SKP1_RAT Loading...

S-phase kinase-associated protein 1

Essential component of the SCF (SKP1-CUL1-F-box protein) ubiquitin ligase complex, which mediates the ubiquitination of proteins involved in cell cycle progression, signal transduction and transcription. In the SCF complex, serves as an adapter that links the F-box protein to CUL1. The functional specificity of the SCF complex depends on the F-box protein as substrate recognition component. SCF(BTRC) and SCF(FBXW11) direct ubiquitination of CTNNB1 and participate in Wnt signaling. SCF(FBXW11) directs ubiquitination of phosphorylated NFKBIA. SCF(BTRC) directs ubiquitination of NFKBIB, NFKBIE, ATF4, SMAD3, SMAD4, CDC25A, FBXO5, CEP68 and probably NFKB2. SCF(SKP2) directs ubiquitination of phosphorylated CDKN1B/p27kip and is involved in regulation of G1/S transition. SCF(SKP2) directs ubiquitination of ORC1, CDT1, RBL2, ELF4, CDKN1A, RAG2, FOXO1A, and probably MYC and TAL1. SCF(FBXW7) directs ubiquitination of cyclin E, NOTCH1 released notch intracellular domain (NICD), and probably PSEN1. SCF(FBXW2) directs ubiquitination of GCM1. SCF(FBXO32) directs ubiquitination of MYOD1. SCF(FBXO7) directs ubiquitination of BIRC2 and DLGAP5. SCF(FBXO33) directs ubiquitination of YBX1. SCF(FBXO11) directs ubiquitination of BCL6 and DTL but does not seem to direct ubiquitination of TP53. SCF(BTRC) mediates the ubiquitination of NFKBIA at 'Lys-21' and 'Lys-22'; the degradation frees the associated NFKB1-RELA dimer to translocate into the nucleus and to activate transcription. SCF(CCNF) directs ubiquitination of CCP110. SCF(FBXL3) and SCF(FBXL21) direct ubiquitination of CRY1 and CRY2. SCF(FBXO9) directs ubiquitination of TTI1 and TELO2. SCF(FBXO10) direct ubiquitination of BCL2. Core component of the Cul7-RING(FBXW8) ubiquitin ligase complex, which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Also acts as a core component of the Cul1-RING(FBXL4) ubiquitin ligase complex, which mediates the ubiquitination and subsequent proteasomal degradation of BNIP3 and BNIP3L (By similarity).

AlphaFold DB , UniProt , Accession Q6PEC4, Species RAT (Rattus norvegicus, Rat), Gene Skp1, Length 163 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
1M72.7Confident92.9Very high166 Ų16660.6 Ų60.682%0.81835%0.347SS*.  0143.50-66-161.8-7500106.4D17M1-D17 WeakPolarHBondContact CB-OD2 3.42Å; M1-D17 WeakPolarHBondContact CE-OD2 3.34Å
2P86.7Confident93.3Very high69 Ų6964.6 Ų64.645%0.44836%0.36SS..  trans-62.2142-179.527.6-33.6000109.9V18P2-V18 HydrophobicContact CB-CB 4.5Å; P2-V18 HydrophobicContact CB-CG2 3.82Å; P2-V18 HydrophobicContact CG-CB 4.08Å; P2-V18 HydrophobicContact CG-CG2 3.93Å; P2-V18 WeakPolarHBondContact O-CG2 3.43Å; P2-V18 PolarHBondContact O-N 2.89Å
3T90.5Very high93.7Very high70 Ų7066.5 Ų66.543%0.42937%0.368SS..EExtended strand (participates in β ladder)trans-121.3153.4-178.853.30000110.4E15 V16T3-E15 WeakPolarHBondContact CB-OE1 3.41Å; T3-E15 HydrophobicContact CG2-CG 4.08Å; T3-E15 PolarHBondContact OG1-OE1 3.23Å; T3-V16 CarbonylContact C-O 3.57Å; T3-V16 VanDerWaalsContact CA-O 3.26Å; T3-V16 WeakPolarHBondContact CA-O 3.42Å
4I91.5Very high93.9Very high16 Ų1663.6 Ų63.68%0.08235%0.349CS..EExtended strand (participates in β ladder)trans-125155.4173.471.6175.2000109.8L6 E15 V16 V18 A21 I27 L31I4-L6 HydrophobicContact CD1-CD2 3.64Å; I4-L6 HydrophobicContact CD1-CG 4.23Å; I4-L6 HydrophobicContact CG1-CD2 4.13Å; I4-L6 HydrophobicContact CG1-CG 4.3Å; I4-E15 WeakPolarHBondContact O-CA 3.36Å; I4-V16 PolarHBondContact N-O 3.12Å; I4-V16 PolarHBondContact O-N 2.92Å; I4-V18 HydrophobicContact CG2-CG2 3.53Å; I4-A21 HydrophobicContact CD1-CB 3.37Å; I4-A21 HydrophobicContact CG1-CB 4.09Å; I4-I27 HydrophobicContact CD1-CG2 3.79Å; I4-L31 HydrophobicContact CD1-CD1 4.21Å; I4-L31 HydrophobicContact CG2-CD1 4.35Å; I4-L31 HydrophobicContact CG2-CD2 4.08Å
5K94.2Very high94Very high68 Ų6868.7 Ų68.730%0.29637%0.369SS..EExtended strand (participates in β ladder)trans-99123.3173.5-71.4166.7-178.91620109.8I13 F14 D42 P44 V45K5-I13 HydrophobicContact CB-CG2 3.89Å; K5-I13 HydrophobicContact CD-CG2 4.45Å; K5-I13 HydrophobicContact CG-CG2 4.03Å; K5-F14 CarbonylContact C-O 3.56Å; K5-F14 WeakPolarHBondContact CA-O 3.46Å; K5-D42 WeakPolarHBondContact CD-O 3.08Å; K5-D42 PolarHBondContact NZ-O 2.83Å; K5-D42 IonicContact NZ-OD1 2.8Å; K5-D42 PolarHBondContact NZ-OD1 3.45Å; K5-P44 HydrophobicContact CB-CB 3.93Å; K5-P44 CarbonylContact O-C 3.57Å; K5-P44 WeakPolarHBondContact O-CA 3.4Å; K5-V45 PolarHBondContact O-N 3.39Å
6L95.9Very high94Very high4 Ų464.8 Ų64.82%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-107.6126.3172.3-58.5-177.7000109.2I4 I13 F14 V16 I27 V45 L47 L55I4-L6 HydrophobicContact CD1-CD2 3.64Å; I4-L6 HydrophobicContact CD1-CG 4.23Å; I4-L6 HydrophobicContact CG1-CD2 4.13Å; I4-L6 HydrophobicContact CG1-CG 4.3Å; L6-I13 CarbonylContact O-C 3.52Å; L6-I13 WeakPolarHBondContact O-CA 3.36Å; L6-F14 PolarHBondContact N-O 2.87Å; L6-F14 PolarHBondContact O-N 2.85Å; L6-V16 HydrophobicContact CD1-CB 4.44Å; L6-V16 HydrophobicContact CD1-CG2 3.94Å; L6-V16 HydrophobicContact CG-CG2 4.3Å; L6-I27 HydrophobicContact CD1-CD1 4.03Å; L6-I27 HydrophobicContact CD2-CD1 4.07Å; L6-V45 HydrophobicContact CD2-CB 3.82Å; L6-V45 HydrophobicContact CD2-CG1 4.21Å; L6-V45 HydrophobicContact CD2-CG2 4.3Å; L6-L47 HydrophobicContact CB-CD1 4.12Å; L6-L47 HydrophobicContact CD1-CD1 4.18Å; L6-L47 HydrophobicContact CD2-CD1 4.35Å; L6-L47 HydrophobicContact CG-CD1 4.46Å; L6-L55 HydrophobicContact CB-CD2 4.24Å; L6-L55 HydrophobicContact CD1-CD1 4.43Å
7Q97.6Very high94Very high65 Ų6562.3 Ų62.330%0.30434%0.335SS..EExtended strand (participates in β ladder)trans-102.8120.2176.1179.9174.443.800110.7E12 I13 P44 V45 L47Q7-E12 WeakPolarHBondContact CA-O 3.36Å; Q7-I13 HydrophobicContact CB-CG1 4.33Å; Q7-I13 HydrophobicContact CG-CG1 4.39Å; Q7-P44 HydrophobicContact CB-CB 3.96Å; Q7-P44 HydrophobicContact CB-CG 4.47Å; Q7-V45 PolarHBondContact N-O 3.1Å; Q7-L47 WeakPolarHBondContact O-CA 3.44Å; Q7-L47 WeakPolarHBondContact O-CB 3.31Å; Q7-L47 PolarHBondContact O-N 2.9Å
8S98.5Very high93.9Very high4 Ų458.9 Ų58.93%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-68.5161.8172.156.10000112.8D10 G11 E12 V50S8-D10 VanDerWaalsContact CB-OD1 3.26Å; S8-D10 WeakPolarHBondContact CB-OD1 3.42Å; S8-D10 PolarHBondContact O-N 2.89Å; S8-D10 PolarHBondContact OG-OD1 3.2Å; S8-G11 WeakPolarHBondContact O-CA 3.21Å; S8-G11 PolarHBondContact O-N 3.3Å; S8-E12 PolarHBondContact N-O 2.99Å; S8-E12 WeakPolarHBondContact OG-CA 3.49Å; S8-E12 WeakPolarHBondContact OG-CB 3.34Å; S8-E12 PolarHBondContact OG-N 2.94Å; S8-E12 PolarHBondContact OG-O 2.73Å; S8-V50 CarbonylContact C-O 3.57Å; S8-V50 WeakPolarHBondContact CA-O 3.26Å; S8-V50 WeakPolarHBondContact CB-O 3.13Å
9S98.1Very high93.8Very high65 Ų6561.4 Ų61.446%0.45533%0.327SS..THydrogen-bonded Turntrans-58.3-26.8179.264.60000114.8L47 P48 V50 N51S9-L47 PolarHBondContact N-O 3.22Å; S9-P48 WeakPolarHBondContact CB-O 3.45Å; S9-V50 PolarHBondContact N-O 3.46Å; S9-V50 PolarHBondContact OG-O 3.38Å; S9-N51 WeakPolarHBondContact OG-CA 3.31Å; S9-N51 PolarHBondContact OG-N 3.01Å
10D98.1Very high93.8Very high103 Ų10359.3 Ų59.355%0.55132%0.315SS*.THydrogen-bonded Turntrans-95.18.3176.148.2-17.3000113.1S8 N51 A52S8-D10 VanDerWaalsContact CB-OD1 3.26Å; S8-D10 WeakPolarHBondContact CB-OD1 3.42Å; S8-D10 PolarHBondContact O-N 2.89Å; S8-D10 PolarHBondContact OG-OD1 3.2Å; D10-N51 WeakPolarHBondContact OD1-CA 3.4Å; D10-A52 WeakPolarHBondContact OD1-CB 3.43Å; D10-A52 PolarHBondContact OD1-N 3.28Å; D10-A52 PolarHBondContact OD2-N 2.84Å
11G97.6Very high93.8Very high37 Ų3756.7 Ų56.738%0.38130%0.302SS..SBendtrans91.5-2.4165.300000115.7S8S8-G11 WeakPolarHBondContact O-CA 3.21Å; S8-G11 PolarHBondContact O-N 3.3Å
12E98.3Very high94.8Very high108 Ų10851.7 Ų51.751%0.50528%0.276SS..  trans-70.4137174.3-170.4175.4178.200110.5Q7 S8 F14 A52Q7-E12 WeakPolarHBondContact CA-O 3.36Å; S8-E12 PolarHBondContact N-O 2.99Å; S8-E12 WeakPolarHBondContact OG-CA 3.49Å; S8-E12 WeakPolarHBondContact OG-CB 3.34Å; S8-E12 PolarHBondContact OG-N 2.94Å; S8-E12 PolarHBondContact OG-O 2.73Å; E12-F14 HydrophobicContact CB-CE2 3.9Å; E12-F14 HydrophobicContact CB-CZ 4.37Å; E12-F14 HydrophobicContact CG-CD2 4.44Å; E12-F14 HydrophobicContact CG-CE2 3.75Å; E12-F14 HydrophobicContact CG-CZ 3.9Å; E12-A52 HydrophobicContact CB-CB 3.8Å; E12-A52 HydrophobicContact CG-CB 4.48Å; E12-A52 WeakPolarHBondContact OE2-CB 3.42Å
13I97.7Very high95.1Very high90 Ų9050.5 Ų50.546%0.46227%0.265SS..EExtended strand (participates in β ladder)trans-105.3130.6-179-61.4173.6000109.3K5 L6 Q7 P44K5-I13 HydrophobicContact CB-CG2 3.89Å; K5-I13 HydrophobicContact CD-CG2 4.45Å; K5-I13 HydrophobicContact CG-CG2 4.03Å; L6-I13 CarbonylContact O-C 3.52Å; L6-I13 WeakPolarHBondContact O-CA 3.36Å; Q7-I13 HydrophobicContact CB-CG1 4.33Å; Q7-I13 HydrophobicContact CG-CG1 4.39Å; I13-P44 HydrophobicContact CD1-CB 4.49Å; I13-P44 HydrophobicContact CD1-CG 4.39Å
14F97.2Very high95.4Very high25 Ų2547.3 Ų47.311%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-115125.7178.1-64.2-96.7000109.5K5 L6 E12 V16 A52 L55 K56 I59K5-F14 CarbonylContact C-O 3.56Å; K5-F14 WeakPolarHBondContact CA-O 3.46Å; L6-F14 PolarHBondContact N-O 2.87Å; L6-F14 PolarHBondContact O-N 2.85Å; E12-F14 HydrophobicContact CB-CE2 3.9Å; E12-F14 HydrophobicContact CB-CZ 4.37Å; E12-F14 HydrophobicContact CG-CD2 4.44Å; E12-F14 HydrophobicContact CG-CE2 3.75Å; E12-F14 HydrophobicContact CG-CZ 3.9Å; F14-V16 HydrophobicContact CB-CG2 4.08Å; F14-A52 HydrophobicContact CE2-CB 3.99Å; F14-A52 HydrophobicContact CZ-CB 3.93Å; F14-L55 HydrophobicContact CD2-CD2 3.54Å; F14-L55 HydrophobicContact CD2-CG 4.12Å; F14-L55 HydrophobicContact CE2-CB 4.42Å; F14-L55 HydrophobicContact CE2-CD2 3.88Å; F14-L55 HydrophobicContact CE2-CG 4.31Å; F14-L55 HydrophobicContact CG-CD2 4.28Å; F14-K56 HydrophobicContact CE1-CB 3.96Å; F14-K56 HydrophobicContact CE1-CG 4.42Å; F14-K56 HydrophobicContact CZ-CB 4.35Å; F14-I59 HydrophobicContact CB-CD1 3.73Å; F14-I59 HydrophobicContact CD1-CD1 3.83Å; F14-I59 HydrophobicContact CG-CD1 3.83Å
15E95.2Very high95.6Very high140 Ų14049.4 Ų49.465%0.65426%0.258SS*.EExtended strand (participates in β ladder)trans-87.8119.4169.4-169.4173.7177.300109.1T3 I4T3-E15 WeakPolarHBondContact CB-OE1 3.41Å; T3-E15 HydrophobicContact CG2-CG 4.08Å; T3-E15 PolarHBondContact OG1-OE1 3.23Å; I4-E15 WeakPolarHBondContact O-CA 3.36Å
16V94.5Very high95.6Very high7 Ų749 Ų494%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-128.5139.8-172.4-171.30000109.1T3 I4 L6 F14 V18 I20 A21 I59T3-V16 CarbonylContact C-O 3.57Å; T3-V16 VanDerWaalsContact CA-O 3.26Å; T3-V16 WeakPolarHBondContact CA-O 3.42Å; I4-V16 PolarHBondContact N-O 3.12Å; I4-V16 PolarHBondContact O-N 2.92Å; L6-V16 HydrophobicContact CD1-CB 4.44Å; L6-V16 HydrophobicContact CD1-CG2 3.94Å; L6-V16 HydrophobicContact CG-CG2 4.3Å; F14-V16 HydrophobicContact CB-CG2 4.08Å; V16-V18 PolarHBondContact O-N 3.48Å; V16-I20 HydrophobicContact CG1-CB 3.97Å; V16-I20 HydrophobicContact CG1-CG2 3.82Å; V16-A21 HydrophobicContact CG1-CB 4.37Å; V16-I59 HydrophobicContact CG1-CG2 4.29Å; V16-I59 HydrophobicContact CG2-CD1 3.58Å; V16-I59 HydrophobicContact CG2-CG1 3.96Å; V16-I59 HydrophobicContact CG2-CG2 4.31Å
17D93Very high95.5Very high22 Ų2249.1 Ų49.112%0.11826%0.262CS..EExtended strand (participates in β ladder)trans-58.1135.5171.2-173.9-81.6000110.8M1 E19 I20 A21M1-D17 WeakPolarHBondContact CB-OD2 3.42Å; M1-D17 WeakPolarHBondContact CE-OD2 3.34Å; D17-E19 PolarHBondContact O-N 3.37Å; D17-E19 WeakPolarHBondContact OD1-CA 3.3Å; D17-E19 VanDerWaalsContact OD1-CB 3.28Å; D17-E19 WeakPolarHBondContact OD1-CB 3.42Å; D17-E19 PolarHBondContact OD1-N 3.43Å; D17-I20 HydrophobicContact CB-CB 4.18Å; D17-I20 HydrophobicContact CB-CD1 3.81Å; D17-I20 HydrophobicContact CB-CG1 3.92Å; D17-I20 PolarHBondContact O-N 3.5Å; D17-I20 VanDerWaalsContact O-N 3.1Å; D17-I20 PolarHBondContact OD1-N 3.38Å; D17-A21 PolarHBondContact O-N 2.89Å
18V91.9Very high95.3Very high2 Ų249.9 Ų49.91%0.01227%0.265CS..Hα-helixtrans-54.2-40.5179.91680000111.9P2 I4 V16 I20 A21 K22 L31P2-V18 HydrophobicContact CB-CB 4.5Å; P2-V18 HydrophobicContact CB-CG2 3.82Å; P2-V18 HydrophobicContact CG-CB 4.08Å; P2-V18 HydrophobicContact CG-CG2 3.93Å; P2-V18 WeakPolarHBondContact O-CG2 3.43Å; P2-V18 PolarHBondContact O-N 2.89Å; I4-V18 HydrophobicContact CG2-CG2 3.53Å; V16-V18 PolarHBondContact O-N 3.48Å; V18-I20 VanDerWaalsContact C-N 3.35Å; V18-A21 PolarHBondContact O-N 3.32Å; V18-K22 HydrophobicContact CG1-CD 3.95Å; V18-K22 HydrophobicContact CG1-CG 4.27Å; V18-K22 WeakPolarHBondContact O-CB 3.39Å; V18-K22 VanDerWaalsContact O-CG 3.29Å; V18-K22 WeakPolarHBondContact O-CG 3.34Å; V18-K22 PolarHBondContact O-N 3.04Å; V18-L31 HydrophobicContact CG1-CD1 4.32Å
19E92Very high95Very high105 Ų10552.5 Ų52.549%0.49128%0.281SS..Hα-helixtrans-72.7-30.7-177.8-59.6-58.4118.500111.9D17 K22D17-E19 PolarHBondContact O-N 3.37Å; D17-E19 WeakPolarHBondContact OD1-CA 3.3Å; D17-E19 VanDerWaalsContact OD1-CB 3.28Å; D17-E19 WeakPolarHBondContact OD1-CB 3.42Å; D17-E19 PolarHBondContact OD1-N 3.43Å; E19-K22 IonicContact OE1-NZ 2.9Å; E19-K22 PolarHBondContact OE1-NZ 2.88Å
20I94.5Very high94.6Very high19 Ų1951.8 Ų51.810%0.09727%0.271CS..Hα-helixtrans-68.4-44.1170.3-63.4175.2000109.8V16 D17 V18 K22 Q23 C62 T63 K66V16-I20 HydrophobicContact CG1-CB 3.97Å; V16-I20 HydrophobicContact CG1-CG2 3.82Å; D17-I20 HydrophobicContact CB-CB 4.18Å; D17-I20 HydrophobicContact CB-CD1 3.81Å; D17-I20 HydrophobicContact CB-CG1 3.92Å; D17-I20 PolarHBondContact O-N 3.5Å; D17-I20 VanDerWaalsContact O-N 3.1Å; D17-I20 PolarHBondContact OD1-N 3.38Å; V18-I20 VanDerWaalsContact C-N 3.35Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.19Å; I20-Q23 PolarHBondContact O-N 3.13Å; I20-C62 HydrophobicContact CG2-CB 3.65Å; I20-T63 HydrophobicContact CD1-CG2 4.02Å; I20-K66 HydrophobicContact CD1-CD 4.28Å; I20-K66 HydrophobicContact CG1-CB 4.46Å; I20-K66 HydrophobicContact CG1-CD 3.97Å
21A93.8Very high94.1Very high6 Ų647 Ų475%0.0525%0.245CC..Hα-helixtrans-65.5-33.6179.800000113I4 V16 D17 V18 Q23 S24 I27I4-A21 HydrophobicContact CD1-CB 3.37Å; I4-A21 HydrophobicContact CG1-CB 4.09Å; V16-A21 HydrophobicContact CG1-CB 4.37Å; D17-A21 PolarHBondContact O-N 2.89Å; V18-A21 PolarHBondContact O-N 3.32Å; A21-Q23 PolarHBondContact O-N 3.03Å; A21-Q23 VanDerWaalsContact O-N 3.14Å; A21-S24 WeakPolarHBondContact O-CB 3.43Å; A21-S24 PolarHBondContact O-N 3.16Å; A21-I27 HydrophobicContact CB-CG2 4.05Å
22K93.1Very high93.7Very high60 Ų6050.1 Ų50.126%0.26125%0.25SC..THydrogen-bonded Turntrans-65.9-8.4177.8-80.3174.7-179.4165.90114.9V18 E19 I20 S24 K28V18-K22 HydrophobicContact CG1-CD 3.95Å; V18-K22 HydrophobicContact CG1-CG 4.27Å; V18-K22 WeakPolarHBondContact O-CB 3.39Å; V18-K22 VanDerWaalsContact O-CG 3.29Å; V18-K22 WeakPolarHBondContact O-CG 3.34Å; V18-K22 PolarHBondContact O-N 3.04Å; E19-K22 IonicContact OE1-NZ 2.9Å; E19-K22 PolarHBondContact OE1-NZ 2.88Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.19Å; K22-S24 PolarHBondContact O-N 3.28Å; K22-K28 HydrophobicContact CB-CB 4.39Å; K22-K28 HydrophobicContact CG-CB 4.24Å; K22-K28 HydrophobicContact CG-CG 4.18Å
23Q94.1Very high93.2Very high45 Ų4551.2 Ų51.221%0.2126%0.259CS..THydrogen-bonded Turntrans-66.6-23.7167.5-76.8-179.560.100112.9I20 A21 C62I20-Q23 PolarHBondContact O-N 3.13Å; A21-Q23 PolarHBondContact O-N 3.03Å; A21-Q23 VanDerWaalsContact O-N 3.14Å; Q23-C62 HydrophobicContact CB-CB 4.43Å; Q23-C62 PolarHBondContact NE2-O 3.43Å
24S96.2Very high92.5Very high3 Ų352.3 Ų52.32%0.02127%0.265CS..SBendtrans-79.4118.4164.3165.90000108.7A21 K22 T26 I27 K28 L110A21-S24 WeakPolarHBondContact O-CB 3.43Å; A21-S24 PolarHBondContact O-N 3.16Å; K22-S24 PolarHBondContact O-N 3.28Å; S24-T26 PolarHBondContact O-N 3.47Å; S24-T26 PolarHBondContact OG-N 2.91Å; S24-I27 PolarHBondContact O-N 2.91Å; S24-I27 WeakPolarHBondContact OG-CG1 3.34Å; S24-I27 PolarHBondContact OG-N 3.04Å; S24-K28 VanDerWaalsContact O-CB 3.26Å; S24-K28 WeakPolarHBondContact O-CB 3.33Å; S24-K28 PolarHBondContact O-N 3.47Å; S24-L110 WeakPolarHBondContact CA-O 3.49Å; S24-L110 WeakPolarHBondContact CB-O 3.39Å; S24-L110 PolarHBondContact OG-O 3.1Å
25V95.7Very high91.6Very high59 Ų5953.6 Ų53.636%0.35829%0.286SS..Hα-helixtrans-61.4-38.1173.6179.40000110K28 T29 D111V25-K28 PolarHBondContact O-N 2.76Å; V25-T29 PolarHBondContact O-N 3.22Å; V25-T29 PolarHBondContact O-OG1 3.07Å; V25-T29 VanDerWaalsContact O-OG1 3.13Å; V25-D111 HydrophobicContact CB-CB 3.95Å; V25-D111 WeakPolarHBondContact CB-OD2 3.46Å; V25-D111 HydrophobicContact CG2-CB 4.45Å; V25-D111 PolarHBondContact N-O 3.42Å; V25-D111 VanDerWaalsContact N-O 3.12Å
26T94.7Very high90.5Very high60 Ų6048.6 Ų48.637%0.36826%0.263SS..Hα-helixtrans-59.6-50.6177.9-60.40000112S24 M30 Y109 L110S24-T26 PolarHBondContact O-N 3.47Å; S24-T26 PolarHBondContact OG-N 2.91Å; T26-M30 WeakPolarHBondContact O-CB 3.33Å; T26-M30 PolarHBondContact O-N 3.07Å; T26-Y109 PolarHBondContact OG1-O 2.89Å; T26-L110 PolarHBondContact N-O 2.96Å; T26-L110 PolarHBondContact OG1-O 3.08Å
27I93.5Very high89.2Confident6 Ų651.3 Ų51.33%0.03128%0.277CS..Hα-helixtrans-68-41.3179.3-63.9169000110.2I4 L6 A21 S24 T29 M30 L31 L110I4-I27 HydrophobicContact CD1-CG2 3.79Å; L6-I27 HydrophobicContact CD1-CD1 4.03Å; L6-I27 HydrophobicContact CD2-CD1 4.07Å; A21-I27 HydrophobicContact CB-CG2 4.05Å; S24-I27 PolarHBondContact O-N 2.91Å; S24-I27 WeakPolarHBondContact OG-CG1 3.34Å; S24-I27 PolarHBondContact OG-N 3.04Å; I27-T29 PolarHBondContact O-N 2.95Å; I27-M30 HydrophobicContact CG2-CE 4.36Å; I27-M30 PolarHBondContact O-N 3.31Å; I27-L31 HydrophobicContact CG2-CD1 4Å; I27-L31 HydrophobicContact CG2-CG 4.2Å; I27-L31 WeakPolarHBondContact O-CG 3.29Å; I27-L31 PolarHBondContact O-N 2.93Å; I27-L110 HydrophobicContact CD1-CD2 4.27Å; I27-L110 HydrophobicContact CG1-CD2 4.48Å
28K92.8Very high87.7Confident82 Ų8256.3 Ų56.336%0.35730%0.304SS..Hα-helixtrans-55.3-53.7176.8178.3-179.9172.1-177.20111.8K22 S24 V25 M30 L31 E32K22-K28 HydrophobicContact CB-CB 4.39Å; K22-K28 HydrophobicContact CG-CB 4.24Å; K22-K28 HydrophobicContact CG-CG 4.18Å; S24-K28 VanDerWaalsContact O-CB 3.26Å; S24-K28 WeakPolarHBondContact O-CB 3.33Å; S24-K28 PolarHBondContact O-N 3.47Å; V25-K28 PolarHBondContact O-N 2.76Å; K28-M30 VanDerWaalsContact C-N 3.29Å; K28-M30 PolarHBondContact O-N 2.93Å; K28-L31 PolarHBondContact O-N 2.89Å; K28-E32 WeakPolarHBondContact CE-OE1 2.98Å; K28-E32 WeakPolarHBondContact CG-OE1 3.41Å; K28-E32 IonicContact NZ-OE1 3.08Å; K28-E32 WeakPolarHBondContact O-CG 3.3Å; K28-E32 PolarHBondContact O-N 3.36Å
29T92.6Very high86.1Confident59 Ų5965.4 Ų65.436%0.36235%0.346SS..Hα-helixtrans-59.7-41.2179.7-62.50000111.5V25 I27 L31 E32 D33V25-T29 PolarHBondContact O-N 3.22Å; V25-T29 PolarHBondContact O-OG1 3.07Å; V25-T29 VanDerWaalsContact O-OG1 3.13Å; I27-T29 PolarHBondContact O-N 2.95Å; T29-L31 PolarHBondContact O-N 3.19Å; T29-E32 PolarHBondContact O-N 3.43Å; T29-D33 WeakPolarHBondContact O-CB 3.15Å; T29-D33 PolarHBondContact O-N 3.3Å
30M89.8Confident84.4Confident50 Ų5064.3 Ų64.325%0.24636%0.363CS..Hα-helixtrans-64.4-40.9178.2179.6-15874.800112.7T26 I27 K28 L34 V45T26-M30 WeakPolarHBondContact O-CB 3.33Å; T26-M30 PolarHBondContact O-N 3.07Å; I27-M30 HydrophobicContact CG2-CE 4.36Å; I27-M30 PolarHBondContact O-N 3.31Å; K28-M30 VanDerWaalsContact C-N 3.29Å; K28-M30 PolarHBondContact O-N 2.93Å; M30-L34 HydrophobicContact CG-CD1 3.88Å; M30-L34 WeakPolarHBondContact O-CB 3.16Å; M30-L34 VanDerWaalsContact O-CG 3.31Å; M30-L34 WeakPolarHBondContact O-CG 3.45Å; M30-L34 PolarHBondContact O-N 3.11Å; M30-L34 VanDerWaalsContact O-N 3.12Å; M30-V45 HydrophobicContact CE-CB 3.99Å; M30-V45 HydrophobicContact CE-CG1 3.47Å; M30-V45 VanDerWaalsContact CE-CG1 3.47Å; M30-V45 HydrophobicContact CE-CG2 3.27Å; M30-V45 HydrophobicContact SD-CB 4.44Å; M30-V45 HydrophobicContact SD-CG1 3.48Å; M30-V45 WeakPolarHBondContact SD-CG1 3.38Å; M30-V45 HydrophobicContact SD-CG2 4.18Å
31L88.6Confident82.8Confident1 Ų167.8 Ų67.81%0.00538%0.382CS..Hα-helixtrans-65.5-41.2176.2-67.5174.4000111.8I4 V18 I27 K28 T29 G35 M36I4-L31 HydrophobicContact CD1-CD1 4.21Å; I4-L31 HydrophobicContact CG2-CD1 4.35Å; I4-L31 HydrophobicContact CG2-CD2 4.08Å; V18-L31 HydrophobicContact CG1-CD1 4.32Å; I27-L31 HydrophobicContact CG2-CD1 4Å; I27-L31 HydrophobicContact CG2-CG 4.2Å; I27-L31 WeakPolarHBondContact O-CG 3.29Å; I27-L31 PolarHBondContact O-N 2.93Å; K28-L31 PolarHBondContact O-N 2.89Å; T29-L31 PolarHBondContact O-N 3.19Å; L31-G35 PolarHBondContact O-N 2.85Å; L31-G35 VanDerWaalsContact O-N 3.09Å; L31-M36 HydrophobicContact CD2-CB 3.74Å; L31-M36 HydrophobicContact CD2-SD 4.37Å; L31-M36 PolarHBondContact O-N 2.97Å; L31-M36 VanDerWaalsContact O-N 3.1Å
32E88.9Confident81.8Confident103 Ų10373.2 Ų73.248%0.48141%0.41SS..Hα-helixtrans-65.4-41.6177.8-71172.517400111.9K28 T29K28-E32 WeakPolarHBondContact CE-OE1 2.98Å; K28-E32 WeakPolarHBondContact CG-OE1 3.41Å; K28-E32 IonicContact NZ-OE1 3.08Å; K28-E32 WeakPolarHBondContact O-CG 3.3Å; K28-E32 PolarHBondContact O-N 3.36Å; T29-E32 PolarHBondContact O-N 3.43Å
33D87Confident81.5Confident131 Ų13176 Ų7670%0.70143%0.427SS*.Hα-helixtrans-71.4-32.4-179.6-77-17.4000113T29T29-D33 WeakPolarHBondContact O-CB 3.15Å; T29-D33 PolarHBondContact O-N 3.3Å
34L83.4Confident81.4Confident114 Ų11475.7 Ų75.760%0.59743%0.429SS*.Hα-helixtrans-92-8.6-178.6-64176.9000113.5M30 M36M30-L34 HydrophobicContact CG-CD1 3.88Å; M30-L34 WeakPolarHBondContact O-CB 3.16Å; M30-L34 VanDerWaalsContact O-CG 3.31Å; M30-L34 WeakPolarHBondContact O-CG 3.45Å; M30-L34 PolarHBondContact O-N 3.11Å; M30-L34 VanDerWaalsContact O-N 3.12Å; L34-M36 HydrophobicContact CB-CG 3.63Å; L34-M36 HydrophobicContact CB-SD 3.71Å; L34-M36 HydrophobicContact CD1-SD 3.48Å; L34-M36 WeakPolarHBondContact CD1-SD 3.5Å; L34-M36 HydrophobicContact CG-SD 4.24Å; L34-M36 PolarHBondContact O-N 3.26Å
35G77.5Confident81.2Confident52 Ų5276 Ų7654%0.53643%0.431SS..THydrogen-bonded Turntrans6333-174.400000112.6L31 D37L31-G35 PolarHBondContact O-N 2.85Å; L31-G35 VanDerWaalsContact O-N 3.09Å; G35-D37 VanDerWaalsContact C-N 3.26Å
36M72.1Confident81.2Confident35 Ų3577.3 Ų77.317%0.17244%0.441CS..  trans-90.111.3179.3-64.417284.200112.1L31 L34 D41L31-M36 HydrophobicContact CD2-CB 3.74Å; L31-M36 HydrophobicContact CD2-SD 4.37Å; L31-M36 PolarHBondContact O-N 2.97Å; L31-M36 VanDerWaalsContact O-N 3.1Å; L34-M36 HydrophobicContact CB-CG 3.63Å; L34-M36 HydrophobicContact CB-SD 3.71Å; L34-M36 HydrophobicContact CD1-SD 3.48Å; L34-M36 WeakPolarHBondContact CD1-SD 3.5Å; L34-M36 HydrophobicContact CG-SD 4.24Å; L34-M36 PolarHBondContact O-N 3.26Å; M36-D41 HydrophobicContact CE-CB 3.6Å; M36-D41 HydrophobicContact CG-CB 4.3Å
37D67.1Low81.3Confident63 Ų6374.7 Ų74.734%0.33743%0.425SS..SBendtrans-75.6-28.8-175.252.5-25.1000113.6G35G35-D37 VanDerWaalsContact C-N 3.26Å
38D62.9Low81.5Confident128 Ų12878.2 Ų78.268%0.68445%0.448SS*.SBendtrans-107.8-28.9-166.6-82.8-22.5000117.1
39E56.9Low81.7Confident193 Ų19379.6 Ų79.690%0.90246%0.459SS*.SBendtrans178.1127.5175.3-105.8153.6-14800111.9
40G57.1Low81.9Confident82 Ų8276.9 Ų76.985%0.84544%0.442SS*.  trans93.620.9139.800000120.1
41D61.8Low82.4Confident92 Ų9276.3 Ų76.349%0.49244%0.441SS..  trans-88.1111.1160.2-150.9-15000109.8M36 D43M36-D41 HydrophobicContact CE-CB 3.6Å; M36-D41 HydrophobicContact CG-CB 4.3Å; D41-D43 PolarHBondContact O-N 2.7Å
42D71.8Confident82.8Confident119 Ų11976.6 Ų76.664%0.63644%0.443SS*.  trans-78.9-9.8-176.4-109.4-26.6000112.4K5K5-D42 WeakPolarHBondContact CD-O 3.08Å; K5-D42 PolarHBondContact NZ-O 2.83Å; K5-D42 IonicContact NZ-OD1 2.8Å; K5-D42 PolarHBondContact NZ-OD1 3.45Å
43D87Confident83.3Confident118 Ų11874.9 Ų74.963%0.63145%0.447SS*.SBendtrans-74.8126.3-176.1-76.9-23.3000110.9D41D41-D43 PolarHBondContact O-N 2.7Å
44P91.5Very high83.8Confident39 Ų3968.9 Ų68.925%0.25341%0.414SS..  trans-71.3137.3-178.129.7-34.6000111.5K5 Q7 I13 P46K5-P44 HydrophobicContact CB-CB 3.93Å; K5-P44 CarbonylContact O-C 3.57Å; K5-P44 WeakPolarHBondContact O-CA 3.4Å; Q7-P44 HydrophobicContact CB-CB 3.96Å; Q7-P44 HydrophobicContact CB-CG 4.47Å; I13-P44 HydrophobicContact CD1-CB 4.49Å; I13-P44 HydrophobicContact CD1-CG 4.39Å; P44-P46 VanDerWaalsContact O-CD 3.26Å; P44-P46 WeakPolarHBondContact O-CD 3.49Å
45V92.9Very high84.6Confident10 Ų1063.5 Ų63.56%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-70.3114.9171.4177.20000109.1K5 L6 Q7 M30 L47K5-V45 PolarHBondContact O-N 3.39Å; L6-V45 HydrophobicContact CD2-CB 3.82Å; L6-V45 HydrophobicContact CD2-CG1 4.21Å; L6-V45 HydrophobicContact CD2-CG2 4.3Å; Q7-V45 PolarHBondContact N-O 3.1Å; M30-V45 HydrophobicContact CE-CB 3.99Å; M30-V45 HydrophobicContact CE-CG1 3.47Å; M30-V45 VanDerWaalsContact CE-CG1 3.47Å; M30-V45 HydrophobicContact CE-CG2 3.27Å; M30-V45 HydrophobicContact SD-CB 4.44Å; M30-V45 HydrophobicContact SD-CG1 3.48Å; M30-V45 WeakPolarHBondContact SD-CG1 3.38Å; M30-V45 HydrophobicContact SD-CG2 4.18Å; V45-L47 HydrophobicContact CG1-CD2 4.2Å; V45-L47 PolarHBondContact O-N 3.28Å
46P95.2Very high85.6Confident86 Ų8667.8 Ų67.856%0.55839%0.39SS*.EExtended strand (participates in β ladder)trans-77.9127.1-179.331-32.8000111.3P44 P48P44-P46 VanDerWaalsContact O-CD 3.26Å; P44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-P48 VanDerWaalsContact C-CD 3.44Å; P46-P48 WeakPolarHBondContact O-CD 3.08Å
47L97.1Very high86.8Confident6 Ų668.5 Ų68.53%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-113.374.1174.4-58.8-178.5000109.6L6 Q7 S9 V45 N49 V50 L55 Y109 L110L6-L47 HydrophobicContact CB-CD1 4.12Å; L6-L47 HydrophobicContact CD1-CD1 4.18Å; L6-L47 HydrophobicContact CD2-CD1 4.35Å; L6-L47 HydrophobicContact CG-CD1 4.46Å; Q7-L47 WeakPolarHBondContact O-CA 3.44Å; Q7-L47 WeakPolarHBondContact O-CB 3.31Å; Q7-L47 PolarHBondContact O-N 2.9Å; S9-L47 PolarHBondContact N-O 3.22Å; V45-L47 HydrophobicContact CG1-CD2 4.2Å; V45-L47 PolarHBondContact O-N 3.28Å; L47-N49 PolarHBondContact O-N 2.79Å; L47-V50 PolarHBondContact O-N 3.49Å; L47-L55 HydrophobicContact CD1-CD1 3.78Å; L47-L55 HydrophobicContact CD1-CD2 4.11Å; L47-Y109 HydrophobicContact CD2-CE1 4.38Å; L47-L110 HydrophobicContact CD1-CD2 4.14Å; L47-L110 HydrophobicContact CD2-CD2 3.81Å
48P96.7Very high88.3Confident80 Ų8065.7 Ų65.752%0.51938%0.377SS..THydrogen-bonded Turntrans-66.1-14.2-169.327.8-37.7000114.7S9 P46S9-P48 WeakPolarHBondContact CB-O 3.45Å; P46-P48 VanDerWaalsContact C-CD 3.44Å; P46-P48 WeakPolarHBondContact O-CD 3.08Å
49N97Very high90Very high110 Ų11061 Ų6159%0.58835%0.352SS*.THydrogen-bonded Turntrans-101.36-178.3-63.3-32.5000113.4L47 Y109L47-N49 PolarHBondContact O-N 2.79Å; N49-Y109 HydrophobicContact CB-CD1 4.01Å; N49-Y109 HydrophobicContact CB-CD2 4.13Å; N49-Y109 HydrophobicContact CB-CE1 4.06Å; N49-Y109 HydrophobicContact CB-CE2 4.18Å; N49-Y109 HydrophobicContact CB-CG 4.06Å; N49-Y109 WeakPolarHBondContact ND2-CD2 3.44Å; N49-Y109 WeakPolarHBondContact ND2-CE2 3.3Å
50V98.4Very high92Very high2 Ų256.6 Ų56.61%0.01233%0.331CS..  trans-131.4119-177.9-167.50000109.4S8 S9 L47 I54 L55 A106 Y109 L110S8-V50 CarbonylContact C-O 3.57Å; S8-V50 WeakPolarHBondContact CA-O 3.26Å; S8-V50 WeakPolarHBondContact CB-O 3.13Å; S9-V50 PolarHBondContact N-O 3.46Å; S9-V50 PolarHBondContact OG-O 3.38Å; L47-V50 PolarHBondContact O-N 3.49Å; V50-I54 HydrophobicContact CG1-CB 4.08Å; V50-I54 HydrophobicContact CG1-CG2 3.89Å; V50-L55 HydrophobicContact CG1-CB 3.85Å; V50-A106 HydrophobicContact CG1-CB 3.96Å; V50-A106 HydrophobicContact CG2-CB 3.98Å; V50-Y109 HydrophobicContact CG2-CD1 3.74Å; V50-Y109 HydrophobicContact CG2-CE1 4.18Å; V50-L110 HydrophobicContact CG2-CD1 4.41Å
51N98.5Very high94Very high39 Ų3953.2 Ų53.221%0.20929%0.293CS..  trans-74.6163173.37252.2000111.4S9 D10 A53 I54 L55 E102S9-N51 WeakPolarHBondContact OG-CA 3.31Å; S9-N51 PolarHBondContact OG-N 3.01Å; D10-N51 WeakPolarHBondContact OD1-CA 3.4Å; N51-A53 VanDerWaalsContact C-N 3.33Å; N51-A53 PolarHBondContact O-N 3.27Å; N51-A53 WeakPolarHBondContact OD1-CB 3.35Å; N51-A53 PolarHBondContact OD1-N 3.4Å; N51-A53 VanDerWaalsContact OD1-N 3.09Å; N51-I54 PolarHBondContact O-N 2.99Å; N51-I54 VanDerWaalsContact OD1-CG1 3.3Å; N51-I54 WeakPolarHBondContact OD1-CG1 2.99Å; N51-I54 PolarHBondContact OD1-N 3.2Å; N51-L55 WeakPolarHBondContact O-CB 3.35Å; N51-L55 PolarHBondContact O-N 3.05Å; N51-E102 PolarHBondContact ND2-OE2 3.19Å
52A98.6Very high95.7Very high6 Ų649.2 Ų49.25%0.0527%0.272CS..Hα-helixtrans-60.3-39.7-175.400000113.6D10 E12 F14 I54 L55 K56D10-A52 WeakPolarHBondContact OD1-CB 3.43Å; D10-A52 PolarHBondContact OD1-N 3.28Å; D10-A52 PolarHBondContact OD2-N 2.84Å; E12-A52 HydrophobicContact CB-CB 3.8Å; E12-A52 HydrophobicContact CG-CB 4.48Å; E12-A52 WeakPolarHBondContact OE2-CB 3.42Å; F14-A52 HydrophobicContact CE2-CB 3.99Å; F14-A52 HydrophobicContact CZ-CB 3.93Å; A52-I54 VanDerWaalsContact C-N 3.32Å; A52-I54 PolarHBondContact O-N 3.31Å; A52-L55 PolarHBondContact O-N 2.91Å; A52-K56 VanDerWaalsContact O-CB 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.37Å; A52-K56 PolarHBondContact O-N 3.38Å
53A98.5Very high96.9Very high68 Ų6846.4 Ų46.456%0.56226%0.259SS*.Hα-helixtrans-62.8-41-179.900000111.8N51 K57N51-A53 VanDerWaalsContact C-N 3.33Å; N51-A53 PolarHBondContact O-N 3.27Å; N51-A53 WeakPolarHBondContact OD1-CB 3.35Å; N51-A53 PolarHBondContact OD1-N 3.4Å; N51-A53 VanDerWaalsContact OD1-N 3.09Å; A53-K57 PolarHBondContact O-N 2.95Å
54I98.7Very high97.4Very high4 Ų444.8 Ų44.82%0.02125%0.248CC..Hα-helixtrans-75.8-43.6177.9-60.5-63.6000110.8V50 N51 A52 K56 K57 V58 T99 E102 L103 A106V50-I54 HydrophobicContact CG1-CB 4.08Å; V50-I54 HydrophobicContact CG1-CG2 3.89Å; N51-I54 PolarHBondContact O-N 2.99Å; N51-I54 VanDerWaalsContact OD1-CG1 3.3Å; N51-I54 WeakPolarHBondContact OD1-CG1 2.99Å; N51-I54 PolarHBondContact OD1-N 3.2Å; A52-I54 VanDerWaalsContact C-N 3.32Å; A52-I54 PolarHBondContact O-N 3.31Å; I54-K56 VanDerWaalsContact C-N 3.28Å; I54-K56 PolarHBondContact O-N 3.39Å; I54-K57 WeakPolarHBondContact O-CB 3.25Å; I54-K57 PolarHBondContact O-N 3.06Å; I54-V58 HydrophobicContact CG2-CG2 4.3Å; I54-V58 WeakPolarHBondContact O-CG2 3.12Å; I54-V58 PolarHBondContact O-N 3.06Å; I54-T99 HydrophobicContact CD1-CG2 3.98Å; I54-E102 HydrophobicContact CD1-CB 3.51Å; I54-E102 HydrophobicContact CD1-CG 4.47Å; I54-E102 VanDerWaalsContact CD1-OE2 3.26Å; I54-E102 WeakPolarHBondContact CD1-OE2 3.44Å; I54-E102 HydrophobicContact CG1-CB 3.69Å; I54-E102 HydrophobicContact CG1-CG 4.49Å; I54-E102 WeakPolarHBondContact CG1-OE2 3.18Å; I54-E102 HydrophobicContact CG2-CB 4.48Å; I54-L103 HydrophobicContact CD1-CG 4.45Å; I54-L103 HydrophobicContact CG2-CD2 4.11Å; I54-A106 HydrophobicContact CG2-CB 3.67Å
55L98.7Very high97.6Very high2 Ų243.9 Ų43.91%0.0124%0.24CC..Hα-helixtrans-58.2-41.9177.6-176.755.1000111.3L6 F14 L47 V50 N51 A52 K57 V58 I59L6-L55 HydrophobicContact CB-CD2 4.24Å; L6-L55 HydrophobicContact CD1-CD1 4.43Å; F14-L55 HydrophobicContact CD2-CD2 3.54Å; F14-L55 HydrophobicContact CD2-CG 4.12Å; F14-L55 HydrophobicContact CE2-CB 4.42Å; F14-L55 HydrophobicContact CE2-CD2 3.88Å; F14-L55 HydrophobicContact CE2-CG 4.31Å; F14-L55 HydrophobicContact CG-CD2 4.28Å; L47-L55 HydrophobicContact CD1-CD1 3.78Å; L47-L55 HydrophobicContact CD1-CD2 4.11Å; V50-L55 HydrophobicContact CG1-CB 3.85Å; N51-L55 WeakPolarHBondContact O-CB 3.35Å; N51-L55 PolarHBondContact O-N 3.05Å; A52-L55 PolarHBondContact O-N 2.91Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.31Å; L55-V58 PolarHBondContact O-N 2.98Å; L55-I59 HydrophobicContact CD1-CD1 4.16Å; L55-I59 HydrophobicContact CD1-CG1 4.28Å; L55-I59 HydrophobicContact CG-CD1 3.89Å; L55-I59 HydrophobicContact CG-CG1 4.5Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.39Å
56K98.6Very high97.6Very high141 Ų14147.8 Ų47.861%0.61326%0.256SS*.Hα-helixtrans-58.4-42.1174.5-174.9174.7-176.8171.50112.7F14 A52 I54 Q60F14-K56 HydrophobicContact CE1-CB 3.96Å; F14-K56 HydrophobicContact CE1-CG 4.42Å; F14-K56 HydrophobicContact CZ-CB 4.35Å; A52-K56 VanDerWaalsContact O-CB 3.3Å; A52-K56 WeakPolarHBondContact O-CB 3.37Å; A52-K56 PolarHBondContact O-N 3.38Å; I54-K56 VanDerWaalsContact C-N 3.28Å; I54-K56 PolarHBondContact O-N 3.39Å; K56-Q60 WeakPolarHBondContact O-CB 3.32Å; K56-Q60 PolarHBondContact O-N 2.92Å
57K98.6Very high97.4Very high51 Ų5149.9 Ų49.922%0.22226%0.263CS..Hα-helixtrans-68.2-41.5175.7-83.7178.5161-76.70111.8A53 I54 L55 I59 Q60 W61 F92 T99 L103A53-K57 PolarHBondContact O-N 2.95Å; I54-K57 WeakPolarHBondContact O-CB 3.25Å; I54-K57 PolarHBondContact O-N 3.06Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.31Å; K57-I59 VanDerWaalsContact C-N 3.35Å; K57-I59 PolarHBondContact O-N 3.43Å; K57-Q60 WeakPolarHBondContact O-CB 3.41Å; K57-Q60 PolarHBondContact O-N 3.36Å; K57-W61 PolarHBondContact O-N 3.28Å; K57-F92 HydrophobicContact CB-CE2 4.37Å; K57-F92 HydrophobicContact CB-CZ 4.01Å; K57-F92 HydrophobicContact CG-CE2 4.49Å; K57-F92 HydrophobicContact CG-CZ 4.49Å; K57-F92 VanDerWaalsContact O-CZ 3.28Å; K57-F92 WeakPolarHBondContact O-CZ 3.32Å; K57-T99 HydrophobicContact CD-CG2 3.95Å; K57-L103 HydrophobicContact CB-CD2 3.85Å; K57-L103 HydrophobicContact CD-CD1 4.38Å
58V98.7Very high97Very high4 Ų453.8 Ų53.82%0.02428%0.284CS..Hα-helixtrans-59-47.5175.1172.90000110.6I54 L55 Q60 W61 C62 L103 A106 L110 I112 L115I54-V58 HydrophobicContact CG2-CG2 4.3Å; I54-V58 WeakPolarHBondContact O-CG2 3.12Å; I54-V58 PolarHBondContact O-N 3.06Å; L55-V58 PolarHBondContact O-N 2.98Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.31Å; V58-W61 PolarHBondContact O-N 3.16Å; V58-C62 PolarHBondContact O-N 3.5Å; V58-C62 PolarHBondContact O-SG 3.47Å; V58-L103 HydrophobicContact CG2-CD2 4.09Å; V58-A106 HydrophobicContact CG2-CB 4.06Å; V58-L110 HydrophobicContact CG1-CD1 4.02Å; V58-I112 HydrophobicContact CG1-CD1 3.4Å; V58-L115 HydrophobicContact CG1-CD2 4.36Å; V58-L115 HydrophobicContact CG2-CD2 4Å
59I98.4Very high96.5Very high29 Ų2955.2 Ų55.215%0.14929%0.293CS..Hα-helixtrans-60.7-42.9176.4-66.4161.5000110.6F14 V16 L55 K57 W61 C62 T63F14-I59 HydrophobicContact CB-CD1 3.73Å; F14-I59 HydrophobicContact CD1-CD1 3.83Å; F14-I59 HydrophobicContact CG-CD1 3.83Å; V16-I59 HydrophobicContact CG1-CG2 4.29Å; V16-I59 HydrophobicContact CG2-CD1 3.58Å; V16-I59 HydrophobicContact CG2-CG1 3.96Å; V16-I59 HydrophobicContact CG2-CG2 4.31Å; L55-I59 HydrophobicContact CD1-CD1 4.16Å; L55-I59 HydrophobicContact CD1-CG1 4.28Å; L55-I59 HydrophobicContact CG-CD1 3.89Å; L55-I59 HydrophobicContact CG-CG1 4.5Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.39Å; K57-I59 VanDerWaalsContact C-N 3.35Å; K57-I59 PolarHBondContact O-N 3.43Å; I59-W61 VanDerWaalsContact C-N 3.35Å; I59-W61 PolarHBondContact O-N 2.93Å; I59-C62 PolarHBondContact O-N 3.38Å; I59-T63 WeakPolarHBondContact O-CB 3.23Å; I59-T63 PolarHBondContact O-N 3.45Å; I59-T63 PolarHBondContact O-OG1 3.21Å
60Q98.4Very high95.3Very high100 Ų10055.5 Ų55.547%0.46730%0.301SS..Hα-helixtrans-59.2-44.8176.1-178.7-176.34.400111.9K56 K57 V58 T63 H64 F92K56-Q60 WeakPolarHBondContact O-CB 3.32Å; K56-Q60 PolarHBondContact O-N 2.92Å; K57-Q60 WeakPolarHBondContact O-CB 3.41Å; K57-Q60 PolarHBondContact O-N 3.36Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.31Å; Q60-T63 PolarHBondContact O-N 3.24Å; Q60-H64 PolarHBondContact O-N 2.99Å; Q60-H64 VanDerWaalsContact O-N 3.16Å; Q60-F92 HydrophobicContact CB-CE2 4.32Å; Q60-F92 HydrophobicContact CG-CE2 4.22Å
61W98.5Very high93.9Very high12 Ų1260.1 Ų60.15%0.04533%0.331CS..Hα-helixtrans-63.2-48.7178.1-170.291.6000111.5K57 V58 I59 T63 H64 H65 W88 D89 F92 I112 L115 V118K57-W61 PolarHBondContact O-N 3.28Å; V58-W61 PolarHBondContact O-N 3.16Å; I59-W61 VanDerWaalsContact C-N 3.35Å; I59-W61 PolarHBondContact O-N 2.93Å; W61-T63 VanDerWaalsContact C-N 3.31Å; W61-T63 PolarHBondContact O-N 2.98Å; W61-H64 WeakPolarHBondContact O-CB 3.34Å; W61-H64 PolarHBondContact O-N 3.28Å; W61-H64 VanDerWaalsContact O-N 3.14Å; W61-H65 AromaticContact CD1-CE1 3.72Å; W61-H65 AromaticContact CD1-ND1 3.92Å; W61-H65 AromaticContact CD2-CE1 3.92Å; W61-H65 AromaticContact CD2-ND1 3.5Å; W61-H65 AromaticContact CE2-CE1 3.29Å; W61-H65 AromaticContact CE2-CG 3.86Å; W61-H65 AromaticContact CE2-ND1 3.29Å; W61-H65 VanDerWaalsContact CE2-ND1 3.29Å; W61-H65 AromaticContact CE2-NE2 3.87Å; W61-H65 HydrophobicContact CE3-CB 4.37Å; W61-H65 AromaticContact CE3-ND1 3.96Å; W61-H65 AromaticContact CG-ND1 3.91Å; W61-H65 HydrophobicContact CH2-CB 3.9Å; W61-H65 AromaticContact CH2-CG 3.71Å; W61-H65 AromaticContact CH2-ND1 3.98Å; W61-H65 HydrophobicContact CZ2-CB 4.33Å; W61-H65 AromaticContact CZ2-CD2 3.69Å; W61-H65 AromaticContact CZ2-CE1 3.6Å; W61-H65 AromaticContact CZ2-CG 3.62Å; W61-H65 AromaticContact CZ2-ND1 3.56Å; W61-H65 AromaticContact CZ2-NE2 3.71Å; W61-H65 HydrophobicContact CZ3-CB 3.94Å; W61-H65 AromaticContact NE1-CE1 3.15Å; W61-H65 PolarHBondContact NE1-CE1 3.17Å; W61-H65 AromaticContact NE1-ND1 3.56Å; W61-H65 AromaticContact NE1-NE2 3.88Å; W61-H65 PolarHBondContact O-N 2.64Å; W61-H65 VanDerWaalsContact O-N 3.1Å; W61-H65 PolarHBondContact O-ND1 3.31Å; W61-W88 AromaticContact CD1-CZ3 3.71Å; W61-W88 HydrophobicContact CG-CZ3 4.41Å; W61-D89 PolarHBondContact NE1-OD1 3.31Å; W61-F92 HydrophobicContact CB-CE1 3.96Å; W61-F92 HydrophobicContact CB-CE2 4.34Å; W61-F92 HydrophobicContact CB-CZ 3.77Å; W61-F92 AromaticContact CD1-CD1 3.64Å; W61-F92 AromaticContact CD1-CE1 3.56Å; W61-F92 HydrophobicContact CG-CE1 4.1Å; W61-F92 HydrophobicContact CG-CZ 4.4Å; W61-I112 HydrophobicContact CE3-CG2 4.25Å; W61-I112 HydrophobicContact CZ3-CG2 3.96Å; W61-L115 HydrophobicContact CB-CD1 4.33Å; W61-L115 HydrophobicContact CD2-CB 3.9Å; W61-L115 HydrophobicContact CD2-CD1 3.95Å; W61-L115 HydrophobicContact CD2-CG 4.37Å; W61-L115 HydrophobicContact CE3-CB 3.88Å; W61-L115 HydrophobicContact CG-CD1 3.72Å; W61-L115 HydrophobicContact CG-CG 4.49Å; W61-L115 HydrophobicContact CH2-CB 4.38Å; W61-L115 HydrophobicContact CZ2-CB 4.35Å; W61-L115 HydrophobicContact CZ3-CB 4.14Å; W61-V118 HydrophobicContact CZ2-CG2 4.35Å
62C97.9Very high92.4Very high7 Ų762.1 Ų62.15%0.04735%0.346CS..Hα-helixtrans-61.3-42.5177.9-61.50000110.6I20 Q23 V58 I59 H64 H65 K66I20-C62 HydrophobicContact CG2-CB 3.65Å; Q23-C62 HydrophobicContact CB-CB 4.43Å; Q23-C62 PolarHBondContact NE2-O 3.43Å; V58-C62 PolarHBondContact O-N 3.5Å; V58-C62 PolarHBondContact O-SG 3.47Å; I59-C62 PolarHBondContact O-N 3.38Å; C62-H64 PolarHBondContact O-N 3.33Å; C62-H65 PolarHBondContact O-N 2.87Å; C62-K66 WeakPolarHBondContact O-CB 3.32Å; C62-K66 PolarHBondContact O-N 3.24Å
63T97Very high90.7Very high61 Ų6170.9 Ų70.937%0.37439%0.386SS..Hα-helixtrans-58.8-36.2177.8-56.20000112I20 I59 Q60 W61 K66I20-T63 HydrophobicContact CD1-CG2 4.02Å; I59-T63 WeakPolarHBondContact O-CB 3.23Å; I59-T63 PolarHBondContact O-N 3.45Å; I59-T63 PolarHBondContact O-OG1 3.21Å; Q60-T63 PolarHBondContact O-N 3.24Å; W61-T63 VanDerWaalsContact C-N 3.31Å; W61-T63 PolarHBondContact O-N 2.98Å; T63-K66 WeakPolarHBondContact O-CG 3.23Å
64H97Very high88.9Confident84 Ų8474.9 Ų74.939%0.38940%0.398SS..Hα-helixtrans-71.4-43.7177.3-17269.8000112.4Q60 W61 C62 W88Q60-H64 PolarHBondContact O-N 2.99Å; Q60-H64 VanDerWaalsContact O-N 3.16Å; W61-H64 WeakPolarHBondContact O-CB 3.34Å; W61-H64 PolarHBondContact O-N 3.28Å; W61-H64 VanDerWaalsContact O-N 3.14Å; C62-H64 PolarHBondContact O-N 3.33Å; H64-W88 HydrophobicContact CB-CD2 4.48Å; H64-W88 HydrophobicContact CB-CE3 4.39Å; H64-W88 HydrophobicContact CB-CH2 3.59Å; H64-W88 HydrophobicContact CB-CZ2 3.66Å; H64-W88 HydrophobicContact CB-CZ3 3.97Å; H64-W88 AromaticContact CD2-CD2 3.32Å; H64-W88 AromaticContact CD2-CE2 3.7Å; H64-W88 AromaticContact CD2-CE3 3.4Å; H64-W88 AromaticContact CD2-CG 3.78Å; H64-W88 AromaticContact CD2-CZ3 3.85Å; H64-W88 AromaticContact CE1-CD1 3.52Å; H64-W88 AromaticContact CE1-CD2 3.83Å; H64-W88 AromaticContact CE1-CE2 3.8Å; H64-W88 AromaticContact CE1-CG 3.66Å; H64-W88 AromaticContact CE1-NE1 3.59Å; H64-W88 AromaticContact CG-CD2 3.69Å; H64-W88 AromaticContact CG-CE2 3.52Å; H64-W88 AromaticContact CG-CE3 3.9Å; H64-W88 AromaticContact CG-CH2 3.87Å; H64-W88 AromaticContact CG-CZ2 3.63Å; H64-W88 AromaticContact CG-CZ3 4Å; H64-W88 AromaticContact ND1-CD2 3.99Å; H64-W88 AromaticContact ND1-CE2 3.61Å; H64-W88 AromaticContact ND1-CZ2 3.97Å; H64-W88 AromaticContact ND1-NE1 3.64Å; H64-W88 AromaticContact NE2-CD1 3.65Å; H64-W88 AromaticContact NE2-CD2 3.41Å; H64-W88 AromaticContact NE2-CE2 3.85Å; H64-W88 AromaticContact NE2-CE3 3.92Å; H64-W88 AromaticContact NE2-CG 3.29Å; H64-W88 VanDerWaalsContact NE2-CG 3.29Å; H64-W88 AromaticContact NE2-NE1 3.95Å
65H95.5Very high87.1Confident19 Ų1978.4 Ų78.49%0.08842%0.417CS..Hα-helixtrans-92.55.3-172.6-64.282.6000114.2W61 C62 D67 D68 W88 D89W61-H65 AromaticContact CD1-CE1 3.72Å; W61-H65 AromaticContact CD1-ND1 3.92Å; W61-H65 AromaticContact CD2-CE1 3.92Å; W61-H65 AromaticContact CD2-ND1 3.5Å; W61-H65 AromaticContact CE2-CE1 3.29Å; W61-H65 AromaticContact CE2-CG 3.86Å; W61-H65 AromaticContact CE2-ND1 3.29Å; W61-H65 VanDerWaalsContact CE2-ND1 3.29Å; W61-H65 AromaticContact CE2-NE2 3.87Å; W61-H65 HydrophobicContact CE3-CB 4.37Å; W61-H65 AromaticContact CE3-ND1 3.96Å; W61-H65 AromaticContact CG-ND1 3.91Å; W61-H65 HydrophobicContact CH2-CB 3.9Å; W61-H65 AromaticContact CH2-CG 3.71Å; W61-H65 AromaticContact CH2-ND1 3.98Å; W61-H65 HydrophobicContact CZ2-CB 4.33Å; W61-H65 AromaticContact CZ2-CD2 3.69Å; W61-H65 AromaticContact CZ2-CE1 3.6Å; W61-H65 AromaticContact CZ2-CG 3.62Å; W61-H65 AromaticContact CZ2-ND1 3.56Å; W61-H65 AromaticContact CZ2-NE2 3.71Å; W61-H65 HydrophobicContact CZ3-CB 3.94Å; W61-H65 AromaticContact NE1-CE1 3.15Å; W61-H65 PolarHBondContact NE1-CE1 3.17Å; W61-H65 AromaticContact NE1-ND1 3.56Å; W61-H65 AromaticContact NE1-NE2 3.88Å; W61-H65 PolarHBondContact O-N 2.64Å; W61-H65 VanDerWaalsContact O-N 3.1Å; W61-H65 PolarHBondContact O-ND1 3.31Å; C62-H65 PolarHBondContact O-N 2.87Å; H65-D67 PolarHBondContact O-N 2.93Å; H65-D68 IonicContact CD2-OD2 3.84Å; H65-D68 PolarHBondContact CD2-OD2 2.99Å; H65-D68 IonicContact CG-OD2 2.67Å; H65-D68 WeakPolarHBondContact O-CB 3.35Å; H65-D68 PolarHBondContact O-N 3.48Å; H65-D68 VanDerWaalsContact O-N 3.13Å; H65-W88 AromaticContact CE1-CE3 3.62Å; H65-W88 AromaticContact CE1-CZ3 3.55Å; H65-D89 IonicContact CE1-OD1 3.93Å; H65-D89 PolarHBondContact CE1-OD1 3Å; H65-D89 IonicContact CE1-OD2 3.31Å; H65-D89 IonicContact NE2-OD1 3.06Å; H65-D89 PolarHBondContact NE2-OD1 3.05Å; H65-D89 IonicContact NE2-OD2 3.94Å; H65-D89 PolarHBondContact NE2-OD2 3.05Å
66K92.6Very high85.3Confident92 Ų9285.4 Ų85.440%0.445%0.449SS..THydrogen-bonded Turntrans-61.6-27.6-17670.7179.2-171.31330114.3I20 C62 T63I20-K66 HydrophobicContact CD1-CD 4.28Å; I20-K66 HydrophobicContact CG1-CB 4.46Å; I20-K66 HydrophobicContact CG1-CD 3.97Å; C62-K66 WeakPolarHBondContact O-CB 3.32Å; C62-K66 PolarHBondContact O-N 3.24Å; T63-K66 WeakPolarHBondContact O-CG 3.23Å
67D91.2Very high83.6Confident130 Ų13083.7 Ų83.770%0.69545%0.447SS*.THydrogen-bonded Turntrans-1035.4-178-59.4-50.6000111.8H65H65-D67 PolarHBondContact O-N 2.93Å
68D90.4Very high82Confident88 Ų8884.9 Ų84.947%0.47145%0.452SS..SBendtrans-70.8145.2-179-81.810.3000111.2H65H65-D68 IonicContact CD2-OD2 3.84Å; H65-D68 PolarHBondContact CD2-OD2 2.99Å; H65-D68 IonicContact CG-OD2 2.67Å; H65-D68 WeakPolarHBondContact O-CB 3.35Å; H65-D68 PolarHBondContact O-N 3.48Å; H65-D68 VanDerWaalsContact O-N 3.13Å
69P84.3Confident80.5Confident111 Ų11192.3 Ų92.372%0.72149%0.486SS*.PPolyproline II helixtrans-63143.3173.927.8-33.5000109.8
70P73.5Confident79.2Confident115 Ų11598.3 Ų98.375%0.74751%0.512SS*.PPolyproline II helixtrans-55.6142.6174.821.7-31000110.1
71P68.3Low78.4Confident99 Ų9999.5 Ų99.564%0.64351%0.512SS*.PPolyproline II helixtrans-58.5141.5176.122.9-30.4000109.5E73P71-E73 PolarHBondContact O-N 2.94Å
72P66.3Low77.8Confident81 Ų81100 Ų10053%0.52652%0.516SS..PPolyproline II helixtrans-59128.7174.723.3-30.6000109.2D74 D75P72-D74 PolarHBondContact O-N 2.82Å; P72-D75 HydrophobicContact CG-CB 4.44Å
73E64.4Low77.2Confident190 Ų190104.7 Ų104.789%0.88854%0.541SS*.THydrogen-bonded Turntrans-61.6-25.6-173.9-65.9-173.8144.700113.1P71P71-E73 PolarHBondContact O-N 2.94Å
74D60.1Low76.7Confident153 Ų153103.9 Ų103.982%0.81853%0.534SS*.THydrogen-bonded Turntrans-122.825.9-162.6-73.1-31000115.3P72 E76P72-D74 PolarHBondContact O-N 2.82Å; D74-E76 PolarHBondContact O-N 3.4Å
75D61.4Low76.5Confident78 Ų78100.5 Ų100.542%0.41752%0.519SS..  trans-100.275.6172.2-157.1-11.2000111.5P72 N77 K78P72-D75 HydrophobicContact CG-CB 4.44Å; D75-N77 PolarHBondContact O-N 3.27Å; D75-N77 WeakPolarHBondContact OD1-CB 3.34Å; D75-N77 PolarHBondContact OD1-N 2.79Å; D75-K78 HydrophobicContact CB-CB 3.96Å; D75-K78 VanDerWaalsContact O-CB 3.29Å; D75-K78 WeakPolarHBondContact O-CB 3.21Å; D75-K78 PolarHBondContact O-N 3.33Å
76E61.3Low76.5Confident148 Ų148102.7 Ų102.769%0.69254%0.535SS*.THydrogen-bonded Turntrans-52.1-21.9174.1-66.6-170.8162.800113.1D74D74-E76 PolarHBondContact O-N 3.4Å
77N62.8Low76.6Confident105 Ų105104 Ų10456%0.56155%0.55SS*.THydrogen-bonded Turntrans-79.4-25.8176.6-68.5-42.6000112.7D75 E79 K80 R81D75-N77 PolarHBondContact O-N 3.27Å; D75-N77 WeakPolarHBondContact OD1-CB 3.34Å; D75-N77 PolarHBondContact OD1-N 2.79Å; N77-E79 VanDerWaalsContact C-N 3.33Å; N77-E79 PolarHBondContact O-N 2.87Å; N77-K80 PolarHBondContact O-N 3.38Å; N77-K80 VanDerWaalsContact O-N 3.17Å; N77-R81 PolarHBondContact O-N 2.66Å
78K64.8Low76.9Confident76 Ų76101.6 Ų101.633%0.3353%0.531SS..G310 helixtrans-66.1-35.8-179.6-168.2-178.7177.9-173.90112D75 K80 R81 D84 K121D75-K78 HydrophobicContact CB-CB 3.96Å; D75-K78 VanDerWaalsContact O-CB 3.29Å; D75-K78 WeakPolarHBondContact O-CB 3.21Å; D75-K78 PolarHBondContact O-N 3.33Å; K78-K80 PolarHBondContact O-N 2.85Å; K78-R81 PolarHBondContact O-N 3.5Å; K78-D84 WeakPolarHBondContact CG-OD2 3.4Å; K78-K121 PolarHBondContact O-NZ 2.84Å
79E66Low77.3Confident160 Ų16097.5 Ų97.575%0.74851%0.509SS*.G310 helixtrans-64.9-25.5175.2-64.6-173.1163.800112.6N77N77-E79 VanDerWaalsContact C-N 3.33Å; N77-E79 PolarHBondContact O-N 2.87Å
80K71.8Confident77.9Confident155 Ų15596.8 Ų96.867%0.67450%0.497SS*.G310 helixtrans-90.5-15.8-177.7-64.6174.8-173.8161.20113.4N77 K78N77-K80 PolarHBondContact O-N 3.38Å; N77-K80 VanDerWaalsContact O-N 3.17Å; K78-K80 PolarHBondContact O-N 2.85Å
81R81Confident79Confident126 Ų12696.9 Ų96.948%0.47549%0.487SS..  trans-86.3137.7-179.2-74.6-174.170.2-175.12.2110.2N77 K78 D83 K121N77-R81 PolarHBondContact O-N 2.66Å; K78-R81 PolarHBondContact O-N 3.5Å; R81-D83 WeakPolarHBondContact CB-OD1 3.39Å; R81-D83 IonicContact CZ-OD1 3.35Å; R81-D83 IonicContact CZ-OD2 2.74Å; R81-D83 IonicContact NE-OD1 2.66Å; R81-D83 PolarHBondContact NE-OD1 2.89Å; R81-D83 IonicContact NE-OD2 3.51Å; R81-D83 VanDerWaalsContact NH2-CG 3.33Å; R81-D83 IonicContact NH2-OD1 2.86Å; R81-D83 PolarHBondContact NH2-OD1 2.7Å; R81-D83 IonicContact NH2-OD2 3.64Å; R81-D83 PolarHBondContact NH2-OD2 3.03Å; R81-K121 WeakPolarHBondContact O-CD 3.17Å; R81-K121 WeakPolarHBondContact O-CE 3.39Å; R81-K121 PolarHBondContact O-NZ 3.45Å
82T85.6Confident80.5Confident23 Ų2392.9 Ų92.914%0.14146%0.459CS..SBendtrans-113.5-3.3175.365.90000111.9A124 N125T82-A124 HydrophobicContact CG2-CB 3.77Å; T82-N125 WeakPolarHBondContact CB-OD1 3.38Å; T82-N125 PolarHBondContact O-ND2 3.23Å; T82-N125 PolarHBondContact OG1-OD1 3.37Å
83D85.2Confident82Confident104 Ų10489.3 Ų89.356%0.55644%0.436SS*.SBendtrans-94.1-0.5-176.563.9-40.6000113.5R81R81-D83 WeakPolarHBondContact CB-OD1 3.39Å; R81-D83 IonicContact CZ-OD1 3.35Å; R81-D83 IonicContact CZ-OD2 2.74Å; R81-D83 IonicContact NE-OD1 2.66Å; R81-D83 PolarHBondContact NE-OD1 2.89Å; R81-D83 IonicContact NE-OD2 3.51Å; R81-D83 VanDerWaalsContact NH2-CG 3.33Å; R81-D83 IonicContact NH2-OD1 2.86Å; R81-D83 PolarHBondContact NH2-OD1 2.7Å; R81-D83 IonicContact NH2-OD2 3.64Å; R81-D83 PolarHBondContact NH2-OD2 3.03Å
84D88.4Confident83.6Confident44 Ų4487.2 Ų87.224%0.23542%0.424CS..  trans-102.915.9-175.770.9-34.8000114K78 P86 K121K78-D84 WeakPolarHBondContact CG-OD2 3.4Å; D84-P86 WeakPolarHBondContact O-CD 3.32Å; D84-K121 IonicContact OD1-NZ 3.08Å; D84-K121 PolarHBondContact OD1-NZ 2.87Å; D84-K121 IonicContact OD2-NZ 3.82Å; D84-K121 PolarHBondContact OD2-NZ 3.01Å; D84-K121 VanDerWaalsContact OD2-NZ 3.08Å
85I92.9Very high85.4Confident13 Ų1381.7 Ų81.77%0.06740%0.396CS..  trans-66.7124.4176.8-52.8176.4000109.2D89 Q90 V118 K121I85-D89 HydrophobicContact CG2-CB 3.65Å; I85-Q90 HydrophobicContact CB-CG 4.01Å; I85-Q90 HydrophobicContact CG2-CG 3.75Å; I85-Q90 PolarHBondContact O-NE2 2.94Å; I85-V118 HydrophobicContact CG2-CB 4.44Å; I85-V118 HydrophobicContact CG2-CG1 4.49Å; I85-K121 HydrophobicContact CD1-CB 3.72Å; I85-K121 HydrophobicContact CG1-CB 3.91Å; I85-K121 HydrophobicContact CG1-CD 4.24Å
86P93.6Very high87Confident65 Ų6582.7 Ų82.742%0.42240%0.401SS..  trans-53.5145.6175.1-27.435.6000112.7D84 W88 D89 Q90D84-P86 WeakPolarHBondContact O-CD 3.32Å; P86-W88 PolarHBondContact O-N 3.2Å; P86-D89 HydrophobicContact CB-CB 4.38Å; P86-D89 WeakPolarHBondContact CB-OD2 3.49Å; P86-D89 VanDerWaalsContact CD-OD2 3.28Å; P86-D89 WeakPolarHBondContact CD-OD2 3.33Å; P86-D89 VanDerWaalsContact CG-OD2 3.23Å; P86-D89 WeakPolarHBondContact CG-OD2 3.19Å; P86-D89 WeakPolarHBondContact O-CB 3.48Å; P86-D89 PolarHBondContact O-N 2.78Å; P86-Q90 WeakPolarHBondContact O-CG 3.4Å; P86-Q90 PolarHBondContact O-N 3.37Å
87V95.9Very high88.7Confident119 Ų11979 Ų7972%0.72138%0.384SS*.Hα-helixtrans-58.9-36.2-177.6177.10000111.7Q90 E91V87-Q90 PolarHBondContact O-N 3.17Å; V87-E91 PolarHBondContact O-N 2.99Å; V87-E91 VanDerWaalsContact O-N 3.15Å
88W97.7Very high90.3Very high80 Ų8075.8 Ų75.830%0.30338%0.376SS..Hα-helixtrans-64.4-44.6176.6-171.893.7000111.6W61 H64 H65 P86 Q90 E91 F92W61-W88 AromaticContact CD1-CZ3 3.71Å; W61-W88 HydrophobicContact CG-CZ3 4.41Å; H64-W88 HydrophobicContact CB-CD2 4.48Å; H64-W88 HydrophobicContact CB-CE3 4.39Å; H64-W88 HydrophobicContact CB-CH2 3.59Å; H64-W88 HydrophobicContact CB-CZ2 3.66Å; H64-W88 HydrophobicContact CB-CZ3 3.97Å; H64-W88 AromaticContact CD2-CD2 3.32Å; H64-W88 AromaticContact CD2-CE2 3.7Å; H64-W88 AromaticContact CD2-CE3 3.4Å; H64-W88 AromaticContact CD2-CG 3.78Å; H64-W88 AromaticContact CD2-CZ3 3.85Å; H64-W88 AromaticContact CE1-CD1 3.52Å; H64-W88 AromaticContact CE1-CD2 3.83Å; H64-W88 AromaticContact CE1-CE2 3.8Å; H64-W88 AromaticContact CE1-CG 3.66Å; H64-W88 AromaticContact CE1-NE1 3.59Å; H64-W88 AromaticContact CG-CD2 3.69Å; H64-W88 AromaticContact CG-CE2 3.52Å; H64-W88 AromaticContact CG-CE3 3.9Å; H64-W88 AromaticContact CG-CH2 3.87Å; H64-W88 AromaticContact CG-CZ2 3.63Å; H64-W88 AromaticContact CG-CZ3 4Å; H64-W88 AromaticContact ND1-CD2 3.99Å; H64-W88 AromaticContact ND1-CE2 3.61Å; H64-W88 AromaticContact ND1-CZ2 3.97Å; H64-W88 AromaticContact ND1-NE1 3.64Å; H64-W88 AromaticContact NE2-CD1 3.65Å; H64-W88 AromaticContact NE2-CD2 3.41Å; H64-W88 AromaticContact NE2-CE2 3.85Å; H64-W88 AromaticContact NE2-CE3 3.92Å; H64-W88 AromaticContact NE2-CG 3.29Å; H64-W88 VanDerWaalsContact NE2-CG 3.29Å; H64-W88 AromaticContact NE2-NE1 3.95Å; H65-W88 AromaticContact CE1-CE3 3.62Å; H65-W88 AromaticContact CE1-CZ3 3.55Å; P86-W88 PolarHBondContact O-N 3.2Å; W88-Q90 VanDerWaalsContact C-N 3.34Å; W88-Q90 PolarHBondContact O-N 3.34Å; W88-E91 PolarHBondContact O-N 2.84Å; W88-F92 HydrophobicContact CD2-CB 4.49Å; W88-F92 HydrophobicContact CE3-CB 3.96Å; W88-F92 HydrophobicContact CE3-CG 4.45Å; W88-F92 HydrophobicContact CH2-CB 4.07Å; W88-F92 AromaticContact CH2-CD2 3.61Å; W88-F92 HydrophobicContact CH2-CD2 3.61Å; W88-F92 HydrophobicContact CH2-CE2 4.26Å; W88-F92 AromaticContact CH2-CG 3.88Å; W88-F92 HydrophobicContact CH2-CG 3.88Å; W88-F92 HydrophobicContact CZ2-CD2 4.31Å; W88-F92 HydrophobicContact CZ3-CB 3.72Å; W88-F92 HydrophobicContact CZ3-CD1 4.29Å; W88-F92 AromaticContact CZ3-CD2 3.97Å; W88-F92 HydrophobicContact CZ3-CD2 3.97Å; W88-F92 AromaticContact CZ3-CG 3.72Å; W88-F92 HydrophobicContact CZ3-CG 3.72Å; W88-F92 WeakPolarHBondContact O-CB 3.42Å; W88-F92 PolarHBondContact O-N 2.76Å
89D97.6Very high91.8Very high2 Ų273.6 Ų73.61%0.01137%0.368CS..Hα-helixtrans-63.1-40176-71.4-44.7000112.4W61 H65 I85 P86 E91 F92 L93 V118W61-D89 PolarHBondContact NE1-OD1 3.31Å; H65-D89 IonicContact CE1-OD1 3.93Å; H65-D89 PolarHBondContact CE1-OD1 3Å; H65-D89 IonicContact CE1-OD2 3.31Å; H65-D89 IonicContact NE2-OD1 3.06Å; H65-D89 PolarHBondContact NE2-OD1 3.05Å; H65-D89 IonicContact NE2-OD2 3.94Å; H65-D89 PolarHBondContact NE2-OD2 3.05Å; I85-D89 HydrophobicContact CG2-CB 3.65Å; P86-D89 HydrophobicContact CB-CB 4.38Å; P86-D89 WeakPolarHBondContact CB-OD2 3.49Å; P86-D89 VanDerWaalsContact CD-OD2 3.28Å; P86-D89 WeakPolarHBondContact CD-OD2 3.33Å; P86-D89 VanDerWaalsContact CG-OD2 3.23Å; P86-D89 WeakPolarHBondContact CG-OD2 3.19Å; P86-D89 WeakPolarHBondContact O-CB 3.48Å; P86-D89 PolarHBondContact O-N 2.78Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.28Å; D89-F92 PolarHBondContact O-N 3.19Å; D89-L93 VanDerWaalsContact O-CB 3.28Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 VanDerWaalsContact O-CG 3.24Å; D89-L93 WeakPolarHBondContact O-CG 3.46Å; D89-L93 PolarHBondContact O-N 3.37Å; D89-V118 HydrophobicContact CB-CB 4.41Å; D89-V118 HydrophobicContact CB-CG1 4.43Å
90Q97Very high93.4Very high97 Ų9766 Ų6645%0.45333%0.333SS..Hα-helixtrans-58-42.1174.8-67.317936.500111.4I85 P86 V87 W88 K94I85-Q90 HydrophobicContact CB-CG 4.01Å; I85-Q90 HydrophobicContact CG2-CG 3.75Å; I85-Q90 PolarHBondContact O-NE2 2.94Å; P86-Q90 WeakPolarHBondContact O-CG 3.4Å; P86-Q90 PolarHBondContact O-N 3.37Å; V87-Q90 PolarHBondContact O-N 3.17Å; W88-Q90 VanDerWaalsContact C-N 3.34Å; W88-Q90 PolarHBondContact O-N 3.34Å; Q90-K94 WeakPolarHBondContact O-CG 3.26Å; Q90-K94 PolarHBondContact O-N 2.91Å
91E98Very high94.6Very high116 Ų11662.4 Ų62.454%0.54232%0.318SS..Hα-helixtrans-71.4-43.4176.5-171.161.9-148.700111.8V87 W88 D89 L93 K94V87-E91 PolarHBondContact O-N 2.99Å; V87-E91 VanDerWaalsContact O-N 3.15Å; W88-E91 PolarHBondContact O-N 2.84Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.28Å; E91-L93 VanDerWaalsContact C-N 3.25Å; E91-L93 PolarHBondContact O-N 3.23Å; E91-K94 WeakPolarHBondContact O-CB 3.3Å; E91-K94 PolarHBondContact O-N 3.43Å; E91-K94 VanDerWaalsContact O-N 3.14Å; E91-K94 WeakPolarHBondContact OE2-CD 3.35Å; E91-K94 WeakPolarHBondContact OE2-CE 3.49Å; E91-K94 IonicContact OE2-NZ 3.33Å; E91-K94 PolarHBondContact OE2-NZ 3.02Å
92F98.5Very high95.5Very high15 Ų1560.6 Ų60.67%0.06632%0.315CS..Hα-helixtrans-59.1-37.1178.4174.1-99.1000112.4K57 Q60 W61 W88 D89 L103 L115K57-F92 HydrophobicContact CB-CE2 4.37Å; K57-F92 HydrophobicContact CB-CZ 4.01Å; K57-F92 HydrophobicContact CG-CE2 4.49Å; K57-F92 HydrophobicContact CG-CZ 4.49Å; K57-F92 VanDerWaalsContact O-CZ 3.28Å; K57-F92 WeakPolarHBondContact O-CZ 3.32Å; Q60-F92 HydrophobicContact CB-CE2 4.32Å; Q60-F92 HydrophobicContact CG-CE2 4.22Å; W61-F92 HydrophobicContact CB-CE1 3.96Å; W61-F92 HydrophobicContact CB-CE2 4.34Å; W61-F92 HydrophobicContact CB-CZ 3.77Å; W61-F92 AromaticContact CD1-CD1 3.64Å; W61-F92 AromaticContact CD1-CE1 3.56Å; W61-F92 HydrophobicContact CG-CE1 4.1Å; W61-F92 HydrophobicContact CG-CZ 4.4Å; W88-F92 HydrophobicContact CD2-CB 4.49Å; W88-F92 HydrophobicContact CE3-CB 3.96Å; W88-F92 HydrophobicContact CE3-CG 4.45Å; W88-F92 HydrophobicContact CH2-CB 4.07Å; W88-F92 AromaticContact CH2-CD2 3.61Å; W88-F92 HydrophobicContact CH2-CD2 3.61Å; W88-F92 HydrophobicContact CH2-CE2 4.26Å; W88-F92 AromaticContact CH2-CG 3.88Å; W88-F92 HydrophobicContact CH2-CG 3.88Å; W88-F92 HydrophobicContact CZ2-CD2 4.31Å; W88-F92 HydrophobicContact CZ3-CB 3.72Å; W88-F92 HydrophobicContact CZ3-CD1 4.29Å; W88-F92 AromaticContact CZ3-CD2 3.97Å; W88-F92 HydrophobicContact CZ3-CD2 3.97Å; W88-F92 AromaticContact CZ3-CG 3.72Å; W88-F92 HydrophobicContact CZ3-CG 3.72Å; W88-F92 WeakPolarHBondContact O-CB 3.42Å; W88-F92 PolarHBondContact O-N 2.76Å; D89-F92 PolarHBondContact O-N 3.19Å; F92-L103 HydrophobicContact CE1-CD1 4.43Å; F92-L115 HydrophobicContact CE1-CD1 4.21Å
93L98.3Very high96.1Very high6 Ų659.5 Ų59.53%0.03131%0.308CS..THydrogen-bonded Turntrans-897.1-180-61.8178.2000114D89 E91 V95 L100 L103 V118 T119 T122D89-L93 VanDerWaalsContact O-CB 3.28Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 VanDerWaalsContact O-CG 3.24Å; D89-L93 WeakPolarHBondContact O-CG 3.46Å; D89-L93 PolarHBondContact O-N 3.37Å; E91-L93 VanDerWaalsContact C-N 3.25Å; E91-L93 PolarHBondContact O-N 3.23Å; L93-V95 PolarHBondContact O-N 2.82Å; L93-L100 HydrophobicContact CD2-CD1 4.08Å; L93-L103 HydrophobicContact CD2-CD1 4.17Å; L93-V118 HydrophobicContact CD1-CB 4.14Å; L93-V118 HydrophobicContact CD1-CG2 4.02Å; L93-V118 WeakPolarHBondContact CD1-O 3.42Å; L93-T119 HydrophobicContact CD1-CG2 4.24Å; L93-T119 HydrophobicContact CD2-CG2 3.64Å; L93-T122 HydrophobicContact CB-CG2 4.41Å; L93-T122 WeakPolarHBondContact CD1-OG1 3.36Å
94K97.1Very high96.7Very high147 Ų14756.1 Ų56.164%0.63929%0.289SS*.  trans-73.869.1166-76.4172.4-170173.90110.9Q90 E91Q90-K94 WeakPolarHBondContact O-CG 3.26Å; Q90-K94 PolarHBondContact O-N 2.91Å; E91-K94 WeakPolarHBondContact O-CB 3.3Å; E91-K94 PolarHBondContact O-N 3.43Å; E91-K94 VanDerWaalsContact O-N 3.14Å; E91-K94 WeakPolarHBondContact OE2-CD 3.35Å; E91-K94 WeakPolarHBondContact OE2-CE 3.49Å; E91-K94 IonicContact OE2-NZ 3.33Å; E91-K94 PolarHBondContact OE2-NZ 3.02Å
95V97.8Very high97.2Very high37 Ų3759.6 Ų59.622%0.22431%0.307CS..SBendtrans-122.3170.5176.9-64.20000110.1L93 T99 L100L93-V95 PolarHBondContact O-N 2.82Å; V95-T99 HydrophobicContact CB-CG2 3.82Å; V95-T99 HydrophobicContact CG1-CG2 3.99Å; V95-T99 HydrophobicContact CG2-CG2 3.88Å; V95-L100 HydrophobicContact CG2-CB 4Å
96D96.7Very high97.5Very high99 Ų9959 Ų5953%0.52931%0.305SS..  trans-67159.9169.369.294.5000111.3G98 T99 L100D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.27Å; D96-G98 WeakPolarHBondContact OD1-CA 3.29Å; D96-G98 PolarHBondContact OD1-N 3.43Å; D96-T99 PolarHBondContact O-N 3.48Å; D96-T99 PolarHBondContact OD1-N 2.84Å; D96-T99 WeakPolarHBondContact OD2-CB 3.43Å; D96-T99 PolarHBondContact OD2-OG1 3.09Å; D96-L100 PolarHBondContact O-N 2.96Å
97Q95.1Very high97.7Very high70 Ų7056 Ų5633%0.32729%0.285SS..Hα-helixtrans-60.9-33.8-176.9-65.9-177.719.600113L100 F101 T138Q97-L100 PolarHBondContact O-N 2.92Å; Q97-F101 HydrophobicContact CB-CE2 4.16Å; Q97-F101 WeakPolarHBondContact O-CD2 3.38Å; Q97-F101 VanDerWaalsContact O-CG 3.3Å; Q97-F101 WeakPolarHBondContact O-CG 3.42Å; Q97-F101 PolarHBondContact O-N 3.34Å; Q97-T138 PolarHBondContact NE2-O 3.35Å; Q97-T138 PolarHBondContact OE1-O 2.85Å
98G96.5Very high97.8Very high38 Ų3855.4 Ų55.439%0.39228%0.278SS..Hα-helixtrans-62.6-51.7178.300000110.4D96 L100 F101 E102D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.27Å; D96-G98 WeakPolarHBondContact OD1-CA 3.29Å; D96-G98 PolarHBondContact OD1-N 3.43Å; G98-L100 VanDerWaalsContact C-N 3.3Å; G98-L100 PolarHBondContact O-N 3.49Å; G98-F101 PolarHBondContact O-N 3.32Å; G98-E102 WeakPolarHBondContact O-CG 3.08Å; G98-E102 PolarHBondContact O-N 3.08Å
99T98.1Very high97.9Very high29 Ų2955 Ų5518%0.17828%0.277CS..Hα-helixtrans-58-41.1174.1-59.90000112.1I54 K57 V95 D96 E102 L103I54-T99 HydrophobicContact CD1-CG2 3.98Å; K57-T99 HydrophobicContact CD-CG2 3.95Å; V95-T99 HydrophobicContact CB-CG2 3.82Å; V95-T99 HydrophobicContact CG1-CG2 3.99Å; V95-T99 HydrophobicContact CG2-CG2 3.88Å; D96-T99 PolarHBondContact O-N 3.48Å; D96-T99 PolarHBondContact OD1-N 2.84Å; D96-T99 WeakPolarHBondContact OD2-CB 3.43Å; D96-T99 PolarHBondContact OD2-OG1 3.09Å; T99-E102 PolarHBondContact O-N 2.9Å; T99-L103 HydrophobicContact CG2-CD1 4.27Å; T99-L103 WeakPolarHBondContact O-CB 3.44Å; T99-L103 WeakPolarHBondContact O-CG 3.38Å; T99-L103 PolarHBondContact O-N 2.74Å
100L98.3Very high97.9Very high1 Ų155 Ų551%0.00528%0.277CS..Hα-helixtrans-62.9-43.3177.8-178.561.3000111.9L93 V95 D96 Q97 G98 L103 I104 T119 T122 V123 M126L93-L100 HydrophobicContact CD2-CD1 4.08Å; V95-L100 HydrophobicContact CG2-CB 4Å; D96-L100 PolarHBondContact O-N 2.96Å; Q97-L100 PolarHBondContact O-N 2.92Å; G98-L100 VanDerWaalsContact C-N 3.3Å; G98-L100 PolarHBondContact O-N 3.49Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 PolarHBondContact O-N 3.35Å; L100-I104 HydrophobicContact CG-CD1 4.48Å; L100-I104 WeakPolarHBondContact O-CG1 3.33Å; L100-I104 PolarHBondContact O-N 2.86Å; L100-T119 HydrophobicContact CD1-CG2 4.06Å; L100-T122 HydrophobicContact CD1-CG2 4.35Å; L100-T122 HydrophobicContact CD2-CG2 3.85Å; L100-V123 HydrophobicContact CD2-CG2 3.67Å; L100-V123 HydrophobicContact CG-CG2 4.18Å; L100-M126 HydrophobicContact CD2-CE 3.68Å; L100-M126 HydrophobicContact CD2-SD 4.23Å
101F98Very high97.9Very high80 Ų8053.2 Ų53.235%0.35127%0.27SS..Hα-helixtrans-68.4-39.2177.3-66.3-38.5000112.5Q97 G98 L103 I104 L105 V123 F139Q97-F101 HydrophobicContact CB-CE2 4.16Å; Q97-F101 WeakPolarHBondContact O-CD2 3.38Å; Q97-F101 VanDerWaalsContact O-CG 3.3Å; Q97-F101 WeakPolarHBondContact O-CG 3.42Å; Q97-F101 PolarHBondContact O-N 3.34Å; G98-F101 PolarHBondContact O-N 3.32Å; F101-L103 VanDerWaalsContact C-N 3.3Å; F101-L103 PolarHBondContact O-N 2.97Å; F101-I104 HydrophobicContact CD1-CD1 4.16Å; F101-I104 WeakPolarHBondContact O-CB 3.45Å; F101-I104 PolarHBondContact O-N 3.33Å; F101-L105 WeakPolarHBondContact O-CG 3.42Å; F101-L105 PolarHBondContact O-N 3.18Å; F101-V123 HydrophobicContact CE1-CG2 4.09Å; F101-F139 HydrophobicContact CE1-CE1 4.48Å; F101-F139 HydrophobicContact CE2-CD1 4.5Å; F101-F139 AromaticContact CZ-CD1 3.76Å; F101-F139 HydrophobicContact CZ-CD1 3.76Å; F101-F139 AromaticContact CZ-CE1 3.84Å; F101-F139 HydrophobicContact CZ-CE1 3.84Å
102E98.5Very high97.9Very high88 Ų8847.9 Ų47.941%0.41125%0.245SC..Hα-helixtrans-63.5-36.9173.7-69.7-172159.800111.8N51 I54 G98 T99 L105 A106N51-E102 PolarHBondContact ND2-OE2 3.19Å; I54-E102 HydrophobicContact CD1-CB 3.51Å; I54-E102 HydrophobicContact CD1-CG 4.47Å; I54-E102 VanDerWaalsContact CD1-OE2 3.26Å; I54-E102 WeakPolarHBondContact CD1-OE2 3.44Å; I54-E102 HydrophobicContact CG1-CB 3.69Å; I54-E102 HydrophobicContact CG1-CG 4.49Å; I54-E102 WeakPolarHBondContact CG1-OE2 3.18Å; I54-E102 HydrophobicContact CG2-CB 4.48Å; G98-E102 WeakPolarHBondContact O-CG 3.08Å; G98-E102 PolarHBondContact O-N 3.08Å; T99-E102 PolarHBondContact O-N 2.9Å; E102-L105 PolarHBondContact O-N 3.12Å; E102-A106 WeakPolarHBondContact O-CB 3.44Å; E102-A106 PolarHBondContact O-N 3.02Å
103L98.7Very high97.6Very high0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-62.9-41.1171.9-76.4169.1000112.3I54 K57 V58 F92 L93 T99 L100 F101 A106 A107 T119I54-L103 HydrophobicContact CD1-CG 4.45Å; I54-L103 HydrophobicContact CG2-CD2 4.11Å; K57-L103 HydrophobicContact CB-CD2 3.85Å; K57-L103 HydrophobicContact CD-CD1 4.38Å; V58-L103 HydrophobicContact CG2-CD2 4.09Å; F92-L103 HydrophobicContact CE1-CD1 4.43Å; L93-L103 HydrophobicContact CD2-CD1 4.17Å; T99-L103 HydrophobicContact CG2-CD1 4.27Å; T99-L103 WeakPolarHBondContact O-CB 3.44Å; T99-L103 WeakPolarHBondContact O-CG 3.38Å; T99-L103 PolarHBondContact O-N 2.74Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 PolarHBondContact O-N 3.35Å; F101-L103 VanDerWaalsContact C-N 3.3Å; F101-L103 PolarHBondContact O-N 2.97Å; L103-A106 PolarHBondContact O-N 3.42Å; L103-A107 VanDerWaalsContact O-CB 3.23Å; L103-A107 WeakPolarHBondContact O-CB 3.45Å; L103-A107 PolarHBondContact O-N 3.43Å; L103-T119 HydrophobicContact CB-CG2 4.21Å
104I98.6Very high97.4Very high32 Ų3255.8 Ų55.816%0.16429%0.289CS..Hα-helixtrans-61.6-47.4175.3-69.9168.1000110.5L100 F101 A106 A107 N108 L116 T119 V123L100-I104 HydrophobicContact CG-CD1 4.48Å; L100-I104 WeakPolarHBondContact O-CG1 3.33Å; L100-I104 PolarHBondContact O-N 2.86Å; F101-I104 HydrophobicContact CD1-CD1 4.16Å; F101-I104 WeakPolarHBondContact O-CB 3.45Å; F101-I104 PolarHBondContact O-N 3.33Å; I104-A106 PolarHBondContact O-N 2.57Å; I104-A107 PolarHBondContact O-N 3.38Å; I104-N108 WeakPolarHBondContact O-CB 3.26Å; I104-N108 PolarHBondContact O-N 3.02Å; I104-L116 HydrophobicContact CG2-CD1 3.99Å; I104-T119 VanDerWaalsContact CG1-CB 3.46Å; I104-T119 HydrophobicContact CG1-CG2 4.37Å; I104-T119 WeakPolarHBondContact CG1-OG1 3.38Å; I104-V123 HydrophobicContact CD1-CG2 3.63Å
105L98.5Very high97.4Very high117 Ų11748.8 Ų48.861%0.61326%0.258SS*.Hα-helixtrans-62.7-43.5179.3-69.2174.4000111.5F101 E102 Y109F101-L105 WeakPolarHBondContact O-CG 3.42Å; F101-L105 PolarHBondContact O-N 3.18Å; E102-L105 PolarHBondContact O-N 3.12Å; L105-Y109 VanDerWaalsContact O-CB 3.23Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 PolarHBondContact O-N 2.87Å
106A98.7Very high97.4Very high2 Ų249.2 Ų49.22%0.01726%0.259CS..Hα-helixtrans-65.3-43.9176.700000112V50 I54 V58 E102 L103 I104 N108 Y109 L110V50-A106 HydrophobicContact CG1-CB 3.96Å; V50-A106 HydrophobicContact CG2-CB 3.98Å; I54-A106 HydrophobicContact CG2-CB 3.67Å; V58-A106 HydrophobicContact CG2-CB 4.06Å; E102-A106 WeakPolarHBondContact O-CB 3.44Å; E102-A106 PolarHBondContact O-N 3.02Å; L103-A106 PolarHBondContact O-N 3.42Å; I104-A106 PolarHBondContact O-N 2.57Å; A106-N108 VanDerWaalsContact C-N 3.35Å; A106-N108 PolarHBondContact O-N 2.97Å; A106-Y109 PolarHBondContact O-N 3.33Å; A106-L110 WeakPolarHBondContact O-CB 3.45Å; A106-L110 WeakPolarHBondContact O-CG 3.47Å; A106-L110 PolarHBondContact O-N 3.35Å
107A98.4Very high97.3Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-62.9-40.717800000112L103 I104 D111 I112 L115 L116L103-A107 VanDerWaalsContact O-CB 3.23Å; L103-A107 WeakPolarHBondContact O-CB 3.45Å; L103-A107 PolarHBondContact O-N 3.43Å; I104-A107 PolarHBondContact O-N 3.38Å; A107-D111 WeakPolarHBondContact O-CA 3.27Å; A107-D111 PolarHBondContact O-N 3.46Å; A107-I112 PolarHBondContact O-N 2.81Å; A107-L115 HydrophobicContact CB-CB 4.04Å; A107-L115 HydrophobicContact CB-CD2 3.86Å; A107-L115 HydrophobicContact CB-CG 3.75Å; A107-L116 HydrophobicContact CB-CB 4.06Å
108N98.3Very high97.3Very high107 Ų10744.3 Ų44.357%0.57224%0.236SC*.Hα-helixtrans-67.9-45.2174.2178.978.7000111.9I104 A106 L110 D111 L116I104-N108 WeakPolarHBondContact O-CB 3.26Å; I104-N108 PolarHBondContact O-N 3.02Å; A106-N108 VanDerWaalsContact C-N 3.35Å; A106-N108 PolarHBondContact O-N 2.97Å; N108-L110 PolarHBondContact O-N 3.24Å; N108-D111 PolarHBondContact O-N 3.28Å; N108-L116 HydrophobicContact CB-CD1 4.24Å; N108-L116 HydrophobicContact CB-CD2 4.44Å
109Y98.3Very high97.4Very high73 Ų7342.5 Ų42.529%0.28622%0.217SC..Hα-helixtrans-62-41.1179170.5-109.8000112.7T26 L47 N49 V50 L105 A106 D111T26-Y109 PolarHBondContact OG1-O 2.89Å; L47-Y109 HydrophobicContact CD2-CE1 4.38Å; N49-Y109 HydrophobicContact CB-CD1 4.01Å; N49-Y109 HydrophobicContact CB-CD2 4.13Å; N49-Y109 HydrophobicContact CB-CE1 4.06Å; N49-Y109 HydrophobicContact CB-CE2 4.18Å; N49-Y109 HydrophobicContact CB-CG 4.06Å; N49-Y109 WeakPolarHBondContact ND2-CD2 3.44Å; N49-Y109 WeakPolarHBondContact ND2-CE2 3.3Å; V50-Y109 HydrophobicContact CG2-CD1 3.74Å; V50-Y109 HydrophobicContact CG2-CE1 4.18Å; L105-Y109 VanDerWaalsContact O-CB 3.23Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 PolarHBondContact O-N 2.87Å; A106-Y109 PolarHBondContact O-N 3.33Å; Y109-D111 VanDerWaalsContact C-N 3.33Å
110L98.2Very high97.3Very high2 Ų243.9 Ų43.91%0.0123%0.227CC..THydrogen-bonded Turntrans-85.8-5179.2-63.7173.8000112.8S24 T26 I27 L47 V50 V58 A106 N108 I112S24-L110 WeakPolarHBondContact CA-O 3.49Å; S24-L110 WeakPolarHBondContact CB-O 3.39Å; S24-L110 PolarHBondContact OG-O 3.1Å; T26-L110 PolarHBondContact N-O 2.96Å; T26-L110 PolarHBondContact OG1-O 3.08Å; I27-L110 HydrophobicContact CD1-CD2 4.27Å; I27-L110 HydrophobicContact CG1-CD2 4.48Å; L47-L110 HydrophobicContact CD1-CD2 4.14Å; L47-L110 HydrophobicContact CD2-CD2 3.81Å; V50-L110 HydrophobicContact CG2-CD1 4.41Å; V58-L110 HydrophobicContact CG1-CD1 4.02Å; A106-L110 WeakPolarHBondContact O-CB 3.45Å; A106-L110 WeakPolarHBondContact O-CG 3.47Å; A106-L110 PolarHBondContact O-N 3.35Å; N108-L110 PolarHBondContact O-N 3.24Å; L110-I112 HydrophobicContact CB-CD1 3.81Å; L110-I112 HydrophobicContact CB-CG1 3.89Å; L110-I112 HydrophobicContact CD1-CD1 4.01Å
111D97.3Very high97.2Very high58 Ų5844.3 Ų44.331%0.3123%0.229SC..THydrogen-bonded Turntrans49.963.8-172-169.66.8000112.2V25 A107 N108 Y109V25-D111 HydrophobicContact CB-CB 3.95Å; V25-D111 WeakPolarHBondContact CB-OD2 3.46Å; V25-D111 HydrophobicContact CG2-CB 4.45Å; V25-D111 PolarHBondContact N-O 3.42Å; V25-D111 VanDerWaalsContact N-O 3.12Å; A107-D111 WeakPolarHBondContact O-CA 3.27Å; A107-D111 PolarHBondContact O-N 3.46Å; N108-D111 PolarHBondContact O-N 3.28Å; Y109-D111 VanDerWaalsContact C-N 3.33Å
112I97.1Very high97.1Very high5 Ų541.4 Ų41.43%0.02622%0.218CC..  trans-109.385.1174.3-54.8169.4000107.8V58 W61 A107 L110 G114 L115 L116V58-I112 HydrophobicContact CG1-CD1 3.4Å; W61-I112 HydrophobicContact CE3-CG2 4.25Å; W61-I112 HydrophobicContact CZ3-CG2 3.96Å; A107-I112 PolarHBondContact O-N 2.81Å; L110-I112 HydrophobicContact CB-CD1 3.81Å; L110-I112 HydrophobicContact CB-CG1 3.89Å; L110-I112 HydrophobicContact CD1-CD1 4.01Å; I112-G114 VanDerWaalsContact C-N 3.35Å; I112-G114 PolarHBondContact O-N 2.82Å; I112-L115 HydrophobicContact CB-CB 4.24Å; I112-L115 HydrophobicContact CG2-CB 3.69Å; I112-L115 PolarHBondContact O-N 3.5Å; I112-L116 PolarHBondContact O-N 2.77Å
113K93.8Very high97Very high152 Ų15238.3 Ų38.366%0.66121%0.205SC*.Hα-helixtrans-54.9-44-171.1-63.7-177.5-178.9178.90114.1L116 D117K113-L116 PolarHBondContact O-N 2.87Å; K113-D117 WeakPolarHBondContact O-CB 3.28Å; K113-D117 PolarHBondContact O-N 3.04Å
114G93.8Very high96.8Very high34 Ų3440.1 Ų40.135%0.35122%0.22SC..Hα-helixtrans-63-46-179.200000112.4I112 D117 V118I112-G114 VanDerWaalsContact C-N 3.35Å; I112-G114 PolarHBondContact O-N 2.82Å; G114-D117 PolarHBondContact O-N 3.32Å; G114-V118 WeakPolarHBondContact O-CG2 3.24Å; G114-V118 PolarHBondContact O-N 3.21Å; G114-V118 VanDerWaalsContact O-N 3.1Å
115L97.1Very high96.6Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-64.8-41.1176.3-179.958.5000111.5V58 W61 F92 A107 I112 D117 V118 T119V58-L115 HydrophobicContact CG1-CD2 4.36Å; V58-L115 HydrophobicContact CG2-CD2 4Å; W61-L115 HydrophobicContact CB-CD1 4.33Å; W61-L115 HydrophobicContact CD2-CB 3.9Å; W61-L115 HydrophobicContact CD2-CD1 3.95Å; W61-L115 HydrophobicContact CD2-CG 4.37Å; W61-L115 HydrophobicContact CE3-CB 3.88Å; W61-L115 HydrophobicContact CG-CD1 3.72Å; W61-L115 HydrophobicContact CG-CG 4.49Å; W61-L115 HydrophobicContact CH2-CB 4.38Å; W61-L115 HydrophobicContact CZ2-CB 4.35Å; W61-L115 HydrophobicContact CZ3-CB 4.14Å; F92-L115 HydrophobicContact CE1-CD1 4.21Å; A107-L115 HydrophobicContact CB-CB 4.04Å; A107-L115 HydrophobicContact CB-CD2 3.86Å; A107-L115 HydrophobicContact CB-CG 3.75Å; I112-L115 HydrophobicContact CB-CB 4.24Å; I112-L115 HydrophobicContact CG2-CB 3.69Å; I112-L115 PolarHBondContact O-N 3.5Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-V118 HydrophobicContact CD1-CG2 4.35Å; L115-V118 WeakPolarHBondContact O-CG2 3.28Å; L115-T119 HydrophobicContact CD1-CG2 3.79Å; L115-T119 HydrophobicContact CG-CG2 4.31Å; L115-T119 WeakPolarHBondContact O-CB 3.43Å; L115-T119 WeakPolarHBondContact O-CG2 3.3Å; L115-T119 PolarHBondContact O-N 3.44Å; L115-T119 PolarHBondContact O-OG1 2.86Å
116L96.9Very high96.4Very high47 Ų4738.8 Ų38.825%0.24621%0.213CC..Hα-helixtrans-61.2-43.9176.2-175.959.9000111.2I104 A107 N108 I112 K113 T119 C120I104-L116 HydrophobicContact CG2-CD1 3.99Å; A107-L116 HydrophobicContact CB-CB 4.06Å; N108-L116 HydrophobicContact CB-CD1 4.24Å; N108-L116 HydrophobicContact CB-CD2 4.44Å; I112-L116 PolarHBondContact O-N 2.77Å; K113-L116 PolarHBondContact O-N 2.87Å; L116-T119 WeakPolarHBondContact CA-OG1 3.4Å; L116-T119 PolarHBondContact O-OG1 2.87Å; L116-C120 VanDerWaalsContact O-CB 3.25Å; L116-C120 WeakPolarHBondContact O-CB 3.43Å; L116-C120 PolarHBondContact O-N 3.38Å; L116-C120 PolarHBondContact O-SG 3.18Å
117D94.3Very high96.2Very high56 Ų5642.1 Ų42.130%0.29923%0.229SC..Hα-helixtrans-59.3-55.9177-174.955.5000111.8K113 G114 L115 T119 C120 K121K113-D117 WeakPolarHBondContact O-CB 3.28Å; K113-D117 PolarHBondContact O-N 3.04Å; G114-D117 PolarHBondContact O-N 3.32Å; L115-D117 VanDerWaalsContact C-N 3.35Å; D117-T119 VanDerWaalsContact C-N 3.31Å; D117-T119 PolarHBondContact O-N 3.14Å; D117-C120 PolarHBondContact O-N 3.31Å; D117-K121 VanDerWaalsContact CG-CE 3.47Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 VanDerWaalsContact O-CG 3.32Å; D117-K121 WeakPolarHBondContact O-CG 3.17Å; D117-K121 PolarHBondContact O-N 3.15Å; D117-K121 WeakPolarHBondContact OD1-CE 3.39Å; D117-K121 IonicContact OD1-NZ 2.97Å; D117-K121 WeakPolarHBondContact OD2-CE 3.31Å; D117-K121 IonicContact OD2-NZ 3.97Å; D117-K121 PolarHBondContact OD2-NZ 2.91Å
118V95.9Very high95.9Very high9 Ų948.9 Ų48.96%0.05526%0.259CS..Hα-helixtrans-66.6-32.6-175.6-62.60000112.8W61 I85 D89 L93 G114 L115 T122W61-V118 HydrophobicContact CZ2-CG2 4.35Å; I85-V118 HydrophobicContact CG2-CB 4.44Å; I85-V118 HydrophobicContact CG2-CG1 4.49Å; D89-V118 HydrophobicContact CB-CB 4.41Å; D89-V118 HydrophobicContact CB-CG1 4.43Å; L93-V118 HydrophobicContact CD1-CB 4.14Å; L93-V118 HydrophobicContact CD1-CG2 4.02Å; L93-V118 WeakPolarHBondContact CD1-O 3.42Å; G114-V118 WeakPolarHBondContact O-CG2 3.24Å; G114-V118 PolarHBondContact O-N 3.21Å; G114-V118 VanDerWaalsContact O-N 3.1Å; L115-V118 HydrophobicContact CD1-CG2 4.35Å; L115-V118 WeakPolarHBondContact O-CG2 3.28Å; V118-T122 WeakPolarHBondContact O-CB 3.38Å; V118-T122 PolarHBondContact O-N 3.42Å; V118-T122 PolarHBondContact O-OG1 2.66Å
119T97.9Very high95.5Very high0 Ų047.9 Ų47.90%027%0.274CS..Hα-helixtrans-71.5-43.8175.453.40000111.5L93 L100 L103 I104 L115 L116 D117 T122 V123L93-T119 HydrophobicContact CD1-CG2 4.24Å; L93-T119 HydrophobicContact CD2-CG2 3.64Å; L100-T119 HydrophobicContact CD1-CG2 4.06Å; L103-T119 HydrophobicContact CB-CG2 4.21Å; I104-T119 VanDerWaalsContact CG1-CB 3.46Å; I104-T119 HydrophobicContact CG1-CG2 4.37Å; I104-T119 WeakPolarHBondContact CG1-OG1 3.38Å; L115-T119 HydrophobicContact CD1-CG2 3.79Å; L115-T119 HydrophobicContact CG-CG2 4.31Å; L115-T119 WeakPolarHBondContact O-CB 3.43Å; L115-T119 WeakPolarHBondContact O-CG2 3.3Å; L115-T119 PolarHBondContact O-N 3.44Å; L115-T119 PolarHBondContact O-OG1 2.86Å; L116-T119 WeakPolarHBondContact CA-OG1 3.4Å; L116-T119 PolarHBondContact O-OG1 2.87Å; D117-T119 VanDerWaalsContact C-N 3.31Å; D117-T119 PolarHBondContact O-N 3.14Å; T119-T122 WeakPolarHBondContact O-CB 3.26Å; T119-T122 PolarHBondContact O-N 3.45Å; T119-V123 PolarHBondContact O-N 3.19Å
120C96.2Very high95.3Very high59 Ų5947.8 Ų47.840%0.39928%0.275SS..Hα-helixtrans-63-43.2173.3-75.80000112.4L116 D117 T122 V123 A124L116-C120 VanDerWaalsContact O-CB 3.25Å; L116-C120 WeakPolarHBondContact O-CB 3.43Å; L116-C120 PolarHBondContact O-N 3.38Å; L116-C120 PolarHBondContact O-SG 3.18Å; D117-C120 PolarHBondContact O-N 3.31Å; C120-T122 VanDerWaalsContact C-N 3.28Å; C120-T122 PolarHBondContact O-N 3.27Å; C120-V123 PolarHBondContact O-N 2.83Å; C120-A124 WeakPolarHBondContact O-CB 3.43Å; C120-A124 PolarHBondContact O-N 3.35Å
121K95.7Very high95Very high10 Ų1050.7 Ų50.74%0.04329%0.293CS..Hα-helixtrans-60.3-39.1174.5-74.4178.3176.7-178.30111.9K78 R81 D84 I85 D117 A124 N125K78-K121 PolarHBondContact O-NZ 2.84Å; R81-K121 WeakPolarHBondContact O-CD 3.17Å; R81-K121 WeakPolarHBondContact O-CE 3.39Å; R81-K121 PolarHBondContact O-NZ 3.45Å; D84-K121 IonicContact OD1-NZ 3.08Å; D84-K121 PolarHBondContact OD1-NZ 2.87Å; D84-K121 IonicContact OD2-NZ 3.82Å; D84-K121 PolarHBondContact OD2-NZ 3.01Å; D84-K121 VanDerWaalsContact OD2-NZ 3.08Å; I85-K121 HydrophobicContact CD1-CB 3.72Å; I85-K121 HydrophobicContact CG1-CB 3.91Å; I85-K121 HydrophobicContact CG1-CD 4.24Å; D117-K121 VanDerWaalsContact CG-CE 3.47Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 VanDerWaalsContact O-CG 3.32Å; D117-K121 WeakPolarHBondContact O-CG 3.17Å; D117-K121 PolarHBondContact O-N 3.15Å; D117-K121 WeakPolarHBondContact OD1-CE 3.39Å; D117-K121 IonicContact OD1-NZ 2.97Å; D117-K121 WeakPolarHBondContact OD2-CE 3.31Å; D117-K121 IonicContact OD2-NZ 3.97Å; D117-K121 PolarHBondContact OD2-NZ 2.91Å; K121-A124 PolarHBondContact O-N 3.28Å; K121-N125 PolarHBondContact O-N 3.5Å; K121-N125 PolarHBondContact O-ND2 2.96Å
122T96.6Very high94.7Very high19 Ų1951.6 Ų51.612%0.11730%0.302CS..Hα-helixtrans-60.5-47.3174.2-64.30000111.6L93 L100 V118 T119 C120 N125 M126L93-T122 HydrophobicContact CB-CG2 4.41Å; L93-T122 WeakPolarHBondContact CD1-OG1 3.36Å; L100-T122 HydrophobicContact CD1-CG2 4.35Å; L100-T122 HydrophobicContact CD2-CG2 3.85Å; V118-T122 WeakPolarHBondContact O-CB 3.38Å; V118-T122 PolarHBondContact O-N 3.42Å; V118-T122 PolarHBondContact O-OG1 2.66Å; T119-T122 WeakPolarHBondContact O-CB 3.26Å; T119-T122 PolarHBondContact O-N 3.45Å; C120-T122 VanDerWaalsContact C-N 3.28Å; C120-T122 PolarHBondContact O-N 3.27Å; T122-N125 PolarHBondContact O-N 3.13Å; T122-M126 HydrophobicContact CG2-CE 3.97Å; T122-M126 WeakPolarHBondContact O-CG 3.4Å; T122-M126 PolarHBondContact O-N 3.28Å; T122-M126 VanDerWaalsContact O-N 3.16Å
123V96.3Very high94.5Very high23 Ų2355.3 Ų55.314%0.13932%0.319CS..Hα-helixtrans-63.2-42.1175.1174.30000111.5L100 F101 I104 T119 C120 N125 M126 I127 F139L100-V123 HydrophobicContact CD2-CG2 3.67Å; L100-V123 HydrophobicContact CG-CG2 4.18Å; F101-V123 HydrophobicContact CE1-CG2 4.09Å; I104-V123 HydrophobicContact CD1-CG2 3.63Å; T119-V123 PolarHBondContact O-N 3.19Å; C120-V123 PolarHBondContact O-N 2.83Å; V123-N125 VanDerWaalsContact C-N 3.3Å; V123-N125 PolarHBondContact O-N 3.12Å; V123-M126 WeakPolarHBondContact O-CA 3.28Å; V123-M126 VanDerWaalsContact O-CB 3.31Å; V123-M126 WeakPolarHBondContact O-CB 3.23Å; V123-M126 PolarHBondContact O-N 3.49Å; V123-I127 HydrophobicContact CG1-CD1 4.1Å; V123-I127 PolarHBondContact O-N 3.04Å; V123-F139 HydrophobicContact CG1-CE1 4.34Å; V123-F139 HydrophobicContact CG1-CZ 4.24Å
124A95Very high94.5Very high38 Ų3852.6 Ų52.631%0.31431%0.309SS..Hα-helixtrans-60.3-40.1177.200000111.8T82 C120 K121 M126 I127 K128T82-A124 HydrophobicContact CG2-CB 3.77Å; C120-A124 WeakPolarHBondContact O-CB 3.43Å; C120-A124 PolarHBondContact O-N 3.35Å; K121-A124 PolarHBondContact O-N 3.28Å; A124-M126 VanDerWaalsContact C-N 3.27Å; A124-M126 PolarHBondContact O-N 2.91Å; A124-I127 PolarHBondContact O-N 3.35Å; A124-K128 WeakPolarHBondContact O-CB 3.41Å; A124-K128 PolarHBondContact O-N 2.91Å
125N94.2Very high94.5Very high68 Ų6852.9 Ų52.936%0.36430%0.302SS..Hα-helixtrans-64.8-28.4172.8-78.4-31.4000113.3T82 K121 T122 V123 I127T82-N125 WeakPolarHBondContact CB-OD1 3.38Å; T82-N125 PolarHBondContact O-ND2 3.23Å; T82-N125 PolarHBondContact OG1-OD1 3.37Å; K121-N125 PolarHBondContact O-N 3.5Å; K121-N125 PolarHBondContact O-ND2 2.96Å; T122-N125 PolarHBondContact O-N 3.13Å; V123-N125 VanDerWaalsContact C-N 3.3Å; V123-N125 PolarHBondContact O-N 3.12Å; N125-I127 VanDerWaalsContact C-N 3.27Å; N125-I127 PolarHBondContact O-N 3.36Å
126M94.2Very high94.4Very high53 Ų5355.2 Ų55.226%0.26131%0.311SS..Hα-helixtrans-72.5-19.9172.5-64.2178.2-178.900113L100 T122 V123 A124 K130 F139L100-M126 HydrophobicContact CD2-CE 3.68Å; L100-M126 HydrophobicContact CD2-SD 4.23Å; T122-M126 HydrophobicContact CG2-CE 3.97Å; T122-M126 WeakPolarHBondContact O-CG 3.4Å; T122-M126 PolarHBondContact O-N 3.28Å; T122-M126 VanDerWaalsContact O-N 3.16Å; V123-M126 WeakPolarHBondContact O-CA 3.28Å; V123-M126 VanDerWaalsContact O-CB 3.31Å; V123-M126 WeakPolarHBondContact O-CB 3.23Å; V123-M126 PolarHBondContact O-N 3.49Å; A124-M126 VanDerWaalsContact C-N 3.27Å; A124-M126 PolarHBondContact O-N 2.91Å; M126-K130 WeakPolarHBondContact O-CD 3.48Å; M126-K130 WeakPolarHBondContact O-CE 3.48Å; M126-K130 PolarHBondContact O-NZ 2.92Å; M126-F139 HydrophobicContact CB-CZ 4.07Å
127I94.5Very high94.3Very high71 Ų7161.7 Ų61.736%0.36434%0.337SS..Hα-helixtrans-94-37.4179.3-66.8165.2000110.9V123 A124 N125 G129 K130 I135 F139V123-I127 HydrophobicContact CG1-CD1 4.1Å; V123-I127 PolarHBondContact O-N 3.04Å; A124-I127 PolarHBondContact O-N 3.35Å; N125-I127 VanDerWaalsContact C-N 3.27Å; N125-I127 PolarHBondContact O-N 3.36Å; I127-G129 PolarHBondContact O-N 3.38Å; I127-K130 WeakPolarHBondContact O-CB 3.49Å; I127-K130 PolarHBondContact O-N 3.44Å; I127-K130 VanDerWaalsContact O-N 3.1Å; I127-I135 HydrophobicContact CG2-CD1 3.79Å; I127-I135 HydrophobicContact CG2-CG1 4.34Å; I127-F139 HydrophobicContact CD1-CE2 4.28Å; I127-F139 HydrophobicContact CD1-CZ 4.32Å; I127-F139 HydrophobicContact CG1-CE2 3.56Å; I127-F139 HydrophobicContact CG1-CZ 3.81Å
128K91.9Very high94.1Very high142 Ų14260.9 Ų60.962%0.61733%0.334SS*.THydrogen-bonded Turntrans-52.9125.8-173.8-171.5175.7-176.3174.80112A124 K130A124-K128 WeakPolarHBondContact O-CB 3.41Å; A124-K128 PolarHBondContact O-N 2.91Å; K128-K130 VanDerWaalsContact C-N 3.27Å; K128-K130 PolarHBondContact O-N 3.04Å
129G90.7Very high94.1Very high86 Ų8662.2 Ų62.289%0.88734%0.339SS*.THydrogen-bonded Turntrans76.65.2176.200000115.5I127I127-G129 PolarHBondContact O-N 3.38Å
130K93.6Very high93.8Very high72 Ų7269.5 Ų69.531%0.31338%0.378SS..  trans-92.3150.8175.8-68.1-170.6-179.7167.40112.5M126 I127 K128 E134 I135 T138M126-K130 WeakPolarHBondContact O-CD 3.48Å; M126-K130 WeakPolarHBondContact O-CE 3.48Å; M126-K130 PolarHBondContact O-NZ 2.92Å; I127-K130 WeakPolarHBondContact O-CB 3.49Å; I127-K130 PolarHBondContact O-N 3.44Å; I127-K130 VanDerWaalsContact O-N 3.1Å; K128-K130 VanDerWaalsContact C-N 3.27Å; K128-K130 PolarHBondContact O-N 3.04Å; K130-E134 VanDerWaalsContact CA-OE2 3.29Å; K130-E134 WeakPolarHBondContact CA-OE2 3.32Å; K130-E134 HydrophobicContact CB-CB 4.01Å; K130-E134 HydrophobicContact CD-CB 4.3Å; K130-E134 HydrophobicContact CG-CB 4.4Å; K130-I135 HydrophobicContact CB-CD1 4.31Å; K130-I135 HydrophobicContact CB-CG1 3.73Å; K130-I135 HydrophobicContact CD-CG1 4.49Å; K130-T138 PolarHBondContact NZ-OG1 3.22Å
131T92.2Very high93.7Very high62 Ų6271.1 Ų71.138%0.3838%0.382SS..  trans-74.3160.3170.384.80000111.2E133 E134 I135T131-E133 WeakPolarHBondContact CB-OE2 3.47Å; T131-E133 PolarHBondContact O-N 2.94Å; T131-E133 PolarHBondContact OG1-N 2.93Å; T131-E133 PolarHBondContact OG1-OE2 3.15Å; T131-E134 PolarHBondContact N-OE2 3.33Å; T131-E134 PolarHBondContact O-N 3.1Å; T131-E134 VanDerWaalsContact O-N 3.11Å; T131-E134 PolarHBondContact OG1-N 3.14Å; T131-I135 WeakPolarHBondContact O-CG1 3.36Å; T131-I135 PolarHBondContact O-N 3.31Å
132P90.8Very high93.5Very high78 Ų7878.8 Ų78.851%0.50642%0.415SS..Hα-helixtrans-52.1-39173.3-28.336.8000113.6I135 R136P132-I135 PolarHBondContact O-N 3.2Å; P132-R136 WeakPolarHBondContact O-CB 3.37Å; P132-R136 VanDerWaalsContact O-CG 3.3Å; P132-R136 WeakPolarHBondContact O-CG 3.48Å; P132-R136 PolarHBondContact O-N 3.41Å
133E92.1Very high93.3Very high82 Ų8281 Ų8138%0.38343%0.426SS..Hα-helixtrans-67.6-41178.3-58.472-153.400111.9T131 R136 K137T131-E133 WeakPolarHBondContact CB-OE2 3.47Å; T131-E133 PolarHBondContact O-N 2.94Å; T131-E133 PolarHBondContact OG1-N 2.93Å; T131-E133 PolarHBondContact OG1-OE2 3.15Å; E133-R136 PolarHBondContact O-N 2.8Å; E133-K137 WeakPolarHBondContact O-CB 3.45Å; E133-K137 PolarHBondContact O-N 2.76Å
134E94.2Very high93.1Very high96 Ų9685.7 Ų85.745%0.44945%0.451SS..Hα-helixtrans-66.9-39.3176.1-68.5179.413700112K130 T131 K137 T138K130-E134 VanDerWaalsContact CA-OE2 3.29Å; K130-E134 WeakPolarHBondContact CA-OE2 3.32Å; K130-E134 HydrophobicContact CB-CB 4.01Å; K130-E134 HydrophobicContact CD-CB 4.3Å; K130-E134 HydrophobicContact CG-CB 4.4Å; T131-E134 PolarHBondContact N-OE2 3.33Å; T131-E134 PolarHBondContact O-N 3.1Å; T131-E134 VanDerWaalsContact O-N 3.11Å; T131-E134 PolarHBondContact OG1-N 3.14Å; E134-K137 PolarHBondContact O-N 3.43Å; E134-T138 VanDerWaalsContact O-CB 3.3Å; E134-T138 WeakPolarHBondContact O-CB 3.41Å; E134-T138 PolarHBondContact O-N 2.98Å; E134-T138 PolarHBondContact O-OG1 3.41Å
135I95.1Very high92.9Very high39 Ų3987.9 Ų87.920%0.245%0.453CS..Hα-helixtrans-62.5-50.1173.8-67165.4000109.3I127 K130 T131 P132 K137 T138 F139I127-I135 HydrophobicContact CG2-CD1 3.79Å; I127-I135 HydrophobicContact CG2-CG1 4.34Å; K130-I135 HydrophobicContact CB-CD1 4.31Å; K130-I135 HydrophobicContact CB-CG1 3.73Å; K130-I135 HydrophobicContact CD-CG1 4.49Å; T131-I135 WeakPolarHBondContact O-CG1 3.36Å; T131-I135 PolarHBondContact O-N 3.31Å; P132-I135 PolarHBondContact O-N 3.2Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 3.06Å; I135-T138 PolarHBondContact O-N 3.06Å; I135-F139 HydrophobicContact CG2-CD2 3.72Å; I135-F139 HydrophobicContact CG2-CE2 4.12Å; I135-F139 WeakPolarHBondContact O-CD2 3.42Å; I135-F139 PolarHBondContact O-N 3.21Å
136R94.3Very high92.9Very high49 Ų4988.3 Ų88.319%0.18546%0.458CS..Hα-helixtrans-54.6-46177-79-179-176.9123.1-5.5111.9P132 E133 N140 I141 N143P132-R136 WeakPolarHBondContact O-CB 3.37Å; P132-R136 VanDerWaalsContact O-CG 3.3Å; P132-R136 WeakPolarHBondContact O-CG 3.48Å; P132-R136 PolarHBondContact O-N 3.41Å; E133-R136 PolarHBondContact O-N 2.8Å; R136-N140 CarbonylContact O-C 3.59Å; R136-N140 WeakPolarHBondContact O-CA 2.85Å; R136-N140 PolarHBondContact O-N 2.67Å; R136-I141 HydrophobicContact CB-CB 4.45Å; R136-I141 WeakPolarHBondContact CB-O 3.43Å; R136-I141 HydrophobicContact CG-CB 4.21Å; R136-I141 HydrophobicContact CG-CG2 4.4Å; R136-I141 PolarHBondContact O-N 2.83Å; R136-N143 VanDerWaalsContact CZ-OD1 3.31Å; R136-N143 PolarHBondContact NH2-OD1 2.83Å; R136-N143 VanDerWaalsContact NH2-OD1 3.08Å
137K93.9Very high92.8Very high183 Ų18394.4 Ų94.480%0.79649%0.486SS*.Hα-helixtrans-65-42.4176.1-173.6179178.1-177.60112.5E133 E134 I135E133-K137 WeakPolarHBondContact O-CB 3.45Å; E133-K137 PolarHBondContact O-N 2.76Å; E134-K137 PolarHBondContact O-N 3.43Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 3.06Å
138T92Very high92.9Very high40 Ų4099 Ų9925%0.24551%0.506CS..Hα-helixtrans-63-43.9-178.3-60.80000111.6Q97 K130 E134 I135Q97-T138 PolarHBondContact NE2-O 3.35Å; Q97-T138 PolarHBondContact OE1-O 2.85Å; K130-T138 PolarHBondContact NZ-OG1 3.22Å; E134-T138 VanDerWaalsContact O-CB 3.3Å; E134-T138 WeakPolarHBondContact O-CB 3.41Å; E134-T138 PolarHBondContact O-N 2.98Å; E134-T138 PolarHBondContact O-OG1 3.41Å; I135-T138 PolarHBondContact O-N 3.06Å
139F94.1Very high93Very high37 Ų3796.6 Ų96.616%0.16250%0.497CS..THydrogen-bonded Turntrans-1019.6-174.3-65.2-71.8000113.5F101 V123 M126 I127 I135 I141F101-F139 HydrophobicContact CE1-CE1 4.48Å; F101-F139 HydrophobicContact CE2-CD1 4.5Å; F101-F139 AromaticContact CZ-CD1 3.76Å; F101-F139 HydrophobicContact CZ-CD1 3.76Å; F101-F139 AromaticContact CZ-CE1 3.84Å; F101-F139 HydrophobicContact CZ-CE1 3.84Å; V123-F139 HydrophobicContact CG1-CE1 4.34Å; V123-F139 HydrophobicContact CG1-CZ 4.24Å; M126-F139 HydrophobicContact CB-CZ 4.07Å; I127-F139 HydrophobicContact CD1-CE2 4.28Å; I127-F139 HydrophobicContact CD1-CZ 4.32Å; I127-F139 HydrophobicContact CG1-CE2 3.56Å; I127-F139 HydrophobicContact CG1-CZ 3.81Å; I135-F139 HydrophobicContact CG2-CD2 3.72Å; I135-F139 HydrophobicContact CG2-CE2 4.12Å; I135-F139 WeakPolarHBondContact O-CD2 3.42Å; I135-F139 PolarHBondContact O-N 3.21Å; F139-I141 HydrophobicContact CB-CD1 3.77Å; F139-I141 HydrophobicContact CB-CG1 3.82Å; F139-I141 PolarHBondContact O-N 3.46Å
140N92.7Very high93Very high153 Ų15395.3 Ų95.382%0.81847%0.468SS*.THydrogen-bonded Turntrans52.141.4-178.1-165.947.4000113.4R136R136-N140 CarbonylContact O-C 3.59Å; R136-N140 WeakPolarHBondContact O-CA 2.85Å; R136-N140 PolarHBondContact O-N 2.67Å
141I93.7Very high93Very high93 Ų9394.8 Ų94.848%0.47748%0.477SS..  trans-90.3122.2178.6-56.1169.7000108.3R136 F139R136-I141 HydrophobicContact CB-CB 4.45Å; R136-I141 WeakPolarHBondContact CB-O 3.43Å; R136-I141 HydrophobicContact CG-CB 4.21Å; R136-I141 HydrophobicContact CG-CG2 4.4Å; R136-I141 PolarHBondContact O-N 2.83Å; F139-I141 HydrophobicContact CB-CD1 3.77Å; F139-I141 HydrophobicContact CB-CG1 3.82Å; F139-I141 PolarHBondContact O-N 3.46Å
142K92.4Very high93.1Very high171 Ų17197.2 Ų97.274%0.74348%0.484SS*.  trans-66.3135.4174.6-177.6-177.2174.3-170.20109.7D144K142-D144 PolarHBondContact O-N 3.49Å
143N91.7Very high93.1Very high65 Ų6596.3 Ų96.335%0.34848%0.477SS..  trans-72.8106.9164.6-166.512.1000108.6R136 F145 E150R136-N143 VanDerWaalsContact CZ-OD1 3.31Å; R136-N143 PolarHBondContact NH2-OD1 2.83Å; R136-N143 VanDerWaalsContact NH2-OD1 3.08Å; N143-F145 WeakPolarHBondContact OD1-CB 3.36Å; N143-F145 WeakPolarHBondContact OD1-CD2 3.29Å; N143-F145 PolarHBondContact OD1-N 3.21Å; N143-E150 PolarHBondContact ND2-OE2 3.14Å
144D92.3Very high93Very high122 Ų12298.1 Ų98.165%0.65248%0.481SS*.  trans-98.8-0.717760.5-23.1000113.1K142K142-D144 PolarHBondContact O-N 3.49Å
145F90.9Very high93Very high84 Ų84101 Ų10137%0.36849%0.491SS..  trans-70.9137.7173-69.5-103.8000110.3N143 E149 E150 V153N143-F145 WeakPolarHBondContact OD1-CB 3.36Å; N143-F145 WeakPolarHBondContact OD1-CD2 3.29Å; N143-F145 PolarHBondContact OD1-N 3.21Å; F145-E149 HydrophobicContact CB-CB 4.4Å; F145-E149 HydrophobicContact CD1-CB 3.82Å; F145-E150 HydrophobicContact CB-CB 4.21Å; F145-V153 HydrophobicContact CD1-CG2 4.32Å; F145-V153 HydrophobicContact CE1-CG2 3.79Å
146T93.8Very high92.9Very high76 Ų76104.6 Ų104.647%0.46651%0.507SS..  trans-68.6159.7159.361.50000110.4E148 E149 E150T146-E148 PolarHBondContact O-N 2.91Å; T146-E149 WeakPolarHBondContact CB-OE2 3.47Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.26Å; T146-E149 PolarHBondContact N-OE2 3.09Å; T146-E149 PolarHBondContact O-N 3.16Å; T146-E149 VanDerWaalsContact OG1-CD 3.24Å; T146-E149 WeakPolarHBondContact OG1-CG 3.39Å; T146-E149 PolarHBondContact OG1-N 3.44Å; T146-E149 PolarHBondContact OG1-OE2 3.44Å; T146-E150 PolarHBondContact O-N 3.1Å
147E92.8Very high92.7Very high181 Ų181105.6 Ų105.685%0.84652%0.516SS*.Hα-helixtrans-57.4-34.3176.7-65.4-177.617600112.1A151E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.41Å; E147-A151 PolarHBondContact O-N 3.13Å
148E95Very high92.4Very high167 Ų167101.7 Ų101.778%0.7850%0.501SS*.Hα-helixtrans-68.8-45.6177.2-65.2-176.1173.200112T146 A151 Q152T146-E148 PolarHBondContact O-N 2.91Å; E148-A151 PolarHBondContact O-N 3.2Å; E148-Q152 WeakPolarHBondContact O-CB 3.35Å; E148-Q152 PolarHBondContact O-N 3.44Å
149E95Very high92.3Very high92 Ų92106.9 Ų106.943%0.4352%0.516SS..Hα-helixtrans-66.4-39.5177.1-68.4163.6138.800111.5F145 T146 Q152 V153F145-E149 HydrophobicContact CB-CB 4.4Å; F145-E149 HydrophobicContact CD1-CB 3.82Å; T146-E149 WeakPolarHBondContact CB-OE2 3.47Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.26Å; T146-E149 PolarHBondContact N-OE2 3.09Å; T146-E149 PolarHBondContact O-N 3.16Å; T146-E149 VanDerWaalsContact OG1-CD 3.24Å; T146-E149 WeakPolarHBondContact OG1-CG 3.39Å; T146-E149 PolarHBondContact OG1-N 3.44Å; T146-E149 PolarHBondContact OG1-OE2 3.44Å; E149-Q152 PolarHBondContact O-N 2.88Å; E149-V153 WeakPolarHBondContact O-CG2 3.45Å; E149-V153 PolarHBondContact O-N 2.8Å
150E91.5Very high91.7Very high59 Ų59108.3 Ų108.328%0.27653%0.53SS..Hα-helixtrans-63.3-44175.6-171-179.9147.300111.2N143 F145 T146 Q152 V153 R154N143-E150 PolarHBondContact ND2-OE2 3.14Å; F145-E150 HydrophobicContact CB-CB 4.21Å; T146-E150 PolarHBondContact O-N 3.1Å; E150-Q152 VanDerWaalsContact C-N 3.32Å; E150-Q152 PolarHBondContact O-N 3.24Å; E150-V153 PolarHBondContact O-N 2.7Å; E150-R154 WeakPolarHBondContact O-CB 3.38Å; E150-R154 PolarHBondContact O-N 3.34Å
151A92.4Very high91Very high62 Ų62107.3 Ų107.351%0.51252%0.521SS..Hα-helixtrans-63.1-38.2175.900000112.1E147 E148 K155E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.41Å; E147-A151 PolarHBondContact O-N 3.13Å; E148-A151 PolarHBondContact O-N 3.2Å; A151-K155 WeakPolarHBondContact O-CB 3.28Å; A151-K155 PolarHBondContact O-N 3.08Å
152Q94Very high90.2Very high112 Ų112110.4 Ų110.452%0.52353%0.533SS..Hα-helixtrans-64.7-49.9174.7-177.7175.8-13.700111.5E148 E149 E150 R154 K155 E156E148-Q152 WeakPolarHBondContact O-CB 3.35Å; E148-Q152 PolarHBondContact O-N 3.44Å; E149-Q152 PolarHBondContact O-N 2.88Å; E150-Q152 VanDerWaalsContact C-N 3.32Å; E150-Q152 PolarHBondContact O-N 3.24Å; Q152-R154 VanDerWaalsContact C-N 3.3Å; Q152-R154 PolarHBondContact O-N 2.92Å; Q152-K155 WeakPolarHBondContact O-CB 3.45Å; Q152-K155 PolarHBondContact O-N 3.1Å; Q152-K155 VanDerWaalsContact O-N 3.12Å; Q152-E156 HydrophobicContact CG-CG 4.47Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E156 PolarHBondContact NE2-OE1 3.24Å; Q152-E156 WeakPolarHBondContact O-CG 3.46Å; Q152-E156 PolarHBondContact O-N 3.48Å
153V92.3Very high88.5Confident59 Ų59113.6 Ų113.636%0.35855%0.547SS..Hα-helixtrans-61-39.8178.5170.60000111.2F145 E149 E150 E156 N157F145-V153 HydrophobicContact CD1-CG2 4.32Å; F145-V153 HydrophobicContact CE1-CG2 3.79Å; E149-V153 WeakPolarHBondContact O-CG2 3.45Å; E149-V153 PolarHBondContact O-N 2.8Å; E150-V153 PolarHBondContact O-N 2.7Å; V153-E156 PolarHBondContact O-N 2.97Å; V153-N157 WeakPolarHBondContact O-CB 3.38Å; V153-N157 PolarHBondContact O-N 3.46Å; V153-N157 PolarHBondContact O-ND2 3.22Å
154R89.6Confident88.4Confident121 Ų121116.1 Ų116.146%0.45756%0.557SS.*Hα-helixtrans-60.3-48.3174.1-172.781.571.9131.70.8110.8E150 Q152 E156 N157 Q158 E161E150-R154 WeakPolarHBondContact O-CB 3.38Å; E150-R154 PolarHBondContact O-N 3.34Å; Q152-R154 VanDerWaalsContact C-N 3.3Å; Q152-R154 PolarHBondContact O-N 2.92Å; R154-E156 VanDerWaalsContact C-N 3.35Å; R154-E156 PolarHBondContact O-N 3.2Å; R154-N157 CarbonylContact O-C 3.53Å; R154-N157 PolarHBondContact O-N 2.82Å; R154-Q158 WeakPolarHBondContact O-CG 2.94Å; R154-Q158 PolarHBondContact O-N 2.8Å; R154-Q158 VanDerWaalsContact O-N 3.13Å; R154-E161 IonicContact NH1-OE1 3.61Å
155K92.5Very high88.2Confident156 Ų156115.7 Ų115.768%0.67855%0.552SS**Hα-helixtrans-61.3-41.8179.2-174.1-179177.8-175.60112A151 Q152 N157A151-K155 WeakPolarHBondContact O-CB 3.28Å; A151-K155 PolarHBondContact O-N 3.08Å; Q152-K155 WeakPolarHBondContact O-CB 3.45Å; Q152-K155 PolarHBondContact O-N 3.1Å; Q152-K155 VanDerWaalsContact O-N 3.12Å; K155-N157 VanDerWaalsContact C-N 3.32Å; K155-N157 PolarHBondContact O-N 3.23Å
156E93.6Very high88Confident114 Ų114117.5 Ų117.553%0.53356%0.562SS.*Hα-helixtrans-68.2-30.4178.6-72.9175.9-172.700112.9Q152 V153 R154 W159Q152-E156 HydrophobicContact CG-CG 4.47Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E156 PolarHBondContact NE2-OE1 3.24Å; Q152-E156 WeakPolarHBondContact O-CG 3.46Å; Q152-E156 PolarHBondContact O-N 3.48Å; V153-E156 PolarHBondContact O-N 2.97Å; R154-E156 VanDerWaalsContact C-N 3.35Å; R154-E156 PolarHBondContact O-N 3.2Å; E156-W159 VanDerWaalsContact O-CD1 3.26Å
157N90.3Very high87.7Confident70 Ų70119.9 Ų119.937%0.37457%0.568SS.*THydrogen-bonded Turntrans-103.314.9-177.7-66.5-73.6000114.3V153 R154 K155 W159 C160V153-N157 WeakPolarHBondContact O-CB 3.38Å; V153-N157 PolarHBondContact O-N 3.46Å; V153-N157 PolarHBondContact O-ND2 3.22Å; R154-N157 CarbonylContact O-C 3.53Å; R154-N157 PolarHBondContact O-N 2.82Å; K155-N157 VanDerWaalsContact C-N 3.32Å; K155-N157 PolarHBondContact O-N 3.23Å; N157-W159 PolarHBondContact O-N 2.89Å; N157-W159 VanDerWaalsContact O-N 3.16Å; N157-C160 WeakPolarHBondContact O-CB 3.13Å; N157-C160 PolarHBondContact O-N 2.67Å
158Q88.3Confident87.3Confident101 Ų101116.1 Ų116.147%0.47255%0.55SS.*G310 helixtrans-55.4-32.8176.6-78.4-178.2-15.400112.8R154 C160 E161 E162R154-Q158 WeakPolarHBondContact O-CG 2.94Å; R154-Q158 PolarHBondContact O-N 2.8Å; R154-Q158 VanDerWaalsContact O-N 3.13Å; Q158-C160 PolarHBondContact O-N 2.81Å; Q158-C160 VanDerWaalsContact O-N 3.07Å; Q158-E161 PolarHBondContact O-N 2.98Å; Q158-E162 PolarHBondContact O-N 3.48Å
159W88.6Confident86.8Confident149 Ų149112.7 Ų112.756%0.56454%0.535SS*.G310 helixtrans-59-20.7177.869.1-91.2000113.9E156 N157 E161E156-W159 VanDerWaalsContact O-CD1 3.26Å; N157-W159 PolarHBondContact O-N 2.89Å; N157-W159 VanDerWaalsContact O-N 3.16Å; W159-E161 VanDerWaalsContact C-N 3.33Å
160C82.6Confident86.3Confident68 Ų68114.2 Ų114.246%0.45954%0.543SS..G310 helixtrans-72.4-26.4174-70.30000112.6N157 Q158N157-C160 WeakPolarHBondContact O-CB 3.13Å; N157-C160 PolarHBondContact O-N 2.67Å; Q158-C160 PolarHBondContact O-N 2.81Å; Q158-C160 VanDerWaalsContact O-N 3.07Å
161E78.1Confident85.8Confident132 Ų132118.5 Ų118.562%0.61756%0.563SS**THydrogen-bonded Turntrans-89.2-14.6179.2-60.6-178.4174.900112.5R154 Q158 W159 K163R154-E161 IonicContact NH1-OE1 3.61Å; Q158-E161 PolarHBondContact O-N 2.98Å; W159-E161 VanDerWaalsContact C-N 3.33Å; E161-K163 PolarHBondContact O-N 2.7Å
162E77.3Confident85.3Confident157 Ų157123.2 Ų123.273%0.73457%0.567SS**  trans-79.112.7-178.2-66.7-179.217100114.4Q158Q158-E162 PolarHBondContact O-N 3.48Å
163K56.4Low84.5Confident239 Ų239124.2 Ų124.2100%1.03957%0.571SS**  trans-103.30179-72.1-170.5177.6179.50112.6E161E161-K163 PolarHBondContact O-N 2.7Å

Retrieved 163 of 163 residues in 184.4 ms (Link to these results)

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