A0A5K4FFK7_SCHMA Loading...

ORM1-like protein 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FFK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 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
1M87.2Confident90.3Very high220 Ų22087.2 Ų87.2100%1.08452%0.523SS*.  0154.80-67.4-177.6-76.300107.8
2Q89.4Confident90.6Very high165 Ų16582.7 Ų82.777%0.77150%0.497SS*.  trans-73.9146.7176.5-70174.6-33.400109.8T5Q2-T5 PolarHBondContact O-N 2.88Å; Q2-T5 PolarHBondContact O-OG1 3Å
3V88Confident90.8Very high29 Ų2976.4 Ų76.418%0.17646%0.459CS..THydrogen-bonded Turntrans-59140.1166.5177.10000107.8P12 Y72 E73 L75V3-P12 HydrophobicContact CG1-CG 3.73Å; V3-P12 HydrophobicContact CG2-CG 4.12Å; V3-Y72 HydrophobicContact CG2-CD2 3.71Å; V3-Y72 HydrophobicContact CG2-CE2 4.21Å; V3-Y72 HydrophobicContact CG2-CG 4.47Å; V3-E73 VanDerWaalsContact CG2-O 3.27Å; V3-E73 WeakPolarHBondContact CG2-O 3.17Å; V3-L75 HydrophobicContact CB-CG 4.42Å; V3-L75 HydrophobicContact CG1-CD1 4.25Å; V3-L75 HydrophobicContact CG1-CG 4.1Å
4G89.3Confident90.9Very high38 Ų3871 Ų7139%0.39243%0.427SS..THydrogen-bonded Turntrans95-12.3-174.400000115.6T7G4-T7 CarbonylContact C-O 3.58Å; G4-T7 WeakPolarHBondContact CA-O 3.36Å
5T91.9Very high91.1Very high93 Ų9372.1 Ų72.157%0.57143%0.425SS*.SBendtrans-70.2-37.2-177.9-54.60000113.1Q2Q2-T5 PolarHBondContact O-N 2.88Å; Q2-T5 PolarHBondContact O-OG1 3Å
6A91.9Very high91.1Very high100 Ų10073.3 Ų73.383%0.82642%0.421SS*.SBendtrans-126.7-3.8-17500000114.1
7T88.5Confident91.2Very high65 Ų6570.3 Ų70.340%0.39940%0.404SS..  trans-145.3147.7-179173.80000109.1G4 V9G4-T7 CarbonylContact C-O 3.58Å; G4-T7 WeakPolarHBondContact CA-O 3.36Å; T7-V9 VanDerWaalsContact C-N 3.3Å; T7-V9 HydrophobicContact CG2-CB 4.49Å; T7-V9 VanDerWaalsContact OG1-CG2 3.29Å; T7-V9 WeakPolarHBondContact OG1-CG2 3.29Å; T7-V9 PolarHBondContact OG1-N 3.31Å
8S90.7Very high91.4Very high117 Ų11770.4 Ų70.482%0.81840%0.403SS*.  trans-85.1-0.5174.455.90000113.6L10S8-L10 PolarHBondContact O-N 3.23Å
9V91.2Very high91.6Very high24 Ų2470.3 Ų70.315%0.14541%0.406CS..  trans-67.5120.6-180177.50000109.8T7 E15T7-V9 VanDerWaalsContact C-N 3.3Å; T7-V9 HydrophobicContact CG2-CB 4.49Å; T7-V9 VanDerWaalsContact OG1-CG2 3.29Å; T7-V9 WeakPolarHBondContact OG1-CG2 3.29Å; T7-V9 PolarHBondContact OG1-N 3.31Å; V9-E15 WeakPolarHBondContact CG2-OE1 3.34Å
10L92.3Very high91.8Very high98 Ų9877 Ų7751%0.51343%0.434SS..SBendtrans-70.6-37.3-175.9-60.5178.9000112.6S8 L75 D76S8-L10 PolarHBondContact O-N 3.23Å; L10-L75 HydrophobicContact CB-CB 4.36Å; L10-L75 HydrophobicContact CD2-CB 3.79Å; L10-L75 HydrophobicContact CD2-CD1 4.46Å; L10-L75 PolarHBondContact O-N 3.43Å; L10-D76 HydrophobicContact CB-CB 4.43Å
11N93.7Very high92Very high10 Ų1075.1 Ų75.15%0.05343%0.432CS..  trans-128.791.5176.6-179.610.3000110.5T13 S14 T74 S80 Q88N11-T13 PolarHBondContact O-N 3Å; N11-T13 WeakPolarHBondContact OD1-CB 3.34Å; N11-T13 PolarHBondContact OD1-N 3.01Å; N11-T13 PolarHBondContact OD1-OG1 3.26Å; N11-T13 VanDerWaalsContact OD1-OG1 3.08Å; N11-S14 PolarHBondContact O-N 3.46Å; N11-S14 PolarHBondContact O-OG 3.43Å; N11-T74 HydrophobicContact CB-CG2 4.19Å; N11-T74 WeakPolarHBondContact OD1-CG2 3.31Å; N11-S80 WeakPolarHBondContact ND2-CB 3.29Å; N11-S80 PolarHBondContact ND2-OG 3.23Å; N11-Q88 PolarHBondContact ND2-OE1 3.07Å
12P93.2Very high92.5Very high33 Ų3366.3 Ų66.321%0.21439%0.39CS..G310 helixtrans-57.5-10176.9-2530.6000115.4V3 S14 E15 Y16 Y72V3-P12 HydrophobicContact CG1-CG 3.73Å; V3-P12 HydrophobicContact CG2-CG 4.12Å; P12-S14 PolarHBondContact O-N 2.84Å; P12-E15 PolarHBondContact O-N 3.47Å; P12-Y16 PolarHBondContact O-N 2.95Å; P12-Y72 HydrophobicContact CB-CE2 4.06Å; P12-Y72 WeakPolarHBondContact CB-OH 3.45Å; P12-Y72 HydrophobicContact CG-CE2 4.07Å
13T93.3Very high92.9Very high1 Ų163.2 Ų63.21%0.00637%0.372CS..G310 helixtrans-69.6-25.8176.8-57.20000111N11 E15 Y16 S70 Y72 Q88 F89N11-T13 PolarHBondContact O-N 3Å; N11-T13 WeakPolarHBondContact OD1-CB 3.34Å; N11-T13 PolarHBondContact OD1-N 3.01Å; N11-T13 PolarHBondContact OD1-OG1 3.26Å; N11-T13 VanDerWaalsContact OD1-OG1 3.08Å; T13-E15 PolarHBondContact O-N 3.23Å; T13-Y16 HydrophobicContact CG2-CD1 4.49Å; T13-Y16 HydrophobicContact CG2-CE1 4.29Å; T13-Y16 VanDerWaalsContact O-CD1 3.28Å; T13-Y16 WeakPolarHBondContact O-CD1 3.35Å; T13-S70 PolarHBondContact OG1-OG 3.49Å; T13-Y72 VanDerWaalsContact CA-OH 3.31Å; T13-Y72 WeakPolarHBondContact CA-OH 3.47Å; T13-Y72 PolarHBondContact N-OH 2.9Å; T13-Y72 PolarHBondContact OG1-OH 3.34Å; T13-Q88 VanDerWaalsContact CG2-OE1 3.28Å; T13-F89 WeakPolarHBondContact O-CD1 3.4Å; T13-F89 WeakPolarHBondContact O-CE1 3.27Å
14S92.9Very high93.3Very high1 Ų166.4 Ų66.41%0.00739%0.391CS..G310 helixtrans-70.5-19.2179.863.90000113.4N11 P12 Q88 D90 D91N11-S14 PolarHBondContact O-N 3.46Å; N11-S14 PolarHBondContact O-OG 3.43Å; P12-S14 PolarHBondContact O-N 2.84Å; S14-Q88 WeakPolarHBondContact CA-O 3.36Å; S14-Q88 WeakPolarHBondContact CB-O 3.37Å; S14-D90 PolarHBondContact O-N 3.14Å; S14-D91 VanDerWaalsContact CB-OD1 3.28Å; S14-D91 WeakPolarHBondContact CB-OD1 3.44Å; S14-D91 PolarHBondContact OG-OD1 2.98Å; S14-D91 VanDerWaalsContact OG-OD1 3.04Å
15E92.8Very high93.7Very high87 Ų8768.6 Ų68.641%0.40740%0.397SS..THydrogen-bonded Turntrans-120-14.4-168.6-69179.2-16900115V9 P12 T13 L17 N18V9-E15 WeakPolarHBondContact CG2-OE1 3.34Å; P12-E15 PolarHBondContact O-N 3.47Å; T13-E15 PolarHBondContact O-N 3.23Å; E15-L17 PolarHBondContact O-N 3.07Å; E15-L17 VanDerWaalsContact O-N 3.08Å; E15-N18 WeakPolarHBondContact O-CA 3.34Å; E15-N18 VanDerWaalsContact O-CB 3.28Å; E15-N18 WeakPolarHBondContact O-CB 3.35Å; E15-N18 PolarHBondContact O-N 3.4Å
16Y91.7Very high94Very high91 Ų9165.7 Ų65.736%0.35738%0.375SS..G310 helixtrans-59-33.5-168.379.6-93000113.8P12 T13 N18 S19 F89P12-Y16 PolarHBondContact O-N 2.95Å; T13-Y16 HydrophobicContact CG2-CD1 4.49Å; T13-Y16 HydrophobicContact CG2-CE1 4.29Å; T13-Y16 VanDerWaalsContact O-CD1 3.28Å; T13-Y16 WeakPolarHBondContact O-CD1 3.35Å; Y16-N18 PolarHBondContact O-N 2.93Å; Y16-S19 VanDerWaalsContact O-CB 3.26Å; Y16-S19 WeakPolarHBondContact O-CB 3.13Å; Y16-S19 PolarHBondContact O-N 3Å; Y16-S19 PolarHBondContact O-OG 3.05Å; Y16-F89 AromaticContact CD1-CE1 3.85Å; Y16-F89 HydrophobicContact CD1-CE1 3.85Å; Y16-F89 AromaticContact CE1-CE1 3.34Å; Y16-F89 HydrophobicContact CE1-CE1 3.34Å; Y16-F89 AromaticContact CE1-CZ 3.64Å; Y16-F89 HydrophobicContact CE1-CZ 3.64Å; Y16-F89 AromaticContact CZ-CE1 3.88Å; Y16-F89 AromaticContact CZ-CZ 3.73Å
17L92.8Very high94.3Very high23 Ų2364 Ų6412%0.1235%0.352CS..G310 helixtrans-72.7-13.6176.7-70.6-172.2000114.4E15 S19 T22 F89 T98 L102E15-L17 PolarHBondContact O-N 3.07Å; E15-L17 VanDerWaalsContact O-N 3.08Å; L17-S19 VanDerWaalsContact C-N 3.28Å; L17-T22 HydrophobicContact CB-CG2 4.46Å; L17-T22 HydrophobicContact CD2-CG2 3.6Å; L17-F89 HydrophobicContact CB-CE1 4.27Å; L17-F89 HydrophobicContact CB-CZ 4.37Å; L17-F89 HydrophobicContact CD1-CD2 4.25Å; L17-F89 HydrophobicContact CD1-CE1 3.87Å; L17-F89 HydrophobicContact CD1-CE2 3.34Å; L17-F89 HydrophobicContact CD1-CZ 3.14Å; L17-F89 HydrophobicContact CG-CE1 3.88Å; L17-F89 HydrophobicContact CG-CE2 4.26Å; L17-F89 HydrophobicContact CG-CZ 3.6Å; L17-T98 HydrophobicContact CB-CG2 3.85Å; L17-L102 HydrophobicContact CD1-CD1 3.68Å
18N94.3Very high94.8Very high73 Ų7365.5 Ų65.539%0.3936%0.357SS..G310 helixtrans-83.3-5.6172.5-63.7-29.6000112.7E15 Y16 D90 T98E15-N18 WeakPolarHBondContact O-CA 3.34Å; E15-N18 VanDerWaalsContact O-CB 3.28Å; E15-N18 WeakPolarHBondContact O-CB 3.35Å; E15-N18 PolarHBondContact O-N 3.4Å; Y16-N18 PolarHBondContact O-N 2.93Å; N18-D90 PolarHBondContact ND2-OD1 3.21Å; N18-T98 VanDerWaalsContact OD1-CB 3.3Å; N18-T98 WeakPolarHBondContact OD1-CB 3.33Å; N18-T98 PolarHBondContact OD1-OG1 3.1Å
19S95.3Very high95.2Very high67 Ų6763.8 Ų63.847%0.46934%0.342SS..SBendtrans-60147.7178.3-55.50000112.1Y16 L17 G21 T22Y16-S19 VanDerWaalsContact O-CB 3.26Å; Y16-S19 WeakPolarHBondContact O-CB 3.13Å; Y16-S19 PolarHBondContact O-N 3Å; Y16-S19 PolarHBondContact O-OG 3.05Å; L17-S19 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 3.06Å; S19-T22 WeakPolarHBondContact O-CB 3.23Å; S19-T22 PolarHBondContact O-N 2.77Å; S19-T22 PolarHBondContact O-OG1 3.03Å
20Q96Very high95.5Very high205 Ų20563.8 Ų63.896%0.95834%0.34SS*.THydrogen-bonded Turntrans-59.4131178.5-174.2178.8-3.500111.1T22Q20-T22 VanDerWaalsContact C-N 3.32Å; Q20-T22 PolarHBondContact O-N 2.96Å
21G96.9Very high95.8Very high38 Ų3862.9 Ų62.939%0.39234%0.335SS..THydrogen-bonded Turntrans88.4-14.2178.500000114.7S19 W23 V24 T25S19-G21 PolarHBondContact O-N 3.06Å; G21-W23 VanDerWaalsContact C-N 3.33Å; G21-W23 PolarHBondContact O-N 3.36Å; G21-V24 PolarHBondContact O-N 3.11Å; G21-V24 VanDerWaalsContact O-N 3.09Å; G21-T25 PolarHBondContact O-N 2.75Å; G21-T25 PolarHBondContact O-OG1 3.38Å
22T96.7Very high96Very high34 Ų3466.3 Ų66.321%0.20936%0.357CS..Hα-helixtrans-56.3-44.1-176.3-60.50000113.1L17 S19 Q20 V24 T25 Y26L17-T22 HydrophobicContact CB-CG2 4.46Å; L17-T22 HydrophobicContact CD2-CG2 3.6Å; S19-T22 WeakPolarHBondContact O-CB 3.23Å; S19-T22 PolarHBondContact O-N 2.77Å; S19-T22 PolarHBondContact O-OG1 3.03Å; Q20-T22 VanDerWaalsContact C-N 3.32Å; Q20-T22 PolarHBondContact O-N 2.96Å; T22-V24 VanDerWaalsContact C-N 3.35Å; T22-V24 PolarHBondContact O-N 3.43Å; T22-T25 PolarHBondContact O-N 2.96Å; T22-Y26 WeakPolarHBondContact O-CB 3.44Å; T22-Y26 PolarHBondContact O-N 2.9Å
23W97.1Very high96.3Very high101 Ų10167 Ų6738%0.38336%0.36SS..Hα-helixtrans-64.1-40.7179.9-63.48.2000111.9G21 Y26 I27 P97 T98 F101G21-W23 VanDerWaalsContact C-N 3.33Å; G21-W23 PolarHBondContact O-N 3.36Å; W23-Y26 PolarHBondContact O-N 3.38Å; W23-I27 WeakPolarHBondContact O-CG1 3.41Å; W23-I27 PolarHBondContact O-N 3.24Å; W23-I27 VanDerWaalsContact O-N 3.16Å; W23-P97 HydrophobicContact CH2-CB 3.91Å; W23-P97 HydrophobicContact CZ2-CB 4.15Å; W23-T98 WeakPolarHBondContact CZ2-OG1 3.26Å; W23-T98 PolarHBondContact NE1-OG1 3.26Å; W23-F101 HydrophobicContact CB-CD1 4.32Å; W23-F101 HydrophobicContact CB-CE1 3.68Å; W23-F101 HydrophobicContact CB-CE2 4.31Å; W23-F101 HydrophobicContact CB-CZ 3.69Å; W23-F101 AromaticContact CD1-CD1 3.84Å; W23-F101 AromaticContact CD1-CE1 3.84Å; W23-F101 HydrophobicContact CD2-CB 4.41Å; W23-F101 AromaticContact CD2-CD1 3.87Å; W23-F101 HydrophobicContact CD2-CD1 3.87Å; W23-F101 HydrophobicContact CD2-CD2 4.32Å; W23-F101 HydrophobicContact CD2-CE1 4.15Å; W23-F101 AromaticContact CD2-CG 3.95Å; W23-F101 HydrophobicContact CD2-CG 3.95Å; W23-F101 HydrophobicContact CE3-CB 4.49Å; W23-F101 HydrophobicContact CE3-CD1 4.49Å; W23-F101 HydrophobicContact CE3-CD2 4.15Å; W23-F101 HydrophobicContact CE3-CG 4.13Å; W23-F101 AromaticContact CG-CD1 3.76Å; W23-F101 HydrophobicContact CG-CD1 3.76Å; W23-F101 AromaticContact CG-CE1 3.6Å; W23-F101 HydrophobicContact CG-CE1 3.6Å; W23-F101 HydrophobicContact CG-CG 4.28Å; W23-F101 HydrophobicContact CG-CZ 4.04Å; W23-F101 HydrophobicContact CH2-CB 4.37Å; W23-F101 HydrophobicContact CZ2-CB 4.28Å; W23-F101 HydrophobicContact CZ3-CB 4.47Å
24V97.8Very high96.5Very high95 Ų9567.7 Ų67.758%0.57636%0.363SS*.Hα-helixtrans-66.9-47.3177.6177.80000110.2G21 T22 Y26 I27 L28G21-V24 PolarHBondContact O-N 3.11Å; G21-V24 VanDerWaalsContact O-N 3.09Å; T22-V24 VanDerWaalsContact C-N 3.35Å; T22-V24 PolarHBondContact O-N 3.43Å; V24-Y26 VanDerWaalsContact C-N 3.28Å; V24-Y26 PolarHBondContact O-N 2.66Å; V24-I27 PolarHBondContact O-N 2.92Å; V24-L28 HydrophobicContact CG1-CD1 4.05Å; V24-L28 HydrophobicContact CG1-CG 4.39Å; V24-L28 WeakPolarHBondContact O-CG 3.44Å; V24-L28 PolarHBondContact O-N 3.31Å
25T98Very high96.8Very high84 Ų8473.6 Ų73.652%0.51539%0.389SS..Hα-helixtrans-57.4-42.6176.6-59.10000111.4G21 T22 L28 V29G21-T25 PolarHBondContact O-N 2.75Å; G21-T25 PolarHBondContact O-OG1 3.38Å; T22-T25 PolarHBondContact O-N 2.96Å; T25-L28 PolarHBondContact O-N 3.02Å; T25-V29 HydrophobicContact CG2-CG2 4.45Å; T25-V29 WeakPolarHBondContact O-CG2 3.29Å; T25-V29 PolarHBondContact O-N 3.48Å
26Y97.9Very high97Very high32 Ų3274.5 Ų74.513%0.12540%0.396CS..Hα-helixtrans-60.7-47.3177.4171.5-134000112.5T22 W23 V24 L28 V29 I30 H56 M60 F101 L102 V105T22-Y26 WeakPolarHBondContact O-CB 3.44Å; T22-Y26 PolarHBondContact O-N 2.9Å; W23-Y26 PolarHBondContact O-N 3.38Å; V24-Y26 VanDerWaalsContact C-N 3.28Å; V24-Y26 PolarHBondContact O-N 2.66Å; Y26-L28 VanDerWaalsContact C-N 3.33Å; Y26-L28 PolarHBondContact O-N 3.06Å; Y26-V29 PolarHBondContact O-N 3.49Å; Y26-I30 HydrophobicContact CD2-CD1 4.15Å; Y26-I30 HydrophobicContact CD2-CG1 4.33Å; Y26-I30 HydrophobicContact CE1-CD1 4.32Å; Y26-I30 HydrophobicContact CE2-CD1 3.69Å; Y26-I30 HydrophobicContact CE2-CG1 4.07Å; Y26-I30 WeakPolarHBondContact O-CG1 3.36Å; Y26-I30 PolarHBondContact O-N 2.88Å; Y26-I30 VanDerWaalsContact O-N 3.11Å; Y26-H56 AromaticContact CE2-NE2 3.63Å; Y26-H56 AromaticContact CZ-NE2 3.45Å; Y26-H56 PolarHBondContact OH-CE1 3.01Å; Y26-H56 VanDerWaalsContact OH-CE1 3.24Å; Y26-H56 PolarHBondContact OH-NE2 3.12Å; Y26-M60 HydrophobicContact CE2-CE 4.16Å; Y26-M60 HydrophobicContact CE2-SD 3.85Å; Y26-F101 AromaticContact CD1-CE1 3.5Å; Y26-F101 HydrophobicContact CD1-CE1 3.5Å; Y26-F101 AromaticContact CD1-CZ 3.74Å; Y26-F101 HydrophobicContact CD1-CZ 3.74Å; Y26-F101 AromaticContact CE1-CE1 3.99Å; Y26-F101 HydrophobicContact CE1-CE1 3.99Å; Y26-F101 HydrophobicContact CE1-CZ 4.28Å; Y26-L102 HydrophobicContact CD1-CD2 4.39Å; Y26-L102 HydrophobicContact CE1-CD2 3.87Å; Y26-V105 HydrophobicContact CD1-CG2 4.5Å; Y26-V105 HydrophobicContact CE1-CB 3.98Å; Y26-V105 HydrophobicContact CE1-CG1 3.75Å; Y26-V105 HydrophobicContact CE1-CG2 3.87Å
27I98.3Very high97.4Very high66 Ų6671.8 Ų71.834%0.33839%0.387SS..Hα-helixtrans-61.4-42.6175.3-62.5-59.1000111.1W23 V24 V29 I30 L31 F101 V105W23-I27 WeakPolarHBondContact O-CG1 3.41Å; W23-I27 PolarHBondContact O-N 3.24Å; W23-I27 VanDerWaalsContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 2.92Å; I27-V29 VanDerWaalsContact C-N 3.33Å; I27-V29 PolarHBondContact O-N 3.21Å; I27-I30 PolarHBondContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 4.21Å; I27-L31 HydrophobicContact CG2-CG 4.45Å; I27-L31 WeakPolarHBondContact O-CG 3.32Å; I27-L31 PolarHBondContact O-N 2.91Å; I27-F101 HydrophobicContact CD1-CE2 4.34Å; I27-F101 HydrophobicContact CD1-CZ 4.1Å; I27-F101 HydrophobicContact CG1-CZ 4.13Å; I27-V105 HydrophobicContact CD1-CG1 4.37Å; I27-V105 HydrophobicContact CD1-CG2 3.95Å
28L98.3Very high97.6Very high96 Ų9674.3 Ų74.350%0.50340%0.4SS..Hα-helixtrans-61-40.6176.7-71173.6000112.3V24 T25 Y26 I30 L31 V32V24-L28 HydrophobicContact CG1-CD1 4.05Å; V24-L28 HydrophobicContact CG1-CG 4.39Å; V24-L28 WeakPolarHBondContact O-CG 3.44Å; V24-L28 PolarHBondContact O-N 3.31Å; T25-L28 PolarHBondContact O-N 3.02Å; Y26-L28 VanDerWaalsContact C-N 3.33Å; Y26-L28 PolarHBondContact O-N 3.06Å; L28-I30 PolarHBondContact O-N 3.47Å; L28-L31 PolarHBondContact O-N 3.33Å; L28-V32 WeakPolarHBondContact O-CB 3.31Å; L28-V32 VanDerWaalsContact O-CG2 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.15Å; L28-V32 PolarHBondContact O-N 2.79Å
29V98.3Very high97.8Very high81 Ų8175.9 Ų75.949%0.49142%0.416SS..Hα-helixtrans-61.6-43.9175.9169.50000110.9T25 Y26 I27 L31 V32 V33T25-V29 HydrophobicContact CG2-CG2 4.45Å; T25-V29 WeakPolarHBondContact O-CG2 3.29Å; T25-V29 PolarHBondContact O-N 3.48Å; Y26-V29 PolarHBondContact O-N 3.49Å; I27-V29 VanDerWaalsContact C-N 3.33Å; I27-V29 PolarHBondContact O-N 3.21Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 3.48Å; V29-V32 PolarHBondContact O-N 2.86Å; V29-V33 WeakPolarHBondContact O-CG2 3.41Å; V29-V33 PolarHBondContact O-N 3.37Å
30I98.6Very high97.9Very high24 Ų2475.4 Ų75.412%0.12341%0.41CS..Hα-helixtrans-58.7-47175.3-64.5171.3000110.5Y26 I27 L28 V33 H34 T52 V105Y26-I30 HydrophobicContact CD2-CD1 4.15Å; Y26-I30 HydrophobicContact CD2-CG1 4.33Å; Y26-I30 HydrophobicContact CE1-CD1 4.32Å; Y26-I30 HydrophobicContact CE2-CD1 3.69Å; Y26-I30 HydrophobicContact CE2-CG1 4.07Å; Y26-I30 WeakPolarHBondContact O-CG1 3.36Å; Y26-I30 PolarHBondContact O-N 2.88Å; Y26-I30 VanDerWaalsContact O-N 3.11Å; I27-I30 PolarHBondContact O-N 3.07Å; L28-I30 PolarHBondContact O-N 3.47Å; I30-V33 PolarHBondContact O-N 3.38Å; I30-H34 WeakPolarHBondContact O-CB 3.43Å; I30-H34 PolarHBondContact O-N 3.49Å; I30-T52 HydrophobicContact CG2-CG2 4.48Å; I30-V105 HydrophobicContact CD1-CG1 3.58Å
31L98.4Very high97.9Very high78 Ų7871.7 Ų71.741%0.40840%0.404SS..Hα-helixtrans-63.3-44.7179.6-67.5176.3000112I27 L28 V29 V33 H34 F35I27-L31 HydrophobicContact CG2-CD1 4.21Å; I27-L31 HydrophobicContact CG2-CG 4.45Å; I27-L31 WeakPolarHBondContact O-CG 3.32Å; I27-L31 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.33Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 3.48Å; L31-V33 PolarHBondContact O-N 3.15Å; L31-H34 WeakPolarHBondContact O-CB 3.34Å; L31-H34 PolarHBondContact O-N 3.38Å; L31-F35 HydrophobicContact CB-CD2 4.44Å; L31-F35 HydrophobicContact CB-CE2 4.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.45Å; L31-F35 PolarHBondContact O-N 3.43Å
32V98.5Very high97.9Very high83 Ų8377.6 Ų77.650%0.50343%0.426SS..Hα-helixtrans-60.2-47177.3168.10000110.7L28 V29 H34 F35 I36L28-V32 WeakPolarHBondContact O-CB 3.31Å; L28-V32 VanDerWaalsContact O-CG2 3.3Å; L28-V32 WeakPolarHBondContact O-CG2 3.15Å; L28-V32 PolarHBondContact O-N 2.79Å; V29-V32 PolarHBondContact O-N 2.86Å; V32-H34 VanDerWaalsContact C-N 3.32Å; V32-H34 PolarHBondContact O-N 3.21Å; V32-F35 PolarHBondContact O-N 2.96Å; V32-I36 HydrophobicContact CG1-CD1 3.85Å; V32-I36 HydrophobicContact CG1-CG1 4.45Å; V32-I36 VanDerWaalsContact O-CG1 3.27Å; V32-I36 WeakPolarHBondContact O-CG1 3.28Å; V32-I36 PolarHBondContact O-N 3.2Å
33V98.1Very high98Very high46 Ų4678.8 Ų78.828%0.27943%0.43SS..Hα-helixtrans-60.7-43.4176.4172.30000110.9V29 I30 L31 F35 I36 L37 F55V29-V33 WeakPolarHBondContact O-CG2 3.41Å; V29-V33 PolarHBondContact O-N 3.37Å; I30-V33 PolarHBondContact O-N 3.38Å; L31-V33 PolarHBondContact O-N 3.15Å; V33-F35 PolarHBondContact O-N 3.09Å; V33-I36 PolarHBondContact O-N 3.21Å; V33-L37 HydrophobicContact CG1-CD1 4.3Å; V33-L37 WeakPolarHBondContact O-CG 3.24Å; V33-L37 PolarHBondContact O-N 3.03Å; V33-F55 HydrophobicContact CG1-CD1 4.22Å; V33-F55 HydrophobicContact CG1-CE1 4.42Å
34H98.5Very high98Very high17 Ų1777 Ų778%0.07943%0.434CS..Hα-helixtrans-60.5-45.4176.7-175.772.1000112.2I30 L31 V32 L37 L38 W49 T52I30-H34 WeakPolarHBondContact O-CB 3.43Å; I30-H34 PolarHBondContact O-N 3.49Å; L31-H34 WeakPolarHBondContact O-CB 3.34Å; L31-H34 PolarHBondContact O-N 3.38Å; V32-H34 VanDerWaalsContact C-N 3.32Å; V32-H34 PolarHBondContact O-N 3.21Å; H34-L37 WeakPolarHBondContact O-CB 3.4Å; H34-L37 PolarHBondContact O-N 3.33Å; H34-L38 PolarHBondContact O-N 2.97Å; H34-W49 AromaticContact CE1-CD2 3.6Å; H34-W49 AromaticContact CE1-CE2 3.45Å; H34-W49 VanDerWaalsContact CE1-CE2 3.45Å; H34-W49 AromaticContact CE1-CE3 3.97Å; H34-W49 AromaticContact CE1-CZ2 3.74Å; H34-W49 AromaticContact CE1-NE1 3.8Å; H34-W49 AromaticContact NE2-CE2 3.72Å; H34-W49 AromaticContact NE2-CZ2 3.63Å; H34-T52 HydrophobicContact CB-CG2 3.97Å; H34-T52 PolarHBondContact ND1-OG1 3.04Å
35F98.2Very high98Very high124 Ų12476.1 Ų76.154%0.54443%0.428SS..Hα-helixtrans-65.4-38.6176.8-75.1-59.6000112.6L31 V32 V33 L37 L38 C39L31-F35 HydrophobicContact CB-CD2 4.44Å; L31-F35 HydrophobicContact CB-CE2 4.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.45Å; L31-F35 PolarHBondContact O-N 3.43Å; V32-F35 PolarHBondContact O-N 2.96Å; V33-F35 PolarHBondContact O-N 3.09Å; F35-L37 VanDerWaalsContact C-N 3.3Å; F35-L37 PolarHBondContact O-N 3.37Å; F35-L38 HydrophobicContact CD1-CD1 4Å; F35-L38 HydrophobicContact CE1-CD1 4.38Å; F35-L38 PolarHBondContact O-N 2.97Å; F35-C39 PolarHBondContact O-N 3.48Å; F35-C39 VanDerWaalsContact O-N 3.09Å; F35-C39 PolarHBondContact O-SG 2.96Å
36I98.3Very high98Very high107 Ų10773.3 Ų73.355%0.54941%0.413SS..Hα-helixtrans-59.8-43173.1-69.2168.7000110.5V32 V33 C39V32-I36 HydrophobicContact CG1-CD1 3.85Å; V32-I36 HydrophobicContact CG1-CG1 4.45Å; V32-I36 VanDerWaalsContact O-CG1 3.27Å; V32-I36 WeakPolarHBondContact O-CG1 3.28Å; V32-I36 PolarHBondContact O-N 3.2Å; V33-I36 PolarHBondContact O-N 3.21Å; I36-C39 WeakPolarHBondContact O-CB 3.4Å; I36-C39 PolarHBondContact O-N 2.98Å
37L98.3Very high98Very high34 Ų3474.1 Ų74.118%0.17842%0.422CS..Hα-helixtrans-64.9-39176.6-70.1171.4000112.2V33 H34 F35 C39 V40 V48 L51V33-L37 HydrophobicContact CG1-CD1 4.3Å; V33-L37 WeakPolarHBondContact O-CG 3.24Å; V33-L37 PolarHBondContact O-N 3.03Å; H34-L37 WeakPolarHBondContact O-CB 3.4Å; H34-L37 PolarHBondContact O-N 3.33Å; F35-L37 VanDerWaalsContact C-N 3.3Å; F35-L37 PolarHBondContact O-N 3.37Å; L37-C39 PolarHBondContact O-N 2.92Å; L37-V40 WeakPolarHBondContact O-CB 3.49Å; L37-V40 PolarHBondContact O-N 3.34Å; L37-V40 VanDerWaalsContact O-N 3.13Å; L37-V48 HydrophobicContact CB-CG1 3.68Å; L37-V48 HydrophobicContact CB-CG2 4.41Å; L37-L51 HydrophobicContact CD1-CB 4.05Å; L37-L51 HydrophobicContact CD2-CD1 4.48Å
38L98.2Very high98Very high75 Ų7571.1 Ų71.139%0.39341%0.406SS..Hα-helixtrans-62.7-27.6174.1-75173.3000112.9H34 F35 V40 V48H34-L38 PolarHBondContact O-N 2.97Å; F35-L38 HydrophobicContact CD1-CD1 4Å; F35-L38 HydrophobicContact CE1-CD1 4.38Å; F35-L38 PolarHBondContact O-N 2.97Å; L38-V40 PolarHBondContact O-N 3.31Å; L38-V48 HydrophobicContact CD2-CB 4.25Å; L38-V48 HydrophobicContact CD2-CG1 3.8Å; L38-V48 HydrophobicContact CD2-CG2 4.36Å; L38-V48 HydrophobicContact CG-CG1 3.9Å
39C97.9Very high98Very high107 Ų10767.9 Ų67.972%0.72339%0.387SS*.THydrogen-bonded Turntrans-73.7-6175.8-67.30000113.9F35 I36 L37 P41F35-C39 PolarHBondContact O-N 3.48Å; F35-C39 VanDerWaalsContact O-N 3.09Å; F35-C39 PolarHBondContact O-SG 2.96Å; I36-C39 WeakPolarHBondContact O-CB 3.4Å; I36-C39 PolarHBondContact O-N 2.98Å; L37-C39 PolarHBondContact O-N 2.92Å; C39-P41 WeakPolarHBondContact O-CD 3.44Å
40V97.9Very high98.1Very high56 Ų5664.6 Ų64.634%0.33937%0.368SS..  trans-85.2111.7179.3-175.80000109.8L37 L38 L42 L43L37-V40 WeakPolarHBondContact O-CB 3.49Å; L37-V40 PolarHBondContact O-N 3.34Å; L37-V40 VanDerWaalsContact O-N 3.13Å; L38-V40 PolarHBondContact O-N 3.31Å; V40-L42 PolarHBondContact O-N 2.94Å; V40-L42 VanDerWaalsContact O-N 3.07Å; V40-L43 HydrophobicContact CB-CD1 3.8Å; V40-L43 HydrophobicContact CB-CG 3.99Å; V40-L43 HydrophobicContact CG1-CD1 3.95Å; V40-L43 HydrophobicContact CG1-CG 3.8Å; V40-L43 HydrophobicContact CG2-CD1 4.27Å; V40-L43 PolarHBondContact O-N 3.41Å
41P96.5Very high98.1Very high128 Ų12866.5 Ų66.583%0.83138%0.378SS*.THydrogen-bonded Turntrans-68.3-15.1-169.126.7-35.8000114.8C39C39-P41 WeakPolarHBondContact O-CD 3.44Å
42L96.7Very high98.1Very high162 Ų16263 Ų6385%0.84836%0.359SS*.THydrogen-bonded Turntrans-89.7-6.6-178-60.4174000113.3V40V40-L42 PolarHBondContact O-N 2.94Å; V40-L42 VanDerWaalsContact O-N 3.07Å
43L97.5Very high98.1Very high58 Ų5859 Ų5930%0.30434%0.336SS..  trans-102.7131.8-175.5-56.8-178.7000110.7V40 V47 V48 L51V40-L43 HydrophobicContact CB-CD1 3.8Å; V40-L43 HydrophobicContact CB-CG 3.99Å; V40-L43 HydrophobicContact CG1-CD1 3.95Å; V40-L43 HydrophobicContact CG1-CG 3.8Å; V40-L43 HydrophobicContact CG2-CD1 4.27Å; V40-L43 PolarHBondContact O-N 3.41Å; L43-V47 HydrophobicContact CD2-CG1 3.96Å; L43-V48 HydrophobicContact CB-CG2 3.66Å; L43-V48 HydrophobicContact CD1-CG2 4.15Å; L43-L51 HydrophobicContact CD1-CD1 3.71Å; L43-L51 HydrophobicContact CD2-CD1 4.32Å
44S97.6Very high98.1Very high65 Ų6558 Ų5846%0.45533%0.329SS..  trans-74.3156.9167.5710000110.6A46 V47 V48S44-A46 VanDerWaalsContact C-N 3.25Å; S44-A46 PolarHBondContact O-N 3.21Å; S44-V47 PolarHBondContact O-N 3.34Å; S44-V47 WeakPolarHBondContact OG-CG2 3.39Å; S44-V47 PolarHBondContact OG-N 2.91Å; S44-V48 WeakPolarHBondContact O-CG2 3.47Å; S44-V48 PolarHBondContact O-N 3.06Å
45T97.8Very high98.1Very high76 Ų7662.4 Ų62.447%0.46635%0.348SS..Hα-helixtrans-54.1-41.5177.3-52.50000112.4V47 V48 W49 Y116T45-V47 PolarHBondContact O-N 3.5Å; T45-V48 PolarHBondContact O-N 3.32Å; T45-W49 VanDerWaalsContact O-CD1 3.26Å; T45-W49 PolarHBondContact O-N 3.45Å; T45-Y116 HydrophobicContact CG2-CD1 4.41Å
46A98.2Very high98.1Very high24 Ų2457.4 Ų57.420%0.19833%0.326CS..Hα-helixtrans-60.9-43.717700000112.5S44 W49 T50 T117S44-A46 VanDerWaalsContact C-N 3.25Å; S44-A46 PolarHBondContact O-N 3.21Å; A46-W49 PolarHBondContact O-N 3.48Å; A46-T50 PolarHBondContact O-N 2.74Å; A46-T50 VanDerWaalsContact O-N 3.12Å; A46-T50 PolarHBondContact O-OG1 3.25Å; A46-T117 HydrophobicContact CB-CG2 3.97Å; A46-T117 WeakPolarHBondContact O-CG2 3.46Å
47V98.3Very high98.1Very high50 Ų5052.3 Ų52.330%0.30330%0.3SS..Hα-helixtrans-65.7-41.7175.8173.30000110.6L43 S44 T45 W49 T50 L51L43-V47 HydrophobicContact CD2-CG1 3.96Å; S44-V47 PolarHBondContact O-N 3.34Å; S44-V47 WeakPolarHBondContact OG-CG2 3.39Å; S44-V47 PolarHBondContact OG-N 2.91Å; T45-V47 PolarHBondContact O-N 3.5Å; V47-W49 PolarHBondContact O-N 2.94Å; V47-T50 PolarHBondContact O-N 2.82Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.16Å; V47-L51 WeakPolarHBondContact O-CB 3.4Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.35Å
48V98.6Very high98.1Very high2 Ų255.3 Ų55.31%0.01232%0.316CS..Hα-helixtrans-59.8-45.7177.4170.50000111.9L37 L38 L43 S44 T45 T50 L51 T52L37-V48 HydrophobicContact CB-CG1 3.68Å; L37-V48 HydrophobicContact CB-CG2 4.41Å; L38-V48 HydrophobicContact CD2-CB 4.25Å; L38-V48 HydrophobicContact CD2-CG1 3.8Å; L38-V48 HydrophobicContact CD2-CG2 4.36Å; L38-V48 HydrophobicContact CG-CG1 3.9Å; L43-V48 HydrophobicContact CB-CG2 3.66Å; L43-V48 HydrophobicContact CD1-CG2 4.15Å; S44-V48 WeakPolarHBondContact O-CG2 3.47Å; S44-V48 PolarHBondContact O-N 3.06Å; T45-V48 PolarHBondContact O-N 3.32Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 3.47Å; V48-L51 PolarHBondContact O-N 3.01Å; V48-T52 WeakPolarHBondContact O-CB 3.36Å; V48-T52 PolarHBondContact O-N 3.46Å; V48-T52 PolarHBondContact O-OG1 3.38Å
49W98.7Very high98.1Very high28 Ų2854.3 Ų54.311%0.10631%0.312CS..Hα-helixtrans-63.4-40.1176.7-84.3102.7000112.7H34 T45 A46 V47 T52 C53 L109 L112 A113 Y116H34-W49 AromaticContact CE1-CD2 3.6Å; H34-W49 AromaticContact CE1-CE2 3.45Å; H34-W49 VanDerWaalsContact CE1-CE2 3.45Å; H34-W49 AromaticContact CE1-CE3 3.97Å; H34-W49 AromaticContact CE1-CZ2 3.74Å; H34-W49 AromaticContact CE1-NE1 3.8Å; H34-W49 AromaticContact NE2-CE2 3.72Å; H34-W49 AromaticContact NE2-CZ2 3.63Å; T45-W49 VanDerWaalsContact O-CD1 3.26Å; T45-W49 PolarHBondContact O-N 3.45Å; A46-W49 PolarHBondContact O-N 3.48Å; V47-W49 PolarHBondContact O-N 2.94Å; W49-T52 PolarHBondContact O-N 3.37Å; W49-C53 WeakPolarHBondContact O-CB 3.47Å; W49-C53 PolarHBondContact O-N 2.83Å; W49-L109 HydrophobicContact CE3-CD1 4.48Å; W49-L109 HydrophobicContact CZ3-CD1 4.14Å; W49-L112 HydrophobicContact CE3-CB 4.12Å; W49-L112 HydrophobicContact CH2-CB 3.96Å; W49-L112 HydrophobicContact CH2-CD1 4.14Å; W49-L112 HydrophobicContact CZ3-CB 3.54Å; W49-L112 HydrophobicContact CZ3-CD1 4.08Å; W49-L112 HydrophobicContact CZ3-CG 4.41Å; W49-A113 HydrophobicContact CB-CB 4.14Å; W49-A113 HydrophobicContact CE3-CB 4.43Å; W49-Y116 AromaticContact CD1-CG 3.61Å; W49-Y116 AromaticContact CD2-CD2 4Å; W49-Y116 HydrophobicContact CD2-CD2 4Å; W49-Y116 HydrophobicContact CD2-CG 4.21Å; W49-Y116 AromaticContact CE2-CD2 3.34Å; W49-Y116 AromaticContact CE2-CE2 3.81Å; W49-Y116 AromaticContact CE2-CG 3.59Å; W49-Y116 HydrophobicContact CG-CD2 4.47Å; W49-Y116 HydrophobicContact CG-CG 4.21Å; W49-Y116 HydrophobicContact CH2-CD2 4.21Å; W49-Y116 HydrophobicContact CH2-CE2 4.19Å; W49-Y116 AromaticContact CZ2-CD2 3.46Å; W49-Y116 HydrophobicContact CZ2-CD2 3.46Å; W49-Y116 VanDerWaalsContact CZ2-CD2 3.46Å; W49-Y116 AromaticContact CZ2-CE2 3.45Å; W49-Y116 HydrophobicContact CZ2-CE2 3.45Å; W49-Y116 VanDerWaalsContact CZ2-CE2 3.45Å; W49-Y116 HydrophobicContact CZ2-CG 4.13Å; W49-Y116 AromaticContact NE1-CD1 3.51Å; W49-Y116 AromaticContact NE1-CD2 3.46Å; W49-Y116 AromaticContact NE1-CG 3.16Å
50T98.6Very high98.1Very high13 Ų1350.3 Ų50.38%0.0828%0.284CS..Hα-helixtrans-64.8-44.2175.8-62.50000111.8A46 V47 V48 C53 T54 H123 I126 N127A46-T50 PolarHBondContact O-N 2.74Å; A46-T50 VanDerWaalsContact O-N 3.12Å; A46-T50 PolarHBondContact O-OG1 3.25Å; V47-T50 PolarHBondContact O-N 2.82Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 3.47Å; T50-C53 PolarHBondContact O-N 2.82Å; T50-T54 HydrophobicContact CG2-CG2 4.45Å; T50-T54 WeakPolarHBondContact O-CB 3.26Å; T50-T54 WeakPolarHBondContact O-CG2 3.33Å; T50-T54 PolarHBondContact O-N 3.33Å; T50-T54 PolarHBondContact O-OG1 3.12Å; T50-H123 PolarHBondContact OG1-ND1 3.41Å; T50-I126 HydrophobicContact CG2-CG2 3.93Å; T50-N127 WeakPolarHBondContact CA-OD1 3.48Å; T50-N127 WeakPolarHBondContact CG2-OD1 3.24Å; T50-N127 PolarHBondContact OG1-ND2 3.28Å
51L98.5Very high98.2Very high64 Ų6451 Ų5134%0.33528%0.281SS..Hα-helixtrans-62.7-42.7174.1-73.2172.1000111.4L37 L43 V47 V48 C53 T54 F55L37-L51 HydrophobicContact CD1-CB 4.05Å; L37-L51 HydrophobicContact CD2-CD1 4.48Å; L43-L51 HydrophobicContact CD1-CD1 3.71Å; L43-L51 HydrophobicContact CD2-CD1 4.32Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.16Å; V47-L51 WeakPolarHBondContact O-CB 3.4Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.35Å; V48-L51 PolarHBondContact O-N 3.01Å; L51-C53 VanDerWaalsContact C-N 3.35Å; L51-C53 PolarHBondContact O-N 2.71Å; L51-T54 WeakPolarHBondContact CA-OG1 3.23Å; L51-T54 PolarHBondContact O-N 3.23Å; L51-T54 PolarHBondContact O-OG1 2.96Å; L51-F55 WeakPolarHBondContact O-CA 3.3Å; L51-F55 WeakPolarHBondContact O-CB 3.36Å; L51-F55 PolarHBondContact O-N 3.11Å
52T98.6Very high98.2Very high4 Ų449.8 Ų49.83%0.02526%0.259CS..Hα-helixtrans-59.3-47.6177-53.70000110.5I30 H34 V48 W49 H56 L109I30-T52 HydrophobicContact CG2-CG2 4.48Å; H34-T52 HydrophobicContact CB-CG2 3.97Å; H34-T52 PolarHBondContact ND1-OG1 3.04Å; V48-T52 WeakPolarHBondContact O-CB 3.36Å; V48-T52 PolarHBondContact O-N 3.46Å; V48-T52 PolarHBondContact O-OG1 3.38Å; W49-T52 PolarHBondContact O-N 3.37Å; T52-H56 WeakPolarHBondContact O-CB 3.28Å; T52-H56 PolarHBondContact O-N 3.25Å; T52-H56 VanDerWaalsContact O-N 3.14Å; T52-L109 HydrophobicContact CG2-CD1 3.99Å; T52-L109 HydrophobicContact CG2-CD2 4.48Å
53C98.5Very high98.2Very high0 Ų046.3 Ų46.30%024%0.241CC..Hα-helixtrans-63.1-52.7179-169.60000112.2W49 T50 L51 N57 L109 A113W49-C53 WeakPolarHBondContact O-CB 3.47Å; W49-C53 PolarHBondContact O-N 2.83Å; T50-C53 PolarHBondContact O-N 2.82Å; L51-C53 VanDerWaalsContact C-N 3.35Å; L51-C53 PolarHBondContact O-N 2.71Å; C53-N57 WeakPolarHBondContact O-CB 3.29Å; C53-N57 PolarHBondContact O-N 3.13Å; C53-N57 PolarHBondContact O-ND2 3.25Å; C53-L109 HydrophobicContact CB-CD2 4.5Å; C53-L109 HydrophobicContact CB-CG 4.25Å; C53-A113 HydrophobicContact CB-CB 4.13Å
54T98.4Very high98.2Very high23 Ų2343.7 Ų43.714%0.14123%0.227CC..Hα-helixtrans-69.5-45.4-175.752.20000112.7T50 L51 H56 N57 I58 I126T50-T54 HydrophobicContact CG2-CG2 4.45Å; T50-T54 WeakPolarHBondContact O-CB 3.26Å; T50-T54 WeakPolarHBondContact O-CG2 3.33Å; T50-T54 PolarHBondContact O-N 3.33Å; T50-T54 PolarHBondContact O-OG1 3.12Å; L51-T54 WeakPolarHBondContact CA-OG1 3.23Å; L51-T54 PolarHBondContact O-N 3.23Å; L51-T54 PolarHBondContact O-OG1 2.96Å; T54-H56 PolarHBondContact O-N 3.34Å; T54-N57 PolarHBondContact O-N 3.22Å; T54-I58 VanDerWaalsContact O-CG1 3.29Å; T54-I58 WeakPolarHBondContact O-CG1 3.36Å; T54-I58 PolarHBondContact O-N 3.44Å; T54-I126 HydrophobicContact CG2-CG2 3.57Å
55F98.2Very high98.2Very high110 Ų11041.4 Ų41.448%0.48221%0.21SC..Hα-helixtrans-62.3-44.8178.5-175.6-105.5000111.1V33 L51 N57 I58 V59V33-F55 HydrophobicContact CG1-CD1 4.22Å; V33-F55 HydrophobicContact CG1-CE1 4.42Å; L51-F55 WeakPolarHBondContact O-CA 3.3Å; L51-F55 WeakPolarHBondContact O-CB 3.36Å; L51-F55 PolarHBondContact O-N 3.11Å; F55-N57 VanDerWaalsContact C-N 3.35Å; F55-N57 PolarHBondContact O-N 2.87Å; F55-I58 PolarHBondContact O-N 2.98Å; F55-V59 HydrophobicContact CD1-CG2 4.19Å; F55-V59 HydrophobicContact CD2-CG2 4.38Å; F55-V59 HydrophobicContact CE1-CG2 3.83Å; F55-V59 HydrophobicContact CE2-CG2 4.03Å; F55-V59 HydrophobicContact CG-CG2 4.46Å; F55-V59 HydrophobicContact CZ-CG2 3.75Å; F55-V59 WeakPolarHBondContact O-CG2 3.41Å; F55-V59 PolarHBondContact O-N 3.31Å
56H98.6Very high98.2Very high19 Ų1942.6 Ų42.69%0.08821%0.206CC..Hα-helixtrans-54.1-51.1172.6170.2-90.8000111.6Y26 T52 T54 I58 V59 M60 L109Y26-H56 AromaticContact CE2-NE2 3.63Å; Y26-H56 AromaticContact CZ-NE2 3.45Å; Y26-H56 PolarHBondContact OH-CE1 3.01Å; Y26-H56 VanDerWaalsContact OH-CE1 3.24Å; Y26-H56 PolarHBondContact OH-NE2 3.12Å; T52-H56 WeakPolarHBondContact O-CB 3.28Å; T52-H56 PolarHBondContact O-N 3.25Å; T52-H56 VanDerWaalsContact O-N 3.14Å; T54-H56 PolarHBondContact O-N 3.34Å; H56-I58 VanDerWaalsContact C-N 3.34Å; H56-I58 PolarHBondContact O-N 3.04Å; H56-V59 PolarHBondContact O-N 3.45Å; H56-M60 WeakPolarHBondContact NE2-CG 3.39Å; H56-M60 WeakPolarHBondContact O-CB 3.45Å; H56-M60 VanDerWaalsContact O-CG 3.28Å; H56-M60 WeakPolarHBondContact O-CG 3.47Å; H56-M60 PolarHBondContact O-N 3.06Å; H56-L109 HydrophobicContact CB-CD2 3.69Å
57N98.6Very high98.1Very high0 Ų045.2 Ų45.20%021%0.214CC..Hα-helixtrans-62.8-39.4-178.1-68.8-17.9000112.3C53 T54 F55 Y61 S130 M131 L134C53-N57 WeakPolarHBondContact O-CB 3.29Å; C53-N57 PolarHBondContact O-N 3.13Å; C53-N57 PolarHBondContact O-ND2 3.25Å; T54-N57 PolarHBondContact O-N 3.22Å; F55-N57 VanDerWaalsContact C-N 3.35Å; F55-N57 PolarHBondContact O-N 2.87Å; N57-Y61 VanDerWaalsContact O-CB 3.23Å; N57-Y61 WeakPolarHBondContact O-CB 3.5Å; N57-Y61 PolarHBondContact O-N 3.24Å; N57-S130 PolarHBondContact ND2-OG 3.43Å; N57-S130 VanDerWaalsContact ND2-OG 3.09Å; N57-M131 PolarHBondContact ND2-N 3.36Å; N57-L134 HydrophobicContact CB-CB 4.22Å; N57-L134 HydrophobicContact CB-CD1 4.37Å
58I98.5Very high97.9Very high97 Ų9744.7 Ų44.750%0.49721%0.207SC..Hα-helixtrans-64.6-50.3176.4-68.7164.3000111.1T54 F55 H56 Y61 R62 L134T54-I58 VanDerWaalsContact O-CG1 3.29Å; T54-I58 WeakPolarHBondContact O-CG1 3.36Å; T54-I58 PolarHBondContact O-N 3.44Å; F55-I58 PolarHBondContact O-N 2.98Å; H56-I58 VanDerWaalsContact C-N 3.34Å; H56-I58 PolarHBondContact O-N 3.04Å; I58-Y61 PolarHBondContact O-N 2.7Å; I58-R62 PolarHBondContact O-N 2.95Å; I58-L134 HydrophobicContact CG1-CD1 3.71Å
59V98.3Very high97.8Very high54 Ų5445.1 Ų45.133%0.32721%0.212SC..Hα-helixtrans-62.6-46.8-179.1171.50000110.3F55 H56 Y61 R62 L63F55-V59 HydrophobicContact CD1-CG2 4.19Å; F55-V59 HydrophobicContact CD2-CG2 4.38Å; F55-V59 HydrophobicContact CE1-CG2 3.83Å; F55-V59 HydrophobicContact CE2-CG2 4.03Å; F55-V59 HydrophobicContact CG-CG2 4.46Å; F55-V59 HydrophobicContact CZ-CG2 3.75Å; F55-V59 WeakPolarHBondContact O-CG2 3.41Å; F55-V59 PolarHBondContact O-N 3.31Å; H56-V59 PolarHBondContact O-N 3.45Å; V59-Y61 VanDerWaalsContact C-N 3.34Å; V59-Y61 PolarHBondContact O-N 3.29Å; V59-R62 PolarHBondContact O-N 3.45Å; V59-L63 HydrophobicContact CG1-CD1 3.93Å; V59-L63 HydrophobicContact CG1-CG 4.44Å; V59-L63 WeakPolarHBondContact O-CG 3.49Å; V59-L63 PolarHBondContact O-N 2.67Å
60M98.2Very high97.6Very high24 Ų2445.4 Ų45.412%0.11822%0.218CC..Hα-helixtrans-64.3-38178.3-70.5-55.2-68.200112.2Y26 H56 L63 L64 L102Y26-M60 HydrophobicContact CE2-CE 4.16Å; Y26-M60 HydrophobicContact CE2-SD 3.85Å; H56-M60 WeakPolarHBondContact NE2-CG 3.39Å; H56-M60 WeakPolarHBondContact O-CB 3.45Å; H56-M60 VanDerWaalsContact O-CG 3.28Å; H56-M60 WeakPolarHBondContact O-CG 3.47Å; H56-M60 PolarHBondContact O-N 3.06Å; M60-L63 PolarHBondContact O-N 2.97Å; M60-L64 HydrophobicContact CE-CD1 3.54Å; M60-L64 HydrophobicContact CE-CG 4.02Å; M60-L64 VanDerWaalsContact O-CB 3.22Å; M60-L64 WeakPolarHBondContact O-CB 3Å; M60-L64 WeakPolarHBondContact O-CG 3.49Å; M60-L64 PolarHBondContact O-N 3.37Å; M60-L102 HydrophobicContact CE-CD2 4.07Å
61Y98.3Very high97.3Very high71 Ų7150.4 Ų50.428%0.27825%0.251SS..Hα-helixtrans-62.2-45.8173.8179.3-94.1000111.8N57 I58 V59 L63 H65 W66 L134 P138N57-Y61 VanDerWaalsContact O-CB 3.23Å; N57-Y61 WeakPolarHBondContact O-CB 3.5Å; N57-Y61 PolarHBondContact O-N 3.24Å; I58-Y61 PolarHBondContact O-N 2.7Å; V59-Y61 VanDerWaalsContact C-N 3.34Å; V59-Y61 PolarHBondContact O-N 3.29Å; Y61-L63 PolarHBondContact O-N 2.76Å; Y61-H65 HydrophobicContact CD2-CB 3.86Å; Y61-H65 HydrophobicContact CE2-CB 3.87Å; Y61-H65 HydrophobicContact CG-CB 4.45Å; Y61-H65 CarbonylContact O-C 3.53Å; Y61-H65 WeakPolarHBondContact O-CA 3.43Å; Y61-H65 WeakPolarHBondContact O-CB 3.36Å; Y61-H65 PolarHBondContact O-N 3.21Å; Y61-W66 HydrophobicContact CE1-CE3 4.03Å; Y61-W66 PolarHBondContact O-N 2.85Å; Y61-L134 HydrophobicContact CD1-CD2 4.25Å; Y61-L134 HydrophobicContact CD2-CB 4.31Å; Y61-L134 HydrophobicContact CD2-CD2 4.11Å; Y61-L134 WeakPolarHBondContact CD2-O 3.36Å; Y61-L134 HydrophobicContact CE2-CD2 4.48Å; Y61-L134 HydrophobicContact CG-CB 4.34Å; Y61-L134 HydrophobicContact CG-CD2 3.98Å; Y61-P138 HydrophobicContact CD2-CG 3.97Å; Y61-P138 HydrophobicContact CE2-CB 4.43Å; Y61-P138 HydrophobicContact CE2-CG 3.76Å
62R97.8Very high97Very high102 Ų10251.4 Ų51.439%0.38525%0.251SS..Iπ-helixtrans-58.4-49.4178-17671.4-177.487.90.9111.2I58 V59 W66 E67I58-R62 PolarHBondContact O-N 2.95Å; V59-R62 PolarHBondContact O-N 3.45Å; R62-W66 VanDerWaalsContact CZ-CD1 3.49Å; R62-W66 WeakPolarHBondContact O-CB 3.49Å; R62-W66 PolarHBondContact O-N 2.96Å; R62-E67 IonicContact CZ-OE1 2.96Å; R62-E67 IonicContact CZ-OE2 3.42Å; R62-E67 IonicContact NE-OE1 3.89Å; R62-E67 VanDerWaalsContact NH1-CG 3.34Å; R62-E67 IonicContact NH1-OE1 2.7Å; R62-E67 PolarHBondContact NH1-OE1 2.94Å; R62-E67 IonicContact NH1-OE2 3.67Å; R62-E67 PolarHBondContact NH1-OE2 2.88Å; R62-E67 VanDerWaalsContact NH2-CD 3.3Å; R62-E67 IonicContact NH2-OE1 2.75Å; R62-E67 PolarHBondContact NH2-OE1 3.38Å; R62-E67 IonicContact NH2-OE2 3.16Å; R62-E67 PolarHBondContact NH2-OE2 3.22Å; R62-E67 VanDerWaalsContact NH2-OE2 3.16Å; R62-E67 PolarHBondContact O-N 3.18Å; R62-E67 VanDerWaalsContact O-N 3.09Å
63L96.9Very high96.6Very high88 Ų8859.3 Ų59.346%0.46129%0.287SS..Iπ-helixtrans-67.8-45.2-177.8-66.9175000112.3V59 M60 Y61 Q85V59-L63 HydrophobicContact CG1-CD1 3.93Å; V59-L63 HydrophobicContact CG1-CG 4.44Å; V59-L63 WeakPolarHBondContact O-CG 3.49Å; V59-L63 PolarHBondContact O-N 2.67Å; M60-L63 PolarHBondContact O-N 2.97Å; Y61-L63 PolarHBondContact O-N 2.76Å; L63-Q85 WeakPolarHBondContact O-CB 3.33Å; L63-Q85 VanDerWaalsContact O-CG 3.23Å; L63-Q85 WeakPolarHBondContact O-CG 3.28Å
64L97.3Very high96.4Very high3 Ų360.2 Ų60.22%0.01629%0.293CS..Iπ-helixtrans-90.2-33.8-169.5-63.7-171.1000114.4M60 T84 Q85 W86 F89 L102M60-L64 HydrophobicContact CE-CD1 3.54Å; M60-L64 HydrophobicContact CE-CG 4.02Å; M60-L64 VanDerWaalsContact O-CB 3.22Å; M60-L64 WeakPolarHBondContact O-CB 3Å; M60-L64 WeakPolarHBondContact O-CG 3.49Å; M60-L64 PolarHBondContact O-N 3.37Å; L64-T84 VanDerWaalsContact O-CB 3.29Å; L64-T84 WeakPolarHBondContact O-CB 3.23Å; L64-T84 PolarHBondContact O-OG1 3.5Å; L64-Q85 HydrophobicContact CD2-CB 4.37Å; L64-Q85 PolarHBondContact O-N 3.23Å; L64-W86 HydrophobicContact CB-CB 4.3Å; L64-W86 HydrophobicContact CD1-CE3 4.06Å; L64-W86 HydrophobicContact CD1-CZ3 4.45Å; L64-W86 VanDerWaalsContact O-CB 3.26Å; L64-W86 WeakPolarHBondContact O-CB 3.03Å; L64-W86 PolarHBondContact O-N 3.16Å; L64-F89 HydrophobicContact CD2-CE2 3.69Å; L64-F89 HydrophobicContact CD2-CZ 4.19Å; L64-L102 HydrophobicContact CD1-CD1 4.43Å
65H97.4Very high96.1Very high18 Ų1863 Ų638%0.08331%0.307CS..Iπ-helixtrans-122.8-4.8-166.4-58.7-69.1000113.6Y61 T84 W86 P138Y61-H65 HydrophobicContact CD2-CB 3.86Å; Y61-H65 HydrophobicContact CE2-CB 3.87Å; Y61-H65 HydrophobicContact CG-CB 4.45Å; Y61-H65 CarbonylContact O-C 3.53Å; Y61-H65 WeakPolarHBondContact O-CA 3.43Å; Y61-H65 WeakPolarHBondContact O-CB 3.36Å; Y61-H65 PolarHBondContact O-N 3.21Å; H65-T84 WeakPolarHBondContact O-CG2 3.08Å; H65-W86 AromaticContact CE1-CD1 3.62Å; H65-W86 AromaticContact CE1-CD2 3.74Å; H65-W86 AromaticContact CE1-CG 3.33Å; H65-W86 AromaticContact ND1-CG 3.85Å; H65-P138 HydrophobicContact CB-CB 4.21Å; H65-P138 PolarHBondContact CE1-O 2.91Å; H65-P138 VanDerWaalsContact CE1-O 3.29Å; H65-P138 WeakPolarHBondContact ND1-CB 3.27Å
66W97.1Very high95.9Very high101 Ų10158.4 Ų58.438%0.38329%0.287SS..Iπ-helixtrans-111.7-49.8174-165.1-72.2000113.1Y61 R62 I151 N152Y61-W66 HydrophobicContact CE1-CE3 4.03Å; Y61-W66 PolarHBondContact O-N 2.85Å; R62-W66 VanDerWaalsContact CZ-CD1 3.49Å; R62-W66 WeakPolarHBondContact O-CB 3.49Å; R62-W66 PolarHBondContact O-N 2.96Å; W66-I151 HydrophobicContact CH2-CG2 4Å; W66-I151 HydrophobicContact CZ3-CG2 4.34Å; W66-N152 PolarHBondContact O-ND2 2.96Å
67E95.8Very high95.6Very high79 Ų7966 Ų6637%0.36932%0.323SS..  trans-65.4137.7177.1-58.8-61.4-173.500111.3R62 T84 Q85R62-E67 IonicContact CZ-OE1 2.96Å; R62-E67 IonicContact CZ-OE2 3.42Å; R62-E67 IonicContact NE-OE1 3.89Å; R62-E67 VanDerWaalsContact NH1-CG 3.34Å; R62-E67 IonicContact NH1-OE1 2.7Å; R62-E67 PolarHBondContact NH1-OE1 2.94Å; R62-E67 IonicContact NH1-OE2 3.67Å; R62-E67 PolarHBondContact NH1-OE2 2.88Å; R62-E67 VanDerWaalsContact NH2-CD 3.3Å; R62-E67 IonicContact NH2-OE1 2.75Å; R62-E67 PolarHBondContact NH2-OE1 3.38Å; R62-E67 IonicContact NH2-OE2 3.16Å; R62-E67 PolarHBondContact NH2-OE2 3.22Å; R62-E67 VanDerWaalsContact NH2-OE2 3.16Å; R62-E67 PolarHBondContact O-N 3.18Å; R62-E67 VanDerWaalsContact O-N 3.09Å; E67-T84 VanDerWaalsContact O-CA 3.22Å; E67-T84 WeakPolarHBondContact O-CA 3.42Å; E67-T84 WeakPolarHBondContact O-CB 3.36Å; E67-Q85 PolarHBondContact O-N 2.95Å
68K95.9Very high95.3Very high39 Ų3967.3 Ų67.317%0.1734%0.336CS..BIsolated β-bridgetrans-125.7161.9-179.4-67.9177.8177.8178.90112.5V82 L83 T84 N152 R153 W154K68-V82 WeakPolarHBondContact CD-O 3.29Å; K68-V82 WeakPolarHBondContact CE-O 3.5Å; K68-L83 VanDerWaalsContact CA-O 3.24Å; K68-L83 WeakPolarHBondContact CA-O 3.49Å; K68-L83 WeakPolarHBondContact CB-O 3.46Å; K68-T84 HydrophobicContact CG-CG2 4.04Å; K68-N152 WeakPolarHBondContact CE-O 3.46Å; K68-N152 VanDerWaalsContact CE-OD1 3.29Å; K68-N152 WeakPolarHBondContact CE-OD1 3.49Å; K68-N152 VanDerWaalsContact NZ-C 3.33Å; K68-N152 PolarHBondContact NZ-O 3.02Å; K68-R153 PolarHBondContact NZ-O 2.94Å; K68-W154 PolarHBondContact NZ-OXT 2.88Å
69G95.3Very high95Very high10 Ų1070.1 Ų70.110%0.10335%0.347CS..SBendtrans70.7-154.2-179.100000111.5L83 Q85 Q88G69-L83 PolarHBondContact N-O 3.44Å; G69-L83 VanDerWaalsContact N-O 3.07Å; G69-Q85 PolarHBondContact O-NE2 3.46Å; G69-Q88 PolarHBondContact O-NE2 2.91Å
70S93.9Very high94.8Very high34 Ų3468.2 Ų68.224%0.23834%0.337CS..  trans-129.4146.9-177.6171.70000109.7T13 Y72T13-S70 PolarHBondContact OG1-OG 3.49Å; S70-Y72 WeakPolarHBondContact CB-O 3.36Å; S70-Y72 PolarHBondContact O-N 3.43Å; S70-Y72 WeakPolarHBondContact OG-CD2 3.38Å; S70-Y72 WeakPolarHBondContact OG-CE2 3.5Å; S70-Y72 PolarHBondContact OG-N 3.32Å; S70-Y72 PolarHBondContact OG-O 2.93Å; S70-Y72 VanDerWaalsContact OG-O 3.07Å
71P93.1Very high94.7Very high118 Ų11875.8 Ų75.877%0.76636%0.364SS*.SBendtrans-72.81.2173.930.3-33.9000113.7
72Y91.3Very high94.5Very high85 Ų8575 Ų7533%0.33337%0.366SS..SBendtrans-138.9158.8177.842-98.2000111.2V3 P12 T13 S70 T74V3-Y72 HydrophobicContact CG2-CD2 3.71Å; V3-Y72 HydrophobicContact CG2-CE2 4.21Å; V3-Y72 HydrophobicContact CG2-CG 4.47Å; P12-Y72 HydrophobicContact CB-CE2 4.06Å; P12-Y72 WeakPolarHBondContact CB-OH 3.45Å; P12-Y72 HydrophobicContact CG-CE2 4.07Å; T13-Y72 VanDerWaalsContact CA-OH 3.31Å; T13-Y72 WeakPolarHBondContact CA-OH 3.47Å; T13-Y72 PolarHBondContact N-OH 2.9Å; T13-Y72 PolarHBondContact OG1-OH 3.34Å; S70-Y72 WeakPolarHBondContact CB-O 3.36Å; S70-Y72 PolarHBondContact O-N 3.43Å; S70-Y72 WeakPolarHBondContact OG-CD2 3.38Å; S70-Y72 WeakPolarHBondContact OG-CE2 3.5Å; S70-Y72 PolarHBondContact OG-N 3.32Å; S70-Y72 PolarHBondContact OG-O 2.93Å; S70-Y72 VanDerWaalsContact OG-O 3.07Å; Y72-T74 HydrophobicContact CD2-CG2 4.13Å; Y72-T74 HydrophobicContact CE2-CG2 4.09Å; Y72-T74 PolarHBondContact O-N 3.49Å
73E92.2Very high94.5Very high170 Ų17070.9 Ų70.979%0.79435%0.352SS*.  trans-64120.3174.5-164.468.6-163.800110.2V3V3-E73 VanDerWaalsContact CG2-O 3.27Å; V3-E73 WeakPolarHBondContact CG2-O 3.17Å
74T92.8Very high94.5Very high20 Ų2066.9 Ų66.912%0.12333%0.331CS..  trans-95.9159.4179.447.90000110.9N11 Y72 D76N11-T74 HydrophobicContact CB-CG2 4.19Å; N11-T74 WeakPolarHBondContact OD1-CG2 3.31Å; Y72-T74 HydrophobicContact CD2-CG2 4.13Å; Y72-T74 HydrophobicContact CE2-CG2 4.09Å; Y72-T74 PolarHBondContact O-N 3.49Å; T74-D76 VanDerWaalsContact C-N 3.32Å; T74-D76 VanDerWaalsContact CB-OD1 3.25Å; T74-D76 WeakPolarHBondContact CB-OD1 3.41Å; T74-D76 PolarHBondContact OG1-OD1 2.89Å
75L93.6Very high94.5Very high82 Ų8267.8 Ų67.843%0.42934%0.335SS..SBendtrans-89.1-0.6177-61.2178.1000112.9V3 L10 Q77V3-L75 HydrophobicContact CB-CG 4.42Å; V3-L75 HydrophobicContact CG1-CD1 4.25Å; V3-L75 HydrophobicContact CG1-CG 4.1Å; L10-L75 HydrophobicContact CB-CB 4.36Å; L10-L75 HydrophobicContact CD2-CB 3.79Å; L10-L75 HydrophobicContact CD2-CD1 4.46Å; L10-L75 PolarHBondContact O-N 3.43Å; L75-Q77 PolarHBondContact O-N 3.37Å
76D93Very high94.5Very high12 Ų1267.5 Ų67.56%0.06433%0.333CS..SBendtrans-80.112.8-17975.8-17000113.9L10 T74 G78 E79 S80L10-D76 HydrophobicContact CB-CB 4.43Å; T74-D76 VanDerWaalsContact C-N 3.32Å; T74-D76 VanDerWaalsContact CB-OD1 3.25Å; T74-D76 WeakPolarHBondContact CB-OD1 3.41Å; T74-D76 PolarHBondContact OG1-OD1 2.89Å; D76-G78 PolarHBondContact O-N 3.24Å; D76-G78 PolarHBondContact OD1-N 3.14Å; D76-G78 VanDerWaalsContact OD1-N 3.08Å; D76-E79 HydrophobicContact CB-CB 4.27Å; D76-E79 WeakPolarHBondContact O-CB 3.39Å; D76-E79 VanDerWaalsContact O-CG 3.26Å; D76-E79 WeakPolarHBondContact O-CG 3Å; D76-E79 PolarHBondContact O-N 3.09Å; D76-E79 VanDerWaalsContact O-N 3.08Å; D76-S80 WeakPolarHBondContact OD2-CB 3.43Å; D76-S80 PolarHBondContact OD2-N 2.89Å; D76-S80 PolarHBondContact OD2-OG 2.96Å
77Q93.2Very high94.5Very high179 Ų17963 Ų6384%0.83632%0.317SS*.THydrogen-bonded Turntrans53.928.6-179-56.9-61.3-44.300113.8L75L75-Q77 PolarHBondContact O-N 3.37Å
78G91.6Very high94.5Very high28 Ų2859.5 Ų59.529%0.28930%0.3SS..THydrogen-bonded Turntrans79.416.8177.700000114.4D76 S80 R81D76-G78 PolarHBondContact O-N 3.24Å; D76-G78 PolarHBondContact OD1-N 3.14Å; D76-G78 VanDerWaalsContact OD1-N 3.08Å; G78-S80 PolarHBondContact O-N 3Å; G78-R81 WeakPolarHBondContact O-CB 3.5Å; G78-R81 PolarHBondContact O-N 2.87Å; G78-R81 VanDerWaalsContact O-N 3.09Å
79E92.7Very high94.4Very high155 Ų15557.8 Ų57.872%0.72429%0.293SS*.G310 helixtrans-53.3-40172.7-80.1-173157.100112D76 R81D76-E79 HydrophobicContact CB-CB 4.27Å; D76-E79 WeakPolarHBondContact O-CB 3.39Å; D76-E79 VanDerWaalsContact O-CG 3.26Å; D76-E79 WeakPolarHBondContact O-CG 3Å; D76-E79 PolarHBondContact O-N 3.09Å; D76-E79 VanDerWaalsContact O-N 3.08Å; E79-R81 VanDerWaalsContact C-N 3.31Å; E79-R81 PolarHBondContact O-N 2.79Å
80S94.1Very high94.4Very high15 Ų1558.6 Ų58.611%0.10530%0.295CS..G310 helixtrans-82.9-0.6-178.8-54.20000114.5N11 D76 G78 V82 L83N11-S80 WeakPolarHBondContact ND2-CB 3.29Å; N11-S80 PolarHBondContact ND2-OG 3.23Å; D76-S80 WeakPolarHBondContact OD2-CB 3.43Å; D76-S80 PolarHBondContact OD2-N 2.89Å; D76-S80 PolarHBondContact OD2-OG 2.96Å; G78-S80 PolarHBondContact O-N 3Å; S80-V82 VanDerWaalsContact C-N 3.25Å; S80-V82 PolarHBondContact O-N 2.95Å; S80-V82 VanDerWaalsContact O-N 3.15Å; S80-L83 PolarHBondContact O-N 2.93Å
81R95.2Very high94.3Very high183 Ų18363.3 Ų63.369%0.69132%0.317SS*.G310 helixtrans-57.5-35.3-172.6-177.7177.464.5-154.7-4.6113.7G78 E79G78-R81 WeakPolarHBondContact O-CB 3.5Å; G78-R81 PolarHBondContact O-N 2.87Å; G78-R81 VanDerWaalsContact O-N 3.09Å; E79-R81 VanDerWaalsContact C-N 3.31Å; E79-R81 PolarHBondContact O-N 2.79Å
82V95.2Very high94.3Very high55 Ų5558.4 Ų58.433%0.33329%0.288SS..G310 helixtrans-96.5-4.1-177.2-62.30000113.4K68 S80 R147K68-V82 WeakPolarHBondContact CD-O 3.29Å; K68-V82 WeakPolarHBondContact CE-O 3.5Å; S80-V82 VanDerWaalsContact C-N 3.25Å; S80-V82 PolarHBondContact O-N 2.95Å; S80-V82 VanDerWaalsContact O-N 3.15Å; V82-R147 PolarHBondContact O-NH2 2.9Å
83L96.9Very high94.5Very high15 Ų1559.8 Ų59.88%0.07930%0.297CS..SBendtrans-91138.8-177-58.8-175.9000110.5K68 G69 S80 E87 Q88 R145K68-L83 VanDerWaalsContact CA-O 3.24Å; K68-L83 WeakPolarHBondContact CA-O 3.49Å; K68-L83 WeakPolarHBondContact CB-O 3.46Å; G69-L83 PolarHBondContact N-O 3.44Å; G69-L83 VanDerWaalsContact N-O 3.07Å; S80-L83 PolarHBondContact O-N 2.93Å; L83-E87 WeakPolarHBondContact CA-OE2 3.41Å; L83-E87 HydrophobicContact CB-CB 4.13Å; L83-E87 HydrophobicContact CD2-CB 4.44Å; L83-Q88 HydrophobicContact CB-CG 3.72Å; L83-Q88 HydrophobicContact CD1-CG 4.37Å; L83-Q88 PolarHBondContact O-NE2 3.23Å; L83-R145 HydrophobicContact CD2-CG 3.92Å
84T97.3Very high94.6Very high4 Ų454 Ų543%0.02527%0.27CS..BIsolated β-bridgetrans-74.2164.4171.7770000110.6L64 H65 E67 K68 W86 E87 Q88L64-T84 VanDerWaalsContact O-CB 3.29Å; L64-T84 WeakPolarHBondContact O-CB 3.23Å; L64-T84 PolarHBondContact O-OG1 3.5Å; H65-T84 WeakPolarHBondContact O-CG2 3.08Å; E67-T84 VanDerWaalsContact O-CA 3.22Å; E67-T84 WeakPolarHBondContact O-CA 3.42Å; E67-T84 WeakPolarHBondContact O-CB 3.36Å; K68-T84 HydrophobicContact CG-CG2 4.04Å; T84-W86 VanDerWaalsContact C-N 3.26Å; T84-W86 PolarHBondContact O-N 2.87Å; T84-E87 PolarHBondContact N-OE2 3.2Å; T84-E87 PolarHBondContact O-N 2.75Å; T84-Q88 WeakPolarHBondContact O-CG 3.22Å; T84-Q88 PolarHBondContact O-N 3.29Å; T84-Q88 VanDerWaalsContact O-N 3.1Å
85Q96.5Very high94.6Very high21 Ų2159.4 Ų59.410%0.09829%0.292CS..Hα-helixtrans-52.9-44.2177.1-63.9-68.2-57.400112.3L63 L64 E67 G69 E87 Q88 F89L63-Q85 WeakPolarHBondContact O-CB 3.33Å; L63-Q85 VanDerWaalsContact O-CG 3.23Å; L63-Q85 WeakPolarHBondContact O-CG 3.28Å; L64-Q85 HydrophobicContact CD2-CB 4.37Å; L64-Q85 PolarHBondContact O-N 3.23Å; E67-Q85 PolarHBondContact O-N 2.95Å; G69-Q85 PolarHBondContact O-NE2 3.46Å; Q85-E87 VanDerWaalsContact C-N 3.27Å; Q85-E87 PolarHBondContact O-N 2.99Å; Q85-Q88 PolarHBondContact O-N 3.44Å; Q85-F89 HydrophobicContact CB-CZ 4.34Å; Q85-F89 WeakPolarHBondContact O-CD2 3.46Å; Q85-F89 WeakPolarHBondContact O-CG 3.34Å; Q85-F89 PolarHBondContact O-N 3.3Å
86W97.3Very high94.8Very high12 Ų1255.5 Ų55.55%0.04527%0.272CS..Hα-helixtrans-58.2-37.2176.4-177.2-102.9000114L64 H65 T84 F89 K99 L102 K139L64-W86 HydrophobicContact CB-CB 4.3Å; L64-W86 HydrophobicContact CD1-CE3 4.06Å; L64-W86 HydrophobicContact CD1-CZ3 4.45Å; L64-W86 VanDerWaalsContact O-CB 3.26Å; L64-W86 WeakPolarHBondContact O-CB 3.03Å; L64-W86 PolarHBondContact O-N 3.16Å; H65-W86 AromaticContact CE1-CD1 3.62Å; H65-W86 AromaticContact CE1-CD2 3.74Å; H65-W86 AromaticContact CE1-CG 3.33Å; H65-W86 AromaticContact ND1-CG 3.85Å; T84-W86 VanDerWaalsContact C-N 3.26Å; T84-W86 PolarHBondContact O-N 2.87Å; W86-F89 HydrophobicContact CE3-CD2 4.35Å; W86-K99 HydrophobicContact CH2-CB 3.64Å; W86-K99 HydrophobicContact CH2-CD 4.29Å; W86-K99 HydrophobicContact CH2-CG 3.67Å; W86-K99 HydrophobicContact CZ2-CB 4.06Å; W86-K99 HydrophobicContact CZ2-CD 4.06Å; W86-K99 HydrophobicContact CZ2-CG 3.96Å; W86-K99 HydrophobicContact CZ3-CB 4.34Å; W86-K99 HydrophobicContact CZ3-CG 4.02Å; W86-K99 PolarHBondContact O-NZ 2.95Å; W86-L102 HydrophobicContact CE3-CD1 4.47Å; W86-L102 HydrophobicContact CH2-CB 4.41Å; W86-L102 HydrophobicContact CZ3-CB 3.87Å; W86-L102 HydrophobicContact CZ3-CD1 3.85Å; W86-K139 HydrophobicContact CD2-CG 4.19Å; W86-K139 HydrophobicContact CE3-CG 4.35Å; W86-K139 HydrophobicContact CH2-CB 4.1Å; W86-K139 HydrophobicContact CH2-CD 3.58Å; W86-K139 HydrophobicContact CH2-CG 3.73Å; W86-K139 HydrophobicContact CZ2-CB 3.55Å; W86-K139 HydrophobicContact CZ2-CD 3.94Å; W86-K139 HydrophobicContact CZ2-CG 3.55Å; W86-K139 HydrophobicContact CZ3-CD 3.93Å; W86-K139 HydrophobicContact CZ3-CG 4.13Å
87E97.1Very high94.9Very high8 Ų859.2 Ų59.24%0.03730%0.297CS..Hα-helixtrans-78-26.3-177.6-65.9173.4149.600112.7L83 T84 Q85 Y144 R145 R147L83-E87 WeakPolarHBondContact CA-OE2 3.41Å; L83-E87 HydrophobicContact CB-CB 4.13Å; L83-E87 HydrophobicContact CD2-CB 4.44Å; T84-E87 PolarHBondContact N-OE2 3.2Å; T84-E87 PolarHBondContact O-N 2.75Å; Q85-E87 VanDerWaalsContact C-N 3.27Å; Q85-E87 PolarHBondContact O-N 2.99Å; E87-Y144 HydrophobicContact CB-CD2 4.35Å; E87-Y144 HydrophobicContact CB-CE2 3.79Å; E87-Y144 HydrophobicContact CG-CD2 4.07Å; E87-Y144 HydrophobicContact CG-CE2 4.02Å; E87-Y144 PolarHBondContact O-OH 2.82Å; E87-R145 WeakPolarHBondContact OE1-CA 3.28Å; E87-R145 PolarHBondContact OE1-N 2.79Å; E87-R147 IonicContact OE1-CZ 3.43Å; E87-R147 IonicContact OE1-NH1 3.26Å; E87-R147 PolarHBondContact OE1-NH1 3.14Å; E87-R147 IonicContact OE1-NH2 3.28Å; E87-R147 PolarHBondContact OE1-NH2 3.32Å; E87-R147 IonicContact OE2-CZ 3.61Å; E87-R147 IonicContact OE2-NH1 3.77Å; E87-R147 IonicContact OE2-NH2 2.7Å; E87-R147 PolarHBondContact OE2-NH2 3.09Å
88Q96.3Very high95.1Very high5 Ų551 Ų512%0.02326%0.259CS..Hα-helixtrans-78.3-29.2176.6-66.9177.452.700112.3N11 T13 S14 G69 L83 T84 Q85 D91N11-Q88 PolarHBondContact ND2-OE1 3.07Å; T13-Q88 VanDerWaalsContact CG2-OE1 3.28Å; S14-Q88 WeakPolarHBondContact CA-O 3.36Å; S14-Q88 WeakPolarHBondContact CB-O 3.37Å; G69-Q88 PolarHBondContact O-NE2 2.91Å; L83-Q88 HydrophobicContact CB-CG 3.72Å; L83-Q88 HydrophobicContact CD1-CG 4.37Å; L83-Q88 PolarHBondContact O-NE2 3.23Å; T84-Q88 WeakPolarHBondContact O-CG 3.22Å; T84-Q88 PolarHBondContact O-N 3.29Å; T84-Q88 VanDerWaalsContact O-N 3.1Å; Q85-Q88 PolarHBondContact O-N 3.44Å; Q88-D91 PolarHBondContact O-N 3.06Å
89F93.9Very high95.3Very high3 Ų349.9 Ų49.91%0.01325%0.246CC..G310 helixtrans-59.1139.7-175.9-72.5-37.8000114.2T13 Y16 L17 L64 Q85 W86 D91 G92 K99T13-F89 WeakPolarHBondContact O-CD1 3.4Å; T13-F89 WeakPolarHBondContact O-CE1 3.27Å; Y16-F89 AromaticContact CD1-CE1 3.85Å; Y16-F89 HydrophobicContact CD1-CE1 3.85Å; Y16-F89 AromaticContact CE1-CE1 3.34Å; Y16-F89 HydrophobicContact CE1-CE1 3.34Å; Y16-F89 AromaticContact CE1-CZ 3.64Å; Y16-F89 HydrophobicContact CE1-CZ 3.64Å; Y16-F89 AromaticContact CZ-CE1 3.88Å; Y16-F89 AromaticContact CZ-CZ 3.73Å; L17-F89 HydrophobicContact CB-CE1 4.27Å; L17-F89 HydrophobicContact CB-CZ 4.37Å; L17-F89 HydrophobicContact CD1-CD2 4.25Å; L17-F89 HydrophobicContact CD1-CE1 3.87Å; L17-F89 HydrophobicContact CD1-CE2 3.34Å; L17-F89 HydrophobicContact CD1-CZ 3.14Å; L17-F89 HydrophobicContact CG-CE1 3.88Å; L17-F89 HydrophobicContact CG-CE2 4.26Å; L17-F89 HydrophobicContact CG-CZ 3.6Å; L64-F89 HydrophobicContact CD2-CE2 3.69Å; L64-F89 HydrophobicContact CD2-CZ 4.19Å; Q85-F89 HydrophobicContact CB-CZ 4.34Å; Q85-F89 WeakPolarHBondContact O-CD2 3.46Å; Q85-F89 WeakPolarHBondContact O-CG 3.34Å; Q85-F89 PolarHBondContact O-N 3.3Å; W86-F89 HydrophobicContact CE3-CD2 4.35Å; F89-D91 PolarHBondContact O-N 3.13Å; F89-G92 PolarHBondContact O-N 3.09Å; F89-K99 WeakPolarHBondContact O-CE 3.46Å; F89-K99 PolarHBondContact O-NZ 3.49Å
90D94.6Very high95.5Very high27 Ų2748 Ų4814%0.14424%0.235CC..G310 helixtrans51.738.6179.6-50.5-60.8000111.2S14 N18 G92 E93 S96S14-D90 PolarHBondContact O-N 3.14Å; N18-D90 PolarHBondContact ND2-OD1 3.21Å; D90-G92 PolarHBondContact O-N 2.98Å; D90-E93 HydrophobicContact CB-CB 3.99Å; D90-E93 VanDerWaalsContact O-CB 3.24Å; D90-E93 WeakPolarHBondContact O-CB 3.31Å; D90-E93 PolarHBondContact O-N 2.85Å; D90-S96 VanDerWaalsContact CG-CB 3.49Å; D90-S96 WeakPolarHBondContact OD2-CB 3.37Å; D90-S96 PolarHBondContact OD2-OG 3.06Å
91D92.9Very high95.7Very high133 Ų13349.2 Ų49.271%0.71124%0.239SC*.G310 helixtrans50.232-176.6-55.4-41000113.7S14 Q88 F89S14-D91 VanDerWaalsContact CB-OD1 3.28Å; S14-D91 WeakPolarHBondContact CB-OD1 3.44Å; S14-D91 PolarHBondContact OG-OD1 2.98Å; S14-D91 VanDerWaalsContact OG-OD1 3.04Å; Q88-D91 PolarHBondContact O-N 3.06Å; F89-D91 PolarHBondContact O-N 3.13Å
92G93.5Very high95.8Very high14 Ų1440.9 Ų40.914%0.14421%0.208CC..G310 helixtrans88.53.5-179.400000115.2F89 D90 Q94F89-G92 PolarHBondContact O-N 3.09Å; D90-G92 PolarHBondContact O-N 2.98Å; G92-Q94 PolarHBondContact O-N 3.24Å; G92-Q94 PolarHBondContact O-NE2 2.7Å
93E94.9Very high95.9Very high115 Ų11541 Ų4154%0.53721%0.206SC..  trans-58.2126.9172.3-173-176.5178.600110.1D90 K99D90-E93 HydrophobicContact CB-CB 3.99Å; D90-E93 VanDerWaalsContact O-CB 3.24Å; D90-E93 WeakPolarHBondContact O-CB 3.31Å; D90-E93 PolarHBondContact O-N 2.85Å; E93-K99 VanDerWaalsContact O-CD 3.27Å; E93-K99 WeakPolarHBondContact O-CD 3.18Å; E93-K99 WeakPolarHBondContact O-CE 3.42Å; E93-K99 PolarHBondContact O-NZ 2.89Å
94Q93.5Very high96Very high47 Ų4743.8 Ų43.822%0.2222%0.224CC..SBendtrans-78.2-26.7-172.1-61.2-61.3-52.600113.3G92 P141 Y144G92-Q94 PolarHBondContact O-N 3.24Å; G92-Q94 PolarHBondContact O-NE2 2.7Å; Q94-P141 HydrophobicContact CB-CB 4.38Å; Q94-P141 HydrophobicContact CB-CG 4.23Å; Q94-P141 HydrophobicContact CG-CB 4.2Å; Q94-Y144 VanDerWaalsContact NE2-CD2 3.26Å
95F94.4Very high96Very high134 Ų13444.3 Ų44.359%0.58823%0.227SC*.SBendtrans-126.148.1-166.7-66.6-63.7000114.6P141F95-P141 HydrophobicContact CE1-CG 4.22Å; F95-P141 HydrophobicContact CE2-CG 4.35Å; F95-P141 HydrophobicContact CZ-CG 3.76Å
96S96.1Very high96.1Very high1 Ų143.4 Ų43.41%0.00722%0.223CC..  trans-77.3162.1173.774.40000113.3D90 T98 K99 K100D90-S96 VanDerWaalsContact CG-CB 3.49Å; D90-S96 WeakPolarHBondContact OD2-CB 3.37Å; D90-S96 PolarHBondContact OD2-OG 3.06Å; S96-T98 VanDerWaalsContact C-N 3.32Å; S96-T98 PolarHBondContact O-N 3.28Å; S96-K99 PolarHBondContact O-N 3.25Å; S96-K99 WeakPolarHBondContact OG-CB 3.35Å; S96-K99 WeakPolarHBondContact OG-CG 3.41Å; S96-K99 PolarHBondContact OG-N 3.06Å; S96-K99 VanDerWaalsContact OG-N 3.07Å; S96-K100 WeakPolarHBondContact O-CG 3.46Å; S96-K100 PolarHBondContact O-N 3.35Å
97P96.5Very high96.1Very high90 Ų9045.8 Ų45.858%0.58424%0.236SC*.Hα-helixtrans-55.4-42.9171.7-26.335.7000113.4W23 K100 F101W23-P97 HydrophobicContact CH2-CB 3.91Å; W23-P97 HydrophobicContact CZ2-CB 4.15Å; P97-K100 PolarHBondContact O-N 2.94Å; P97-F101 WeakPolarHBondContact O-CB 3.12Å; P97-F101 PolarHBondContact O-N 3.41Å
98T96.3Very high96.2Very high5 Ų548.8 Ų48.83%0.03125%0.254CS..Hα-helixtrans-67.5-41.9-179.7-64.90000111.8L17 N18 W23 S96 K100 F101 L102L17-T98 HydrophobicContact CB-CG2 3.85Å; N18-T98 VanDerWaalsContact OD1-CB 3.3Å; N18-T98 WeakPolarHBondContact OD1-CB 3.33Å; N18-T98 PolarHBondContact OD1-OG1 3.1Å; W23-T98 WeakPolarHBondContact CZ2-OG1 3.26Å; W23-T98 PolarHBondContact NE1-OG1 3.26Å; S96-T98 VanDerWaalsContact C-N 3.32Å; S96-T98 PolarHBondContact O-N 3.28Å; T98-K100 PolarHBondContact O-N 2.63Å; T98-F101 PolarHBondContact O-N 2.98Å; T98-L102 HydrophobicContact CG2-CD1 3.97Å; T98-L102 HydrophobicContact CG2-CG 4.4Å; T98-L102 WeakPolarHBondContact O-CG 3.22Å; T98-L102 PolarHBondContact O-N 3.49Å
99K96.9Very high96.3Very high5 Ų549 Ų492%0.02226%0.256CS..Hα-helixtrans-64-40.6175.4-73.2-175.2-176.3178.40112W86 F89 E93 S96 L102 L103W86-K99 HydrophobicContact CH2-CB 3.64Å; W86-K99 HydrophobicContact CH2-CD 4.29Å; W86-K99 HydrophobicContact CH2-CG 3.67Å; W86-K99 HydrophobicContact CZ2-CB 4.06Å; W86-K99 HydrophobicContact CZ2-CD 4.06Å; W86-K99 HydrophobicContact CZ2-CG 3.96Å; W86-K99 HydrophobicContact CZ3-CB 4.34Å; W86-K99 HydrophobicContact CZ3-CG 4.02Å; W86-K99 PolarHBondContact O-NZ 2.95Å; F89-K99 WeakPolarHBondContact O-CE 3.46Å; F89-K99 PolarHBondContact O-NZ 3.49Å; E93-K99 VanDerWaalsContact O-CD 3.27Å; E93-K99 WeakPolarHBondContact O-CD 3.18Å; E93-K99 WeakPolarHBondContact O-CE 3.42Å; E93-K99 PolarHBondContact O-NZ 2.89Å; S96-K99 PolarHBondContact O-N 3.25Å; S96-K99 WeakPolarHBondContact OG-CB 3.35Å; S96-K99 WeakPolarHBondContact OG-CG 3.41Å; S96-K99 PolarHBondContact OG-N 3.06Å; S96-K99 VanDerWaalsContact OG-N 3.07Å; K99-L102 PolarHBondContact O-N 2.93Å; K99-L103 WeakPolarHBondContact O-CB 3.5Å; K99-L103 PolarHBondContact O-N 3.07Å
100K97.3Very high96.5Very high116 Ų11650.5 Ų50.550%0.50426%0.263SS..Hα-helixtrans-60.9-45.6173.7-72.1170.6-175.9169.50111.2S96 P97 T98 L103 V104S96-K100 WeakPolarHBondContact O-CG 3.46Å; S96-K100 PolarHBondContact O-N 3.35Å; P97-K100 PolarHBondContact O-N 2.94Å; T98-K100 PolarHBondContact O-N 2.63Å; K100-L103 PolarHBondContact O-N 3.15Å; K100-V104 VanDerWaalsContact O-CG2 3.28Å; K100-V104 WeakPolarHBondContact O-CG2 3.4Å; K100-V104 PolarHBondContact O-N 2.85Å
101F97.6Very high96.7Very high41 Ų4154.2 Ų54.218%0.1828%0.282CS..Hα-helixtrans-59.4-49.8176.7170.5-107000112.1W23 Y26 I27 P97 T98 L103 V104 V105W23-F101 HydrophobicContact CB-CD1 4.32Å; W23-F101 HydrophobicContact CB-CE1 3.68Å; W23-F101 HydrophobicContact CB-CE2 4.31Å; W23-F101 HydrophobicContact CB-CZ 3.69Å; W23-F101 AromaticContact CD1-CD1 3.84Å; W23-F101 AromaticContact CD1-CE1 3.84Å; W23-F101 HydrophobicContact CD2-CB 4.41Å; W23-F101 AromaticContact CD2-CD1 3.87Å; W23-F101 HydrophobicContact CD2-CD1 3.87Å; W23-F101 HydrophobicContact CD2-CD2 4.32Å; W23-F101 HydrophobicContact CD2-CE1 4.15Å; W23-F101 AromaticContact CD2-CG 3.95Å; W23-F101 HydrophobicContact CD2-CG 3.95Å; W23-F101 HydrophobicContact CE3-CB 4.49Å; W23-F101 HydrophobicContact CE3-CD1 4.49Å; W23-F101 HydrophobicContact CE3-CD2 4.15Å; W23-F101 HydrophobicContact CE3-CG 4.13Å; W23-F101 AromaticContact CG-CD1 3.76Å; W23-F101 HydrophobicContact CG-CD1 3.76Å; W23-F101 AromaticContact CG-CE1 3.6Å; W23-F101 HydrophobicContact CG-CE1 3.6Å; W23-F101 HydrophobicContact CG-CG 4.28Å; W23-F101 HydrophobicContact CG-CZ 4.04Å; W23-F101 HydrophobicContact CH2-CB 4.37Å; W23-F101 HydrophobicContact CZ2-CB 4.28Å; W23-F101 HydrophobicContact CZ3-CB 4.47Å; Y26-F101 AromaticContact CD1-CE1 3.5Å; Y26-F101 HydrophobicContact CD1-CE1 3.5Å; Y26-F101 AromaticContact CD1-CZ 3.74Å; Y26-F101 HydrophobicContact CD1-CZ 3.74Å; Y26-F101 AromaticContact CE1-CE1 3.99Å; Y26-F101 HydrophobicContact CE1-CE1 3.99Å; Y26-F101 HydrophobicContact CE1-CZ 4.28Å; I27-F101 HydrophobicContact CD1-CE2 4.34Å; I27-F101 HydrophobicContact CD1-CZ 4.1Å; I27-F101 HydrophobicContact CG1-CZ 4.13Å; P97-F101 WeakPolarHBondContact O-CB 3.12Å; P97-F101 PolarHBondContact O-N 3.41Å; T98-F101 PolarHBondContact O-N 2.98Å; F101-L103 PolarHBondContact O-N 3.37Å; F101-V104 PolarHBondContact O-N 3.45Å; F101-V104 VanDerWaalsContact O-N 3.09Å; F101-V105 HydrophobicContact CD2-CG2 4.07Å; F101-V105 HydrophobicContact CE1-CG2 4.35Å; F101-V105 HydrophobicContact CE2-CG2 3.66Å; F101-V105 HydrophobicContact CZ-CG2 3.81Å; F101-V105 WeakPolarHBondContact O-CG2 3.29Å; F101-V105 PolarHBondContact O-N 3.26Å
102L97.4Very high96.9Very high8 Ų851.4 Ų51.44%0.04227%0.266CS..Hα-helixtrans-65.2-22.8178.1-68171.8000113.7L17 Y26 M60 L64 W86 T98 K99 P106 K139L17-L102 HydrophobicContact CD1-CD1 3.68Å; Y26-L102 HydrophobicContact CD1-CD2 4.39Å; Y26-L102 HydrophobicContact CE1-CD2 3.87Å; M60-L102 HydrophobicContact CE-CD2 4.07Å; L64-L102 HydrophobicContact CD1-CD1 4.43Å; W86-L102 HydrophobicContact CE3-CD1 4.47Å; W86-L102 HydrophobicContact CH2-CB 4.41Å; W86-L102 HydrophobicContact CZ3-CB 3.87Å; W86-L102 HydrophobicContact CZ3-CD1 3.85Å; T98-L102 HydrophobicContact CG2-CD1 3.97Å; T98-L102 HydrophobicContact CG2-CG 4.4Å; T98-L102 WeakPolarHBondContact O-CG 3.22Å; T98-L102 PolarHBondContact O-N 3.49Å; K99-L102 PolarHBondContact O-N 2.93Å; L102-P106 WeakPolarHBondContact O-CD 3.48Å; L102-K139 WeakPolarHBondContact O-CE 3Å
103L97.3Very high97.2Very high56 Ų5650.8 Ų50.829%0.29326%0.26SS..Hα-helixtrans-77.9-39.7171.3-178.467.4000111.9K99 K100 F101 P106 I107 K139K99-L103 WeakPolarHBondContact O-CB 3.5Å; K99-L103 PolarHBondContact O-N 3.07Å; K100-L103 PolarHBondContact O-N 3.15Å; F101-L103 PolarHBondContact O-N 3.37Å; L103-P106 WeakPolarHBondContact O-CD 3.48Å; L103-P106 WeakPolarHBondContact O-CG 3.24Å; L103-I107 WeakPolarHBondContact O-CD1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.04Å; L103-K139 HydrophobicContact CB-CD 4.25Å; L103-K139 HydrophobicContact CD1-CB 4.04Å; L103-K139 HydrophobicContact CD1-CD 3.9Å
104V97.8Very high97.3Very high75 Ų7545.5 Ų45.546%0.45524%0.236SC..Hα-helixtrans-74-40.2-175.6169.20000112.4K100 F101 I107 V108K100-V104 VanDerWaalsContact O-CG2 3.28Å; K100-V104 WeakPolarHBondContact O-CG2 3.4Å; K100-V104 PolarHBondContact O-N 2.85Å; F101-V104 PolarHBondContact O-N 3.45Å; F101-V104 VanDerWaalsContact O-N 3.09Å; V104-I107 WeakPolarHBondContact O-CA 3.38Å; V104-I107 WeakPolarHBondContact O-CB 3.23Å; V104-I107 PolarHBondContact O-N 3.11Å; V104-V108 HydrophobicContact CG1-CG2 3.92Å; V104-V108 PolarHBondContact O-N 3.38Å
105V98.3Very high97.6Very high14 Ų1449.3 Ų49.39%0.08525%0.252CS..Hα-helixtrans-52.6-51.6-177.6170.90000114Y26 I27 I30 F101 I107 V108 L109Y26-V105 HydrophobicContact CD1-CG2 4.5Å; Y26-V105 HydrophobicContact CE1-CB 3.98Å; Y26-V105 HydrophobicContact CE1-CG1 3.75Å; Y26-V105 HydrophobicContact CE1-CG2 3.87Å; I27-V105 HydrophobicContact CD1-CG1 4.37Å; I27-V105 HydrophobicContact CD1-CG2 3.95Å; I30-V105 HydrophobicContact CD1-CG1 3.58Å; F101-V105 HydrophobicContact CD2-CG2 4.07Å; F101-V105 HydrophobicContact CE1-CG2 4.35Å; F101-V105 HydrophobicContact CE2-CG2 3.66Å; F101-V105 HydrophobicContact CZ-CG2 3.81Å; F101-V105 WeakPolarHBondContact O-CG2 3.29Å; F101-V105 PolarHBondContact O-N 3.26Å; V105-I107 VanDerWaalsContact C-N 3.25Å; V105-I107 PolarHBondContact O-N 2.87Å; V105-V108 PolarHBondContact O-N 3.47Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 PolarHBondContact O-N 3.43Å
106P97.9Very high97.7Very high2 Ų248.2 Ų48.21%0.01324%0.244CC..Hα-helixtrans-64.2-28.3177.924.2-34.2000113.3L102 L103 F110 A135L102-P106 WeakPolarHBondContact O-CD 3.48Å; L103-P106 WeakPolarHBondContact O-CD 3.48Å; L103-P106 WeakPolarHBondContact O-CG 3.24Å; P106-F110 WeakPolarHBondContact O-CB 3.35Å; P106-F110 PolarHBondContact O-N 3.5Å; P106-A135 HydrophobicContact CB-CB 3.65Å; P106-A135 HydrophobicContact CG-CB 3.86Å
107I98.2Very high97.8Very high63 Ų6348.5 Ų48.532%0.32325%0.246SC..Hα-helixtrans-68.3-46.7174.9-60.3171000110L103 V104 V105 L109 F110 L111 M131L103-I107 WeakPolarHBondContact O-CD1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.04Å; V104-I107 WeakPolarHBondContact O-CA 3.38Å; V104-I107 WeakPolarHBondContact O-CB 3.23Å; V104-I107 PolarHBondContact O-N 3.11Å; V105-I107 VanDerWaalsContact C-N 3.25Å; V105-I107 PolarHBondContact O-N 2.87Å; I107-L109 VanDerWaalsContact C-N 3.31Å; I107-L109 PolarHBondContact O-N 3.31Å; I107-F110 WeakPolarHBondContact O-CB 3.28Å; I107-F110 PolarHBondContact O-N 2.71Å; I107-L111 HydrophobicContact CG2-CD1 4.41Å; I107-L111 WeakPolarHBondContact O-CG 3.34Å; I107-L111 PolarHBondContact O-N 3.05Å; I107-M131 HydrophobicContact CG1-SD 4.3Å
108V98.4Very high97.9Very high70 Ų7052.5 Ų52.542%0.42426%0.257SS..Hα-helixtrans-60.9-42.7175.6174.50000110.7V104 V105 F110 L111 L112V104-V108 HydrophobicContact CG1-CG2 3.92Å; V104-V108 PolarHBondContact O-N 3.38Å; V105-V108 PolarHBondContact O-N 3.47Å; V108-F110 VanDerWaalsContact C-N 3.33Å; V108-F110 PolarHBondContact O-N 2.99Å; V108-L111 PolarHBondContact O-N 3.25Å; V108-L112 HydrophobicContact CG1-CD1 4.1Å; V108-L112 HydrophobicContact CG1-CG 4.47Å; V108-L112 WeakPolarHBondContact O-CG 3.33Å; V108-L112 PolarHBondContact O-N 3.4Å
109L98.3Very high98Very high11 Ų1159.7 Ų59.76%0.05828%0.284CS..Hα-helixtrans-63-39.3177.7-171.558.7000112.2W49 T52 C53 H56 V105 I107 A113W49-L109 HydrophobicContact CE3-CD1 4.48Å; W49-L109 HydrophobicContact CZ3-CD1 4.14Å; T52-L109 HydrophobicContact CG2-CD1 3.99Å; T52-L109 HydrophobicContact CG2-CD2 4.48Å; C53-L109 HydrophobicContact CB-CD2 4.5Å; C53-L109 HydrophobicContact CB-CG 4.25Å; H56-L109 HydrophobicContact CB-CD2 3.69Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 PolarHBondContact O-N 3.43Å; I107-L109 VanDerWaalsContact C-N 3.31Å; I107-L109 PolarHBondContact O-N 3.31Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.18Å; L109-A113 PolarHBondContact O-N 2.83Å
110F98.4Very high98Very high34 Ų3462.5 Ų62.515%0.14930%0.3CS..Hα-helixtrans-62.9-44172.9167.2-100000112.5P106 I107 V108 A113 S114 N127 A128 M131P106-F110 WeakPolarHBondContact O-CB 3.35Å; P106-F110 PolarHBondContact O-N 3.5Å; I107-F110 WeakPolarHBondContact O-CB 3.28Å; I107-F110 PolarHBondContact O-N 2.71Å; V108-F110 VanDerWaalsContact C-N 3.33Å; V108-F110 PolarHBondContact O-N 2.99Å; F110-A113 PolarHBondContact O-N 2.92Å; F110-S114 WeakPolarHBondContact CZ-OG 3.32Å; F110-S114 WeakPolarHBondContact O-CB 3.34Å; F110-S114 PolarHBondContact O-N 3.26Å; F110-S114 PolarHBondContact O-OG 3Å; F110-N127 HydrophobicContact CD2-CB 3.79Å; F110-N127 HydrophobicContact CE2-CB 4.02Å; F110-A128 HydrophobicContact CE2-CB 3.75Å; F110-A128 HydrophobicContact CZ-CB 4.16Å; F110-M131 HydrophobicContact CB-CG 4.3Å; F110-M131 HydrophobicContact CB-SD 3.44Å; F110-M131 WeakPolarHBondContact CB-SD 3.36Å; F110-M131 HydrophobicContact CD1-CE 4.25Å; F110-M131 HydrophobicContact CD1-SD 3.77Å; F110-M131 HydrophobicContact CD2-SD 4.23Å; F110-M131 HydrophobicContact CG-CE 4.34Å; F110-M131 HydrophobicContact CG-SD 3.53Å; F110-M131 VanDerWaalsContact CG-SD 3.53Å
111L98.4Very high98.1Very high105 Ų10561.9 Ų61.955%0.5531%0.307SS..Hα-helixtrans-63.3-44.5178.3-68.4174.1000111.5I107 V108 S114 F115I107-L111 HydrophobicContact CG2-CD1 4.41Å; I107-L111 WeakPolarHBondContact O-CG 3.34Å; I107-L111 PolarHBondContact O-N 3.05Å; V108-L111 PolarHBondContact O-N 3.25Å; L111-S114 PolarHBondContact O-N 3.48Å; L111-F115 PolarHBondContact O-N 3.29Å
112L98.4Very high98.1Very high74 Ų7465.3 Ų65.339%0.38733%0.327SS..Hα-helixtrans-62.1-47.5174.9-69.6171.3000111.2W49 V108 S114 F115 Y116W49-L112 HydrophobicContact CE3-CB 4.12Å; W49-L112 HydrophobicContact CH2-CB 3.96Å; W49-L112 HydrophobicContact CH2-CD1 4.14Å; W49-L112 HydrophobicContact CZ3-CB 3.54Å; W49-L112 HydrophobicContact CZ3-CD1 4.08Å; W49-L112 HydrophobicContact CZ3-CG 4.41Å; V108-L112 HydrophobicContact CG1-CD1 4.1Å; V108-L112 HydrophobicContact CG1-CG 4.47Å; V108-L112 WeakPolarHBondContact O-CG 3.33Å; V108-L112 PolarHBondContact O-N 3.4Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 3.19Å; L112-F115 PolarHBondContact O-N 3.41Å; L112-Y116 WeakPolarHBondContact O-CD2 3.43Å; L112-Y116 PolarHBondContact O-N 3.24Å
113A98.4Very high98.1Very high0 Ų066.5 Ų66.50%033%0.333CS..Hα-helixtrans-61.4-39.2178.400000112W49 C53 L109 F110 Y116 T117W49-A113 HydrophobicContact CB-CB 4.14Å; W49-A113 HydrophobicContact CE3-CB 4.43Å; C53-A113 HydrophobicContact CB-CB 4.13Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.18Å; L109-A113 PolarHBondContact O-N 2.83Å; F110-A113 PolarHBondContact O-N 2.92Å; A113-Y116 PolarHBondContact O-N 3.43Å; A113-T117 VanDerWaalsContact O-CB 3.29Å; A113-T117 WeakPolarHBondContact O-CB 3.4Å; A113-T117 WeakPolarHBondContact O-CG2 3.43Å; A113-T117 PolarHBondContact O-N 3Å; A113-T117 PolarHBondContact O-OG1 3.23Å
114S98.3Very high98.1Very high5 Ų565.9 Ų65.94%0.03533%0.332CS..Hα-helixtrans-63.5-42.5176.3-58.30000111.9F110 L111 L112 T117 E118 Y119F110-S114 WeakPolarHBondContact CZ-OG 3.32Å; F110-S114 WeakPolarHBondContact O-CB 3.34Å; F110-S114 PolarHBondContact O-N 3.26Å; F110-S114 PolarHBondContact O-OG 3Å; L111-S114 PolarHBondContact O-N 3.48Å; L112-S114 VanDerWaalsContact C-N 3.29Å; L112-S114 PolarHBondContact O-N 3.19Å; S114-T117 WeakPolarHBondContact CA-OG1 3.45Å; S114-T117 PolarHBondContact O-N 3.29Å; S114-T117 PolarHBondContact O-OG1 3.01Å; S114-E118 PolarHBondContact O-N 2.91Å; S114-Y119 PolarHBondContact O-N 3.08Å
115F98.4Very high98.2Very high127 Ų12769.3 Ų69.356%0.55734%0.341SS*.Hα-helixtrans-62.7-49.3176.3178.2-98.4000112.2L111 L112 T117 E118L111-F115 PolarHBondContact O-N 3.29Å; L112-F115 PolarHBondContact O-N 3.41Å; F115-T117 VanDerWaalsContact C-N 3.28Å; F115-T117 PolarHBondContact O-N 3.23Å; F115-E118 PolarHBondContact O-N 3.16Å; F115-E118 VanDerWaalsContact O-N 3.15Å
116Y98.2Very high98.2Very high111 Ų11171.5 Ų71.544%0.43535%0.352SS..Hα-helixtrans-77.3-9.8-178.1-81.5-80.9000114.8T45 W49 L112 A113T45-Y116 HydrophobicContact CG2-CD1 4.41Å; W49-Y116 AromaticContact CD1-CG 3.61Å; W49-Y116 AromaticContact CD2-CD2 4Å; W49-Y116 HydrophobicContact CD2-CD2 4Å; W49-Y116 HydrophobicContact CD2-CG 4.21Å; W49-Y116 AromaticContact CE2-CD2 3.34Å; W49-Y116 AromaticContact CE2-CE2 3.81Å; W49-Y116 AromaticContact CE2-CG 3.59Å; W49-Y116 HydrophobicContact CG-CD2 4.47Å; W49-Y116 HydrophobicContact CG-CG 4.21Å; W49-Y116 HydrophobicContact CH2-CD2 4.21Å; W49-Y116 HydrophobicContact CH2-CE2 4.19Å; W49-Y116 AromaticContact CZ2-CD2 3.46Å; W49-Y116 HydrophobicContact CZ2-CD2 3.46Å; W49-Y116 VanDerWaalsContact CZ2-CD2 3.46Å; W49-Y116 AromaticContact CZ2-CE2 3.45Å; W49-Y116 HydrophobicContact CZ2-CE2 3.45Å; W49-Y116 VanDerWaalsContact CZ2-CE2 3.45Å; W49-Y116 HydrophobicContact CZ2-CG 4.13Å; W49-Y116 AromaticContact NE1-CD1 3.51Å; W49-Y116 AromaticContact NE1-CD2 3.46Å; W49-Y116 AromaticContact NE1-CG 3.16Å; L112-Y116 WeakPolarHBondContact O-CD2 3.43Å; L112-Y116 PolarHBondContact O-N 3.24Å; A113-Y116 PolarHBondContact O-N 3.43Å
117T98.1Very high98.2Very high6 Ų671.4 Ų71.44%0.03735%0.352CS..THydrogen-bonded Turntrans-98.29170.455.40000111.8A46 A113 S114 F115 Y119 D120 H123A46-T117 HydrophobicContact CB-CG2 3.97Å; A46-T117 WeakPolarHBondContact O-CG2 3.46Å; A113-T117 VanDerWaalsContact O-CB 3.29Å; A113-T117 WeakPolarHBondContact O-CB 3.4Å; A113-T117 WeakPolarHBondContact O-CG2 3.43Å; A113-T117 PolarHBondContact O-N 3Å; A113-T117 PolarHBondContact O-OG1 3.23Å; S114-T117 WeakPolarHBondContact CA-OG1 3.45Å; S114-T117 PolarHBondContact O-N 3.29Å; S114-T117 PolarHBondContact O-OG1 3.01Å; F115-T117 VanDerWaalsContact C-N 3.28Å; F115-T117 PolarHBondContact O-N 3.23Å; T117-Y119 PolarHBondContact O-N 3.09Å; T117-Y119 VanDerWaalsContact O-N 3.07Å; T117-D120 WeakPolarHBondContact O-CB 3.5Å; T117-D120 PolarHBondContact O-N 2.86Å; T117-H123 HydrophobicContact CG2-CB 3.74Å
118E98Very high98.2Very high174 Ų17469.5 Ų69.581%0.81335%0.345SS*.THydrogen-bonded Turntrans52.831.1179.7-59.5-179.3-167.600113S114 F115 D120S114-E118 PolarHBondContact O-N 2.91Å; F115-E118 PolarHBondContact O-N 3.16Å; F115-E118 VanDerWaalsContact O-N 3.15Å; E118-D120 PolarHBondContact O-N 2.91Å
119Y97.3Very high98.2Very high156 Ų15668.4 Ų68.461%0.61234%0.341SS*.THydrogen-bonded Turntrans56.628.3-176.1-53.8-90000114.2S114 T117S114-Y119 PolarHBondContact O-N 3.08Å; T117-Y119 PolarHBondContact O-N 3.09Å; T117-Y119 VanDerWaalsContact O-N 3.07Å
120D98.3Very high98.2Very high65 Ų6568.6 Ų68.635%0.34834%0.343SS..  trans-51.2128.8171.7171.677.6000110.4T117 E118 L122 H123 C124T117-D120 WeakPolarHBondContact O-CB 3.5Å; T117-D120 PolarHBondContact O-N 2.86Å; E118-D120 PolarHBondContact O-N 2.91Å; D120-L122 VanDerWaalsContact C-N 3.28Å; D120-L122 PolarHBondContact O-N 3.25Å; D120-L122 WeakPolarHBondContact OD2-CB 3.41Å; D120-L122 PolarHBondContact OD2-N 2.86Å; D120-H123 HydrophobicContact CB-CB 4.26Å; D120-H123 PolarHBondContact O-N 3.45Å; D120-H123 IonicContact OD2-CD2 2.89Å; D120-H123 PolarHBondContact OD2-CD2 3.26Å; D120-H123 VanDerWaalsContact OD2-CD2 3.26Å; D120-H123 IonicContact OD2-CG 2.79Å; D120-H123 PolarHBondContact OD2-N 3.42Å; D120-C124 VanDerWaalsContact O-CB 3.29Å; D120-C124 WeakPolarHBondContact O-CB 3.38Å; D120-C124 PolarHBondContact O-N 2.89Å
121P98Very high98.2Very high102 Ų10268.1 Ų68.166%0.66234%0.341SS*.Hα-helixtrans-58.9-35.1-173.4-28.335.5000114.5F125P121-F125 WeakPolarHBondContact O-CB 3.43Å; P121-F125 PolarHBondContact O-N 3.21Å
122L98.1Very high98.2Very high113 Ų11367 Ų6759%0.59234%0.335SS*.Hα-helixtrans-71.7-48.5-179.1177.463.1000110.4D120 C124 F125 I126D120-L122 VanDerWaalsContact C-N 3.28Å; D120-L122 PolarHBondContact O-N 3.25Å; D120-L122 WeakPolarHBondContact OD2-CB 3.41Å; D120-L122 PolarHBondContact OD2-N 2.86Å; L122-C124 VanDerWaalsContact C-N 3.33Å; L122-C124 PolarHBondContact O-N 3.07Å; L122-F125 PolarHBondContact O-N 3.3Å; L122-I126 HydrophobicContact CD1-CD1 3.99Å; L122-I126 HydrophobicContact CD1-CG1 4.46Å; L122-I126 HydrophobicContact CG-CD1 4.04Å; L122-I126 WeakPolarHBondContact O-CG1 3.3Å; L122-I126 PolarHBondContact O-N 2.51Å; L122-I126 VanDerWaalsContact O-N 3.07Å
123H98.4Very high98.1Very high34 Ų3467.5 Ų67.516%0.15734%0.341CS..Hα-helixtrans-59.8-43.8175.2-74.4-66.5000111.8T50 T117 D120 F125 I126 N127T50-H123 PolarHBondContact OG1-ND1 3.41Å; T117-H123 HydrophobicContact CG2-CB 3.74Å; D120-H123 HydrophobicContact CB-CB 4.26Å; D120-H123 PolarHBondContact O-N 3.45Å; D120-H123 IonicContact OD2-CD2 2.89Å; D120-H123 PolarHBondContact OD2-CD2 3.26Å; D120-H123 VanDerWaalsContact OD2-CD2 3.26Å; D120-H123 IonicContact OD2-CG 2.79Å; D120-H123 PolarHBondContact OD2-N 3.42Å; H123-F125 PolarHBondContact O-N 3.25Å; H123-I126 PolarHBondContact O-N 2.76Å; H123-N127 VanDerWaalsContact O-CB 3.31Å; H123-N127 WeakPolarHBondContact O-CB 3.17Å; H123-N127 PolarHBondContact O-N 2.6Å; H123-N127 PolarHBondContact O-ND2 2.66Å; H123-N127 VanDerWaalsContact O-ND2 3.11Å
124C97.4Very high98.1Very high43 Ų4369.3 Ų69.329%0.29135%0.351SS..Hα-helixtrans-60.1-46.9177.4-173.70000111.6D120 L122 I126 N127 A128D120-C124 VanDerWaalsContact O-CB 3.29Å; D120-C124 WeakPolarHBondContact O-CB 3.38Å; D120-C124 PolarHBondContact O-N 2.89Å; L122-C124 VanDerWaalsContact C-N 3.33Å; L122-C124 PolarHBondContact O-N 3.07Å; C124-I126 PolarHBondContact O-N 3.01Å; C124-N127 PolarHBondContact O-N 3.01Å; C124-A128 WeakPolarHBondContact O-CB 3.39Å; C124-A128 PolarHBondContact O-N 3.04Å
125F98.3Very high98.1Very high146 Ų14669.2 Ų69.264%0.6435%0.35SS*.Hα-helixtrans-60.4-45.6178178.5-100.1000112.4P121 L122 H123 S129P121-F125 WeakPolarHBondContact O-CB 3.43Å; P121-F125 PolarHBondContact O-N 3.21Å; L122-F125 PolarHBondContact O-N 3.3Å; H123-F125 PolarHBondContact O-N 3.25Å; F125-S129 VanDerWaalsContact O-CB 3.23Å; F125-S129 WeakPolarHBondContact O-CB 3.06Å; F125-S129 PolarHBondContact O-N 2.89Å; F125-S129 PolarHBondContact O-OG 3.06Å
126I98.5Very high98Very high61 Ų6164.7 Ų64.731%0.31333%0.333SS..Hα-helixtrans-64.4-48.8178.8-67.5168.2000110.8T50 T54 L122 H123 C124 S129 S130T50-I126 HydrophobicContact CG2-CG2 3.93Å; T54-I126 HydrophobicContact CG2-CG2 3.57Å; L122-I126 HydrophobicContact CD1-CD1 3.99Å; L122-I126 HydrophobicContact CD1-CG1 4.46Å; L122-I126 HydrophobicContact CG-CD1 4.04Å; L122-I126 WeakPolarHBondContact O-CG1 3.3Å; L122-I126 PolarHBondContact O-N 2.51Å; L122-I126 VanDerWaalsContact O-N 3.07Å; H123-I126 PolarHBondContact O-N 2.76Å; C124-I126 PolarHBondContact O-N 3.01Å; I126-S129 PolarHBondContact O-OG 3.32Å; I126-S130 WeakPolarHBondContact O-CB 3.32Å; I126-S130 PolarHBondContact O-N 3.42Å; I126-S130 PolarHBondContact O-OG 3.03Å
127N98.5Very high98Very high0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-65.9-44.7-178-67.7-29.6000111.1T50 F110 H123 C124 S130 M131T50-N127 WeakPolarHBondContact CA-OD1 3.48Å; T50-N127 WeakPolarHBondContact CG2-OD1 3.24Å; T50-N127 PolarHBondContact OG1-ND2 3.28Å; F110-N127 HydrophobicContact CD2-CB 3.79Å; F110-N127 HydrophobicContact CE2-CB 4.02Å; H123-N127 VanDerWaalsContact O-CB 3.31Å; H123-N127 WeakPolarHBondContact O-CB 3.17Å; H123-N127 PolarHBondContact O-N 2.6Å; H123-N127 PolarHBondContact O-ND2 2.66Å; H123-N127 VanDerWaalsContact O-ND2 3.11Å; C124-N127 PolarHBondContact O-N 3.01Å; N127-S130 PolarHBondContact O-OG 2.84Å; N127-M131 WeakPolarHBondContact O-CB 3.28Å; N127-M131 PolarHBondContact O-N 3.08Å
128A98.2Very high97.9Very high23 Ų2363.7 Ų63.719%0.1934%0.336CS..Hα-helixtrans-66.2-46.1179.600000112F110 C124 S130 M131 I132F110-A128 HydrophobicContact CE2-CB 3.75Å; F110-A128 HydrophobicContact CZ-CB 4.16Å; C124-A128 WeakPolarHBondContact O-CB 3.39Å; C124-A128 PolarHBondContact O-N 3.04Å; A128-S130 PolarHBondContact O-N 3.03Å; A128-M131 PolarHBondContact O-N 2.99Å; A128-I132 WeakPolarHBondContact O-CB 3.26Å; A128-I132 VanDerWaalsContact O-CG1 3.24Å; A128-I132 WeakPolarHBondContact O-CG1 3.43Å; A128-I132 PolarHBondContact O-N 3.22Å
129S98.3Very high97.9Very high47 Ų4756 Ų5633%0.32930%0.3SS..Hα-helixtrans-61.5-44.9178.259.20000111.5F125 I126 I132 V133F125-S129 VanDerWaalsContact O-CB 3.23Å; F125-S129 WeakPolarHBondContact O-CB 3.06Å; F125-S129 PolarHBondContact O-N 2.89Å; F125-S129 PolarHBondContact O-OG 3.06Å; I126-S129 PolarHBondContact O-OG 3.32Å; S129-I132 PolarHBondContact O-N 3.48Å; S129-V133 WeakPolarHBondContact O-CB 3.08Å; S129-V133 WeakPolarHBondContact O-CG2 3.41Å; S129-V133 PolarHBondContact O-N 2.88Å
130S98.2Very high97.9Very high14 Ų1451.4 Ų51.410%0.09829%0.285CS..Hα-helixtrans-62.9-43.6176.778.70000112.1N57 I126 N127 A128 L134N57-S130 PolarHBondContact ND2-OG 3.43Å; N57-S130 VanDerWaalsContact ND2-OG 3.09Å; I126-S130 WeakPolarHBondContact O-CB 3.32Å; I126-S130 PolarHBondContact O-N 3.42Å; I126-S130 PolarHBondContact O-OG 3.03Å; N127-S130 PolarHBondContact O-OG 2.84Å; A128-S130 PolarHBondContact O-N 3.03Å; S130-L134 VanDerWaalsContact O-CB 3.23Å; S130-L134 WeakPolarHBondContact O-CB 3.43Å; S130-L134 PolarHBondContact O-N 3.09Å
131M98Very high97.8Very high25 Ų2550.5 Ų50.512%0.12328%0.283CS..Iπ-helixtrans-63.9-47.4178.8-177.9-163.572.600111.1N57 I107 F110 N127 A128 A135 V136N57-M131 PolarHBondContact ND2-N 3.36Å; I107-M131 HydrophobicContact CG1-SD 4.3Å; F110-M131 HydrophobicContact CB-CG 4.3Å; F110-M131 HydrophobicContact CB-SD 3.44Å; F110-M131 WeakPolarHBondContact CB-SD 3.36Å; F110-M131 HydrophobicContact CD1-CE 4.25Å; F110-M131 HydrophobicContact CD1-SD 3.77Å; F110-M131 HydrophobicContact CD2-SD 4.23Å; F110-M131 HydrophobicContact CG-CE 4.34Å; F110-M131 HydrophobicContact CG-SD 3.53Å; F110-M131 VanDerWaalsContact CG-SD 3.53Å; N127-M131 WeakPolarHBondContact O-CB 3.28Å; N127-M131 PolarHBondContact O-N 3.08Å; A128-M131 PolarHBondContact O-N 2.99Å; M131-A135 CarbonylContact O-C 3.51Å; M131-A135 WeakPolarHBondContact O-CA 3.41Å; M131-A135 VanDerWaalsContact O-CB 3.26Å; M131-A135 WeakPolarHBondContact O-CB 3.3Å; M131-A135 PolarHBondContact O-N 3.42Å; M131-V136 HydrophobicContact CG-CG2 4.11Å; M131-V136 PolarHBondContact O-N 3.25Å
132I98Very high97.7Very high80 Ų8052.3 Ų52.341%0.4128%0.283SS..Iπ-helixtrans-64.2-54.8-178.5-68.4167000110.1A128 S129 L137A128-I132 WeakPolarHBondContact O-CB 3.26Å; A128-I132 VanDerWaalsContact O-CG1 3.24Å; A128-I132 WeakPolarHBondContact O-CG1 3.43Å; A128-I132 PolarHBondContact O-N 3.22Å; S129-I132 PolarHBondContact O-N 3.48Å; I132-L137 HydrophobicContact CG2-CD1 4.02Å; I132-L137 HydrophobicContact CG2-CG 4.03Å; I132-L137 WeakPolarHBondContact O-CB 3.41Å; I132-L137 VanDerWaalsContact O-CG 3.28Å; I132-L137 WeakPolarHBondContact O-CG 3.26Å; I132-L137 PolarHBondContact O-N 3.45Å
133V97.5Very high97.6Very high85 Ų8549.8 Ų49.852%0.51527%0.267SS..Iπ-helixtrans-73.6-42.7-170.2178.10000112.2S129 P138S129-V133 WeakPolarHBondContact O-CB 3.08Å; S129-V133 WeakPolarHBondContact O-CG2 3.41Å; S129-V133 PolarHBondContact O-N 2.88Å; V133-P138 WeakPolarHBondContact O-CD 3.28Å; V133-P138 WeakPolarHBondContact O-CG 3.47Å
134L97.9Very high97.4Very high39 Ų3951.1 Ų51.120%0.20427%0.271CS..Iπ-helixtrans-97.1-31.6-171.8-55.6178.1000112.9N57 I58 Y61 S130N57-L134 HydrophobicContact CB-CB 4.22Å; N57-L134 HydrophobicContact CB-CD1 4.37Å; I58-L134 HydrophobicContact CG1-CD1 3.71Å; Y61-L134 HydrophobicContact CD1-CD2 4.25Å; Y61-L134 HydrophobicContact CD2-CB 4.31Å; Y61-L134 HydrophobicContact CD2-CD2 4.11Å; Y61-L134 WeakPolarHBondContact CD2-O 3.36Å; Y61-L134 HydrophobicContact CE2-CD2 4.48Å; Y61-L134 HydrophobicContact CG-CB 4.34Å; Y61-L134 HydrophobicContact CG-CD2 3.98Å; S130-L134 VanDerWaalsContact O-CB 3.23Å; S130-L134 WeakPolarHBondContact O-CB 3.43Å; S130-L134 PolarHBondContact O-N 3.09Å
135A97.7Very high97.3Very high3 Ų356.1 Ų56.13%0.02528%0.284CS..Iπ-helixtrans-105.3-40.4-171.600000113.8P106 M131 K139P106-A135 HydrophobicContact CB-CB 3.65Å; P106-A135 HydrophobicContact CG-CB 3.86Å; M131-A135 CarbonylContact O-C 3.51Å; M131-A135 WeakPolarHBondContact O-CA 3.41Å; M131-A135 VanDerWaalsContact O-CB 3.26Å; M131-A135 WeakPolarHBondContact O-CB 3.3Å; M131-A135 PolarHBondContact O-N 3.42Å; A135-K139 WeakPolarHBondContact O-CD 3.47Å; A135-K139 WeakPolarHBondContact O-CE 3.06Å; A135-K139 VanDerWaalsContact O-CG 3.31Å; A135-K139 WeakPolarHBondContact O-CG 3.25Å; A135-K139 PolarHBondContact O-NZ 3.45Å
136V97.8Very high97.2Very high32 Ų3252.7 Ų52.719%0.19427%0.274CS..Iπ-helixtrans-95.1-55.6-172.81760000112.2M131 K139 L140M131-V136 HydrophobicContact CG-CG2 4.11Å; M131-V136 PolarHBondContact O-N 3.25Å; V136-K139 WeakPolarHBondContact O-CB 3.31Å; V136-K139 PolarHBondContact O-N 2.94Å; V136-L140 HydrophobicContact CG1-CD2 4.49Å; V136-L140 PolarHBondContact O-N 3.35Å
137L97Very high97.1Very high68 Ų6852.5 Ų52.536%0.35627%0.27SS..G310 helixtrans-53.9-49.2-174.7-72.9178.2000112.5I132 K139 L140 F143I132-L137 HydrophobicContact CG2-CD1 4.02Å; I132-L137 HydrophobicContact CG2-CG 4.03Å; I132-L137 WeakPolarHBondContact O-CB 3.41Å; I132-L137 VanDerWaalsContact O-CG 3.28Å; I132-L137 WeakPolarHBondContact O-CG 3.26Å; I132-L137 PolarHBondContact O-N 3.45Å; L137-K139 PolarHBondContact O-N 3.39Å; L137-L140 HydrophobicContact CD2-CD1 3.91Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-L140 VanDerWaalsContact O-N 3.11Å; L137-F143 HydrophobicContact CB-CE2 4.48Å; L137-F143 HydrophobicContact CD2-CE2 4.17Å; L137-F143 WeakPolarHBondContact O-CD2 3.4Å
138P96.8Very high96.8Very high28 Ų2858.7 Ų58.718%0.18230%0.297CS..G310 helixtrans-66.5-13.7-177.9-21.435.9000114.4Y61 H65 V133Y61-P138 HydrophobicContact CD2-CG 3.97Å; Y61-P138 HydrophobicContact CE2-CB 4.43Å; Y61-P138 HydrophobicContact CE2-CG 3.76Å; H65-P138 HydrophobicContact CB-CB 4.21Å; H65-P138 PolarHBondContact CE1-O 2.91Å; H65-P138 VanDerWaalsContact CE1-O 3.29Å; H65-P138 WeakPolarHBondContact ND1-CB 3.27Å; V133-P138 WeakPolarHBondContact O-CD 3.28Å; V133-P138 WeakPolarHBondContact O-CG 3.47Å
139K97.4Very high96.6Very high13 Ų1367 Ų676%0.05733%0.329CS..G310 helixtrans-92.4-10.3178.6-66.1-173.8179.758.80113.4W86 L102 L103 A135 V136 L137W86-K139 HydrophobicContact CD2-CG 4.19Å; W86-K139 HydrophobicContact CE3-CG 4.35Å; W86-K139 HydrophobicContact CH2-CB 4.1Å; W86-K139 HydrophobicContact CH2-CD 3.58Å; W86-K139 HydrophobicContact CH2-CG 3.73Å; W86-K139 HydrophobicContact CZ2-CB 3.55Å; W86-K139 HydrophobicContact CZ2-CD 3.94Å; W86-K139 HydrophobicContact CZ2-CG 3.55Å; W86-K139 HydrophobicContact CZ3-CD 3.93Å; W86-K139 HydrophobicContact CZ3-CG 4.13Å; L102-K139 WeakPolarHBondContact O-CE 3Å; L103-K139 HydrophobicContact CB-CD 4.25Å; L103-K139 HydrophobicContact CD1-CB 4.04Å; L103-K139 HydrophobicContact CD1-CD 3.9Å; A135-K139 WeakPolarHBondContact O-CD 3.47Å; A135-K139 WeakPolarHBondContact O-CE 3.06Å; A135-K139 VanDerWaalsContact O-CG 3.31Å; A135-K139 WeakPolarHBondContact O-CG 3.25Å; A135-K139 PolarHBondContact O-NZ 3.45Å; V136-K139 WeakPolarHBondContact O-CB 3.31Å; V136-K139 PolarHBondContact O-N 2.94Å; L137-K139 PolarHBondContact O-N 3.39Å
140L96.7Very high96.4Very high59 Ų5966.7 Ų66.731%0.30933%0.333SS..SBendtrans-70.3136.6179.5-59.9174.8000110.1V136 L137 Q142 F143V136-L140 HydrophobicContact CG1-CD2 4.49Å; V136-L140 PolarHBondContact O-N 3.35Å; L137-L140 HydrophobicContact CD2-CD1 3.91Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-L140 VanDerWaalsContact O-N 3.11Å; L140-Q142 PolarHBondContact O-N 2.56Å; L140-F143 HydrophobicContact CB-CD2 4.01Å; L140-F143 HydrophobicContact CD1-CD2 4.42Å; L140-F143 HydrophobicContact CD1-CE2 4.13Å; L140-F143 PolarHBondContact O-N 3.08Å
141P96.6Very high96.2Very high45 Ų4571 Ų7129%0.29235%0.354SS..G310 helixtrans-56.1-28.5-178.5-27.434.7000114.4Q94 F95 F143 Y144Q94-P141 HydrophobicContact CB-CB 4.38Å; Q94-P141 HydrophobicContact CB-CG 4.23Å; Q94-P141 HydrophobicContact CG-CB 4.2Å; F95-P141 HydrophobicContact CE1-CG 4.22Å; F95-P141 HydrophobicContact CE2-CG 4.35Å; F95-P141 HydrophobicContact CZ-CG 3.76Å; P141-F143 PolarHBondContact O-N 3.08Å; P141-Y144 VanDerWaalsContact O-CB 3.31Å; P141-Y144 WeakPolarHBondContact O-CB 3.05Å; P141-Y144 PolarHBondContact O-N 3.25Å; P141-Y144 VanDerWaalsContact O-N 3.14Å
142Q95.7Very high96Very high141 Ų14171.4 Ų71.466%0.65936%0.357SS*.G310 helixtrans-63.2-20.4177.7-62.886.6-19.800113.4L140L140-Q142 PolarHBondContact O-N 2.56Å
143F95.7Very high95.7Very high59 Ų5974.9 Ų74.926%0.25937%0.365SS..G310 helixtrans-99.57.1178-65.9-64.2000113.6L137 L140 P141 R145 V146 F148L137-F143 HydrophobicContact CB-CE2 4.48Å; L137-F143 HydrophobicContact CD2-CE2 4.17Å; L137-F143 WeakPolarHBondContact O-CD2 3.4Å; L140-F143 HydrophobicContact CB-CD2 4.01Å; L140-F143 HydrophobicContact CD1-CD2 4.42Å; L140-F143 HydrophobicContact CD1-CE2 4.13Å; L140-F143 PolarHBondContact O-N 3.08Å; P141-F143 PolarHBondContact O-N 3.08Å; F143-R145 PolarHBondContact O-N 3.24Å; F143-V146 PolarHBondContact O-N 2.91Å; F143-V146 VanDerWaalsContact O-N 3.12Å; F143-F148 AromaticContact CD1-CE2 3.72Å; F143-F148 HydrophobicContact CD1-CE2 3.72Å; F143-F148 AromaticContact CD1-CZ 3.75Å; F143-F148 HydrophobicContact CD1-CZ 3.75Å; F143-F148 HydrophobicContact CE1-CE1 4.17Å; F143-F148 AromaticContact CE1-CE2 3.64Å; F143-F148 HydrophobicContact CE1-CE2 3.64Å; F143-F148 AromaticContact CE1-CZ 3.17Å; F143-F148 HydrophobicContact CE1-CZ 3.17Å; F143-F148 HydrophobicContact CZ-CE2 4.4Å; F143-F148 AromaticContact CZ-CZ 3.86Å; F143-F148 HydrophobicContact CZ-CZ 3.86Å
144Y96Very high95.3Very high63 Ų6381.8 Ų81.825%0.24738%0.382CS..THydrogen-bonded Turntrans-59.6121.9176.6-174.9-106.6000111.4E87 Q94 P141 V146E87-Y144 HydrophobicContact CB-CD2 4.35Å; E87-Y144 HydrophobicContact CB-CE2 3.79Å; E87-Y144 HydrophobicContact CG-CD2 4.07Å; E87-Y144 HydrophobicContact CG-CE2 4.02Å; E87-Y144 PolarHBondContact O-OH 2.82Å; Q94-Y144 VanDerWaalsContact NE2-CD2 3.26Å; P141-Y144 VanDerWaalsContact O-CB 3.31Å; P141-Y144 WeakPolarHBondContact O-CB 3.05Å; P141-Y144 PolarHBondContact O-N 3.25Å; P141-Y144 VanDerWaalsContact O-N 3.14Å; Y144-V146 PolarHBondContact O-N 3.02Å; Y144-V146 VanDerWaalsContact O-N 3.13Å
145R95Very high95.2Very high148 Ų14884 Ų8456%0.55839%0.391SS*.THydrogen-bonded Turntrans6015.1-177.2-59.4-179.2-176-1611.5115L83 E87 F143L83-R145 HydrophobicContact CD2-CG 3.92Å; E87-R145 WeakPolarHBondContact OE1-CA 3.28Å; E87-R145 PolarHBondContact OE1-N 2.79Å; F143-R145 PolarHBondContact O-N 3.24Å
146V96.1Very high95Very high73 Ų7388.2 Ų88.244%0.44241%0.41SS..  trans-92.2137.6175179.80000109.4F143 Y144F143-V146 PolarHBondContact O-N 2.91Å; F143-V146 VanDerWaalsContact O-N 3.12Å; Y144-V146 PolarHBondContact O-N 3.02Å; Y144-V146 VanDerWaalsContact O-N 3.13Å
147R96.4Very high94.9Very high57 Ų5791.3 Ų91.322%0.21542%0.422CS..  trans-127.5110.1178.1-59.1-66-176.6-88.3-4.9109.2V82 E87 F149 G150 N152V82-R147 PolarHBondContact O-NH2 2.9Å; E87-R147 IonicContact OE1-CZ 3.43Å; E87-R147 IonicContact OE1-NH1 3.26Å; E87-R147 PolarHBondContact OE1-NH1 3.14Å; E87-R147 IonicContact OE1-NH2 3.28Å; E87-R147 PolarHBondContact OE1-NH2 3.32Å; E87-R147 IonicContact OE2-CZ 3.61Å; E87-R147 IonicContact OE2-NH1 3.77Å; E87-R147 IonicContact OE2-NH2 2.7Å; E87-R147 PolarHBondContact OE2-NH2 3.09Å; R147-F149 PolarHBondContact O-N 3.24Å; R147-G150 PolarHBondContact O-N 3.19Å; R147-N152 VanDerWaalsContact CD-O 3.29Å; R147-N152 WeakPolarHBondContact CD-O 3.29Å; R147-N152 PolarHBondContact NE-O 3.35Å
148F92.1Very high94.8Very high130 Ų13092.7 Ų92.757%0.5743%0.426SS*.G310 helixtrans-61.8131.1178.6-73.7-80.6000111.1F143 G150 I151F143-F148 AromaticContact CD1-CE2 3.72Å; F143-F148 HydrophobicContact CD1-CE2 3.72Å; F143-F148 AromaticContact CD1-CZ 3.75Å; F143-F148 HydrophobicContact CD1-CZ 3.75Å; F143-F148 HydrophobicContact CE1-CE1 4.17Å; F143-F148 AromaticContact CE1-CE2 3.64Å; F143-F148 HydrophobicContact CE1-CE2 3.64Å; F143-F148 AromaticContact CE1-CZ 3.17Å; F143-F148 HydrophobicContact CE1-CZ 3.17Å; F143-F148 HydrophobicContact CZ-CE2 4.4Å; F143-F148 AromaticContact CZ-CZ 3.86Å; F143-F148 HydrophobicContact CZ-CZ 3.86Å; F148-G150 PolarHBondContact O-N 3.28Å; F148-I151 PolarHBondContact O-N 3.07Å
149F94.6Very high94.6Very high198 Ų19896.8 Ų96.887%0.86844%0.441SS*.G310 helixtrans53.816.7-179.7-51.4-68.3000115.2R147 I151R147-F149 PolarHBondContact O-N 3.24Å; F149-I151 HydrophobicContact CB-CD1 4.33Å; F149-I151 HydrophobicContact CB-CG1 4.29Å; F149-I151 PolarHBondContact O-N 3.33Å
150G92.7Very high94.5Very high40 Ų40102.3 Ų102.341%0.41247%0.467SS..G310 helixtrans70.88-17400000114.9R147 F148 R153R147-G150 PolarHBondContact O-N 3.19Å; F148-G150 PolarHBondContact O-N 3.28Å; G150-R153 VanDerWaalsContact O-CB 3.28Å; G150-R153 WeakPolarHBondContact O-CB 3.2Å; G150-R153 PolarHBondContact O-N 3.18Å
151I94.4Very high94.3Very high104 Ų104105.4 Ų105.453%0.53348%0.478SS..THydrogen-bonded Turntrans-66.6136.2174.9-60.7171.7000108.7W66 F148 F149 R153W66-I151 HydrophobicContact CH2-CG2 4Å; W66-I151 HydrophobicContact CZ3-CG2 4.34Å; F148-I151 PolarHBondContact O-N 3.07Å; F149-I151 HydrophobicContact CB-CD1 4.33Å; F149-I151 HydrophobicContact CB-CG1 4.29Å; F149-I151 PolarHBondContact O-N 3.33Å; I151-R153 PolarHBondContact O-N 3.31Å
152N93.9Very high94.1Very high35 Ų35110.1 Ų110.119%0.18749%0.492CS..THydrogen-bonded Turntrans54.240.5-176-162.524.7000112W66 K68 R147W66-N152 PolarHBondContact O-ND2 2.96Å; K68-N152 WeakPolarHBondContact CE-O 3.46Å; K68-N152 VanDerWaalsContact CE-OD1 3.29Å; K68-N152 WeakPolarHBondContact CE-OD1 3.49Å; K68-N152 VanDerWaalsContact NZ-C 3.33Å; K68-N152 PolarHBondContact NZ-O 3.02Å; R147-N152 VanDerWaalsContact CD-O 3.29Å; R147-N152 WeakPolarHBondContact CD-O 3.29Å; R147-N152 PolarHBondContact NE-O 3.35Å
153R92.2Very high94Very high152 Ų152107.5 Ų107.557%0.57448%0.478SS*.  trans-78.3-40.1175.1-176.7175.8-176.21722.3112.6K68 G150 I151K68-R153 PolarHBondContact NZ-O 2.94Å; G150-R153 VanDerWaalsContact O-CB 3.28Å; G150-R153 WeakPolarHBondContact O-CB 3.2Å; G150-R153 PolarHBondContact O-N 3.18Å; I151-R153 PolarHBondContact O-N 3.31Å
154W88.7Confident93.8Very high231 Ų231111.9 Ų111.988%0.87550%0.498SS*.  trans-101.90177.9-50.1110.8000108.4K68K68-W154 PolarHBondContact NZ-OXT 2.88Å

Retrieved 154 of 154 residues in 341.9 ms (Link to these results)

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