A0A096NEY7_PAPAN Loading...

Protein MIX23

AlphaFold DB (A0A2K6DLQ0), UniProt , Accession A0A096NEY7, Species PAPAN (Papio anubis, Olive baboon), Gene MIX23, Length 144 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
1M37.9Very low60Low210 Ų21092.5 Ų92.5100%1.03462%0.621SS**  0120.60-67.1-57.4-145.100107.4
2A36.5Very low62.4Low105 Ų10594.3 Ų94.387%0.86861%0.614SS**  trans-72.6134-17900000110.3
3A40.6Very low64.6Low87 Ų8789.8 Ų89.872%0.71958%0.579SS**  trans-63.9140.1173.900000110S5A3-S5 PolarHBondContact O-N 3.14Å
4P46Very low66.6Low80 Ų8087.3 Ų87.352%0.51957%0.57SS.*  trans-66.9111.5176.628.2-32.1000108.9G6 L19 V22P4-G6 PolarHBondContact O-N 2.93Å; P4-G6 VanDerWaalsContact O-N 3.15Å; P4-L19 HydrophobicContact CG-CD1 4.14Å; P4-V22 HydrophobicContact CG-CG1 4.5Å
5S45.3Very low68.2Low132 Ų13287.6 Ų87.692%0.92356%0.56SS**  trans-84.243.7174.659.50000111.7A3A3-S5 PolarHBondContact O-N 3.14Å
6G53.9Low69.8Low57 Ų5782.1 Ų82.159%0.58853%0.525SS*.SBendtrans-103.4135.7168.800000108.5P4P4-G6 PolarHBondContact O-N 2.93Å; P4-G6 VanDerWaalsContact O-N 3.15Å
7G62.8Low71.2Confident79 Ų7982.6 Ų82.681%0.81452%0.519SS*.  trans-51.8145.1175.200000111.3N9G7-N9 PolarHBondContact O-N 3.26Å; G7-N9 VanDerWaalsContact O-N 3.1Å
8V77.5Confident72.4Confident50 Ų5083.5 Ų83.530%0.30352%0.516SS..  trans-65.1111.8178.4-179.20000108.6L19 V70 C74V8-L19 HydrophobicContact CB-CD2 4.47Å; V8-L19 HydrophobicContact CG1-CD2 4.02Å; V8-L19 HydrophobicContact CG2-CD2 4.28Å; V8-V70 HydrophobicContact CG1-CG1 3.82Å; V8-V70 HydrophobicContact CG2-CG1 4.26Å; V8-V70 HydrophobicContact CG2-CG2 3.91Å; V8-C74 VanDerWaalsContact CG1-SG 3.5Å
9N84.3Confident73.5Confident54 Ų5481.2 Ų81.229%0.28950%0.5SS..  trans-87.2114.3172.1-166.9-6.8000110G7 E11 E15G7-N9 PolarHBondContact O-N 3.26Å; G7-N9 VanDerWaalsContact O-N 3.1Å; N9-E11 WeakPolarHBondContact OD1-CB 3.45Å; N9-E11 WeakPolarHBondContact OD1-CG 3.44Å; N9-E11 PolarHBondContact OD1-N 3.24Å; N9-E15 WeakPolarHBondContact CB-OE2 3.31Å; N9-E15 PolarHBondContact ND2-OE2 3.33Å
10C90.1Very high74.6Confident5 Ų577.1 Ų77.13%0.03448%0.475CS..  trans-103.61.4177.9-53.40000112.4C74 M112C10-C74 HydrophobicContact CB-CB 3.64Å; C10-C74 WeakPolarHBondContact CB-SG 3.48Å; C10-C74 WeakPolarHBondContact SG-CA 3.49Å; C10-C74 WeakPolarHBondContact SG-CB 3.33Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.41Å; C10-M112 VanDerWaalsContact O-CE 3.3Å; C10-M112 WeakPolarHBondContact O-CE 3.48Å
11E85.2Confident75.6Confident158 Ų15879 Ų7974%0.73848%0.476SS*.SBendtrans-71.1-46.2-175.9-65-175-18000111.3N9 K108N9-E11 WeakPolarHBondContact OD1-CB 3.45Å; N9-E11 WeakPolarHBondContact OD1-CG 3.44Å; N9-E11 PolarHBondContact OD1-N 3.24Å; E11-K108 PolarHBondContact O-NZ 2.6Å
12E88.6Confident78.3Confident115 Ų11572.7 Ų72.754%0.53745%0.449SS..SBendtrans-106124.8179.5-166.9164.6104.500111.5A14 E15 F16E12-A14 VanDerWaalsContact C-N 3.27Å; E12-A14 HydrophobicContact CG-CB 4.31Å; E12-A14 PolarHBondContact O-N 3.09Å; E12-E15 HydrophobicContact CB-CG 4.29Å; E12-E15 PolarHBondContact O-N 2.59Å; E12-F16 PolarHBondContact O-N 3.12Å
13F91.1Very high81Confident35 Ų3569.6 Ų69.615%0.15442%0.417CS..Hα-helixtrans-62.8-33.4-177.5-178.1-107.2000112.9F16 Q17 K108 W111 M112F13-F16 AromaticContact CD2-CD1 3.95Å; F13-F16 HydrophobicContact CD2-CD1 3.95Å; F13-F16 AromaticContact CE2-CD1 3.87Å; F13-F16 HydrophobicContact CE2-CD1 3.87Å; F13-F16 HydrophobicContact CE2-CE1 4.18Å; F13-F16 PolarHBondContact O-N 2.99Å; F13-Q17 WeakPolarHBondContact O-CB 3.41Å; F13-Q17 PolarHBondContact O-N 3.49Å; F13-K108 HydrophobicContact CB-CG 4.29Å; F13-W111 HydrophobicContact CB-CE3 4.42Å; F13-W111 HydrophobicContact CD1-CD2 4.43Å; F13-W111 AromaticContact CD1-CE3 3.67Å; F13-W111 HydrophobicContact CD1-CE3 3.67Å; F13-W111 HydrophobicContact CD1-CZ3 4.26Å; F13-W111 HydrophobicContact CD2-CB 4Å; F13-W111 HydrophobicContact CD2-CE3 4.5Å; F13-W111 HydrophobicContact CE1-CB 4.06Å; F13-W111 HydrophobicContact CE1-CD2 4.4Å; F13-W111 HydrophobicContact CE1-CE3 4.08Å; F13-W111 HydrophobicContact CE1-CG 4.45Å; F13-W111 HydrophobicContact CE2-CB 3.5Å; F13-W111 VanDerWaalsContact CE2-CB 3.5Å; F13-W111 HydrophobicContact CG-CB 4.49Å; F13-W111 AromaticContact CG-CE3 3.93Å; F13-W111 HydrophobicContact CG-CE3 3.93Å; F13-W111 HydrophobicContact CZ-CB 3.55Å; F13-W111 HydrophobicContact CZ-CG 4.37Å; F13-M112 HydrophobicContact CD2-CE 4.48Å; F13-M112 HydrophobicContact CD2-CG 3.96Å; F13-M112 HydrophobicContact CE2-CG 4.16Å
14A92.2Very high83.6Confident55 Ų5566.7 Ų66.746%0.45539%0.388SS..Hα-helixtrans-64.2-43.4179.600000112E12 Q17 E18E12-A14 VanDerWaalsContact C-N 3.27Å; E12-A14 HydrophobicContact CG-CB 4.31Å; E12-A14 PolarHBondContact O-N 3.09Å; A14-Q17 PolarHBondContact O-N 3.16Å; A14-E18 PolarHBondContact O-N 3.32Å
15E90.9Very high85.9Confident92 Ų9265 Ų6543%0.4338%0.376SS..Hα-helixtrans-64.7-42.7176.7-66.4-172.3-162.500111.9N9 E12 Q17 E18 L19N9-E15 WeakPolarHBondContact CB-OE2 3.31Å; N9-E15 PolarHBondContact ND2-OE2 3.33Å; E12-E15 HydrophobicContact CB-CG 4.29Å; E12-E15 PolarHBondContact O-N 2.59Å; E15-Q17 VanDerWaalsContact C-N 3.31Å; E15-Q17 PolarHBondContact O-N 3.18Å; E15-E18 PolarHBondContact O-N 2.97Å; E15-L19 WeakPolarHBondContact O-CB 3.42Å; E15-L19 PolarHBondContact O-N 2.86Å
16F93.2Very high88.2Confident0 Ų060.6 Ų60.60%034%0.342CS..Hα-helixtrans-57.7-44.2173.5169.7-112.9000111.8E12 F13 L19 L20 V70 I71 C74 M112 E115E12-F16 PolarHBondContact O-N 3.12Å; F13-F16 AromaticContact CD2-CD1 3.95Å; F13-F16 HydrophobicContact CD2-CD1 3.95Å; F13-F16 AromaticContact CE2-CD1 3.87Å; F13-F16 HydrophobicContact CE2-CD1 3.87Å; F13-F16 HydrophobicContact CE2-CE1 4.18Å; F13-F16 PolarHBondContact O-N 2.99Å; F16-L19 WeakPolarHBondContact O-CB 3.43Å; F16-L19 PolarHBondContact O-N 3.42Å; F16-L20 HydrophobicContact CD1-CD1 4.39Å; F16-L20 HydrophobicContact CD2-CG 4.41Å; F16-L20 HydrophobicContact CE1-CD1 3.77Å; F16-L20 HydrophobicContact CE2-CD1 3.93Å; F16-L20 HydrophobicContact CE2-CD2 4.21Å; F16-L20 HydrophobicContact CE2-CG 4.04Å; F16-L20 HydrophobicContact CZ-CD1 3.52Å; F16-L20 HydrophobicContact CZ-CG 4.17Å; F16-L20 WeakPolarHBondContact O-CG 3.46Å; F16-L20 PolarHBondContact O-N 3.27Å; F16-V70 HydrophobicContact CE2-CG1 4.24Å; F16-I71 HydrophobicContact CE2-CG1 4.39Å; F16-I71 HydrophobicContact CZ-CB 4.43Å; F16-I71 HydrophobicContact CZ-CG1 4.09Å; F16-I71 HydrophobicContact CZ-CG2 4.42Å; F16-C74 HydrophobicContact CD2-CB 4.13Å; F16-C74 VanDerWaalsContact CD2-SG 3.58Å; F16-C74 HydrophobicContact CE2-CB 3.92Å; F16-C74 HydrophobicContact CZ-CB 4.43Å; F16-M112 HydrophobicContact CD1-CE 4.47Å; F16-M112 HydrophobicContact CD1-CG 4.06Å; F16-M112 HydrophobicContact CE1-CB 4.25Å; F16-M112 HydrophobicContact CE1-CG 3.84Å; F16-E115 HydrophobicContact CE1-CB 4.29Å; F16-E115 HydrophobicContact CE1-CG 3.73Å; F16-E115 HydrophobicContact CZ-CB 4.4Å; F16-E115 HydrophobicContact CZ-CG 4.29Å
17Q93.8Very high90.1Very high91 Ų9158.3 Ų58.343%0.42532%0.316SS..Hα-helixtrans-66.5-42179.6-167.5-175-4100112.4F13 A14 E15 L19 L20 K21F13-Q17 WeakPolarHBondContact O-CB 3.41Å; F13-Q17 PolarHBondContact O-N 3.49Å; A14-Q17 PolarHBondContact O-N 3.16Å; E15-Q17 VanDerWaalsContact C-N 3.31Å; E15-Q17 PolarHBondContact O-N 3.18Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L20 PolarHBondContact O-N 2.97Å; Q17-K21 WeakPolarHBondContact O-CB 3.44Å; Q17-K21 PolarHBondContact O-N 2.95Å
18E93.5Very high91.5Very high98 Ų9860.1 Ų60.146%0.45831%0.307SS..Hα-helixtrans-66.1-37.1175.8-75.5-60.6135.800111.9A14 E15 K21 V22A14-E18 PolarHBondContact O-N 3.32Å; E15-E18 PolarHBondContact O-N 2.97Å; E18-K21 WeakPolarHBondContact O-CB 3.47Å; E18-K21 PolarHBondContact O-N 3.07Å; E18-K21 IonicContact OE1-NZ 3.32Å; E18-K21 PolarHBondContact OE1-NZ 3.37Å; E18-K21 IonicContact OE2-NZ 3.62Å; E18-K21 PolarHBondContact OE2-NZ 3.27Å; E18-V22 WeakPolarHBondContact O-CG2 3.39Å; E18-V22 PolarHBondContact O-N 2.88Å
19L93.7Very high92.2Very high39 Ų3963.6 Ų63.620%0.20432%0.315CS..Hα-helixtrans-59.1-49.8171.9175.963.1000111.3P4 V8 E15 F16 Q17 K21 V22 M23 V70P4-L19 HydrophobicContact CG-CD1 4.14Å; V8-L19 HydrophobicContact CB-CD2 4.47Å; V8-L19 HydrophobicContact CG1-CD2 4.02Å; V8-L19 HydrophobicContact CG2-CD2 4.28Å; E15-L19 WeakPolarHBondContact O-CB 3.42Å; E15-L19 PolarHBondContact O-N 2.86Å; F16-L19 WeakPolarHBondContact O-CB 3.43Å; F16-L19 PolarHBondContact O-N 3.42Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.25Å; L19-V22 PolarHBondContact O-N 3.13Å; L19-M23 HydrophobicContact CD1-CG 4.27Å; L19-M23 HydrophobicContact CD1-SD 4.22Å; L19-M23 HydrophobicContact CG-SD 4.06Å; L19-M23 WeakPolarHBondContact O-CG 3.34Å; L19-M23 PolarHBondContact O-N 3.29Å; L19-V70 HydrophobicContact CD2-CG1 4Å
20L95.3Very high92.5Very high0 Ų061.2 Ų61.20%030%0.302CS..Hα-helixtrans-60.8-39.7179-69.4-175.7000112.2F16 Q17 V22 M23 R24 V70 I71 E115F16-L20 HydrophobicContact CD1-CD1 4.39Å; F16-L20 HydrophobicContact CD2-CG 4.41Å; F16-L20 HydrophobicContact CE1-CD1 3.77Å; F16-L20 HydrophobicContact CE2-CD1 3.93Å; F16-L20 HydrophobicContact CE2-CD2 4.21Å; F16-L20 HydrophobicContact CE2-CG 4.04Å; F16-L20 HydrophobicContact CZ-CD1 3.52Å; F16-L20 HydrophobicContact CZ-CG 4.17Å; F16-L20 WeakPolarHBondContact O-CG 3.46Å; F16-L20 PolarHBondContact O-N 3.27Å; Q17-L20 PolarHBondContact O-N 2.97Å; L20-V22 PolarHBondContact O-N 3.29Å; L20-M23 PolarHBondContact O-N 3.16Å; L20-R24 WeakPolarHBondContact O-CB 3.41Å; L20-R24 VanDerWaalsContact O-CG 3.24Å; L20-R24 WeakPolarHBondContact O-CG 3.48Å; L20-R24 PolarHBondContact O-N 3.37Å; L20-V70 HydrophobicContact CD2-CG1 4.3Å; L20-I71 HydrophobicContact CD1-CD1 4.32Å; L20-I71 HydrophobicContact CD1-CG1 4.03Å; L20-I71 HydrophobicContact CD2-CD1 4.13Å; L20-I71 HydrophobicContact CD2-CG1 3.7Å; L20-E115 HydrophobicContact CD1-CB 3.93Å; L20-E115 HydrophobicContact CD1-CG 3.7Å; L20-E115 WeakPolarHBondContact CD1-OE2 3.44Å
21K94.6Very high92.4Very high117 Ų11763.9 Ų63.951%0.50932%0.318SS..Hα-helixtrans-60-45175.2-178.2-176.9172.6-166.70111.9Q17 E18 L19 M23 R24Q17-K21 WeakPolarHBondContact O-CB 3.44Å; Q17-K21 PolarHBondContact O-N 2.95Å; E18-K21 WeakPolarHBondContact O-CB 3.47Å; E18-K21 PolarHBondContact O-N 3.07Å; E18-K21 IonicContact OE1-NZ 3.32Å; E18-K21 PolarHBondContact OE1-NZ 3.37Å; E18-K21 IonicContact OE2-NZ 3.62Å; E18-K21 PolarHBondContact OE2-NZ 3.27Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.25Å; K21-M23 VanDerWaalsContact C-N 3.34Å; K21-M23 PolarHBondContact O-N 2.99Å; K21-R24 PolarHBondContact O-N 3.03Å
22V94.5Very high92.5Very high78 Ų7862.4 Ų62.447%0.47331%0.311SS..Hα-helixtrans-61.3-45174.5173.40000110.7P4 E18 L19 L20 R24 T25P4-V22 HydrophobicContact CG-CG1 4.5Å; E18-V22 WeakPolarHBondContact O-CG2 3.39Å; E18-V22 PolarHBondContact O-N 2.88Å; L19-V22 PolarHBondContact O-N 3.13Å; L20-V22 PolarHBondContact O-N 3.29Å; V22-R24 VanDerWaalsContact C-N 3.25Å; V22-R24 PolarHBondContact O-N 3.16Å; V22-T25 VanDerWaalsContact O-CB 3.3Å; V22-T25 WeakPolarHBondContact O-CB 3.14Å; V22-T25 PolarHBondContact O-N 3.04Å; V22-T25 PolarHBondContact O-OG1 3.06Å
23M93.6Very high92.2Very high39 Ų3960.9 Ų60.919%0.19230%0.304CS..Hα-helixtrans-65.4-24.9179.2-64.4178.581.800113.6L19 L20 K21 T25 S66 R67 V70L19-M23 HydrophobicContact CD1-CG 4.27Å; L19-M23 HydrophobicContact CD1-SD 4.22Å; L19-M23 HydrophobicContact CG-SD 4.06Å; L19-M23 WeakPolarHBondContact O-CG 3.34Å; L19-M23 PolarHBondContact O-N 3.29Å; L20-M23 PolarHBondContact O-N 3.16Å; K21-M23 VanDerWaalsContact C-N 3.34Å; K21-M23 PolarHBondContact O-N 2.99Å; M23-T25 VanDerWaalsContact C-N 3.32Å; M23-S66 WeakPolarHBondContact CE-OG 3.3Å; M23-R67 HydrophobicContact CB-CG 3.54Å; M23-R67 HydrophobicContact CE-CB 4.24Å; M23-R67 HydrophobicContact CE-CG 3.49Å; M23-R67 VanDerWaalsContact CE-CG 3.49Å; M23-R67 HydrophobicContact CG-CG 4.28Å; M23-R67 PolarHBondContact O-NH1 3.49Å; M23-R67 HydrophobicContact SD-CG 3.87Å; M23-V70 HydrophobicContact CE-CG2 4.01Å; M23-V70 HydrophobicContact SD-CG1 4.47Å; M23-V70 HydrophobicContact SD-CG2 4.21Å
24R95.6Very high91.9Very high27 Ų2759.2 Ų59.210%0.10230%0.297CS..THydrogen-bonded Turntrans-82.8-2.9177.3-72.8170.2-176.7147.90.2114.1L20 K21 V22 I26 D27 D28 E115 E119 V122L20-R24 WeakPolarHBondContact O-CB 3.41Å; L20-R24 VanDerWaalsContact O-CG 3.24Å; L20-R24 WeakPolarHBondContact O-CG 3.48Å; L20-R24 PolarHBondContact O-N 3.37Å; K21-R24 PolarHBondContact O-N 3.03Å; V22-R24 VanDerWaalsContact C-N 3.25Å; V22-R24 PolarHBondContact O-N 3.16Å; R24-I26 PolarHBondContact O-N 3.15Å; R24-I26 VanDerWaalsContact O-N 3.09Å; R24-D27 WeakPolarHBondContact O-CB 2.95Å; R24-D27 PolarHBondContact O-N 3.48Å; R24-D28 PolarHBondContact O-N 3.16Å; R24-E115 IonicContact CZ-OE2 2.74Å; R24-E115 VanDerWaalsContact CZ-OE2 3.32Å; R24-E115 IonicContact NH1-OE2 2.71Å; R24-E115 PolarHBondContact NH1-OE2 3.3Å; R24-E115 IonicContact NH2-OE2 3.1Å; R24-E115 PolarHBondContact NH2-OE2 3.31Å; R24-E119 IonicContact NE-OE2 3.98Å; R24-E119 IonicContact NH2-OE2 2.76Å; R24-V122 HydrophobicContact CG-CG1 4.47Å
25T94.5Very high91.4Very high45 Ų4560.6 Ų60.628%0.27630%0.296SS..Hα-helixtrans-54.6-33.7179.3-57.90000113.1V22 M23 R29V22-T25 VanDerWaalsContact O-CB 3.3Å; V22-T25 WeakPolarHBondContact O-CB 3.14Å; V22-T25 PolarHBondContact O-N 3.04Å; V22-T25 PolarHBondContact O-OG1 3.06Å; M23-T25 VanDerWaalsContact C-N 3.32Å; T25-R29 HydrophobicContact CG2-CG 4.41Å; T25-R29 VanDerWaalsContact CG2-CZ 3.43Å; T25-R29 WeakPolarHBondContact O-CB 3.3Å; T25-R29 VanDerWaalsContact O-CG 3.29Å; T25-R29 WeakPolarHBondContact O-CG 3.1Å; T25-R29 PolarHBondContact O-N 2.72Å; T25-R29 VanDerWaalsContact O-N 3.15Å
26I92.6Very high90.7Very high38 Ų3860 Ų6020%0.19530%0.299CS..Hα-helixtrans-65.9-40.5177.2-171.4172.5000111.8R24 R29 I30 L60 A63R24-I26 PolarHBondContact O-N 3.15Å; R24-I26 VanDerWaalsContact O-N 3.09Å; I26-R29 PolarHBondContact O-N 2.97Å; I26-I30 PolarHBondContact O-N 2.98Å; I26-I30 VanDerWaalsContact O-N 3.07Å; I26-L60 HydrophobicContact CD1-CD2 4.12Å; I26-L60 HydrophobicContact CD1-CG 4.31Å; I26-L60 HydrophobicContact CG1-CD2 4.02Å; I26-L60 HydrophobicContact CG2-CD2 4.44Å; I26-A63 HydrophobicContact CD1-CB 4.48Å; I26-A63 HydrophobicContact CG2-CB 3.77Å
27D94.7Very high89.5Confident10 Ų1061.4 Ų61.45%0.05331%0.307CS..Hα-helixtrans-70.6-42.9177.7-57-89.1000111.2R24 R29 I30 H64 R67 V122 S126R24-D27 WeakPolarHBondContact O-CB 2.95Å; R24-D27 PolarHBondContact O-N 3.48Å; D27-R29 PolarHBondContact O-N 2.92Å; D27-I30 WeakPolarHBondContact O-CB 3.42Å; D27-I30 WeakPolarHBondContact O-CG2 3.06Å; D27-I30 PolarHBondContact O-N 3.38Å; D27-H64 IonicContact OD1-CD2 3.7Å; D27-H64 IonicContact OD1-CE1 3.85Å; D27-H64 IonicContact OD1-NE2 2.83Å; D27-H64 PolarHBondContact OD1-NE2 3.1Å; D27-R67 IonicContact OD1-NH2 3.99Å; D27-R67 PolarHBondContact OD1-NH2 3.37Å; D27-R67 IonicContact OD2-CZ 2.91Å; D27-R67 IonicContact OD2-NH1 3.46Å; D27-R67 PolarHBondContact OD2-NH1 3.18Å; D27-R67 IonicContact OD2-NH2 3.28Å; D27-R67 PolarHBondContact OD2-NH2 2.99Å; D27-V122 HydrophobicContact CB-CG1 3.67Å; D27-S126 WeakPolarHBondContact CB-OG 3.23Å; D27-S126 VanDerWaalsContact CG-OG 3.28Å; D27-S126 VanDerWaalsContact OD1-CB 3.29Å; D27-S126 WeakPolarHBondContact OD1-CB 2.98Å; D27-S126 PolarHBondContact OD1-OG 3.4Å
28D92.4Very high88.2Confident117 Ų11757.9 Ų57.963%0.62629%0.292SS*.Hα-helixtrans-61.7-32.5178-70-28.8000112.2R24R24-D28 PolarHBondContact O-N 3.16Å
29R92.1Very high86.7Confident123 Ų12354.6 Ų54.646%0.46428%0.28SS..Hα-helixtrans-94.9-6.8-177.6-66.7179.9-176.6174.62.7113.9T25 I26 D27 V31 H32 E33T25-R29 HydrophobicContact CG2-CG 4.41Å; T25-R29 VanDerWaalsContact CG2-CZ 3.43Å; T25-R29 WeakPolarHBondContact O-CB 3.3Å; T25-R29 VanDerWaalsContact O-CG 3.29Å; T25-R29 WeakPolarHBondContact O-CG 3.1Å; T25-R29 PolarHBondContact O-N 2.72Å; T25-R29 VanDerWaalsContact O-N 3.15Å; I26-R29 PolarHBondContact O-N 2.97Å; D27-R29 PolarHBondContact O-N 2.92Å; R29-V31 VanDerWaalsContact C-N 3.26Å; R29-V31 PolarHBondContact O-N 2.74Å; R29-V31 VanDerWaalsContact O-N 3.13Å; R29-H32 WeakPolarHBondContact O-CA 3.26Å; R29-H32 WeakPolarHBondContact O-CB 3.38Å; R29-H32 PolarHBondContact O-N 2.93Å; R29-E33 WeakPolarHBondContact O-CB 3.42Å; R29-E33 PolarHBondContact O-N 3.15Å
30I91.3Very high85.1Confident4 Ų457.6 Ų57.62%0.02130%0.3CS..Hα-helixtrans-54.2-40.5-172.8-162.2-178000113.1I26 D27 E33 L34 L56 L60 S126 V129 F130I26-I30 PolarHBondContact O-N 2.98Å; I26-I30 VanDerWaalsContact O-N 3.07Å; D27-I30 WeakPolarHBondContact O-CB 3.42Å; D27-I30 WeakPolarHBondContact O-CG2 3.06Å; D27-I30 PolarHBondContact O-N 3.38Å; I30-E33 PolarHBondContact O-N 3.09Å; I30-L34 HydrophobicContact CD1-CD1 4.39Å; I30-L34 HydrophobicContact CG1-CD1 3.9Å; I30-L34 HydrophobicContact CG1-CG 4.49Å; I30-L34 WeakPolarHBondContact O-CB 3.19Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 3.47Å; I30-L56 HydrophobicContact CG1-CD2 4.25Å; I30-L60 HydrophobicContact CD1-CD1 3.54Å; I30-L60 HydrophobicContact CD1-CD2 4.12Å; I30-L60 HydrophobicContact CD1-CG 4.45Å; I30-L60 HydrophobicContact CG1-CD1 4.35Å; I30-S126 VanDerWaalsContact CD1-O 3.24Å; I30-S126 WeakPolarHBondContact CD1-O 3.42Å; I30-V129 HydrophobicContact CG2-CB 4.43Å; I30-V129 HydrophobicContact CG2-CG1 4.29Å; I30-F130 HydrophobicContact CD1-CB 4.2Å
31V87.6Confident83.4Confident61 Ų6162.2 Ų62.237%0.3734%0.338SS..Hα-helixtrans-65.1-45.3178.6173.90000110.8R29 N35 V129R29-V31 VanDerWaalsContact C-N 3.26Å; R29-V31 PolarHBondContact O-N 2.74Å; R29-V31 VanDerWaalsContact O-N 3.13Å; V31-N35 VanDerWaalsContact O-CB 3.28Å; V31-N35 WeakPolarHBondContact O-CB 3.23Å; V31-N35 PolarHBondContact O-N 3.18Å; V31-N35 PolarHBondContact O-ND2 3.39Å; V31-N35 VanDerWaalsContact O-ND2 3.12Å; V31-V129 HydrophobicContact CG2-CG1 3.87Å; V31-V129 HydrophobicContact CG2-CG2 4.22Å
32H86.3Confident81.5Confident126 Ų12661.7 Ų61.758%0.58335%0.349SS*.Hα-helixtrans-65.6-45178.2174.3-82.4000111R29 N35 T36R29-H32 WeakPolarHBondContact O-CA 3.26Å; R29-H32 WeakPolarHBondContact O-CB 3.38Å; R29-H32 PolarHBondContact O-N 2.93Å; H32-N35 PolarHBondContact O-N 3.06Å; H32-T36 WeakPolarHBondContact O-CG2 3.38Å; H32-T36 PolarHBondContact O-N 2.97Å; H32-T36 PolarHBondContact O-OG1 2.89Å
33E83.3Confident79.7Confident83 Ų8364 Ų6439%0.38835%0.352SS..Hα-helixtrans-58.6-50177.9-163.8123.9-167.700110.7R29 I30 N35 T36 T37R29-E33 WeakPolarHBondContact O-CB 3.42Å; R29-E33 PolarHBondContact O-N 3.15Å; I30-E33 PolarHBondContact O-N 3.09Å; E33-N35 PolarHBondContact O-N 2.04Å; E33-T36 PolarHBondContact O-N 3.38Å; E33-T36 PolarHBondContact O-OG1 3.24Å; E33-T37 VanDerWaalsContact O-CB 3.31Å; E33-T37 WeakPolarHBondContact O-CB 3.33Å; E33-T37 WeakPolarHBondContact O-CG2 3.5Å; E33-T37 PolarHBondContact O-N 2.93Å; E33-T37 PolarHBondContact O-OG1 3.45Å
34L84.8Confident78Confident1 Ų165.5 Ų65.51%0.00537%0.372CS..Hα-helixtrans-65.3-37.5177.3-74.3166000112.9I30 T36 V38 L56 V129 R133 C134I30-L34 HydrophobicContact CD1-CD1 4.39Å; I30-L34 HydrophobicContact CG1-CD1 3.9Å; I30-L34 HydrophobicContact CG1-CG 4.49Å; I30-L34 WeakPolarHBondContact O-CB 3.19Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 3.47Å; L34-T36 VanDerWaalsContact C-N 3.28Å; L34-T36 PolarHBondContact O-N 3.07Å; L34-V38 HydrophobicContact CD2-CG2 3.76Å; L34-V38 WeakPolarHBondContact O-CA 3.35Å; L34-V38 VanDerWaalsContact O-CB 3.27Å; L34-V38 WeakPolarHBondContact O-CB 3.11Å; L34-V38 PolarHBondContact O-N 3.48Å; L34-L56 HydrophobicContact CD1-CD2 4.2Å; L34-L56 HydrophobicContact CD2-CD2 3.51Å; L34-L56 HydrophobicContact CG-CD2 3.69Å; L34-V129 HydrophobicContact CD1-CG1 3.72Å; L34-R133 HydrophobicContact CB-CB 4.46Å; L34-R133 HydrophobicContact CB-CG 4.37Å; L34-R133 HydrophobicContact CD1-CB 4.11Å; L34-R133 HydrophobicContact CD1-CG 4.19Å; L34-R133 HydrophobicContact CD2-CB 4.11Å; L34-R133 HydrophobicContact CG-CB 4.48Å; L34-C134 VanDerWaalsContact CD2-SG 3.53Å
35N81.1Confident76.2Confident84 Ų8468.2 Ų68.245%0.44941%0.408SS..Hα-helixtrans-68.8-27.3177.6-75.6-27.1000113.1V31 H32 E33 R133V31-N35 VanDerWaalsContact O-CB 3.28Å; V31-N35 WeakPolarHBondContact O-CB 3.23Å; V31-N35 PolarHBondContact O-N 3.18Å; V31-N35 PolarHBondContact O-ND2 3.39Å; V31-N35 VanDerWaalsContact O-ND2 3.12Å; H32-N35 PolarHBondContact O-N 3.06Å; E33-N35 PolarHBondContact O-N 2.04Å; N35-R133 VanDerWaalsContact OD1-CZ 3.3Å; N35-R133 PolarHBondContact OD1-NH1 3Å; N35-R133 PolarHBondContact OD1-NH2 3.17Å
36T76.8Confident74.7Confident78 Ų7874.8 Ų74.848%0.47943%0.432SS..Hα-helixtrans-90.6-27.517950.70000112.8H32 E33 L34H32-T36 WeakPolarHBondContact O-CG2 3.38Å; H32-T36 PolarHBondContact O-N 2.97Å; H32-T36 PolarHBondContact O-OG1 2.89Å; E33-T36 PolarHBondContact O-N 3.38Å; E33-T36 PolarHBondContact O-OG1 3.24Å; L34-T36 VanDerWaalsContact C-N 3.28Å; L34-T36 PolarHBondContact O-N 3.07Å
37T67.8Low73.7Confident30 Ų3076.2 Ų76.218%0.18444%0.44CS..Hα-helixtrans-107.9-18.1-173.462.20000115E33 P39 I47 T52E33-T37 VanDerWaalsContact O-CB 3.31Å; E33-T37 WeakPolarHBondContact O-CB 3.33Å; E33-T37 WeakPolarHBondContact O-CG2 3.5Å; E33-T37 PolarHBondContact O-N 2.93Å; E33-T37 PolarHBondContact O-OG1 3.45Å; T37-P39 WeakPolarHBondContact O-CD 3.47Å; T37-I47 WeakPolarHBondContact O-CG2 3.46Å; T37-T52 HydrophobicContact CG2-CG2 4.13Å
38V66.9Low73Confident18 Ų1880 Ų8011%0.10946%0.46CS..SBendtrans-102.190.4170.1-173.20000107.5L34L34-V38 HydrophobicContact CD2-CG2 3.76Å; L34-V38 WeakPolarHBondContact O-CA 3.35Å; L34-V38 VanDerWaalsContact O-CB 3.27Å; L34-V38 WeakPolarHBondContact O-CB 3.11Å; L34-V38 PolarHBondContact O-N 3.48Å
39P61.1Low72.5Confident29 Ų2975 Ų7519%0.18844%0.435CS..  trans-61.3142.9-177.713.8-18.8000111.1T37 F43 I47T37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-F43 HydrophobicContact CB-CB 3.35Å; P39-F43 HydrophobicContact CG-CB 4.32Å; P39-I47 HydrophobicContact CG-CB 4.15Å; P39-I47 HydrophobicContact CG-CD1 4.35Å
40T61Low72.2Confident102 Ų10271.9 Ų71.963%0.62643%0.432SS*.  trans-55.7154.2159.438.30000109.3S42 F43T40-S42 PolarHBondContact O-N 2.95Å; T40-F43 PolarHBondContact O-N 3.21Å
41A59.1Low71.9Confident97 Ų9776.9 Ų76.980%0.80246%0.455SS*.G310 helixtrans-45.5-27.4-172.600000114.9F43A41-F43 VanDerWaalsContact C-N 3.28Å; A41-F43 PolarHBondContact O-N 3Å
42S53.6Low71.9Confident106 Ų10675.5 Ų75.574%0.74145%0.447SS*.G310 helixtrans-64.8-15.6175.8-43.70000116T40T40-S42 PolarHBondContact O-N 2.95Å
43F57.1Low72.1Confident125 Ų12569.5 Ų69.555%0.54842%0.419SS..G310 helixtrans-124.111.8-175.8-70.8-85.1000113.8P39 T40 A41 G45 K46P39-F43 HydrophobicContact CB-CB 3.35Å; P39-F43 HydrophobicContact CG-CB 4.32Å; T40-F43 PolarHBondContact O-N 3.21Å; A41-F43 VanDerWaalsContact C-N 3.28Å; A41-F43 PolarHBondContact O-N 3Å; F43-G45 PolarHBondContact O-N 3.47Å; F43-K46 PolarHBondContact O-N 3.41Å
44A58.4Low72.4Confident72 Ų7270.3 Ų70.360%0.59542%0.421SS*.THydrogen-bonded Turntrans-59.6-12.3-174.200000115.7
45G58.8Low72.7Confident83 Ų8375 Ų7586%0.85644%0.443SS*.THydrogen-bonded Turntrans-88-4.1-179.400000116.1F43F43-G45 PolarHBondContact O-N 3.47Å
46K62.9Low73.2Confident184 Ų18471.6 Ų71.680%0.843%0.425SS*.SBendtrans-113.2-16.8-173.8-67.3-173.5-179.2-178.50115.3F43F43-K46 PolarHBondContact O-N 3.41Å
47I70.4Confident73.9Confident67 Ų6768.6 Ų68.634%0.34441%0.405SS..  trans-136.8127.9-173.8-55.5175.4000109.3T37 P39 A49T37-I47 WeakPolarHBondContact O-CG2 3.46Å; P39-I47 HydrophobicContact CG-CB 4.15Å; P39-I47 HydrophobicContact CG-CD1 4.35Å; I47-A49 PolarHBondContact O-N 3.39Å; I47-A49 VanDerWaalsContact O-N 3.12Å
48D80.2Confident75.2Confident90 Ų9071.7 Ų71.748%0.48142%0.418SS..  trans-76.496170.6-172.5-20.1000109.6S50 Q51 T52D48-S50 PolarHBondContact O-N 2.82Å; D48-S50 WeakPolarHBondContact OD1-CA 3.47Å; D48-S50 VanDerWaalsContact OD1-CB 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.4Å; D48-S50 PolarHBondContact OD1-N 3.43Å; D48-Q51 HydrophobicContact CB-CB 4.05Å; D48-Q51 PolarHBondContact O-N 3.49Å; D48-Q51 PolarHBondContact OD1-N 3.36Å; D48-T52 PolarHBondContact O-N 2.93Å; D48-T52 PolarHBondContact O-OG1 3.42Å
49A82.1Confident76.5Confident13 Ų1373.7 Ų73.711%0.10743%0.432CS..Hα-helixtrans-62.8-28.5178.300000112.6I47 C53 H137I47-A49 PolarHBondContact O-N 3.39Å; I47-A49 VanDerWaalsContact O-N 3.12Å; A49-C53 VanDerWaalsContact O-CB 3.23Å; A49-C53 WeakPolarHBondContact O-CB 3.37Å; A49-C53 PolarHBondContact O-N 3.34Å; A49-C53 PolarHBondContact O-SG 3.31Å; A49-H137 HydrophobicContact CB-CB 4.21Å; A49-H137 WeakPolarHBondContact CB-ND1 3.3Å
50S85Confident78Confident56 Ų5672.3 Ų72.339%0.39242%0.423SS..Hα-helixtrans-70-49.5178.5-167.30000110.8D48 T52 C53 K54 H137D48-S50 PolarHBondContact O-N 2.82Å; D48-S50 WeakPolarHBondContact OD1-CA 3.47Å; D48-S50 VanDerWaalsContact OD1-CB 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.4Å; D48-S50 PolarHBondContact OD1-N 3.43Å; S50-T52 VanDerWaalsContact C-N 3.34Å; S50-T52 PolarHBondContact O-N 2.94Å; S50-C53 PolarHBondContact O-N 3.27Å; S50-K54 WeakPolarHBondContact O-CB 3.44Å; S50-K54 PolarHBondContact O-N 3.27Å; S50-H137 WeakPolarHBondContact CA-O 3.44Å; S50-H137 VanDerWaalsContact CB-O 3.28Å; S50-H137 WeakPolarHBondContact CB-O 3.42Å; S50-H137 PolarHBondContact OG-O 2.93Å
51Q86.6Confident79.7Confident110 Ų11071.2 Ų71.251%0.51441%0.412SS..Hα-helixtrans-61.6-42.8176.9-174.81785.600111.7D48 K54 Q55D48-Q51 HydrophobicContact CB-CB 4.05Å; D48-Q51 PolarHBondContact O-N 3.49Å; D48-Q51 PolarHBondContact OD1-N 3.36Å; Q51-K54 WeakPolarHBondContact O-CB 3.21Å; Q51-K54 PolarHBondContact O-N 2.95Å; Q51-Q55 WeakPolarHBondContact O-CG 3.3Å; Q51-Q55 PolarHBondContact O-N 3.35Å
52T86.6Confident81.4Confident31 Ų3169.5 Ų69.519%0.1940%0.398CS..Hα-helixtrans-67.3-44.8-178.5-50.50000111.7T37 D48 S50 K54 Q55 L56T37-T52 HydrophobicContact CG2-CG2 4.13Å; D48-T52 PolarHBondContact O-N 2.93Å; D48-T52 PolarHBondContact O-OG1 3.42Å; S50-T52 VanDerWaalsContact C-N 3.34Å; S50-T52 PolarHBondContact O-N 2.94Å; T52-K54 VanDerWaalsContact C-N 3.28Å; T52-K54 PolarHBondContact O-N 2.97Å; T52-Q55 PolarHBondContact O-N 2.95Å; T52-L56 WeakPolarHBondContact O-CB 3.24Å; T52-L56 PolarHBondContact O-N 3.19Å
53C89.8Confident83.4Confident1 Ų165.4 Ų65.41%0.00737%0.371CS..Hα-helixtrans-61.1-36.9174.4-76.20000112.3A49 S50 Y57 F130 C134 H137 F138A49-C53 VanDerWaalsContact O-CB 3.23Å; A49-C53 WeakPolarHBondContact O-CB 3.37Å; A49-C53 PolarHBondContact O-N 3.34Å; A49-C53 PolarHBondContact O-SG 3.31Å; S50-C53 PolarHBondContact O-N 3.27Å; C53-Y57 WeakPolarHBondContact O-CB 3.36Å; C53-Y57 PolarHBondContact O-N 2.99Å; C53-F130 HydrophobicContact CB-CE2 4.42Å; C53-F130 VanDerWaalsContact O-CE2 3.25Å; C53-F130 WeakPolarHBondContact O-CE2 3.32Å; C53-F130 WeakPolarHBondContact O-CZ 3.44Å; C53-C134 HydrophobicContact CB-CB 3.6Å; C53-C134 WeakPolarHBondContact CB-SG 3.37Å; C53-C134 VanDerWaalsContact SG-CA 3.53Å; C53-C134 WeakPolarHBondContact SG-CB 3.42Å; C53-C134 CovalentContact SG-SG 2.04Å; C53-C134 PolarHBondContact SG-SG 3.41Å; C53-H137 HydrophobicContact CB-CB 4.42Å; C53-F138 HydrophobicContact CB-CB 3.67Å
54K91.4Very high85.3Confident99 Ų9960.1 Ų60.143%0.4335%0.347SS..Hα-helixtrans-63.5-48.8174.1-179.6179.3173.5-176.30112S50 Q51 T52 L56 Y57 E58 F138S50-K54 WeakPolarHBondContact O-CB 3.44Å; S50-K54 PolarHBondContact O-N 3.27Å; Q51-K54 WeakPolarHBondContact O-CB 3.21Å; Q51-K54 PolarHBondContact O-N 2.95Å; T52-K54 VanDerWaalsContact C-N 3.28Å; T52-K54 PolarHBondContact O-N 2.97Å; K54-L56 VanDerWaalsContact C-N 3.33Å; K54-L56 PolarHBondContact O-N 3.35Å; K54-Y57 WeakPolarHBondContact O-CB 3.48Å; K54-Y57 PolarHBondContact O-N 3.48Å; K54-E58 WeakPolarHBondContact CE-OE1 3.44Å; K54-E58 IonicContact NZ-OE1 3.7Å; K54-E58 WeakPolarHBondContact O-CG 3.32Å; K54-E58 PolarHBondContact O-N 3.04Å; K54-F138 HydrophobicContact CB-CD2 3.7Å; K54-F138 HydrophobicContact CB-CE2 3.65Å; K54-F138 HydrophobicContact CB-CG 4.3Å; K54-F138 HydrophobicContact CB-CZ 4.19Å; K54-F138 HydrophobicContact CD-CE2 4.04Å; K54-F138 HydrophobicContact CG-CD2 4.2Å; K54-F138 HydrophobicContact CG-CE2 3.61Å; K54-F138 HydrophobicContact CG-CZ 3.97Å
55Q90.6Very high87.1Confident100 Ų10059.6 Ų59.647%0.46734%0.343SS..Hα-helixtrans-62.9-40.3179.6-73.4176-16.800112.1Q51 T52 E58 S59Q51-Q55 WeakPolarHBondContact O-CG 3.3Å; Q51-Q55 PolarHBondContact O-N 3.35Å; T52-Q55 PolarHBondContact O-N 2.95Å; Q55-E58 PolarHBondContact O-N 3.01Å; Q55-S59 WeakPolarHBondContact O-CB 3.32Å; Q55-S59 PolarHBondContact O-N 2.97Å; Q55-S59 PolarHBondContact O-OG 3.47Å
56L90.6Very high88.8Confident13 Ų1358.4 Ų58.47%0.06832%0.322CS..Hα-helixtrans-64.8-42.2175.5-178.561.6000111.4I30 L34 T52 K54 S59 L60 F130I30-L56 HydrophobicContact CG1-CD2 4.25Å; L34-L56 HydrophobicContact CD1-CD2 4.2Å; L34-L56 HydrophobicContact CD2-CD2 3.51Å; L34-L56 HydrophobicContact CG-CD2 3.69Å; T52-L56 WeakPolarHBondContact O-CB 3.24Å; T52-L56 PolarHBondContact O-N 3.19Å; K54-L56 VanDerWaalsContact C-N 3.33Å; K54-L56 PolarHBondContact O-N 3.35Å; L56-S59 PolarHBondContact O-N 3.39Å; L56-L60 HydrophobicContact CD1-CD1 4.17Å; L56-L60 HydrophobicContact CD1-CG 4.19Å; L56-L60 HydrophobicContact CG-CD1 3.93Å; L56-L60 HydrophobicContact CG-CG 4.4Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.38Å; L56-F130 HydrophobicContact CB-CE2 4.38Å; L56-F130 HydrophobicContact CD2-CD2 3.99Å; L56-F130 HydrophobicContact CD2-CE2 4.35Å; L56-F130 HydrophobicContact CG-CD2 4.21Å; L56-F130 HydrophobicContact CG-CE2 4.38Å
57Y93Very high90.4Very high14 Ų1449.7 Ų49.76%0.05528%0.284CS..Hα-helixtrans-57.4-51.5174.4173.6-96.7000111.9C53 K54 S59 L60 M61 W127 F130 F138 P140 P141C53-Y57 WeakPolarHBondContact O-CB 3.36Å; C53-Y57 PolarHBondContact O-N 2.99Å; K54-Y57 WeakPolarHBondContact O-CB 3.48Å; K54-Y57 PolarHBondContact O-N 3.48Å; Y57-S59 VanDerWaalsContact C-N 3.3Å; Y57-S59 PolarHBondContact O-N 3.08Å; Y57-L60 PolarHBondContact O-N 3.4Å; Y57-M61 HydrophobicContact CD1-CG 4.36Å; Y57-M61 HydrophobicContact CD2-CG 4.45Å; Y57-M61 HydrophobicContact CE1-CE 3.84Å; Y57-M61 HydrophobicContact CE1-CG 3.99Å; Y57-M61 HydrophobicContact CE1-SD 3.6Å; Y57-M61 HydrophobicContact CE2-CG 4.05Å; Y57-M61 HydrophobicContact CE2-SD 4.03Å; Y57-M61 WeakPolarHBondContact O-CG 3.27Å; Y57-M61 PolarHBondContact O-N 2.87Å; Y57-M61 PolarHBondContact OH-SD 3.37Å; Y57-W127 AromaticContact CD2-CH2 3.52Å; Y57-W127 HydrophobicContact CD2-CH2 3.52Å; Y57-W127 AromaticContact CD2-CZ3 3.45Å; Y57-W127 HydrophobicContact CD2-CZ3 3.45Å; Y57-W127 VanDerWaalsContact CD2-CZ3 3.45Å; Y57-W127 AromaticContact CE2-CH2 3.68Å; Y57-W127 HydrophobicContact CE2-CH2 3.68Å; Y57-W127 AromaticContact CE2-CZ3 3.83Å; Y57-W127 HydrophobicContact CE2-CZ3 3.83Å; Y57-W127 HydrophobicContact CG-CH2 4.37Å; Y57-W127 HydrophobicContact CG-CZ3 4.47Å; Y57-F130 HydrophobicContact CD2-CE1 4.02Å; Y57-F130 HydrophobicContact CD2-CZ 4.17Å; Y57-F130 HydrophobicContact CG-CZ 4.36Å; Y57-F138 AromaticContact CD1-CE1 3.8Å; Y57-F138 HydrophobicContact CD1-CE1 3.8Å; Y57-F138 HydrophobicContact CD1-CZ 4.16Å; Y57-F138 HydrophobicContact CD2-CE1 4.17Å; Y57-F138 HydrophobicContact CE1-CE1 4.4Å; Y57-F138 HydrophobicContact CG-CD1 4.46Å; Y57-F138 AromaticContact CG-CE1 3.66Å; Y57-F138 HydrophobicContact CG-CE1 3.66Å; Y57-F138 HydrophobicContact CG-CZ 4.45Å; Y57-P140 HydrophobicContact CD2-CB 4.22Å; Y57-P140 HydrophobicContact CD2-CG 4.02Å; Y57-P140 HydrophobicContact CE2-CB 3.59Å; Y57-P140 HydrophobicContact CE2-CG 3.79Å; Y57-P141 HydrophobicContact CE1-CG 4.42Å
58E94.1Very high91.7Very high96 Ų9649 Ų4945%0.44928%0.281SS..Hα-helixtrans-60.4-41.7179.3-71172.2179.200111.4K54 Q55 A62K54-E58 WeakPolarHBondContact CE-OE1 3.44Å; K54-E58 IonicContact NZ-OE1 3.7Å; K54-E58 WeakPolarHBondContact O-CG 3.32Å; K54-E58 PolarHBondContact O-N 3.04Å; Q55-E58 PolarHBondContact O-N 3.01Å; E58-A62 VanDerWaalsContact O-CB 3.31Å; E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 3.06Å
59S93.5Very high92.4Very high59 Ų5954.2 Ų54.241%0.41329%0.294SS..Hα-helixtrans-66.1-43178-58.60000112.3Q55 L56 Y57 A63Q55-S59 WeakPolarHBondContact O-CB 3.32Å; Q55-S59 PolarHBondContact O-N 2.97Å; Q55-S59 PolarHBondContact O-OG 3.47Å; L56-S59 PolarHBondContact O-N 3.39Å; Y57-S59 VanDerWaalsContact C-N 3.3Å; Y57-S59 PolarHBondContact O-N 3.08Å; S59-A63 VanDerWaalsContact O-CB 3.27Å; S59-A63 WeakPolarHBondContact O-CB 3.3Å; S59-A63 PolarHBondContact O-N 3.1Å
60L94.3Very high93.1Very high0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-63.8-48.5176.2-77.2168.1000111.1I26 I30 L56 Y57 A62 A63 H64 W127 F130I26-L60 HydrophobicContact CD1-CD2 4.12Å; I26-L60 HydrophobicContact CD1-CG 4.31Å; I26-L60 HydrophobicContact CG1-CD2 4.02Å; I26-L60 HydrophobicContact CG2-CD2 4.44Å; I30-L60 HydrophobicContact CD1-CD1 3.54Å; I30-L60 HydrophobicContact CD1-CD2 4.12Å; I30-L60 HydrophobicContact CD1-CG 4.45Å; I30-L60 HydrophobicContact CG1-CD1 4.35Å; L56-L60 HydrophobicContact CD1-CD1 4.17Å; L56-L60 HydrophobicContact CD1-CG 4.19Å; L56-L60 HydrophobicContact CG-CD1 3.93Å; L56-L60 HydrophobicContact CG-CG 4.4Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.38Å; Y57-L60 PolarHBondContact O-N 3.4Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 2.95Å; L60-A63 PolarHBondContact O-N 2.94Å; L60-H64 WeakPolarHBondContact O-CB 3.41Å; L60-H64 PolarHBondContact O-CD2 3.42Å; L60-H64 PolarHBondContact O-N 2.97Å; L60-W127 HydrophobicContact CB-CH2 3.83Å; L60-W127 HydrophobicContact CB-CZ2 4.17Å; L60-W127 HydrophobicContact CB-CZ3 4.38Å; L60-W127 HydrophobicContact CD1-CZ3 4.24Å; L60-F130 HydrophobicContact CD1-CB 4.36Å; L60-F130 HydrophobicContact CD1-CD2 4.13Å; L60-F130 HydrophobicContact CD1-CG 4.42Å
61M95.2Very high93.6Very high79 Ų7951.6 Ų51.639%0.38927%0.274SS..Hα-helixtrans-58.3-47177.3-70.4-143.9-43.100112.1Y57 A63 H64 A65 W127Y57-M61 HydrophobicContact CD1-CG 4.36Å; Y57-M61 HydrophobicContact CD2-CG 4.45Å; Y57-M61 HydrophobicContact CE1-CE 3.84Å; Y57-M61 HydrophobicContact CE1-CG 3.99Å; Y57-M61 HydrophobicContact CE1-SD 3.6Å; Y57-M61 HydrophobicContact CE2-CG 4.05Å; Y57-M61 HydrophobicContact CE2-SD 4.03Å; Y57-M61 WeakPolarHBondContact O-CG 3.27Å; Y57-M61 PolarHBondContact O-N 2.87Å; Y57-M61 PolarHBondContact OH-SD 3.37Å; M61-A63 VanDerWaalsContact C-N 3.34Å; M61-A63 PolarHBondContact O-N 3.47Å; M61-H64 PolarHBondContact O-N 2.88Å; M61-A65 VanDerWaalsContact O-CB 3.3Å; M61-A65 WeakPolarHBondContact O-CB 3.33Å; M61-A65 PolarHBondContact O-N 3.45Å; M61-W127 HydrophobicContact CG-CH2 3.73Å; M61-W127 HydrophobicContact CG-CZ2 3.82Å
62A95.3Very high94.1Very high62 Ų6251.6 Ų51.651%0.51227%0.273SS..Hα-helixtrans-63-41.5179.300000111.6E58 L60 S66E58-A62 VanDerWaalsContact O-CB 3.31Å; E58-A62 WeakPolarHBondContact O-CB 3.5Å; E58-A62 PolarHBondContact O-N 3.06Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 2.95Å; A62-S66 WeakPolarHBondContact O-CB 3.31Å; A62-S66 PolarHBondContact O-N 3.33Å
63A95.3Very high94.6Very high20 Ų2053.2 Ų53.217%0.16528%0.28CS..Hα-helixtrans-64.5-46.917700000112.1I26 S59 L60 M61 S66 R67I26-A63 HydrophobicContact CD1-CB 4.48Å; I26-A63 HydrophobicContact CG2-CB 3.77Å; S59-A63 VanDerWaalsContact O-CB 3.27Å; S59-A63 WeakPolarHBondContact O-CB 3.3Å; S59-A63 PolarHBondContact O-N 3.1Å; L60-A63 PolarHBondContact O-N 2.94Å; M61-A63 VanDerWaalsContact C-N 3.34Å; M61-A63 PolarHBondContact O-N 3.47Å; A63-S66 PolarHBondContact O-N 3.3Å; A63-R67 WeakPolarHBondContact O-CG 3.41Å; A63-R67 PolarHBondContact O-N 3.21Å
64H96.4Very high94.9Very high13 Ų1353.2 Ų53.26%0.0628%0.28CS..Hα-helixtrans-61-48.5178.4-68-169.3000110.8D27 L60 M61 S66 R67 D68 N123 W127D27-H64 IonicContact OD1-CD2 3.7Å; D27-H64 IonicContact OD1-CE1 3.85Å; D27-H64 IonicContact OD1-NE2 2.83Å; D27-H64 PolarHBondContact OD1-NE2 3.1Å; L60-H64 WeakPolarHBondContact O-CB 3.41Å; L60-H64 PolarHBondContact O-CD2 3.42Å; L60-H64 PolarHBondContact O-N 2.97Å; M61-H64 PolarHBondContact O-N 2.88Å; H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 3.35Å; H64-R67 PolarHBondContact CD2-NH2 2.91Å; H64-R67 PolarHBondContact NE2-NH2 3.33Å; H64-R67 PolarHBondContact O-N 2.96Å; H64-D68 WeakPolarHBondContact O-CB 3.48Å; H64-D68 PolarHBondContact O-N 3.25Å; H64-N123 PolarHBondContact CD2-OD1 3.44Å; H64-N123 VanDerWaalsContact CD2-OD1 3.27Å; H64-N123 PolarHBondContact CE1-OD1 2.89Å; H64-N123 VanDerWaalsContact CE1-OD1 3.26Å; H64-N123 VanDerWaalsContact CG-OD1 3.26Å; H64-N123 PolarHBondContact ND1-OD1 3.12Å; H64-N123 PolarHBondContact NE2-OD1 2.89Å; H64-W127 AromaticContact CE1-CD1 3.93Å; H64-W127 AromaticContact CE1-CE2 3.82Å; H64-W127 AromaticContact CE1-NE1 3.36Å; H64-W127 PolarHBondContact CE1-NE1 3.28Å; H64-W127 AromaticContact ND1-CE2 3.72Å; H64-W127 AromaticContact ND1-CZ2 3.94Å; H64-W127 AromaticContact ND1-NE1 3.14Å; H64-W127 PolarHBondContact ND1-NE1 3.39Å; H64-W127 VanDerWaalsContact ND1-NE1 3.14Å
65A96.2Very high95.2Very high62 Ų6249.6 Ų49.651%0.51227%0.265SS..Hα-helixtrans-63-40.4177.500000112.2M61 R69M61-A65 VanDerWaalsContact O-CB 3.3Å; M61-A65 WeakPolarHBondContact O-CB 3.33Å; M61-A65 PolarHBondContact O-N 3.45Å; A65-R69 WeakPolarHBondContact O-CB 3.05Å; A65-R69 PolarHBondContact O-N 3.48Å; A65-R69 VanDerWaalsContact O-N 3.1Å
66S95.7Very high95.5Very high58 Ų5847.7 Ų47.741%0.40627%0.267SS..Hα-helixtrans-64.3-44.2176.1-173.20000111.7M23 A62 A63 H64 R69 V70M23-S66 WeakPolarHBondContact CE-OG 3.3Å; A62-S66 WeakPolarHBondContact O-CB 3.31Å; A62-S66 PolarHBondContact O-N 3.33Å; A63-S66 PolarHBondContact O-N 3.3Å; H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 3.35Å; S66-R69 PolarHBondContact O-N 3.02Å; S66-V70 VanDerWaalsContact O-CG2 3.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.36Å; S66-V70 PolarHBondContact O-N 3.48Å; S66-V70 VanDerWaalsContact O-N 3.08Å
67R96.6Very high95.7Very high0 Ų051.2 Ų51.20%028%0.283CS..Hα-helixtrans-66-45.6178.4-76.5-167.4-53.6-107.19.1112M23 D27 A63 H64 R69 V70 I71 E119 N123M23-R67 HydrophobicContact CB-CG 3.54Å; M23-R67 HydrophobicContact CE-CB 4.24Å; M23-R67 HydrophobicContact CE-CG 3.49Å; M23-R67 VanDerWaalsContact CE-CG 3.49Å; M23-R67 HydrophobicContact CG-CG 4.28Å; M23-R67 PolarHBondContact O-NH1 3.49Å; M23-R67 HydrophobicContact SD-CG 3.87Å; D27-R67 IonicContact OD1-NH2 3.99Å; D27-R67 PolarHBondContact OD1-NH2 3.37Å; D27-R67 IonicContact OD2-CZ 2.91Å; D27-R67 IonicContact OD2-NH1 3.46Å; D27-R67 PolarHBondContact OD2-NH1 3.18Å; D27-R67 IonicContact OD2-NH2 3.28Å; D27-R67 PolarHBondContact OD2-NH2 2.99Å; A63-R67 WeakPolarHBondContact O-CG 3.41Å; A63-R67 PolarHBondContact O-N 3.21Å; H64-R67 PolarHBondContact CD2-NH2 2.91Å; H64-R67 PolarHBondContact NE2-NH2 3.33Å; H64-R67 PolarHBondContact O-N 2.96Å; R67-R69 VanDerWaalsContact C-N 3.27Å; R67-R69 PolarHBondContact O-N 3.21Å; R67-V70 WeakPolarHBondContact O-CB 3.46Å; R67-V70 PolarHBondContact O-N 2.67Å; R67-I71 WeakPolarHBondContact O-CG1 3.34Å; R67-I71 PolarHBondContact O-N 2.89Å; R67-E119 IonicContact CZ-OE1 2.91Å; R67-E119 VanDerWaalsContact CZ-OE1 3.28Å; R67-E119 IonicContact CZ-OE2 3.12Å; R67-E119 VanDerWaalsContact NE-CD 3.31Å; R67-E119 IonicContact NE-OE1 2.98Å; R67-E119 PolarHBondContact NE-OE1 3.2Å; R67-E119 IonicContact NE-OE2 2.62Å; R67-E119 PolarHBondContact NE-OE2 3.3Å; R67-E119 VanDerWaalsContact NE-OE2 3.1Å; R67-E119 IonicContact NH2-OE1 2.95Å; R67-E119 PolarHBondContact NH2-OE1 3.03Å; R67-N123 PolarHBondContact NH2-OD1 3.37Å; R67-N123 VanDerWaalsContact NH2-OD1 3.14Å
68D96.5Very high95.9Very high53 Ų5350.7 Ų50.728%0.28328%0.281SS..Hα-helixtrans-55.1-45.1176.1177.873.2000111.3H64 V70 I71 K72H64-D68 WeakPolarHBondContact O-CB 3.48Å; H64-D68 PolarHBondContact O-N 3.25Å; D68-V70 PolarHBondContact O-N 3.15Å; D68-I71 PolarHBondContact O-N 3.45Å; D68-K72 WeakPolarHBondContact O-CB 3.41Å; D68-K72 WeakPolarHBondContact O-CG 3.37Å; D68-K72 PolarHBondContact O-N 3.19Å; D68-K72 WeakPolarHBondContact OD1-CE 3.43Å; D68-K72 IonicContact OD1-NZ 3.3Å; D68-K72 PolarHBondContact OD1-NZ 3.05Å; D68-K72 WeakPolarHBondContact OD2-CD 3.47Å; D68-K72 WeakPolarHBondContact OD2-CE 3.47Å; D68-K72 IonicContact OD2-NZ 3.28Å; D68-K72 PolarHBondContact OD2-NZ 3.07Å
69R96.3Very high96Very high199 Ų19948.8 Ų48.875%0.75128%0.278SS*.Hα-helixtrans-60.5-44175.3-174.6179.2179.8175.40.8112.3A65 S66 R67 N73A65-R69 WeakPolarHBondContact O-CB 3.05Å; A65-R69 PolarHBondContact O-N 3.48Å; A65-R69 VanDerWaalsContact O-N 3.1Å; S66-R69 PolarHBondContact O-N 3.02Å; R67-R69 VanDerWaalsContact C-N 3.27Å; R67-R69 PolarHBondContact O-N 3.21Å; R69-N73 WeakPolarHBondContact O-CB 3.4Å; R69-N73 PolarHBondContact O-N 3.31Å
70V95.9Very high96.2Very high15 Ų1548.3 Ų48.39%0.09128%0.278CS..Hα-helixtrans-62.9-48.8178.7167.10000111V8 F16 L19 L20 M23 S66 R67 D68 N73 C74V8-V70 HydrophobicContact CG1-CG1 3.82Å; V8-V70 HydrophobicContact CG2-CG1 4.26Å; V8-V70 HydrophobicContact CG2-CG2 3.91Å; F16-V70 HydrophobicContact CE2-CG1 4.24Å; L19-V70 HydrophobicContact CD2-CG1 4Å; L20-V70 HydrophobicContact CD2-CG1 4.3Å; M23-V70 HydrophobicContact CE-CG2 4.01Å; M23-V70 HydrophobicContact SD-CG1 4.47Å; M23-V70 HydrophobicContact SD-CG2 4.21Å; S66-V70 VanDerWaalsContact O-CG2 3.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.36Å; S66-V70 PolarHBondContact O-N 3.48Å; S66-V70 VanDerWaalsContact O-N 3.08Å; R67-V70 WeakPolarHBondContact O-CB 3.46Å; R67-V70 PolarHBondContact O-N 2.67Å; D68-V70 PolarHBondContact O-N 3.15Å; V70-N73 PolarHBondContact O-N 3.4Å; V70-C74 PolarHBondContact O-N 3.37Å
71I96.6Very high96.3Very high0 Ų051.1 Ų51.10%030%0.295CS..Hα-helixtrans-60.6-50.9179.7-64.2166.4000110.1F16 L20 R67 D68 N73 C74 I75 E115 L116 E119F16-I71 HydrophobicContact CE2-CG1 4.39Å; F16-I71 HydrophobicContact CZ-CB 4.43Å; F16-I71 HydrophobicContact CZ-CG1 4.09Å; F16-I71 HydrophobicContact CZ-CG2 4.42Å; L20-I71 HydrophobicContact CD1-CD1 4.32Å; L20-I71 HydrophobicContact CD1-CG1 4.03Å; L20-I71 HydrophobicContact CD2-CD1 4.13Å; L20-I71 HydrophobicContact CD2-CG1 3.7Å; R67-I71 WeakPolarHBondContact O-CG1 3.34Å; R67-I71 PolarHBondContact O-N 2.89Å; D68-I71 PolarHBondContact O-N 3.45Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-N73 PolarHBondContact O-N 3.4Å; I71-C74 PolarHBondContact O-N 3.24Å; I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.44Å; I71-I75 VanDerWaalsContact O-CG1 3.32Å; I71-I75 WeakPolarHBondContact O-CG1 3.44Å; I71-I75 PolarHBondContact O-N 2.91Å; I71-E115 HydrophobicContact CD1-CB 4.44Å; I71-E115 HydrophobicContact CG2-CB 4.3Å; I71-L116 HydrophobicContact CB-CD2 4.36Å; I71-L116 HydrophobicContact CG2-CD2 3.56Å; I71-L116 HydrophobicContact CG2-CG 3.81Å; I71-E119 HydrophobicContact CD1-CB 3.79Å; I71-E119 HydrophobicContact CD1-CG 3.94Å
72K97.3Very high96.4Very high109 Ų10948.2 Ų48.247%0.47428%0.281SS..Hα-helixtrans-62.1-39179.6-74.3175.5178.5159.10112.5D68 I75 A76 L116D68-K72 WeakPolarHBondContact O-CB 3.41Å; D68-K72 WeakPolarHBondContact O-CG 3.37Å; D68-K72 PolarHBondContact O-N 3.19Å; D68-K72 WeakPolarHBondContact OD1-CE 3.43Å; D68-K72 IonicContact OD1-NZ 3.3Å; D68-K72 PolarHBondContact OD1-NZ 3.05Å; D68-K72 WeakPolarHBondContact OD2-CD 3.47Å; D68-K72 WeakPolarHBondContact OD2-CE 3.47Å; D68-K72 IonicContact OD2-NZ 3.28Å; D68-K72 PolarHBondContact OD2-NZ 3.07Å; K72-I75 PolarHBondContact O-N 3.41Å; K72-A76 WeakPolarHBondContact O-CB 3.3Å; K72-A76 PolarHBondContact O-N 2.98Å; K72-L116 HydrophobicContact CG-CD2 4.37Å
73N95.9Very high96.5Very high66 Ų6651.3 Ų51.335%0.35328%0.283SS..Hα-helixtrans-61.9-47.5175.6177.354.7000111.6R69 V70 I71 I75 A76 Q77R69-N73 WeakPolarHBondContact O-CB 3.4Å; R69-N73 PolarHBondContact O-N 3.31Å; V70-N73 PolarHBondContact O-N 3.4Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-N73 PolarHBondContact O-N 3.4Å; N73-I75 PolarHBondContact O-N 3.26Å; N73-A76 PolarHBondContact O-N 2.93Å; N73-Q77 PolarHBondContact ND2-NE2 3.42Å; N73-Q77 WeakPolarHBondContact O-CG 3.36Å; N73-Q77 PolarHBondContact O-N 3.48Å; N73-Q77 PolarHBondContact OD1-NE2 3.29Å
74C96Very high96.6Very high0 Ų054.4 Ų54.40%030%0.297CS..Hα-helixtrans-66.5-36.6178.3-71.30000113.5V8 C10 F16 V70 I71 T78 M112V8-C74 VanDerWaalsContact CG1-SG 3.5Å; C10-C74 HydrophobicContact CB-CB 3.64Å; C10-C74 WeakPolarHBondContact CB-SG 3.48Å; C10-C74 WeakPolarHBondContact SG-CA 3.49Å; C10-C74 WeakPolarHBondContact SG-CB 3.33Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.41Å; F16-C74 HydrophobicContact CD2-CB 4.13Å; F16-C74 VanDerWaalsContact CD2-SG 3.58Å; F16-C74 HydrophobicContact CE2-CB 3.92Å; F16-C74 HydrophobicContact CZ-CB 4.43Å; V70-C74 PolarHBondContact O-N 3.37Å; I71-C74 PolarHBondContact O-N 3.24Å; C74-T78 WeakPolarHBondContact O-CB 3.32Å; C74-T78 PolarHBondContact O-N 2.94Å; C74-T78 PolarHBondContact O-OG1 3.44Å; C74-M112 HydrophobicContact CB-CE 4.39Å; C74-M112 HydrophobicContact CB-SD 4.01Å
75I97.2Very high96.6Very high24 Ų2454.2 Ų54.212%0.12330%0.296CS..Hα-helixtrans-61.1-46.3172.2-69.3169.2000110.2I71 K72 N73 T78 S79 L109 M112 Q113 L116I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.44Å; I71-I75 VanDerWaalsContact O-CG1 3.32Å; I71-I75 WeakPolarHBondContact O-CG1 3.44Å; I71-I75 PolarHBondContact O-N 2.91Å; K72-I75 PolarHBondContact O-N 3.41Å; N73-I75 PolarHBondContact O-N 3.26Å; I75-T78 PolarHBondContact O-N 2.88Å; I75-S79 WeakPolarHBondContact O-CB 3.39Å; I75-S79 PolarHBondContact O-N 2.91Å; I75-L109 HydrophobicContact CG2-CD1 4.02Å; I75-M112 HydrophobicContact CG1-CB 3.87Å; I75-Q113 HydrophobicContact CD1-CG 4.25Å; I75-Q113 HydrophobicContact CG1-CG 4.38Å; I75-Q113 HydrophobicContact CG2-CG 4.22Å; I75-L116 HydrophobicContact CD1-CD1 3.58Å; I75-L116 HydrophobicContact CD1-CD2 4.35Å; I75-L116 HydrophobicContact CD1-CG 3.78Å
76A97.4Very high96.5Very high60 Ų6058.5 Ų58.550%0.49630%0.299SS..Hα-helixtrans-62.9-45.4179.800000112K72 N73 S79 A80K72-A76 WeakPolarHBondContact O-CB 3.3Å; K72-A76 PolarHBondContact O-N 2.98Å; N73-A76 PolarHBondContact O-N 2.93Å; A76-S79 PolarHBondContact O-N 2.86Å; A76-A80 PolarHBondContact O-N 2.71Å
77Q95.8Very high96.5Very high87 Ų8759.6 Ų59.641%0.40730%0.298SS..Hα-helixtrans-60.4-50.8176.9-70.7-178.124.500111.7N73 S79 A80 V81N73-Q77 PolarHBondContact ND2-NE2 3.42Å; N73-Q77 WeakPolarHBondContact O-CG 3.36Å; N73-Q77 PolarHBondContact O-N 3.48Å; N73-Q77 PolarHBondContact OD1-NE2 3.29Å; Q77-S79 VanDerWaalsContact C-N 3.31Å; Q77-S79 PolarHBondContact O-N 3.15Å; Q77-A80 WeakPolarHBondContact O-CB 3.33Å; Q77-A80 PolarHBondContact O-N 2.91Å; Q77-V81 PolarHBondContact O-N 3.15Å; Q77-V81 VanDerWaalsContact O-N 3.13Å
78T96.1Very high96.4Very high3 Ų364.1 Ų64.12%0.01832%0.319CS..Hα-helixtrans-66.5-35.6-179.8-55.50000111.6C74 I75 A80 V81 V82 K108 L109 M112C74-T78 WeakPolarHBondContact O-CB 3.32Å; C74-T78 PolarHBondContact O-N 2.94Å; C74-T78 PolarHBondContact O-OG1 3.44Å; I75-T78 PolarHBondContact O-N 2.88Å; T78-A80 VanDerWaalsContact C-N 3.33Å; T78-A80 PolarHBondContact O-N 2.72Å; T78-V81 PolarHBondContact O-N 3.01Å; T78-V82 WeakPolarHBondContact O-CG2 3.29Å; T78-V82 PolarHBondContact O-N 2.91Å; T78-K108 HydrophobicContact CG2-CB 4.42Å; T78-K108 HydrophobicContact CG2-CG 4.33Å; T78-L109 HydrophobicContact CG2-CB 3.9Å; T78-L109 HydrophobicContact CG2-CD1 4.36Å; T78-M112 HydrophobicContact CG2-SD 4.41Å; T78-M112 PolarHBondContact OG1-SD 3.32Å
79S97.6Very high96.1Very high56 Ų5666 Ų6639%0.39232%0.322SS..Hα-helixtrans-62.7-39.9175-177.70000111.9I75 A76 Q77 V82 K83I75-S79 WeakPolarHBondContact O-CB 3.39Å; I75-S79 PolarHBondContact O-N 2.91Å; A76-S79 PolarHBondContact O-N 2.86Å; Q77-S79 VanDerWaalsContact C-N 3.31Å; Q77-S79 PolarHBondContact O-N 3.15Å; S79-V82 PolarHBondContact O-N 2.79Å; S79-K83 WeakPolarHBondContact O-CB 3.4Å; S79-K83 PolarHBondContact O-N 2.95Å
80A97.7Very high95.9Very high48 Ų4862.6 Ų62.640%0.39732%0.315SS..Hα-helixtrans-63.2-42.2174.300000111.7A76 Q77 T78 K83 N84A76-A80 PolarHBondContact O-N 2.71Å; Q77-A80 WeakPolarHBondContact O-CB 3.33Å; Q77-A80 PolarHBondContact O-N 2.91Å; T78-A80 VanDerWaalsContact C-N 3.33Å; T78-A80 PolarHBondContact O-N 2.72Å; A80-K83 WeakPolarHBondContact O-CB 2.99Å; A80-K83 PolarHBondContact O-N 3.09Å; A80-N84 VanDerWaalsContact O-CG 3.24Å; A80-N84 PolarHBondContact O-N 3.46Å; A80-N84 PolarHBondContact O-OD1 3.39Å
81V96.3Very high95.7Very high60 Ų6069.6 Ų69.636%0.36434%0.344SS..Hα-helixtrans-61.6-48.1175.5175.10000111.4Q77 T78 K83 N84 L85 E105Q77-V81 PolarHBondContact O-N 3.15Å; Q77-V81 VanDerWaalsContact O-N 3.13Å; T78-V81 PolarHBondContact O-N 3.01Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 2.96Å; V81-N84 PolarHBondContact O-N 3.14Å; V81-L85 HydrophobicContact CG1-CD1 3.91Å; V81-L85 HydrophobicContact CG1-CG 4.42Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.26Å; V81-E105 HydrophobicContact CG1-CG 3.96Å
82V97.2Very high95.4Very high17 Ų1774.3 Ų74.310%0.10337%0.369CS..Hα-helixtrans-59.9-39.8177170.40000111.3T78 S79 R86 L102 E105 Q106 L109T78-V82 WeakPolarHBondContact O-CG2 3.29Å; T78-V82 PolarHBondContact O-N 2.91Å; S79-V82 PolarHBondContact O-N 2.79Å; V82-R86 WeakPolarHBondContact O-CB 3.43Å; V82-R86 PolarHBondContact O-N 2.62Å; V82-L102 HydrophobicContact CG1-CD1 4.07Å; V82-E105 HydrophobicContact CG2-CB 3.68Å; V82-Q106 HydrophobicContact CG1-CG 3.86Å; V82-Q106 HydrophobicContact CG2-CG 4.37Å; V82-L109 HydrophobicContact CG2-CB 4.44Å; V82-L109 HydrophobicContact CG2-CD2 4.28Å
83K97.6Very high94.8Very high127 Ų12775 Ų7555%0.55238%0.378SS*.Hα-helixtrans-62.1-50.1176.8-173.8-172.3173.3-164.60111S79 A80 V81 L85 R86 E87S79-K83 WeakPolarHBondContact O-CB 3.4Å; S79-K83 PolarHBondContact O-N 2.95Å; A80-K83 WeakPolarHBondContact O-CB 2.99Å; A80-K83 PolarHBondContact O-N 3.09Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 2.96Å; K83-L85 PolarHBondContact O-N 2.94Å; K83-R86 WeakPolarHBondContact O-CB 3.33Å; K83-R86 PolarHBondContact O-N 2.91Å; K83-R86 VanDerWaalsContact O-N 3.16Å; K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 IonicContact NZ-OE1 3.94Å; K83-E87 WeakPolarHBondContact O-CG 3.49Å; K83-E87 PolarHBondContact O-N 3.1Å
84N96.4Very high94.6Very high85 Ų8579.1 Ų79.146%0.45540%0.399SS..Hα-helixtrans-61-46.6179.5-66-10.3000111.6A80 V81 R86 E87 E88A80-N84 VanDerWaalsContact O-CG 3.24Å; A80-N84 PolarHBondContact O-N 3.46Å; A80-N84 PolarHBondContact O-OD1 3.39Å; V81-N84 PolarHBondContact O-N 3.14Å; N84-R86 PolarHBondContact O-N 2.74Å; N84-E87 PolarHBondContact O-N 2.76Å; N84-E87 VanDerWaalsContact O-N 3.16Å; N84-E88 WeakPolarHBondContact O-CG 3.2Å; N84-E88 PolarHBondContact O-N 3.39Å
85L95.8Very high94.4Very high9 Ų981.9 Ų81.95%0.04741%0.414CS..Hα-helixtrans-61.6-33.6176.8-72.6171.5000112.4V81 K83 R89 L98 Q101 L102 E105V81-L85 HydrophobicContact CG1-CD1 3.91Å; V81-L85 HydrophobicContact CG1-CG 4.42Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.26Å; K83-L85 PolarHBondContact O-N 2.94Å; L85-R89 WeakPolarHBondContact O-CB 3.08Å; L85-R89 PolarHBondContact O-N 2.98Å; L85-L98 WeakPolarHBondContact O-CD2 3.47Å; L85-Q101 HydrophobicContact CD1-CG 3.9Å; L85-Q101 HydrophobicContact CD2-CG 4.18Å; L85-L102 HydrophobicContact CB-CB 4.45Å; L85-L102 HydrophobicContact CB-CD1 3.89Å; L85-E105 HydrophobicContact CD1-CB 4.09Å; L85-E105 HydrophobicContact CD1-CG 3.73Å
86R95.1Very high94.1Very high153 Ų15387.1 Ų87.158%0.57744%0.442SS*.Hα-helixtrans-67.2-44.6175.5-173.5177.5178.11721.8111.3V82 K83 N84 R89 E90 L102V82-R86 WeakPolarHBondContact O-CB 3.43Å; V82-R86 PolarHBondContact O-N 2.62Å; K83-R86 WeakPolarHBondContact O-CB 3.33Å; K83-R86 PolarHBondContact O-N 2.91Å; K83-R86 VanDerWaalsContact O-N 3.16Å; N84-R86 PolarHBondContact O-N 2.74Å; R86-R89 WeakPolarHBondContact O-CB 3.29Å; R86-R89 PolarHBondContact O-N 3.13Å; R86-E90 WeakPolarHBondContact O-CG 3.24Å; R86-E90 PolarHBondContact O-N 3.31Å; R86-E90 VanDerWaalsContact O-N 3.16Å; R86-L102 HydrophobicContact CB-CD1 4.46Å
87E95.4Very high93.9Very high81 Ų8189.1 Ų89.138%0.37945%0.448SS..Hα-helixtrans-64.9-37177-68.7174.8-171.600112.3K83 N84 E90K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 IonicContact NZ-OE1 3.94Å; K83-E87 WeakPolarHBondContact O-CG 3.49Å; K83-E87 PolarHBondContact O-N 3.1Å; N84-E87 PolarHBondContact O-N 2.76Å; N84-E87 VanDerWaalsContact O-N 3.16Å; E87-E90 PolarHBondContact O-N 2.87Å
88E93.6Very high93.8Very high94 Ų9485.6 Ų85.644%0.43943%0.432SS..Hα-helixtrans-68-38.2174.4-71176.1179.100112.1N84 E90 K91 N92 L98N84-E88 WeakPolarHBondContact O-CG 3.2Å; N84-E88 PolarHBondContact O-N 3.39Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.28Å; E88-K91 WeakPolarHBondContact O-CB 3.28Å; E88-K91 PolarHBondContact O-N 3.27Å; E88-K91 VanDerWaalsContact O-N 3.14Å; E88-N92 PolarHBondContact O-N 3.22Å; E88-L98 HydrophobicContact CB-CD1 3.73Å
89R90.9Very high93.7Very high93 Ų9387.1 Ų87.135%0.35144%0.44SS..Hα-helixtrans-61.7-38.7175.7-165.9178169.4-142.6-6.8112.7L85 R86 K91 N92 L93 L98L85-R89 WeakPolarHBondContact O-CB 3.08Å; L85-R89 PolarHBondContact O-N 2.98Å; R86-R89 WeakPolarHBondContact O-CB 3.29Å; R86-R89 PolarHBondContact O-N 3.13Å; R89-K91 PolarHBondContact O-N 2.98Å; R89-N92 CarbonylContact O-C 3.13Å; R89-N92 PolarHBondContact O-N 3.45Å; R89-N92 VanDerWaalsContact O-N 3.09Å; R89-L93 PolarHBondContact O-N 3.24Å; R89-L98 VanDerWaalsContact CA-CD2 3.4Å; R89-L98 HydrophobicContact CB-CD2 3.27Å; R89-L98 HydrophobicContact CG-CD2 3.73Å
90E91.7Very high93.6Very high127 Ų12792.3 Ų92.359%0.59346%0.455SS*.Hα-helixtrans-62.6-26.1178.9-73.7172.2-17200111.8R86 E87 E88R86-E90 WeakPolarHBondContact O-CG 3.24Å; R86-E90 PolarHBondContact O-N 3.31Å; R86-E90 VanDerWaalsContact O-N 3.16Å; E87-E90 PolarHBondContact O-N 2.87Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.28Å
91K93.1Very high93.4Very high162 Ų16294.9 Ų94.970%0.70446%0.459SS*.Hα-helixtrans-83-26.2175-60.8172.1-172.11710112.9E88 R89E88-K91 WeakPolarHBondContact O-CB 3.28Å; E88-K91 PolarHBondContact O-N 3.27Å; E88-K91 VanDerWaalsContact O-N 3.14Å; R89-K91 PolarHBondContact O-N 2.98Å
92N88.4Confident93.4Very high99 Ų9992.2 Ų92.253%0.52944%0.443SS..  trans-13878.3-175.4-64.2-51.6000111.2E88 R89 D94 D95E88-N92 PolarHBondContact O-N 3.22Å; R89-N92 CarbonylContact O-C 3.13Å; R89-N92 PolarHBondContact O-N 3.45Å; R89-N92 VanDerWaalsContact O-N 3.09Å; N92-D94 VanDerWaalsContact C-N 3.29Å; N92-D94 PolarHBondContact O-N 3Å; N92-D95 HydrophobicContact CB-CB 4.36Å; N92-D95 PolarHBondContact O-N 3.4Å
93L86.3Confident93.4Very high124 Ų12499 Ų9965%0.64947%0.466SS*.THydrogen-bonded Turntrans-65.1-27.7-170.4-70169.6000114.7R89R89-L93 PolarHBondContact O-N 3.24Å
94D90.7Very high93.3Very high152 Ų152100 Ų10081%0.81347%0.471SS*.THydrogen-bonded Turntrans-92.7-0.5-174.5-60-40.7000113.6N92 L96N92-D94 VanDerWaalsContact C-N 3.29Å; N92-D94 PolarHBondContact O-N 3Å; D94-L96 PolarHBondContact O-N 3.35Å
95D91.7Very high93.3Very high59 Ų5996.8 Ų96.832%0.31645%0.453SS..  trans-74.196.7178.5-169.5-19.2000111.4N92 T97 L98 L99N92-D95 HydrophobicContact CB-CB 4.36Å; N92-D95 PolarHBondContact O-N 3.4Å; D95-T97 PolarHBondContact O-N 3.48Å; D95-T97 WeakPolarHBondContact OD1-CA 3.45Å; D95-T97 WeakPolarHBondContact OD1-CB 3.25Å; D95-T97 PolarHBondContact OD1-N 2.91Å; D95-T97 PolarHBondContact OD1-OG1 3.12Å; D95-L98 HydrophobicContact CB-CB 3.93Å; D95-L98 PolarHBondContact O-N 3.24Å; D95-L98 PolarHBondContact OD1-N 3.26Å; D95-L98 VanDerWaalsContact OD1-N 3.16Å; D95-L99 PolarHBondContact O-N 3.27Å
96L91.3Very high93.4Very high134 Ų134100.6 Ų100.670%0.70247%0.471SS*.Hα-helixtrans-63.5-27.1177.4-63.9178.1000113.2D94 K100D94-L96 PolarHBondContact O-N 3.35Å; L96-K100 PolarHBondContact O-N 2.97Å; L96-K100 VanDerWaalsContact O-N 3.12Å
97T93.5Very high93.4Very high101 Ų10196.3 Ų96.362%0.6246%0.461SS*.Hα-helixtrans-70.9-43.7178.6730000110.1D95 K100 Q101D95-T97 PolarHBondContact O-N 3.48Å; D95-T97 WeakPolarHBondContact OD1-CA 3.45Å; D95-T97 WeakPolarHBondContact OD1-CB 3.25Å; D95-T97 PolarHBondContact OD1-N 2.91Å; D95-T97 PolarHBondContact OD1-OG1 3.12Å; T97-K100 WeakPolarHBondContact O-CB 3.35Å; T97-K100 PolarHBondContact O-N 3.3Å; T97-Q101 PolarHBondContact O-N 2.85Å
98L93.6Very high93.5Very high13 Ų1393.5 Ų93.57%0.06845%0.448CS..Hα-helixtrans-67.5-37.6178.1-164.6144.7000111.6L85 E88 R89 D95 K100 Q101 L102L85-L98 WeakPolarHBondContact O-CD2 3.47Å; E88-L98 HydrophobicContact CB-CD1 3.73Å; R89-L98 VanDerWaalsContact CA-CD2 3.4Å; R89-L98 HydrophobicContact CB-CD2 3.27Å; R89-L98 HydrophobicContact CG-CD2 3.73Å; D95-L98 HydrophobicContact CB-CB 3.93Å; D95-L98 PolarHBondContact O-N 3.24Å; D95-L98 PolarHBondContact OD1-N 3.26Å; D95-L98 VanDerWaalsContact OD1-N 3.16Å; L98-K100 PolarHBondContact O-N 3.04Å; L98-Q101 PolarHBondContact O-N 3.37Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 3.3Å
99L93.4Very high93.7Very high35 Ų3590 Ų9018%0.18343%0.433CS..Hα-helixtrans-59.7-44.2170.8177.762000112.3D95 R103D95-L99 PolarHBondContact O-N 3.27Å; L99-R103 WeakPolarHBondContact O-CG 3.42Å; L99-R103 PolarHBondContact O-N 2.9Å
100K95.3Very high94Very high166 Ų16692.7 Ų92.772%0.72245%0.446SS*.Hα-helixtrans-65-42.9179.3-173.7179.6179.1-177.70111.1L96 T97 L98 R103 K104L96-K100 PolarHBondContact O-N 2.97Å; L96-K100 VanDerWaalsContact O-N 3.12Å; T97-K100 WeakPolarHBondContact O-CB 3.35Å; T97-K100 PolarHBondContact O-N 3.3Å; L98-K100 PolarHBondContact O-N 3.04Å; K100-R103 PolarHBondContact O-N 3.35Å; K100-K104 PolarHBondContact O-N 3.44Å; K100-K104 VanDerWaalsContact O-N 3.09Å
101Q94.5Very high94.2Very high102 Ų10292.9 Ų92.948%0.47744%0.442SS..Hα-helixtrans-64.8-45.2177.3-171174.5-12.600111.7L85 T97 L98 R103 K104 E105L85-Q101 HydrophobicContact CD1-CG 3.9Å; L85-Q101 HydrophobicContact CD2-CG 4.18Å; T97-Q101 PolarHBondContact O-N 2.85Å; L98-Q101 PolarHBondContact O-N 3.37Å; Q101-R103 VanDerWaalsContact C-N 3.33Å; Q101-R103 PolarHBondContact O-N 3.36Å; Q101-K104 WeakPolarHBondContact O-CB 3.4Å; Q101-K104 PolarHBondContact O-N 3.14Å; Q101-K104 VanDerWaalsContact O-N 3.15Å; Q101-E105 PolarHBondContact O-N 3.49Å
102L95.9Very high94.4Very high4 Ų485.2 Ų85.22%0.02141%0.408CS..Hα-helixtrans-57.3-45.2176.1178.662.1000111.7V82 L85 R86 L98 K104 E105 Q106V82-L102 HydrophobicContact CG1-CD1 4.07Å; L85-L102 HydrophobicContact CB-CB 4.45Å; L85-L102 HydrophobicContact CB-CD1 3.89Å; R86-L102 HydrophobicContact CB-CD1 4.46Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 3.3Å; L102-K104 PolarHBondContact O-N 3.33Å; L102-E105 PolarHBondContact O-N 3.07Å; L102-Q106 HydrophobicContact CD1-CG 4.2Å; L102-Q106 HydrophobicContact CG-CG 4.44Å; L102-Q106 WeakPolarHBondContact O-CB 3.49Å; L102-Q106 VanDerWaalsContact O-CG 3.23Å; L102-Q106 WeakPolarHBondContact O-CG 3.39Å; L102-Q106 PolarHBondContact O-N 2.99Å
103R96.4Very high94.8Very high158 Ų15885 Ų8560%0.59640%0.404SS*.Hα-helixtrans-61.8-42.6176.6-74.3179.5-179.8175.81.9112.2L99 K100 Q101 Q106 T107L99-R103 WeakPolarHBondContact O-CG 3.42Å; L99-R103 PolarHBondContact O-N 2.9Å; K100-R103 PolarHBondContact O-N 3.35Å; Q101-R103 VanDerWaalsContact C-N 3.33Å; Q101-R103 PolarHBondContact O-N 3.36Å; R103-Q106 PolarHBondContact O-N 3.27Å; R103-T107 PolarHBondContact O-N 3.13Å; R103-T107 PolarHBondContact O-OG1 2.84Å
104K95.9Very high95.3Very high149 Ų14981.3 Ų81.365%0.64839%0.389SS*.Hα-helixtrans-58.3-49.7176.9-175.8-171.2176.4-169.70110.9K100 Q101 L102 T107 K108K100-K104 PolarHBondContact O-N 3.44Å; K100-K104 VanDerWaalsContact O-N 3.09Å; Q101-K104 WeakPolarHBondContact O-CB 3.4Å; Q101-K104 PolarHBondContact O-N 3.14Å; Q101-K104 VanDerWaalsContact O-N 3.15Å; L102-K104 PolarHBondContact O-N 3.33Å; K104-T107 PolarHBondContact O-N 3.14Å; K104-K108 PolarHBondContact O-N 3.08Å
105E96.5Very high95.6Very high18 Ų1875 Ų758%0.08435%0.354CS..Hα-helixtrans-68.5-34.9-178.9-68.5-60.8132.800112.4V81 V82 L85 Q101 L102 K108 L109V81-E105 HydrophobicContact CG1-CG 3.96Å; V82-E105 HydrophobicContact CG2-CB 3.68Å; L85-E105 HydrophobicContact CD1-CB 4.09Å; L85-E105 HydrophobicContact CD1-CG 3.73Å; Q101-E105 PolarHBondContact O-N 3.49Å; L102-E105 PolarHBondContact O-N 3.07Å; E105-K108 PolarHBondContact O-N 3.5Å; E105-K108 IonicContact OE1-NZ 2.93Å; E105-K108 PolarHBondContact OE1-NZ 2.97Å; E105-K108 WeakPolarHBondContact OE2-CE 3.31Å; E105-K108 IonicContact OE2-NZ 2.74Å; E105-K108 PolarHBondContact OE2-NZ 3.34Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 2.83Å
106Q97.4Very high95.9Very high88 Ų8875 Ų7541%0.41135%0.354SS..Hα-helixtrans-64.4-43.8172.5-76.7176.3-2500112.6V82 L102 R103 K108 L109 K110V82-Q106 HydrophobicContact CG1-CG 3.86Å; V82-Q106 HydrophobicContact CG2-CG 4.37Å; L102-Q106 HydrophobicContact CD1-CG 4.2Å; L102-Q106 HydrophobicContact CG-CG 4.44Å; L102-Q106 WeakPolarHBondContact O-CB 3.49Å; L102-Q106 VanDerWaalsContact O-CG 3.23Å; L102-Q106 WeakPolarHBondContact O-CG 3.39Å; L102-Q106 PolarHBondContact O-N 2.99Å; R103-Q106 PolarHBondContact O-N 3.27Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-L109 PolarHBondContact O-N 2.94Å; Q106-K110 PolarHBondContact O-N 2.97Å
107T96.9Very high96.2Very high63 Ų6373.4 Ų73.439%0.38735%0.346SS..Hα-helixtrans-62.1-43.7174.5-64.50000110.8R103 K104 K110 W111R103-T107 PolarHBondContact O-N 3.13Å; R103-T107 PolarHBondContact O-OG1 2.84Å; K104-T107 PolarHBondContact O-N 3.14Å; T107-K110 PolarHBondContact O-N 3.3Å; T107-W111 HydrophobicContact CG2-CD2 3.94Å; T107-W111 HydrophobicContact CG2-CE3 4.23Å; T107-W111 HydrophobicContact CG2-CH2 3.76Å; T107-W111 HydrophobicContact CG2-CZ2 3.42Å; T107-W111 VanDerWaalsContact CG2-CZ2 3.42Å; T107-W111 HydrophobicContact CG2-CZ3 4.15Å; T107-W111 PolarHBondContact O-N 3.05Å
108K96.1Very high96.3Very high23 Ų2371.3 Ų71.310%0.133%0.333CS..Hα-helixtrans-58.5-48.3175.5-172.717278.6-168.20111.9E11 F13 T78 K104 E105 Q106 K110 W111 M112E11-K108 PolarHBondContact O-NZ 2.6Å; F13-K108 HydrophobicContact CB-CG 4.29Å; T78-K108 HydrophobicContact CG2-CB 4.42Å; T78-K108 HydrophobicContact CG2-CG 4.33Å; K104-K108 PolarHBondContact O-N 3.08Å; E105-K108 PolarHBondContact O-N 3.5Å; E105-K108 IonicContact OE1-NZ 2.93Å; E105-K108 PolarHBondContact OE1-NZ 2.97Å; E105-K108 WeakPolarHBondContact OE2-CE 3.31Å; E105-K108 IonicContact OE2-NZ 2.74Å; E105-K108 PolarHBondContact OE2-NZ 3.34Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; K108-K110 VanDerWaalsContact C-N 3.31Å; K108-K110 PolarHBondContact O-N 3.26Å; K108-W111 PolarHBondContact O-N 2.84Å; K108-M112 HydrophobicContact CD-CE 3.96Å; K108-M112 HydrophobicContact CG-CE 3.78Å; K108-M112 HydrophobicContact CG-SD 4.35Å; K108-M112 WeakPolarHBondContact O-CG 3.27Å; K108-M112 PolarHBondContact O-N 3.26Å
109L97.6Very high96.5Very high21 Ų2170.9 Ų70.911%0.1133%0.331CS..Hα-helixtrans-57.5-44.5177.1-179.159.6000111.6I75 T78 V82 E105 Q106 W111 M112 Q113I75-L109 HydrophobicContact CG2-CD1 4.02Å; T78-L109 HydrophobicContact CG2-CB 3.9Å; T78-L109 HydrophobicContact CG2-CD1 4.36Å; V82-L109 HydrophobicContact CG2-CB 4.44Å; V82-L109 HydrophobicContact CG2-CD2 4.28Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 2.83Å; Q106-L109 PolarHBondContact O-N 2.94Å; L109-W111 VanDerWaalsContact C-N 3.34Å; L109-W111 PolarHBondContact O-N 3.41Å; L109-M112 PolarHBondContact O-N 2.96Å; L109-Q113 HydrophobicContact CD1-CG 4.37Å; L109-Q113 WeakPolarHBondContact O-CB 3.28Å; L109-Q113 VanDerWaalsContact O-CG 3.3Å; L109-Q113 WeakPolarHBondContact O-CG 3.36Å; L109-Q113 PolarHBondContact O-N 3.37Å
110K97.6Very high96.6Very high148 Ų14874.9 Ų74.964%0.64335%0.349SS*.Hα-helixtrans-60.9-42.7178.2-174.7-179.3178.2-178.20111.9Q106 T107 K108 Q113 S114Q106-K110 PolarHBondContact O-N 2.97Å; T107-K110 PolarHBondContact O-N 3.3Å; K108-K110 VanDerWaalsContact C-N 3.31Å; K108-K110 PolarHBondContact O-N 3.26Å; K110-Q113 PolarHBondContact O-N 3.49Å; K110-S114 PolarHBondContact O-N 3.45Å
111W96.7Very high96.7Very high132 Ų13271.7 Ų71.750%0.534%0.343SS..Hα-helixtrans-66.4-42.3176.8-64.9-27.2000112.2F13 T107 K108 L109 Q113 S114 E115F13-W111 HydrophobicContact CB-CE3 4.42Å; F13-W111 HydrophobicContact CD1-CD2 4.43Å; F13-W111 AromaticContact CD1-CE3 3.67Å; F13-W111 HydrophobicContact CD1-CE3 3.67Å; F13-W111 HydrophobicContact CD1-CZ3 4.26Å; F13-W111 HydrophobicContact CD2-CB 4Å; F13-W111 HydrophobicContact CD2-CE3 4.5Å; F13-W111 HydrophobicContact CE1-CB 4.06Å; F13-W111 HydrophobicContact CE1-CD2 4.4Å; F13-W111 HydrophobicContact CE1-CE3 4.08Å; F13-W111 HydrophobicContact CE1-CG 4.45Å; F13-W111 HydrophobicContact CE2-CB 3.5Å; F13-W111 VanDerWaalsContact CE2-CB 3.5Å; F13-W111 HydrophobicContact CG-CB 4.49Å; F13-W111 AromaticContact CG-CE3 3.93Å; F13-W111 HydrophobicContact CG-CE3 3.93Å; F13-W111 HydrophobicContact CZ-CB 3.55Å; F13-W111 HydrophobicContact CZ-CG 4.37Å; T107-W111 HydrophobicContact CG2-CD2 3.94Å; T107-W111 HydrophobicContact CG2-CE3 4.23Å; T107-W111 HydrophobicContact CG2-CH2 3.76Å; T107-W111 HydrophobicContact CG2-CZ2 3.42Å; T107-W111 VanDerWaalsContact CG2-CZ2 3.42Å; T107-W111 HydrophobicContact CG2-CZ3 4.15Å; T107-W111 PolarHBondContact O-N 3.05Å; K108-W111 PolarHBondContact O-N 2.84Å; L109-W111 VanDerWaalsContact C-N 3.34Å; L109-W111 PolarHBondContact O-N 3.41Å; W111-Q113 VanDerWaalsContact C-N 3.31Å; W111-Q113 PolarHBondContact O-N 2.93Å; W111-S114 WeakPolarHBondContact CA-OG 3.07Å; W111-S114 PolarHBondContact O-N 3.37Å; W111-S114 VanDerWaalsContact O-N 3.15Å; W111-S114 PolarHBondContact O-OG 3.29Å; W111-E115 PolarHBondContact O-N 3.01Å
112M96.1Very high96.8Very high0 Ų068.3 Ų68.30%033%0.329CS..Hα-helixtrans-62.4-38.5174.8-69179.4175.200112.3C10 F13 F16 C74 I75 T78 K108 L109 S114 E115C10-M112 VanDerWaalsContact O-CE 3.3Å; C10-M112 WeakPolarHBondContact O-CE 3.48Å; F13-M112 HydrophobicContact CD2-CE 4.48Å; F13-M112 HydrophobicContact CD2-CG 3.96Å; F13-M112 HydrophobicContact CE2-CG 4.16Å; F16-M112 HydrophobicContact CD1-CE 4.47Å; F16-M112 HydrophobicContact CD1-CG 4.06Å; F16-M112 HydrophobicContact CE1-CB 4.25Å; F16-M112 HydrophobicContact CE1-CG 3.84Å; C74-M112 HydrophobicContact CB-CE 4.39Å; C74-M112 HydrophobicContact CB-SD 4.01Å; I75-M112 HydrophobicContact CG1-CB 3.87Å; T78-M112 HydrophobicContact CG2-SD 4.41Å; T78-M112 PolarHBondContact OG1-SD 3.32Å; K108-M112 HydrophobicContact CD-CE 3.96Å; K108-M112 HydrophobicContact CG-CE 3.78Å; K108-M112 HydrophobicContact CG-SD 4.35Å; K108-M112 WeakPolarHBondContact O-CG 3.27Å; K108-M112 PolarHBondContact O-N 3.26Å; L109-M112 PolarHBondContact O-N 2.96Å; M112-S114 VanDerWaalsContact C-N 3.33Å; M112-S114 PolarHBondContact O-N 3.49Å; M112-E115 WeakPolarHBondContact O-CB 3.34Å; M112-E115 PolarHBondContact O-N 3.01Å
113Q97.5Very high96.8Very high94 Ų9469.5 Ų69.544%0.43934%0.336SS..Hα-helixtrans-64.3-36.3174.4-74.6174.1-25.800112.4I75 L109 K110 W111 E115 L116I75-Q113 HydrophobicContact CD1-CG 4.25Å; I75-Q113 HydrophobicContact CG1-CG 4.38Å; I75-Q113 HydrophobicContact CG2-CG 4.22Å; L109-Q113 HydrophobicContact CD1-CG 4.37Å; L109-Q113 WeakPolarHBondContact O-CB 3.28Å; L109-Q113 VanDerWaalsContact O-CG 3.3Å; L109-Q113 WeakPolarHBondContact O-CG 3.36Å; L109-Q113 PolarHBondContact O-N 3.37Å; K110-Q113 PolarHBondContact O-N 3.49Å; W111-Q113 VanDerWaalsContact C-N 3.31Å; W111-Q113 PolarHBondContact O-N 2.93Å; Q113-E115 PolarHBondContact O-N 3.41Å; Q113-L116 WeakPolarHBondContact O-CB 3.49Å; Q113-L116 PolarHBondContact O-N 2.87Å; Q113-L116 VanDerWaalsContact O-N 3.15Å
114S97.4Very high96.8Very high47 Ų4766.9 Ų66.933%0.32933%0.334SS..Hα-helixtrans-65-23175.858.10000113.6K110 W111 M112 L116 N117 V118K110-S114 PolarHBondContact O-N 3.45Å; W111-S114 WeakPolarHBondContact CA-OG 3.07Å; W111-S114 PolarHBondContact O-N 3.37Å; W111-S114 VanDerWaalsContact O-N 3.15Å; W111-S114 PolarHBondContact O-OG 3.29Å; M112-S114 VanDerWaalsContact C-N 3.33Å; M112-S114 PolarHBondContact O-N 3.49Å; S114-L116 PolarHBondContact O-N 3.48Å; S114-N117 WeakPolarHBondContact O-CB 3.32Å; S114-N117 PolarHBondContact O-N 2.93Å; S114-N117 VanDerWaalsContact O-N 3.13Å; S114-V118 PolarHBondContact O-N 3.3Å
115E97.1Very high96.8Very high19 Ų1968 Ų689%0.08933%0.334CS..Hα-helixtrans-66.3-22.1174.5-69.5-59.8129.300113.1F16 L20 R24 I71 W111 M112 Q113 N117 V118 E119F16-E115 HydrophobicContact CE1-CB 4.29Å; F16-E115 HydrophobicContact CE1-CG 3.73Å; F16-E115 HydrophobicContact CZ-CB 4.4Å; F16-E115 HydrophobicContact CZ-CG 4.29Å; L20-E115 HydrophobicContact CD1-CB 3.93Å; L20-E115 HydrophobicContact CD1-CG 3.7Å; L20-E115 WeakPolarHBondContact CD1-OE2 3.44Å; R24-E115 IonicContact CZ-OE2 2.74Å; R24-E115 VanDerWaalsContact CZ-OE2 3.32Å; R24-E115 IonicContact NH1-OE2 2.71Å; R24-E115 PolarHBondContact NH1-OE2 3.3Å; R24-E115 IonicContact NH2-OE2 3.1Å; R24-E115 PolarHBondContact NH2-OE2 3.31Å; I71-E115 HydrophobicContact CD1-CB 4.44Å; I71-E115 HydrophobicContact CG2-CB 4.3Å; W111-E115 PolarHBondContact O-N 3.01Å; M112-E115 WeakPolarHBondContact O-CB 3.34Å; M112-E115 PolarHBondContact O-N 3.01Å; Q113-E115 PolarHBondContact O-N 3.41Å; E115-N117 VanDerWaalsContact C-N 3.34Å; E115-V118 PolarHBondContact O-N 3.25Å; E115-E119 VanDerWaalsContact O-CB 3.3Å; E115-E119 WeakPolarHBondContact O-CB 3.39Å; E115-E119 PolarHBondContact O-N 3.08Å
116L97.4Very high96.7Very high59 Ų5967.3 Ų67.331%0.30933%0.331SS..Hα-helixtrans-63.9-41.1171.2-69.6170.4000111.4I71 K72 I75 Q113 S114 E119 E120I71-L116 HydrophobicContact CB-CD2 4.36Å; I71-L116 HydrophobicContact CG2-CD2 3.56Å; I71-L116 HydrophobicContact CG2-CG 3.81Å; K72-L116 HydrophobicContact CG-CD2 4.37Å; I75-L116 HydrophobicContact CD1-CD1 3.58Å; I75-L116 HydrophobicContact CD1-CD2 4.35Å; I75-L116 HydrophobicContact CD1-CG 3.78Å; Q113-L116 WeakPolarHBondContact O-CB 3.49Å; Q113-L116 PolarHBondContact O-N 2.87Å; Q113-L116 VanDerWaalsContact O-N 3.15Å; S114-L116 PolarHBondContact O-N 3.48Å; L116-E119 PolarHBondContact O-N 3.44Å; L116-E120 PolarHBondContact O-N 3Å
117N96.8Very high96.6Very high101 Ų10166 Ų6654%0.5432%0.322SS..Hα-helixtrans-68.6-38.3177.7-56.3-33.2000110.9S114 E115 E119 E120 V121S114-N117 WeakPolarHBondContact O-CB 3.32Å; S114-N117 PolarHBondContact O-N 2.93Å; S114-N117 VanDerWaalsContact O-N 3.13Å; E115-N117 VanDerWaalsContact C-N 3.34Å; N117-E119 VanDerWaalsContact C-N 3.33Å; N117-E120 PolarHBondContact O-N 2.84Å; N117-V121 WeakPolarHBondContact O-CG2 3.43Å; N117-V121 PolarHBondContact O-N 3.43Å
118V96.8Very high96.5Very high57 Ų5769.3 Ų69.335%0.34533%0.331SS..Hα-helixtrans-63.2-43.9174.6179.10000110.1S114 E115 E120 V121 V122S114-V118 PolarHBondContact O-N 3.3Å; E115-V118 PolarHBondContact O-N 3.25Å; V118-E120 PolarHBondContact O-N 3.19Å; V118-V121 PolarHBondContact O-N 3.17Å; V118-V122 HydrophobicContact CG1-CG2 4.26Å; V118-V122 VanDerWaalsContact O-CG2 3.28Å; V118-V122 WeakPolarHBondContact O-CG2 3.48Å; V118-V122 PolarHBondContact O-N 2.99Å
119E97.1Very high96.4Very high4 Ų469.4 Ų69.42%0.01933%0.334CS..Hα-helixtrans-62.5-41.6179-17261-162.100112.2R24 R67 I71 E115 L116 N117 V122 N123R24-E119 IonicContact NE-OE2 3.98Å; R24-E119 IonicContact NH2-OE2 2.76Å; R67-E119 IonicContact CZ-OE1 2.91Å; R67-E119 VanDerWaalsContact CZ-OE1 3.28Å; R67-E119 IonicContact CZ-OE2 3.12Å; R67-E119 VanDerWaalsContact NE-CD 3.31Å; R67-E119 IonicContact NE-OE1 2.98Å; R67-E119 PolarHBondContact NE-OE1 3.2Å; R67-E119 IonicContact NE-OE2 2.62Å; R67-E119 PolarHBondContact NE-OE2 3.3Å; R67-E119 VanDerWaalsContact NE-OE2 3.1Å; R67-E119 IonicContact NH2-OE1 2.95Å; R67-E119 PolarHBondContact NH2-OE1 3.03Å; I71-E119 HydrophobicContact CD1-CB 3.79Å; I71-E119 HydrophobicContact CD1-CG 3.94Å; E115-E119 VanDerWaalsContact O-CB 3.3Å; E115-E119 WeakPolarHBondContact O-CB 3.39Å; E115-E119 PolarHBondContact O-N 3.08Å; L116-E119 PolarHBondContact O-N 3.44Å; N117-E119 VanDerWaalsContact C-N 3.33Å; E119-V122 PolarHBondContact O-N 3.44Å; E119-N123 WeakPolarHBondContact O-CB 3.39Å; E119-N123 PolarHBondContact O-N 2.9Å; E119-N123 PolarHBondContact O-ND2 3.34Å; E119-N123 PolarHBondContact O-OD1 3.23Å; E119-N123 PolarHBondContact OE1-ND2 3.04Å; E119-N123 PolarHBondContact OE1-OD1 2.04Å
120E96.5Very high96.1Very high120 Ų12068.4 Ų68.456%0.56133%0.329SS*.Hα-helixtrans-56.8-50.8173.4-176179.1-170.600111.5L116 N117 V118 V122 N123 D124L116-E120 PolarHBondContact O-N 3Å; N117-E120 PolarHBondContact O-N 2.84Å; V118-E120 PolarHBondContact O-N 3.19Å; E120-V122 VanDerWaalsContact C-N 3.35Å; E120-V122 PolarHBondContact O-N 3.29Å; E120-N123 PolarHBondContact O-N 2.62Å; E120-D124 WeakPolarHBondContact O-CB 3.43Å; E120-D124 PolarHBondContact O-N 2.78Å
121V97.1Very high95.8Very high99 Ų9965 Ų6560%0.632%0.317SS*.Hα-helixtrans-62.9-40.7179.91740000112.1N117 V118 R125N117-V121 WeakPolarHBondContact O-CG2 3.43Å; N117-V121 PolarHBondContact O-N 3.43Å; V118-V121 PolarHBondContact O-N 3.17Å; V121-R125 WeakPolarHBondContact O-CB 3.29Å; V121-R125 PolarHBondContact O-N 3.25Å; V121-R125 VanDerWaalsContact O-N 3.08Å
122V96.2Very high95.6Very high30 Ų3064 Ų6418%0.18232%0.318CS..Hα-helixtrans-63.6-46.4177.1169.40000110.2R24 D27 V118 E119 E120 R125 S126R24-V122 HydrophobicContact CG-CG1 4.47Å; D27-V122 HydrophobicContact CB-CG1 3.67Å; V118-V122 HydrophobicContact CG1-CG2 4.26Å; V118-V122 VanDerWaalsContact O-CG2 3.28Å; V118-V122 WeakPolarHBondContact O-CG2 3.48Å; V118-V122 PolarHBondContact O-N 2.99Å; E119-V122 PolarHBondContact O-N 3.44Å; E120-V122 VanDerWaalsContact C-N 3.35Å; E120-V122 PolarHBondContact O-N 3.29Å; V122-R125 PolarHBondContact O-N 2.94Å; V122-S126 PolarHBondContact O-N 2.9Å; V122-S126 PolarHBondContact O-OG 2.85Å
123N95.9Very high95.2Very high30 Ų3069.1 Ų69.116%0.1634%0.337CS..Hα-helixtrans-63.4-46.5-179-68.4-8.5000111.2H64 R67 E119 E120 R125 S126 W127H64-N123 PolarHBondContact CD2-OD1 3.44Å; H64-N123 VanDerWaalsContact CD2-OD1 3.27Å; H64-N123 PolarHBondContact CE1-OD1 2.89Å; H64-N123 VanDerWaalsContact CE1-OD1 3.26Å; H64-N123 VanDerWaalsContact CG-OD1 3.26Å; H64-N123 PolarHBondContact ND1-OD1 3.12Å; H64-N123 PolarHBondContact NE2-OD1 2.89Å; R67-N123 PolarHBondContact NH2-OD1 3.37Å; R67-N123 VanDerWaalsContact NH2-OD1 3.14Å; E119-N123 WeakPolarHBondContact O-CB 3.39Å; E119-N123 PolarHBondContact O-N 2.9Å; E119-N123 PolarHBondContact O-ND2 3.34Å; E119-N123 PolarHBondContact O-OD1 3.23Å; E119-N123 PolarHBondContact OE1-ND2 3.04Å; E119-N123 PolarHBondContact OE1-OD1 2.04Å; E120-N123 PolarHBondContact O-N 2.62Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 3.46Å; N123-S126 PolarHBondContact O-N 3.12Å; N123-W127 WeakPolarHBondContact O-CB 3.02Å; N123-W127 PolarHBondContact O-N 3.31Å
124D96.2Very high94.8Very high103 Ų10364.6 Ų64.655%0.55132%0.316SS*.Hα-helixtrans-58.4-44.8177-84.1-1.3000112.1E120 W127 K128E120-D124 WeakPolarHBondContact O-CB 3.43Å; E120-D124 PolarHBondContact O-N 2.78Å; D124-W127 PolarHBondContact O-N 3.44Å; D124-K128 VanDerWaalsContact O-CB 3.28Å; D124-K128 WeakPolarHBondContact O-CB 3.33Å; D124-K128 PolarHBondContact O-N 3.46Å
125R95.6Very high94.4Very high173 Ų17371 Ų7165%0.65333%0.333SS*.Hα-helixtrans-63.2-47.6178.5-175.8-178.3178-163.2-1.7111.3V121 V122 N123 K128 V129V121-R125 WeakPolarHBondContact O-CB 3.29Å; V121-R125 PolarHBondContact O-N 3.25Å; V121-R125 VanDerWaalsContact O-N 3.08Å; V122-R125 PolarHBondContact O-N 2.94Å; N123-R125 VanDerWaalsContact C-N 3.33Å; N123-R125 PolarHBondContact O-N 3.46Å; R125-K128 PolarHBondContact O-N 3.46Å; R125-V129 WeakPolarHBondContact O-CG2 3.28Å; R125-V129 PolarHBondContact O-N 3.21Å; R125-V129 VanDerWaalsContact O-N 3.13Å
126S95.1Very high93.9Very high3 Ų376.4 Ų76.42%0.02136%0.361CS..Hα-helixtrans-61.6-46178.5-710000111.6D27 I30 V122 N123 K128 V129 F130D27-S126 WeakPolarHBondContact CB-OG 3.23Å; D27-S126 VanDerWaalsContact CG-OG 3.28Å; D27-S126 VanDerWaalsContact OD1-CB 3.29Å; D27-S126 WeakPolarHBondContact OD1-CB 2.98Å; D27-S126 PolarHBondContact OD1-OG 3.4Å; I30-S126 VanDerWaalsContact CD1-O 3.24Å; I30-S126 WeakPolarHBondContact CD1-O 3.42Å; V122-S126 PolarHBondContact O-N 2.9Å; V122-S126 PolarHBondContact O-OG 2.85Å; N123-S126 PolarHBondContact O-N 3.12Å; S126-K128 VanDerWaalsContact C-N 3.35Å; S126-K128 PolarHBondContact O-N 3.23Å; S126-V129 PolarHBondContact O-N 3.35Å; S126-F130 WeakPolarHBondContact O-CB 3.28Å; S126-F130 PolarHBondContact O-N 3.44Å
127W95.2Very high93.4Very high59 Ų5976.5 Ų76.522%0.22336%0.36CS..Hα-helixtrans-65.2-38.2178.8-76.2125000113Y57 L60 M61 H64 N123 D124 F130 N131Y57-W127 AromaticContact CD2-CH2 3.52Å; Y57-W127 HydrophobicContact CD2-CH2 3.52Å; Y57-W127 AromaticContact CD2-CZ3 3.45Å; Y57-W127 HydrophobicContact CD2-CZ3 3.45Å; Y57-W127 VanDerWaalsContact CD2-CZ3 3.45Å; Y57-W127 AromaticContact CE2-CH2 3.68Å; Y57-W127 HydrophobicContact CE2-CH2 3.68Å; Y57-W127 AromaticContact CE2-CZ3 3.83Å; Y57-W127 HydrophobicContact CE2-CZ3 3.83Å; Y57-W127 HydrophobicContact CG-CH2 4.37Å; Y57-W127 HydrophobicContact CG-CZ3 4.47Å; L60-W127 HydrophobicContact CB-CH2 3.83Å; L60-W127 HydrophobicContact CB-CZ2 4.17Å; L60-W127 HydrophobicContact CB-CZ3 4.38Å; L60-W127 HydrophobicContact CD1-CZ3 4.24Å; M61-W127 HydrophobicContact CG-CH2 3.73Å; M61-W127 HydrophobicContact CG-CZ2 3.82Å; H64-W127 AromaticContact CE1-CD1 3.93Å; H64-W127 AromaticContact CE1-CE2 3.82Å; H64-W127 AromaticContact CE1-NE1 3.36Å; H64-W127 PolarHBondContact CE1-NE1 3.28Å; H64-W127 AromaticContact ND1-CE2 3.72Å; H64-W127 AromaticContact ND1-CZ2 3.94Å; H64-W127 AromaticContact ND1-NE1 3.14Å; H64-W127 PolarHBondContact ND1-NE1 3.39Å; H64-W127 VanDerWaalsContact ND1-NE1 3.14Å; N123-W127 WeakPolarHBondContact O-CB 3.02Å; N123-W127 PolarHBondContact O-N 3.31Å; D124-W127 PolarHBondContact O-N 3.44Å; W127-F130 HydrophobicContact CE3-CB 4.16Å; W127-F130 AromaticContact CE3-CD1 3.87Å; W127-F130 HydrophobicContact CE3-CD1 3.87Å; W127-F130 HydrophobicContact CE3-CG 4.14Å; W127-F130 AromaticContact CZ3-CD1 3.83Å; W127-F130 HydrophobicContact CZ3-CD1 3.83Å; W127-F130 HydrophobicContact CZ3-CE1 4.27Å; W127-F130 HydrophobicContact CZ3-CG 4.09Å; W127-F130 PolarHBondContact O-N 3.4Å; W127-N131 VanDerWaalsContact O-CB 3.28Å; W127-N131 WeakPolarHBondContact O-CB 3.26Å; W127-N131 VanDerWaalsContact O-CG 3.23Å; W127-N131 PolarHBondContact O-N 2.87Å; W127-N131 PolarHBondContact O-ND2 2.89Å
128K94.6Very high92.9Very high133 Ų13373.2 Ų73.258%0.57834%0.341SS*.Hα-helixtrans-59.3-51.8175-177.4175.8178.7178.40111.3D124 R125 S126 F130 N131 E132D124-K128 VanDerWaalsContact O-CB 3.28Å; D124-K128 WeakPolarHBondContact O-CB 3.33Å; D124-K128 PolarHBondContact O-N 3.46Å; R125-K128 PolarHBondContact O-N 3.46Å; S126-K128 VanDerWaalsContact C-N 3.35Å; S126-K128 PolarHBondContact O-N 3.23Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-F130 PolarHBondContact O-N 2.91Å; K128-N131 PolarHBondContact O-N 3Å; K128-E132 WeakPolarHBondContact CE-OE1 3.04Å; K128-E132 WeakPolarHBondContact CG-OE1 3.47Å; K128-E132 WeakPolarHBondContact O-CB 3.28Å; K128-E132 VanDerWaalsContact O-CG 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.31Å; K128-E132 PolarHBondContact O-N 3.29Å
129V93.3Very high92.4Very high26 Ų2679 Ų7916%0.15836%0.362CS..Hα-helixtrans-62.5-43.6179.7177.40000110.9I30 V31 L34 R125 S126 E132 R133I30-V129 HydrophobicContact CG2-CB 4.43Å; I30-V129 HydrophobicContact CG2-CG1 4.29Å; V31-V129 HydrophobicContact CG2-CG1 3.87Å; V31-V129 HydrophobicContact CG2-CG2 4.22Å; L34-V129 HydrophobicContact CD1-CG1 3.72Å; R125-V129 WeakPolarHBondContact O-CG2 3.28Å; R125-V129 PolarHBondContact O-N 3.21Å; R125-V129 VanDerWaalsContact O-N 3.13Å; S126-V129 PolarHBondContact O-N 3.35Å; V129-E132 PolarHBondContact O-N 3.13Å; V129-R133 PolarHBondContact O-N 3.02Å
130F92.6Very high91.7Very high0 Ų081 Ų810%038%0.375CS..Hα-helixtrans-56.1-53.9175177.2-95.2000111.3I30 C53 L56 Y57 L60 S126 W127 K128 E132 R133 C134 F138 P140I30-F130 HydrophobicContact CD1-CB 4.2Å; C53-F130 HydrophobicContact CB-CE2 4.42Å; C53-F130 VanDerWaalsContact O-CE2 3.25Å; C53-F130 WeakPolarHBondContact O-CE2 3.32Å; C53-F130 WeakPolarHBondContact O-CZ 3.44Å; L56-F130 HydrophobicContact CB-CE2 4.38Å; L56-F130 HydrophobicContact CD2-CD2 3.99Å; L56-F130 HydrophobicContact CD2-CE2 4.35Å; L56-F130 HydrophobicContact CG-CD2 4.21Å; L56-F130 HydrophobicContact CG-CE2 4.38Å; Y57-F130 HydrophobicContact CD2-CE1 4.02Å; Y57-F130 HydrophobicContact CD2-CZ 4.17Å; Y57-F130 HydrophobicContact CG-CZ 4.36Å; L60-F130 HydrophobicContact CD1-CB 4.36Å; L60-F130 HydrophobicContact CD1-CD2 4.13Å; L60-F130 HydrophobicContact CD1-CG 4.42Å; S126-F130 WeakPolarHBondContact O-CB 3.28Å; S126-F130 PolarHBondContact O-N 3.44Å; W127-F130 HydrophobicContact CE3-CB 4.16Å; W127-F130 AromaticContact CE3-CD1 3.87Å; W127-F130 HydrophobicContact CE3-CD1 3.87Å; W127-F130 HydrophobicContact CE3-CG 4.14Å; W127-F130 AromaticContact CZ3-CD1 3.83Å; W127-F130 HydrophobicContact CZ3-CD1 3.83Å; W127-F130 HydrophobicContact CZ3-CE1 4.27Å; W127-F130 HydrophobicContact CZ3-CG 4.09Å; W127-F130 PolarHBondContact O-N 3.4Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-F130 PolarHBondContact O-N 2.91Å; F130-E132 PolarHBondContact O-N 2.71Å; F130-R133 PolarHBondContact O-N 2.9Å; F130-C134 HydrophobicContact CD1-CB 4.48Å; F130-C134 HydrophobicContact CD2-CB 4.18Å; F130-C134 HydrophobicContact CE1-CB 4.1Å; F130-C134 HydrophobicContact CE2-CB 3.77Å; F130-C134 HydrophobicContact CZ-CB 3.71Å; F130-C134 VanDerWaalsContact O-CB 3.26Å; F130-C134 WeakPolarHBondContact O-CB 3.42Å; F130-C134 PolarHBondContact O-N 3.05Å; F130-F138 HydrophobicContact CZ-CD1 4.04Å; F130-P140 HydrophobicContact CE1-CG 4.34Å
131N91.8Very high91Very high75 Ų7579.3 Ų79.340%0.40138%0.375SS..Hα-helixtrans-63-40.6-177.3-74.7-38000112.1W127 K128 R133 R135W127-N131 VanDerWaalsContact O-CB 3.28Å; W127-N131 WeakPolarHBondContact O-CB 3.26Å; W127-N131 VanDerWaalsContact O-CG 3.23Å; W127-N131 PolarHBondContact O-N 2.87Å; W127-N131 PolarHBondContact O-ND2 2.89Å; K128-N131 PolarHBondContact O-N 3Å; N131-R133 VanDerWaalsContact C-N 3.29Å; N131-R133 PolarHBondContact O-N 2.95Å; N131-R135 WeakPolarHBondContact O-CB 3.28Å; N131-R135 VanDerWaalsContact O-CG 3.28Å; N131-R135 WeakPolarHBondContact O-CG 3.11Å; N131-R135 PolarHBondContact O-N 2.95Å; N131-R135 VanDerWaalsContact O-N 3.15Å
132E90.6Very high89.6Confident112 Ų11284.1 Ų84.152%0.52339%0.387SS..Hα-helixtrans-59.9-38.8177.6-75.9173.4-175.300112.4K128 V129 F130K128-E132 WeakPolarHBondContact CE-OE1 3.04Å; K128-E132 WeakPolarHBondContact CG-OE1 3.47Å; K128-E132 WeakPolarHBondContact O-CB 3.28Å; K128-E132 VanDerWaalsContact O-CG 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.31Å; K128-E132 PolarHBondContact O-N 3.29Å; V129-E132 PolarHBondContact O-N 3.13Å; F130-E132 PolarHBondContact O-N 2.71Å
133R88.2Confident87.7Confident107 Ų10789.2 Ų89.240%0.40441%0.413SS..Hα-helixtrans-92.7-34.6-176.3-62.1-57.2-171.41034.6114.3L34 N35 V129 F130 N131L34-R133 HydrophobicContact CB-CB 4.46Å; L34-R133 HydrophobicContact CB-CG 4.37Å; L34-R133 HydrophobicContact CD1-CB 4.11Å; L34-R133 HydrophobicContact CD1-CG 4.19Å; L34-R133 HydrophobicContact CD2-CB 4.11Å; L34-R133 HydrophobicContact CG-CB 4.48Å; N35-R133 VanDerWaalsContact OD1-CZ 3.3Å; N35-R133 PolarHBondContact OD1-NH1 3Å; N35-R133 PolarHBondContact OD1-NH2 3.17Å; V129-R133 PolarHBondContact O-N 3.02Å; F130-R133 PolarHBondContact O-N 2.9Å; N131-R133 VanDerWaalsContact C-N 3.29Å; N131-R133 PolarHBondContact O-N 2.95Å
134C89.6Confident84.9Confident0 Ų0100.5 Ų100.50%047%0.465CS..Hα-helixtrans-101.7-10.5-171.4-770000114.9L34 C53 F130 I136 H137 F138L34-C134 VanDerWaalsContact CD2-SG 3.53Å; C53-C134 HydrophobicContact CB-CB 3.6Å; C53-C134 WeakPolarHBondContact CB-SG 3.37Å; C53-C134 VanDerWaalsContact SG-CA 3.53Å; C53-C134 WeakPolarHBondContact SG-CB 3.42Å; C53-C134 CovalentContact SG-SG 2.04Å; C53-C134 PolarHBondContact SG-SG 3.41Å; F130-C134 HydrophobicContact CD1-CB 4.48Å; F130-C134 HydrophobicContact CD2-CB 4.18Å; F130-C134 HydrophobicContact CE1-CB 4.1Å; F130-C134 HydrophobicContact CE2-CB 3.77Å; F130-C134 HydrophobicContact CZ-CB 3.71Å; F130-C134 VanDerWaalsContact O-CB 3.26Å; F130-C134 WeakPolarHBondContact O-CB 3.42Å; F130-C134 PolarHBondContact O-N 3.05Å; C134-I136 PolarHBondContact O-N 2.84Å; C134-H137 PolarHBondContact O-N 3.36Å; C134-F138 PolarHBondContact O-N 3.15Å
135R89Confident84.4Confident180 Ų180100.4 Ų100.468%0.67946%0.461SS*.THydrogen-bonded Turntrans-52.4-30.8-174.760.6-178.2-172.6173.42116N131N131-R135 WeakPolarHBondContact O-CB 3.28Å; N131-R135 VanDerWaalsContact O-CG 3.28Å; N131-R135 WeakPolarHBondContact O-CG 3.11Å; N131-R135 PolarHBondContact O-N 2.95Å; N131-R135 VanDerWaalsContact O-N 3.15Å
136I86.5Confident83.8Confident133 Ų13396.5 Ų96.568%0.68245%0.451SS*.THydrogen-bonded Turntrans-87.5-19.1-18063.4173.2000112.6C134C134-I136 PolarHBondContact O-N 2.84Å
137H86Confident83.1Confident62 Ų62101.7 Ų101.729%0.28748%0.475SS..THydrogen-bonded Turntrans-100.4-32.9-174-61.8-60.1000112.3A49 S50 C53 C134A49-H137 HydrophobicContact CB-CB 4.21Å; A49-H137 WeakPolarHBondContact CB-ND1 3.3Å; S50-H137 WeakPolarHBondContact CA-O 3.44Å; S50-H137 VanDerWaalsContact CB-O 3.28Å; S50-H137 WeakPolarHBondContact CB-O 3.42Å; S50-H137 PolarHBondContact OG-O 2.93Å; C53-H137 HydrophobicContact CB-CB 4.42Å; C134-H137 PolarHBondContact O-N 3.36Å
138F87.6Confident82.4Confident31 Ų31104.2 Ų104.214%0.13649%0.489CS..  trans-145.5130.9-178.1-179.8-105.5000110.2C53 K54 Y57 F130 C134 P140C53-F138 HydrophobicContact CB-CB 3.67Å; K54-F138 HydrophobicContact CB-CD2 3.7Å; K54-F138 HydrophobicContact CB-CE2 3.65Å; K54-F138 HydrophobicContact CB-CG 4.3Å; K54-F138 HydrophobicContact CB-CZ 4.19Å; K54-F138 HydrophobicContact CD-CE2 4.04Å; K54-F138 HydrophobicContact CG-CD2 4.2Å; K54-F138 HydrophobicContact CG-CE2 3.61Å; K54-F138 HydrophobicContact CG-CZ 3.97Å; Y57-F138 AromaticContact CD1-CE1 3.8Å; Y57-F138 HydrophobicContact CD1-CE1 3.8Å; Y57-F138 HydrophobicContact CD1-CZ 4.16Å; Y57-F138 HydrophobicContact CD2-CE1 4.17Å; Y57-F138 HydrophobicContact CE1-CE1 4.4Å; Y57-F138 HydrophobicContact CG-CD1 4.46Å; Y57-F138 AromaticContact CG-CE1 3.66Å; Y57-F138 HydrophobicContact CG-CE1 3.66Å; Y57-F138 HydrophobicContact CG-CZ 4.45Å; F130-F138 HydrophobicContact CZ-CD1 4.04Å; C134-F138 PolarHBondContact O-N 3.15Å; F138-P140 HydrophobicContact CD1-CG 4.3Å; F138-P140 HydrophobicContact CE1-CB 4.31Å; F138-P140 HydrophobicContact CE1-CG 4.14Å
139K86.8Confident81.7Confident180 Ų180102.4 Ų102.478%0.78348%0.484SS*.  trans-104.3114.6169.3-71.8-174.8-179.2178.10107.7
140P81.9Confident80.9Confident46 Ų46107.5 Ų107.530%0.29951%0.506SS..PPolyproline II helixtrans-52.4144.8172.9-27.835.9000111.4Y57 F130 F138 K142Y57-P140 HydrophobicContact CD2-CB 4.22Å; Y57-P140 HydrophobicContact CD2-CG 4.02Å; Y57-P140 HydrophobicContact CE2-CB 3.59Å; Y57-P140 HydrophobicContact CE2-CG 3.79Å; F130-P140 HydrophobicContact CE1-CG 4.34Å; F138-P140 HydrophobicContact CD1-CG 4.3Å; F138-P140 HydrophobicContact CE1-CB 4.31Å; F138-P140 HydrophobicContact CE1-CG 4.14Å; P140-K142 PolarHBondContact O-N 3.31Å
141P81.8Confident80.1Confident84 Ų84115.2 Ų115.255%0.54554%0.542SS..PPolyproline II helixtrans-55.8139.5165.926-31.8000108.3Y57 N143Y57-P141 HydrophobicContact CE1-CG 4.42Å; P141-N143 PolarHBondContact O-N 2.85Å; P141-N143 VanDerWaalsContact O-N 3.17Å
142K68.4Low79.2Confident200 Ų200118.3 Ų118.387%0.8755%0.553SS**PPolyproline II helixtrans-62.3122.7171.7-68.1-177.7-179.7-179.90106.5P140 E144P140-K142 PolarHBondContact O-N 3.31Å; K142-E144 PolarHBondContact O-N 2.77Å; K142-E144 VanDerWaalsContact O-N 3.08Å
143N56.1Low78.2Confident136 Ų136118.8 Ų118.873%0.72756%0.555SS**  trans-57.6114.6168.2-64.2-10.1000106.6P141P141-N143 PolarHBondContact O-N 2.85Å; P141-N143 VanDerWaalsContact O-N 3.17Å
144E36.7Very low77.3Confident267 Ų267119.9 Ų119.9100%1.24857%0.569SS**  trans-70.60165.7-76.6-173.8139.500110.5K142K142-E144 PolarHBondContact O-N 2.77Å; K142-E144 VanDerWaalsContact O-N 3.08Å

Retrieved 144 of 144 residues in 32.3 ms (Link to these results)

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