87.6Confident26 Ų2655.1 Ų55.122%0.21528%0.284CS..Hα-helixtrans-59-39.3179.400000113.1R328 K334 K370 F374R328-A330 PolarHBondContact O-N 3Å; A330-K334 WeakPolarHBondContact O-CB 3.46Å; A330-K334 PolarHBondContact O-N 2.88Å; A330-K370 WeakPolarHBondContact CB-O 3.36Å; A330-F374 HydrophobicContact CB-CB 4.01Å
331I89.9Confident87.8Confident79 Ų7950.3 Ų50.341%0.40526%0.259SS..Hα-helixtrans-71.3-39-179.8-56.4172.5000110.1R328 V329 K334 D335R328-I331 PolarHBondContact O-N 3.08Å; V329-I331 VanDerWaalsContact C-N 3.29Å; V329-I331 PolarHBondContact O-N 3.07Å; I331-K334 WeakPolarHBondContact O-CB 3.5Å; I331-K334 PolarHBondContact O-N 3.39Å; I331-D335 PolarHBondContact O-N 3.3Å
332I89.8Confident88.1Confident0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-67.8-43.2178.6-63.1158.9000110.4I285 R286 I289 F314 L325 R328 V329 K334 D335 L336I285-I332 HydrophobicContact CD1-CG2 4.14Å; I285-I332 HydrophobicContact CG1-CG2 4.43Å; I285-I332 HydrophobicContact CG2-CD1 3.59Å; I285-I332 HydrophobicContact CG2-CG1 3.84Å; I285-I332 HydrophobicContact CG2-CG2 4.18Å; R286-I332 HydrophobicContact CG-CG1 4.12Å; I289-I332 HydrophobicContact CD1-CG2 3.83Å; F314-I332 HydrophobicContact CD2-CG2 4.03Å; F314-I332 HydrophobicContact CE2-CB 4.01Å; F314-I332 HydrophobicContact CE2-CD1 4.22Å; F314-I332 HydrophobicContact CE2-CG2 3.53Å; F314-I332 HydrophobicContact CZ-CG2 4.4Å; L325-I332 HydrophobicContact CD2-CD1 4.02Å; R328-I332 HydrophobicContact CB-CD1 3.93Å; R328-I332 HydrophobicContact CB-CG1 4.34Å; R328-I332 VanDerWaalsContact O-CG1 3.31Å; R328-I332 WeakPolarHBondContact O-CG1 3.45Å; R328-I332 PolarHBondContact O-N 3.24Å; V329-I332 PolarHBondContact O-N 3.45Å; I332-K334 VanDerWaalsContact C-N 3.29Å; I332-K334 PolarHBondContact O-N 2.87Å; I332-D335 PolarHBondContact O-N 3.47Å; I332-D335 VanDerWaalsContact O-N 3.16Å; I332-L336 HydrophobicContact CG2-CD1 4.28Å; I332-L336 WeakPolarHBondContact O-CG 3.44Å; I332-L336 PolarHBondContact O-N 3.43Å
333L90.9Very high88.4Confident0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-61-40.1174.4-72174000111.4L311 F314 V329 L336 Y337 L342 W350 A371 F374L311-L333 HydrophobicContact CD2-CD2 3.89Å; F314-L333 HydrophobicContact CD1-CD2 4.31Å; F314-L333 HydrophobicContact CE1-CD2 4.09Å; F314-L333 HydrophobicContact CE1-CG 4.29Å; F314-L333 HydrophobicContact CZ-CG 4.43Å; V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 HydrophobicContact CG1-CG 4.49Å; V329-L333 WeakPolarHBondContact O-CG 3.44Å; V329-L333 PolarHBondContact O-N 3.46Å; L333-L336 HydrophobicContact CD2-CD1 4.43Å; L333-L336 PolarHBondContact O-N 2.92Å; L333-Y337 WeakPolarHBondContact O-CB 3.16Å; L333-Y337 PolarHBondContact O-N 3.03Å; L333-L342 HydrophobicContact CD2-CD1 4.37Å; L333-W350 HydrophobicContact CD1-CH2 4.16Å; L333-W350 HydrophobicContact CD1-CZ3 3.93Å; L333-A371 HydrophobicContact CD1-CB 3.55Å; L333-F374 HydrophobicContact CB-CD1 3.59Å; L333-F374 HydrophobicContact CB-CE1 3.62Å; L333-F374 HydrophobicContact CB-CG 4.29Å; L333-F374 HydrophobicContact CB-CZ 4.36Å; L333-F374 HydrophobicContact CD1-CD1 4.16Å
334K89.6Confident88.7Confident71 Ų7143 Ų4331%0.30922%0.215SC..Hα-helixtrans-61.1-46.5171.5-168-168.5-174.1-50.30112.1A330 I331 I332 L336 Y337 D338 F374A330-K334 WeakPolarHBondContact O-CB 3.46Å; A330-K334 PolarHBondContact O-N 2.88Å; I331-K334 WeakPolarHBondContact O-CB 3.5Å; I331-K334 PolarHBondContact O-N 3.39Å; I332-K334 VanDerWaalsContact C-N 3.29Å; I332-K334 PolarHBondContact O-N 2.87Å; K334-L336 PolarHBondContact O-N 3.47Å; K334-Y337 PolarHBondContact O-N 3.34Å; K334-D338 IonicContact NZ-OD1 2.63Å; K334-D338 PolarHBondContact NZ-OD1 3.21Å; K334-D338 IonicContact NZ-OD2 3.27Å; K334-D338 PolarHBondContact NZ-OD2 3.1Å; K334-D338 WeakPolarHBondContact O-CB 3.47Å; K334-D338 VanDerWaalsContact O-CG 3.23Å; K334-D338 PolarHBondContact O-N 2.99Å; K334-F374 VanDerWaalsContact CA-CE2 3.48Å; K334-F374 HydrophobicContact CB-CD2 3.91Å; K334-F374 HydrophobicContact CB-CE2 3.67Å; K334-F374 HydrophobicContact CB-CZ 4.46Å; K334-F374 HydrophobicContact CG-CD2 4.39Å; K334-F374 HydrophobicContact CG-CE2 3.94Å
335D90.4Very high88.8Confident23 Ų2341.8 Ų41.812%0.12321%0.212CC..Hα-helixtrans-63.2-31.9178.4-71.9-27.5000111.7R286 I331 I332 A339R286-D335 IonicContact CZ-OD2 2.91Å; R286-D335 VanDerWaalsContact CZ-OD2 3.29Å; R286-D335 IonicContact NE-OD2 3.12Å; R286-D335 PolarHBondContact NE-OD2 3.21Å; R286-D335 IonicContact NH2-OD1 3.31Å; R286-D335 PolarHBondContact NH2-OD1 3.04Å; R286-D335 IonicContact NH2-OD2 2.81Å; R286-D335 PolarHBondContact NH2-OD2 3.28Å; I331-D335 PolarHBondContact O-N 3.3Å; I332-D335 PolarHBondContact O-N 3.47Å; I332-D335 VanDerWaalsContact O-N 3.16Å; D335-A339 WeakPolarHBondContact O-CB 3.27Å; D335-A339 PolarHBondContact O-N 3.47Å; D335-A339 VanDerWaalsContact O-N 3.16Å
336L90.8Very high89Confident2 Ų241.8 Ų41.81%0.0121%0.212CC..Hα-helixtrans-71.6-41.3174.5-71.7171.1000112.2I289 I332 L333 K334 A339 L341 L342I289-L336 HydrophobicContact CD1-CD2 3.59Å; I289-L336 HydrophobicContact CD1-CG 3.82Å; I289-L336 HydrophobicContact CG1-CD2 3.76Å; I289-L336 HydrophobicContact CG2-CD2 4.07Å; I332-L336 HydrophobicContact CG2-CD1 4.28Å; I332-L336 WeakPolarHBondContact O-CG 3.44Å; I332-L336 PolarHBondContact O-N 3.43Å; L333-L336 HydrophobicContact CD2-CD1 4.43Å; L333-L336 PolarHBondContact O-N 2.92Å; K334-L336 PolarHBondContact O-N 3.47Å; L336-A339 PolarHBondContact O-N 2.9Å; L336-L341 HydrophobicContact CD2-CD1 3.81Å; L336-L341 WeakPolarHBondContact O-CB 2.94Å; L336-L341 PolarHBondContact O-N 3.14Å; L336-L341 VanDerWaalsContact O-N 3.1Å; L336-L342 HydrophobicContact CB-CD1 3.81Å; L336-L342 HydrophobicContact CB-CG 4.28Å; L336-L342 HydrophobicContact CD1-CD1 3.98Å
337Y91.1Very high89.1Confident58 Ų5841 Ų4123%0.22721%0.208CC..Hα-helixtrans-65.7-50.9174.8171.7-98.6000111.6L333 K334 A339 D340 E344 I347 F374 W377 L378L333-Y337 WeakPolarHBondContact O-CB 3.16Å; L333-Y337 PolarHBondContact O-N 3.03Å; K334-Y337 PolarHBondContact O-N 3.34Å; Y337-A339 PolarHBondContact O-N 3.38Å; Y337-D340 PolarHBondContact O-N 3.34Å; Y337-E344 HydrophobicContact CD2-CG 4.33Å; Y337-E344 HydrophobicContact CE2-CG 3.47Å; Y337-E344 VanDerWaalsContact CE2-CG 3.47Å; Y337-E344 WeakPolarHBondContact CE2-OE1 3.23Å; Y337-E344 PolarHBondContact OH-OE1 3.29Å; Y337-I347 HydrophobicContact CD2-CD1 4.1Å; Y337-F374 HydrophobicContact CG-CZ 4.24Å; Y337-W377 HydrophobicContact CD1-CZ3 4.31Å; Y337-W377 HydrophobicContact CE1-CH2 4.21Å; Y337-W377 HydrophobicContact CE1-CZ3 4.23Å; Y337-L378 HydrophobicContact CD1-CD2 4.35Å; Y337-L378 HydrophobicContact CD2-CD2 4.25Å; Y337-L378 HydrophobicContact CE1-CD2 4.11Å; Y337-L378 HydrophobicContact CE2-CD2 4.01Å; Y337-L378 HydrophobicContact CG-CD2 4.41Å
338D89.7Confident89.1Confident80 Ų8037.4 Ų37.443%0.42818%0.182SC..THydrogen-bonded Turntrans-59.3-22.2174.8-68.4-6.4000112K334 D340K334-D338 IonicContact NZ-OD1 2.63Å; K334-D338 PolarHBondContact NZ-OD1 3.21Å; K334-D338 IonicContact NZ-OD2 3.27Å; K334-D338 PolarHBondContact NZ-OD2 3.1Å; K334-D338 WeakPolarHBondContact O-CB 3.47Å; K334-D338 VanDerWaalsContact O-CG 3.23Å; K334-D338 PolarHBondContact O-N 2.99Å; D338-D340 VanDerWaalsContact C-N 3.32Å
339A88.5Confident89.1Confident9 Ų933.2 Ų33.27%0.07418%0.175CC..THydrogen-bonded Turntrans-874.6176.300000113.8I289 K293 D335 L336 Y337 L341I289-A339 HydrophobicContact CG2-CB 4.14Å; K293-A339 HydrophobicContact CD-CB 4.05Å; K293-A339 WeakPolarHBondContact CE-O 3.47Å; K293-A339 HydrophobicContact CG-CB 4.45Å; K293-A339 PolarHBondContact NZ-O 3.41Å; D335-A339 WeakPolarHBondContact O-CB 3.27Å; D335-A339 PolarHBondContact O-N 3.47Å; D335-A339 VanDerWaalsContact O-N 3.16Å; L336-A339 PolarHBondContact O-N 2.9Å; Y337-A339 PolarHBondContact O-N 3.38Å; A339-L341 HydrophobicContact CB-CD1 4.09Å; A339-L341 HydrophobicContact CB-CG 3.89Å; A339-L341 PolarHBondContact O-N 3.03Å
340D89.1Confident89Confident104 Ų10434.4 Ų34.456%0.55618%0.18SC*.THydrogen-bonded Turntrans58.728.7-177.5-41.7-78.3000112.7K293 L297 Y337 D338K293-D340 IonicContact NZ-OD2 2.67Å; K293-D340 PolarHBondContact NZ-OD2 3.06Å; L297-D340 HydrophobicContact CD1-CB 4.25Å; L297-D340 WeakPolarHBondContact CD1-O 3.26Å; Y337-D340 PolarHBondContact O-N 3.34Å; D338-D340 VanDerWaalsContact C-N 3.32Å
341L88.4Confident88.8Confident0 Ų034.4 Ų34.40%018%0.18CC..SBendtrans-94.9-21.2-179.3-59.8-177.5000112.8I289 F296 L297 C300 Q307 L310 L336 A339I289-L341 HydrophobicContact CG2-CD1 4.23Å; F296-L341 HydrophobicContact CB-CD1 3.88Å; F296-L341 HydrophobicContact CB-CD2 3.6Å; F296-L341 HydrophobicContact CB-CG 4.35Å; F296-L341 HydrophobicContact CG-CD1 4.43Å; L297-L341 HydrophobicContact CB-CD2 4.15Å; L297-L341 HydrophobicContact CD1-CD2 4.36Å; C300-L341 WeakPolarHBondContact CB-O 3.3Å; Q307-L341 WeakPolarHBondContact CG-O 3.39Å; L310-L341 HydrophobicContact CD2-CB 3.99Å; L336-L341 HydrophobicContact CD2-CD1 3.81Å; L336-L341 WeakPolarHBondContact O-CB 2.94Å; L336-L341 PolarHBondContact O-N 3.14Å; L336-L341 VanDerWaalsContact O-N 3.1Å; A339-L341 HydrophobicContact CB-CD1 4.09Å; A339-L341 HydrophobicContact CB-CG 3.89Å; A339-L341 PolarHBondContact O-N 3.03Å
342L90.3Very high88.5Confident5 Ų537.3 Ų37.33%0.02619%0.191CC..SBendtrans-133.5128.7-179.7-65.5176.1000109.3Q307 L310 L311 L333 L336 I347Q307-L342 HydrophobicContact CB-CD2 3.98Å; L310-L342 HydrophobicContact CD2-CD2 4.1Å; L310-L342 HydrophobicContact CD2-CG 4.43Å; L311-L342 HydrophobicContact CD1-CD2 4.25Å; L311-L342 HydrophobicContact CD2-CD1 3.65Å; L311-L342 HydrophobicContact CD2-CD2 4.29Å; L311-L342 HydrophobicContact CG-CD1 4.19Å; L311-L342 HydrophobicContact CG-CD2 3.88Å; L333-L342 HydrophobicContact CD2-CD1 4.37Å; L336-L342 HydrophobicContact CB-CD1 3.81Å; L336-L342 HydrophobicContact CB-CG 4.28Å; L336-L342 HydrophobicContact CD1-CD1 3.98Å; L342-I347 HydrophobicContact CB-CD1 3.85Å; L342-I347 HydrophobicContact CB-CG1 4Å; L342-I347 HydrophobicContact CD1-CG1 4.32Å
343E89.3Confident87.9Confident70 Ų7046 Ų4633%0.32722%0.224SC..  trans-83.9157171.2-67.8167-136.500110.8Q307 D345 V346 I347Q307-E343 PolarHBondContact NE2-OE1 3.04Å; E343-D345 WeakPolarHBondContact CB-OD1 3.47Å; E343-V346 HydrophobicContact CB-CG2 4.5Å; E343-V346 PolarHBondContact O-N 3.26Å; E343-I347 WeakPolarHBondContact O-CG1 3.31Å; E343-I347 PolarHBondContact O-N 3.29Å; E343-I347 VanDerWaalsContact O-N 3.14Å
344E87.5Confident86.9Confident48 Ų4849.1 Ų49.122%0.22424%0.243CC..Hα-helixtrans-64.3-43.6-174.1-59.9-177.8-161.900111.5Y337 V346 I347 F348 L378 E382Y337-E344 HydrophobicContact CD2-CG 4.33Å; Y337-E344 HydrophobicContact CE2-CG 3.47Å; Y337-E344 VanDerWaalsContact CE2-CG 3.47Å; Y337-E344 WeakPolarHBondContact CE2-OE1 3.23Å; Y337-E344 PolarHBondContact OH-OE1 3.29Å; E344-V346 VanDerWaalsContact C-N 3.3Å; E344-V346 PolarHBondContact O-N 3.18Å; E344-I347 WeakPolarHBondContact O-CB 3.39Å; E344-I347 PolarHBondContact O-N 3.39Å; E344-F348 HydrophobicContact CB-CD2 4.38Å; E344-F348 HydrophobicContact CB-CE2 3.8Å; E344-F348 HydrophobicContact CB-CZ 4.43Å; E344-F348 WeakPolarHBondContact O-CD2 3.36Å; E344-F348 WeakPolarHBondContact O-CG 3.17Å; E344-F348 PolarHBondContact O-N 3.33Å; E344-L378 HydrophobicContact CG-CD2 4.42Å; E344-E382 WeakPolarHBondContact OE2-CG 3.39Å
345D86.4Confident85.7Confident60 Ų6047.3 Ų47.332%0.32124%0.239SC..Hα-helixtrans-56.9-41.2176.669.4-33.5000112.4K304 E343 F348 A349K304-D345 WeakPolarHBondContact CD-OD2 3.3Å; K304-D345 WeakPolarHBondContact CE-OD2 3.23Å; K304-D345 IonicContact NZ-OD2 2.73Å; K304-D345 PolarHBondContact NZ-OD2 3.49Å; E343-D345 WeakPolarHBondContact CB-OD1 3.47Å; D345-F348 PolarHBondContact O-N 3.44Å; D345-A349 VanDerWaalsContact O-CB 3.28Å; D345-A349 WeakPolarHBondContact O-CB 3.49Å; D345-A349 PolarHBondContact O-N 2.89Å
346V88.2Confident84.3Confident2 Ų253.7 Ų53.71%0.01227%0.266CS..Hα-helixtrans-69.2-38.3177.1-179.20000111K304 Q307 K308 L311 E343 E344 W350K304-V346 HydrophobicContact CB-CG2 4.02Å; K304-V346 HydrophobicContact CG-CG2 4.14Å; Q307-V346 HydrophobicContact CB-CB 4.48Å; Q307-V346 HydrophobicContact CB-CG1 3.94Å; Q307-V346 HydrophobicContact CB-CG2 4.29Å; K308-V346 HydrophobicContact CG-CG1 3.91Å; L311-V346 HydrophobicContact CD1-CG1 3.88Å; E343-V346 HydrophobicContact CB-CG2 4.5Å; E343-V346 PolarHBondContact O-N 3.26Å; E344-V346 VanDerWaalsContact C-N 3.3Å; E344-V346 PolarHBondContact O-N 3.18Å; V346-W350 VanDerWaalsContact O-CB 3.29Å; V346-W350 WeakPolarHBondContact O-CB 3.34Å; V346-W350 PolarHBondContact O-N 3.33Å
347I88.1Confident83Confident0 Ų058.9 Ų58.90%029%0.288CS..Hα-helixtrans-66.9-41.4177.1-65.1162.7000110.6Y337 L342 E343 E344 W350 A351 F374 V375 L378Y337-I347 HydrophobicContact CD2-CD1 4.1Å; L342-I347 HydrophobicContact CB-CD1 3.85Å; L342-I347 HydrophobicContact CB-CG1 4Å; L342-I347 HydrophobicContact CD1-CG1 4.32Å; E343-I347 WeakPolarHBondContact O-CG1 3.31Å; E343-I347 PolarHBondContact O-N 3.29Å; E343-I347 VanDerWaalsContact O-N 3.14Å; E344-I347 WeakPolarHBondContact O-CB 3.39Å; E344-I347 PolarHBondContact O-N 3.39Å; I347-W350 PolarHBondContact O-N 3.03Å; I347-A351 VanDerWaalsContact O-CB 3.3Å; I347-A351 WeakPolarHBondContact O-CB 3.16Å; I347-A351 PolarHBondContact O-N 2.9Å; I347-F374 HydrophobicContact CD1-CE1 4.16Å; I347-F374 HydrophobicContact CD1-CZ 4.45Å; I347-F374 HydrophobicContact CG2-CE1 4.19Å; I347-V375 HydrophobicContact CG2-CG2 4.38Å; I347-L378 HydrophobicContact CB-CD1 4.27Å; I347-L378 HydrophobicContact CD1-CD1 3.92Å; I347-L378 HydrophobicContact CG2-CD1 3.74Å
348F87.9Confident81.8Confident21 Ų2158.9 Ų58.99%0.09229%0.289CS..Hα-helixtrans-66.4-48.4176.2-62.4-45.2000112.1E344 D345 W350 A351 E352 V375 L378 K379 E382E344-F348 HydrophobicContact CB-CD2 4.38Å; E344-F348 HydrophobicContact CB-CE2 3.8Å; E344-F348 HydrophobicContact CB-CZ 4.43Å; E344-F348 WeakPolarHBondContact O-CD2 3.36Å; E344-F348 WeakPolarHBondContact O-CG 3.17Å; E344-F348 PolarHBondContact O-N 3.33Å; D345-F348 PolarHBondContact O-N 3.44Å; F348-W350 PolarHBondContact O-N 3.35Å; F348-A351 PolarHBondContact O-N 2.92Å; F348-E352 WeakPolarHBondContact O-CG 3.39Å; F348-E352 PolarHBondContact O-N 2.72Å; F348-V375 HydrophobicContact CD1-CG1 4.05Å; F348-V375 HydrophobicContact CE1-CG1 4.2Å; F348-L378 HydrophobicContact CE1-CB 3.85Å; F348-L378 HydrophobicContact CZ-CB 3.8Å; F348-K379 HydrophobicContact CD1-CG 4.13Å; F348-K379 HydrophobicContact CE1-CD 4.31Å; F348-K379 HydrophobicContact CE1-CG 3.41Å; F348-K379 VanDerWaalsContact CE1-CG 3.41Å; F348-K379 HydrophobicContact CZ-CG 3.89Å; F348-E382 HydrophobicContact CE2-CG 4.39Å; F348-E382 WeakPolarHBondContact CE2-OE2 3.16Å; F348-E382 HydrophobicContact CZ-CG 4.49Å; F348-E382 WeakPolarHBondContact CZ-OE2 3.49Å
349A86.8Confident81.1Confident40 Ų4055.4 Ų55.433%0.33127%0.27SS..Hα-helixtrans-58.5-37.1177.400000112D345 R353D345-A349 VanDerWaalsContact O-CB 3.28Å; D345-A349 WeakPolarHBondContact O-CB 3.49Å; D345-A349 PolarHBondContact O-N 2.89Å; A349-R353 PolarHBondContact O-N 2.98Å
350W87.8Confident80.7Confident25 Ų2558.2 Ų58.210%0.09529%0.289CS..Hα-helixtrans-68.8-47.1172.8172.877.3000111.8L311 E315 L333 V346 I347 F348 E352 R353 I367 H368 A371L311-W350 HydrophobicContact CB-CG 4.45Å; L311-W350 HydrophobicContact CD1-CB 3.63Å; L311-W350 HydrophobicContact CD1-CD2 4.25Å; L311-W350 HydrophobicContact CD1-CG 3.72Å; L311-W350 HydrophobicContact CD2-CD2 4.35Å; L311-W350 HydrophobicContact CG-CG 4.49Å; E315-W350 HydrophobicContact CG-CZ2 4.49Å; E315-W350 PolarHBondContact OE1-NE1 2.85Å; L333-W350 HydrophobicContact CD1-CH2 4.16Å; L333-W350 HydrophobicContact CD1-CZ3 3.93Å; V346-W350 VanDerWaalsContact O-CB 3.29Å; V346-W350 WeakPolarHBondContact O-CB 3.34Å; V346-W350 PolarHBondContact O-N 3.33Å; I347-W350 PolarHBondContact O-N 3.03Å; F348-W350 PolarHBondContact O-N 3.35Å; W350-E352 VanDerWaalsContact C-N 3.25Å; W350-E352 PolarHBondContact O-N 3.12Å; W350-R353 CarbonylContact O-C 3.48Å; W350-R353 PolarHBondContact O-N 3.33Å; W350-I367 HydrophobicContact CH2-CG2 3.96Å; W350-I367 HydrophobicContact CZ2-CG2 3.97Å; W350-H368 AromaticContact CE2-NE2 3.72Å; W350-H368 AromaticContact CZ2-CD2 3.86Å; W350-H368 AromaticContact CZ2-NE2 3.67Å; W350-H368 AromaticContact NE1-NE2 3.9Å; W350-H368 PolarHBondContact O-CE1 3.32Å; W350-A371 HydrophobicContact CH2-CB 3.99Å; W350-A371 HydrophobicContact CZ3-CB 3.91Å
351A84.1Confident80.2Confident26 Ų2658.8 Ų58.822%0.21529%0.287CS..Hα-helixtrans-59.9-35.2-177.600000113I347 F348 H368 V375I347-A351 VanDerWaalsContact O-CB 3.3Å; I347-A351 WeakPolarHBondContact O-CB 3.16Å; I347-A351 PolarHBondContact O-N 2.9Å; F348-A351 PolarHBondContact O-N 2.92Å; A351-H368 PolarHBondContact O-ND1 3.33Å; A351-V375 HydrophobicContact CB-CG1 4.02Å; A351-V375 HydrophobicContact CB-CG2 3.82Å
352E83.4Confident79.9Confident139 Ų13966.5 Ų66.565%0.6532%0.323SS*.Hα-helixtrans-74.4-36.7178.6-70.9176.5-179.300113.1F348 W350F348-E352 WeakPolarHBondContact O-CG 3.39Å; F348-E352 PolarHBondContact O-N 2.72Å; W350-E352 VanDerWaalsContact C-N 3.25Å; W350-E352 PolarHBondContact O-N 3.12Å
353R77.9Confident79.5Confident183 Ų18366.6 Ų66.669%0.69132%0.324SS*.SBendtrans-104.595.8-176.3-63.4-172.2-178.1-167.32.2111.1A349 W350 S355A349-R353 PolarHBondContact O-N 2.98Å; W350-R353 CarbonylContact O-C 3.48Å; W350-R353 PolarHBondContact O-N 3.33Å; R353-S355 PolarHBondContact O-N 3.38Å
354V70.3Confident79.3Confident66 Ų6663.3 Ų63.340%0.431%0.308SS..  trans-68.2103.7171.7-173.30000109.7A364 K365V354-A364 HydrophobicContact CG1-CB 3.63Å; V354-K365 HydrophobicContact CG1-CG 4.45Å
355S64.5Low79.2Confident32 Ų3266.6 Ų66.622%0.22432%0.322CS..  trans-76.7146.8179.5-1750000111.9R353 K357R353-S355 PolarHBondContact O-N 3.38Å; S355-K357 WeakPolarHBondContact OG-CB 3.32Å; S355-K357 WeakPolarHBondContact OG-CG 3.32Å; S355-K357 PolarHBondContact OG-N 3.41Å; S355-K357 VanDerWaalsContact OG-N 3.12Å
356K60.6Low79.2Confident157 Ų15767.9 Ų67.968%0.68333%0.326SS*.  trans-1010.6168.4-61.5179.4-172.1169.20112.7Y358K356-Y358 PolarHBondContact O-N 3.5Å
357K63.8Low79.2Confident111 Ų11167.8 Ų67.848%0.48333%0.325SS..SBendtrans-70-34-166.2-66.1-175.8-179.1-171.40113.3S355 N399S355-K357 WeakPolarHBondContact OG-CB 3.32Å; S355-K357 WeakPolarHBondContact OG-CG 3.32Å; S355-K357 PolarHBondContact OG-N 3.41Å; S355-K357 VanDerWaalsContact OG-N 3.12Å; K357-N399 PolarHBondContact NZ-ND2 3.28Å
358Y65.4Low79.1Confident59 Ų5968.8 Ų68.823%0.23133%0.33CS..SBendtrans-115.1-35.7-170.7-59.8-71.1000113.8L274 Y309 K356L274-Y358 HydrophobicContact CD1-CE1 4.37Å; L274-Y358 HydrophobicContact CD2-CE1 4.13Å; Y309-Y358 WeakPolarHBondContact CD1-OH 3.26Å; Y309-Y358 WeakPolarHBondContact CE1-OH 3.48Å; K356-Y358 PolarHBondContact O-N 3.5Å
359V73.9Confident79.1Confident6 Ų671 Ų714%0.03635%0.352CS..SBendtrans-129.8158.2-174.4-70.30000111.9E315 K319 L363 A364E315-V359 HydrophobicContact CB-CG1 3.83Å; E315-V359 HydrophobicContact CB-CG2 4.1Å; E315-V359 HydrophobicContact CG-CG2 4.38Å; E315-V359 WeakPolarHBondContact O-CG1 3.16Å; K319-V359 HydrophobicContact CB-CG1 3.86Å; K319-V359 HydrophobicContact CD-CG1 4.11Å; K319-V359 HydrophobicContact CG-CG1 4.47Å; V359-L363 HydrophobicContact CB-CD2 4.19Å; V359-L363 HydrophobicContact CG1-CD2 4.09Å; V359-A364 HydrophobicContact CG2-CB 3.79Å
360S80.9Confident79.2Confident69 Ų6973.8 Ų73.848%0.48336%0.357SS..  trans-60.4148.2176.366.70000110.3E362 L363 A364S360-E362 PolarHBondContact O-N 2.73Å; S360-E362 VanDerWaalsContact O-N 3.09Å; S360-L363 PolarHBondContact O-N 3.5Å; S360-L363 WeakPolarHBondContact OG-CB 3.15Å; S360-L363 PolarHBondContact OG-N 3.29Å; S360-A364 PolarHBondContact O-N 3.44Å
361K78.5Confident79.3Confident116 Ų11672.7 Ų72.750%0.50435%0.352SS..Hα-helixtrans-55.8-31.7-178.1-170-178.3-175.4-177.60112.8K365K361-K365 VanDerWaalsContact O-CG 3.24Å; K361-K365 WeakPolarHBondContact O-CG 3.41Å; K361-K365 PolarHBondContact O-N 3.15Å
362E82Confident79.4Confident161 Ų16173.9 Ų73.975%0.75236%0.363SS*.Hα-helixtrans-70.7-47.9178.1-66173.4-177.900111.3S360 K365 E366S360-E362 PolarHBondContact O-N 2.73Å; S360-E362 VanDerWaalsContact O-N 3.09Å; E362-K365 PolarHBondContact O-N 3.1Å; E362-E366 PolarHBondContact O-N 3.09Å
363L82.2Confident79.7Confident8 Ų871.4 Ų71.44%0.04236%0.358CS..Hα-helixtrans-67.4-40.3178.7-174.965.6000111.5K319 Q322 L326 V359 S360 K365 E366 I367K319-L363 HydrophobicContact CB-CD2 3.71Å; K319-L363 HydrophobicContact CG-CD2 4.02Å; Q322-L363 HydrophobicContact CG-CD1 4.07Å; Q322-L363 HydrophobicContact CG-CD2 4.35Å; L326-L363 HydrophobicContact CD1-CD1 4.26Å; L326-L363 HydrophobicContact CD2-CD1 4.05Å; V359-L363 HydrophobicContact CB-CD2 4.19Å; V359-L363 HydrophobicContact CG1-CD2 4.09Å; S360-L363 PolarHBondContact O-N 3.5Å; S360-L363 WeakPolarHBondContact OG-CB 3.15Å; S360-L363 PolarHBondContact OG-N 3.29Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.13Å; L363-E366 PolarHBondContact O-N 3.01Å; L363-E366 VanDerWaalsContact O-N 3.15Å; L363-I367 HydrophobicContact CG-CD1 4.02Å; L363-I367 HydrophobicContact CG-CG1 4.43Å; L363-I367 VanDerWaalsContact O-CG1 3.27Å; L363-I367 WeakPolarHBondContact O-CG1 3.41Å; L363-I367 PolarHBondContact O-N 2.91Å
364A84.1Confident80.3Confident0 Ų063.1 Ų63.10%033%0.328CS..Hα-helixtrans-56.9-48.7174.600000110.9V354 V359 S360 E366 I367 H368V354-A364 HydrophobicContact CG1-CB 3.63Å; V359-A364 HydrophobicContact CG2-CB 3.79Å; S360-A364 PolarHBondContact O-N 3.44Å; A364-E366 VanDerWaalsContact C-N 3.29Å; A364-E366 PolarHBondContact O-N 3.04Å; A364-I367 PolarHBondContact O-N 3.18Å; A364-H368 PolarHBondContact O-CD2 3.24Å; A364-H368 PolarHBondContact O-N 2.99Å
365K86Confident81.2Confident118 Ų11860.8 Ų60.851%0.51331%0.313SS..Hα-helixtrans-59.9-39.5176.3-76.3175.7175.3-168.80112.5V354 K361 E362 L363 A369V354-K365 HydrophobicContact CG1-CG 4.45Å; K361-K365 VanDerWaalsContact O-CG 3.24Å; K361-K365 WeakPolarHBondContact O-CG 3.41Å; K361-K365 PolarHBondContact O-N 3.15Å; E362-K365 PolarHBondContact O-N 3.1Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.13Å; K365-A369 VanDerWaalsContact O-CB 3.3Å; K365-A369 WeakPolarHBondContact O-CB 3.36Å; K365-A369 PolarHBondContact O-N 3.34Å
366E87.2Confident82.3Confident86 Ų8665.4 Ų65.440%0.40233%0.329SS..Hα-helixtrans-66.1-43.4176.8-168.9175.5-174.600111.8L326 E362 L363 A364 H368 A369 K370L326-E366 HydrophobicContact CD2-CG 4.31Å; E362-E366 PolarHBondContact O-N 3.09Å; L363-E366 PolarHBondContact O-N 3.01Å; L363-E366 VanDerWaalsContact O-N 3.15Å; A364-E366 VanDerWaalsContact C-N 3.29Å; A364-E366 PolarHBondContact O-N 3.04Å; E366-H368 PolarHBondContact O-N 2.7Å; E366-A369 PolarHBondContact O-N 2.88Å; E366-K370 WeakPolarHBondContact O-CG 3.44Å; E366-K370 PolarHBondContact O-N 2.89Å
367I87.1Confident83.8Confident0 Ų063.1 Ų63.10%032%0.317CS..Hα-helixtrans-58.6-48.9174.9-68.4168.7000110.3F314 E315 V318 L326 V329 W350 L363 A364 A369 K370 A371F314-I367 HydrophobicContact CE1-CG2 4.3Å; E315-I367 HydrophobicContact CB-CD1 4.46Å; E315-I367 HydrophobicContact CG-CD1 4.36Å; V318-I367 HydrophobicContact CB-CD1 4.07Å; V318-I367 HydrophobicContact CG1-CD1 3.81Å; V318-I367 HydrophobicContact CG1-CG1 3.88Å; L326-I367 HydrophobicContact CD2-CG1 3.93Å; V329-I367 HydrophobicContact CG1-CG2 4.13Å; W350-I367 HydrophobicContact CH2-CG2 3.96Å; W350-I367 HydrophobicContact CZ2-CG2 3.97Å; L363-I367 HydrophobicContact CG-CD1 4.02Å; L363-I367 HydrophobicContact CG-CG1 4.43Å; L363-I367 VanDerWaalsContact O-CG1 3.27Å; L363-I367 WeakPolarHBondContact O-CG1 3.41Å; L363-I367 PolarHBondContact O-N 2.91Å; A364-I367 PolarHBondContact O-N 3.18Å; I367-A369 VanDerWaalsContact C-N 3.35Å; I367-A369 PolarHBondContact O-N 3.35Å; I367-K370 CarbonylContact O-C 3.58Å; I367-K370 PolarHBondContact O-N 3.37Å; I367-A371 WeakPolarHBondContact O-CB 3.42Å; I367-A371 PolarHBondContact O-N 3.07Å
368H86.8Confident84.8Confident21 Ų2157.9 Ų57.910%0.09729%0.294CS..Hα-helixtrans-64.3-38.5178.2-75.8-123.8000111.9W350 A351 A364 E366 K370 A371 A372W350-H368 AromaticContact CE2-NE2 3.72Å; W350-H368 AromaticContact CZ2-CD2 3.86Å; W350-H368 AromaticContact CZ2-NE2 3.67Å; W350-H368 AromaticContact NE1-NE2 3.9Å; W350-H368 PolarHBondContact O-CE1 3.32Å; A351-H368 PolarHBondContact O-ND1 3.33Å; A364-H368 PolarHBondContact O-CD2 3.24Å; A364-H368 PolarHBondContact O-N 2.99Å; E366-H368 PolarHBondContact O-N 2.7Å; H368-K370 VanDerWaalsContact C-N 3.29Å; H368-K370 PolarHBondContact O-N 3.5Å; H368-A371 CarbonylContact O-C 3.55Å; H368-A371 PolarHBondContact O-N 3.12Å; H368-A371 VanDerWaalsContact O-N 3.16Å; H368-A372 PolarHBondContact O-N 3.07Å
369A88.6Confident85.7Confident67 Ų6759.5 Ų59.555%0.55430%0.302SS*.Hα-helixtrans-62.9-36.7175.100000112.1K365 E366 I367K365-A369 VanDerWaalsContact O-CB 3.3Å; K365-A369 WeakPolarHBondContact O-CB 3.36Å; K365-A369 PolarHBondContact O-N 3.34Å; E366-A369 PolarHBondContact O-N 2.88Å; I367-A369 VanDerWaalsContact C-N 3.35Å; I367-A369 PolarHBondContact O-N 3.35Å
370K89.1Confident86.2Confident100 Ų10064.3 Ų64.344%0.43532%0.324SS..Hα-helixtrans-76.7-25.8174.2-64.2-62.3-178.2-174.20113.1V329 A330 E366 I367 H368 P373V329-K370 HydrophobicContact CB-CB 4.03Å; V329-K370 HydrophobicContact CG1-CB 4.34Å; V329-K370 HydrophobicContact CG2-CB 4.45Å; A330-K370 WeakPolarHBondContact CB-O 3.36Å; E366-K370 WeakPolarHBondContact O-CG 3.44Å; E366-K370 PolarHBondContact O-N 2.89Å; I367-K370 CarbonylContact O-C 3.58Å; I367-K370 PolarHBondContact O-N 3.37Å; H368-K370 VanDerWaalsContact C-N 3.29Å; H368-K370 PolarHBondContact O-N 3.5Å; K370-P373 WeakPolarHBondContact O-CD 3.43Å
371A89.1Confident85.8Confident1 Ų163.3 Ų63.31%0.00832%0.32CS..Hα-helixtrans-80.1-22.8174.800000113.1V329 L333 W350 I367 H368 P373 F374 V375V329-A371 HydrophobicContact CG1-CB 4.02Å; L333-A371 HydrophobicContact CD1-CB 3.55Å; W350-A371 HydrophobicContact CH2-CB 3.99Å; W350-A371 HydrophobicContact CZ3-CB 3.91Å; I367-A371 WeakPolarHBondContact O-CB 3.42Å; I367-A371 PolarHBondContact O-N 3.07Å; H368-A371 CarbonylContact O-C 3.55Å; H368-A371 PolarHBondContact O-N 3.12Å; H368-A371 VanDerWaalsContact O-N 3.16Å; A371-P373 VanDerWaalsContact C-CD 3.42Å; A371-F374 WeakPolarHBondContact O-CA 3.34Å; A371-F374 WeakPolarHBondContact O-CB 3.5Å; A371-F374 PolarHBondContact O-N 3.42Å; A371-V375 PolarHBondContact O-N 3.18Å
372A87Confident84.8Confident52 Ų5261.8 Ų61.843%0.4332%0.315SS..Hα-helixtrans-51.3-40.7-176.400000115.3H368 F374 V375 K376H368-A372 PolarHBondContact O-N 3.07Å; A372-F374 VanDerWaalsContact C-N 3.28Å; A372-F374 PolarHBondContact O-N 3.4Å; A372-V375 PolarHBondContact O-N 3.09Å; A372-K376 WeakPolarHBondContact O-CB 3.32Å; A372-K376 PolarHBondContact O-N 3.27Å
373P89.7Confident83.2Confident86 Ų8662.1 Ų62.156%0.55832%0.316SS*.Hα-helixtrans-61.7-35.2175.6-2334.8000113.4K370 A371 W377K370-P373 WeakPolarHBondContact O-CD 3.43Å; A371-P373 VanDerWaalsContact C-CD 3.42Å; P373-W377 PolarHBondContact O-N 3.47Å; P373-W377 VanDerWaalsContact O-N 3.13Å
374F89.7Confident81.1Confident10 Ų1070.7 Ų70.74%0.04436%0.356CS..Hα-helixtrans-75-43.7178.1171.8-109.6000111.5A330 L333 K334 Y337 I347 A371 A372 K376 W377 L378A330-F374 HydrophobicContact CB-CB 4.01Å; L333-F374 HydrophobicContact CB-CD1 3.59Å; L333-F374 HydrophobicContact CB-CE1 3.62Å; L333-F374 HydrophobicContact CB-CG 4.29Å; L333-F374 HydrophobicContact CB-CZ 4.36Å; L333-F374 HydrophobicContact CD1-CD1 4.16Å; K334-F374 VanDerWaalsContact CA-CE2 3.48Å; K334-F374 HydrophobicContact CB-CD2 3.91Å; K334-F374 HydrophobicContact CB-CE2 3.67Å; K334-F374 HydrophobicContact CB-CZ 4.46Å; K334-F374 HydrophobicContact CG-CD2 4.39Å; K334-F374 HydrophobicContact CG-CE2 3.94Å; Y337-F374 HydrophobicContact CG-CZ 4.24Å; I347-F374 HydrophobicContact CD1-CE1 4.16Å; I347-F374 HydrophobicContact CD1-CZ 4.45Å; I347-F374 HydrophobicContact CG2-CE1 4.19Å; A371-F374 WeakPolarHBondContact O-CA 3.34Å; A371-F374 WeakPolarHBondContact O-CB 3.5Å; A371-F374 PolarHBondContact O-N 3.42Å; A372-F374 VanDerWaalsContact C-N 3.28Å; A372-F374 PolarHBondContact O-N 3.4Å; F374-K376 VanDerWaalsContact C-N 3.27Å; F374-K376 PolarHBondContact O-N 3.13Å; F374-W377 AromaticContact CD2-CE3 3.8Å; F374-W377 HydrophobicContact CD2-CE3 3.8Å; F374-W377 HydrophobicContact CD2-CZ3 4.25Å; F374-W377 AromaticContact CE2-CE3 3.64Å; F374-W377 HydrophobicContact CE2-CE3 3.64Å; F374-W377 AromaticContact CE2-CZ3 3.63Å; F374-W377 HydrophobicContact CE2-CZ3 3.63Å; F374-W377 WeakPolarHBondContact O-CB 2.78Å; F374-W377 PolarHBondContact O-N 3.01Å; F374-W377 VanDerWaalsContact O-N 3.13Å; F374-L378 HydrophobicContact CD1-CD1 4.1Å; F374-L378 HydrophobicContact CE1-CD1 3.44Å; F374-L378 VanDerWaalsContact CE1-CD1 3.44Å; F374-L378 HydrophobicContact CE1-CG 4.18Å; F374-L378 HydrophobicContact CE2-CD1 4.23Å; F374-L378 HydrophobicContact CE2-CD2 4.35Å; F374-L378 HydrophobicContact CE2-CG 4.1Å; F374-L378 HydrophobicContact CZ-CD1 3.52Å; F374-L378 HydrophobicContact CZ-CD2 4.15Å; F374-L378 HydrophobicContact CZ-CG 3.87Å; F374-L378 PolarHBondContact O-N 2.93Å
375V88.3Confident78.7Confident16 Ų1675.1 Ų75.110%0.09739%0.387CS..Hα-helixtrans-60.7-40.5175.5178.50000110.8I347 F348 A351 A371 A372 L378 K379I347-V375 HydrophobicContact CG2-CG2 4.38Å; F348-V375 HydrophobicContact CD1-CG1 4.05Å; F348-V375 HydrophobicContact CE1-CG1 4.2Å; A351-V375 HydrophobicContact CB-CG1 4.02Å; A351-V375 HydrophobicContact CB-CG2 3.82Å; A371-V375 PolarHBondContact O-N 3.18Å; A372-V375 PolarHBondContact O-N 3.09Å; V375-L378 PolarHBondContact O-N 3.35Å; V375-K379 WeakPolarHBondContact O-CG 3.47Å; V375-K379 PolarHBondContact O-N 2.98Å
376K89.1Confident76.3Confident129 Ų12978.5 Ų78.556%0.56141%0.405SS*.Hα-helixtrans-62-43.8174.5-178.2175.8169.51780111.8A372 F374 L378 K379 E380A372-K376 WeakPolarHBondContact O-CB 3.32Å; A372-K376 PolarHBondContact O-N 3.27Å; F374-K376 VanDerWaalsContact C-N 3.27Å; F374-K376 PolarHBondContact O-N 3.13Å; K376-L378 VanDerWaalsContact C-N 3.33Å; K376-L378 PolarHBondContact O-N 2.89Å; K376-K379 PolarHBondContact O-N 3.33Å; K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 IonicContact NZ-OE1 2.86Å; K376-E380 WeakPolarHBondContact O-CG 3.33Å; K376-E380 PolarHBondContact O-N 3.31Å
377W90.4Very high73.8Confident110 Ų11078.1 Ų78.142%0.41742%0.424SS..Hα-helixtrans-61.3-39.2175.9172.575.8000112.6Y337 P373 F374 A381Y337-W377 HydrophobicContact CD1-CZ3 4.31Å; Y337-W377 HydrophobicContact CE1-CH2 4.21Å; Y337-W377 HydrophobicContact CE1-CZ3 4.23Å; P373-W377 PolarHBondContact O-N 3.47Å; P373-W377 VanDerWaalsContact O-N 3.13Å; F374-W377 AromaticContact CD2-CE3 3.8Å; F374-W377 HydrophobicContact CD2-CE3 3.8Å; F374-W377 HydrophobicContact CD2-CZ3 4.25Å; F374-W377 AromaticContact CE2-CE3 3.64Å; F374-W377 HydrophobicContact CE2-CE3 3.64Å; F374-W377 AromaticContact CE2-CZ3 3.63Å; F374-W377 HydrophobicContact CE2-CZ3 3.63Å; F374-W377 WeakPolarHBondContact O-CB 2.78Å; F374-W377 PolarHBondContact O-N 3.01Å; F374-W377 VanDerWaalsContact O-N 3.13Å; W377-A381 PolarHBondContact O-N 2.91Å; W377-A381 VanDerWaalsContact O-N 3.13Å
378L86.4Confident71.1Confident0 Ų084 Ų840%047%0.465CS..Hα-helixtrans-64.5-45.1174.3-74.7174.5000112.1Y337 E344 I347 F348 F374 V375 K376 E380 A381 E382Y337-L378 HydrophobicContact CD1-CD2 4.35Å; Y337-L378 HydrophobicContact CD2-CD2 4.25Å; Y337-L378 HydrophobicContact CE1-CD2 4.11Å; Y337-L378 HydrophobicContact CE2-CD2 4.01Å; Y337-L378 HydrophobicContact CG-CD2 4.41Å; E344-L378 HydrophobicContact CG-CD2 4.42Å; I347-L378 HydrophobicContact CB-CD1 4.27Å; I347-L378 HydrophobicContact CD1-CD1 3.92Å; I347-L378 HydrophobicContact CG2-CD1 3.74Å; F348-L378 HydrophobicContact CE1-CB 3.85Å; F348-L378 HydrophobicContact CZ-CB 3.8Å; F374-L378 HydrophobicContact CD1-CD1 4.1Å; F374-L378 HydrophobicContact CE1-CD1 3.44Å; F374-L378 VanDerWaalsContact CE1-CD1 3.44Å; F374-L378 HydrophobicContact CE1-CG 4.18Å; F374-L378 HydrophobicContact CE2-CD1 4.23Å; F374-L378 HydrophobicContact CE2-CD2 4.35Å; F374-L378 HydrophobicContact CE2-CG 4.1Å; F374-L378 HydrophobicContact CZ-CD1 3.52Å; F374-L378 HydrophobicContact CZ-CD2 4.15Å; F374-L378 HydrophobicContact CZ-CG 3.87Å; F374-L378 PolarHBondContact O-N 2.93Å; V375-L378 PolarHBondContact O-N 3.35Å; K376-L378 VanDerWaalsContact C-N 3.33Å; K376-L378 PolarHBondContact O-N 2.89Å; L378-E380 VanDerWaalsContact C-N 3.34Å; L378-E380 PolarHBondContact O-N 2.98Å; L378-A381 WeakPolarHBondContact O-CA 3.22Å; L378-A381 WeakPolarHBondContact O-CB 3.37Å; L378-A381 PolarHBondContact O-N 3.19Å; L378-E382 PolarHBondContact O-N 3.41Å
379K83Confident68.5Low94 Ų9492 Ų9241%0.40950%0.503SS..Hα-helixtrans-62.6-39.8177.7-69-170.1177.7-161.20112.7F348 V375 K376 A381 E382 E383F348-K379 HydrophobicContact CD1-CG 4.13Å; F348-K379 HydrophobicContact CE1-CD 4.31Å; F348-K379 HydrophobicContact CE1-CG 3.41Å; F348-K379 VanDerWaalsContact CE1-CG 3.41Å; F348-K379 HydrophobicContact CZ-CG 3.89Å; V375-K379 WeakPolarHBondContact O-CG 3.47Å; V375-K379 PolarHBondContact O-N 2.98Å; K376-K379 PolarHBondContact O-N 3.33Å; K379-A381 PolarHBondContact O-N 3.17Å; K379-E382 PolarHBondContact O-N 3.04Å; K379-E383 PolarHBondContact O-N 3.01Å; K379-E383 VanDerWaalsContact O-N 3.1Å
380E84.4Confident66Low106 Ų10697.7 Ų97.750%0.49552%0.518SS..Hα-helixtrans-65.9-27.4174.6-72.7174.8176.700112.1K376 L378K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 IonicContact NZ-OE1 2.86Å; K376-E380 WeakPolarHBondContact O-CG 3.33Å; K376-E380 PolarHBondContact O-N 3.31Å; L378-E380 VanDerWaalsContact C-N 3.34Å; L378-E380 PolarHBondContact O-N 2.98Å
381A73.2Confident63.2Low49 Ų49101.2 Ų101.241%0.40554%0.536SS..Hα-helixtrans-78.3-32.717500000112.9W377 L378 K379W377-A381 PolarHBondContact O-N 2.91Å; W377-A381 VanDerWaalsContact O-N 3.13Å; L378-A381 WeakPolarHBondContact O-CA 3.22Å; L378-A381 WeakPolarHBondContact O-CB 3.37Å; L378-A381 PolarHBondContact O-N 3.19Å; K379-A381 PolarHBondContact O-N 3.17Å
382E57.2Low60.6Low83 Ų83109 Ų10939%0.38857%0.572SS.*Hα-helixtrans-74.5-34.3174.8-80.5-165.7145.300113.6E344 F348 L378 K379 E384 S385E344-E382 WeakPolarHBondContact OE2-CG 3.39Å; F348-E382 HydrophobicContact CE2-CG 4.39Å; F348-E382 WeakPolarHBondContact CE2-OE2 3.16Å; F348-E382 HydrophobicContact CZ-CG 4.49Å; F348-E382 WeakPolarHBondContact CZ-OE2 3.49Å; L378-E382 PolarHBondContact O-N 3.41Å; K379-E382 PolarHBondContact O-N 3.04Å; E382-E384 PolarHBondContact O-N 2.96Å; E382-E384 VanDerWaalsContact O-N 3.07Å; E382-S385 CarbonylContact O-C 3.59Å; E382-S385 WeakPolarHBondContact O-CA 3.45Å; E382-S385 PolarHBondContact O-N 2.79Å
383E47.6Very low57.9Low168 Ų168114.7 Ų114.779%0.78559%0.59SS**THydrogen-bonded Turntrans-63.9-12.3178.4-80.6-172.1165.800113.4K379K379-E383 PolarHBondContact O-N 3.01Å; K379-E383 VanDerWaalsContact O-N 3.1Å
384E38.8Very low55.3Low188 Ų188118 Ų11888%0.87960%0.597SS**THydrogen-bonded Turntrans-89.6-3.9168.8-69.4-161.4157.800114.2E382E382-E384 PolarHBondContact O-N 2.96Å; E382-E384 VanDerWaalsContact O-N 3.07Å
385S33.9Very low52.5Low93 Ų93125 Ų12565%0.6563%0.631SS**SBendtrans-13271.9-178.4178.30000110.4E382 G387E382-S385 CarbonylContact O-C 3.59Å; E382-S385 WeakPolarHBondContact O-CA 3.45Å; E382-S385 PolarHBondContact O-N 2.79Å; S385-G387 PolarHBondContact O-N 3.35Å
386E34.7Very low49.9Very low189 Ų189131.7 Ų131.788%0.88367%0.666SS**  trans-45.3130.3-176.6-70.7-171.6159.400115.4
387G36.7Very low47.1Very low79 Ų79130 Ų13081%0.81466%0.663SS**  89.793.8127.200000117.8S385S385-G387 PolarHBondContact O-N 3.35Å
388S29Very low44.4Very low123 Ų123133.9 Ų133.986%0.8669%0.686SS**  trans-145.4133.6154.1570000112
389E33.3Very low42Very low190 Ų190137.3 Ų137.389%0.88870%0.704SS**  trans-65.8140.9-164-63.5165.8158.400113.6E391E389-E391 PolarHBondContact O-N 2.85Å
390E34.7Very low39.8Very low186 Ų186137.1 Ų137.187%0.86971%0.71SS**  trans-70.4112.1173-64.4172.317100110.1
391E30.6Very low37.6Very low173 Ų173139.2 Ų139.281%0.80872%0.72SS**  trans-108.397157.8-72-168.3166.300108.4E389 E393E389-E391 PolarHBondContact O-N 2.85Å; E391-E393 PolarHBondContact O-N 3.14Å; E391-E393 VanDerWaalsContact O-N 3.17Å
392E35.3Very low36Very low164 Ų164139.8 Ų139.877%0.76672%0.718SS**  trans-71.195.1166.2-69.6-173.1147.700109.2
393E29.4Very low34.9Very low173 Ų173140.5 Ų140.581%0.80873%0.728SS**  trans-86.5100.3158.2-74.8-168.2156.900108.8E391 E395E391-E393 PolarHBondContact O-N 3.14Å; E391-E393 VanDerWaalsContact O-N 3.17Å; E393-E395 PolarHBondContact O-N 2.94Å; E393-E395 VanDerWaalsContact O-N 3.15Å
394E35.1Very low34.2Very low154 Ų154138 Ų13872%0.7271%0.713SS**  trans-70.298.1165.1-67.5-144.4142.300110
395E31.4Very low33.8Very low159 Ų159132 Ų13274%0.74369%0.692SS**  trans-95.594.3153.1-79.4-173.1157.600108.5E393 D397E393-E395 PolarHBondContact O-N 2.94Å; E393-E395 VanDerWaalsContact O-N 3.15Å; E395-D397 PolarHBondContact O-N 2.84Å
396D33.2Very low33.8Very low155 Ų155131 Ų13183%0.82968%0.684SS**  trans-63.774.5155-92.4-28.4000108.6E398D396-E398 PolarHBondContact O-N 3.07Å
397D31Very low33.8Very low95 Ų95126.5 Ų126.551%0.50867%0.674SS.*  trans-68.4122.1160.9-103.6-13.9000107K305 E395 N399K305-D397 IonicContact NZ-OD2 3.72Å; K305-D397 PolarHBondContact NZ-OD2 3.3Å; E395-D397 PolarHBondContact O-N 2.84Å; D397-N399 PolarHBondContact O-N 3.38Å
398E33.4Very low33.5Very low191 Ų191126.6 Ų126.689%0.89367%0.667SS**  trans-51.888163-79.3179.8137.600109D396 V400D396-E398 PolarHBondContact O-N 3.07Å; E398-V400 VanDerWaalsContact C-N 3.29Å; E398-V400 PolarHBondContact O-N 3.14Å
399N36.9Very low34Very low71 Ų71133.1 Ų133.138%0.3867%0.673SS.*  trans-72.187-178.6176.681.2000108K357 D397 E401K357-N399 PolarHBondContact NZ-ND2 3.28Å; D397-N399 PolarHBondContact O-N 3.38Å; N399-E401 PolarHBondContact O-N 3.08Å; N399-E401 VanDerWaalsContact O-N 3.1Å
400V36.2Very low33.9Very low90 Ų90133 Ų13355%0.54567%0.672SS.*  trans-45.7118.5169.7176.80000108.6L232 E398 V402L232-V400 HydrophobicContact CD2-CB 4.38Å; L232-V400 HydrophobicContact CD2-CG1 4.45Å; E398-V400 VanDerWaalsContact C-N 3.29Å; E398-V400 PolarHBondContact O-N 3.14Å; V400-V402 PolarHBondContact O-N 2.94Å
401E38.6Very low33.8Very low151 Ų151130.4 Ų130.471%0.70666%0.663SS**  trans-85.594.5-167.8-157.4-179.6-151.800109.5N399 V403N399-E401 PolarHBondContact O-N 3.08Å; N399-E401 VanDerWaalsContact O-N 3.1Å; E401-V403 HydrophobicContact CG-CG2 4.05Å
402V38.3Very low33.7Very low60 Ų60132.1 Ų132.136%0.36467%0.668SS.*  trans-99.288.7169.5-171.30000108.3E233 V400 Y404E233-V402 HydrophobicContact CG-CB 4.44Å; E233-V402 HydrophobicContact CG-CG1 4.01Å; E233-V402 HydrophobicContact CG-CG2 3.56Å; V400-V402 PolarHBondContact O-N 2.94Å; V402-Y404 PolarHBondContact O-N 3.39Å
403V33.9Very low33.3Very low99 Ų99130.5 Ų130.560%0.667%0.669SS**  trans-75.4101.6170.5-178.60000108.1E401 S405E401-V403 HydrophobicContact CG-CG2 4.05Å; V403-S405 PolarHBondContact O-N 3.41Å
404Y33.7Very low33.3Very low116 Ų116131.2 Ų131.246%0.45567%0.672SS.*  trans-73.8109172.3-167.8-101.7000109.8E278 V402 S406E278-Y404 VanDerWaalsContact OE1-CE1 3.25Å; E278-Y404 WeakPolarHBondContact OE1-CE1 3.24Å; V402-Y404 PolarHBondContact O-N 3.39Å; Y404-S406 PolarHBondContact O-N 3.43Å
405S30.4Very low32.8Very low62 Ų62129.9 Ų129.943%0.43468%0.675SS.*  trans-79.3116.1174.193.80000109.7V403 S407V403-S405 PolarHBondContact O-N 3.41Å; S405-S407 PolarHBondContact O-N 3.18Å
406S33.4Very low32.7Very low70 Ų70129 Ų12949%0.4968%0.68SS.*  trans-74.924.2-178.8550000114Y404Y404-S406 PolarHBondContact O-N 3.43Å
407S34.8Very low32.6Very low95 Ų95130.2 Ų130.266%0.66468%0.678SS**SBendtrans-136.3108.2-174.8-150.30000110.8S405S405-S407 PolarHBondContact O-N 3.18Å
408A31.2Very low32.5Very low81 Ų81131.4 Ų131.467%0.66969%0.691SS**  trans72106.2166.300000118.1E410A408-E410 PolarHBondContact O-N 2.89Å
409R39.8Very low32.3Very low261 Ų261130.3 Ų130.399%0.98569%0.692SS**SBend35.3-4.5125.7-96178.5171.2173.3-3.1124.3
410E30.7Very low31.9Very low186 Ų186132.5 Ų132.587%0.86971%0.707SS**SBendtrans-169.5127.3171.3-105163.5-15200107.5A408A408-E410 PolarHBondContact O-N 2.89Å
411L33Very low31.6Very low133 Ų133133.7 Ų133.770%0.69672%0.717SS**  trans-91.4134-177-70.8166.7000111.4
412K27.6Very low31.2Very low208 Ų208135.5 Ų135.590%0.90473%0.726SS**  trans-106.7138.7166.1-83.9-176.5178.1177.80110.1
413V27.7Very low30.9Very low131 Ų131141.5 Ų141.579%0.79475%0.747SS**  trans-86.9130177.6178.60000109.7T415V413-T415 HydrophobicContact CG1-CG2 4.49Å
414E28.4Very low30.7Very low187 Ų187145.3 Ų145.387%0.87476%0.758SS**  trans-125.7123.5157.2-80.3-168.6167.600109.7
415T24.9Very low30.7Very low127 Ų127147.5 Ų147.578%0.77977%0.772SS**PPolyproline II helixtrans-85.1117.1172.150.30000109.4V413V413-T415 HydrophobicContact CG1-CG2 4.49Å
416V30.1Very low30.8Very low140 Ų140151.2 Ų151.285%0.84879%0.787SS**PPolyproline II helixtrans-83.6123.1168.5-175.90000108.4
417K29.7Very low31Very low180 Ų180154.9 Ų154.978%0.78380%0.802SS**PPolyproline II helixtrans-71.7148.3174-74.4179.4178.7175.80110.4D419K417-D419 PolarHBondContact O-N 3.32Å
418P30.4Very low31.4Very low121 Ų121157.4 Ų157.479%0.78681%0.806SS**PPolyproline II helixtrans-72.1124.4176.128.5-31.8000110.9T420P418-T420 PolarHBondContact O-N 3.39Å
419D28.7Very low31.9Very low168 Ų168160.8 Ų160.890%0.89881%0.813SS**PPolyproline II helixtrans-65.6124.4167.6-94.3-42.6000109.7K417K417-D419 PolarHBondContact O-N 3.32Å
420T28.4Very low32.2Very low116 Ų116155.8 Ų155.871%0.71280%0.804SS**PPolyproline II helixtrans-85.2135.5170.9-48.30000107.4P418 E422P418-T420 PolarHBondContact O-N 3.39Å; T420-E422 PolarHBondContact O-N 3.12Å; T420-E422 VanDerWaalsContact O-N 3.14Å
421P30.9Very low33Very low116 Ų116154.8 Ų154.875%0.75381%0.805SS**  trans-73.4109.3174.629-29.9000108.7K423P421-K423 PolarHBondContact O-N 2.87Å
422E30.4Very low33.9Very low189 Ų189152.5 Ų152.588%0.88381%0.805SS**  trans-64.3123.8164.9-74.4-174.515900108.5T420 E424T420-E422 PolarHBondContact O-N 3.12Å; T420-E422 VanDerWaalsContact O-N 3.14Å; E422-E424 PolarHBondContact O-N 2.81Å
423K30.4Very low34.5Very low185 Ų185154.3 Ų154.380%0.80482%0.822SS**  trans-72.2114.3164.7-72.1177.8175.6-179.80107.1P421 E425P421-K423 PolarHBondContact O-N 2.87Å; K423-E425 PolarHBondContact O-N 3.09Å
424E30.7Very low34.8Very low179 Ų179155.5 Ų155.584%0.83682%0.823SS**  trans-68.5103.9158.8-72.1179.3156.100107.3E422 D426E422-E424 PolarHBondContact O-N 2.81Å; E424-D426 PolarHBondContact O-N 2.91Å
425E32.3Very low35.1Very low162 Ų162153.8 Ų153.876%0.75782%0.821SS**  trans-81.1102.1160.1-72.4-172.116200107K423 D427K423-E425 PolarHBondContact O-N 3.09Å; E425-D427 PolarHBondContact O-N 3.12Å
426D34.1Very low35.7Very low140 Ų140155.3 Ų155.375%0.74982%0.823SS**  trans-70.191.2166.3-78.5-40.2000109.1E424 I428E424-D426 PolarHBondContact O-N 2.91Å; D426-I428 PolarHBondContact O-N 3.12Å; D426-I428 VanDerWaalsContact O-N 3.12Å
427D37.2Very low36Very low148 Ų148156.2 Ų156.279%0.79182%0.822SS**  trans-7195.4162.6-88-27.8000109.1E425 D429E425-D427 PolarHBondContact O-N 3.12Å; D427-D429 PolarHBondContact O-N 3.32Å
428I42.6Very low36.4Very low148 Ų148154.7 Ų154.776%0.75982%0.824SS**  trans-77.6102.2168.6-61.2167.9000107.8D426 I430D426-I428 PolarHBondContact O-N 3.12Å; D426-I428 VanDerWaalsContact O-N 3.12Å; I428-I430 PolarHBondContact O-N 3.11Å; I428-I430 VanDerWaalsContact O-N 3.14Å
429D42.7Very low36.8Very low152 Ų152156.9 Ų156.981%0.81383%0.826SS**  trans-62.2105.4170.2-96.4-33000110.8D427 D431D427-D429 PolarHBondContact O-N 3.32Å; D429-D431 VanDerWaalsContact C-N 3.33Å; D429-D431 PolarHBondContact O-N 3.37Å
430I45.8Very low37.4Very low156 Ų156156.1 Ų156.180%0.882%0.821SS**  trans-92.430.5-176.7-145169000113.7I428I428-I430 PolarHBondContact O-N 3.11Å; I428-I430 VanDerWaalsContact O-N 3.14Å
431D47.3Very low38.1Very low165 Ų165159.2 Ų159.288%0.88283%0.83SS**  trans-133.336.8178.3-92.9-24.2000113.6D429D429-D431 VanDerWaalsContact C-N 3.33Å; D429-D431 PolarHBondContact O-N 3.37Å
432A52.8Low38.7Very low85 Ų85162.8 Ų162.870%0.70284%0.836SS**  trans-13584.9170.900000112.8
433I38.5Very low39.5Very low245 Ų245160.5 Ų160.5100%1.25683%0.832SS**  trans73.20155.7-63.1176.1000118.1

Retrieved 433 of 433 residues in 98.7 ms (Link to these results)

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