A0A077ZHS6_TRITR Loading...

arginine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZHS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 563 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
1M90.5Very high91.5Very high33 Ų3361.9 Ų61.916%0.16340%0.396CS..  0-58.80-70.6179.976.800112.5A3 A4 G5 A6 C10 P12 M30 V33 V48M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.14Å; M1-A4 CarbonylContact O-C 3.59Å; M1-A4 WeakPolarHBondContact O-CA 3.44Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 3.05Å; M1-G5 PolarHBondContact O-N 3.13Å; M1-A6 HydrophobicContact CB-CB 3.95Å; M1-A6 VanDerWaalsContact O-CB 3.29Å; M1-A6 WeakPolarHBondContact O-CB 2.61Å; M1-A6 PolarHBondContact O-N 3.03Å; M1-A6 VanDerWaalsContact O-N 3.17Å; M1-C10 HydrophobicContact CE-CB 4.41Å; M1-P12 WeakPolarHBondContact SD-CA 3.48Å; M1-P12 HydrophobicContact SD-CB 3.65Å; M1-M30 HydrophobicContact CE-CE 4.24Å; M1-M30 HydrophobicContact CE-SD 3.81Å; M1-M30 HydrophobicContact CG-CE 3.66Å; M1-M30 HydrophobicContact CG-SD 3.99Å; M1-M30 HydrophobicContact SD-CE 3.59Å; M1-M30 VanDerWaalsContact SD-CE 3.59Å; M1-M30 HydrophobicContact SD-SD 3.96Å; M1-V33 HydrophobicContact CE-CB 3.72Å; M1-V33 HydrophobicContact CE-CG1 3.92Å; M1-V33 HydrophobicContact CE-CG2 3.44Å; M1-V33 VanDerWaalsContact CE-CG2 3.44Å; M1-V48 HydrophobicContact CB-CG2 4.37Å; M1-V48 HydrophobicContact CG-CG1 4.29Å; M1-V48 HydrophobicContact CG-CG2 3.72Å
2I93.1Very high91.6Very high105 Ų10561.8 Ų61.854%0.53840%0.396SS..G310 helixtrans-56.3-45.9179.2-61.2171.6000111.7A4 G5I2-A4 PolarHBondContact O-N 2.89Å; I2-A4 VanDerWaalsContact O-N 3.16Å; I2-G5 PolarHBondContact O-N 3.39Å
3A93Very high91.7Very high73 Ų7362.9 Ų62.960%0.60339%0.393SS*.G310 helixtrans-59.2-25.7174.400000113.9M1 G5 H51M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.14Å; A3-G5 VanDerWaalsContact C-N 3.28Å; A3-G5 PolarHBondContact O-N 3.43Å; A3-H51 HydrophobicContact CB-CB 3.99Å
4A92.3Very high91.9Very high11 Ų1163.9 Ų63.99%0.09140%0.398CS..G310 helixtrans-87.711.2175.100000112.9M1 I2 L44 Q47 V48M1-A4 CarbonylContact O-C 3.59Å; M1-A4 WeakPolarHBondContact O-CA 3.44Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 3.05Å; I2-A4 PolarHBondContact O-N 2.89Å; I2-A4 VanDerWaalsContact O-N 3.16Å; A4-L44 HydrophobicContact CB-CD1 4.29Å; A4-Q47 HydrophobicContact CB-CB 3.99Å; A4-V48 HydrophobicContact CB-CG2 3.87Å
5G91.2Very high92Very high49 Ų4970.6 Ų70.651%0.50541%0.413SS..THydrogen-bonded Turntrans92.27.4177.400000115.5M1 I2 A3 L37M1-G5 PolarHBondContact O-N 3.13Å; I2-G5 PolarHBondContact O-N 3.39Å; A3-G5 VanDerWaalsContact C-N 3.28Å; A3-G5 PolarHBondContact O-N 3.43Å; G5-L37 WeakPolarHBondContact O-CD2 3.46Å
6A91.6Very high92.2Very high7 Ų770.1 Ų70.16%0.05841%0.405CS..  trans-68.4149.1173.700000112M1 C10 V33M1-A6 HydrophobicContact CB-CB 3.95Å; M1-A6 VanDerWaalsContact O-CB 3.29Å; M1-A6 WeakPolarHBondContact O-CB 2.61Å; M1-A6 PolarHBondContact O-N 3.03Å; M1-A6 VanDerWaalsContact O-N 3.17Å; A6-C10 HydrophobicContact CB-CB 3.94Å; A6-C10 VanDerWaalsContact CB-SG 3.55Å; A6-V33 HydrophobicContact CB-CG1 3.55Å
7P90.8Very high92.3Very high43 Ų4367.3 Ų67.328%0.27939%0.391SS..  trans-54.5151.4171.4-27.437.5000112.7D9 C10P7-D9 WeakPolarHBondContact CB-OD1 3.43Å; P7-D9 PolarHBondContact O-N 2.96Å; P7-C10 WeakPolarHBondContact O-CB 3.18Å; P7-C10 PolarHBondContact O-N 2.85Å; P7-C10 PolarHBondContact O-SG 2.98Å
8A91.3Very high92.1Very high88 Ų8869.1 Ų69.173%0.72741%0.414SS*.THydrogen-bonded Turntrans-63.1-26.4-178.900000113.5C10A8-C10 VanDerWaalsContact C-N 3.25Å; A8-C10 PolarHBondContact O-N 3.49Å
9D90.7Very high92Very high119 Ų11972.1 Ų72.164%0.63642%0.421SS*.THydrogen-bonded Turntrans-84.410.1175.468.6-44000113.1P7 K36P7-D9 WeakPolarHBondContact CB-OD1 3.43Å; P7-D9 PolarHBondContact O-N 2.96Å; D9-K36 IonicContact OD2-NZ 3.8Å
10C90.8Very high91.9Very high20 Ų2073.1 Ų73.114%0.13543%0.428CS..  trans-71.7137.4-179.9790000111.9M1 A6 P7 A8 V33M1-C10 HydrophobicContact CE-CB 4.41Å; A6-C10 HydrophobicContact CB-CB 3.94Å; A6-C10 VanDerWaalsContact CB-SG 3.55Å; P7-C10 WeakPolarHBondContact O-CB 3.18Å; P7-C10 PolarHBondContact O-N 2.85Å; P7-C10 PolarHBondContact O-SG 2.98Å; A8-C10 VanDerWaalsContact C-N 3.25Å; A8-C10 PolarHBondContact O-N 3.49Å; C10-V33 HydrophobicContact CB-CG1 4.44Å; C10-V33 HydrophobicContact CB-CG2 3.83Å
11E91Very high91.9Very high133 Ų13375.7 Ų75.762%0.62144%0.437SS*.  trans-104.9128.8173.2-68.1-175.4177.900110.6Q13E11-Q13 HydrophobicContact CB-CG 4.08Å; E11-Q13 PolarHBondContact O-N 3.23Å
12P92.4Very high92Very high60 Ų6077.2 Ų77.239%0.3944%0.442SS..  trans-69.5-17.3173.829.3-34.7000113.2M1 V14 N28 G29M1-P12 WeakPolarHBondContact SD-CA 3.48Å; M1-P12 HydrophobicContact SD-CB 3.65Å; P12-V14 VanDerWaalsContact C-N 3.29Å; P12-V14 HydrophobicContact CB-CG2 3.97Å; P12-V14 HydrophobicContact CG-CG2 4.06Å; P12-V14 PolarHBondContact O-N 3.44Å; P12-N28 PolarHBondContact O-N 3.49Å; P12-G29 WeakPolarHBondContact O-CA 3.47Å; P12-G29 PolarHBondContact O-N 3.38Å
13Q93.2Very high92.1Very high77 Ų7772.4 Ų72.436%0.3642%0.419SS..  trans49.350.9-177.3-56.3-175.8-23.900111.5E11 R15 N28E11-Q13 HydrophobicContact CB-CG 4.08Å; E11-Q13 PolarHBondContact O-N 3.23Å; Q13-R15 PolarHBondContact O-N 3.38Å; Q13-N28 HydrophobicContact CB-CB 4.38Å; Q13-N28 PolarHBondContact O-N 2.96Å
14V94.9Very high92.2Very high76 Ų7670.6 Ų70.646%0.46140%0.399SS..EExtended strand (participates in β ladder)trans-69.4126.2174-175.40000108.3P12 Y25 Q26 A27P12-V14 VanDerWaalsContact C-N 3.29Å; P12-V14 HydrophobicContact CB-CG2 3.97Å; P12-V14 HydrophobicContact CG-CG2 4.06Å; P12-V14 PolarHBondContact O-N 3.44Å; V14-Y25 HydrophobicContact CG1-CD1 3.98Å; V14-Y25 HydrophobicContact CG1-CG 4.38Å; V14-Q26 WeakPolarHBondContact CA-O 3.5Å; V14-A27 HydrophobicContact CG2-CB 4.12Å
15R93.7Very high92.5Very high165 Ų16571.7 Ų71.762%0.62340%0.401SS*.EExtended strand (participates in β ladder)trans-138.3157.6179.4-62.6-174.2-177.9-111.7-0.9109.8Q13 S17 Y25 Q26Q13-R15 PolarHBondContact O-N 3.38Å; R15-S17 PolarHBondContact O-N 3.16Å; R15-Y25 CarbonylContact O-C 3.46Å; R15-Y25 VanDerWaalsContact O-CA 3.31Å; R15-Y25 WeakPolarHBondContact O-CA 3.34Å; R15-Q26 PolarHBondContact N-O 3.5Å; R15-Q26 PolarHBondContact O-N 2.89Å
16Q94Very high92.7Very high62 Ų6270.7 Ų70.729%0.2938%0.383SS..EExtended strand (participates in β ladder)trans-54.5134.4167.8-59.3177.8500109.6Y25 Q488 E491Q16-Y25 HydrophobicContact CG-CE1 4.15Å; Q16-Q488 HydrophobicContact CG-CG 4.24Å; Q16-E491 VanDerWaalsContact CG-OE2 3.31Å; Q16-E491 WeakPolarHBondContact CG-OE2 3.37Å; Q16-E491 PolarHBondContact NE2-OE2 2.89Å
17S94.1Very high93Very high23 Ų2370.7 Ų70.716%0.16138%0.383CS..  trans-68.2135.6179.1-80.50000111.2R15 K19 F22 G23 D24 Y25 Q26R15-S17 PolarHBondContact O-N 3.16Å; S17-K19 PolarHBondContact O-N 2.91Å; S17-F22 PolarHBondContact OG-O 2.63Å; S17-F22 VanDerWaalsContact OG-O 3.06Å; S17-G23 WeakPolarHBondContact CB-O 3.3Å; S17-G23 PolarHBondContact OG-O 3.46Å; S17-D24 PolarHBondContact N-O 3.33Å; S17-Y25 PolarHBondContact OG-O 3.36Å; S17-Q26 PolarHBondContact OG-N 2.87Å
18A88.8Confident93.1Very high99 Ų9970.4 Ų70.482%0.81838%0.379SS*.SBendtrans-69.8-17.6179.800000113.8
19K91.2Very high93.3Very high126 Ų12666.3 Ų66.355%0.54835%0.345SS..SBendtrans-146.7142.8-179.9-61.8-175.5179.2-177.80109.7S17 Q21 F22S17-K19 PolarHBondContact O-N 2.91Å; K19-Q21 HydrophobicContact CB-CG 4.02Å; K19-Q21 PolarHBondContact O-N 2.94Å; K19-Q21 VanDerWaalsContact O-N 3.15Å; K19-F22 HydrophobicContact CB-CD2 3.92Å; K19-F22 HydrophobicContact CB-CE2 4.15Å; K19-F22 HydrophobicContact CD-CE2 4.07Å; K19-F22 HydrophobicContact CG-CD2 4.47Å; K19-F22 HydrophobicContact CG-CE2 4.3Å; K19-F22 PolarHBondContact O-N 2.81Å
20V88.9Confident93.5Very high92 Ų9260.8 Ų60.856%0.55832%0.316SS*.G310 helixtrans-54.3-35.4179.2-178.80000113F22 G23 Q481V20-F22 PolarHBondContact O-N 2.88Å; V20-F22 VanDerWaalsContact O-N 3.07Å; V20-G23 PolarHBondContact O-N 3.02Å; V20-Q481 HydrophobicContact CG1-CG 4.45Å
21Q91.7Very high93.5Very high129 Ų12964 Ų6460%0.60333%0.33SS*.G310 helixtrans-63.7-13.8178.169.1-178.139.800114.3K19K19-Q21 HydrophobicContact CB-CG 4.02Å; K19-Q21 PolarHBondContact O-N 2.94Å; K19-Q21 VanDerWaalsContact O-N 3.15Å
22F93.7Very high93.6Very high64 Ų6460.1 Ų60.128%0.28132%0.321SS..G310 helixtrans-100.813.4176-54.7-40.1000112.4S17 K19 V20 N70S17-F22 PolarHBondContact OG-O 2.63Å; S17-F22 VanDerWaalsContact OG-O 3.06Å; K19-F22 HydrophobicContact CB-CD2 3.92Å; K19-F22 HydrophobicContact CB-CE2 4.15Å; K19-F22 HydrophobicContact CD-CE2 4.07Å; K19-F22 HydrophobicContact CG-CD2 4.47Å; K19-F22 HydrophobicContact CG-CE2 4.3Å; K19-F22 PolarHBondContact O-N 2.81Å; V20-F22 PolarHBondContact O-N 2.88Å; V20-F22 VanDerWaalsContact O-N 3.07Å; F22-N70 WeakPolarHBondContact O-CB 3.4Å; F22-N70 VanDerWaalsContact O-CG 3.27Å
23G94.2Very high93.6Very high5 Ų557.6 Ų57.65%0.05230%0.304CS..  trans83.4-166.3-175.900000112.8S17 V20 F72S17-G23 WeakPolarHBondContact CB-O 3.3Å; S17-G23 PolarHBondContact OG-O 3.46Å; V20-G23 PolarHBondContact O-N 3.02Å; G23-F72 VanDerWaalsContact CA-CD1 3.49Å; G23-F72 VanDerWaalsContact N-CZ 3.34Å
24D96.2Very high93.7Very high34 Ų3453.9 Ų53.918%0.18229%0.287CS..SBendtrans-85.1-35.5179.3-54.3-70.1000111.1S17 I71 F72 L73S17-D24 PolarHBondContact N-O 3.33Å; D24-I71 PolarHBondContact N-O 3.38Å; D24-F72 WeakPolarHBondContact OD2-CA 3.41Å; D24-L73 HydrophobicContact CB-CD1 4.1Å; D24-L73 HydrophobicContact CB-CG 4Å; D24-L73 PolarHBondContact OD2-N 3.4Å
25Y97.6Very high93.6Very high35 Ų3559 Ų5914%0.13730%0.303CS..EExtended strand (participates in β ladder)trans-132.7154.5178.1-68-93.7000111.9V14 R15 Q16 S17 I71 L73 Q488 E491V14-Y25 HydrophobicContact CG1-CD1 3.98Å; V14-Y25 HydrophobicContact CG1-CG 4.38Å; R15-Y25 CarbonylContact O-C 3.46Å; R15-Y25 VanDerWaalsContact O-CA 3.31Å; R15-Y25 WeakPolarHBondContact O-CA 3.34Å; Q16-Y25 HydrophobicContact CG-CE1 4.15Å; S17-Y25 PolarHBondContact OG-O 3.36Å; Y25-I71 PolarHBondContact N-O 2.96Å; Y25-I71 PolarHBondContact O-N 3.24Å; Y25-L73 HydrophobicContact CD2-CD1 4.34Å; Y25-L73 HydrophobicContact CD2-CG 4.5Å; Y25-L73 HydrophobicContact CE2-CD1 3.97Å; Y25-Q488 WeakPolarHBondContact OH-CG 3.43Å; Y25-E491 VanDerWaalsContact CE1-OE1 3.22Å; Y25-E491 WeakPolarHBondContact CE1-OE1 3.27Å; Y25-E491 VanDerWaalsContact CZ-OE1 3.29Å; Y25-E491 PolarHBondContact OH-OE1 3.15Å
26Q96.7Very high93.4Very high27 Ų2757.8 Ų57.813%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-135.6130.9174.7-170.5178.97300110.6V14 R15 S17 N28 F68 I69 N70V14-Q26 WeakPolarHBondContact CA-O 3.5Å; R15-Q26 PolarHBondContact N-O 3.5Å; R15-Q26 PolarHBondContact O-N 2.89Å; S17-Q26 PolarHBondContact OG-N 2.87Å; Q26-N28 VanDerWaalsContact CG-OD1 3.29Å; Q26-N28 WeakPolarHBondContact CG-OD1 3.46Å; Q26-N28 PolarHBondContact OE1-OD1 3.35Å; Q26-F68 HydrophobicContact CG-CB 3.97Å; Q26-I69 CarbonylContact C-O 3.42Å; Q26-I69 VanDerWaalsContact CA-O 3.3Å; Q26-I69 WeakPolarHBondContact CA-O 3.4Å; Q26-N70 PolarHBondContact NE2-OD1 2.86Å
27A96.1Very high93.4Very high7 Ų757.6 Ų57.66%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-93.3118.7172.200000110.7V14 I69V14-A27 HydrophobicContact CG2-CB 4.12Å; A27-I69 HydrophobicContact CB-CB 4.19Å; A27-I69 PolarHBondContact N-O 2.96Å; A27-I69 PolarHBondContact O-N 3.22Å; A27-I69 VanDerWaalsContact O-N 3.12Å
28N94.6Very high93.3Very high38 Ų3860 Ų6020%0.20333%0.332CS..  trans-106.8-9-172.1-69-23.8000114.7P12 Q13 Q26 M30 F68P12-N28 PolarHBondContact O-N 3.49Å; Q13-N28 HydrophobicContact CB-CB 4.38Å; Q13-N28 PolarHBondContact O-N 2.96Å; Q26-N28 VanDerWaalsContact CG-OD1 3.29Å; Q26-N28 WeakPolarHBondContact CG-OD1 3.46Å; Q26-N28 PolarHBondContact OE1-OD1 3.35Å; N28-M30 PolarHBondContact O-N 2.81Å; N28-M30 VanDerWaalsContact O-N 3.12Å; N28-F68 HydrophobicContact CB-CD1 4.27Å; N28-F68 HydrophobicContact CB-CE1 4.34Å; N28-F68 WeakPolarHBondContact OD1-CD1 3.44Å
29G93.9Very high93.6Very high1 Ų157.8 Ų57.81%0.0131%0.305CS..THydrogen-bonded Turntrans-67.2-14.2-172.400000115.3P12 M31 A32 V33P12-G29 WeakPolarHBondContact O-CA 3.47Å; P12-G29 PolarHBondContact O-N 3.38Å; G29-M31 VanDerWaalsContact C-N 3.27Å; G29-M31 PolarHBondContact O-N 2.96Å; G29-A32 PolarHBondContact O-N 2.92Å; G29-V33 WeakPolarHBondContact O-CG2 3.4Å; G29-V33 PolarHBondContact O-N 2.89Å
30M94.7Very high93.8Very high3 Ų354.3 Ų54.32%0.01530%0.299CS..Hα-helixtrans-59.6-36.1-175.4-56.4-51.6157.100112.7M1 N28 A34 L44 A45 V48 G67 I69M1-M30 HydrophobicContact CE-CE 4.24Å; M1-M30 HydrophobicContact CE-SD 3.81Å; M1-M30 HydrophobicContact CG-CE 3.66Å; M1-M30 HydrophobicContact CG-SD 3.99Å; M1-M30 HydrophobicContact SD-CE 3.59Å; M1-M30 VanDerWaalsContact SD-CE 3.59Å; M1-M30 HydrophobicContact SD-SD 3.96Å; N28-M30 PolarHBondContact O-N 2.81Å; N28-M30 VanDerWaalsContact O-N 3.12Å; M30-A34 WeakPolarHBondContact O-CB 3.35Å; M30-A34 PolarHBondContact O-N 3.12Å; M30-L44 HydrophobicContact CB-CD2 4.48Å; M30-L44 HydrophobicContact SD-CD2 4.17Å; M30-L44 HydrophobicContact SD-CG 4.12Å; M30-A45 HydrophobicContact CG-CB 4.12Å; M30-V48 HydrophobicContact CE-CB 4.21Å; M30-V48 HydrophobicContact CE-CG1 3.86Å; M30-V48 HydrophobicContact CE-CG2 4.05Å; M30-V48 HydrophobicContact SD-CB 4.44Å; M30-V48 HydrophobicContact SD-CG2 3.86Å; M30-G67 WeakPolarHBondContact CB-O 3.48Å; M30-G67 WeakPolarHBondContact CG-O 3.08Å; M30-I69 HydrophobicContact CE-CD1 3.71Å; M30-I69 HydrophobicContact CE-CG1 4.37Å
31M92.1Very high94.1Very high87 Ų8751.7 Ų51.743%0.42928%0.284SS..Hα-helixtrans-64.2-48.1-179.1-67.4-179.563.900112.6G29 V33 K35 P41 P66 F68G29-M31 VanDerWaalsContact C-N 3.27Å; G29-M31 PolarHBondContact O-N 2.96Å; M31-V33 VanDerWaalsContact C-N 3.34Å; M31-K35 PolarHBondContact O-N 3.49Å; M31-P41 HydrophobicContact CG-CB 4.15Å; M31-P41 HydrophobicContact CG-CG 4.37Å; M31-P66 HydrophobicContact CE-CG 4.32Å; M31-P66 HydrophobicContact CG-CG 4.28Å; M31-P66 HydrophobicContact SD-CB 4.42Å; M31-P66 HydrophobicContact SD-CG 3.65Å; M31-F68 HydrophobicContact SD-CE1 3.83Å; M31-F68 HydrophobicContact SD-CZ 4.03Å
32A92.2Very high94.3Very high52 Ų5251.2 Ų51.243%0.4328%0.277SS..Hα-helixtrans-66.1-40.2-179.200000111.2G29 K36G29-A32 PolarHBondContact O-N 2.92Å; A32-K36 PolarHBondContact O-N 2.67Å
33V93.7Very high94.4Very high7 Ų752.6 Ų52.64%0.04228%0.284CS..Hα-helixtrans-75.4-42.2-177.3176.50000112M1 A6 C10 G29 M31 K35 K36 L37 L44M1-V33 HydrophobicContact CE-CB 3.72Å; M1-V33 HydrophobicContact CE-CG1 3.92Å; M1-V33 HydrophobicContact CE-CG2 3.44Å; M1-V33 VanDerWaalsContact CE-CG2 3.44Å; A6-V33 HydrophobicContact CB-CG1 3.55Å; C10-V33 HydrophobicContact CB-CG1 4.44Å; C10-V33 HydrophobicContact CB-CG2 3.83Å; G29-V33 WeakPolarHBondContact O-CG2 3.4Å; G29-V33 PolarHBondContact O-N 2.89Å; M31-V33 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.26Å; V33-K36 WeakPolarHBondContact O-CB 3.3Å; V33-K36 PolarHBondContact O-N 3.1Å; V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-L37 HydrophobicContact CG1-CG 4.49Å; V33-L37 WeakPolarHBondContact O-CG 3.18Å; V33-L37 PolarHBondContact O-N 3.3Å; V33-L44 HydrophobicContact CB-CD2 3.83Å; V33-L44 HydrophobicContact CG1-CD2 3.65Å
34A94.3Very high94.5Very high0 Ų052.3 Ų52.30%028%0.282CS..Hα-helixtrans-62-35.5177.100000112M30 K36 L37 G38 M39 P41 L44M30-A34 WeakPolarHBondContact O-CB 3.35Å; M30-A34 PolarHBondContact O-N 3.12Å; A34-K36 PolarHBondContact O-N 2.97Å; A34-L37 CarbonylContact O-C 3.42Å; A34-L37 PolarHBondContact O-N 2.9Å; A34-G38 PolarHBondContact O-N 3.05Å; A34-M39 CarbonylContact C-O 3.57Å; A34-M39 HydrophobicContact CB-CG 3.96Å; A34-M39 WeakPolarHBondContact CB-O 3.15Å; A34-M39 PolarHBondContact O-N 3.41Å; A34-P41 VanDerWaalsContact CB-CA 3.46Å; A34-P41 HydrophobicContact CB-CB 3.98Å; A34-P41 HydrophobicContact CB-CG 3.96Å; A34-L44 HydrophobicContact CB-CB 4.04Å; A34-L44 HydrophobicContact CB-CD2 3.85Å
35K92.7Very high94.5Very high183 Ų18350.7 Ų50.780%0.79627%0.273SS*.Hα-helixtrans-60.1-42.3172.1-172.3-177.8180-178.20112.1M31 V33 L37 G38M31-K35 PolarHBondContact O-N 3.49Å; V33-K35 PolarHBondContact O-N 3.26Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.48Å; K35-G38 PolarHBondContact O-N 3.08Å
36K90.9Very high94.4Very high139 Ų13953.6 Ų53.660%0.60429%0.288SS*.Hα-helixtrans-66-32.9176.2-69.7-176.7178.1-176.20112.2D9 A32 V33 A34D9-K36 IonicContact OD2-NZ 3.8Å; A32-K36 PolarHBondContact O-N 2.67Å; V33-K36 WeakPolarHBondContact O-CB 3.3Å; V33-K36 PolarHBondContact O-N 3.1Å; A34-K36 PolarHBondContact O-N 2.97Å
37L92.1Very high94.4Very high59 Ų5955.5 Ų55.531%0.30930%0.296SS..Hα-helixtrans-87.6-5.8-179.5-64.4177.1000114.2G5 V33 A34 K35 M39 L44G5-L37 WeakPolarHBondContact O-CD2 3.46Å; V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-L37 HydrophobicContact CG1-CG 4.49Å; V33-L37 WeakPolarHBondContact O-CG 3.18Å; V33-L37 PolarHBondContact O-N 3.3Å; A34-L37 CarbonylContact O-C 3.42Å; A34-L37 PolarHBondContact O-N 2.9Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.48Å; L37-M39 VanDerWaalsContact C-N 3.32Å; L37-M39 HydrophobicContact CB-CE 3.88Å; L37-M39 HydrophobicContact CB-CG 3.91Å; L37-M39 HydrophobicContact CB-SD 4.13Å; L37-M39 HydrophobicContact CD1-CE 3.93Å; L37-M39 HydrophobicContact CD1-SD 3.87Å; L37-M39 PolarHBondContact O-N 3.35Å; L37-L44 HydrophobicContact CD1-CD1 4.14Å; L37-L44 HydrophobicContact CD1-CD2 4.48Å
38G93.6Very high94.4Very high74 Ų7455.5 Ų55.576%0.76330%0.296SS*.THydrogen-bonded Turntrans67.528.7-176.900000114.1A34 K35A34-G38 PolarHBondContact O-N 3.05Å; K35-G38 PolarHBondContact O-N 3.08Å
39M93.6Very high94.4Very high52 Ų5256.3 Ų56.326%0.25630%0.3SS..SBendtrans-121.6165.4-179.663.7179.25400112.2A34 L37 L44A34-M39 CarbonylContact C-O 3.57Å; A34-M39 HydrophobicContact CB-CG 3.96Å; A34-M39 WeakPolarHBondContact CB-O 3.15Å; A34-M39 PolarHBondContact O-N 3.41Å; L37-M39 VanDerWaalsContact C-N 3.32Å; L37-M39 HydrophobicContact CB-CE 3.88Å; L37-M39 HydrophobicContact CB-CG 3.91Å; L37-M39 HydrophobicContact CB-SD 4.13Å; L37-M39 HydrophobicContact CD1-CE 3.93Å; L37-M39 HydrophobicContact CD1-SD 3.87Å; L37-M39 PolarHBondContact O-N 3.35Å; M39-L44 HydrophobicContact CG-CB 4.37Å; M39-L44 HydrophobicContact SD-CB 3.74Å; M39-L44 HydrophobicContact SD-CD1 3.86Å; M39-L44 HydrophobicContact SD-CG 4.27Å
40A95.6Very high94.4Very high52 Ų5261.4 Ų61.443%0.4333%0.331SS..  trans-70.8135.8175.100000110.8R42 Q43 L44A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 3.42Å; A40-Q43 HydrophobicContact CB-CB 4.14Å; A40-Q43 WeakPolarHBondContact O-CB 3.38Å; A40-Q43 PolarHBondContact O-N 2.93Å; A40-L44 PolarHBondContact O-N 3.23Å; A40-L44 VanDerWaalsContact O-N 3.07Å
41P95.9Very high94.4Very high37 Ų3766.5 Ų66.524%0.2435%0.354CS..Hα-helixtrans-59.7-34.5-177.8-21.830.2000114.3M31 A34 L44 A45 P66M31-P41 HydrophobicContact CG-CB 4.15Å; M31-P41 HydrophobicContact CG-CG 4.37Å; A34-P41 VanDerWaalsContact CB-CA 3.46Å; A34-P41 HydrophobicContact CB-CB 3.98Å; A34-P41 HydrophobicContact CB-CG 3.96Å; P41-L44 PolarHBondContact O-N 3.45Å; P41-A45 PolarHBondContact O-N 3.2Å; P41-P66 CarbonylContact C-O 3.55Å; P41-P66 WeakPolarHBondContact CB-O 3.45Å
42R96.3Very high94.6Very high120 Ų12065.5 Ų65.545%0.45335%0.351SS..Hα-helixtrans-64.9-40.7175.1-167177.6-178.9104.20.7112.2A40 L44 A45 E46 I63 P66A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 3.42Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-A45 WeakPolarHBondContact O-CB 3.1Å; R42-A45 PolarHBondContact O-N 3.35Å; R42-E46 IonicContact NE-OE1 2.68Å; R42-E46 WeakPolarHBondContact O-CG 3.47Å; R42-E46 PolarHBondContact O-N 2.98Å; R42-I63 HydrophobicContact CG-CG2 4.13Å; R42-P66 WeakPolarHBondContact CA-O 3.4Å; R42-P66 WeakPolarHBondContact CB-O 3.3Å; R42-P66 PolarHBondContact N-O 3.49Å
43Q95.5Very high94.6Very high92 Ų9268.4 Ų68.443%0.4336%0.359SS..Hα-helixtrans-63.6-41.7175.9-175.5-175.14.300111A40 E46 Q47A40-Q43 HydrophobicContact CB-CB 4.14Å; A40-Q43 WeakPolarHBondContact O-CB 3.38Å; A40-Q43 PolarHBondContact O-N 2.93Å; Q43-E46 PolarHBondContact O-N 3.13Å; Q43-Q47 WeakPolarHBondContact O-CG 3.21Å; Q43-Q47 PolarHBondContact O-N 3.4Å
44L95.8Very high94.7Very high0 Ų069.9 Ų69.90%037%0.366CS..Hα-helixtrans-61.8-44.7172.9179.760000111.1A4 M30 V33 A34 L37 M39 A40 P41 R42 E46 Q47 V48A4-L44 HydrophobicContact CB-CD1 4.29Å; M30-L44 HydrophobicContact CB-CD2 4.48Å; M30-L44 HydrophobicContact SD-CD2 4.17Å; M30-L44 HydrophobicContact SD-CG 4.12Å; V33-L44 HydrophobicContact CB-CD2 3.83Å; V33-L44 HydrophobicContact CG1-CD2 3.65Å; A34-L44 HydrophobicContact CB-CB 4.04Å; A34-L44 HydrophobicContact CB-CD2 3.85Å; L37-L44 HydrophobicContact CD1-CD1 4.14Å; L37-L44 HydrophobicContact CD1-CD2 4.48Å; M39-L44 HydrophobicContact CG-CB 4.37Å; M39-L44 HydrophobicContact SD-CB 3.74Å; M39-L44 HydrophobicContact SD-CD1 3.86Å; M39-L44 HydrophobicContact SD-CG 4.27Å; A40-L44 PolarHBondContact O-N 3.23Å; A40-L44 VanDerWaalsContact O-N 3.07Å; P41-L44 PolarHBondContact O-N 3.45Å; R42-L44 VanDerWaalsContact C-N 3.34Å; L44-E46 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.44Å; L44-Q47 PolarHBondContact O-N 2.95Å; L44-V48 HydrophobicContact CD1-CG2 4.19Å; L44-V48 HydrophobicContact CG-CG2 4.33Å; L44-V48 VanDerWaalsContact O-CG2 3.28Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.49Å
45A96.5Very high94.7Very high0 Ų076.6 Ų76.60%040%0.402CS..Hα-helixtrans-60.4-41.6178.100000112M30 P41 R42 V48 L49 I63 I69M30-A45 HydrophobicContact CG-CB 4.12Å; P41-A45 PolarHBondContact O-N 3.2Å; R42-A45 WeakPolarHBondContact O-CB 3.1Å; R42-A45 PolarHBondContact O-N 3.35Å; A45-V48 PolarHBondContact O-N 3.45Å; A45-L49 WeakPolarHBondContact O-CG 3.42Å; A45-L49 PolarHBondContact O-N 2.91Å; A45-I63 HydrophobicContact CB-CD1 3.79Å; A45-I63 HydrophobicContact CB-CG1 4.06Å; A45-I63 HydrophobicContact CB-CG2 4.07Å; A45-I69 HydrophobicContact CB-CD1 4.26Å; A45-I69 HydrophobicContact CB-CG1 4.12Å
46E96.7Very high94.8Very high96 Ų9670.5 Ų70.545%0.44939%0.391SS..Hα-helixtrans-60.5-45.8174.9-72.6166-175.300111.5R42 Q43 L44 V48 L49 T50 I63R42-E46 IonicContact NE-OE1 2.68Å; R42-E46 WeakPolarHBondContact O-CG 3.47Å; R42-E46 PolarHBondContact O-N 2.98Å; Q43-E46 PolarHBondContact O-N 3.13Å; L44-E46 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.44Å; E46-V48 VanDerWaalsContact C-N 3.33Å; E46-V48 PolarHBondContact O-N 2.92Å; E46-L49 PolarHBondContact O-N 3.48Å; E46-T50 PolarHBondContact O-N 2.66Å; E46-I63 HydrophobicContact CB-CD1 4.15Å; E46-I63 HydrophobicContact CG-CD1 3.45Å; E46-I63 VanDerWaalsContact CG-CD1 3.45Å
47Q95.4Very high95.1Very high66 Ų6667 Ų6731%0.30838%0.378SS..Hα-helixtrans-65.5-35.1174.4-69176.9-100112.5A4 Q43 L44 L49 T50 H51A4-Q47 HydrophobicContact CB-CB 3.99Å; Q43-Q47 WeakPolarHBondContact O-CG 3.21Å; Q43-Q47 PolarHBondContact O-N 3.4Å; L44-Q47 PolarHBondContact O-N 2.95Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-T50 PolarHBondContact O-N 2.98Å; Q47-T50 PolarHBondContact O-OG1 2.98Å; Q47-H51 PolarHBondContact O-CD2 3.35Å
48V95.7Very high95.4Very high8 Ų865 Ų655%0.04837%0.371CS..Hα-helixtrans-65.4-42175.2169.60000110.4M1 A4 M30 L44 A45 E46 T50 H51 L52 I69M1-V48 HydrophobicContact CB-CG2 4.37Å; M1-V48 HydrophobicContact CG-CG1 4.29Å; M1-V48 HydrophobicContact CG-CG2 3.72Å; A4-V48 HydrophobicContact CB-CG2 3.87Å; M30-V48 HydrophobicContact CE-CB 4.21Å; M30-V48 HydrophobicContact CE-CG1 3.86Å; M30-V48 HydrophobicContact CE-CG2 4.05Å; M30-V48 HydrophobicContact SD-CB 4.44Å; M30-V48 HydrophobicContact SD-CG2 3.86Å; L44-V48 HydrophobicContact CD1-CG2 4.19Å; L44-V48 HydrophobicContact CG-CG2 4.33Å; L44-V48 VanDerWaalsContact O-CG2 3.28Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.49Å; A45-V48 PolarHBondContact O-N 3.45Å; E46-V48 VanDerWaalsContact C-N 3.33Å; E46-V48 PolarHBondContact O-N 2.92Å; V48-T50 VanDerWaalsContact C-N 3.26Å; V48-T50 PolarHBondContact O-N 3.02Å; V48-H51 CarbonylContact O-C 3.44Å; V48-H51 PolarHBondContact O-N 3.42Å; V48-L52 WeakPolarHBondContact O-CB 3.4Å; V48-L52 PolarHBondContact O-N 2.85Å; V48-I69 HydrophobicContact CB-CD1 4.22Å; V48-I69 HydrophobicContact CG1-CD1 3.87Å
49L94.9Very high95.5Very high55 Ų5564.9 Ų64.929%0.28836%0.358SS..Hα-helixtrans-61.6-31.3177.2-73.4-168.1000113.1A45 E46 Q47 H51 L52 V61 I63 I69A45-L49 WeakPolarHBondContact O-CG 3.42Å; A45-L49 PolarHBondContact O-N 2.91Å; E46-L49 PolarHBondContact O-N 3.48Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.04Å; L49-L52 HydrophobicContact CD2-CD2 3.69Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-V61 HydrophobicContact CD2-CB 4.42Å; L49-V61 HydrophobicContact CD2-CG1 3.52Å; L49-I63 HydrophobicContact CD1-CD1 3.7Å; L49-I63 HydrophobicContact CD1-CG1 3.54Å; L49-I63 HydrophobicContact CG-CD1 4.22Å; L49-I63 HydrophobicContact CG-CG1 4.19Å; L49-I69 HydrophobicContact CD2-CD1 4.01Å; L49-I69 HydrophobicContact CD2-CG2 3.92Å; L49-I69 HydrophobicContact CG-CD1 4.33Å
50T95.2Very high95.6Very high108 Ų10867 Ų6766%0.66337%0.366SS*.Hα-helixtrans-68.6-17.6175.760.30000113.6E46 Q47 V48E46-T50 PolarHBondContact O-N 2.66Å; Q47-T50 PolarHBondContact O-N 2.98Å; Q47-T50 PolarHBondContact O-OG1 2.98Å; V48-T50 VanDerWaalsContact C-N 3.26Å; V48-T50 PolarHBondContact O-N 3.02Å
51H94.8Very high95.6Very high109 Ų10966.9 Ų66.951%0.50536%0.359SS..Hα-helixtrans-112-3.9178.2-63.8-65.1000113.3A3 Q47 V48 L49 D53A3-H51 HydrophobicContact CB-CB 3.99Å; Q47-H51 PolarHBondContact O-CD2 3.35Å; V48-H51 CarbonylContact O-C 3.44Å; V48-H51 PolarHBondContact O-N 3.42Å; L49-H51 PolarHBondContact O-N 3.04Å; H51-D53 PolarHBondContact O-N 3.43Å
52L94.5Very high95.6Very high67 Ų6768 Ų6835%0.35136%0.362SS..  trans-84.8115.8-176.1-178.464.8000109.2V48 L49 L54 V61V48-L52 WeakPolarHBondContact O-CB 3.4Å; V48-L52 PolarHBondContact O-N 2.85Å; L49-L52 HydrophobicContact CD2-CD2 3.69Å; L49-L52 PolarHBondContact O-N 3.34Å; L52-L54 HydrophobicContact CD1-CD1 4.17Å; L52-L54 HydrophobicContact CD1-CD2 4.28Å; L52-L54 HydrophobicContact CD1-CG 3.91Å; L52-L54 HydrophobicContact CD2-CD1 3.89Å; L52-L54 HydrophobicContact CD2-CG 4.29Å; L52-L54 HydrophobicContact CG-CD1 4.09Å; L52-L54 HydrophobicContact CG-CG 3.93Å; L52-V61 HydrophobicContact CD2-CG1 3.97Å
53D93.9Very high95.6Very high113 Ų11363.8 Ų63.860%0.60435%0.348SS*.  trans-107.7109171.7-170.9-0.2000109.4H51 N55H51-D53 PolarHBondContact O-N 3.43Å; D53-N55 VanDerWaalsContact OD1-CB 3.27Å; D53-N55 WeakPolarHBondContact OD1-CB 3.39Å; D53-N55 PolarHBondContact OD1-N 2.99Å; D53-N55 PolarHBondContact OD1-ND2 3.38Å
54L95.2Very high95.5Very high38 Ų3860.4 Ų60.420%0.19934%0.335CS..  trans-122.326.4172.6-64.8179000110.6L52 G56 I57 A58 V61 I71L52-L54 HydrophobicContact CD1-CD1 4.17Å; L52-L54 HydrophobicContact CD1-CD2 4.28Å; L52-L54 HydrophobicContact CD1-CG 3.91Å; L52-L54 HydrophobicContact CD2-CD1 3.89Å; L52-L54 HydrophobicContact CD2-CG 4.29Å; L52-L54 HydrophobicContact CG-CD1 4.09Å; L52-L54 HydrophobicContact CG-CG 3.93Å; L54-G56 PolarHBondContact O-N 3.21Å; L54-I57 HydrophobicContact CB-CB 4.42Å; L54-I57 HydrophobicContact CD2-CD1 4.41Å; L54-I57 PolarHBondContact O-N 3.41Å; L54-A58 HydrophobicContact CB-CB 3.88Å; L54-A58 HydrophobicContact CD1-CB 4.13Å; L54-A58 PolarHBondContact O-N 3.37Å; L54-V61 HydrophobicContact CD1-CG2 3.91Å; L54-I71 HydrophobicContact CD1-CD1 4.2Å; L54-I71 HydrophobicContact CD1-CG1 4.37Å; L54-I71 HydrophobicContact CD1-CG2 4.06Å
55N94Very high95.4Very high140 Ų14062.8 Ų62.875%0.74936%0.36SS*.THydrogen-bonded Turntrans-57.3128.3178-72.7-43.9000110.3D53 I57D53-N55 VanDerWaalsContact OD1-CB 3.27Å; D53-N55 WeakPolarHBondContact OD1-CB 3.39Å; D53-N55 PolarHBondContact OD1-N 2.99Å; D53-N55 PolarHBondContact OD1-ND2 3.38Å; N55-I57 PolarHBondContact O-N 3.28Å
56G95Very high95.2Very high55 Ų5565.6 Ų65.657%0.56738%0.378SS*.THydrogen-bonded Turntrans76.7-0.3-176.300000115.1L54 F77L54-G56 PolarHBondContact O-N 3.21Å; G56-F77 WeakPolarHBondContact O-CB 3.48Å; G56-F77 WeakPolarHBondContact O-CD2 3.24Å
57I97.4Very high95Very high65 Ų6561 Ų6133%0.33336%0.357SS..THydrogen-bonded Turntrans-111.3-45.7176.3-59.3175.7000110.8L54 N55 L73 D74 F77L54-I57 HydrophobicContact CB-CB 4.42Å; L54-I57 HydrophobicContact CD2-CD1 4.41Å; L54-I57 PolarHBondContact O-N 3.41Å; N55-I57 PolarHBondContact O-N 3.28Å; I57-L73 HydrophobicContact CG2-CD2 4.09Å; I57-L73 WeakPolarHBondContact O-CA 3.49Å; I57-D74 PolarHBondContact O-N 3.3Å; I57-F77 HydrophobicContact CB-CD2 4.21Å; I57-F77 HydrophobicContact CB-CE2 4.26Å; I57-F77 HydrophobicContact CG1-CD2 4.04Å; I57-F77 HydrophobicContact CG1-CE2 3.88Å; I57-F77 HydrophobicContact CG2-CD2 4.26Å; I57-F77 HydrophobicContact CG2-CE1 4.3Å; I57-F77 HydrophobicContact CG2-CE2 4Å; I57-F77 HydrophobicContact CG2-CZ 4.04Å
58A97.3Very high95Very high18 Ų1860.4 Ų60.415%0.14935%0.353CS..EExtended strand (participates in β ladder)trans-117.6131.7-176.600000111.5L54 V61 I71 F72L54-A58 HydrophobicContact CB-CB 3.88Å; L54-A58 HydrophobicContact CD1-CB 4.13Å; L54-A58 PolarHBondContact O-N 3.37Å; A58-V61 HydrophobicContact CB-CG2 3.91Å; A58-I71 HydrophobicContact CB-CG2 3.84Å; A58-F72 CarbonylContact C-O 3.55Å; A58-F72 WeakPolarHBondContact CA-O 3.29Å; A58-F72 WeakPolarHBondContact CB-O 3.47Å
59S95.7Very high95Very high71 Ų7160.2 Ų60.250%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-77.8-27.3171.956.30000111.9F72 L73S59-F72 PolarHBondContact N-O 2.96Å; S59-F72 PolarHBondContact OG-O 3.38Å; S59-L73 PolarHBondContact OG-O 3.13Å; S59-L73 VanDerWaalsContact OG-O 3.06Å
60K95.8Very high95.2Very high98 Ų9857.7 Ų57.743%0.42634%0.338SS..EExtended strand (participates in β ladder)trans-152.3138.6-179.4-178.5-175.3175.8-159.80111.2E62 F72K60-E62 WeakPolarHBondContact CE-OE2 3Å; K60-E62 IonicContact NZ-OE1 3Å; K60-E62 IonicContact NZ-OE2 2.8Å; K60-E62 PolarHBondContact NZ-OE2 3.42Å; K60-F72 HydrophobicContact CB-CB 4.04Å; K60-F72 HydrophobicContact CB-CD2 4.03Å; K60-F72 HydrophobicContact CB-CG 4.23Å; K60-F72 HydrophobicContact CD-CD2 4.04Å; K60-F72 HydrophobicContact CD-CE2 4.18Å; K60-F72 HydrophobicContact CG-CD2 4.08Å; K60-F72 PolarHBondContact N-O 3.29Å; K60-F72 PolarHBondContact O-N 3.27Å
61V96.6Very high95.3Very high48 Ų4853.5 Ų53.529%0.29131%0.312SS..EExtended strand (participates in β ladder)trans-131.2132.4170.2-171.90000108.3L49 L52 L54 A58 I69 N70 I71L49-V61 HydrophobicContact CD2-CB 4.42Å; L49-V61 HydrophobicContact CD2-CG1 3.52Å; L52-V61 HydrophobicContact CD2-CG1 3.97Å; L54-V61 HydrophobicContact CD1-CG2 3.91Å; A58-V61 HydrophobicContact CB-CG2 3.91Å; V61-I69 HydrophobicContact CG1-CG2 3.27Å; V61-N70 WeakPolarHBondContact CA-O 3.47Å; V61-I71 HydrophobicContact CG1-CG1 4.42Å
62E95.9Very high95.4Very high61 Ų6150.4 Ų50.429%0.28530%0.297SS..EExtended strand (participates in β ladder)trans-142.7151.6-179.265.4177.8-164.700112.6K60 I69 N70 F72K60-E62 WeakPolarHBondContact CE-OE2 3Å; K60-E62 IonicContact NZ-OE1 3Å; K60-E62 IonicContact NZ-OE2 2.8Å; K60-E62 PolarHBondContact NZ-OE2 3.42Å; E62-I69 CarbonylContact O-C 3.6Å; E62-I69 WeakPolarHBondContact O-CA 3.44Å; E62-N70 HydrophobicContact CG-CB 3.75Å; E62-N70 PolarHBondContact N-O 3.42Å; E62-N70 PolarHBondContact O-N 3Å; E62-N70 PolarHBondContact OE1-ND2 3.04Å; E62-F72 HydrophobicContact CG-CE2 4.2Å
63I96.4Very high95.6Very high32 Ų3248.2 Ų48.216%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-88.3125.8174.1-58.6173.2000109.4R42 A45 E46 L49 F68R42-I63 HydrophobicContact CG-CG2 4.13Å; A45-I63 HydrophobicContact CB-CD1 3.79Å; A45-I63 HydrophobicContact CB-CG1 4.06Å; A45-I63 HydrophobicContact CB-CG2 4.07Å; E46-I63 HydrophobicContact CB-CD1 4.15Å; E46-I63 HydrophobicContact CG-CD1 3.45Å; E46-I63 VanDerWaalsContact CG-CD1 3.45Å; L49-I63 HydrophobicContact CD1-CD1 3.7Å; L49-I63 HydrophobicContact CD1-CG1 3.54Å; L49-I63 HydrophobicContact CG-CD1 4.22Å; L49-I63 HydrophobicContact CG-CG1 4.19Å; I63-F68 CarbonylContact C-O 3.56Å; I63-F68 VanDerWaalsContact CA-O 3.26Å; I63-F68 WeakPolarHBondContact CA-O 3.45Å
64A93.9Very high95.8Very high20 Ų2045 Ų4517%0.16527%0.269CS..EExtended strand (participates in β ladder)trans-119.8152.7176.400000112G67 F68 N70A64-G67 PolarHBondContact O-N 3.24Å; A64-F68 HydrophobicContact CB-CB 4.49Å; A64-F68 PolarHBondContact N-O 3.17Å; A64-F68 WeakPolarHBondContact O-CB 3.42Å; A64-F68 PolarHBondContact O-N 3.17Å; A64-N70 WeakPolarHBondContact CB-ND2 3.5Å
65G91.9Very high95.9Very high50 Ų5045.7 Ų45.752%0.51528%0.275SS..THydrogen-bonded Turntrans54.4-138.417500000113.8G67G65-G67 PolarHBondContact O-N 2.9Å
66P92.1Very high96Very high59 Ų5942.1 Ų42.138%0.38327%0.265SS..THydrogen-bonded Turntrans-71.2-17.4-17629.5-34.8000113.6M31 P41 R42 F68M31-P66 HydrophobicContact CE-CG 4.32Å; M31-P66 HydrophobicContact CG-CG 4.28Å; M31-P66 HydrophobicContact SD-CB 4.42Å; M31-P66 HydrophobicContact SD-CG 3.65Å; P41-P66 CarbonylContact C-O 3.55Å; P41-P66 WeakPolarHBondContact CB-O 3.45Å; R42-P66 WeakPolarHBondContact CA-O 3.4Å; R42-P66 WeakPolarHBondContact CB-O 3.3Å; R42-P66 PolarHBondContact N-O 3.49Å; P66-F68 HydrophobicContact CG-CD2 4.48Å; P66-F68 HydrophobicContact CG-CE1 4.49Å; P66-F68 HydrophobicContact CG-CE2 4.01Å; P66-F68 HydrophobicContact CG-CZ 4.01Å
67G93.3Very high96.2Very high0 Ų041.5 Ų41.50%025%0.247CC..THydrogen-bonded Turntrans157.823.2-175.800000113.9M30 A64 G65M30-G67 WeakPolarHBondContact CB-O 3.48Å; M30-G67 WeakPolarHBondContact CG-O 3.08Å; A64-G67 PolarHBondContact O-N 3.24Å; G65-G67 PolarHBondContact O-N 2.9Å
68F95.4Very high96.2Very high54 Ų5438.5 Ų38.524%0.23723%0.231CC..EExtended strand (participates in β ladder)trans-72.1148.2172.8-55.5-49000109.6Q26 N28 M31 I63 A64 P66Q26-F68 HydrophobicContact CG-CB 3.97Å; N28-F68 HydrophobicContact CB-CD1 4.27Å; N28-F68 HydrophobicContact CB-CE1 4.34Å; N28-F68 WeakPolarHBondContact OD1-CD1 3.44Å; M31-F68 HydrophobicContact SD-CE1 3.83Å; M31-F68 HydrophobicContact SD-CZ 4.03Å; I63-F68 CarbonylContact C-O 3.56Å; I63-F68 VanDerWaalsContact CA-O 3.26Å; I63-F68 WeakPolarHBondContact CA-O 3.45Å; A64-F68 HydrophobicContact CB-CB 4.49Å; A64-F68 PolarHBondContact N-O 3.17Å; A64-F68 WeakPolarHBondContact O-CB 3.42Å; A64-F68 PolarHBondContact O-N 3.17Å; P66-F68 HydrophobicContact CG-CD2 4.48Å; P66-F68 HydrophobicContact CG-CE1 4.49Å; P66-F68 HydrophobicContact CG-CE2 4.01Å; P66-F68 HydrophobicContact CG-CZ 4.01Å
69I96.9Very high96.3Very high3 Ų338.1 Ų38.12%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-113.9109.2172-56.5-174.2000108.3Q26 A27 M30 A45 V48 L49 V61 E62 I71Q26-I69 CarbonylContact C-O 3.42Å; Q26-I69 VanDerWaalsContact CA-O 3.3Å; Q26-I69 WeakPolarHBondContact CA-O 3.4Å; A27-I69 HydrophobicContact CB-CB 4.19Å; A27-I69 PolarHBondContact N-O 2.96Å; A27-I69 PolarHBondContact O-N 3.22Å; A27-I69 VanDerWaalsContact O-N 3.12Å; M30-I69 HydrophobicContact CE-CD1 3.71Å; M30-I69 HydrophobicContact CE-CG1 4.37Å; A45-I69 HydrophobicContact CB-CD1 4.26Å; A45-I69 HydrophobicContact CB-CG1 4.12Å; V48-I69 HydrophobicContact CB-CD1 4.22Å; V48-I69 HydrophobicContact CG1-CD1 3.87Å; L49-I69 HydrophobicContact CD2-CD1 4.01Å; L49-I69 HydrophobicContact CD2-CG2 3.92Å; L49-I69 HydrophobicContact CG-CD1 4.33Å; V61-I69 HydrophobicContact CG1-CG2 3.27Å; E62-I69 CarbonylContact O-C 3.6Å; E62-I69 WeakPolarHBondContact O-CA 3.44Å; I69-I71 HydrophobicContact CG2-CG1 4.42Å
70N97.3Very high96.4Very high2 Ų240 Ų401%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-80.6136.8173.7-65.4-10.3000109.4F22 Q26 V61 E62 A64 F72F22-N70 WeakPolarHBondContact O-CB 3.4Å; F22-N70 VanDerWaalsContact O-CG 3.27Å; Q26-N70 PolarHBondContact NE2-OD1 2.86Å; V61-N70 WeakPolarHBondContact CA-O 3.47Å; E62-N70 HydrophobicContact CG-CB 3.75Å; E62-N70 PolarHBondContact N-O 3.42Å; E62-N70 PolarHBondContact O-N 3Å; E62-N70 PolarHBondContact OE1-ND2 3.04Å; A64-N70 WeakPolarHBondContact CB-ND2 3.5Å; N70-F72 HydrophobicContact CB-CE2 4.03Å
71I97.7Very high96.4Very high20 Ų2038.1 Ų38.110%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-125.8122.1-177.9-55.8169.1000108.3D24 Y25 L54 A58 V61 I69D24-I71 PolarHBondContact N-O 3.38Å; Y25-I71 PolarHBondContact N-O 2.96Å; Y25-I71 PolarHBondContact O-N 3.24Å; L54-I71 HydrophobicContact CD1-CD1 4.2Å; L54-I71 HydrophobicContact CD1-CG1 4.37Å; L54-I71 HydrophobicContact CD1-CG2 4.06Å; A58-I71 HydrophobicContact CB-CG2 3.84Å; V61-I71 HydrophobicContact CG1-CG1 4.42Å; I69-I71 HydrophobicContact CG2-CG1 4.42Å
72F97.3Very high96.5Very high45 Ų4535.9 Ų35.920%0.19721%0.208CC..EExtended strand (participates in β ladder)trans-107.8119.4174.9-61.1-105.8000107.7G23 D24 A58 S59 K60 E62 N70G23-F72 VanDerWaalsContact CA-CD1 3.49Å; G23-F72 VanDerWaalsContact N-CZ 3.34Å; D24-F72 WeakPolarHBondContact OD2-CA 3.41Å; A58-F72 CarbonylContact C-O 3.55Å; A58-F72 WeakPolarHBondContact CA-O 3.29Å; A58-F72 WeakPolarHBondContact CB-O 3.47Å; S59-F72 PolarHBondContact N-O 2.96Å; S59-F72 PolarHBondContact OG-O 3.38Å; K60-F72 HydrophobicContact CB-CB 4.04Å; K60-F72 HydrophobicContact CB-CD2 4.03Å; K60-F72 HydrophobicContact CB-CG 4.23Å; K60-F72 HydrophobicContact CD-CD2 4.04Å; K60-F72 HydrophobicContact CD-CE2 4.18Å; K60-F72 HydrophobicContact CG-CD2 4.08Å; K60-F72 PolarHBondContact N-O 3.29Å; K60-F72 PolarHBondContact O-N 3.27Å; E62-F72 HydrophobicContact CG-CE2 4.2Å; N70-F72 HydrophobicContact CB-CE2 4.03Å
73L97.9Very high96.6Very high21 Ų2136 Ų3611%0.1121%0.209CC..EExtended strand (participates in β ladder)trans-67.6150.8-177.1-65.8178.3000111D24 Y25 I57 S59 F77 L78D24-L73 HydrophobicContact CB-CD1 4.1Å; D24-L73 HydrophobicContact CB-CG 4Å; D24-L73 PolarHBondContact OD2-N 3.4Å; Y25-L73 HydrophobicContact CD2-CD1 4.34Å; Y25-L73 HydrophobicContact CD2-CG 4.5Å; Y25-L73 HydrophobicContact CE2-CD1 3.97Å; I57-L73 HydrophobicContact CG2-CD2 4.09Å; I57-L73 WeakPolarHBondContact O-CA 3.49Å; S59-L73 PolarHBondContact OG-O 3.13Å; S59-L73 VanDerWaalsContact OG-O 3.06Å; L73-F77 HydrophobicContact CD2-CD1 4.28Å; L73-F77 HydrophobicContact CD2-CE1 4.22Å; L73-L78 HydrophobicContact CB-CD1 4.25Å; L73-L78 HydrophobicContact CB-CD2 4.11Å; L73-L78 HydrophobicContact CB-CG 4.04Å; L73-L78 HydrophobicContact CD1-CD2 3.62Å; L73-L78 HydrophobicContact CD1-CG 4.46Å
74D97.7Very high96.6Very high46 Ų4639 Ų3925%0.24622%0.223CC..  trans-74.9130174.8-167.8-64.4000109.8I57 A76 F77 L78I57-D74 PolarHBondContact O-N 3.3Å; D74-A76 PolarHBondContact O-N 3.23Å; D74-A76 WeakPolarHBondContact OD1-CA 3.28Å; D74-A76 VanDerWaalsContact OD1-CB 3.24Å; D74-A76 WeakPolarHBondContact OD1-CB 3.48Å; D74-A76 PolarHBondContact OD1-N 2.57Å; D74-F77 HydrophobicContact CB-CB 3.89Å; D74-F77 VanDerWaalsContact O-CB 3.31Å; D74-F77 WeakPolarHBondContact O-CB 3.41Å; D74-F77 PolarHBondContact O-N 2.98Å; D74-L78 PolarHBondContact O-N 3.48Å
75P97.6Very high96.7Very high52 Ų5238.3 Ų38.334%0.33822%0.216SC..Hα-helixtrans-54.2-33.9175.6-28.636.6000114.2A79 I474P75-A79 WeakPolarHBondContact O-CB 3.18Å; P75-A79 PolarHBondContact O-N 3.39Å; P75-I474 HydrophobicContact CB-CB 3.92Å; P75-I474 HydrophobicContact CB-CG2 3.99Å
76A97.5Very high97Very high65 Ų6536.8 Ų36.854%0.53720%0.196SC..Hα-helixtrans-71.3-38.5175.700000111.8D74 A79 E80D74-A76 PolarHBondContact O-N 3.23Å; D74-A76 WeakPolarHBondContact OD1-CA 3.28Å; D74-A76 VanDerWaalsContact OD1-CB 3.24Å; D74-A76 WeakPolarHBondContact OD1-CB 3.48Å; D74-A76 PolarHBondContact OD1-N 2.57Å; A76-A79 PolarHBondContact O-N 3.34Å; A76-E80 PolarHBondContact O-N 3.48Å
77F98Very high97.1Very high42 Ų4237.9 Ų37.918%0.18421%0.211CC..Hα-helixtrans-59.9-47172.8175.3-94.5000111.3G56 I57 L73 D74 E80 H81G56-F77 WeakPolarHBondContact O-CB 3.48Å; G56-F77 WeakPolarHBondContact O-CD2 3.24Å; I57-F77 HydrophobicContact CB-CD2 4.21Å; I57-F77 HydrophobicContact CB-CE2 4.26Å; I57-F77 HydrophobicContact CG1-CD2 4.04Å; I57-F77 HydrophobicContact CG1-CE2 3.88Å; I57-F77 HydrophobicContact CG2-CD2 4.26Å; I57-F77 HydrophobicContact CG2-CE1 4.3Å; I57-F77 HydrophobicContact CG2-CE2 4Å; I57-F77 HydrophobicContact CG2-CZ 4.04Å; L73-F77 HydrophobicContact CD2-CD1 4.28Å; L73-F77 HydrophobicContact CD2-CE1 4.22Å; D74-F77 HydrophobicContact CB-CB 3.89Å; D74-F77 VanDerWaalsContact O-CB 3.31Å; D74-F77 WeakPolarHBondContact O-CB 3.41Å; D74-F77 PolarHBondContact O-N 2.98Å; F77-E80 PolarHBondContact O-N 2.98Å; F77-H81 AromaticContact CD2-CE1 3.53Å; F77-H81 AromaticContact CD2-ND1 3.77Å; F77-H81 AromaticContact CE1-ND1 4Å; F77-H81 AromaticContact CE2-CE1 3.06Å; F77-H81 WeakPolarHBondContact CE2-CE1 3.39Å; F77-H81 AromaticContact CE2-ND1 3.61Å; F77-H81 AromaticContact CE2-NE2 3.73Å; F77-H81 AromaticContact CZ-CE1 3.41Å; F77-H81 VanDerWaalsContact CZ-CE1 3.41Å; F77-H81 WeakPolarHBondContact CZ-CE1 3.39Å; F77-H81 AromaticContact CZ-ND1 3.71Å; F77-H81 AromaticContact CZ-NE2 3.75Å; F77-H81 PolarHBondContact O-N 3.03Å; F77-H81 VanDerWaalsContact O-N 3.14Å; F77-H81 PolarHBondContact O-ND1 2.87Å
78L98.3Very high97.2Very high1 Ų139.6 Ų39.61%0.00522%0.223CC..Hα-helixtrans-59.9-47.1176-70.3175000111.4L73 D74 E80 H81 V82 I474 A480 A483 A484 L487L73-L78 HydrophobicContact CB-CD1 4.25Å; L73-L78 HydrophobicContact CB-CD2 4.11Å; L73-L78 HydrophobicContact CB-CG 4.04Å; L73-L78 HydrophobicContact CD1-CD2 3.62Å; L73-L78 HydrophobicContact CD1-CG 4.46Å; D74-L78 PolarHBondContact O-N 3.48Å; L78-E80 PolarHBondContact O-N 3.08Å; L78-H81 PolarHBondContact O-N 2.95Å; L78-V82 WeakPolarHBondContact O-CB 3.41Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.45Å; L78-V82 PolarHBondContact O-N 3.3Å; L78-I474 HydrophobicContact CB-CG1 4.34Å; L78-A480 HydrophobicContact CD1-CB 4.11Å; L78-A483 HydrophobicContact CB-CB 4.16Å; L78-A483 HydrophobicContact CD1-CB 4.44Å; L78-A484 HydrophobicContact CD2-CB 4.05Å; L78-L487 HydrophobicContact CD2-CD1 3.77Å
79A98.2Very high97.1Very high11 Ų1145 Ų459%0.09125%0.254CS..Hα-helixtrans-57.9-45.9179.200000112.5P75 A76 V82 Q83 V472 I474P75-A79 WeakPolarHBondContact O-CB 3.18Å; P75-A79 PolarHBondContact O-N 3.39Å; A76-A79 PolarHBondContact O-N 3.34Å; A79-V82 PolarHBondContact O-N 3.36Å; A79-Q83 PolarHBondContact O-N 3.44Å; A79-V472 HydrophobicContact CB-CB 4.15Å; A79-V472 HydrophobicContact CB-CG1 3.99Å; A79-V472 WeakPolarHBondContact CB-O 3.49Å; A79-I474 HydrophobicContact CB-CG1 4.11Å
80E97.5Very high97Very high111 Ų11147.9 Ų47.952%0.51927%0.265SS..Hα-helixtrans-60.6-47.9178.1-174.2-176.3173.200111.5A76 F77 L78 V82 Q83 Q84A76-E80 PolarHBondContact O-N 3.48Å; F77-E80 PolarHBondContact O-N 2.98Å; L78-E80 PolarHBondContact O-N 3.08Å; E80-V82 PolarHBondContact O-N 3.38Å; E80-Q83 WeakPolarHBondContact O-CB 3.32Å; E80-Q83 PolarHBondContact O-N 2.72Å; E80-Q84 WeakPolarHBondContact O-CG 3.44Å; E80-Q84 PolarHBondContact O-N 2.97Å; E80-Q84 PolarHBondContact OE1-NE2 3.37Å
81H97.4Very high97Very high58 Ų5848.8 Ų48.827%0.26927%0.269SS..Hα-helixtrans-70.9-32.6-177.5-73.174000112.4F77 L78 Q83 Q84 A85 L487F77-H81 AromaticContact CD2-CE1 3.53Å; F77-H81 AromaticContact CD2-ND1 3.77Å; F77-H81 AromaticContact CE1-ND1 4Å; F77-H81 AromaticContact CE2-CE1 3.06Å; F77-H81 WeakPolarHBondContact CE2-CE1 3.39Å; F77-H81 AromaticContact CE2-ND1 3.61Å; F77-H81 AromaticContact CE2-NE2 3.73Å; F77-H81 AromaticContact CZ-CE1 3.41Å; F77-H81 VanDerWaalsContact CZ-CE1 3.41Å; F77-H81 WeakPolarHBondContact CZ-CE1 3.39Å; F77-H81 AromaticContact CZ-ND1 3.71Å; F77-H81 AromaticContact CZ-NE2 3.75Å; F77-H81 PolarHBondContact O-N 3.03Å; F77-H81 VanDerWaalsContact O-N 3.14Å; F77-H81 PolarHBondContact O-ND1 2.87Å; L78-H81 PolarHBondContact O-N 2.95Å; H81-Q83 VanDerWaalsContact C-N 3.32Å; H81-Q84 PolarHBondContact O-N 3.27Å; H81-A85 VanDerWaalsContact O-CB 3.32Å; H81-A85 WeakPolarHBondContact O-CB 3.29Å; H81-A85 PolarHBondContact O-N 3.45Å; H81-L487 HydrophobicContact CB-CD1 3.58Å; H81-L487 HydrophobicContact CB-CD2 3.74Å; H81-L487 HydrophobicContact CB-CG 4.32Å
82V98.2Very high96.8Very high0 Ų049.8 Ų49.80%028%0.284CS..Hα-helixtrans-62.2-42.2170.2168.50000110.7L78 A79 E80 A85 L86 V472 A483 L487 L540 L543L78-V82 WeakPolarHBondContact O-CB 3.41Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.45Å; L78-V82 PolarHBondContact O-N 3.3Å; A79-V82 PolarHBondContact O-N 3.36Å; E80-V82 PolarHBondContact O-N 3.38Å; V82-A85 PolarHBondContact O-N 2.75Å; V82-L86 HydrophobicContact CG1-CD1 4.15Å; V82-L86 WeakPolarHBondContact O-CB 3.34Å; V82-L86 WeakPolarHBondContact O-CG 3.48Å; V82-L86 PolarHBondContact O-N 2.59Å; V82-V472 HydrophobicContact CB-CG1 4.24Å; V82-V472 HydrophobicContact CB-CG2 4.46Å; V82-V472 HydrophobicContact CG1-CG1 4.04Å; V82-V472 HydrophobicContact CG1-CG2 3.9Å; V82-A483 HydrophobicContact CG2-CB 3.87Å; V82-L487 HydrophobicContact CG2-CD1 4.44Å; V82-L487 HydrophobicContact CG2-CD2 4.5Å; V82-L487 HydrophobicContact CG2-CG 4.44Å; V82-L540 HydrophobicContact CG1-CD2 4.12Å; V82-L540 HydrophobicContact CG2-CD2 4.33Å; V82-L543 HydrophobicContact CB-CD2 4.3Å; V82-L543 HydrophobicContact CG1-CD2 3.85Å; V82-L543 HydrophobicContact CG2-CD2 4.22Å
83Q96.9Very high96.8Very high64 Ų6448 Ų4830%0.29928%0.277SS..Hα-helixtrans-63.1-43.6176.6-177.368.628.900111.4A79 E80 H81 L86 A87 V472 K539A79-Q83 PolarHBondContact O-N 3.44Å; E80-Q83 WeakPolarHBondContact O-CB 3.32Å; E80-Q83 PolarHBondContact O-N 2.72Å; H81-Q83 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 3.43Å; Q83-A87 PolarHBondContact O-N 2.93Å; Q83-V472 HydrophobicContact CB-CG2 4.25Å; Q83-K539 VanDerWaalsContact NE2-NZ 3.19Å
84Q96.5Very high96.7Very high96 Ų9649.6 Ų49.645%0.44929%0.293SS..Hα-helixtrans-63.1-43.4175.6-68174.710.100111.8E80 H81 L86 A87 S88E80-Q84 WeakPolarHBondContact O-CG 3.44Å; E80-Q84 PolarHBondContact O-N 2.97Å; E80-Q84 PolarHBondContact OE1-NE2 3.37Å; H81-Q84 PolarHBondContact O-N 3.27Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.05Å; Q84-A87 PolarHBondContact O-N 2.78Å; Q84-S88 PolarHBondContact O-N 3.34Å
85A97.7Very high96.5Very high4 Ų451.6 Ų51.63%0.03331%0.307CS..Hα-helixtrans-62-41177.700000111.8H81 V82 A87 S88 L91 L487 L543H81-A85 VanDerWaalsContact O-CB 3.32Å; H81-A85 WeakPolarHBondContact O-CB 3.29Å; H81-A85 PolarHBondContact O-N 3.45Å; V82-A85 PolarHBondContact O-N 2.75Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 3.49Å; A85-S88 PolarHBondContact O-N 2.87Å; A85-L91 WeakPolarHBondContact CB-O 3.2Å; A85-L91 WeakPolarHBondContact O-CA 3.3Å; A85-L487 HydrophobicContact CB-CD2 4.42Å; A85-L543 HydrophobicContact CB-CD1 4.07Å; A85-L543 HydrophobicContact CB-CD2 3.98Å
86L96.5Very high96.4Very high18 Ų1851.8 Ų51.89%0.09431%0.309CS..Hα-helixtrans-65.1-34.2177.2-81.5169.3000113.8V82 Q83 Q84 S88 K539 Q542 L543 K546V82-L86 HydrophobicContact CG1-CD1 4.15Å; V82-L86 WeakPolarHBondContact O-CB 3.34Å; V82-L86 WeakPolarHBondContact O-CG 3.48Å; V82-L86 PolarHBondContact O-N 2.59Å; Q83-L86 PolarHBondContact O-N 3.43Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.05Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-K539 HydrophobicContact CD1-CB 3.61Å; L86-K539 HydrophobicContact CD1-CD 3.99Å; L86-K539 HydrophobicContact CD1-CG 3.88Å; L86-Q542 HydrophobicContact CD2-CB 4.06Å; L86-Q542 HydrophobicContact CD2-CG 3.96Å; L86-L543 HydrophobicContact CD2-CB 3.76Å; L86-L543 HydrophobicContact CD2-CD1 4.29Å; L86-L543 HydrophobicContact CG-CB 4.06Å; L86-L543 HydrophobicContact CG-CD1 4.44Å; L86-K546 PolarHBondContact O-NZ 3.46Å
87A94.8Very high96.3Very high83 Ų8357.1 Ų57.169%0.68632%0.322SS*.Hα-helixtrans-77.6-14.5177.700000113.3Q83 Q84 A85Q83-A87 PolarHBondContact O-N 2.93Å; Q84-A87 PolarHBondContact O-N 2.78Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 3.49Å
88S95.3Very high96.2Very high36 Ų3662 Ų6225%0.25234%0.343SS..SBendtrans-93.9132.7178.3176.20000111.4Q84 A85 L86 R90 L91 G92Q84-S88 PolarHBondContact O-N 3.34Å; A85-S88 PolarHBondContact O-N 2.87Å; L86-S88 VanDerWaalsContact C-N 3.3Å; S88-R90 PolarHBondContact O-N 3.21Å; S88-R90 VanDerWaalsContact O-N 3.11Å; S88-R90 PolarHBondContact OG-N 3.43Å; S88-R90 VanDerWaalsContact OG-N 3.14Å; S88-L91 PolarHBondContact O-N 2.94Å; S88-L91 VanDerWaalsContact O-N 3.15Å; S88-G92 PolarHBondContact OG-N 3.5Å
89D93.2Very high96.2Very high166 Ų16665.5 Ų65.589%0.88836%0.36SS*.THydrogen-bonded Turntrans-62.6-16.8171.2-66.3-25.2000112.7
90R95.8Very high96.3Very high65 Ų6566 Ų6625%0.24536%0.362CS..THydrogen-bonded Turntrans-107.614-179.3-60.517359.679.81.6113S88 G92 V93 F134S88-R90 PolarHBondContact O-N 3.21Å; S88-R90 VanDerWaalsContact O-N 3.11Å; S88-R90 PolarHBondContact OG-N 3.43Å; S88-R90 VanDerWaalsContact OG-N 3.14Å; R90-G92 PolarHBondContact O-N 3.36Å; R90-V93 PolarHBondContact NE-O 3.39Å; R90-V93 VanDerWaalsContact O-CB 3.28Å; R90-V93 WeakPolarHBondContact O-CB 3.07Å; R90-V93 VanDerWaalsContact O-CG2 3.25Å; R90-V93 WeakPolarHBondContact O-CG2 3.24Å; R90-V93 PolarHBondContact O-N 3.02Å; R90-F134 HydrophobicContact CB-CZ 4.15Å; R90-F134 PolarHBondContact NH1-O 3.02Å; R90-F134 PolarHBondContact NH2-O 2.86Å
91L96.7Very high96.3Very high21 Ų2160.7 Ų60.711%0.1134%0.337CS..THydrogen-bonded Turntrans58.632.2-179-46.2-175.4000113.9A85 S88 V93 F489 L543 K546 L550A85-L91 WeakPolarHBondContact CB-O 3.2Å; A85-L91 WeakPolarHBondContact O-CA 3.3Å; S88-L91 PolarHBondContact O-N 2.94Å; S88-L91 VanDerWaalsContact O-N 3.15Å; L91-V93 PolarHBondContact O-N 2.54Å; L91-F489 HydrophobicContact CD1-CD1 4.49Å; L91-F489 HydrophobicContact CD1-CE1 4.37Å; L91-L543 HydrophobicContact CB-CD1 4.41Å; L91-L543 HydrophobicContact CD2-CD1 4.06Å; L91-K546 HydrophobicContact CD1-CB 4.17Å; L91-K546 HydrophobicContact CD2-CB 3.64Å; L91-K546 HydrophobicContact CD2-CD 3.74Å; L91-K546 HydrophobicContact CD2-CG 4.32Å; L91-L550 HydrophobicContact CD1-CB 4.33Å; L91-L550 HydrophobicContact CD1-CD2 3.8Å; L91-L550 HydrophobicContact CG-CD2 4.2Å
92G94Very high96.4Very high41 Ų4158 Ų5842%0.42332%0.324SS..THydrogen-bonded Turntrans78.50.2-178.300000114.4S88 R90 A94S88-G92 PolarHBondContact OG-N 3.5Å; R90-G92 PolarHBondContact O-N 3.36Å; G92-A94 PolarHBondContact O-N 3.38Å
93V97.1Very high96.4Very high7 Ų758 Ų584%0.04232%0.324CS..  trans-68.8120-179.1179.20000110.8R90 L91 F134 L135 F489 E490 L493R90-V93 PolarHBondContact NE-O 3.39Å; R90-V93 VanDerWaalsContact O-CB 3.28Å; R90-V93 WeakPolarHBondContact O-CB 3.07Å; R90-V93 VanDerWaalsContact O-CG2 3.25Å; R90-V93 WeakPolarHBondContact O-CG2 3.24Å; R90-V93 PolarHBondContact O-N 3.02Å; L91-V93 PolarHBondContact O-N 2.54Å; V93-F134 HydrophobicContact CB-CE1 3.99Å; V93-F134 HydrophobicContact CB-CZ 4.31Å; V93-F134 HydrophobicContact CG1-CE1 3.9Å; V93-F134 HydrophobicContact CG2-CE1 4.09Å; V93-F134 HydrophobicContact CG2-CZ 4.41Å; V93-L135 HydrophobicContact CG1-CD2 3.9Å; V93-F489 HydrophobicContact CG2-CD1 4.08Å; V93-E490 HydrophobicContact CG1-CB 4.39Å; V93-E490 HydrophobicContact CG1-CG 4.13Å; V93-E490 HydrophobicContact CG2-CB 4.24Å; V93-L493 HydrophobicContact CG1-CD1 4.04Å; V93-L493 HydrophobicContact CG2-CD1 3.82Å
94A95.2Very high96.5Very high54 Ų5455 Ų5545%0.44631%0.311SS..  trans-63.8152.8175.500000112.1G92 P96 E490G92-A94 PolarHBondContact O-N 3.38Å; A94-P96 WeakPolarHBondContact O-CD 3.41Å; A94-E490 PolarHBondContact N-OE2 3.26Å; A94-E490 VanDerWaalsContact N-OE2 3.13Å
95T94.2Very high96.6Very high88 Ų8850.5 Ų50.554%0.5429%0.289SS..  trans-94.8113173.6-55.50000108.6
96P94.5Very high96.6Very high57 Ų5750.4 Ų50.437%0.3729%0.289SS..PPolyproline II helixtrans-63172.317426.8-37.6000112.7A94 K98 L135A94-P96 WeakPolarHBondContact O-CD 3.41Å; P96-K98 PolarHBondContact O-N 3.2Å; P96-L135 VanDerWaalsContact CD-O 3.24Å; P96-L135 WeakPolarHBondContact CD-O 3.49Å; P96-L135 HydrophobicContact CG-CB 4.01Å
97E95.5Very high96.5Very high176 Ų17651 Ų5182%0.82230%0.297SS*.PPolyproline II helixtrans-57128.5170.6-173.1175.9-175.200110.4Q99 H137E97-Q99 PolarHBondContact O-N 3.2Å; E97-H137 PolarHBondContact O-CE1 3.26Å
98K97.4Very high96.5Very high145 Ų14547.1 Ų47.163%0.6326%0.264SS*.PPolyproline II helixtrans-69.4132.3-175-174.6171.6-175.3173.90110.4P96P96-K98 PolarHBondContact O-N 3.2Å
99Q98.2Very high96.3Very high74 Ų7447.9 Ų47.935%0.34627%0.265SS..  trans-125.6152.9175.9-67.2-175.8-36.900109.7E97 I101 H137 K138 D317E97-Q99 PolarHBondContact O-N 3.2Å; Q99-I101 HydrophobicContact CB-CD1 4.18Å; Q99-I101 HydrophobicContact CB-CG1 3.9Å; Q99-H137 PolarHBondContact N-ND1 3.17Å; Q99-K138 PolarHBondContact O-N 3.31Å; Q99-D317 WeakPolarHBondContact CA-OD2 3.17Å; Q99-D317 HydrophobicContact CB-CB 4.08Å; Q99-D317 HydrophobicContact CG-CB 4.33Å
100T98.7Very high96.1Very high22 Ų2240.2 Ų40.214%0.13522%0.224CC..EExtended strand (participates in β ladder)trans-90.7111.3165.4-56.90000108.9K138 I140 H315 D317 R318T100-K138 CarbonylContact C-O 3.48Å; T100-K138 WeakPolarHBondContact CA-O 3.15Å; T100-K138 HydrophobicContact CG2-CD 4.06Å; T100-K138 HydrophobicContact CG2-CG 4.48Å; T100-I140 HydrophobicContact CG2-CD1 3.69Å; T100-I140 HydrophobicContact CG2-CG1 4.35Å; T100-H315 WeakPolarHBondContact CB-O 3.31Å; T100-D317 PolarHBondContact N-OD2 3.43Å; T100-D317 PolarHBondContact O-N 3.13Å; T100-R318 PolarHBondContact O-N 3.43Å
101I98.8Very high95.5Very high0 Ų037.1 Ų37.10%021%0.213CC..EExtended strand (participates in β ladder)trans-118.3118.9-173.4-53.1176.7000108.9Q99 V103 L132 H137 K138 V139 I140 R318 L320Q99-I101 HydrophobicContact CB-CD1 4.18Å; Q99-I101 HydrophobicContact CB-CG1 3.9Å; I101-V103 HydrophobicContact CG2-CG2 4.08Å; I101-L132 HydrophobicContact CD1-CD1 4.34Å; I101-L132 HydrophobicContact CD1-CD2 3.72Å; I101-L132 HydrophobicContact CG2-CD1 4.06Å; I101-H137 HydrophobicContact CD1-CB 3.88Å; I101-H137 HydrophobicContact CG1-CB 4.43Å; I101-K138 PolarHBondContact N-O 2.85Å; I101-V139 CarbonylContact O-C 3.47Å; I101-V139 WeakPolarHBondContact O-CA 3.3Å; I101-I140 PolarHBondContact O-N 3.26Å; I101-R318 WeakPolarHBondContact CA-O 3.47Å; I101-R318 HydrophobicContact CG1-CB 4.26Å; I101-R318 HydrophobicContact CG2-CB 4.29Å; I101-R318 HydrophobicContact CG2-CG 4.25Å; I101-L320 HydrophobicContact CG2-CD1 4.1Å; I101-L320 HydrophobicContact CG2-CG 4.03Å
102V98.8Very high94.9Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-90126.7173.61790000108.6I140 A142 R310 L314 A316 R318 V319 L320V102-I140 CarbonylContact C-O 3.58Å; V102-I140 VanDerWaalsContact CA-O 3.31Å; V102-I140 WeakPolarHBondContact CA-O 3.25Å; V102-I140 HydrophobicContact CG2-CB 4.09Å; V102-I140 HydrophobicContact CG2-CD1 4.25Å; V102-A142 HydrophobicContact CG1-CB 4.07Å; V102-R310 HydrophobicContact CG1-CG 4.1Å; V102-R310 HydrophobicContact CG2-CB 4.45Å; V102-L314 HydrophobicContact CG2-CB 4.29Å; V102-L314 HydrophobicContact CG2-CD1 3.91Å; V102-A316 HydrophobicContact CG2-CB 3.74Å; V102-R318 PolarHBondContact N-O 2.91Å; V102-V319 HydrophobicContact CB-CG1 4.1Å; V102-V319 HydrophobicContact CB-CG2 4.39Å; V102-V319 HydrophobicContact CG1-CG1 4.27Å; V102-V319 CarbonylContact O-C 3.55Å; V102-V319 WeakPolarHBondContact O-CA 3.25Å; V102-L320 PolarHBondContact O-N 2.78Å
103V98.8Very high94.5Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-119111.9179.8-174.30000109.7I101 Y105 V129 L132 V139 I140 A142 L320 Y322I101-V103 HydrophobicContact CG2-CG2 4.08Å; V103-Y105 HydrophobicContact CG1-CD1 4.04Å; V103-V129 HydrophobicContact CB-CG2 3.76Å; V103-V129 HydrophobicContact CG1-CG2 3.75Å; V103-V129 HydrophobicContact CG2-CG2 4Å; V103-L132 HydrophobicContact CG2-CD1 4Å; V103-V139 HydrophobicContact CG2-CG1 3.89Å; V103-I140 PolarHBondContact N-O 3.42Å; V103-A142 PolarHBondContact O-N 3.23Å; V103-L320 HydrophobicContact CG1-CB 4.45Å; V103-L320 HydrophobicContact CG2-CB 4.43Å; V103-L320 HydrophobicContact CG2-CD1 4.15Å; V103-L320 HydrophobicContact CG2-CG 4.44Å; V103-Y322 HydrophobicContact CG1-CD2 3.76Å; V103-Y322 HydrophobicContact CG1-CE2 3.62Å
104D98.6Very high94.2Very high3 Ų339.7 Ų39.72%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-96116178.7-172.1-17000110.5A142 H144 R310 L320 Y321 Y322D104-A142 VanDerWaalsContact CA-O 3.31Å; D104-A142 WeakPolarHBondContact CA-O 3.4Å; D104-H144 WeakPolarHBondContact OD1-CB 3.28Å; D104-R310 VanDerWaalsContact CG-NH2 3.34Å; D104-R310 IonicContact OD2-CZ 3.68Å; D104-R310 VanDerWaalsContact OD2-CZ 3.29Å; D104-R310 IonicContact OD2-NH1 3.81Å; D104-R310 PolarHBondContact OD2-NH1 3.2Å; D104-R310 IonicContact OD2-NH2 2.79Å; D104-R310 PolarHBondContact OD2-NH2 2.87Å; D104-L320 PolarHBondContact N-O 2.87Å; D104-Y321 HydrophobicContact CB-CD1 4.19Å; D104-Y322 PolarHBondContact O-N 3.31Å
105Y98.3Very high93.9Very high0 Ų040.1 Ų40.10%020%0.204CC..  trans-157.2165.9-176.373.4-68.3000112.6V103 A107 S121 T122 D126 V129 R141 A142 V234 T235 L236V103-Y105 HydrophobicContact CG1-CD1 4.04Å; Y105-A107 PolarHBondContact O-N 2.94Å; Y105-S121 WeakPolarHBondContact CA-OG 3.4Å; Y105-T122 VanDerWaalsContact CD2-O 3.3Å; Y105-T122 WeakPolarHBondContact CD2-O 3.34Å; Y105-T122 WeakPolarHBondContact CE2-O 3.48Å; Y105-D126 HydrophobicContact CE2-CB 3.94Å; Y105-V129 HydrophobicContact CE1-CG2 3.91Å; Y105-R141 HydrophobicContact CE1-CB 4.11Å; Y105-R141 HydrophobicContact CE1-CG 4.14Å; Y105-A142 PolarHBondContact N-O 2.99Å; Y105-V234 HydrophobicContact CE2-CG1 4.18Å; Y105-T235 PolarHBondContact OH-OG1 3.1Å; Y105-L236 HydrophobicContact CD1-CD2 4.39Å; Y105-L236 HydrophobicContact CD2-CD1 4.21Å; Y105-L236 HydrophobicContact CE1-CD1 4.38Å; Y105-L236 HydrophobicContact CE1-CD2 3.57Å; Y105-L236 HydrophobicContact CE1-CG 4Å; Y105-L236 HydrophobicContact CE2-CD1 3.77Å; Y105-L236 HydrophobicContact CE2-CD2 4.27Å; Y105-L236 HydrophobicContact CE2-CG 3.75Å; Y105-L236 VanDerWaalsContact CZ-CG 3.42Å; Y105-L236 WeakPolarHBondContact OH-CD2 3.35Å; Y105-L236 VanDerWaalsContact OH-CG 3.32Å; Y105-L236 WeakPolarHBondContact OH-CG 3.39Å
106S97.5Very high93.5Very high3 Ų336.4 Ų36.42%0.02118%0.182CC..  trans68.8-67.1-169.9-160.60000113.6S121 T122 Y229S106-S121 PolarHBondContact N-OG 3.29Å; S106-T122 WeakPolarHBondContact CB-OG1 3.4Å; S106-T122 PolarHBondContact OG-OG1 3.35Å; S106-Y229 WeakPolarHBondContact CB-OH 3.19Å; S106-Y229 WeakPolarHBondContact OG-CE1 3.06Å; S106-Y229 PolarHBondContact OG-OH 3.19Å
107A95.5Very high93.1Very high31 Ų3135 Ų3526%0.25618%0.177SC..  trans41.249.7172.800000115.7Y105 N143 H144Y105-A107 PolarHBondContact O-N 2.94Å; A107-N143 WeakPolarHBondContact CA-OD1 3.31Å; A107-N143 PolarHBondContact N-OD1 3.4Å; A107-N143 VanDerWaalsContact N-OD1 3.14Å; A107-H144 HydrophobicContact CB-CB 4.27Å; A107-H144 VanDerWaalsContact CB-O 3.31Å; A107-H144 WeakPolarHBondContact CB-O 3.24Å
108P94.5Very high93Very high1 Ų127.6 Ų27.61%0.00614%0.142CC..PPolyproline II helixtrans-69.8154.8177.931.4-36.2000111.8M114 N143 V145 G146 N225P108-M114 HydrophobicContact CB-CG 4.07Å; P108-M114 HydrophobicContact CG-CG 4.43Å; P108-N143 WeakPolarHBondContact CD-OD1 3.49Å; P108-V145 HydrophobicContact CG-CG1 4.29Å; P108-V145 VanDerWaalsContact O-CA 3.29Å; P108-V145 WeakPolarHBondContact O-CA 3.04Å; P108-V145 WeakPolarHBondContact O-CB 3.31Å; P108-G146 PolarHBondContact O-N 2.92Å; P108-N225 WeakPolarHBondContact CG-ND2 3.38Å
109N91.7Very high92.9Very high51 Ų5120.8 Ų20.827%0.27311%0.113SC..BIsolated β-bridgetrans-77.7140.9169.6-72.2-68.2000110.8K112N109-K112 HydrophobicContact CB-CD 4.16Å
110V89.1Confident92.7Very high5 Ų517.3 Ų17.33%0.0310%0.097CC..THydrogen-bonded Turntrans-68.4151174.8171.50000110.9K112 G146 D147 F152 V218 T221V110-K112 PolarHBondContact O-N 2.91Å; V110-G146 PolarHBondContact N-O 3.37Å; V110-D147 HydrophobicContact CG2-CB 3.64Å; V110-F152 HydrophobicContact CB-CE1 4.35Å; V110-F152 HydrophobicContact CB-CZ 3.75Å; V110-F152 HydrophobicContact CG1-CE1 3.74Å; V110-F152 HydrophobicContact CG1-CZ 3.66Å; V110-V218 HydrophobicContact CG1-CG2 4.07Å; V110-V218 HydrophobicContact CG2-CG2 4.34Å; V110-T221 HydrophobicContact CB-CG2 4.45Å; V110-T221 HydrophobicContact CG1-CG2 4.45Å
111A82.6Confident92.6Very high0 Ų016.6 Ų16.60%09%0.093CC..THydrogen-bonded Turntrans58.425.5-175.300000114.3L155 Y179 T221A111-L155 HydrophobicContact CB-CD1 3.43Å; A111-L155 VanDerWaalsContact CB-CD1 3.43Å; A111-L155 HydrophobicContact CB-CD2 4.09Å; A111-L155 HydrophobicContact CB-CG 4.39Å; A111-Y179 WeakPolarHBondContact O-CB 3.44Å; A111-T221 PolarHBondContact N-OG1 3.47Å
112K83.4Confident92.6Very high86 Ų8616.6 Ų16.637%0.3749%0.093SC..SBendtrans-134.2142.2168-66.2-178.3-177.6173.10108.2N109 V110N109-K112 HydrophobicContact CB-CD 4.16Å; V110-K112 PolarHBondContact O-N 2.91Å
113E85.4Confident92.5Very high30 Ų3016.7 Ų16.714%0.149%0.093CC..  trans-70.8151.1173.7-69-172.8-177.900111.6H115 E176 K375E113-H115 PolarHBondContact O-N 3.14Å; E113-E176 HydrophobicContact CG-CB 4.31Å; E113-K375 IonicContact OE1-NZ 3.97Å; E113-K375 PolarHBondContact OE1-NZ 2.79Å; E113-K375 WeakPolarHBondContact OE2-CD 3.39Å; E113-K375 WeakPolarHBondContact OE2-CE 3.41Å; E113-K375 WeakPolarHBondContact OE2-CG 3.44Å; E113-K375 IonicContact OE2-NZ 3.92Å; E113-K375 PolarHBondContact OE2-NZ 2.81Å
114M91.9Very high92.5Very high7 Ų716.8 Ų16.83%0.0349%0.093CC..  trans-66.9133.4172.5-68.4-176.471.800110.7P108 H118 N225 T228 Y229 L376P108-M114 HydrophobicContact CB-CG 4.07Å; P108-M114 HydrophobicContact CG-CG 4.43Å; M114-H118 HydrophobicContact CE-CB 3.78Å; M114-N225 WeakPolarHBondContact CG-OD1 3.28Å; M114-N225 HydrophobicContact SD-CB 4.19Å; M114-T228 HydrophobicContact SD-CG2 4.18Å; M114-Y229 HydrophobicContact CE-CD1 4.48Å; M114-Y229 HydrophobicContact CE-CE1 3.63Å; M114-Y229 HydrophobicContact SD-CE1 3.84Å; M114-L376 HydrophobicContact CB-CB 4.17Å; M114-L376 HydrophobicContact CB-CD2 4.14Å; M114-L376 HydrophobicContact CE-CD2 4.05Å; M114-L376 VanDerWaalsContact O-CB 3.29Å; M114-L376 WeakPolarHBondContact O-CB 3.23Å; M114-L376 PolarHBondContact O-N 3.32Å
115H89.1Confident92.5Very high63 Ų6316.6 Ų16.629%0.2929%0.093SC..BIsolated β-bridgetrans-115.9174174.157.252.4000111.9E113 G117 H118 L119 T373 V374E113-H115 PolarHBondContact O-N 3.14Å; H115-G117 WeakPolarHBondContact ND1-CA 3.23Å; H115-G117 PolarHBondContact ND1-N 3.31Å; H115-G117 VanDerWaalsContact ND1-N 3.11Å; H115-G117 PolarHBondContact O-N 3.01Å; H115-H118 AromaticContact CD2-CE1 3.6Å; H115-H118 AromaticContact CD2-ND1 3.91Å; H115-H118 AromaticContact CE1-CD2 3.95Å; H115-H118 AromaticContact CE1-CE1 3.32Å; H115-H118 PolarHBondContact CE1-CE1 3.32Å; H115-H118 AromaticContact CE1-CG 3.88Å; H115-H118 AromaticContact CE1-ND1 3.52Å; H115-H118 AromaticContact CE1-NE2 3.59Å; H115-H118 AromaticContact CG-CE1 3.92Å; H115-H118 AromaticContact CG-ND1 3.75Å; H115-H118 PolarHBondContact N-ND1 3.3Å; H115-H118 AromaticContact ND1-CE1 3.75Å; H115-H118 AromaticContact ND1-CG 3.94Å; H115-H118 PolarHBondContact ND1-N 3.45Å; H115-H118 AromaticContact ND1-ND1 3.49Å; H115-H118 PolarHBondContact ND1-ND1 3.38Å; H115-H118 AromaticContact NE2-CE1 3.24Å; H115-H118 PolarHBondContact NE2-CE1 2.85Å; H115-H118 AromaticContact NE2-ND1 3.8Å; H115-H118 AromaticContact NE2-NE2 3.69Å; H115-H118 WeakPolarHBondContact O-CB 3.25Å; H115-H118 PolarHBondContact O-N 2.73Å; H115-L119 PolarHBondContact O-N 3.27Å; H115-T373 HydrophobicContact CB-CG2 3.2Å; H115-V374 WeakPolarHBondContact CA-O 3.32Å
116V86.2Confident92.5Very high11 Ų1116.6 Ų16.67%0.0679%0.093CC..Hα-helixtrans-54.4-26.5-179.6-62.40000115.8L119 M358 F366 V374 L379V116-L119 WeakPolarHBondContact O-CB 3.2Å; V116-L119 PolarHBondContact O-N 3.35Å; V116-M358 HydrophobicContact CB-CE 4.18Å; V116-M358 HydrophobicContact CB-SD 3.66Å; V116-M358 HydrophobicContact CG1-SD 4.03Å; V116-M358 HydrophobicContact CG2-CB 4.41Å; V116-M358 HydrophobicContact CG2-SD 4.2Å; V116-F366 HydrophobicContact CG1-CD1 3.99Å; V116-F366 HydrophobicContact CG1-CE1 4.27Å; V116-F366 HydrophobicContact CG2-CD1 4.22Å; V116-V374 HydrophobicContact CG1-CB 4.08Å; V116-V374 HydrophobicContact CG1-CG1 4.23Å; V116-L379 HydrophobicContact CG1-CD1 3.62Å
117G85.1Confident92.6Very high26 Ų2616.5 Ų16.527%0.2689%0.092SC..Hα-helixtrans-64.1-37.4171.200000113.6H115H115-G117 WeakPolarHBondContact ND1-CA 3.23Å; H115-G117 PolarHBondContact ND1-N 3.31Å; H115-G117 VanDerWaalsContact ND1-N 3.11Å; H115-G117 PolarHBondContact O-N 3.01Å
118H93.2Very high92.7Very high21 Ų2115 Ų1510%0.0978%0.08CC..Hα-helixtrans-71.6-38.4175.2-56124.9000110.3M114 H115 R120 S121 T122M114-H118 HydrophobicContact CE-CB 3.78Å; H115-H118 AromaticContact CD2-CE1 3.6Å; H115-H118 AromaticContact CD2-ND1 3.91Å; H115-H118 AromaticContact CE1-CD2 3.95Å; H115-H118 AromaticContact CE1-CE1 3.32Å; H115-H118 PolarHBondContact CE1-CE1 3.32Å; H115-H118 AromaticContact CE1-CG 3.88Å; H115-H118 AromaticContact CE1-ND1 3.52Å; H115-H118 AromaticContact CE1-NE2 3.59Å; H115-H118 AromaticContact CG-CE1 3.92Å; H115-H118 AromaticContact CG-ND1 3.75Å; H115-H118 PolarHBondContact N-ND1 3.3Å; H115-H118 AromaticContact ND1-CE1 3.75Å; H115-H118 AromaticContact ND1-CG 3.94Å; H115-H118 PolarHBondContact ND1-N 3.45Å; H115-H118 AromaticContact ND1-ND1 3.49Å; H115-H118 PolarHBondContact ND1-ND1 3.38Å; H115-H118 AromaticContact NE2-CE1 3.24Å; H115-H118 PolarHBondContact NE2-CE1 2.85Å; H115-H118 AromaticContact NE2-ND1 3.8Å; H115-H118 AromaticContact NE2-NE2 3.69Å; H115-H118 WeakPolarHBondContact O-CB 3.25Å; H115-H118 PolarHBondContact O-N 2.73Å; H118-R120 VanDerWaalsContact C-N 3.27Å; H118-R120 PolarHBondContact O-N 3.13Å; H118-S121 PolarHBondContact O-N 3.17Å; H118-S121 VanDerWaalsContact O-N 3.07Å; H118-T122 WeakPolarHBondContact O-CB 3.24Å; H118-T122 PolarHBondContact O-N 3.38Å; H118-T122 PolarHBondContact O-OG1 3.21Å
119L94.7Very high92.9Very high3 Ų315 Ų152%0.0168%0.079CC..Hα-helixtrans-47.9-48.8177.8174.462.6000111.9H115 V116 S121 T122 I123 L232 M358 L376 V415H115-L119 PolarHBondContact O-N 3.27Å; V116-L119 WeakPolarHBondContact O-CB 3.2Å; V116-L119 PolarHBondContact O-N 3.35Å; L119-S121 PolarHBondContact O-N 3.3Å; L119-T122 WeakPolarHBondContact O-CB 3.35Å; L119-T122 PolarHBondContact O-N 3.02Å; L119-I123 HydrophobicContact CD1-CD1 4.4Å; L119-I123 HydrophobicContact CD1-CG2 3.63Å; L119-I123 HydrophobicContact CG-CD1 4.4Å; L119-I123 WeakPolarHBondContact O-CG1 3.34Å; L119-I123 PolarHBondContact O-N 2.67Å; L119-L232 HydrophobicContact CD1-CD1 3.88Å; L119-L232 HydrophobicContact CD1-CD2 3.93Å; L119-M358 HydrophobicContact CD2-CE 4.21Å; L119-L376 HydrophobicContact CB-CD1 3.97Å; L119-L376 HydrophobicContact CB-CD2 4.11Å; L119-L376 HydrophobicContact CD1-CD1 4Å; L119-L376 HydrophobicContact CD1-CD2 4.41Å; L119-L376 HydrophobicContact CD2-CD1 3.89Å; L119-L376 HydrophobicContact CG-CD1 4.17Å; L119-V415 HydrophobicContact CD1-CG1 4.25Å; L119-V415 HydrophobicContact CD2-CG1 3.82Å
120R94.9Very high93.2Very high1 Ų113.8 Ų13.80%0.0047%0.071CC..Hα-helixtrans-56.9-52.7179.7-56.7-149.769.5-169.21.3111.6H118 T122 I124 F355 G356 M358 D419 T426H118-R120 VanDerWaalsContact C-N 3.27Å; H118-R120 PolarHBondContact O-N 3.13Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.96Å; R120-I124 HydrophobicContact CB-CD1 4.25Å; R120-I124 VanDerWaalsContact O-CB 3.3Å; R120-I124 WeakPolarHBondContact O-CB 3.43Å; R120-I124 VanDerWaalsContact O-CD1 3.31Å; R120-I124 WeakPolarHBondContact O-CD1 3.38Å; R120-I124 WeakPolarHBondContact O-CG1 3.47Å; R120-I124 PolarHBondContact O-N 2.83Å; R120-F355 HydrophobicContact CB-CD2 3.89Å; R120-F355 HydrophobicContact CB-CE2 4.01Å; R120-F355 HydrophobicContact CB-CG 4.24Å; R120-F355 HydrophobicContact CB-CZ 4.45Å; R120-G356 WeakPolarHBondContact CD-O 3.29Å; R120-G356 PolarHBondContact NH1-O 3.36Å; R120-M358 HydrophobicContact CG-CE 4.08Å; R120-D419 WeakPolarHBondContact CD-OD2 3.29Å; R120-D419 WeakPolarHBondContact CG-OD2 3.31Å; R120-D419 IonicContact CZ-OD1 3.44Å; R120-D419 IonicContact CZ-OD2 3.34Å; R120-D419 IonicContact NE-OD1 2.68Å; R120-D419 PolarHBondContact NE-OD1 2.93Å; R120-D419 VanDerWaalsContact NE-OD1 3.14Å; R120-D419 IonicContact NE-OD2 3.96Å; R120-D419 PolarHBondContact NE-OD2 3.34Å; R120-D419 IonicContact NH2-OD1 2.68Å; R120-D419 PolarHBondContact NH2-OD1 2.89Å; R120-D419 IonicContact NH2-OD2 2.94Å; R120-T426 PolarHBondContact NH1-O 3.5Å
121S96.9Very high93.7Very high7 Ų713.7 Ų13.75%0.0497%0.07CC..Hα-helixtrans-57.4-47.7177.2-176.60000111Y105 S106 H118 L119 I123 G125 Y322Y105-S121 WeakPolarHBondContact CA-OG 3.4Å; S106-S121 PolarHBondContact N-OG 3.29Å; H118-S121 PolarHBondContact O-N 3.17Å; H118-S121 VanDerWaalsContact O-N 3.07Å; L119-S121 PolarHBondContact O-N 3.3Å; S121-I123 PolarHBondContact O-N 3.27Å; S121-G125 PolarHBondContact O-N 3.11Å; S121-Y322 PolarHBondContact OG-O 3.41Å
122T98.1Very high94.4Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-56.8-52.5-178.2-50.80000111.8Y105 S106 H118 L119 R120 D126 Y229 L232 V234Y105-T122 VanDerWaalsContact CD2-O 3.3Å; Y105-T122 WeakPolarHBondContact CD2-O 3.34Å; Y105-T122 WeakPolarHBondContact CE2-O 3.48Å; S106-T122 WeakPolarHBondContact CB-OG1 3.4Å; S106-T122 PolarHBondContact OG-OG1 3.35Å; H118-T122 WeakPolarHBondContact O-CB 3.24Å; H118-T122 PolarHBondContact O-N 3.38Å; H118-T122 PolarHBondContact O-OG1 3.21Å; L119-T122 WeakPolarHBondContact O-CB 3.35Å; L119-T122 PolarHBondContact O-N 3.02Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.96Å; T122-D126 VanDerWaalsContact O-CB 3.25Å; T122-D126 WeakPolarHBondContact O-CB 3.42Å; T122-D126 PolarHBondContact O-N 3.39Å; T122-Y229 HydrophobicContact CG2-CD1 3.92Å; T122-Y229 HydrophobicContact CG2-CE1 3.87Å; T122-L232 HydrophobicContact CG2-CD1 4.45Å; T122-V234 HydrophobicContact CG2-CB 4.27Å; T122-V234 HydrophobicContact CG2-CG1 3.82Å; T122-V234 HydrophobicContact CG2-CG2 3.7Å
123I97.8Very high95.1Very high1 Ų113.3 Ų13.31%0.0057%0.07CC..Hα-helixtrans-79.2-34.5-173.366.4-178.8000112.9L119 S121 A127 K416 D419 L420L119-I123 HydrophobicContact CD1-CD1 4.4Å; L119-I123 HydrophobicContact CD1-CG2 3.63Å; L119-I123 HydrophobicContact CG-CD1 4.4Å; L119-I123 WeakPolarHBondContact O-CG1 3.34Å; L119-I123 PolarHBondContact O-N 2.67Å; S121-I123 PolarHBondContact O-N 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.32Å; I123-A127 PolarHBondContact O-N 3.29Å; I123-K416 HydrophobicContact CB-CG 4.46Å; I123-K416 HydrophobicContact CG2-CG 4.02Å; I123-D419 HydrophobicContact CD1-CB 3.61Å; I123-L420 HydrophobicContact CB-CD2 4.48Å; I123-L420 HydrophobicContact CD1-CG 4.31Å; I123-L420 HydrophobicContact CG1-CD2 4.11Å; I123-L420 HydrophobicContact CG1-CG 4.38Å
124I98Very high95.7Very high2 Ų213.5 Ų13.51%0.017%0.07CC..Hα-helixtrans-69.6-44.5177.9-60.8166.5000109.3R120 A127 A128 Y322 F355 L420 R424 P502R120-I124 HydrophobicContact CB-CD1 4.25Å; R120-I124 VanDerWaalsContact O-CB 3.3Å; R120-I124 WeakPolarHBondContact O-CB 3.43Å; R120-I124 VanDerWaalsContact O-CD1 3.31Å; R120-I124 WeakPolarHBondContact O-CD1 3.38Å; R120-I124 WeakPolarHBondContact O-CG1 3.47Å; R120-I124 PolarHBondContact O-N 2.83Å; I124-A127 PolarHBondContact O-N 2.89Å; I124-A128 PolarHBondContact O-N 3.4Å; I124-A128 VanDerWaalsContact O-N 3.13Å; I124-Y322 HydrophobicContact CB-CD1 4.17Å; I124-Y322 HydrophobicContact CB-CE1 4.44Å; I124-Y322 HydrophobicContact CG2-CD1 3.51Å; I124-Y322 HydrophobicContact CG2-CE1 3.41Å; I124-Y322 VanDerWaalsContact CG2-CE1 3.41Å; I124-F355 HydrophobicContact CD1-CB 3.99Å; I124-F355 HydrophobicContact CD1-CD1 4.26Å; I124-F355 HydrophobicContact CD1-CG 4.29Å; I124-L420 HydrophobicContact CB-CD2 4.45Å; I124-L420 HydrophobicContact CG1-CD2 3.97Å; I124-R424 HydrophobicContact CD1-CB 3.9Å; I124-P502 HydrophobicContact CG2-CG 4.2Å
125G98.3Very high96Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-62.6-44.717600000112.5S121 A127 A128 V129S121-G125 PolarHBondContact O-N 3.11Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 2.97Å; G125-A128 WeakPolarHBondContact O-CB 3.44Å; G125-A128 PolarHBondContact O-N 3.04Å; G125-V129 WeakPolarHBondContact O-CG2 3.39Å; G125-V129 PolarHBondContact O-N 3.13Å
126D98.7Very high96.4Very high0 Ų011.7 Ų11.70%07%0.069CC..Hα-helixtrans-61-42.1177.5-170.861.4000111.9Y105 T122 A128 V129 R130 V234 T235 K416Y105-D126 HydrophobicContact CE2-CB 3.94Å; T122-D126 VanDerWaalsContact O-CB 3.25Å; T122-D126 WeakPolarHBondContact O-CB 3.42Å; T122-D126 PolarHBondContact O-N 3.39Å; D126-A128 VanDerWaalsContact C-N 3.32Å; D126-A128 PolarHBondContact O-N 3.2Å; D126-V129 PolarHBondContact O-N 3.49Å; D126-R130 VanDerWaalsContact O-CG 3.27Å; D126-R130 WeakPolarHBondContact O-CG 3.46Å; D126-R130 PolarHBondContact O-N 2.91Å; D126-R130 IonicContact OD1-NE 2.84Å; D126-R130 IonicContact OD2-CZ 3.28Å; D126-R130 IonicContact OD2-NE 3.79Å; D126-R130 PolarHBondContact OD2-NE 3.46Å; D126-R130 IonicContact OD2-NH2 2.89Å; D126-V234 HydrophobicContact CB-CG1 4.17Å; D126-V234 HydrophobicContact CB-CG2 4.29Å; D126-T235 WeakPolarHBondContact OD1-CB 3Å; D126-T235 WeakPolarHBondContact OD1-CG2 3.07Å; D126-T235 PolarHBondContact OD1-N 2.85Å; D126-T235 PolarHBondContact OD1-OG1 2.74Å; D126-K416 IonicContact OD2-NZ 2.91Å
127A98.7Very high97Very high0 Ų012.3 Ų12.30%07%0.071CC..Hα-helixtrans-62.9-38.7176.700000112.5I123 I124 G125 T131 L420 P502 T554 L555I123-A127 WeakPolarHBondContact O-CB 3.32Å; I123-A127 PolarHBondContact O-N 3.29Å; I124-A127 PolarHBondContact O-N 2.89Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 2.97Å; A127-T131 WeakPolarHBondContact O-CB 3.44Å; A127-T131 PolarHBondContact O-N 3.47Å; A127-T131 VanDerWaalsContact O-N 3.13Å; A127-T131 PolarHBondContact O-OG1 3.5Å; A127-L420 HydrophobicContact CB-CD1 4.42Å; A127-L420 HydrophobicContact CB-CD2 4.21Å; A127-P502 HydrophobicContact CB-CB 4.21Å; A127-P502 HydrophobicContact CB-CG 3.82Å; A127-T554 VanDerWaalsContact CA-O 3.22Å; A127-T554 WeakPolarHBondContact CA-O 3.31Å; A127-L555 HydrophobicContact CB-CD2 4.4Å
128A98.4Very high97.6Very high1 Ų116 Ų161%0.0088%0.079CC..Hα-helixtrans-67.6-44.7175.400000112I124 G125 D126 R130 T131 L132 Y322I124-A128 PolarHBondContact O-N 3.4Å; I124-A128 VanDerWaalsContact O-N 3.13Å; G125-A128 WeakPolarHBondContact O-CB 3.44Å; G125-A128 PolarHBondContact O-N 3.04Å; D126-A128 VanDerWaalsContact C-N 3.32Å; D126-A128 PolarHBondContact O-N 3.2Å; A128-R130 PolarHBondContact O-N 3.32Å; A128-T131 PolarHBondContact O-N 3.18Å; A128-L132 WeakPolarHBondContact O-CB 3.18Å; A128-L132 WeakPolarHBondContact O-CG 3.36Å; A128-L132 PolarHBondContact O-N 2.97Å; A128-Y322 HydrophobicContact CB-CE2 3.99Å; A128-Y322 WeakPolarHBondContact CB-OH 3.32Å
129V98.6Very high97.9Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-57.3-51.1177.1165.90000110.9V103 Y105 G125 D126 T131 L132 E133 V139 R141V103-V129 HydrophobicContact CB-CG2 3.76Å; V103-V129 HydrophobicContact CG1-CG2 3.75Å; V103-V129 HydrophobicContact CG2-CG2 4Å; Y105-V129 HydrophobicContact CE1-CG2 3.91Å; G125-V129 WeakPolarHBondContact O-CG2 3.39Å; G125-V129 PolarHBondContact O-N 3.13Å; D126-V129 PolarHBondContact O-N 3.49Å; V129-T131 VanDerWaalsContact C-N 3.3Å; V129-T131 PolarHBondContact O-N 3.11Å; V129-L132 PolarHBondContact O-N 3.34Å; V129-E133 HydrophobicContact CG1-CG 4.45Å; V129-E133 WeakPolarHBondContact O-CB 3.49Å; V129-E133 WeakPolarHBondContact O-CG 3.35Å; V129-E133 PolarHBondContact O-N 2.96Å; V129-V139 HydrophobicContact CB-CG1 4.32Å; V129-V139 HydrophobicContact CG1-CG1 3.94Å; V129-V139 HydrophobicContact CG2-CG1 3.97Å; V129-R141 HydrophobicContact CG1-CG 4.02Å; V129-R141 HydrophobicContact CG2-CG 4.23Å
130R98.6Very high98.1Very high26 Ų2617 Ų1710%0.0989%0.086CC..Hα-helixtrans-59.4-41.3179.1-69.1166.4172.4-84.90.1112.1D126 A128 F134 N233 T235 D553D126-R130 VanDerWaalsContact O-CG 3.27Å; D126-R130 WeakPolarHBondContact O-CG 3.46Å; D126-R130 PolarHBondContact O-N 2.91Å; D126-R130 IonicContact OD1-NE 2.84Å; D126-R130 IonicContact OD2-CZ 3.28Å; D126-R130 IonicContact OD2-NE 3.79Å; D126-R130 PolarHBondContact OD2-NE 3.46Å; D126-R130 IonicContact OD2-NH2 2.89Å; A128-R130 PolarHBondContact O-N 3.32Å; R130-F134 WeakPolarHBondContact O-CB 3.47Å; R130-F134 PolarHBondContact O-N 3.23Å; R130-N233 PolarHBondContact NH2-O 2.87Å; R130-N233 PolarHBondContact NH2-OD1 2.85Å; R130-N233 VanDerWaalsContact NH2-OD1 3.1Å; R130-T235 HydrophobicContact CG-CG2 4.29Å; R130-D553 WeakPolarHBondContact CD-O 3.32Å; R130-D553 PolarHBondContact NH1-O 3.11Å; R130-D553 IonicContact NH1-OD1 3.04Å
131T98.6Very high98.3Very high2 Ų218.5 Ų18.51%0.0129%0.092CC..Hα-helixtrans-64.3-45.8176.5-55.80000111.6A127 A128 V129 F134 L135 L493 V496 A497A127-T131 WeakPolarHBondContact O-CB 3.44Å; A127-T131 PolarHBondContact O-N 3.47Å; A127-T131 VanDerWaalsContact O-N 3.13Å; A127-T131 PolarHBondContact O-OG1 3.5Å; A128-T131 PolarHBondContact O-N 3.18Å; V129-T131 VanDerWaalsContact C-N 3.3Å; V129-T131 PolarHBondContact O-N 3.11Å; T131-F134 PolarHBondContact O-N 2.98Å; T131-L135 HydrophobicContact CG2-CD1 4.49Å; T131-L135 WeakPolarHBondContact O-CG 3.42Å; T131-L135 PolarHBondContact O-N 3Å; T131-L493 HydrophobicContact CG2-CD2 3.97Å; T131-V496 HydrophobicContact CG2-CB 4.23Å; T131-V496 HydrophobicContact CG2-CG1 4.1Å; T131-A497 HydrophobicContact CG2-CB 4.05Å
132L98.5Very high98.3Very high1 Ų118.2 Ų18.21%0.0059%0.09CC..Hα-helixtrans-66-39.8-179.7-70.3168.2000112.2I101 V103 A128 V129 L135 G136 H137 V139 L320 A497I101-L132 HydrophobicContact CD1-CD1 4.34Å; I101-L132 HydrophobicContact CD1-CD2 3.72Å; I101-L132 HydrophobicContact CG2-CD1 4.06Å; V103-L132 HydrophobicContact CG2-CD1 4Å; A128-L132 WeakPolarHBondContact O-CB 3.18Å; A128-L132 WeakPolarHBondContact O-CG 3.36Å; A128-L132 PolarHBondContact O-N 2.97Å; V129-L132 PolarHBondContact O-N 3.34Å; L132-L135 PolarHBondContact O-N 3.47Å; L132-G136 PolarHBondContact O-N 3.07Å; L132-H137 PolarHBondContact O-CD2 2.94Å; L132-H137 PolarHBondContact O-N 3.4Å; L132-H137 VanDerWaalsContact O-N 3.13Å; L132-V139 HydrophobicContact CB-CG2 3.53Å; L132-L320 HydrophobicContact CD1-CD1 3.95Å; L132-A497 HydrophobicContact CD2-CB 3.78Å
133E98.1Very high98.3Very high77 Ų7718.2 Ų18.236%0.369%0.09SC..Hα-helixtrans-66.1-42.5174.1-73.5-175.3146.300111.7V129 L135 G136 V139 R141V129-E133 HydrophobicContact CG1-CG 4.45Å; V129-E133 WeakPolarHBondContact O-CB 3.49Å; V129-E133 WeakPolarHBondContact O-CG 3.35Å; V129-E133 PolarHBondContact O-N 2.96Å; E133-L135 VanDerWaalsContact C-N 3.25Å; E133-L135 PolarHBondContact O-N 2.84Å; E133-G136 WeakPolarHBondContact O-CA 3.48Å; E133-G136 PolarHBondContact O-N 3.46Å; E133-V139 HydrophobicContact CG-CB 3.84Å; E133-V139 HydrophobicContact CG-CG2 3.61Å; E133-R141 IonicContact OE1-CZ 3.7Å; E133-R141 VanDerWaalsContact OE1-CZ 3.22Å; E133-R141 IonicContact OE1-NH1 3.09Å; E133-R141 PolarHBondContact OE1-NH1 3.47Å; E133-R141 IonicContact OE1-NH2 3.79Å; E133-R141 PolarHBondContact OE1-NH2 3.47Å; E133-R141 IonicContact OE2-CZ 3.85Å; E133-R141 IonicContact OE2-NH1 3.32Å; E133-R141 IonicContact OE2-NH2 2.74Å; E133-R141 PolarHBondContact OE2-NH2 2.9Å
134F98.2Very high98.3Very high35 Ų3519.1 Ų19.115%0.1549%0.094CC..Hα-helixtrans-57.2-42.7174.2178.3-100.4000110.7R90 V93 R130 T131 G136 L493 L550R90-F134 HydrophobicContact CB-CZ 4.15Å; R90-F134 PolarHBondContact NH1-O 3.02Å; R90-F134 PolarHBondContact NH2-O 2.86Å; V93-F134 HydrophobicContact CB-CE1 3.99Å; V93-F134 HydrophobicContact CB-CZ 4.31Å; V93-F134 HydrophobicContact CG1-CE1 3.9Å; V93-F134 HydrophobicContact CG2-CE1 4.09Å; V93-F134 HydrophobicContact CG2-CZ 4.41Å; R130-F134 WeakPolarHBondContact O-CB 3.47Å; R130-F134 PolarHBondContact O-N 3.23Å; T131-F134 PolarHBondContact O-N 2.98Å; F134-G136 PolarHBondContact O-N 3.05Å; F134-L493 HydrophobicContact CD1-CD1 3.79Å; F134-L493 HydrophobicContact CD1-CD2 4.27Å; F134-L493 HydrophobicContact CE1-CD1 3.51Å; F134-L550 HydrophobicContact CD2-CD1 3.74Å; F134-L550 HydrophobicContact CD2-CD2 4.23Å; F134-L550 HydrophobicContact CE1-CD2 4.08Å; F134-L550 HydrophobicContact CE2-CD1 3.76Å; F134-L550 HydrophobicContact CE2-CD2 3.48Å; F134-L550 VanDerWaalsContact CE2-CD2 3.48Å; F134-L550 HydrophobicContact CE2-CG 4.22Å; F134-L550 HydrophobicContact CG-CD1 4.39Å; F134-L550 HydrophobicContact CZ-CD1 4.42Å; F134-L550 HydrophobicContact CZ-CD2 3.41Å; F134-L550 VanDerWaalsContact CZ-CD2 3.41Å; F134-L550 HydrophobicContact CZ-CG 4.43Å
135L97.9Very high98.2Very high6 Ų619 Ų193%0.0319%0.093CC..THydrogen-bonded Turntrans-71.4-0.9175-66.7176.3000114.3V93 P96 T131 L132 E133 L493 A497V93-L135 HydrophobicContact CG1-CD2 3.9Å; P96-L135 VanDerWaalsContact CD-O 3.24Å; P96-L135 WeakPolarHBondContact CD-O 3.49Å; P96-L135 HydrophobicContact CG-CB 4.01Å; T131-L135 HydrophobicContact CG2-CD1 4.49Å; T131-L135 WeakPolarHBondContact O-CG 3.42Å; T131-L135 PolarHBondContact O-N 3Å; L132-L135 PolarHBondContact O-N 3.47Å; E133-L135 VanDerWaalsContact C-N 3.25Å; E133-L135 PolarHBondContact O-N 2.84Å; L135-L493 HydrophobicContact CD2-CB 4.28Å; L135-A497 HydrophobicContact CD1-CB 3.38Å
136G97.4Very high98Very high25 Ų2519.1 Ų19.126%0.2589%0.094SC..THydrogen-bonded Turntrans87.510.4171.600000115.4L132 E133 F134L132-G136 PolarHBondContact O-N 3.07Å; E133-G136 WeakPolarHBondContact O-CA 3.48Å; E133-G136 PolarHBondContact O-N 3.46Å; F134-G136 PolarHBondContact O-N 3.05Å
137H98.4Very high97.8Very high25 Ų2519.4 Ų19.412%0.11610%0.096CC..  trans-67.8155.5171.7-60.7-69.3000111.3E97 Q99 I101 L132 V139E97-H137 PolarHBondContact O-CE1 3.26Å; Q99-H137 PolarHBondContact N-ND1 3.17Å; I101-H137 HydrophobicContact CD1-CB 3.88Å; I101-H137 HydrophobicContact CG1-CB 4.43Å; L132-H137 PolarHBondContact O-CD2 2.94Å; L132-H137 PolarHBondContact O-N 3.4Å; L132-H137 VanDerWaalsContact O-N 3.13Å; H137-V139 HydrophobicContact CB-CG2 4.33Å; H137-V139 PolarHBondContact O-N 2.91Å
138K98.5Very high97.5Very high102 Ų10221.4 Ų21.444%0.44310%0.103SC..EExtended strand (participates in β ladder)trans-83.5101.5166.3178-173.2173.3-164.60107.5Q99 T100 I101Q99-K138 PolarHBondContact O-N 3.31Å; T100-K138 CarbonylContact C-O 3.48Å; T100-K138 WeakPolarHBondContact CA-O 3.15Å; T100-K138 HydrophobicContact CG2-CD 4.06Å; T100-K138 HydrophobicContact CG2-CG 4.48Å; I101-K138 PolarHBondContact N-O 2.85Å
139V98.7Very high96.9Very high19 Ų1922.2 Ų22.212%0.11511%0.112CC..EExtended strand (participates in β ladder)trans-92.7128.5179.4-173.50000110I101 V103 V129 L132 E133 H137I101-V139 CarbonylContact O-C 3.47Å; I101-V139 WeakPolarHBondContact O-CA 3.3Å; V103-V139 HydrophobicContact CG2-CG1 3.89Å; V129-V139 HydrophobicContact CB-CG1 4.32Å; V129-V139 HydrophobicContact CG1-CG1 3.94Å; V129-V139 HydrophobicContact CG2-CG1 3.97Å; L132-V139 HydrophobicContact CB-CG2 3.53Å; E133-V139 HydrophobicContact CG-CB 3.84Å; E133-V139 HydrophobicContact CG-CG2 3.61Å; H137-V139 HydrophobicContact CB-CG2 4.33Å; H137-V139 PolarHBondContact O-N 2.91Å
140I98.7Very high96.3Very high28 Ų2827 Ų2714%0.14414%0.141CC..EExtended strand (participates in β ladder)trans-108.7108.1171-58.3172.8000106.6T100 I101 V102 V103 M242 L314T100-I140 HydrophobicContact CG2-CD1 3.69Å; T100-I140 HydrophobicContact CG2-CG1 4.35Å; I101-I140 PolarHBondContact O-N 3.26Å; V102-I140 CarbonylContact C-O 3.58Å; V102-I140 VanDerWaalsContact CA-O 3.31Å; V102-I140 WeakPolarHBondContact CA-O 3.25Å; V102-I140 HydrophobicContact CG2-CB 4.09Å; V102-I140 HydrophobicContact CG2-CD1 4.25Å; V103-I140 PolarHBondContact N-O 3.42Å; I140-M242 HydrophobicContact CG2-CE 3.74Å; I140-L314 HydrophobicContact CD1-CB 3.9Å; I140-L314 HydrophobicContact CD1-CD1 4.46Å; I140-L314 HydrophobicContact CG2-CD1 4.21Å
141R98.7Very high95.9Very high32 Ų3227.6 Ų27.612%0.12115%0.145CC..EExtended strand (participates in β ladder)trans-72.3136.2173-61165.3177.572.11.8108.1Y105 V129 E133 T235 L236 D240Y105-R141 HydrophobicContact CE1-CB 4.11Å; Y105-R141 HydrophobicContact CE1-CG 4.14Å; V129-R141 HydrophobicContact CG1-CG 4.02Å; V129-R141 HydrophobicContact CG2-CG 4.23Å; E133-R141 IonicContact OE1-CZ 3.7Å; E133-R141 VanDerWaalsContact OE1-CZ 3.22Å; E133-R141 IonicContact OE1-NH1 3.09Å; E133-R141 PolarHBondContact OE1-NH1 3.47Å; E133-R141 IonicContact OE1-NH2 3.79Å; E133-R141 PolarHBondContact OE1-NH2 3.47Å; E133-R141 IonicContact OE2-CZ 3.85Å; E133-R141 IonicContact OE2-NH1 3.32Å; E133-R141 IonicContact OE2-NH2 2.74Å; E133-R141 PolarHBondContact OE2-NH2 2.9Å; R141-T235 WeakPolarHBondContact CD-O 3.46Å; R141-T235 PolarHBondContact NE-O 2.96Å; R141-T235 PolarHBondContact NE-OG1 3.14Å; R141-T235 PolarHBondContact NH2-OG1 3.18Å; R141-T235 VanDerWaalsContact NH2-OG1 3.15Å; R141-L236 HydrophobicContact CB-CD2 3.98Å; R141-D240 HydrophobicContact CB-CB 3.89Å; R141-D240 WeakPolarHBondContact CB-OD1 3.21Å
142A98.5Very high95.6Very high0 Ų027.5 Ų27.50%015%0.145CC..EExtended strand (participates in β ladder)trans-127.4110.6174.100000108.3V102 V103 D104 Y105 H144 M242V102-A142 HydrophobicContact CG1-CB 4.07Å; V103-A142 PolarHBondContact O-N 3.23Å; D104-A142 VanDerWaalsContact CA-O 3.31Å; D104-A142 WeakPolarHBondContact CA-O 3.4Å; Y105-A142 PolarHBondContact N-O 2.99Å; A142-H144 PolarHBondContact O-N 2.89Å; A142-M242 HydrophobicContact CB-CB 4.44Å; A142-M242 HydrophobicContact CB-CG 4.41Å; A142-M242 HydrophobicContact CB-SD 3.86Å
143N97.9Very high95.3Very high0 Ų027.5 Ų27.50%014%0.144CC..BIsolated β-bridgetrans-91.790.9168.3-175.911.8000107.9A107 P108 V145 Y229 L236 D240 M242A107-N143 WeakPolarHBondContact CA-OD1 3.31Å; A107-N143 PolarHBondContact N-OD1 3.4Å; A107-N143 VanDerWaalsContact N-OD1 3.14Å; P108-N143 WeakPolarHBondContact CD-OD1 3.49Å; N143-V145 PolarHBondContact O-N 3.02Å; N143-V145 WeakPolarHBondContact OD1-CG1 3.49Å; N143-Y229 PolarHBondContact ND2-OH 3.47Å; N143-L236 HydrophobicContact CB-CD1 4.26Å; N143-L236 HydrophobicContact CB-CD2 4.06Å; N143-D240 PolarHBondContact N-O 3.07Å; N143-M242 PolarHBondContact O-N 3.43Å
144H97.3Very high95.1Very high20 Ų2024.3 Ų24.39%0.09313%0.13CC..  trans-77.268-175.5-168.859.3000111.8D104 A107 A142 M242 Y247 D303D104-H144 WeakPolarHBondContact OD1-CB 3.28Å; A107-H144 HydrophobicContact CB-CB 4.27Å; A107-H144 VanDerWaalsContact CB-O 3.31Å; A107-H144 WeakPolarHBondContact CB-O 3.24Å; A142-H144 PolarHBondContact O-N 2.89Å; H144-M242 WeakPolarHBondContact CA-O 3.37Å; H144-M242 PolarHBondContact ND1-O 3.44Å; H144-Y247 AromaticContact CE1-CD2 3.92Å; H144-Y247 AromaticContact CE1-CE2 3.35Å; H144-Y247 WeakPolarHBondContact CE1-CE2 3.43Å; H144-Y247 AromaticContact ND1-CE2 3.57Å; H144-D303 IonicContact NE2-OD1 3.15Å
145V96.1Very high95Very high0 Ų022.6 Ų22.60%012%0.122CC..  trans-66.3140.2-175-63.80000112P108 N143 D147 M222 V241 G243 E244P108-V145 HydrophobicContact CG-CG1 4.29Å; P108-V145 VanDerWaalsContact O-CA 3.29Å; P108-V145 WeakPolarHBondContact O-CA 3.04Å; P108-V145 WeakPolarHBondContact O-CB 3.31Å; N143-V145 PolarHBondContact O-N 3.02Å; N143-V145 WeakPolarHBondContact OD1-CG1 3.49Å; V145-D147 HydrophobicContact CG2-CB 3.96Å; V145-D147 PolarHBondContact O-N 3.27Å; V145-M222 HydrophobicContact CG1-CE 4.38Å; V145-M222 HydrophobicContact CG1-SD 3.86Å; V145-V241 HydrophobicContact CG2-CG1 3.67Å; V145-G243 VanDerWaalsContact CG2-CA 3.5Å; V145-G243 WeakPolarHBondContact O-CA 2.96Å; V145-E244 PolarHBondContact O-N 3.21Å; V145-E244 VanDerWaalsContact O-N 3.12Å
146G94.2Very high94.8Very high2 Ų222.3 Ų22.32%0.02112%0.121CC..BIsolated β-bridgetrans-75.873.1172.300000110.8P108 V110 E244P108-G146 PolarHBondContact O-N 2.92Å; V110-G146 PolarHBondContact N-O 3.37Å; G146-E244 WeakPolarHBondContact CA-OE1 3.21Å
147D94.2Very high94.6Very high6 Ų621.1 Ų21.13%0.03211%0.109CC..  trans-99.88.7-176.972.2-13.7000113.3V110 V145 F152 W214 V218 E244 S245V110-D147 HydrophobicContact CG2-CB 3.64Å; V145-D147 HydrophobicContact CG2-CB 3.96Å; V145-D147 PolarHBondContact O-N 3.27Å; D147-F152 VanDerWaalsContact C-CZ 3.43Å; D147-F152 WeakPolarHBondContact O-CE2 3.19Å; D147-F152 WeakPolarHBondContact O-CZ 3.38Å; D147-W214 HydrophobicContact CB-CZ2 4.27Å; D147-W214 PolarHBondContact O-NE1 2.96Å; D147-V218 HydrophobicContact CB-CG2 4.11Å; D147-E244 PolarHBondContact OD1-N 2.82Å; D147-S245 VanDerWaalsContact CG-OG 3.31Å; D147-S245 WeakPolarHBondContact OD1-CB 3.47Å; D147-S245 PolarHBondContact OD1-N 3.17Å; D147-S245 PolarHBondContact OD1-OG 3.22Å; D147-S245 WeakPolarHBondContact OD2-CB 3.29Å; D147-S245 PolarHBondContact OD2-OG 3.11Å
148W91.6Very high94.4Very high43 Ų4320.7 Ų20.716%0.16311%0.106CC..  trans-133.5152.4177.4-158.8-112000112Q151 L203 Q204 W214 E244 N248W148-Q151 PolarHBondContact O-NE2 3.3Å; W148-Q151 VanDerWaalsContact O-NE2 3.13Å; W148-L203 HydrophobicContact CE3-CD2 4.45Å; W148-L203 HydrophobicContact CH2-CD1 4.11Å; W148-L203 HydrophobicContact CH2-CD2 4.16Å; W148-L203 HydrophobicContact CH2-CG 3.64Å; W148-L203 HydrophobicContact CZ2-CG 4.45Å; W148-L203 HydrophobicContact CZ3-CD1 4.02Å; W148-L203 HydrophobicContact CZ3-CD2 3.95Å; W148-L203 HydrophobicContact CZ3-CG 3.8Å; W148-Q204 HydrophobicContact CZ2-CG 3.84Å; W148-W214 HydrophobicContact CE3-CZ2 4.36Å; W148-W214 HydrophobicContact CZ3-CD2 4.47Å; W148-E244 HydrophobicContact CB-CB 3.94Å; W148-N248 WeakPolarHBondContact CZ2-ND2 3.41Å; W148-N248 PolarHBondContact NE1-ND2 3.23Å; W148-N248 PolarHBondContact NE1-OD1 3.1Å
149G86.8Confident94Very high18 Ų1816 Ų1619%0.1869%0.085CC..SBendtrans140.2173.3176.500000114.8Q151 F152G149-Q151 PolarHBondContact O-N 3.44Å; G149-F152 PolarHBondContact O-N 3.44Å
150T86.3Confident93.7Very high101 Ų10116 Ų1662%0.628%0.084SC*.THydrogen-bonded Turntrans-64.2-24.9-174.6590000113.7F152 G153 V200T150-F152 PolarHBondContact O-N 2.87Å; T150-G153 PolarHBondContact O-N 2.94Å; T150-V200 HydrophobicContact CG2-CG1 4.44Å; T150-V200 VanDerWaalsContact O-CG2 3.25Å; T150-V200 WeakPolarHBondContact O-CG2 3.43Å
151Q89Confident93.2Very high38 Ų3817 Ų1718%0.1789%0.088CC..Hα-helixtrans-59.7-26.5176.368.4-78.97.600113W148 G149 G153 M154 L155W148-Q151 PolarHBondContact O-NE2 3.3Å; W148-Q151 VanDerWaalsContact O-NE2 3.13Å; G149-Q151 PolarHBondContact O-N 3.44Å; Q151-G153 PolarHBondContact O-N 2.99Å; Q151-M154 HydrophobicContact CB-CE 4.03Å; Q151-M154 WeakPolarHBondContact O-CG 3.34Å; Q151-M154 PolarHBondContact O-N 3.43Å; Q151-L155 HydrophobicContact CG-CD1 4.44Å; Q151-L155 WeakPolarHBondContact O-CG 3.45Å; Q151-L155 PolarHBondContact O-N 2.85Å
152F92.6Very high92.6Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-67-25.4179.7-78.8-81.5000113.5V110 D147 G149 T150 M154 L155 I156 L203 W214 L217V110-F152 HydrophobicContact CB-CE1 4.35Å; V110-F152 HydrophobicContact CB-CZ 3.75Å; V110-F152 HydrophobicContact CG1-CE1 3.74Å; V110-F152 HydrophobicContact CG1-CZ 3.66Å; D147-F152 VanDerWaalsContact C-CZ 3.43Å; D147-F152 WeakPolarHBondContact O-CE2 3.19Å; D147-F152 WeakPolarHBondContact O-CZ 3.38Å; G149-F152 PolarHBondContact O-N 3.44Å; T150-F152 PolarHBondContact O-N 2.87Å; F152-M154 PolarHBondContact O-N 2.9Å; F152-L155 HydrophobicContact CD1-CD1 4.3Å; F152-L155 PolarHBondContact O-N 3.32Å; F152-I156 HydrophobicContact CB-CD1 4.44Å; F152-I156 WeakPolarHBondContact O-CB 3.31Å; F152-I156 WeakPolarHBondContact O-CD1 3.33Å; F152-I156 WeakPolarHBondContact O-CG1 3.48Å; F152-I156 PolarHBondContact O-N 3.25Å; F152-L203 HydrophobicContact CB-CD2 3.88Å; F152-W214 AromaticContact CD1-CD1 3.44Å; F152-W214 VanDerWaalsContact CD1-CD1 3.44Å; F152-W214 AromaticContact CE1-CD1 3.5Å; F152-W214 VanDerWaalsContact CE1-CD1 3.5Å; F152-W214 AromaticContact CE1-NE1 3.73Å; F152-W214 AromaticContact CG-CD1 3.91Å; F152-W214 AromaticContact CZ-NE1 3.84Å; F152-L217 HydrophobicContact CD1-CD1 4.31Å
153G92.9Very high91.9Very high0 Ų020.4 Ų20.40%011%0.105CC..Hα-helixtrans-59.9-48175.300000112.3T150 Q151 A157 A196T150-G153 PolarHBondContact O-N 2.94Å; Q151-G153 PolarHBondContact O-N 2.99Å; G153-A157 VanDerWaalsContact O-CB 3.31Å; G153-A157 WeakPolarHBondContact O-CB 3.3Å; G153-A157 PolarHBondContact O-N 3.27Å; G153-A196 VanDerWaalsContact CA-O 3.28Å; G153-A196 WeakPolarHBondContact CA-O 3.45Å
154M94.4Very high91.3Very high10 Ų1026.9 Ų26.95%0.04914%0.135CC..Hα-helixtrans-69.2-35.8177.463.5171.4-169.700112.1Q151 F152 A157 W158 Y179 K183 Y186 F192 A196Q151-M154 HydrophobicContact CB-CE 4.03Å; Q151-M154 WeakPolarHBondContact O-CG 3.34Å; Q151-M154 PolarHBondContact O-N 3.43Å; F152-M154 PolarHBondContact O-N 2.9Å; M154-A157 PolarHBondContact O-N 3.37Å; M154-W158 VanDerWaalsContact O-CB 3.3Å; M154-W158 WeakPolarHBondContact O-CB 3.4Å; M154-W158 PolarHBondContact O-N 3.46Å; M154-Y179 HydrophobicContact CE-CD2 3.94Å; M154-Y179 HydrophobicContact CE-CE1 4.36Å; M154-Y179 HydrophobicContact CE-CE2 3.3Å; M154-K183 HydrophobicContact CE-CB 4.35Å; M154-K183 HydrophobicContact CE-CD 4.39Å; M154-K183 HydrophobicContact SD-CB 4.21Å; M154-K183 HydrophobicContact SD-CD 4Å; M154-Y186 HydrophobicContact CB-CD2 3.86Å; M154-Y186 HydrophobicContact CB-CG 4.32Å; M154-Y186 HydrophobicContact SD-CG 4.42Å; M154-F192 HydrophobicContact CB-CE1 4.12Å; M154-A196 HydrophobicContact CB-CB 4.06Å
155L94.4Very high90.5Very high0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-68.6-41.7179.4-64.6169.6000111.7A111 Q151 F152 W158 L159 F178 Y179 A182 L217A111-L155 HydrophobicContact CB-CD1 3.43Å; A111-L155 VanDerWaalsContact CB-CD1 3.43Å; A111-L155 HydrophobicContact CB-CD2 4.09Å; A111-L155 HydrophobicContact CB-CG 4.39Å; Q151-L155 HydrophobicContact CG-CD1 4.44Å; Q151-L155 WeakPolarHBondContact O-CG 3.45Å; Q151-L155 PolarHBondContact O-N 2.85Å; F152-L155 HydrophobicContact CD1-CD1 4.3Å; F152-L155 PolarHBondContact O-N 3.32Å; L155-W158 PolarHBondContact O-N 2.89Å; L155-L159 WeakPolarHBondContact O-CB 3.3Å; L155-L159 PolarHBondContact O-N 3.33Å; L155-F178 HydrophobicContact CB-CE1 4.15Å; L155-F178 HydrophobicContact CD2-CD1 3.83Å; L155-F178 HydrophobicContact CD2-CE1 3.67Å; L155-F178 WeakPolarHBondContact O-CZ 3.36Å; L155-Y179 HydrophobicContact CD1-CD2 4.49Å; L155-Y179 HydrophobicContact CD2-CD2 3.91Å; L155-A182 HydrophobicContact CD2-CB 4.16Å; L155-L217 HydrophobicContact CB-CD1 3.71Å
156I94.5Very high89.5Confident0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-66.9-43.5175.3-65.8164.2000110.4F152 W158 L159 E160 Y199 L203 F210 M213 W214 L217F152-I156 HydrophobicContact CB-CD1 4.44Å; F152-I156 WeakPolarHBondContact O-CB 3.31Å; F152-I156 WeakPolarHBondContact O-CD1 3.33Å; F152-I156 WeakPolarHBondContact O-CG1 3.48Å; F152-I156 PolarHBondContact O-N 3.25Å; I156-W158 VanDerWaalsContact C-N 3.27Å; I156-W158 PolarHBondContact O-N 3.36Å; I156-L159 PolarHBondContact O-N 2.82Å; I156-E160 WeakPolarHBondContact O-CB 3.18Å; I156-E160 PolarHBondContact O-N 3.13Å; I156-Y199 HydrophobicContact CB-CD2 4.3Å; I156-Y199 HydrophobicContact CG2-CD2 3.88Å; I156-Y199 HydrophobicContact CG2-CE2 4.37Å; I156-L203 HydrophobicContact CD1-CD2 3.99Å; I156-F210 HydrophobicContact CG2-CD1 3.94Å; I156-F210 HydrophobicContact CG2-CE1 4.46Å; I156-M213 HydrophobicContact CG1-CB 4.18Å; I156-M213 HydrophobicContact CG2-CB 3.73Å; I156-M213 HydrophobicContact CG2-CG 4.25Å; I156-W214 HydrophobicContact CD1-CB 4.17Å; I156-L217 HydrophobicContact CG1-CD1 3.98Å
157A94.2Very high87.7Confident0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-62.1-36.3177.500000112.4G153 M154 K161 F192 A196 Y199G153-A157 VanDerWaalsContact O-CB 3.31Å; G153-A157 WeakPolarHBondContact O-CB 3.3Å; G153-A157 PolarHBondContact O-N 3.27Å; M154-A157 PolarHBondContact O-N 3.37Å; A157-K161 PolarHBondContact O-N 2.96Å; A157-F192 HydrophobicContact CB-CE1 4.45Å; A157-F192 HydrophobicContact CB-CE2 3.8Å; A157-F192 HydrophobicContact CB-CZ 3.75Å; A157-A196 HydrophobicContact CB-CB 4.38Å; A157-Y199 HydrophobicContact CB-CD2 3.71Å; A157-Y199 HydrophobicContact CB-CE2 3.88Å
158W93.5Very high85.8Confident16 Ų1642.6 Ų42.66%0.06124%0.244CC..Hα-helixtrans-72.3-43.7175.2-169.1-127.1000111.8M154 L155 I156 E160 K161 Q162 F178 D181 A182 H185 F192M154-W158 VanDerWaalsContact O-CB 3.3Å; M154-W158 WeakPolarHBondContact O-CB 3.4Å; M154-W158 PolarHBondContact O-N 3.46Å; L155-W158 PolarHBondContact O-N 2.89Å; I156-W158 VanDerWaalsContact C-N 3.27Å; I156-W158 PolarHBondContact O-N 3.36Å; W158-E160 VanDerWaalsContact C-N 3.34Å; W158-E160 PolarHBondContact O-N 2.78Å; W158-K161 HydrophobicContact CE3-CD 4.05Å; W158-K161 HydrophobicContact CZ3-CD 3.67Å; W158-K161 PolarHBondContact O-N 3.48Å; W158-Q162 HydrophobicContact CD2-CG 4.38Å; W158-Q162 HydrophobicContact CZ2-CG 4.29Å; W158-Q162 WeakPolarHBondContact O-CB 3.32Å; W158-Q162 WeakPolarHBondContact O-CG 3.37Å; W158-Q162 PolarHBondContact O-N 2.72Å; W158-F178 HydrophobicContact CB-CE2 4.32Å; W158-F178 HydrophobicContact CB-CZ 4.01Å; W158-F178 AromaticContact CD1-CD2 3.3Å; W158-F178 AromaticContact CD1-CE2 3.13Å; W158-F178 AromaticContact CD1-CG 3.89Å; W158-F178 AromaticContact CD1-CZ 3.53Å; W158-F178 HydrophobicContact CG-CD2 4.47Å; W158-F178 AromaticContact CG-CE2 3.97Å; W158-F178 HydrophobicContact CG-CE2 3.97Å; W158-F178 HydrophobicContact CG-CZ 4.12Å; W158-F178 AromaticContact NE1-CD2 3.64Å; W158-F178 AromaticContact NE1-CE2 3.81Å; W158-D181 HydrophobicContact CZ2-CB 3.87Å; W158-A182 HydrophobicContact CB-CB 3.58Å; W158-A182 HydrophobicContact CG-CB 3.71Å; W158-H185 AromaticContact CE3-ND1 3.89Å; W158-H185 AromaticContact CH2-CE1 3.06Å; W158-H185 WeakPolarHBondContact CH2-CE1 3.32Å; W158-H185 AromaticContact CH2-ND1 3.53Å; W158-H185 AromaticContact CH2-NE2 3.51Å; W158-H185 AromaticContact CZ2-CE1 3.93Å; W158-H185 HydrophobicContact CZ3-CB 4.47Å; W158-H185 AromaticContact CZ3-CD2 3.61Å; W158-H185 AromaticContact CZ3-CE1 3.19Å; W158-H185 WeakPolarHBondContact CZ3-CE1 3.48Å; W158-H185 AromaticContact CZ3-CG 3.57Å; W158-H185 AromaticContact CZ3-ND1 3.31Å; W158-H185 VanDerWaalsContact CZ3-ND1 3.31Å; W158-H185 WeakPolarHBondContact CZ3-ND1 3.44Å; W158-H185 AromaticContact CZ3-NE2 3.35Å; W158-H185 VanDerWaalsContact CZ3-NE2 3.35Å; W158-H185 WeakPolarHBondContact CZ3-NE2 3.29Å; W158-F192 HydrophobicContact CB-CE2 4.46Å; W158-F192 HydrophobicContact CB-CZ 4.02Å; W158-F192 HydrophobicContact CE3-CE2 4.02Å; W158-F192 HydrophobicContact CE3-CZ 4.3Å
159L90.7Very high84.1Confident2 Ų250.3 Ų50.31%0.0128%0.282CS..Hα-helixtrans-59.2-46177.4-17659.5000111.4L155 I156 Q162 Q163 L172 F178 M213 L217L155-L159 WeakPolarHBondContact O-CB 3.3Å; L155-L159 PolarHBondContact O-N 3.33Å; I156-L159 PolarHBondContact O-N 2.82Å; L159-Q162 PolarHBondContact O-N 3.12Å; L159-Q163 HydrophobicContact CD1-CG 4.49Å; L159-Q163 WeakPolarHBondContact O-CG 3.48Å; L159-Q163 PolarHBondContact O-N 3.13Å; L159-L172 HydrophobicContact CD1-CD1 3.62Å; L159-F178 HydrophobicContact CB-CE2 4.42Å; L159-F178 HydrophobicContact CB-CZ 3.84Å; L159-F178 HydrophobicContact CD1-CE2 4.41Å; L159-F178 HydrophobicContact CD1-CZ 4.39Å; L159-M213 HydrophobicContact CB-CE 3.9Å; L159-M213 HydrophobicContact CD2-CE 3.65Å; L159-M213 HydrophobicContact CD2-SD 4.14Å; L159-M213 HydrophobicContact CG-CE 3.56Å; L159-L217 HydrophobicContact CD2-CD1 4.49Å; L159-L217 HydrophobicContact CD2-CD2 3.97Å; L159-L217 HydrophobicContact CD2-CG 3.92Å
160E90.9Very high82.8Confident20 Ų2052.3 Ų52.39%0.09329%0.287CS..Hα-helixtrans-61.1-46.2178-175.7-173-12300111.3I156 W158 Q162 Q163 Q164 R195 Y199 Y209 M213I156-E160 WeakPolarHBondContact O-CB 3.18Å; I156-E160 PolarHBondContact O-N 3.13Å; W158-E160 VanDerWaalsContact C-N 3.34Å; W158-E160 PolarHBondContact O-N 2.78Å; E160-Q162 VanDerWaalsContact C-N 3.34Å; E160-Q162 PolarHBondContact O-N 3.28Å; E160-Q163 PolarHBondContact O-N 2.92Å; E160-Q164 VanDerWaalsContact O-CG 3.31Å; E160-Q164 WeakPolarHBondContact O-CG 3.21Å; E160-Q164 PolarHBondContact O-N 2.87Å; E160-R195 IonicContact OE2-NH1 2.67Å; E160-Y199 VanDerWaalsContact CD-OH 3.32Å; E160-Y199 PolarHBondContact OE1-OH 2.77Å; E160-Y199 WeakPolarHBondContact OE2-CE2 3.47Å; E160-Y199 PolarHBondContact OE2-OH 3.32Å; E160-Y209 PolarHBondContact OE1-OH 2.72Å; E160-M213 HydrophobicContact CB-CE 3.98Å
161K88.6Confident81.6Confident49 Ų4956.2 Ų56.221%0.21330%0.298CS..Hα-helixtrans-58.8-46.3176-177.8177172.5-1790111.4A157 W158 Q163 Q164 E165A157-K161 PolarHBondContact O-N 2.96Å; W158-K161 HydrophobicContact CE3-CD 4.05Å; W158-K161 HydrophobicContact CZ3-CD 3.67Å; W158-K161 PolarHBondContact O-N 3.48Å; K161-Q163 PolarHBondContact O-N 3.46Å; K161-Q164 PolarHBondContact O-N 3.31Å; K161-E165 WeakPolarHBondContact CE-OE1 3.43Å; K161-E165 WeakPolarHBondContact O-CG 3.38Å; K161-E165 PolarHBondContact O-N 3.35Å
162Q86Confident80.7Confident32 Ų3255.2 Ų55.215%0.1529%0.294CS..Hα-helixtrans-63.8-36.8179.5-75.9-55.6-44.800113.3W158 L159 E160 E165 N166 M170W158-Q162 HydrophobicContact CD2-CG 4.38Å; W158-Q162 HydrophobicContact CZ2-CG 4.29Å; W158-Q162 WeakPolarHBondContact O-CB 3.32Å; W158-Q162 WeakPolarHBondContact O-CG 3.37Å; W158-Q162 PolarHBondContact O-N 2.72Å; L159-Q162 PolarHBondContact O-N 3.12Å; E160-Q162 VanDerWaalsContact C-N 3.34Å; E160-Q162 PolarHBondContact O-N 3.28Å; Q162-E165 PolarHBondContact O-N 3.2Å; Q162-N166 WeakPolarHBondContact O-CB 3.4Å; Q162-N166 PolarHBondContact O-N 3.45Å; Q162-N166 PolarHBondContact O-ND2 2.81Å; Q162-N166 VanDerWaalsContact O-ND2 3.12Å; Q162-N166 PolarHBondContact OE1-ND2 3.13Å; Q162-M170 HydrophobicContact CB-CE 3.63Å; Q162-M170 HydrophobicContact CB-SD 3.76Å; Q162-M170 HydrophobicContact CG-CE 4.23Å; Q162-M170 HydrophobicContact CG-SD 4.24Å
163Q84.7Confident79.5Confident71 Ų7158.8 Ų58.833%0.33232%0.324SS..Hα-helixtrans-71.5-30.4174.5-74.5177.6-5.100113L159 E160 K161 N166L159-Q163 HydrophobicContact CD1-CG 4.49Å; L159-Q163 WeakPolarHBondContact O-CG 3.48Å; L159-Q163 PolarHBondContact O-N 3.13Å; E160-Q163 PolarHBondContact O-N 2.92Å; K161-Q163 PolarHBondContact O-N 3.46Å; Q163-N166 VanDerWaalsContact O-O 3.06Å
164Q84.1Confident78.8Confident136 Ų13662.4 Ų62.464%0.63634%0.343SS*.Hα-helixtrans-72.2-34.8173.7-71.81721.300111.8E160 K161E160-Q164 VanDerWaalsContact O-CG 3.31Å; E160-Q164 WeakPolarHBondContact O-CG 3.21Å; E160-Q164 PolarHBondContact O-N 2.87Å; K161-Q164 PolarHBondContact O-N 3.31Å
165E81.9Confident78.2Confident115 Ų11561.9 Ų61.954%0.53734%0.34SS..Hα-helixtrans-80.6-29.5179.6-70.5173.2-179.800112.9K161 Q162K161-E165 WeakPolarHBondContact CE-OE1 3.43Å; K161-E165 WeakPolarHBondContact O-CG 3.38Å; K161-E165 PolarHBondContact O-N 3.35Å; Q162-E165 PolarHBondContact O-N 3.2Å
166N74.2Confident77.5Confident74 Ų7465.5 Ų65.540%0.39636%0.357SS..  trans-120111.7-178.5-59.4-69.2000111.1Q162 Q163 G168 M170Q162-N166 WeakPolarHBondContact O-CB 3.4Å; Q162-N166 PolarHBondContact O-N 3.45Å; Q162-N166 PolarHBondContact O-ND2 2.81Å; Q162-N166 VanDerWaalsContact O-ND2 3.12Å; Q162-N166 PolarHBondContact OE1-ND2 3.13Å; Q163-N166 VanDerWaalsContact O-O 3.06Å; N166-G168 PolarHBondContact O-N 3.34Å; N166-M170 HydrophobicContact CB-CE 4.12Å; N166-M170 WeakPolarHBondContact ND2-CE 3.1Å
167A55.8Low77Confident122 Ų12265.6 Ų65.6100%1.00836%0.359SS*.SBendtrans-71.116.4-175.200000115.7
168G55.8Low76.8Confident48 Ų4866.2 Ų66.250%0.49536%0.361SS..SBendtrans-126.5162.9-177.800000112.9N166 M170N166-G168 PolarHBondContact O-N 3.34Å; G168-M170 PolarHBondContact O-N 3.34Å
169E55Low76.6Confident205 Ų20568.2 Ų68.296%0.95837%0.369SS*.  trans-57.8111.2168.1-76.1-175.7160.700108.8E171E169-E171 PolarHBondContact O-N 3.32Å
170M59.5Low76.5Confident59 Ų5974.9 Ų74.929%0.29139%0.394SS..  trans-75.9116180179.8169.4-7400109.6Q162 N166 G168 L172Q162-M170 HydrophobicContact CB-CE 3.63Å; Q162-M170 HydrophobicContact CB-SD 3.76Å; Q162-M170 HydrophobicContact CG-CE 4.23Å; Q162-M170 HydrophobicContact CG-SD 4.24Å; N166-M170 HydrophobicContact CB-CE 4.12Å; N166-M170 WeakPolarHBondContact ND2-CE 3.1Å; G168-M170 PolarHBondContact O-N 3.34Å; M170-L172 HydrophobicContact CG-CG 4.43Å; M170-L172 PolarHBondContact O-N 3.44Å; M170-L172 VanDerWaalsContact O-N 3.12Å
171E61.6Low76.5Confident183 Ų18376.9 Ų76.986%0.85541%0.406SS*.  trans-71.999.6163.7-76.3-171165.800109.1E169 A173E169-E171 PolarHBondContact O-N 3.32Å; E171-A173 PolarHBondContact O-N 3.27Å
172L68.7Low76.7Confident18 Ų1874.6 Ų74.69%0.09440%0.396CS..  trans-73.272.4169.4-90.5132000110.2L159 M170 L175 F178 I220L159-L172 HydrophobicContact CD1-CD1 3.62Å; M170-L172 HydrophobicContact CG-CG 4.43Å; M170-L172 PolarHBondContact O-N 3.44Å; M170-L172 VanDerWaalsContact O-N 3.12Å; L172-L175 HydrophobicContact CB-CD2 4.48Å; L172-L175 HydrophobicContact CD2-CD2 4.3Å; L172-F178 HydrophobicContact CD2-CB 3.65Å; L172-F178 HydrophobicContact CD2-CD1 3.85Å; L172-F178 HydrophobicContact CD2-CD2 3.23Å; L172-F178 HydrophobicContact CD2-CE1 4.3Å; L172-F178 HydrophobicContact CD2-CE2 3.72Å; L172-F178 HydrophobicContact CD2-CG 3.28Å; L172-F178 HydrophobicContact CD2-CZ 4.24Å; L172-F178 HydrophobicContact CG-CD2 4.4Å; L172-I220 HydrophobicContact CB-CD1 4.08Å; L172-I220 HydrophobicContact CB-CG2 3.79Å; L172-I220 HydrophobicContact CD1-CD1 3.56Å; L172-I220 HydrophobicContact CG-CD1 4.43Å
173A67.9Low77Confident75 Ų7576.4 Ų76.462%0.6240%0.403SS*.  trans-74-31.6178.700000112.9E171E171-A173 PolarHBondContact O-N 3.27Å
174D78.7Confident77.4Confident75 Ų7578.1 Ų78.140%0.40141%0.409SS..  trans-112.784.9-179.9-177.312.2000110.9E176 G177 F178D174-E176 VanDerWaalsContact C-N 3.27Å; D174-E176 PolarHBondContact O-N 3.41Å; D174-E176 PolarHBondContact OD1-N 2.76Å; D174-G177 VanDerWaalsContact CG-N 3.28Å; D174-G177 PolarHBondContact O-N 3.3Å; D174-G177 PolarHBondContact OD1-N 2.88Å; D174-G177 WeakPolarHBondContact OD2-CA 3.28Å; D174-G177 PolarHBondContact OD2-N 3.3Å; D174-F178 WeakPolarHBondContact O-CB 3.35Å; D174-F178 PolarHBondContact O-N 3.4Å
175L80.7Confident77.9Confident0 Ų074 Ų740%039%0.39CS..Hα-helixtrans-62.6-33.9177.2-72.5177.4000112.6L172 F178 Y179 I220 T221L172-L175 HydrophobicContact CB-CD2 4.48Å; L172-L175 HydrophobicContact CD2-CD2 4.3Å; L175-F178 PolarHBondContact O-N 2.91Å; L175-Y179 WeakPolarHBondContact O-CB 3.41Å; L175-Y179 PolarHBondContact O-N 3.25Å; L175-I220 HydrophobicContact CD2-CG2 3.93Å; L175-T221 HydrophobicContact CD1-CG2 3.96Å; L175-T221 WeakPolarHBondContact CD1-OG1 3.43Å
176E80.3Confident78.5Confident75 Ų7571.7 Ų71.735%0.3538%0.377SS..Hα-helixtrans-70.8-42.5179.2-170.5177.1-169.300111E113 D174 Y179 R180 K375E113-E176 HydrophobicContact CG-CB 4.31Å; D174-E176 VanDerWaalsContact C-N 3.27Å; D174-E176 PolarHBondContact O-N 3.41Å; D174-E176 PolarHBondContact OD1-N 2.76Å; E176-Y179 PolarHBondContact O-N 3.4Å; E176-R180 VanDerWaalsContact O-CB 3.3Å; E176-R180 WeakPolarHBondContact O-CB 3.34Å; E176-R180 PolarHBondContact O-N 2.85Å; E176-K375 WeakPolarHBondContact OE2-CE 3.37Å; E176-K375 IonicContact OE2-NZ 2.84Å; E176-K375 PolarHBondContact OE2-NZ 3.21Å
177G85.2Confident79.4Confident3 Ų372.9 Ų72.93%0.03138%0.383CS..Hα-helixtrans-57.9-48.3170.400000111.8D174 Y179 R180 D181D174-G177 VanDerWaalsContact CG-N 3.28Å; D174-G177 PolarHBondContact O-N 3.3Å; D174-G177 PolarHBondContact OD1-N 2.88Å; D174-G177 WeakPolarHBondContact OD2-CA 3.28Å; D174-G177 PolarHBondContact OD2-N 3.3Å; G177-Y179 PolarHBondContact O-N 3.22Å; G177-R180 PolarHBondContact O-N 3.41Å; G177-D181 WeakPolarHBondContact O-CB 3.37Å; G177-D181 PolarHBondContact O-N 3.38Å
178F88.7Confident81.3Confident13 Ų1374 Ų746%0.05737%0.368CS..Hα-helixtrans-58.6-46.2176.9-178.7-95.3000112.8L155 W158 L159 L172 D174 L175 D181 A182 L217L155-F178 HydrophobicContact CB-CE1 4.15Å; L155-F178 HydrophobicContact CD2-CD1 3.83Å; L155-F178 HydrophobicContact CD2-CE1 3.67Å; L155-F178 WeakPolarHBondContact O-CZ 3.36Å; W158-F178 HydrophobicContact CB-CE2 4.32Å; W158-F178 HydrophobicContact CB-CZ 4.01Å; W158-F178 AromaticContact CD1-CD2 3.3Å; W158-F178 AromaticContact CD1-CE2 3.13Å; W158-F178 AromaticContact CD1-CG 3.89Å; W158-F178 AromaticContact CD1-CZ 3.53Å; W158-F178 HydrophobicContact CG-CD2 4.47Å; W158-F178 AromaticContact CG-CE2 3.97Å; W158-F178 HydrophobicContact CG-CE2 3.97Å; W158-F178 HydrophobicContact CG-CZ 4.12Å; W158-F178 AromaticContact NE1-CD2 3.64Å; W158-F178 AromaticContact NE1-CE2 3.81Å; L159-F178 HydrophobicContact CB-CE2 4.42Å; L159-F178 HydrophobicContact CB-CZ 3.84Å; L159-F178 HydrophobicContact CD1-CE2 4.41Å; L159-F178 HydrophobicContact CD1-CZ 4.39Å; L172-F178 HydrophobicContact CD2-CB 3.65Å; L172-F178 HydrophobicContact CD2-CD1 3.85Å; L172-F178 HydrophobicContact CD2-CD2 3.23Å; L172-F178 HydrophobicContact CD2-CE1 4.3Å; L172-F178 HydrophobicContact CD2-CE2 3.72Å; L172-F178 HydrophobicContact CD2-CG 3.28Å; L172-F178 HydrophobicContact CD2-CZ 4.24Å; L172-F178 HydrophobicContact CG-CD2 4.4Å; D174-F178 WeakPolarHBondContact O-CB 3.35Å; D174-F178 PolarHBondContact O-N 3.4Å; L175-F178 PolarHBondContact O-N 2.91Å; F178-D181 PolarHBondContact O-N 3.45Å; F178-A182 WeakPolarHBondContact O-CB 3.09Å; F178-A182 PolarHBondContact O-N 2.9Å; F178-L217 HydrophobicContact CE1-CD2 3.8Å; F178-L217 HydrophobicContact CZ-CD2 4.14Å
179Y88.9Confident83.1Confident58 Ų5874.7 Ų74.723%0.22736%0.36CS..Hα-helixtrans-62.5-45.9176.7179.5-85.3000111.8A111 M154 L155 L175 E176 G177 D181 A182 K183A111-Y179 WeakPolarHBondContact O-CB 3.44Å; M154-Y179 HydrophobicContact CE-CD2 3.94Å; M154-Y179 HydrophobicContact CE-CE1 4.36Å; M154-Y179 HydrophobicContact CE-CE2 3.3Å; L155-Y179 HydrophobicContact CD1-CD2 4.49Å; L155-Y179 HydrophobicContact CD2-CD2 3.91Å; L175-Y179 WeakPolarHBondContact O-CB 3.41Å; L175-Y179 PolarHBondContact O-N 3.25Å; E176-Y179 PolarHBondContact O-N 3.4Å; G177-Y179 PolarHBondContact O-N 3.22Å; Y179-D181 VanDerWaalsContact C-N 3.33Å; Y179-D181 PolarHBondContact O-N 3.19Å; Y179-A182 PolarHBondContact O-N 2.79Å; Y179-K183 HydrophobicContact CE1-CB 4.38Å; Y179-K183 VanDerWaalsContact O-CB 3.24Å; Y179-K183 WeakPolarHBondContact O-CB 3.24Å; Y179-K183 PolarHBondContact O-N 3.16Å
180R88.8Confident85Confident141 Ų14172.7 Ų72.753%0.53235%0.35SS..Hα-helixtrans-61.8-42.4179.9-179-176.362.2-126.2-5.6111.3E176 G177 K183 K184E176-R180 VanDerWaalsContact O-CB 3.3Å; E176-R180 WeakPolarHBondContact O-CB 3.34Å; E176-R180 PolarHBondContact O-N 2.85Å; G177-R180 PolarHBondContact O-N 3.41Å; R180-K183 PolarHBondContact O-N 3.08Å; R180-K184 WeakPolarHBondContact O-CB 3.44Å; R180-K184 PolarHBondContact O-N 2.84Å
181D91.2Very high86.7Confident63 Ų6377.5 Ų77.534%0.33737%0.372SS..Hα-helixtrans-70.2-42.6-179.8-66.6-11.3000111W158 G177 F178 Y179 K183 K184 H185W158-D181 HydrophobicContact CZ2-CB 3.87Å; G177-D181 WeakPolarHBondContact O-CB 3.37Å; G177-D181 PolarHBondContact O-N 3.38Å; F178-D181 PolarHBondContact O-N 3.45Å; Y179-D181 VanDerWaalsContact C-N 3.33Å; Y179-D181 PolarHBondContact O-N 3.19Å; D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 3.18Å; D181-K184 PolarHBondContact O-N 3.33Å; D181-H185 PolarHBondContact O-N 3.48Å; D181-H185 PolarHBondContact O-ND1 3.47Å
182A92.9Very high88.3Confident0 Ų069 Ų690%033%0.332CS..Hα-helixtrans-58.6-43.6172.100000111.7L155 W158 F178 Y179 H185 Y186L155-A182 HydrophobicContact CD2-CB 4.16Å; W158-A182 HydrophobicContact CB-CB 3.58Å; W158-A182 HydrophobicContact CG-CB 3.71Å; F178-A182 WeakPolarHBondContact O-CB 3.09Å; F178-A182 PolarHBondContact O-N 2.9Å; Y179-A182 PolarHBondContact O-N 2.79Å; A182-H185 PolarHBondContact O-N 3.49Å; A182-Y186 WeakPolarHBondContact O-CB 3.49Å; A182-Y186 PolarHBondContact O-N 3.32Å
183K92.7Very high89.5Confident70 Ų7068.3 Ų68.330%0.30433%0.33SS..Hα-helixtrans-66.3-42.3179.2-178.654.1175.8151.80111.9M154 Y179 R180 D181 H185 Y186 D187M154-K183 HydrophobicContact CE-CB 4.35Å; M154-K183 HydrophobicContact CE-CD 4.39Å; M154-K183 HydrophobicContact SD-CB 4.21Å; M154-K183 HydrophobicContact SD-CD 4Å; Y179-K183 HydrophobicContact CE1-CB 4.38Å; Y179-K183 VanDerWaalsContact O-CB 3.24Å; Y179-K183 WeakPolarHBondContact O-CB 3.24Å; Y179-K183 PolarHBondContact O-N 3.16Å; R180-K183 PolarHBondContact O-N 3.08Å; D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 3.18Å; K183-H185 PolarHBondContact O-N 3.44Å; K183-Y186 WeakPolarHBondContact O-CB 3.33Å; K183-Y186 PolarHBondContact O-N 2.92Å; K183-D187 WeakPolarHBondContact CE-OD2 3.42Å; K183-D187 VanDerWaalsContact NZ-CG 3.3Å; K183-D187 IonicContact NZ-OD1 2.79Å; K183-D187 PolarHBondContact NZ-OD1 2.84Å; K183-D187 IonicContact NZ-OD2 3.19Å; K183-D187 PolarHBondContact NZ-OD2 3.45Å; K183-D187 VanDerWaalsContact NZ-OD2 3.13Å; K183-D187 PolarHBondContact O-N 3.1Å
184K93.9Very high90.7Very high107 Ų10770 Ų7047%0.46533%0.325SS..Hα-helixtrans-58.3-48.1175-177.3-178.2174.6-174.80111.4R180 D181 Y186 D187 E188R180-K184 WeakPolarHBondContact O-CB 3.44Å; R180-K184 PolarHBondContact O-N 2.84Å; D181-K184 PolarHBondContact O-N 3.33Å; K184-Y186 VanDerWaalsContact C-N 3.32Å; K184-Y186 PolarHBondContact O-N 3.03Å; K184-D187 PolarHBondContact O-N 3.38Å; K184-E188 VanDerWaalsContact CE-CD 3.47Å; K184-E188 VanDerWaalsContact CE-OE1 3.28Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 WeakPolarHBondContact CE-OE2 3.47Å; K184-E188 HydrophobicContact CG-CG 4.4Å; K184-E188 WeakPolarHBondContact O-CB 2.96Å; K184-E188 WeakPolarHBondContact O-CG 3.1Å; K184-E188 PolarHBondContact O-N 3.41Å
185H93.5Very high91.5Very high49 Ų4969.8 Ų69.823%0.22732%0.318CS..Hα-helixtrans-63.5-39.1176.3-72.281000111.8W158 D181 A182 K183 D187 E188 D189 F192W158-H185 AromaticContact CE3-ND1 3.89Å; W158-H185 AromaticContact CH2-CE1 3.06Å; W158-H185 WeakPolarHBondContact CH2-CE1 3.32Å; W158-H185 AromaticContact CH2-ND1 3.53Å; W158-H185 AromaticContact CH2-NE2 3.51Å; W158-H185 AromaticContact CZ2-CE1 3.93Å; W158-H185 HydrophobicContact CZ3-CB 4.47Å; W158-H185 AromaticContact CZ3-CD2 3.61Å; W158-H185 AromaticContact CZ3-CE1 3.19Å; W158-H185 WeakPolarHBondContact CZ3-CE1 3.48Å; W158-H185 AromaticContact CZ3-CG 3.57Å; W158-H185 AromaticContact CZ3-ND1 3.31Å; W158-H185 VanDerWaalsContact CZ3-ND1 3.31Å; W158-H185 WeakPolarHBondContact CZ3-ND1 3.44Å; W158-H185 AromaticContact CZ3-NE2 3.35Å; W158-H185 VanDerWaalsContact CZ3-NE2 3.35Å; W158-H185 WeakPolarHBondContact CZ3-NE2 3.29Å; D181-H185 PolarHBondContact O-N 3.48Å; D181-H185 PolarHBondContact O-ND1 3.47Å; A182-H185 PolarHBondContact O-N 3.49Å; K183-H185 PolarHBondContact O-N 3.44Å; H185-D187 VanDerWaalsContact C-N 3.27Å; H185-D187 PolarHBondContact O-N 3.03Å; H185-E188 PolarHBondContact O-N 3.33Å; H185-D189 WeakPolarHBondContact O-CA 3.33Å; H185-D189 VanDerWaalsContact O-CB 3.3Å; H185-D189 WeakPolarHBondContact O-CB 3.23Å; H185-D189 PolarHBondContact O-N 3.12Å; H185-F192 HydrophobicContact CB-CD1 3.84Å; H185-F192 HydrophobicContact CB-CD2 4.24Å; H185-F192 HydrophobicContact CB-CE1 3.96Å; H185-F192 HydrophobicContact CB-CE2 4.37Å; H185-F192 HydrophobicContact CB-CG 3.99Å; H185-F192 HydrophobicContact CB-CZ 4.24Å
186Y94Very high92.1Very high67 Ų6769.9 Ų69.926%0.26332%0.319SS..Hα-helixtrans-61.1-34.7174.7-171.8-87.2000113.6M154 A182 K183 K184 A193 A196M154-Y186 HydrophobicContact CB-CD2 3.86Å; M154-Y186 HydrophobicContact CB-CG 4.32Å; M154-Y186 HydrophobicContact SD-CG 4.42Å; A182-Y186 WeakPolarHBondContact O-CB 3.49Å; A182-Y186 PolarHBondContact O-N 3.32Å; K183-Y186 WeakPolarHBondContact O-CB 3.33Å; K183-Y186 PolarHBondContact O-N 2.92Å; K184-Y186 VanDerWaalsContact C-N 3.32Å; K184-Y186 PolarHBondContact O-N 3.03Å; Y186-A193 HydrophobicContact CD2-CB 4.13Å; Y186-A193 HydrophobicContact CE2-CB 4.09Å; Y186-A193 HydrophobicContact CG-CB 4.47Å; Y186-A193 WeakPolarHBondContact O-CB 3.19Å; Y186-A196 HydrophobicContact CD2-CB 3.62Å; Y186-A196 HydrophobicContact CE2-CB 3.68Å
187D94Very high92.7Very high100 Ų10071.9 Ų71.954%0.53532%0.323SS..Hα-helixtrans-86.1-29.4-178.1-67.9-23.6000113K183 K184 H185K183-D187 WeakPolarHBondContact CE-OD2 3.42Å; K183-D187 VanDerWaalsContact NZ-CG 3.3Å; K183-D187 IonicContact NZ-OD1 2.79Å; K183-D187 PolarHBondContact NZ-OD1 2.84Å; K183-D187 IonicContact NZ-OD2 3.19Å; K183-D187 PolarHBondContact NZ-OD2 3.45Å; K183-D187 VanDerWaalsContact NZ-OD2 3.13Å; K183-D187 PolarHBondContact O-N 3.1Å; K184-D187 PolarHBondContact O-N 3.38Å; H185-D187 VanDerWaalsContact C-N 3.27Å; H185-D187 PolarHBondContact O-N 3.03Å
188E95.5Very high93Very high146 Ų14675.9 Ų75.968%0.68234%0.344SS*.Hα-helixtrans-102.4-20.8-174.1-65.3177.4-176.300114.4K184 H185K184-E188 VanDerWaalsContact CE-CD 3.47Å; K184-E188 VanDerWaalsContact CE-OE1 3.28Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 WeakPolarHBondContact CE-OE2 3.47Å; K184-E188 HydrophobicContact CG-CG 4.4Å; K184-E188 WeakPolarHBondContact O-CB 2.96Å; K184-E188 WeakPolarHBondContact O-CG 3.1Å; K184-E188 PolarHBondContact O-N 3.41Å; H185-E188 PolarHBondContact O-N 3.33Å
189D94.6Very high93.3Very high61 Ų6176.6 Ų76.633%0.32635%0.347SS..  trans-119.6108.8-176.2178.2-11.5000110.9H185 E191 F192 A193H185-D189 WeakPolarHBondContact O-CA 3.33Å; H185-D189 VanDerWaalsContact O-CB 3.3Å; H185-D189 WeakPolarHBondContact O-CB 3.23Å; H185-D189 PolarHBondContact O-N 3.12Å; D189-E191 PolarHBondContact O-N 3.4Å; D189-E191 WeakPolarHBondContact OD1-CB 3.29Å; D189-E191 PolarHBondContact OD1-N 3.49Å; D189-F192 HydrophobicContact CB-CB 3.81Å; D189-F192 VanDerWaalsContact CG-CB 3.49Å; D189-F192 PolarHBondContact O-N 2.97Å; D189-F192 PolarHBondContact OD1-N 3.35Å; D189-A193 WeakPolarHBondContact O-CB 3.5Å; D189-A193 PolarHBondContact O-N 3.41Å
190E94.5Very high93.4Very high163 Ų16374.6 Ų74.676%0.76234%0.34SS*.Hα-helixtrans-65.2-35.8-177-171.3170.9-165.200112.8A193 E194E190-A193 PolarHBondContact O-N 3.02Å; E190-E194 PolarHBondContact O-N 2.86Å
191E94.9Very high93.4Very high160 Ų16072.2 Ų72.275%0.74834%0.341SS*.Hα-helixtrans-68.6-43.1177.4-173.1-178.7171.700110.1D189 A193 E194 R195D189-E191 PolarHBondContact O-N 3.4Å; D189-E191 WeakPolarHBondContact OD1-CB 3.29Å; D189-E191 PolarHBondContact OD1-N 3.49Å; E191-A193 VanDerWaalsContact C-N 3.34Å; E191-A193 PolarHBondContact O-N 3.47Å; E191-E194 PolarHBondContact O-N 2.86Å; E191-R195 WeakPolarHBondContact O-CB 2.95Å; E191-R195 PolarHBondContact O-N 3.4Å
192F94.9Very high93.5Very high4 Ų473.9 Ų73.92%0.01835%0.346CS..Hα-helixtrans-61.9-42.4173.5-175.2-86.1000111.7M154 A157 W158 H185 D189 R195 A196M154-F192 HydrophobicContact CB-CE1 4.12Å; A157-F192 HydrophobicContact CB-CE1 4.45Å; A157-F192 HydrophobicContact CB-CE2 3.8Å; A157-F192 HydrophobicContact CB-CZ 3.75Å; W158-F192 HydrophobicContact CB-CE2 4.46Å; W158-F192 HydrophobicContact CB-CZ 4.02Å; W158-F192 HydrophobicContact CE3-CE2 4.02Å; W158-F192 HydrophobicContact CE3-CZ 4.3Å; H185-F192 HydrophobicContact CB-CD1 3.84Å; H185-F192 HydrophobicContact CB-CD2 4.24Å; H185-F192 HydrophobicContact CB-CE1 3.96Å; H185-F192 HydrophobicContact CB-CE2 4.37Å; H185-F192 HydrophobicContact CB-CG 3.99Å; H185-F192 HydrophobicContact CB-CZ 4.24Å; D189-F192 HydrophobicContact CB-CB 3.81Å; D189-F192 VanDerWaalsContact CG-CB 3.49Å; D189-F192 PolarHBondContact O-N 2.97Å; D189-F192 PolarHBondContact OD1-N 3.35Å; F192-R195 PolarHBondContact O-N 3.48Å; F192-A196 VanDerWaalsContact O-CB 3.29Å; F192-A196 WeakPolarHBondContact O-CB 3.39Å; F192-A196 PolarHBondContact O-N 3.04Å
193A94Very high93.4Very high5 Ų574 Ų744%0.04135%0.346CS..Hα-helixtrans-64.3-40.917900000112.5Y186 D189 E190 E191 R197Y186-A193 HydrophobicContact CD2-CB 4.13Å; Y186-A193 HydrophobicContact CE2-CB 4.09Å; Y186-A193 HydrophobicContact CG-CB 4.47Å; Y186-A193 WeakPolarHBondContact O-CB 3.19Å; D189-A193 WeakPolarHBondContact O-CB 3.5Å; D189-A193 PolarHBondContact O-N 3.41Å; E190-A193 PolarHBondContact O-N 3.02Å; E191-A193 VanDerWaalsContact C-N 3.34Å; E191-A193 PolarHBondContact O-N 3.47Å; A193-R197 WeakPolarHBondContact O-CG 3.44Å; A193-R197 PolarHBondContact O-N 2.94Å
194E94Very high93.1Very high111 Ų11175.7 Ų75.752%0.51936%0.355SS..Hα-helixtrans-64.6-46.5174.7-172.8175.3-177.700111.5E190 E191 A196 R197 N198E190-E194 PolarHBondContact O-N 2.86Å; E191-E194 PolarHBondContact O-N 2.86Å; E194-A196 VanDerWaalsContact C-N 3.34Å; E194-A196 PolarHBondContact O-N 3.11Å; E194-R197 PolarHBondContact O-N 2.95Å; E194-N198 PolarHBondContact O-N 3.47Å; E194-N198 PolarHBondContact O-ND2 3.32Å
195R93.8Very high92.8Very high70 Ų7074.6 Ų74.626%0.26436%0.361SS..Hα-helixtrans-58.3-46.2175.3-173170.765.61653.2111.7E160 E191 F192 R197 N198 Y199E160-R195 IonicContact OE2-NH1 2.67Å; E191-R195 WeakPolarHBondContact O-CB 2.95Å; E191-R195 PolarHBondContact O-N 3.4Å; F192-R195 PolarHBondContact O-N 3.48Å; R195-R197 PolarHBondContact O-N 3.44Å; R195-N198 WeakPolarHBondContact O-CB 3.47Å; R195-N198 PolarHBondContact O-N 2.7Å; R195-N198 VanDerWaalsContact O-N 3.17Å; R195-Y199 HydrophobicContact CG-CD1 4.09Å; R195-Y199 HydrophobicContact CG-CE1 3.53Å; R195-Y199 HydrophobicContact CG-CE2 4.07Å; R195-Y199 WeakPolarHBondContact O-CD1 3.47Å; R195-Y199 PolarHBondContact O-N 2.77Å
196A94.3Very high92.5Very high1 Ų173 Ų731%0.00836%0.357CS..Hα-helixtrans-59.1-42.9176.700000112.3G153 M154 A157 Y186 F192 E194 Y199 V200G153-A196 VanDerWaalsContact CA-O 3.28Å; G153-A196 WeakPolarHBondContact CA-O 3.45Å; M154-A196 HydrophobicContact CB-CB 4.06Å; A157-A196 HydrophobicContact CB-CB 4.38Å; Y186-A196 HydrophobicContact CD2-CB 3.62Å; Y186-A196 HydrophobicContact CE2-CB 3.68Å; F192-A196 VanDerWaalsContact O-CB 3.29Å; F192-A196 WeakPolarHBondContact O-CB 3.39Å; F192-A196 PolarHBondContact O-N 3.04Å; E194-A196 VanDerWaalsContact C-N 3.34Å; E194-A196 PolarHBondContact O-N 3.11Å; A196-Y199 PolarHBondContact O-N 3.24Å; A196-V200 WeakPolarHBondContact O-CG2 3.37Å; A196-V200 PolarHBondContact O-N 3.49Å; A196-V200 VanDerWaalsContact O-N 3.17Å
197R91.9Very high92.6Very high117 Ų11772.2 Ų72.244%0.44236%0.358SS..Hα-helixtrans-61.5-44174.3-74.3-176.8-69.8-95.12.9111.8A193 E194 R195 Y199 V200 V201A193-R197 WeakPolarHBondContact O-CG 3.44Å; A193-R197 PolarHBondContact O-N 2.94Å; E194-R197 PolarHBondContact O-N 2.95Å; R195-R197 PolarHBondContact O-N 3.44Å; R197-Y199 VanDerWaalsContact C-N 3.27Å; R197-Y199 PolarHBondContact O-N 3.47Å; R197-V200 WeakPolarHBondContact O-CB 3.31Å; R197-V200 PolarHBondContact O-N 3.26Å; R197-V201 PolarHBondContact O-N 2.87Å
198N93.3Very high92.6Very high87 Ų8772.6 Ų72.647%0.46536%0.356SS..Hα-helixtrans-62.3-35.2176.1-71.6-28.6000112E194 R195 V201 K202E194-N198 PolarHBondContact O-N 3.47Å; E194-N198 PolarHBondContact O-ND2 3.32Å; R195-N198 WeakPolarHBondContact O-CB 3.47Å; R195-N198 PolarHBondContact O-N 2.7Å; R195-N198 VanDerWaalsContact O-N 3.17Å; N198-V201 WeakPolarHBondContact O-CB 3.06Å; N198-V201 PolarHBondContact O-N 3.19Å; N198-K202 WeakPolarHBondContact O-CG 3.47Å; N198-K202 PolarHBondContact O-N 3.04Å
199Y94.7Very high92.6Very high29 Ų2970.1 Ų70.111%0.11434%0.341CS..Hα-helixtrans-69.5-33.4179.2-73.611.8000112.1I156 A157 E160 R195 A196 R197 V201 K202 L203 F210I156-Y199 HydrophobicContact CB-CD2 4.3Å; I156-Y199 HydrophobicContact CG2-CD2 3.88Å; I156-Y199 HydrophobicContact CG2-CE2 4.37Å; A157-Y199 HydrophobicContact CB-CD2 3.71Å; A157-Y199 HydrophobicContact CB-CE2 3.88Å; E160-Y199 VanDerWaalsContact CD-OH 3.32Å; E160-Y199 PolarHBondContact OE1-OH 2.77Å; E160-Y199 WeakPolarHBondContact OE2-CE2 3.47Å; E160-Y199 PolarHBondContact OE2-OH 3.32Å; R195-Y199 HydrophobicContact CG-CD1 4.09Å; R195-Y199 HydrophobicContact CG-CE1 3.53Å; R195-Y199 HydrophobicContact CG-CE2 4.07Å; R195-Y199 WeakPolarHBondContact O-CD1 3.47Å; R195-Y199 PolarHBondContact O-N 2.77Å; A196-Y199 PolarHBondContact O-N 3.24Å; R197-Y199 VanDerWaalsContact C-N 3.27Å; R197-Y199 PolarHBondContact O-N 3.47Å; Y199-V201 VanDerWaalsContact C-N 3.33Å; Y199-V201 PolarHBondContact O-N 3.03Å; Y199-K202 PolarHBondContact O-N 3.46Å; Y199-L203 WeakPolarHBondContact O-CB 3.29Å; Y199-L203 PolarHBondContact O-N 3.28Å; Y199-F210 HydrophobicContact CD1-CD1 4.3Å; Y199-F210 AromaticContact CD1-CE1 3.35Å; Y199-F210 HydrophobicContact CD1-CE1 3.35Å; Y199-F210 AromaticContact CD1-CZ 3.8Å; Y199-F210 HydrophobicContact CD1-CZ 3.8Å; Y199-F210 HydrophobicContact CD2-CD1 4.18Å; Y199-F210 AromaticContact CD2-CE1 3.63Å; Y199-F210 HydrophobicContact CD2-CE1 3.63Å; Y199-F210 AromaticContact CE1-CE1 3.57Å; Y199-F210 HydrophobicContact CE1-CE1 3.57Å; Y199-F210 AromaticContact CE1-CZ 3.78Å; Y199-F210 HydrophobicContact CE1-CZ 3.78Å; Y199-F210 AromaticContact CE2-CE1 3.8Å; Y199-F210 HydrophobicContact CE2-CE1 3.8Å; Y199-F210 AromaticContact CG-CD1 3.97Å; Y199-F210 HydrophobicContact CG-CD1 3.97Å; Y199-F210 AromaticContact CG-CE1 3.39Å; Y199-F210 HydrophobicContact CG-CE1 3.39Å; Y199-F210 HydrophobicContact CG-CZ 4.29Å; Y199-F210 AromaticContact CZ-CE1 3.79Å
200V90.5Very high92.6Very high16 Ų1668.1 Ų68.110%0.09733%0.33CS..Hα-helixtrans-58.6-47.3169.8-179.90000110.5T150 A196 R197 K202 L203 Q204T150-V200 HydrophobicContact CG2-CG1 4.44Å; T150-V200 VanDerWaalsContact O-CG2 3.25Å; T150-V200 WeakPolarHBondContact O-CG2 3.43Å; A196-V200 WeakPolarHBondContact O-CG2 3.37Å; A196-V200 PolarHBondContact O-N 3.49Å; A196-V200 VanDerWaalsContact O-N 3.17Å; R197-V200 WeakPolarHBondContact O-CB 3.31Å; R197-V200 PolarHBondContact O-N 3.26Å; V200-K202 PolarHBondContact O-N 3.07Å; V200-L203 PolarHBondContact O-N 2.98Å; V200-Q204 HydrophobicContact CG1-CG 4.31Å; V200-Q204 WeakPolarHBondContact O-CB 3.45Å; V200-Q204 VanDerWaalsContact O-CG 3.29Å; V200-Q204 WeakPolarHBondContact O-CG 3.29Å; V200-Q204 PolarHBondContact O-N 3.49Å
201V88.3Confident92.5Very high91 Ų9165.1 Ų65.155%0.55231%0.311SS*.Hα-helixtrans-61.9-44.7179.8178.60000110.8R197 N198 Y199 Q204 S205R197-V201 PolarHBondContact O-N 2.87Å; N198-V201 WeakPolarHBondContact O-CB 3.06Å; N198-V201 PolarHBondContact O-N 3.19Å; Y199-V201 VanDerWaalsContact C-N 3.33Å; Y199-V201 PolarHBondContact O-N 3.03Å; V201-Q204 PolarHBondContact O-N 3.26Å; V201-S205 WeakPolarHBondContact O-CB 3.43Å; V201-S205 PolarHBondContact O-N 3.39Å; V201-S205 PolarHBondContact O-OG 3.1Å
202K92.9Very high92.5Very high98 Ų9861.4 Ų61.443%0.42629%0.294SS..Hα-helixtrans-60.9-47.6177.3-70.7-71.1-173.4171.90112.2N198 Y199 V200 Q204 S205 G206 D207 F210N198-K202 WeakPolarHBondContact O-CG 3.47Å; N198-K202 PolarHBondContact O-N 3.04Å; Y199-K202 PolarHBondContact O-N 3.46Å; V200-K202 PolarHBondContact O-N 3.07Å; K202-Q204 PolarHBondContact O-N 3.46Å; K202-S205 WeakPolarHBondContact CA-OG 3.24Å; K202-S205 PolarHBondContact O-N 2.9Å; K202-S205 PolarHBondContact O-OG 3.44Å; K202-G206 PolarHBondContact O-N 3.04Å; K202-D207 HydrophobicContact CB-CB 4.28Å; K202-D207 HydrophobicContact CD-CB 4.5Å; K202-D207 WeakPolarHBondContact O-CB 3.47Å; K202-D207 PolarHBondContact O-N 3.43Å; K202-D207 VanDerWaalsContact O-N 3.14Å; K202-F210 HydrophobicContact CB-CB 4.45Å; K202-F210 HydrophobicContact CB-CD1 4.23Å; K202-F210 HydrophobicContact CB-CD2 3.41Å; K202-F210 VanDerWaalsContact CB-CD2 3.41Å; K202-F210 HydrophobicContact CB-CE1 4.39Å; K202-F210 HydrophobicContact CB-CE2 3.56Å; K202-F210 HydrophobicContact CB-CG 3.75Å; K202-F210 HydrophobicContact CB-CZ 4.07Å; K202-F210 HydrophobicContact CD-CE2 4.09Å; K202-F210 HydrophobicContact CG-CD2 4.09Å; K202-F210 HydrophobicContact CG-CE2 3.7Å; K202-F210 HydrophobicContact CG-CZ 4.06Å
203L92Very high92.4Very high3 Ų361.3 Ų61.32%0.01629%0.294CS..Hα-helixtrans-58.4-46.6176179.363.1000111.6W148 F152 I156 Y199 V200 S205 G206 F210 R211 W214W148-L203 HydrophobicContact CE3-CD2 4.45Å; W148-L203 HydrophobicContact CH2-CD1 4.11Å; W148-L203 HydrophobicContact CH2-CD2 4.16Å; W148-L203 HydrophobicContact CH2-CG 3.64Å; W148-L203 HydrophobicContact CZ2-CG 4.45Å; W148-L203 HydrophobicContact CZ3-CD1 4.02Å; W148-L203 HydrophobicContact CZ3-CD2 3.95Å; W148-L203 HydrophobicContact CZ3-CG 3.8Å; F152-L203 HydrophobicContact CB-CD2 3.88Å; I156-L203 HydrophobicContact CD1-CD2 3.99Å; Y199-L203 WeakPolarHBondContact O-CB 3.29Å; Y199-L203 PolarHBondContact O-N 3.28Å; V200-L203 PolarHBondContact O-N 2.98Å; L203-S205 PolarHBondContact O-N 3.05Å; L203-G206 PolarHBondContact O-N 3.19Å; L203-G206 VanDerWaalsContact O-N 3.13Å; L203-F210 HydrophobicContact CB-CB 4.26Å; L203-F210 HydrophobicContact CD1-CB 4.45Å; L203-R211 HydrophobicContact CD1-CG 4.2Å; L203-W214 HydrophobicContact CD1-CB 3.66Å; L203-W214 HydrophobicContact CD1-CG 4Å; L203-W214 HydrophobicContact CD2-CB 4.35Å; L203-W214 HydrophobicContact CD2-CG 4.32Å
204Q86.2Confident92.4Very high104 Ų10462.8 Ų62.849%0.48630%0.298SS..Hα-helixtrans-68-32.2179.1-72.1177.8-800113.5W148 V200 V201 K202 G206W148-Q204 HydrophobicContact CZ2-CG 3.84Å; V200-Q204 HydrophobicContact CG1-CG 4.31Å; V200-Q204 WeakPolarHBondContact O-CB 3.45Å; V200-Q204 VanDerWaalsContact O-CG 3.29Å; V200-Q204 WeakPolarHBondContact O-CG 3.29Å; V200-Q204 PolarHBondContact O-N 3.49Å; V201-Q204 PolarHBondContact O-N 3.26Å; K202-Q204 PolarHBondContact O-N 3.46Å; Q204-G206 PolarHBondContact O-N 2.94Å
205S86.4Confident92.4Very high85 Ų8562.6 Ų62.659%0.59429%0.293SS*.Hα-helixtrans-71.3-9.5173.369.80000113.8V201 K202 L203V201-S205 WeakPolarHBondContact O-CB 3.43Å; V201-S205 PolarHBondContact O-N 3.39Å; V201-S205 PolarHBondContact O-OG 3.1Å; K202-S205 WeakPolarHBondContact CA-OG 3.24Å; K202-S205 PolarHBondContact O-N 2.9Å; K202-S205 PolarHBondContact O-OG 3.44Å; L203-S205 PolarHBondContact O-N 3.05Å
206G88.6Confident92.3Very high14 Ų1462.9 Ų62.914%0.14430%0.296CS..THydrogen-bonded Turntrans84.426178.900000114.9K202 L203 Q204 E208 R211K202-G206 PolarHBondContact O-N 3.04Å; L203-G206 PolarHBondContact O-N 3.19Å; L203-G206 VanDerWaalsContact O-N 3.13Å; Q204-G206 PolarHBondContact O-N 2.94Å; G206-E208 PolarHBondContact O-N 3.06Å; G206-R211 VanDerWaalsContact CA-NE 3.33Å; G206-R211 PolarHBondContact O-NH1 2.82Å
207D94.5Very high92.2Very high51 Ų5162.9 Ų62.927%0.27330%0.296SS..  trans-62.4124174.5-170.8-56.7000110.3K202 Y209 F210 R211K202-D207 HydrophobicContact CB-CB 4.28Å; K202-D207 HydrophobicContact CD-CB 4.5Å; K202-D207 WeakPolarHBondContact O-CB 3.47Å; K202-D207 PolarHBondContact O-N 3.43Å; K202-D207 VanDerWaalsContact O-N 3.14Å; D207-Y209 VanDerWaalsContact C-N 3.32Å; D207-Y209 PolarHBondContact O-N 3.18Å; D207-Y209 PolarHBondContact OD1-N 3.03Å; D207-Y209 VanDerWaalsContact OD1-N 3.12Å; D207-F210 HydrophobicContact CB-CD2 3.77Å; D207-F210 PolarHBondContact O-N 3.12Å; D207-F210 WeakPolarHBondContact OD1-CD2 3.22Å; D207-R211 WeakPolarHBondContact O-CG 3.31Å; D207-R211 PolarHBondContact O-N 3.27Å
208E95.4Very high92.2Very high108 Ų10858.1 Ų58.151%0.50528%0.28SS..Hα-helixtrans-63.9-33.7-171.3-73.9-59.8128.900113.1G206 R211 E212G206-E208 PolarHBondContact O-N 3.06Å; E208-R211 PolarHBondContact O-N 2.89Å; E208-R211 IonicContact OE1-CZ 3.78Å; E208-R211 IonicContact OE1-NH1 3.7Å; E208-R211 PolarHBondContact OE1-NH1 3.25Å; E208-E212 WeakPolarHBondContact O-CB 3.44Å; E208-E212 PolarHBondContact O-N 2.92Å
209Y95.2Very high92.2Very high95 Ų9557.5 Ų57.537%0.37328%0.276SS..Hα-helixtrans-65.6-47.6178.1174.8-104.5000111E160 D207 R211 E212 M213E160-Y209 PolarHBondContact OE1-OH 2.72Å; D207-Y209 VanDerWaalsContact C-N 3.32Å; D207-Y209 PolarHBondContact O-N 3.18Å; D207-Y209 PolarHBondContact OD1-N 3.03Å; D207-Y209 VanDerWaalsContact OD1-N 3.12Å; Y209-R211 VanDerWaalsContact C-N 3.34Å; Y209-R211 PolarHBondContact O-N 3.19Å; Y209-E212 WeakPolarHBondContact O-CB 3.47Å; Y209-E212 PolarHBondContact O-N 3.43Å; Y209-M213 HydrophobicContact CE1-CG 4.22Å; Y209-M213 HydrophobicContact CE2-CG 4.37Å; Y209-M213 WeakPolarHBondContact O-CG 3.37Å; Y209-M213 PolarHBondContact O-N 2.88Å
210F94.1Very high92Very high19 Ų1958.3 Ų58.38%0.08328%0.282CS..Hα-helixtrans-69.2-34179.5-65-84.9000111.8I156 Y199 K202 L203 D207 E212 M213 W214I156-F210 HydrophobicContact CG2-CD1 3.94Å; I156-F210 HydrophobicContact CG2-CE1 4.46Å; Y199-F210 HydrophobicContact CD1-CD1 4.3Å; Y199-F210 AromaticContact CD1-CE1 3.35Å; Y199-F210 HydrophobicContact CD1-CE1 3.35Å; Y199-F210 AromaticContact CD1-CZ 3.8Å; Y199-F210 HydrophobicContact CD1-CZ 3.8Å; Y199-F210 HydrophobicContact CD2-CD1 4.18Å; Y199-F210 AromaticContact CD2-CE1 3.63Å; Y199-F210 HydrophobicContact CD2-CE1 3.63Å; Y199-F210 AromaticContact CE1-CE1 3.57Å; Y199-F210 HydrophobicContact CE1-CE1 3.57Å; Y199-F210 AromaticContact CE1-CZ 3.78Å; Y199-F210 HydrophobicContact CE1-CZ 3.78Å; Y199-F210 AromaticContact CE2-CE1 3.8Å; Y199-F210 HydrophobicContact CE2-CE1 3.8Å; Y199-F210 AromaticContact CG-CD1 3.97Å; Y199-F210 HydrophobicContact CG-CD1 3.97Å; Y199-F210 AromaticContact CG-CE1 3.39Å; Y199-F210 HydrophobicContact CG-CE1 3.39Å; Y199-F210 HydrophobicContact CG-CZ 4.29Å; Y199-F210 AromaticContact CZ-CE1 3.79Å; K202-F210 HydrophobicContact CB-CB 4.45Å; K202-F210 HydrophobicContact CB-CD1 4.23Å; K202-F210 HydrophobicContact CB-CD2 3.41Å; K202-F210 VanDerWaalsContact CB-CD2 3.41Å; K202-F210 HydrophobicContact CB-CE1 4.39Å; K202-F210 HydrophobicContact CB-CE2 3.56Å; K202-F210 HydrophobicContact CB-CG 3.75Å; K202-F210 HydrophobicContact CB-CZ 4.07Å; K202-F210 HydrophobicContact CD-CE2 4.09Å; K202-F210 HydrophobicContact CG-CD2 4.09Å; K202-F210 HydrophobicContact CG-CE2 3.7Å; K202-F210 HydrophobicContact CG-CZ 4.06Å; L203-F210 HydrophobicContact CB-CB 4.26Å; L203-F210 HydrophobicContact CD1-CB 4.45Å; D207-F210 HydrophobicContact CB-CD2 3.77Å; D207-F210 PolarHBondContact O-N 3.12Å; D207-F210 WeakPolarHBondContact OD1-CD2 3.22Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-M213 PolarHBondContact O-N 2.74Å; F210-W214 VanDerWaalsContact O-CB 3.28Å; F210-W214 WeakPolarHBondContact O-CB 3.44Å; F210-W214 PolarHBondContact O-N 3.3Å
211R93.6Very high92.1Very high99 Ų9957.5 Ų57.537%0.37428%0.277SS..Hα-helixtrans-62.5-40170.2-77.8179.2169.2165.71.8112.3L203 G206 D207 E208 Y209 W214 R215L203-R211 HydrophobicContact CD1-CG 4.2Å; G206-R211 VanDerWaalsContact CA-NE 3.33Å; G206-R211 PolarHBondContact O-NH1 2.82Å; D207-R211 WeakPolarHBondContact O-CG 3.31Å; D207-R211 PolarHBondContact O-N 3.27Å; E208-R211 PolarHBondContact O-N 2.89Å; E208-R211 IonicContact OE1-CZ 3.78Å; E208-R211 IonicContact OE1-NH1 3.7Å; E208-R211 PolarHBondContact OE1-NH1 3.25Å; Y209-R211 VanDerWaalsContact C-N 3.34Å; Y209-R211 PolarHBondContact O-N 3.19Å; R211-W214 PolarHBondContact O-N 2.86Å; R211-R215 WeakPolarHBondContact O-CG 3.49Å; R211-R215 PolarHBondContact O-N 2.68Å
212E94.3Very high92.4Very high83 Ų8353.5 Ų53.539%0.38825%0.253SS..Hα-helixtrans-64.5-45.3176.1-166.2-167.1140.400111.7E208 Y209 F210 W214 R215 K216E208-E212 WeakPolarHBondContact O-CB 3.44Å; E208-E212 PolarHBondContact O-N 2.92Å; Y209-E212 WeakPolarHBondContact O-CB 3.47Å; Y209-E212 PolarHBondContact O-N 3.43Å; F210-E212 VanDerWaalsContact C-N 3.35Å; E212-W214 VanDerWaalsContact C-N 3.32Å; E212-W214 PolarHBondContact O-N 2.8Å; E212-R215 PolarHBondContact O-N 2.87Å; E212-K216 WeakPolarHBondContact O-CG 3.44Å; E212-K216 PolarHBondContact O-N 2.89Å; E212-K216 VanDerWaalsContact OE1-CE 3.24Å; E212-K216 WeakPolarHBondContact OE1-CE 3.43Å; E212-K216 IonicContact OE1-NZ 3.84Å; E212-K216 PolarHBondContact OE1-NZ 2.96Å
213M92.6Very high92.4Very high2 Ų252 Ų521%0.0125%0.252CS..Hα-helixtrans-62.6-40.7176.5-67.8-65.4-83.600112.1I156 L159 E160 Y209 F210 K216 L217I156-M213 HydrophobicContact CG1-CB 4.18Å; I156-M213 HydrophobicContact CG2-CB 3.73Å; I156-M213 HydrophobicContact CG2-CG 4.25Å; L159-M213 HydrophobicContact CB-CE 3.9Å; L159-M213 HydrophobicContact CD2-CE 3.65Å; L159-M213 HydrophobicContact CD2-SD 4.14Å; L159-M213 HydrophobicContact CG-CE 3.56Å; E160-M213 HydrophobicContact CB-CE 3.98Å; Y209-M213 HydrophobicContact CE1-CG 4.22Å; Y209-M213 HydrophobicContact CE2-CG 4.37Å; Y209-M213 WeakPolarHBondContact O-CG 3.37Å; Y209-M213 PolarHBondContact O-N 2.88Å; F210-M213 PolarHBondContact O-N 2.74Å; M213-K216 PolarHBondContact O-N 2.97Å; M213-K216 HydrophobicContact SD-CD 4.46Å; M213-L217 PolarHBondContact O-N 3.05Å
214W94.4Very high92.4Very high36 Ų3654.1 Ų54.114%0.13626%0.262CS..Hα-helixtrans-60-50.1172.4167.976.2000112D147 W148 F152 I156 L203 F210 R211 E212 K216 L217 V218 S245D147-W214 HydrophobicContact CB-CZ2 4.27Å; D147-W214 PolarHBondContact O-NE1 2.96Å; W148-W214 HydrophobicContact CE3-CZ2 4.36Å; W148-W214 HydrophobicContact CZ3-CD2 4.47Å; F152-W214 AromaticContact CD1-CD1 3.44Å; F152-W214 VanDerWaalsContact CD1-CD1 3.44Å; F152-W214 AromaticContact CE1-CD1 3.5Å; F152-W214 VanDerWaalsContact CE1-CD1 3.5Å; F152-W214 AromaticContact CE1-NE1 3.73Å; F152-W214 AromaticContact CG-CD1 3.91Å; F152-W214 AromaticContact CZ-NE1 3.84Å; I156-W214 HydrophobicContact CD1-CB 4.17Å; L203-W214 HydrophobicContact CD1-CB 3.66Å; L203-W214 HydrophobicContact CD1-CG 4Å; L203-W214 HydrophobicContact CD2-CB 4.35Å; L203-W214 HydrophobicContact CD2-CG 4.32Å; F210-W214 VanDerWaalsContact O-CB 3.28Å; F210-W214 WeakPolarHBondContact O-CB 3.44Å; F210-W214 PolarHBondContact O-N 3.3Å; R211-W214 PolarHBondContact O-N 2.86Å; E212-W214 VanDerWaalsContact C-N 3.32Å; E212-W214 PolarHBondContact O-N 2.8Å; W214-K216 VanDerWaalsContact C-N 3.29Å; W214-K216 PolarHBondContact O-N 3.42Å; W214-L217 WeakPolarHBondContact O-CB 3.43Å; W214-L217 PolarHBondContact O-N 2.58Å; W214-L217 VanDerWaalsContact O-N 3.1Å; W214-V218 HydrophobicContact CD2-CG2 4.23Å; W214-V218 HydrophobicContact CZ2-CG2 3.89Å; W214-V218 WeakPolarHBondContact O-CG2 3.45Å; W214-V218 PolarHBondContact O-N 2.91Å; W214-S245 WeakPolarHBondContact CH2-OG 3.45Å; W214-S245 WeakPolarHBondContact CZ2-OG 3.47Å
215R93.3Very high92.7Very high107 Ų10749.3 Ų49.340%0.40424%0.239SC..Hα-helixtrans-56-43.1177.7-77.4-173.9-61.2-123.8-2111.7R211 E212 L217 V218 D219R211-R215 WeakPolarHBondContact O-CG 3.49Å; R211-R215 PolarHBondContact O-N 2.68Å; E212-R215 PolarHBondContact O-N 2.87Å; R215-L217 VanDerWaalsContact C-N 3.35Å; R215-L217 PolarHBondContact O-N 3.42Å; R215-V218 PolarHBondContact O-N 2.84Å; R215-D219 WeakPolarHBondContact O-CB 3.4Å; R215-D219 PolarHBondContact O-N 2.86Å
216K91.7Very high93.2Very high76 Ų7646.8 Ų46.833%0.3322%0.218SC..Hα-helixtrans-56.4-46.7176.1-72.3173.4-175.7165.90112E212 M213 W214 V218 D219 I220E212-K216 WeakPolarHBondContact O-CG 3.44Å; E212-K216 PolarHBondContact O-N 2.89Å; E212-K216 VanDerWaalsContact OE1-CE 3.24Å; E212-K216 WeakPolarHBondContact OE1-CE 3.43Å; E212-K216 IonicContact OE1-NZ 3.84Å; E212-K216 PolarHBondContact OE1-NZ 2.96Å; M213-K216 PolarHBondContact O-N 2.97Å; M213-K216 HydrophobicContact SD-CD 4.46Å; W214-K216 VanDerWaalsContact C-N 3.29Å; W214-K216 PolarHBondContact O-N 3.42Å; K216-V218 PolarHBondContact O-N 3.31Å; K216-D219 PolarHBondContact O-N 2.84Å; K216-I220 WeakPolarHBondContact O-CD1 3.43Å; K216-I220 VanDerWaalsContact O-CG1 3.23Å; K216-I220 WeakPolarHBondContact O-CG1 3.27Å; K216-I220 PolarHBondContact O-N 2.74Å
217L91.9Very high93.5Very high1 Ų150.8 Ų50.81%0.00524%0.235CC..Hα-helixtrans-62.8-41.5177.7-69.1168.2000112.4F152 L155 I156 L159 F178 M213 W214 R215 T221F152-L217 HydrophobicContact CD1-CD1 4.31Å; L155-L217 HydrophobicContact CB-CD1 3.71Å; I156-L217 HydrophobicContact CG1-CD1 3.98Å; L159-L217 HydrophobicContact CD2-CD1 4.49Å; L159-L217 HydrophobicContact CD2-CD2 3.97Å; L159-L217 HydrophobicContact CD2-CG 3.92Å; F178-L217 HydrophobicContact CE1-CD2 3.8Å; F178-L217 HydrophobicContact CZ-CD2 4.14Å; M213-L217 PolarHBondContact O-N 3.05Å; W214-L217 WeakPolarHBondContact O-CB 3.43Å; W214-L217 PolarHBondContact O-N 2.58Å; W214-L217 VanDerWaalsContact O-N 3.1Å; R215-L217 VanDerWaalsContact C-N 3.35Å; R215-L217 PolarHBondContact O-N 3.42Å; L217-T221 PolarHBondContact O-N 2.98Å; L217-T221 VanDerWaalsContact O-N 3.16Å; L217-T221 PolarHBondContact O-OG1 3.33Å
218V93Very high93.5Very high16 Ų1649 Ų4910%0.09723%0.226CC..Hα-helixtrans-63.1-50.2175.6177.20000110.1V110 D147 W214 R215 K216 I220 T221 M222V110-V218 HydrophobicContact CG1-CG2 4.07Å; V110-V218 HydrophobicContact CG2-CG2 4.34Å; D147-V218 HydrophobicContact CB-CG2 4.11Å; W214-V218 HydrophobicContact CD2-CG2 4.23Å; W214-V218 HydrophobicContact CZ2-CG2 3.89Å; W214-V218 WeakPolarHBondContact O-CG2 3.45Å; W214-V218 PolarHBondContact O-N 2.91Å; R215-V218 PolarHBondContact O-N 2.84Å; K216-V218 PolarHBondContact O-N 3.31Å; V218-I220 PolarHBondContact O-N 3.09Å; V218-T221 PolarHBondContact O-N 3.32Å; V218-T221 VanDerWaalsContact O-N 3.17Å; V218-M222 HydrophobicContact CG1-CG 4.07Å; V218-M222 WeakPolarHBondContact O-CB 3.34Å; V218-M222 VanDerWaalsContact O-CG 3.3Å; V218-M222 WeakPolarHBondContact O-CG 3.22Å; V218-M222 PolarHBondContact O-N 3.43Å
219D92.9Very high93.6Very high74 Ų7443.9 Ų43.940%0.39620%0.202SC..Hα-helixtrans-59.9-41.8-178.3-85.6-45.7000113.1R215 K216 M222 T223 R238R215-D219 WeakPolarHBondContact O-CB 3.4Å; R215-D219 PolarHBondContact O-N 2.86Å; K216-D219 PolarHBondContact O-N 2.84Å; D219-M222 PolarHBondContact O-N 3.15Å; D219-T223 WeakPolarHBondContact O-CB 3.19Å; D219-T223 PolarHBondContact O-N 2.86Å; D219-T223 PolarHBondContact O-OG1 3.22Å; D219-R238 PolarHBondContact O-NH2 2.81Å; D219-R238 IonicContact OD1-CZ 2.96Å; D219-R238 IonicContact OD1-NH1 3.29Å; D219-R238 PolarHBondContact OD1-NH1 3.23Å
220I91.1Very high93.7Very high46 Ų4644.1 Ų44.124%0.23621%0.21CC..Hα-helixtrans-62.9-49.1175.9-68.2160000109.8L172 L175 K216 V218 M222 T223 Q224L172-I220 HydrophobicContact CB-CD1 4.08Å; L172-I220 HydrophobicContact CB-CG2 3.79Å; L172-I220 HydrophobicContact CD1-CD1 3.56Å; L172-I220 HydrophobicContact CG-CD1 4.43Å; L175-I220 HydrophobicContact CD2-CG2 3.93Å; K216-I220 WeakPolarHBondContact O-CD1 3.43Å; K216-I220 VanDerWaalsContact O-CG1 3.23Å; K216-I220 WeakPolarHBondContact O-CG1 3.27Å; K216-I220 PolarHBondContact O-N 2.74Å; V218-I220 PolarHBondContact O-N 3.09Å; I220-M222 VanDerWaalsContact C-N 3.32Å; I220-M222 PolarHBondContact O-N 3.18Å; I220-T223 WeakPolarHBondContact O-CB 3.4Å; I220-T223 PolarHBondContact O-N 2.69Å; I220-Q224 PolarHBondContact O-N 2.91Å; I220-Q224 VanDerWaalsContact O-N 3.11Å
221T91.9Very high93.7Very high0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-60.5-43.5178.8-52.90000111.6V110 A111 L175 L217 V218 T223 Q224 N225V110-T221 HydrophobicContact CB-CG2 4.45Å; V110-T221 HydrophobicContact CG1-CG2 4.45Å; A111-T221 PolarHBondContact N-OG1 3.47Å; L175-T221 HydrophobicContact CD1-CG2 3.96Å; L175-T221 WeakPolarHBondContact CD1-OG1 3.43Å; L217-T221 PolarHBondContact O-N 2.98Å; L217-T221 VanDerWaalsContact O-N 3.16Å; L217-T221 PolarHBondContact O-OG1 3.33Å; V218-T221 PolarHBondContact O-N 3.32Å; V218-T221 VanDerWaalsContact O-N 3.17Å; T221-T223 VanDerWaalsContact C-N 3.32Å; T221-T223 PolarHBondContact O-N 3.25Å; T221-Q224 PolarHBondContact O-N 3.23Å; T221-N225 WeakPolarHBondContact O-CB 3.25Å; T221-N225 PolarHBondContact O-N 3.11Å; T221-N225 PolarHBondContact O-ND2 3.2Å
222M93.6Very high93.9Very high6 Ų641.4 Ų41.43%0.0320%0.199CC..Hα-helixtrans-68.1-32.6179.7-68-46.3-5200112.7V145 V218 D219 I220 N225 Q226 V241V145-M222 HydrophobicContact CG1-CE 4.38Å; V145-M222 HydrophobicContact CG1-SD 3.86Å; V218-M222 HydrophobicContact CG1-CG 4.07Å; V218-M222 WeakPolarHBondContact O-CB 3.34Å; V218-M222 VanDerWaalsContact O-CG 3.3Å; V218-M222 WeakPolarHBondContact O-CG 3.22Å; V218-M222 PolarHBondContact O-N 3.43Å; D219-M222 PolarHBondContact O-N 3.15Å; I220-M222 VanDerWaalsContact C-N 3.32Å; I220-M222 PolarHBondContact O-N 3.18Å; M222-N225 HydrophobicContact CE-CB 4.45Å; M222-Q226 WeakPolarHBondContact O-CB 3.38Å; M222-Q226 PolarHBondContact O-N 2.85Å; M222-V241 HydrophobicContact CE-CG2 3.51Å; M222-V241 HydrophobicContact SD-CG2 4.35Å
223T93.3Very high94.1Very high66 Ų6639.9 Ų39.941%0.40519%0.193SC..Hα-helixtrans-62.9-47.3172.2-54.30000111.1D219 I220 T221 Q226 I227 R238D219-T223 WeakPolarHBondContact O-CB 3.19Å; D219-T223 PolarHBondContact O-N 2.86Å; D219-T223 PolarHBondContact O-OG1 3.22Å; I220-T223 WeakPolarHBondContact O-CB 3.4Å; I220-T223 PolarHBondContact O-N 2.69Å; T221-T223 VanDerWaalsContact C-N 3.32Å; T221-T223 PolarHBondContact O-N 3.25Å; T223-Q226 PolarHBondContact O-N 3.06Å; T223-I227 WeakPolarHBondContact O-CG1 3.36Å; T223-I227 PolarHBondContact O-N 3.05Å; T223-I227 VanDerWaalsContact O-N 3.17Å; T223-R238 PolarHBondContact OG1-NH2 3.07Å
224Q91.6Very high94.3Very high49 Ų4940.2 Ų40.223%0.22920%0.196CC..Hα-helixtrans-65.9-39.8178.9-170.4173.79.600112.2I220 T221 Q226 I227 T228I220-Q224 PolarHBondContact O-N 2.91Å; I220-Q224 VanDerWaalsContact O-N 3.11Å; T221-Q224 PolarHBondContact O-N 3.23Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q224-I227 PolarHBondContact O-N 3.31Å; Q224-T228 PolarHBondContact O-N 3.04Å; Q224-T228 PolarHBondContact O-OG1 3.23Å
225N94Very high94.5Very high3 Ų340.1 Ų40.12%0.01620%0.199CC..Hα-helixtrans-63.1-41.3174.2-69.2-15.3000111.3P108 M114 T221 M222 I227 T228 Y229P108-N225 WeakPolarHBondContact CG-ND2 3.38Å; M114-N225 WeakPolarHBondContact CG-OD1 3.28Å; M114-N225 HydrophobicContact SD-CB 4.19Å; T221-N225 WeakPolarHBondContact O-CB 3.25Å; T221-N225 PolarHBondContact O-N 3.11Å; T221-N225 PolarHBondContact O-ND2 3.2Å; M222-N225 HydrophobicContact CE-CB 4.45Å; N225-I227 PolarHBondContact O-N 2.97Å; N225-T228 CarbonylContact O-C 3.52Å; N225-T228 WeakPolarHBondContact O-CA 3.44Å; N225-T228 WeakPolarHBondContact O-CB 3.09Å; N225-T228 PolarHBondContact O-N 3.19Å; N225-Y229 HydrophobicContact CB-CE2 3.98Å; N225-Y229 WeakPolarHBondContact O-CD2 3.21Å; N225-Y229 PolarHBondContact O-N 3.05Å
226Q95.6Very high94.7Very high32 Ų3235.1 Ų35.115%0.1518%0.18CC..Hα-helixtrans-60.8-42.9178.3-167.964.253.700111.9M222 T223 Q224 T228 Y229 D230 L236M222-Q226 WeakPolarHBondContact O-CB 3.38Å; M222-Q226 PolarHBondContact O-N 2.85Å; T223-Q226 PolarHBondContact O-N 3.06Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q226-T228 PolarHBondContact O-N 3.5Å; Q226-Y229 PolarHBondContact O-N 2.76Å; Q226-D230 PolarHBondContact NE2-OD1 2.81Å; Q226-D230 PolarHBondContact O-N 3.25Å; Q226-L236 PolarHBondContact NE2-O 2.95Å; Q226-L236 PolarHBondContact OE1-O 3.18Å
227I94.8Very high94.9Very high98 Ų9834.3 Ų34.350%0.50318%0.182SC..Hα-helixtrans-55-40.6173.9-64.8166.7000110.7T223 Q224 N225 R231T223-I227 WeakPolarHBondContact O-CG1 3.36Å; T223-I227 PolarHBondContact O-N 3.05Å; T223-I227 VanDerWaalsContact O-N 3.17Å; Q224-I227 PolarHBondContact O-N 3.31Å; N225-I227 PolarHBondContact O-N 2.97Å; I227-R231 WeakPolarHBondContact O-CB 3.49Å; I227-R231 WeakPolarHBondContact O-CG 3.45Å; I227-R231 PolarHBondContact O-N 2.85Å
228T94.9Very high95.1Very high12 Ų1239.7 Ų39.77%0.07420%0.202CC..Hα-helixtrans-70.1-39.8178.1-56.30000112M114 Q224 N225 Q226 L232 L376 L380M114-T228 HydrophobicContact SD-CG2 4.18Å; Q224-T228 PolarHBondContact O-N 3.04Å; Q224-T228 PolarHBondContact O-OG1 3.23Å; N225-T228 CarbonylContact O-C 3.52Å; N225-T228 WeakPolarHBondContact O-CA 3.44Å; N225-T228 WeakPolarHBondContact O-CB 3.09Å; N225-T228 PolarHBondContact O-N 3.19Å; Q226-T228 PolarHBondContact O-N 3.5Å; T228-L232 HydrophobicContact CG2-CD1 4.23Å; T228-L232 WeakPolarHBondContact O-CB 3.41Å; T228-L232 WeakPolarHBondContact O-CG 3.41Å; T228-L232 PolarHBondContact O-N 2.9Å; T228-L376 HydrophobicContact CG2-CB 4.46Å; T228-L376 HydrophobicContact CG2-CD2 3.57Å; T228-L376 HydrophobicContact CG2-CG 3.79Å; T228-L380 HydrophobicContact CG2-CD1 4.17Å
229Y97.4Very high95.2Very high1 Ų146 Ų460%0.00424%0.236CC..Hα-helixtrans-63.5-43.4174.8-61.4-36.7000112.4S106 M114 T122 N143 N225 Q226 L232 N233 V234 L236S106-Y229 WeakPolarHBondContact CB-OH 3.19Å; S106-Y229 WeakPolarHBondContact OG-CE1 3.06Å; S106-Y229 PolarHBondContact OG-OH 3.19Å; M114-Y229 HydrophobicContact CE-CD1 4.48Å; M114-Y229 HydrophobicContact CE-CE1 3.63Å; M114-Y229 HydrophobicContact SD-CE1 3.84Å; T122-Y229 HydrophobicContact CG2-CD1 3.92Å; T122-Y229 HydrophobicContact CG2-CE1 3.87Å; N143-Y229 PolarHBondContact ND2-OH 3.47Å; N225-Y229 HydrophobicContact CB-CE2 3.98Å; N225-Y229 WeakPolarHBondContact O-CD2 3.21Å; N225-Y229 PolarHBondContact O-N 3.05Å; Q226-Y229 PolarHBondContact O-N 2.76Å; Y229-L232 CarbonylContact O-C 3.57Å; Y229-L232 PolarHBondContact O-N 3.12Å; Y229-L232 VanDerWaalsContact O-N 3.16Å; Y229-N233 PolarHBondContact O-N 3.31Å; Y229-V234 HydrophobicContact CD1-CG1 4.29Å; Y229-V234 PolarHBondContact O-N 3.08Å; Y229-L236 HydrophobicContact CD2-CB 4.04Å; Y229-L236 HydrophobicContact CE1-CD1 4.09Å; Y229-L236 HydrophobicContact CE2-CB 4.22Å; Y229-L236 HydrophobicContact CE2-CD1 4.23Å; Y229-L236 HydrophobicContact CG-CB 4.34Å
230D96.9Very high95.5Very high100 Ų10043.8 Ų43.854%0.53522%0.223SC..Hα-helixtrans-63.6-45.9178.6-62.8-14.9000110.6Q226 L232 N233Q226-D230 PolarHBondContact NE2-OD1 2.81Å; Q226-D230 PolarHBondContact O-N 3.25Å; D230-L232 PolarHBondContact O-N 3.03Å; D230-N233 PolarHBondContact O-N 2.85Å
231R96Very high95.7Very high61 Ų6143.6 Ų43.623%0.2322%0.224CC..Hα-helixtrans-58.3-38173.7-75178.667.11739.1112.4I227 N233 L380 D381 I412I227-R231 WeakPolarHBondContact O-CB 3.49Å; I227-R231 WeakPolarHBondContact O-CG 3.45Å; I227-R231 PolarHBondContact O-N 2.85Å; R231-N233 VanDerWaalsContact C-N 3.27Å; R231-N233 PolarHBondContact O-N 3.25Å; R231-L380 HydrophobicContact CB-CD1 4.22Å; R231-L380 VanDerWaalsContact NH2-C 3.26Å; R231-D381 IonicContact CZ-OD1 3.91Å; R231-D381 IonicContact NH1-OD1 2.73Å; R231-D381 PolarHBondContact NH1-OD1 2.78Å; R231-D381 IonicContact NH2-OD1 3.51Å; R231-D381 PolarHBondContact NH2-OD1 3.13Å; R231-I412 WeakPolarHBondContact O-CD1 3.4Å; R231-I412 WeakPolarHBondContact O-CG1 3.27Å
232L97.2Very high96Very high0 Ų044.8 Ų44.80%023%0.23CC..THydrogen-bonded Turntrans-78.9-3.9176.4-77.6171000112.6L119 T122 T228 Y229 D230 V234 L376 L380 I412 K416L119-L232 HydrophobicContact CD1-CD1 3.88Å; L119-L232 HydrophobicContact CD1-CD2 3.93Å; T122-L232 HydrophobicContact CG2-CD1 4.45Å; T228-L232 HydrophobicContact CG2-CD1 4.23Å; T228-L232 WeakPolarHBondContact O-CB 3.41Å; T228-L232 WeakPolarHBondContact O-CG 3.41Å; T228-L232 PolarHBondContact O-N 2.9Å; Y229-L232 CarbonylContact O-C 3.57Å; Y229-L232 PolarHBondContact O-N 3.12Å; Y229-L232 VanDerWaalsContact O-N 3.16Å; D230-L232 PolarHBondContact O-N 3.03Å; L232-V234 VanDerWaalsContact C-N 3.27Å; L232-V234 HydrophobicContact CB-CB 4.45Å; L232-V234 HydrophobicContact CB-CG2 3.63Å; L232-V234 HydrophobicContact CD1-CG2 4.49Å; L232-V234 PolarHBondContact O-N 2.91Å; L232-L376 HydrophobicContact CD1-CD2 4.12Å; L232-L380 HydrophobicContact CD2-CD1 4.22Å; L232-L380 HydrophobicContact CD2-CD2 3.68Å; L232-L380 HydrophobicContact CG-CD1 3.98Å; L232-L380 HydrophobicContact CG-CD2 4.37Å; L232-I412 HydrophobicContact CD2-CG2 4.45Å; L232-K416 WeakPolarHBondContact O-CE 3.4Å; L232-K416 PolarHBondContact O-NZ 2.9Å
233N97.3Very high96.1Very high51 Ų5144.6 Ų44.627%0.27323%0.23SC..THydrogen-bonded Turntrans49.450.9-169.3-176.218.4000111.3R130 Y229 D230 R231 K416 G556R130-N233 PolarHBondContact NH2-O 2.87Å; R130-N233 PolarHBondContact NH2-OD1 2.85Å; R130-N233 VanDerWaalsContact NH2-OD1 3.1Å; Y229-N233 PolarHBondContact O-N 3.31Å; D230-N233 PolarHBondContact O-N 2.85Å; R231-N233 VanDerWaalsContact C-N 3.27Å; R231-N233 PolarHBondContact O-N 3.25Å; N233-K416 PolarHBondContact O-NZ 3.29Å; N233-G556 PolarHBondContact ND2-O 3.43Å
234V97.8Very high96.2Very high10 Ų1042.3 Ų42.36%0.06122%0.215CC..  trans-100.8142175.8167.40000108.7Y105 T122 D126 Y229 L232 L236Y105-V234 HydrophobicContact CE2-CG1 4.18Å; T122-V234 HydrophobicContact CG2-CB 4.27Å; T122-V234 HydrophobicContact CG2-CG1 3.82Å; T122-V234 HydrophobicContact CG2-CG2 3.7Å; D126-V234 HydrophobicContact CB-CG1 4.17Å; D126-V234 HydrophobicContact CB-CG2 4.29Å; Y229-V234 HydrophobicContact CD1-CG1 4.29Å; Y229-V234 PolarHBondContact O-N 3.08Å; L232-V234 VanDerWaalsContact C-N 3.27Å; L232-V234 HydrophobicContact CB-CB 4.45Å; L232-V234 HydrophobicContact CB-CG2 3.63Å; L232-V234 HydrophobicContact CD1-CG2 4.49Å; L232-V234 PolarHBondContact O-N 2.91Å; V234-L236 VanDerWaalsContact C-N 3.26Å; V234-L236 HydrophobicContact CG1-CB 4.06Å; V234-L236 HydrophobicContact CG1-CD1 4.36Å; V234-L236 HydrophobicContact CG1-CG 4.09Å; V234-L236 PolarHBondContact O-N 3.09Å
235T97.4Very high96.3Very high34 Ų3441.1 Ų41.121%0.20921%0.212CC..  trans-82.95.2-173.159.70000114.6Y105 D126 R130 R141Y105-T235 PolarHBondContact OH-OG1 3.1Å; D126-T235 WeakPolarHBondContact OD1-CB 3Å; D126-T235 WeakPolarHBondContact OD1-CG2 3.07Å; D126-T235 PolarHBondContact OD1-N 2.85Å; D126-T235 PolarHBondContact OD1-OG1 2.74Å; R130-T235 HydrophobicContact CG-CG2 4.29Å; R141-T235 WeakPolarHBondContact CD-O 3.46Å; R141-T235 PolarHBondContact NE-O 2.96Å; R141-T235 PolarHBondContact NE-OG1 3.14Å; R141-T235 PolarHBondContact NH2-OG1 3.18Å; R141-T235 VanDerWaalsContact NH2-OG1 3.15Å
236L97.9Very high96.4Very high1 Ų144.5 Ų44.51%0.00523%0.23CC..  trans-71134.8173.8-76.1176.2000111.4Y105 R141 N143 Q226 Y229 V234 D240Y105-L236 HydrophobicContact CD1-CD2 4.39Å; Y105-L236 HydrophobicContact CD2-CD1 4.21Å; Y105-L236 HydrophobicContact CE1-CD1 4.38Å; Y105-L236 HydrophobicContact CE1-CD2 3.57Å; Y105-L236 HydrophobicContact CE1-CG 4Å; Y105-L236 HydrophobicContact CE2-CD1 3.77Å; Y105-L236 HydrophobicContact CE2-CD2 4.27Å; Y105-L236 HydrophobicContact CE2-CG 3.75Å; Y105-L236 VanDerWaalsContact CZ-CG 3.42Å; Y105-L236 WeakPolarHBondContact OH-CD2 3.35Å; Y105-L236 VanDerWaalsContact OH-CG 3.32Å; Y105-L236 WeakPolarHBondContact OH-CG 3.39Å; R141-L236 HydrophobicContact CB-CD2 3.98Å; N143-L236 HydrophobicContact CB-CD1 4.26Å; N143-L236 HydrophobicContact CB-CD2 4.06Å; Q226-L236 PolarHBondContact NE2-O 2.95Å; Q226-L236 PolarHBondContact OE1-O 3.18Å; Y229-L236 HydrophobicContact CD2-CB 4.04Å; Y229-L236 HydrophobicContact CE1-CD1 4.09Å; Y229-L236 HydrophobicContact CE2-CB 4.22Å; Y229-L236 HydrophobicContact CE2-CD1 4.23Å; Y229-L236 HydrophobicContact CG-CB 4.34Å; V234-L236 VanDerWaalsContact C-N 3.26Å; V234-L236 HydrophobicContact CG1-CB 4.06Å; V234-L236 HydrophobicContact CG1-CD1 4.36Å; V234-L236 HydrophobicContact CG1-CG 4.09Å; V234-L236 PolarHBondContact O-N 3.09Å; L236-D240 HydrophobicContact CD2-CB 3.86Å
237T97.4Very high96.5Very high59 Ų5943 Ų4336%0.36222%0.222SC..  trans-125.3175.5175.369.20000110.7D239 D240T237-D239 PolarHBondContact O-N 3.49Å; T237-D239 PolarHBondContact OG1-N 3.39Å; T237-D240 PolarHBondContact N-OD2 2.9Å; T237-D240 PolarHBondContact O-N 2.85Å; T237-D240 PolarHBondContact OG1-OD2 3.29Å
238R94.3Very high96.4Very high115 Ų11540 Ų4043%0.43421%0.208SC..G310 helixtrans-60.1-28.9172.3-76.8-175.7168.3-127.64.1113.2D219 T223 D240 V241D219-R238 PolarHBondContact O-NH2 2.81Å; D219-R238 IonicContact OD1-CZ 2.96Å; D219-R238 IonicContact OD1-NH1 3.29Å; D219-R238 PolarHBondContact OD1-NH1 3.23Å; T223-R238 PolarHBondContact OG1-NH2 3.07Å; R238-D240 PolarHBondContact O-N 2.86Å; R238-V241 WeakPolarHBondContact O-CB 3.42Å; R238-V241 VanDerWaalsContact O-CG2 3.28Å; R238-V241 WeakPolarHBondContact O-CG2 3.45Å; R238-V241 PolarHBondContact O-N 3.44Å
239D96.5Very high96.4Very high149 Ų14944.8 Ų44.880%0.79724%0.239SC*.G310 helixtrans-72.8-17.8-178.9-65.8-20.7000112.5T237 V241T237-D239 PolarHBondContact O-N 3.49Å; T237-D239 PolarHBondContact OG1-N 3.39Å; D239-V241 VanDerWaalsContact C-N 3.32Å
240D97.8Very high96.3Very high26 Ų2647 Ų4714%0.13925%0.25CC..G310 helixtrans-87.5-1.8178.8-54.1-57.6000112.6R141 N143 L236 T237 R238 M242R141-D240 HydrophobicContact CB-CB 3.89Å; R141-D240 WeakPolarHBondContact CB-OD1 3.21Å; N143-D240 PolarHBondContact N-O 3.07Å; L236-D240 HydrophobicContact CD2-CB 3.86Å; T237-D240 PolarHBondContact N-OD2 2.9Å; T237-D240 PolarHBondContact O-N 2.85Å; T237-D240 PolarHBondContact OG1-OD2 3.29Å; R238-D240 PolarHBondContact O-N 2.86Å; D240-M242 PolarHBondContact O-N 3.43Å
241V97Very high96.3Very high43 Ų4342.3 Ų42.326%0.26123%0.225SC..BIsolated β-bridgetrans-69.7115.9-179.21790000110.2V145 M222 R238 D239V145-V241 HydrophobicContact CG2-CG1 3.67Å; M222-V241 HydrophobicContact CE-CG2 3.51Å; M222-V241 HydrophobicContact SD-CG2 4.35Å; R238-V241 WeakPolarHBondContact O-CB 3.42Å; R238-V241 VanDerWaalsContact O-CG2 3.28Å; R238-V241 WeakPolarHBondContact O-CG2 3.45Å; R238-V241 PolarHBondContact O-N 3.44Å; D239-V241 VanDerWaalsContact C-N 3.32Å
242M96.7Very high96.3Very high24 Ų2442.5 Ų42.512%0.11823%0.234CC..  trans-12861.3177.1-63.8-169-173.400109.7I140 A142 N143 H144 D240 L246 L314I140-M242 HydrophobicContact CG2-CE 3.74Å; A142-M242 HydrophobicContact CB-CB 4.44Å; A142-M242 HydrophobicContact CB-CG 4.41Å; A142-M242 HydrophobicContact CB-SD 3.86Å; N143-M242 PolarHBondContact O-N 3.43Å; H144-M242 WeakPolarHBondContact CA-O 3.37Å; H144-M242 PolarHBondContact ND1-O 3.44Å; D240-M242 PolarHBondContact O-N 3.43Å; M242-L246 HydrophobicContact CB-CD2 4.1Å; M242-L246 HydrophobicContact CG-CD2 4.29Å; M242-L314 HydrophobicContact CE-CD1 4.17Å; M242-L314 HydrophobicContact SD-CD1 4.17Å
243G95.8Very high96.3Very high3 Ų344.7 Ų44.73%0.03126%0.256CS..  trans-61164.2-176.500000113.9V145 S245 L246 Y247V145-G243 VanDerWaalsContact CG2-CA 3.5Å; V145-G243 WeakPolarHBondContact O-CA 2.96Å; G243-S245 PolarHBondContact O-N 3.16Å; G243-S245 VanDerWaalsContact O-N 3.13Å; G243-L246 WeakPolarHBondContact O-CB 2.92Å; G243-L246 PolarHBondContact O-N 3.4Å; G243-Y247 WeakPolarHBondContact O-CE2 2.95Å
244E96.1Very high96.3Very high17 Ų1742.3 Ų42.38%0.07924%0.244CC..G310 helixtrans-50.9-35.7175.2-66.9-177.7-145.100112.8V145 G146 D147 W148 L246 Y247 Y299 T302V145-E244 PolarHBondContact O-N 3.21Å; V145-E244 VanDerWaalsContact O-N 3.12Å; G146-E244 WeakPolarHBondContact CA-OE1 3.21Å; D147-E244 PolarHBondContact OD1-N 2.82Å; W148-E244 HydrophobicContact CB-CB 3.94Å; E244-L246 PolarHBondContact O-N 3.47Å; E244-Y247 PolarHBondContact O-N 2.86Å; E244-Y247 VanDerWaalsContact O-N 3.13Å; E244-Y299 WeakPolarHBondContact OE1-CE1 3.19Å; E244-Y299 WeakPolarHBondContact OE2-CE1 3.48Å; E244-T302 HydrophobicContact CB-CG2 3.95Å; E244-T302 HydrophobicContact CG-CG2 4.02Å
245S94.6Very high96.3Very high25 Ų2542.1 Ų42.118%0.17524%0.242CC..G310 helixtrans-59.5-27.8-179.873.40000113.9D147 W214 G243 Y247 N248D147-S245 VanDerWaalsContact CG-OG 3.31Å; D147-S245 WeakPolarHBondContact OD1-CB 3.47Å; D147-S245 PolarHBondContact OD1-N 3.17Å; D147-S245 PolarHBondContact OD1-OG 3.22Å; D147-S245 WeakPolarHBondContact OD2-CB 3.29Å; D147-S245 PolarHBondContact OD2-OG 3.11Å; W214-S245 WeakPolarHBondContact CH2-OG 3.45Å; W214-S245 WeakPolarHBondContact CZ2-OG 3.47Å; G243-S245 PolarHBondContact O-N 3.16Å; G243-S245 VanDerWaalsContact O-N 3.13Å; S245-Y247 PolarHBondContact O-N 3.38Å; S245-N248 WeakPolarHBondContact CA-ND2 3.39Å; S245-N248 WeakPolarHBondContact O-CB 3.23Å; S245-N248 PolarHBondContact O-N 3.38Å; S245-N248 PolarHBondContact O-ND2 2.74Å
246L95.9Very high96.3Very high73 Ų7343.3 Ų43.338%0.38226%0.256SS..G310 helixtrans-58.3-33.8177.5-179.563000111.7M242 G243 E244 Y309M242-L246 HydrophobicContact CB-CD2 4.1Å; M242-L246 HydrophobicContact CG-CD2 4.29Å; G243-L246 WeakPolarHBondContact O-CB 2.92Å; G243-L246 PolarHBondContact O-N 3.4Å; E244-L246 PolarHBondContact O-N 3.47Å; L246-Y309 HydrophobicContact CD2-CE1 4.23Å
247Y96.4Very high96.3Very high0 Ų045.7 Ų45.70%027%0.268CS..G310 helixtrans-93.1-7.8-172.4-48.1-72.4000113.3H144 G243 E244 S245 P249 M250 L251 T302 C306 Y309H144-Y247 AromaticContact CE1-CD2 3.92Å; H144-Y247 AromaticContact CE1-CE2 3.35Å; H144-Y247 WeakPolarHBondContact CE1-CE2 3.43Å; H144-Y247 AromaticContact ND1-CE2 3.57Å; G243-Y247 WeakPolarHBondContact O-CE2 2.95Å; E244-Y247 PolarHBondContact O-N 2.86Å; E244-Y247 VanDerWaalsContact O-N 3.13Å; S245-Y247 PolarHBondContact O-N 3.38Å; Y247-P249 VanDerWaalsContact C-CD 3.45Å; Y247-P249 VanDerWaalsContact C-N 3.35Å; Y247-M250 HydrophobicContact CD1-SD 4.31Å; Y247-M250 WeakPolarHBondContact O-CA 3.47Å; Y247-M250 WeakPolarHBondContact O-CB 3.32Å; Y247-M250 PolarHBondContact O-N 3.02Å; Y247-L251 WeakPolarHBondContact O-CG 3.19Å; Y247-L251 PolarHBondContact O-N 2.8Å; Y247-T302 HydrophobicContact CD2-CG2 3.85Å; Y247-T302 HydrophobicContact CG-CG2 4.45Å; Y247-C306 HydrophobicContact CD1-CB 4.25Å; Y247-C306 HydrophobicContact CD2-CB 4.32Å; Y247-C306 HydrophobicContact CE1-CB 3.96Å; Y247-C306 HydrophobicContact CE2-CB 4.05Å; Y247-C306 HydrophobicContact CG-CB 4.41Å; Y247-C306 VanDerWaalsContact CZ-SG 3.52Å; Y247-C306 PolarHBondContact OH-SG 3.44Å; Y247-Y309 HydrophobicContact CD1-CG 4.33Å; Y247-Y309 AromaticContact CE1-CD1 3.9Å; Y247-Y309 HydrophobicContact CE1-CD1 3.9Å; Y247-Y309 AromaticContact CE1-CG 3.88Å; Y247-Y309 HydrophobicContact CE1-CG 3.88Å
248N93Very high96.4Very high36 Ų3642.9 Ų42.919%0.19325%0.251CS..G310 helixtrans-50.1-44.3-178.3-78.8-28.8000114.4W148 S245 M250 L251W148-N248 WeakPolarHBondContact CZ2-ND2 3.41Å; W148-N248 PolarHBondContact NE1-ND2 3.23Å; W148-N248 PolarHBondContact NE1-OD1 3.1Å; S245-N248 WeakPolarHBondContact CA-ND2 3.39Å; S245-N248 WeakPolarHBondContact O-CB 3.23Å; S245-N248 PolarHBondContact O-N 3.38Å; S245-N248 PolarHBondContact O-ND2 2.74Å; N248-M250 PolarHBondContact O-N 3.32Å; N248-L251 PolarHBondContact O-N 3.02Å
249P94.1Very high96.6Very high112 Ų11241 Ų4173%0.72725%0.246SC*.G310 helixtrans-63.3-22.3177.7-2335.5000113.9Y247Y247-P249 VanDerWaalsContact C-CD 3.45Å; Y247-P249 VanDerWaalsContact C-N 3.35Å
250M96.9Very high96.6Very high48 Ų4838 Ų3824%0.23624%0.242CC..G310 helixtrans-84.5-27.5-178.6-59.4175.464.100112.8Y247 N248 G253 I254 A305 K308 Y309Y247-M250 HydrophobicContact CD1-SD 4.31Å; Y247-M250 WeakPolarHBondContact O-CA 3.47Å; Y247-M250 WeakPolarHBondContact O-CB 3.32Å; Y247-M250 PolarHBondContact O-N 3.02Å; N248-M250 PolarHBondContact O-N 3.32Å; M250-G253 WeakPolarHBondContact O-CA 3.43Å; M250-G253 PolarHBondContact O-N 3.47Å; M250-I254 WeakPolarHBondContact O-CG1 3.5Å; M250-I254 PolarHBondContact O-N 3.05Å; M250-A305 HydrophobicContact CB-CB 4.11Å; M250-A305 HydrophobicContact CE-CB 4.44Å; M250-A305 WeakPolarHBondContact CE-O 3.41Å; M250-K308 HydrophobicContact CE-CB 4.48Å; M250-K308 HydrophobicContact CE-CD 4.41Å; M250-Y309 HydrophobicContact SD-CD2 3.94Å; M250-Y309 HydrophobicContact SD-CG 4.45Å
251L95.7Very high96.6Very high2 Ų241.3 Ų41.31%0.0126%0.255CS..Hα-helixtrans-57.7-44.4-169.3-49-178.8000114Y247 N248 G253 I254 V255 Y297 T301 A305Y247-L251 WeakPolarHBondContact O-CG 3.19Å; Y247-L251 PolarHBondContact O-N 2.8Å; N248-L251 PolarHBondContact O-N 3.02Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 2.93Å; L251-I254 PolarHBondContact O-N 3.42Å; L251-V255 PolarHBondContact O-N 2.72Å; L251-V255 VanDerWaalsContact O-N 3.08Å; L251-Y297 HydrophobicContact CB-CD1 4Å; L251-Y297 HydrophobicContact CB-CD2 3.75Å; L251-Y297 HydrophobicContact CB-CE1 4.05Å; L251-Y297 HydrophobicContact CB-CE2 3.83Å; L251-Y297 HydrophobicContact CB-CG 3.85Å; L251-Y297 HydrophobicContact CD1-CD2 3.58Å; L251-Y297 HydrophobicContact CD1-CE2 4.38Å; L251-Y297 HydrophobicContact CD1-CG 3.73Å; L251-Y297 HydrophobicContact CG-CD2 4.31Å; L251-Y297 HydrophobicContact CG-CG 4.41Å; L251-T301 HydrophobicContact CB-CG2 4.33Å; L251-T301 HydrophobicContact CD2-CG2 4.22Å; L251-A305 HydrophobicContact CD2-CB 3.77Å
252P95.7Very high96.6Very high65 Ų6542 Ų4242%0.42227%0.271SS..Hα-helixtrans-60.6-39.4176-2031000112.5V255 A256 Y297P252-V255 PolarHBondContact O-N 3.28Å; P252-A256 VanDerWaalsContact O-CB 3.3Å; P252-A256 WeakPolarHBondContact O-CB 3.35Å; P252-A256 PolarHBondContact O-N 2.84Å; P252-Y297 WeakPolarHBondContact CA-OH 3.32Å; P252-Y297 HydrophobicContact CG-CE2 4.42Å; P252-Y297 WeakPolarHBondContact CG-OH 3.46Å
253G97.4Very high96.7Very high45 Ų4543 Ų4346%0.46428%0.277SS..Hα-helixtrans-66.9-38.7178.200000112.7M250 L251 D257M250-G253 WeakPolarHBondContact O-CA 3.43Å; M250-G253 PolarHBondContact O-N 3.47Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 2.93Å; G253-D257 VanDerWaalsContact O-CB 3.25Å; G253-D257 WeakPolarHBondContact O-CB 3.41Å; G253-D257 PolarHBondContact O-N 3.23Å
254I98Very high96.8Very high2 Ų243.2 Ų43.21%0.0128%0.278CS..Hα-helixtrans-61.5-51.4174-65.8-61.7000110.6M250 L251 A256 D257 L258 T301 I304 A305 K308 Y343M250-I254 WeakPolarHBondContact O-CG1 3.5Å; M250-I254 PolarHBondContact O-N 3.05Å; L251-I254 PolarHBondContact O-N 3.42Å; I254-A256 PolarHBondContact O-N 2.91Å; I254-D257 PolarHBondContact O-N 2.86Å; I254-L258 HydrophobicContact CG2-CD1 3.83Å; I254-L258 HydrophobicContact CG2-CG 4.38Å; I254-L258 WeakPolarHBondContact O-CB 3.49Å; I254-L258 VanDerWaalsContact O-CG 3.29Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 2.7Å; I254-T301 HydrophobicContact CG2-CG2 4.4Å; I254-I304 HydrophobicContact CD1-CG2 4.43Å; I254-I304 HydrophobicContact CG2-CB 4.38Å; I254-I304 HydrophobicContact CG2-CG2 3.67Å; I254-A305 HydrophobicContact CG1-CB 4.01Å; I254-K308 HydrophobicContact CD1-CD 3.64Å; I254-Y343 HydrophobicContact CD1-CD2 4.48Å; I254-Y343 HydrophobicContact CD1-CE2 3.86Å; I254-Y343 HydrophobicContact CG2-CE2 4.41Å
255V97.6Very high96.8Very high6 Ų645.6 Ų45.64%0.03629%0.293CS..Hα-helixtrans-62.8-43.5-178.9174.90000111.4L251 P252 L258 K259 T271 I290 Q291 Y297 T301L251-V255 PolarHBondContact O-N 2.72Å; L251-V255 VanDerWaalsContact O-N 3.08Å; P252-V255 PolarHBondContact O-N 3.28Å; V255-L258 PolarHBondContact O-N 3.14Å; V255-K259 HydrophobicContact CG1-CD 4.41Å; V255-K259 WeakPolarHBondContact O-CG 3.41Å; V255-K259 PolarHBondContact O-N 2.94Å; V255-K259 VanDerWaalsContact O-N 3.08Å; V255-T271 HydrophobicContact CG1-CG2 4.17Å; V255-I290 HydrophobicContact CG1-CD1 4.45Å; V255-I290 HydrophobicContact CG2-CD1 4.13Å; V255-I290 HydrophobicContact CG2-CG1 4.38Å; V255-Q291 HydrophobicContact CG2-CB 4.49Å; V255-Y297 HydrophobicContact CG2-CD1 4.11Å; V255-Y297 HydrophobicContact CG2-CE1 3.72Å; V255-T301 HydrophobicContact CG2-CG2 3.91Å
256A97.8Very high96.9Very high59 Ų5949.7 Ų49.749%0.48831%0.31SS..Hα-helixtrans-61.8-44.5177.700000112.3P252 I254 K259 A260P252-A256 VanDerWaalsContact O-CB 3.3Å; P252-A256 WeakPolarHBondContact O-CB 3.35Å; P252-A256 PolarHBondContact O-N 2.84Å; I254-A256 PolarHBondContact O-N 2.91Å; A256-K259 PolarHBondContact O-N 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.39Å; A256-A260 PolarHBondContact O-N 2.83Å
257D98.3Very high96.9Very high50 Ų5048.2 Ų48.227%0.26731%0.305SS..Hα-helixtrans-67.6-40.3179.4-17970.2000112.3G253 I254 K259 A260 K261 Y343G253-D257 VanDerWaalsContact O-CB 3.25Å; G253-D257 WeakPolarHBondContact O-CB 3.41Å; G253-D257 PolarHBondContact O-N 3.23Å; I254-D257 PolarHBondContact O-N 2.86Å; D257-K259 VanDerWaalsContact C-N 3.35Å; D257-K259 PolarHBondContact O-N 3.32Å; D257-A260 PolarHBondContact O-N 3.43Å; D257-K261 WeakPolarHBondContact O-CB 3.44Å; D257-K261 WeakPolarHBondContact O-CG 3.47Å; D257-K261 PolarHBondContact O-N 2.8Å; D257-K261 WeakPolarHBondContact OD1-CE 3.24Å; D257-K261 IonicContact OD1-NZ 3.26Å; D257-K261 VanDerWaalsContact OD2-CE 3.24Å; D257-K261 WeakPolarHBondContact OD2-CE 3.47Å; D257-K261 IonicContact OD2-NZ 2.72Å; D257-K261 PolarHBondContact OD2-NZ 3.24Å; D257-Y343 WeakPolarHBondContact OD2-CE1 3.3Å; D257-Y343 PolarHBondContact OD2-OH 3.33Å
258L98.4Very high96.7Very high0 Ų056 Ų560%034%0.342CS..Hα-helixtrans-63.1-38.5175.1-70.1174.5000112.4I254 V255 G262 L263 A264 I290 I337 A341 Y343I254-L258 HydrophobicContact CG2-CD1 3.83Å; I254-L258 HydrophobicContact CG2-CG 4.38Å; I254-L258 WeakPolarHBondContact O-CB 3.49Å; I254-L258 VanDerWaalsContact O-CG 3.29Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 2.7Å; V255-L258 PolarHBondContact O-N 3.14Å; L258-G262 PolarHBondContact O-N 2.97Å; L258-L263 HydrophobicContact CD2-CB 4.33Å; L258-L263 HydrophobicContact CD2-CD1 3.97Å; L258-L263 PolarHBondContact O-N 2.83Å; L258-A264 HydrophobicContact CB-CB 3.83Å; L258-A264 PolarHBondContact O-N 2.71Å; L258-A264 VanDerWaalsContact O-N 3.1Å; L258-I290 HydrophobicContact CB-CD1 4.31Å; L258-I290 HydrophobicContact CD1-CD1 3.55Å; L258-I337 HydrophobicContact CD1-CG2 3.93Å; L258-I337 HydrophobicContact CD2-CG2 3.86Å; L258-A341 HydrophobicContact CD2-CB 3.6Å; L258-Y343 HydrophobicContact CD2-CE2 4.23Å
259K97.9Very high96.7Very high75 Ų7556.7 Ų56.733%0.32636%0.357SS..Hα-helixtrans-65.8-44.8172.1-71.9-179.1-172.4-176.60111.4V255 A256 D257 K261 G262 A264 E266 T271V255-K259 HydrophobicContact CG1-CD 4.41Å; V255-K259 WeakPolarHBondContact O-CG 3.41Å; V255-K259 PolarHBondContact O-N 2.94Å; V255-K259 VanDerWaalsContact O-N 3.08Å; A256-K259 PolarHBondContact O-N 3.32Å; D257-K259 VanDerWaalsContact C-N 3.35Å; D257-K259 PolarHBondContact O-N 3.32Å; K259-K261 VanDerWaalsContact C-N 3.27Å; K259-K261 PolarHBondContact O-N 3.33Å; K259-G262 PolarHBondContact O-N 2.86Å; K259-A264 HydrophobicContact CG-CB 4.1Å; K259-E266 WeakPolarHBondContact CE-OE1 3.46Å; K259-E266 IonicContact NZ-OE1 2.74Å; K259-E266 PolarHBondContact NZ-OE1 2.9Å; K259-T271 HydrophobicContact CD-CG2 4.44Å; K259-T271 WeakPolarHBondContact CE-OG1 3.46Å; K259-T271 HydrophobicContact CG-CG2 4.29Å; K259-T271 PolarHBondContact NZ-OG1 2.72Å
260A97.9Very high96.7Very high86 Ų8651.9 Ų51.971%0.71133%0.327SS*.Hα-helixtrans-62.4-33.9179.900000112.8A256 D257 G262A256-A260 WeakPolarHBondContact O-CB 3.39Å; A256-A260 PolarHBondContact O-N 2.83Å; D257-A260 PolarHBondContact O-N 3.43Å; A260-G262 PolarHBondContact O-N 2.86Å
261K97.9Very high96.7Very high97 Ų9749.7 Ų49.742%0.42232%0.316SS..THydrogen-bonded Turntrans-78.3-3.2173.9-71.6172.3177.5165.90114D257 K259 L263 A341D257-K261 WeakPolarHBondContact O-CB 3.44Å; D257-K261 WeakPolarHBondContact O-CG 3.47Å; D257-K261 PolarHBondContact O-N 2.8Å; D257-K261 WeakPolarHBondContact OD1-CE 3.24Å; D257-K261 IonicContact OD1-NZ 3.26Å; D257-K261 VanDerWaalsContact OD2-CE 3.24Å; D257-K261 WeakPolarHBondContact OD2-CE 3.47Å; D257-K261 IonicContact OD2-NZ 2.72Å; D257-K261 PolarHBondContact OD2-NZ 3.24Å; K259-K261 VanDerWaalsContact C-N 3.27Å; K259-K261 PolarHBondContact O-N 3.33Å; K261-L263 HydrophobicContact CB-CD1 4.11Å; K261-L263 HydrophobicContact CB-CG 4.05Å; K261-L263 HydrophobicContact CD-CD1 4.42Å; K261-L263 PolarHBondContact O-N 3.35Å; K261-A341 PolarHBondContact NZ-O 3.49Å
262G97.2Very high96.8Very high58 Ų5850.1 Ų50.160%0.59832%0.319SS*.THydrogen-bonded Turntrans69.116.5-176.200000114.2L258 K259 A260L258-G262 PolarHBondContact O-N 2.97Å; K259-G262 PolarHBondContact O-N 2.86Å; A260-G262 PolarHBondContact O-N 2.86Å
263L97.6Very high96.9Very high45 Ų4547.1 Ų47.124%0.23630%0.299CS..  trans-85.4-33.5178.5-64.8174.6000111.9L258 K261 V273 K340 A341L258-L263 HydrophobicContact CD2-CB 4.33Å; L258-L263 HydrophobicContact CD2-CD1 3.97Å; L258-L263 PolarHBondContact O-N 2.83Å; K261-L263 HydrophobicContact CB-CD1 4.11Å; K261-L263 HydrophobicContact CB-CG 4.05Å; K261-L263 HydrophobicContact CD-CD1 4.42Å; K261-L263 PolarHBondContact O-N 3.35Å; L263-V273 WeakPolarHBondContact O-CG1 3.35Å; L263-K340 HydrophobicContact CD1-CB 4.2Å; L263-K340 HydrophobicContact CD2-CB 4.15Å; L263-A341 HydrophobicContact CD1-CB 3.96Å
264A97.9Very high96.9Very high6 Ų649.4 Ų49.45%0.0530%0.297CS..EExtended strand (participates in β ladder)trans-107.2137.117700000111.3L258 K259 T271 V272 V273 I290L258-A264 HydrophobicContact CB-CB 3.83Å; L258-A264 PolarHBondContact O-N 2.71Å; L258-A264 VanDerWaalsContact O-N 3.1Å; K259-A264 HydrophobicContact CG-CB 4.1Å; A264-T271 HydrophobicContact CB-CG2 3.73Å; A264-V272 WeakPolarHBondContact CA-O 3.45Å; A264-V273 HydrophobicContact CB-CG2 3.81Å; A264-I290 HydrophobicContact CB-CD1 3.84Å
265V97.1Very high96.8Very high67 Ų6749.3 Ų49.341%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-126.7157.1179-620000110.7T271 V272 F274V265-T271 WeakPolarHBondContact O-CA 3.3Å; V265-V272 PolarHBondContact N-O 3.4Å; V265-V272 PolarHBondContact O-N 2.81Å; V265-F274 HydrophobicContact CG2-CD2 3.86Å; V265-F274 HydrophobicContact CG2-CE2 3.65Å
266E96.6Very high96.6Very high112 Ų11253.7 Ų53.752%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-75.4124.8167.1-64.4-60.1154.400109.2K259 A270 T271K259-E266 WeakPolarHBondContact CE-OE1 3.46Å; K259-E266 IonicContact NZ-OE1 2.74Å; K259-E266 PolarHBondContact NZ-OE1 2.9Å; E266-A270 WeakPolarHBondContact CA-O 3.11Å; E266-T271 PolarHBondContact OE1-OG1 3.43Å; E266-T271 VanDerWaalsContact OE1-OG1 3.12Å
267S94.9Very high96.4Very high41 Ų4156.4 Ų56.429%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-138123.6174.8-173.20000109.3G269 A270S267-G269 PolarHBondContact O-N 3.12Å; S267-A270 PolarHBondContact N-O 2.99Å; S267-A270 PolarHBondContact O-N 2.87Å; S267-A270 VanDerWaalsContact O-O 3.11Å
268E92.4Very high96.2Very high165 Ų16556.3 Ų56.377%0.77132%0.319SS*.THydrogen-bonded Turntrans49.230.2-172.2-58.4-174.6-177.600113.3A270 K293E268-A270 VanDerWaalsContact C-N 3.3Å; E268-A270 PolarHBondContact O-N 2.91Å; E268-K293 WeakPolarHBondContact O-CE 3.38Å; E268-K293 PolarHBondContact O-NZ 3.1Å
269G92.2Very high95.8Very high49 Ų4961.7 Ų61.751%0.50534%0.343SS..THydrogen-bonded Turntrans79.32.7-178.500000115.7S267 K293S267-G269 PolarHBondContact O-N 3.12Å; G269-K293 VanDerWaalsContact O-CA 3.3Å; G269-K293 WeakPolarHBondContact O-CA 3.03Å; G269-K293 WeakPolarHBondContact O-CG 3.25Å
270A95.5Very high95.4Very high12 Ų1260.6 Ų60.610%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-102.9157166.200000109.9E266 S267 E268 V272 I289 Q291 K293E266-A270 WeakPolarHBondContact CA-O 3.11Å; S267-A270 PolarHBondContact N-O 2.99Å; S267-A270 PolarHBondContact O-N 2.87Å; S267-A270 VanDerWaalsContact O-O 3.11Å; E268-A270 VanDerWaalsContact C-N 3.3Å; E268-A270 PolarHBondContact O-N 2.91Å; A270-V272 HydrophobicContact CB-CG2 4.32Å; A270-I289 HydrophobicContact CB-CG2 4.1Å; A270-Q291 WeakPolarHBondContact CA-O 3.45Å; A270-Q291 WeakPolarHBondContact CB-O 3.31Å; A270-K293 HydrophobicContact CB-CG 4.45Å
271T97.3Very high94.9Very high2 Ų267 Ų671%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-89.4122.1170.6-55.90000110.1V255 K259 A264 V265 E266 I290 Q291V255-T271 HydrophobicContact CG1-CG2 4.17Å; K259-T271 HydrophobicContact CD-CG2 4.44Å; K259-T271 WeakPolarHBondContact CE-OG1 3.46Å; K259-T271 HydrophobicContact CG-CG2 4.29Å; K259-T271 PolarHBondContact NZ-OG1 2.72Å; A264-T271 HydrophobicContact CB-CG2 3.73Å; V265-T271 WeakPolarHBondContact O-CA 3.3Å; E266-T271 PolarHBondContact OE1-OG1 3.43Å; E266-T271 VanDerWaalsContact OE1-OG1 3.12Å; T271-I290 HydrophobicContact CG2-CD1 3.84Å; T271-I290 HydrophobicContact CG2-CG1 3.74Å; T271-I290 WeakPolarHBondContact O-CG1 3.44Å; T271-I290 PolarHBondContact O-N 3.43Å; T271-Q291 PolarHBondContact N-O 3.32Å; T271-Q291 PolarHBondContact O-N 3.43Å
272V97.7Very high94.6Very high10 Ų1069.7 Ų69.76%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-129.5139.7-170.7-173.40000110.6A264 V265 A270 F274 V288 I289A264-V272 WeakPolarHBondContact CA-O 3.45Å; V265-V272 PolarHBondContact N-O 3.4Å; V265-V272 PolarHBondContact O-N 2.81Å; A270-V272 HydrophobicContact CB-CG2 4.32Å; V272-F274 HydrophobicContact CB-CE2 4.24Å; V272-F274 HydrophobicContact CG1-CD2 4.34Å; V272-F274 HydrophobicContact CG1-CE1 4.38Å; V272-F274 HydrophobicContact CG1-CE2 3.98Å; V272-F274 HydrophobicContact CG1-CZ 4.01Å; V272-V288 WeakPolarHBondContact CA-O 3.2Å; V272-I289 HydrophobicContact CG2-CG1 4.19Å
273V97.9Very high94.3Very high2 Ų269.1 Ų69.11%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-105.5124.7167.3179.90000108.5L263 A264 L275 V288 I290 I337L263-V273 WeakPolarHBondContact O-CG1 3.35Å; A264-V273 HydrophobicContact CB-CG2 3.81Å; V273-L275 HydrophobicContact CG1-CD2 3.95Å; V273-V288 PolarHBondContact N-O 3.08Å; V273-V288 PolarHBondContact O-N 2.72Å; V273-I290 HydrophobicContact CG2-CD1 4.09Å; V273-I290 HydrophobicContact CG2-CG2 4.25Å; V273-I337 HydrophobicContact CB-CD1 3.96Å; V273-I337 HydrophobicContact CB-CG1 4.2Å; V273-I337 HydrophobicContact CG1-CD1 4.18Å; V273-I337 HydrophobicContact CG1-CG1 3.86Å; V273-I337 HydrophobicContact CG2-CD1 4.24Å; V273-I337 HydrophobicContact CG2-CG2 4.43Å
274F97.1Very high94Very high94 Ų9472.1 Ų72.141%0.41237%0.373SS..EExtended strand (participates in β ladder)trans-92.7126.4175.9-70.1-85.1000110V265 V272 P285V265-F274 HydrophobicContact CG2-CD2 3.86Å; V265-F274 HydrophobicContact CG2-CE2 3.65Å; V272-F274 HydrophobicContact CB-CE2 4.24Å; V272-F274 HydrophobicContact CG1-CD2 4.34Å; V272-F274 HydrophobicContact CG1-CE1 4.38Å; V272-F274 HydrophobicContact CG1-CE2 3.98Å; V272-F274 HydrophobicContact CG1-CZ 4.01Å; F274-P285 HydrophobicContact CB-CB 4.19Å
275L96.5Very high93.8Very high0 Ų074 Ų740%039%0.385CS..EExtended strand (participates in β ladder)trans-110.4116.4-179-59.2176.6000110.1V273 E277 F278 M286 V288 Q333 A336 I337 K340V273-L275 HydrophobicContact CG1-CD2 3.95Å; L275-E277 VanDerWaalsContact C-N 3.27Å; L275-E277 PolarHBondContact O-N 2.91Å; L275-F278 HydrophobicContact CB-CD2 3.8Å; L275-F278 HydrophobicContact CD1-CD2 3.83Å; L275-F278 HydrophobicContact CD1-CE2 4.04Å; L275-F278 HydrophobicContact CG-CD2 4.48Å; L275-F278 PolarHBondContact O-N 2.93Å; L275-M286 PolarHBondContact N-O 3.49Å; L275-M286 PolarHBondContact O-N 3Å; L275-M286 VanDerWaalsContact O-N 3.16Å; L275-V288 HydrophobicContact CD1-CG2 3.75Å; L275-V288 HydrophobicContact CG-CG2 4.25Å; L275-Q333 HydrophobicContact CD1-CB 4Å; L275-Q333 HydrophobicContact CD1-CG 4.15Å; L275-A336 HydrophobicContact CD1-CB 4.07Å; L275-A336 HydrophobicContact CD2-CB 4.24Å; L275-I337 HydrophobicContact CD1-CG1 4.23Å; L275-I337 HydrophobicContact CD2-CG1 3.92Å; L275-I337 HydrophobicContact CG-CG1 4.46Å; L275-K340 HydrophobicContact CD2-CD 3.94Å
276D93.4Very high93.6Very high97 Ų9772.4 Ų72.452%0.51937%0.373SS..EExtended strand (participates in β ladder)trans-68.6-28.6-178.5-69.7-48.9000113F278 K279 P285D276-F278 PolarHBondContact O-N 3.43Å; D276-K279 VanDerWaalsContact O-CE 3.3Å; D276-K279 WeakPolarHBondContact O-CE 3.31Å; D276-K279 PolarHBondContact O-NZ 2.81Å; D276-P285 WeakPolarHBondContact OD1-CG 3.49Å
277E92.6Very high93.6Very high117 Ų11768.8 Ų68.855%0.54737%0.366SS..EExtended strand (participates in β ladder)trans-70.2-17.4-178.8-58.181.2-176.700112.7L275 K340L275-E277 VanDerWaalsContact C-N 3.27Å; L275-E277 PolarHBondContact O-N 2.91Å; E277-K340 WeakPolarHBondContact OE1-CE 3.33Å; E277-K340 IonicContact OE1-NZ 2.63Å; E277-K340 PolarHBondContact OE1-NZ 3.43Å; E277-K340 WeakPolarHBondContact OE2-CE 3.4Å; E277-K340 IonicContact OE2-NZ 3.75Å; E277-K340 PolarHBondContact OE2-NZ 3.21Å
278F93.6Very high93.7Very high47 Ų4767.1 Ų67.121%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-117.6133.9177.5-59.2-91.8000109.3L275 D276 M286 M332 Q333 A336L275-F278 HydrophobicContact CB-CD2 3.8Å; L275-F278 HydrophobicContact CD1-CD2 3.83Å; L275-F278 HydrophobicContact CD1-CE2 4.04Å; L275-F278 HydrophobicContact CG-CD2 4.48Å; L275-F278 PolarHBondContact O-N 2.93Å; D276-F278 PolarHBondContact O-N 3.43Å; F278-M286 HydrophobicContact CB-CB 3.67Å; F278-M286 HydrophobicContact CB-CG 4.43Å; F278-M286 HydrophobicContact CB-SD 3.97Å; F278-M286 WeakPolarHBondContact O-CB 3.38Å; F278-M286 PolarHBondContact O-N 3.45Å; F278-M332 HydrophobicContact CE1-CB 3.99Å; F278-M332 HydrophobicContact CZ-CB 3.71Å; F278-Q333 HydrophobicContact CD1-CG 4.27Å; F278-Q333 HydrophobicContact CD2-CG 4.34Å; F278-Q333 HydrophobicContact CE1-CG 4.27Å; F278-Q333 HydrophobicContact CE2-CG 4.35Å; F278-Q333 HydrophobicContact CG-CG 4.31Å; F278-Q333 HydrophobicContact CZ-CG 4.32Å; F278-A336 HydrophobicContact CE2-CB 3.98Å
279K90.3Very high93.9Very high113 Ų11362.9 Ų62.949%0.49134%0.336SS..EExtended strand (participates in β ladder)trans-109.3135.2-179.9-58.9-50.2-168.9-166.50111.5D276 G283 E284 M286D276-K279 VanDerWaalsContact O-CE 3.3Å; D276-K279 WeakPolarHBondContact O-CE 3.31Å; D276-K279 PolarHBondContact O-NZ 2.81Å; K279-G283 WeakPolarHBondContact CD-O 3.48Å; K279-E284 WeakPolarHBondContact CA-O 3.23Å; K279-M286 WeakPolarHBondContact O-CE 3.28Å
280N89.5Confident94.1Very high52 Ų5260.6 Ų60.628%0.27831%0.312SS..  trans-72.5-178.5168.973.67.7000110.5E282 G283 E284N280-E282 PolarHBondContact O-N 3.17Å; N280-E282 VanDerWaalsContact O-N 3.13Å; N280-E282 WeakPolarHBondContact OD1-CA 3.28Å; N280-E282 WeakPolarHBondContact OD1-CB 3.42Å; N280-E282 PolarHBondContact OD1-N 2.9Å; N280-G283 PolarHBondContact O-N 3.36Å; N280-G283 VanDerWaalsContact O-N 3.14Å; N280-G283 PolarHBondContact OD1-N 3.42Å; N280-E284 PolarHBondContact N-O 3.25Å; N280-E284 PolarHBondContact OD1-N 3.35Å; N280-E284 PolarHBondContact OD1-O 3.05Å
281K88.7Confident94Very high220 Ų22061.6 Ų61.696%0.95732%0.315SS*.THydrogen-bonded Turntrans-62.3-18.4179.3-67.6-178-179.9176.50113.9
282E89.9Confident93.8Very high155 Ų15566 Ų6672%0.72433%0.334SS*.THydrogen-bonded Turntrans-97.4-2.3-178.3-66167.5-165.900112.4N280 E284N280-E282 PolarHBondContact O-N 3.17Å; N280-E282 VanDerWaalsContact O-N 3.13Å; N280-E282 WeakPolarHBondContact OD1-CA 3.28Å; N280-E282 WeakPolarHBondContact OD1-CB 3.42Å; N280-E282 PolarHBondContact OD1-N 2.9Å; E282-E284 VanDerWaalsContact C-N 3.34Å; E282-E284 HydrophobicContact CB-CG 4.36Å
283G90.8Very high93.5Very high46 Ų4672.7 Ų72.747%0.47436%0.362SS..SBendtrans85.24.6-179.100000114.5K279 N280K279-G283 WeakPolarHBondContact CD-O 3.48Å; N280-G283 PolarHBondContact O-N 3.36Å; N280-G283 VanDerWaalsContact O-N 3.14Å; N280-G283 PolarHBondContact OD1-N 3.42Å
284E91.7Very high92.8Very high108 Ų10878.7 Ų78.751%0.50539%0.394SS..SBendtrans-86.4160.3178.8-54.7-174.8142.600111.5K279 N280 E282 M286K279-E284 WeakPolarHBondContact CA-O 3.23Å; N280-E284 PolarHBondContact N-O 3.25Å; N280-E284 PolarHBondContact OD1-N 3.35Å; N280-E284 PolarHBondContact OD1-O 3.05Å; E282-E284 VanDerWaalsContact C-N 3.34Å; E282-E284 HydrophobicContact CB-CG 4.36Å; E284-M286 PolarHBondContact O-N 2.9Å
285P93.3Very high92.3Very high44 Ų4475.7 Ų75.729%0.28639%0.39SS..EExtended strand (participates in β ladder)trans-51.7133.4173.3-26.136.5000111.7F274 D276 G287F274-P285 HydrophobicContact CB-CB 4.19Å; D276-P285 WeakPolarHBondContact OD1-CG 3.49Å; P285-G287 PolarHBondContact O-N 3.2Å
286M94.6Very high91.8Very high34 Ų3476.7 Ų76.717%0.16740%0.4CS..EExtended strand (participates in β ladder)trans-73.7121.3-177.8-172.1168-78.800110.5L275 F278 K279 E284 Q329 Q333L275-M286 PolarHBondContact N-O 3.49Å; L275-M286 PolarHBondContact O-N 3Å; L275-M286 VanDerWaalsContact O-N 3.16Å; F278-M286 HydrophobicContact CB-CB 3.67Å; F278-M286 HydrophobicContact CB-CG 4.43Å; F278-M286 HydrophobicContact CB-SD 3.97Å; F278-M286 WeakPolarHBondContact O-CB 3.38Å; F278-M286 PolarHBondContact O-N 3.45Å; K279-M286 WeakPolarHBondContact O-CE 3.28Å; E284-M286 PolarHBondContact O-N 2.9Å; M286-Q329 PolarHBondContact SD-NE2 3.16Å; M286-Q333 PolarHBondContact SD-NE2 2.79Å
287G95.4Very high91.6Very high36 Ų3675.9 Ų75.937%0.37139%0.391SS..EExtended strand (participates in β ladder)trans-78.9122173.300000111.7P285P285-G287 PolarHBondContact O-N 3.2Å
288V96.6Very high91.6Very high7 Ų772.6 Ų72.64%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-109.3113.9177.3-177.10000108.9V272 V273 L275 I290 T300 Q333 I337V272-V288 WeakPolarHBondContact CA-O 3.2Å; V273-V288 PolarHBondContact N-O 3.08Å; V273-V288 PolarHBondContact O-N 2.72Å; L275-V288 HydrophobicContact CD1-CG2 3.75Å; L275-V288 HydrophobicContact CG-CG2 4.25Å; V288-I290 PolarHBondContact O-N 2.94Å; V288-T300 HydrophobicContact CG1-CG2 3.66Å; V288-Q333 HydrophobicContact CG2-CB 4.1Å; V288-Q333 HydrophobicContact CG2-CG 4.14Å; V288-I337 HydrophobicContact CB-CD1 4.1Å; V288-I337 HydrophobicContact CG1-CD1 3.86Å
289I96.6Very high91.5Very high76 Ų7676.3 Ų76.339%0.3939%0.39SS..EExtended strand (participates in β ladder)trans-77.3124-177.7-52176.8000109.3A270 V272 Q291 L298A270-I289 HydrophobicContact CB-CG2 4.1Å; V272-I289 HydrophobicContact CG2-CG1 4.19Å; I289-Q291 WeakPolarHBondContact CG2-O 3.27Å; I289-L298 HydrophobicContact CB-CD1 4.32Å; I289-L298 HydrophobicContact CG2-CD1 3.72Å
290I96.4Very high91.7Very high0 Ų071.6 Ų71.60%037%0.37CS..EExtended strand (participates in β ladder)trans-110.6-13.1176.265.2169.4000112.9V255 L258 A264 T271 V273 V288 T301 I304 I337V255-I290 HydrophobicContact CG1-CD1 4.45Å; V255-I290 HydrophobicContact CG2-CD1 4.13Å; V255-I290 HydrophobicContact CG2-CG1 4.38Å; L258-I290 HydrophobicContact CB-CD1 4.31Å; L258-I290 HydrophobicContact CD1-CD1 3.55Å; A264-I290 HydrophobicContact CB-CD1 3.84Å; T271-I290 HydrophobicContact CG2-CD1 3.84Å; T271-I290 HydrophobicContact CG2-CG1 3.74Å; T271-I290 WeakPolarHBondContact O-CG1 3.44Å; T271-I290 PolarHBondContact O-N 3.43Å; V273-I290 HydrophobicContact CG2-CD1 4.09Å; V273-I290 HydrophobicContact CG2-CG2 4.25Å; V288-I290 PolarHBondContact O-N 2.94Å; I290-T301 VanDerWaalsContact C-OG1 3.31Å; I290-T301 WeakPolarHBondContact CA-OG1 2.99Å; I290-T301 PolarHBondContact O-OG1 2.76Å; I290-I304 HydrophobicContact CG2-CD1 4.16Å; I290-I337 HydrophobicContact CG2-CD1 4.36Å
291Q95.2Very high92Very high33 Ų3369.1 Ų69.115%0.15436%0.357CS..EExtended strand (participates in β ladder)trans-150.7129.8171.1-165.7176.132.800109.2V255 A270 T271 I289 G295 Y297V255-Q291 HydrophobicContact CG2-CB 4.49Å; A270-Q291 WeakPolarHBondContact CA-O 3.45Å; A270-Q291 WeakPolarHBondContact CB-O 3.31Å; T271-Q291 PolarHBondContact N-O 3.32Å; T271-Q291 PolarHBondContact O-N 3.43Å; I289-Q291 WeakPolarHBondContact CG2-O 3.27Å; Q291-G295 WeakPolarHBondContact CG-O 3.31Å; Q291-G295 PolarHBondContact NE2-O 3.38Å; Q291-Y297 HydrophobicContact CG-CD1 4.27Å; Q291-Y297 HydrophobicContact CG-CE1 4.17Å
292K92.2Very high92.4Very high94 Ų9458.9 Ų58.941%0.40931%0.313SS..  trans-73.2167.2176.7-65-176.3-173.3175.10111.3D294 G295 G296 L298K292-D294 WeakPolarHBondContact CB-OD1 3.38Å; K292-D294 PolarHBondContact O-N 2.99Å; K292-G295 PolarHBondContact O-N 3.32Å; K292-G296 PolarHBondContact N-O 2.95Å; K292-L298 HydrophobicContact CG-CD1 3.77Å; K292-L298 HydrophobicContact CG-CD2 4.39Å; K292-L298 HydrophobicContact CG-CG 4.14Å
293K90.5Very high92.7Very high151 Ų15152.6 Ų52.666%0.65729%0.285SS*.THydrogen-bonded Turntrans-54.2-34.1174.6-69.5169.6168.1170.30114.3E268 G269 A270 G295E268-K293 WeakPolarHBondContact O-CE 3.38Å; E268-K293 PolarHBondContact O-NZ 3.1Å; G269-K293 VanDerWaalsContact O-CA 3.3Å; G269-K293 WeakPolarHBondContact O-CA 3.03Å; G269-K293 WeakPolarHBondContact O-CG 3.25Å; A270-K293 HydrophobicContact CB-CG 4.45Å; K293-G295 PolarHBondContact O-N 3.44Å
294D84.7Confident93.1Very high128 Ų12850.4 Ų50.468%0.68426%0.262SS*.THydrogen-bonded Turntrans-83.34.2179.259.87.5000113.1K292 G296K292-D294 WeakPolarHBondContact CB-OD1 3.38Å; K292-D294 PolarHBondContact O-N 2.99Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.19Å; D294-G296 PolarHBondContact OD1-N 3.02Å
295G85Confident93.4Very high32 Ų3245.3 Ų45.333%0.3324%0.238SC..SBendtrans84.5-5.7-176.700000114.3Q291 K292 K293Q291-G295 WeakPolarHBondContact CG-O 3.31Å; Q291-G295 PolarHBondContact NE2-O 3.38Å; K292-G295 PolarHBondContact O-N 3.32Å; K293-G295 PolarHBondContact O-N 3.44Å
296G86.4Confident93.7Very high21 Ų2143.2 Ų43.222%0.21623%0.225CC..  trans-67.3139.8-179.800000113K292 D294K292-G296 PolarHBondContact N-O 2.95Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.19Å; D294-G296 PolarHBondContact OD1-N 3.02Å
297Y90.5Very high93.8Very high80 Ų8041.6 Ų41.631%0.31422%0.217SC..BIsolated β-bridgetrans-84.6158.6175.5-56.5-67.1000111.7L251 P252 V255 Q291 T301L251-Y297 HydrophobicContact CB-CD1 4Å; L251-Y297 HydrophobicContact CB-CD2 3.75Å; L251-Y297 HydrophobicContact CB-CE1 4.05Å; L251-Y297 HydrophobicContact CB-CE2 3.83Å; L251-Y297 HydrophobicContact CB-CG 3.85Å; L251-Y297 HydrophobicContact CD1-CD2 3.58Å; L251-Y297 HydrophobicContact CD1-CE2 4.38Å; L251-Y297 HydrophobicContact CD1-CG 3.73Å; L251-Y297 HydrophobicContact CG-CD2 4.31Å; L251-Y297 HydrophobicContact CG-CG 4.41Å; P252-Y297 WeakPolarHBondContact CA-OH 3.32Å; P252-Y297 HydrophobicContact CG-CE2 4.42Å; P252-Y297 WeakPolarHBondContact CG-OH 3.46Å; V255-Y297 HydrophobicContact CG2-CD1 4.11Å; V255-Y297 HydrophobicContact CG2-CE1 3.72Å; Q291-Y297 HydrophobicContact CG-CD1 4.27Å; Q291-Y297 HydrophobicContact CG-CE1 4.17Å; Y297-T301 HydrophobicContact CD1-CG2 3.96Å
298L90.8Very high94Very high47 Ų4742 Ų4225%0.24621%0.208CC..  trans-116.6168.1178-58.995.7000110.3I289 K292 T300 T301 T302I289-L298 HydrophobicContact CB-CD1 4.32Å; I289-L298 HydrophobicContact CG2-CD1 3.72Å; K292-L298 HydrophobicContact CG-CD1 3.77Å; K292-L298 HydrophobicContact CG-CD2 4.39Å; K292-L298 HydrophobicContact CG-CG 4.14Å; L298-T300 PolarHBondContact O-N 3.35Å; L298-T300 VanDerWaalsContact O-N 3.13Å; L298-T301 WeakPolarHBondContact O-CB 3.45Å; L298-T301 PolarHBondContact O-N 3.47Å; L298-T301 PolarHBondContact O-OG1 3.44Å; L298-T302 PolarHBondContact O-N 2.9Å
299Y91.9Very high94.1Very high126 Ų12644.1 Ų44.149%0.49422%0.216SC..Hα-helixtrans-48.8-40.1175.1-66.5-60.6000112.8E244 T301 T302 D303E244-Y299 WeakPolarHBondContact OE1-CE1 3.19Å; E244-Y299 WeakPolarHBondContact OE2-CE1 3.48Å; Y299-T301 VanDerWaalsContact C-N 3.28Å; Y299-T301 PolarHBondContact O-N 3.35Å; Y299-T302 CarbonylContact O-C 3.59Å; Y299-T302 WeakPolarHBondContact O-CB 3.13Å; Y299-T302 PolarHBondContact O-N 3.36Å; Y299-T302 VanDerWaalsContact O-N 3.11Å; Y299-D303 PolarHBondContact O-N 3.43Å
300T95Very high94.2Very high13 Ų1340.5 Ų40.58%0.0820%0.197CC..Hα-helixtrans-59-39.2179.3-48.70000112.5V288 L298 D303 I304 H330 A334 I337V288-T300 HydrophobicContact CG1-CG2 3.66Å; L298-T300 PolarHBondContact O-N 3.35Å; L298-T300 VanDerWaalsContact O-N 3.13Å; T300-D303 PolarHBondContact O-N 3.44Å; T300-I304 HydrophobicContact CG2-CD1 4.04Å; T300-I304 WeakPolarHBondContact O-CD1 3.43Å; T300-I304 WeakPolarHBondContact O-CG1 3.41Å; T300-I304 PolarHBondContact O-N 3.28Å; T300-H330 PolarHBondContact OG1-CE1 3.35Å; T300-H330 VanDerWaalsContact OG1-CE1 3.24Å; T300-A334 HydrophobicContact CG2-CB 4.15Å; T300-I337 HydrophobicContact CG2-CD1 4.37Å
301T96Very high94.3Very high0 Ų044.4 Ų44.40%021%0.213CC..Hα-helixtrans-69.1-39.9178.6-36.40000110.9L251 I254 V255 I290 Y297 L298 Y299 I304 A305L251-T301 HydrophobicContact CB-CG2 4.33Å; L251-T301 HydrophobicContact CD2-CG2 4.22Å; I254-T301 HydrophobicContact CG2-CG2 4.4Å; V255-T301 HydrophobicContact CG2-CG2 3.91Å; I290-T301 VanDerWaalsContact C-OG1 3.31Å; I290-T301 WeakPolarHBondContact CA-OG1 2.99Å; I290-T301 PolarHBondContact O-OG1 2.76Å; Y297-T301 HydrophobicContact CD1-CG2 3.96Å; L298-T301 WeakPolarHBondContact O-CB 3.45Å; L298-T301 PolarHBondContact O-N 3.47Å; L298-T301 PolarHBondContact O-OG1 3.44Å; Y299-T301 VanDerWaalsContact C-N 3.28Å; Y299-T301 PolarHBondContact O-N 3.35Å; T301-I304 PolarHBondContact O-N 2.9Å; T301-A305 WeakPolarHBondContact O-CB 3.35Å; T301-A305 PolarHBondContact O-N 3.48Å
302T96.6Very high94.4Very high6 Ų647.3 Ų47.34%0.03723%0.226CC..Hα-helixtrans-61-46.1172.9-54.40000110.9E244 Y247 L298 Y299 I304 A305 C306E244-T302 HydrophobicContact CB-CG2 3.95Å; E244-T302 HydrophobicContact CG-CG2 4.02Å; Y247-T302 HydrophobicContact CD2-CG2 3.85Å; Y247-T302 HydrophobicContact CG-CG2 4.45Å; L298-T302 PolarHBondContact O-N 2.9Å; Y299-T302 CarbonylContact O-C 3.59Å; Y299-T302 WeakPolarHBondContact O-CB 3.13Å; Y299-T302 PolarHBondContact O-N 3.36Å; Y299-T302 VanDerWaalsContact O-N 3.11Å; T302-I304 PolarHBondContact O-N 3.06Å; T302-A305 CarbonylContact O-C 3.59Å; T302-A305 WeakPolarHBondContact O-CB 3.48Å; T302-A305 PolarHBondContact O-N 3.31Å; T302-C306 VanDerWaalsContact O-CB 3.24Å; T302-C306 WeakPolarHBondContact O-CB 3.29Å; T302-C306 PolarHBondContact O-N 2.87Å
303D97.5Very high94.7Very high23 Ų2346.3 Ų46.312%0.12323%0.228CC..Hα-helixtrans-68-35.1-179.6-71.8-35.7000113.1H144 Y299 T300 C306 A307 H330 A334H144-D303 IonicContact NE2-OD1 3.15Å; Y299-D303 PolarHBondContact O-N 3.43Å; T300-D303 PolarHBondContact O-N 3.44Å; D303-C306 PolarHBondContact O-N 3.33Å; D303-A307 WeakPolarHBondContact O-CB 3.28Å; D303-A307 PolarHBondContact O-N 2.92Å; D303-H330 IonicContact OD2-CD2 2.72Å; D303-H330 IonicContact OD2-CE1 2.66Å; D303-H330 IonicContact OD2-NE2 3.13Å; D303-H330 PolarHBondContact OD2-NE2 3.01Å; D303-A334 HydrophobicContact CB-CB 4.18Å
304I98.4Very high95.1Very high0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-63.1-46.7171.7-68.2160.2000110.1I254 I290 T300 T301 T302 C306 K308 A334 I337 V338 Y343I254-I304 HydrophobicContact CD1-CG2 4.43Å; I254-I304 HydrophobicContact CG2-CB 4.38Å; I254-I304 HydrophobicContact CG2-CG2 3.67Å; I290-I304 HydrophobicContact CG2-CD1 4.16Å; T300-I304 HydrophobicContact CG2-CD1 4.04Å; T300-I304 WeakPolarHBondContact O-CD1 3.43Å; T300-I304 WeakPolarHBondContact O-CG1 3.41Å; T300-I304 PolarHBondContact O-N 3.28Å; T301-I304 PolarHBondContact O-N 2.9Å; T302-I304 PolarHBondContact O-N 3.06Å; I304-C306 VanDerWaalsContact C-N 3.32Å; I304-K308 PolarHBondContact O-N 3.03Å; I304-K308 VanDerWaalsContact O-N 3.11Å; I304-A334 HydrophobicContact CG1-CB 4.42Å; I304-I337 HydrophobicContact CD1-CB 3.98Å; I304-I337 HydrophobicContact CD1-CD1 3.95Å; I304-I337 HydrophobicContact CD1-CG2 3.64Å; I304-I337 HydrophobicContact CG1-CB 4.34Å; I304-I337 HydrophobicContact CG1-CG2 4.26Å; I304-V338 HydrophobicContact CB-CG2 4.25Å; I304-V338 HydrophobicContact CG1-CG2 4.18Å; I304-V338 HydrophobicContact CG2-CG2 4.06Å; I304-Y343 HydrophobicContact CG2-CD2 3.83Å; I304-Y343 HydrophobicContact CG2-CE2 3.69Å
305A98.4Very high95.7Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-63.6-40176.900000111.7M250 L251 I254 T301 T302 K308 Y309M250-A305 HydrophobicContact CB-CB 4.11Å; M250-A305 HydrophobicContact CE-CB 4.44Å; M250-A305 WeakPolarHBondContact CE-O 3.41Å; L251-A305 HydrophobicContact CD2-CB 3.77Å; I254-A305 HydrophobicContact CG1-CB 4.01Å; T301-A305 WeakPolarHBondContact O-CB 3.35Å; T301-A305 PolarHBondContact O-N 3.48Å; T302-A305 CarbonylContact O-C 3.59Å; T302-A305 WeakPolarHBondContact O-CB 3.48Å; T302-A305 PolarHBondContact O-N 3.31Å; A305-K308 PolarHBondContact O-N 2.73Å; A305-Y309 WeakPolarHBondContact O-CB 3.4Å; A305-Y309 PolarHBondContact O-N 3.45Å
306C98.2Very high96.4Very high1 Ų139 Ų391%0.00718%0.184CC..Hα-helixtrans-61.7-49.8177.5-177.50000111.5Y247 T302 D303 I304 K308 Y309 R310Y247-C306 HydrophobicContact CD1-CB 4.25Å; Y247-C306 HydrophobicContact CD2-CB 4.32Å; Y247-C306 HydrophobicContact CE1-CB 3.96Å; Y247-C306 HydrophobicContact CE2-CB 4.05Å; Y247-C306 HydrophobicContact CG-CB 4.41Å; Y247-C306 VanDerWaalsContact CZ-SG 3.52Å; Y247-C306 PolarHBondContact OH-SG 3.44Å; T302-C306 VanDerWaalsContact O-CB 3.24Å; T302-C306 WeakPolarHBondContact O-CB 3.29Å; T302-C306 PolarHBondContact O-N 2.87Å; D303-C306 PolarHBondContact O-N 3.33Å; I304-C306 VanDerWaalsContact C-N 3.32Å; C306-K308 VanDerWaalsContact C-N 3.33Å; C306-K308 PolarHBondContact O-N 2.95Å; C306-Y309 PolarHBondContact O-N 2.87Å; C306-R310 VanDerWaalsContact O-CG 3.29Å; C306-R310 WeakPolarHBondContact O-CG 3.36Å; C306-R310 PolarHBondContact O-N 3.21Å; C306-R310 PolarHBondContact SG-NE 3.26Å; C306-R310 PolarHBondContact SG-NH2 2.9Å; C306-R310 VanDerWaalsContact SG-NH2 3.44Å
307A98.5Very high96.9Very high0 Ų041.4 Ų41.40%019%0.192CC..Hα-helixtrans-59.8-43.6176.900000111.8D303 R310 Y311 V338 L350D303-A307 WeakPolarHBondContact O-CB 3.28Å; D303-A307 PolarHBondContact O-N 2.92Å; A307-R310 PolarHBondContact O-N 3.17Å; A307-Y311 PolarHBondContact O-N 2.73Å; A307-V338 HydrophobicContact CB-CG1 4.21Å; A307-V338 HydrophobicContact CB-CG2 3.82Å; A307-L350 HydrophobicContact CB-CD1 4.46Å
308K98.4Very high97.3Very high43 Ų4338.7 Ų38.719%0.18718%0.181CC..Hα-helixtrans-61-46.6175.2-174.5-180-179.8178.30111.6M250 I254 I304 A305 C306 Y311 E312 Y343M250-K308 HydrophobicContact CE-CB 4.48Å; M250-K308 HydrophobicContact CE-CD 4.41Å; I254-K308 HydrophobicContact CD1-CD 3.64Å; I304-K308 PolarHBondContact O-N 3.03Å; I304-K308 VanDerWaalsContact O-N 3.11Å; A305-K308 PolarHBondContact O-N 2.73Å; C306-K308 VanDerWaalsContact C-N 3.33Å; C306-K308 PolarHBondContact O-N 2.95Å; K308-Y311 PolarHBondContact O-N 3.34Å; K308-E312 WeakPolarHBondContact CE-OE1 3.15Å; K308-E312 WeakPolarHBondContact CE-OE2 3.46Å; K308-E312 HydrophobicContact CG-CG 4.2Å; K308-E312 WeakPolarHBondContact O-CB 3.35Å; K308-E312 PolarHBondContact O-N 2.94Å; K308-Y343 HydrophobicContact CB-CG 4.36Å; K308-Y343 HydrophobicContact CD-CD1 3.88Å; K308-Y343 HydrophobicContact CD-CD2 4.35Å; K308-Y343 HydrophobicContact CD-CE1 4.21Å; K308-Y343 HydrophobicContact CD-CG 3.98Å; K308-Y343 HydrophobicContact CG-CD1 4.45Å; K308-Y343 HydrophobicContact CG-CG 4.22Å
309Y98.6Very high97.7Very high53 Ų5336.5 Ų36.521%0.20817%0.17CC..Hα-helixtrans-60.4-46.2178.4-179.2-90.8000112L246 Y247 M250 A305 C306 Y311 T313 L314L246-Y309 HydrophobicContact CD2-CE1 4.23Å; Y247-Y309 HydrophobicContact CD1-CG 4.33Å; Y247-Y309 AromaticContact CE1-CD1 3.9Å; Y247-Y309 HydrophobicContact CE1-CD1 3.9Å; Y247-Y309 AromaticContact CE1-CG 3.88Å; Y247-Y309 HydrophobicContact CE1-CG 3.88Å; M250-Y309 HydrophobicContact SD-CD2 3.94Å; M250-Y309 HydrophobicContact SD-CG 4.45Å; A305-Y309 WeakPolarHBondContact O-CB 3.4Å; A305-Y309 PolarHBondContact O-N 3.45Å; C306-Y309 PolarHBondContact O-N 2.87Å; Y309-Y311 VanDerWaalsContact C-N 3.27Å; Y309-Y311 PolarHBondContact O-N 2.88Å; Y309-T313 HydrophobicContact CD2-CG2 4.22Å; Y309-T313 HydrophobicContact CE1-CG2 4.44Å; Y309-T313 HydrophobicContact CE2-CG2 3.62Å; Y309-T313 WeakPolarHBondContact O-CA 3.46Å; Y309-T313 WeakPolarHBondContact O-CB 3.26Å; Y309-T313 PolarHBondContact O-N 3Å; Y309-L314 HydrophobicContact CD1-CD1 4.27Å; Y309-L314 HydrophobicContact CD1-CG 4.14Å; Y309-L314 HydrophobicContact CE1-CD1 4.06Å; Y309-L314 HydrophobicContact CE1-CD2 3.87Å; Y309-L314 HydrophobicContact CE1-CG 3.81Å; Y309-L314 PolarHBondContact O-N 3.07Å
310R98.5Very high98Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-60.1-37.6179.2-71.3174.6175.8172.44.7112.1V102 D104 C306 A307 L314 H315 A316 V319 Y321V102-R310 HydrophobicContact CG1-CG 4.1Å; V102-R310 HydrophobicContact CG2-CB 4.45Å; D104-R310 VanDerWaalsContact CG-NH2 3.34Å; D104-R310 IonicContact OD2-CZ 3.68Å; D104-R310 VanDerWaalsContact OD2-CZ 3.29Å; D104-R310 IonicContact OD2-NH1 3.81Å; D104-R310 PolarHBondContact OD2-NH1 3.2Å; D104-R310 IonicContact OD2-NH2 2.79Å; D104-R310 PolarHBondContact OD2-NH2 2.87Å; C306-R310 VanDerWaalsContact O-CG 3.29Å; C306-R310 WeakPolarHBondContact O-CG 3.36Å; C306-R310 PolarHBondContact O-N 3.21Å; C306-R310 PolarHBondContact SG-NE 3.26Å; C306-R310 PolarHBondContact SG-NH2 2.9Å; C306-R310 VanDerWaalsContact SG-NH2 3.44Å; A307-R310 PolarHBondContact O-N 3.17Å; R310-L314 HydrophobicContact CG-CD1 4.14Å; R310-L314 VanDerWaalsContact O-CB 3.32Å; R310-L314 WeakPolarHBondContact O-CB 3.48Å; R310-H315 PolarHBondContact O-N 3.02Å; R310-A316 VanDerWaalsContact O-CB 3.25Å; R310-A316 WeakPolarHBondContact O-CB 3.42Å; R310-A316 PolarHBondContact O-N 3.5Å; R310-A316 VanDerWaalsContact O-N 3.15Å; R310-V319 HydrophobicContact CB-CG2 4.25Å; R310-Y321 PolarHBondContact NH1-OH 3.23Å
311Y98.5Very high98.2Very high82 Ų8230.1 Ų30.132%0.32214%0.143SC..Hα-helixtrans-78.2-57.1175.5176.2-116.2000112.7A307 K308 Y309 H315 Y343 V344 P345 V348A307-Y311 PolarHBondContact O-N 2.73Å; K308-Y311 PolarHBondContact O-N 3.34Å; Y309-Y311 VanDerWaalsContact C-N 3.27Å; Y309-Y311 PolarHBondContact O-N 2.88Å; Y311-H315 WeakPolarHBondContact O-CA 3.33Å; Y311-H315 PolarHBondContact O-N 3.16Å; Y311-H315 VanDerWaalsContact O-N 3.11Å; Y311-Y343 WeakPolarHBondContact CD1-O 3.48Å; Y311-V344 HydrophobicContact CD1-CG2 4.35Å; Y311-V344 HydrophobicContact CD2-CG1 4.37Å; Y311-V344 HydrophobicContact CG-CB 4.47Å; Y311-V344 HydrophobicContact CG-CG1 4.1Å; Y311-V344 HydrophobicContact CG-CG2 4.19Å; Y311-P345 HydrophobicContact CE1-CG 4.37Å; Y311-P345 HydrophobicContact CE2-CG 4.13Å; Y311-P345 VanDerWaalsContact CZ-CD 3.41Å; Y311-V348 HydrophobicContact CD2-CB 4.45Å; Y311-V348 HydrophobicContact CD2-CG1 4.29Å; Y311-V348 HydrophobicContact CD2-CG2 3.9Å; Y311-V348 HydrophobicContact CE2-CG2 3.69Å
312E98Very high98.2Very high93 Ų9330.2 Ų30.244%0.43514%0.144SC..Hα-helixtrans-75.3-33.2-169.7-66.4-176.7177.100113.2K308 H315K308-E312 WeakPolarHBondContact CE-OE1 3.15Å; K308-E312 WeakPolarHBondContact CE-OE2 3.46Å; K308-E312 HydrophobicContact CG-CG 4.2Å; K308-E312 WeakPolarHBondContact O-CB 3.35Å; K308-E312 PolarHBondContact O-N 2.94Å; E312-H315 PolarHBondContact O-CE1 2.94Å; E312-H315 PolarHBondContact O-ND1 2.98Å
313T98.3Very high98.2Very high73 Ų7331.2 Ų31.245%0.44815%0.149SC..THydrogen-bonded Turntrans-100.6-43.1-176.2-52.50000112.5Y309Y309-T313 HydrophobicContact CD2-CG2 4.22Å; Y309-T313 HydrophobicContact CE1-CG2 4.44Å; Y309-T313 HydrophobicContact CE2-CG2 3.62Å; Y309-T313 WeakPolarHBondContact O-CA 3.46Å; Y309-T313 WeakPolarHBondContact O-CB 3.26Å; Y309-T313 PolarHBondContact O-N 3Å
314L98.1Very high98Very high25 Ų2530.9 Ų30.913%0.13115%0.147CC..THydrogen-bonded Turntrans-87.2-9179.4-52.7179.7000113.2V102 I140 M242 Y309 R310 A316V102-L314 HydrophobicContact CG2-CB 4.29Å; V102-L314 HydrophobicContact CG2-CD1 3.91Å; I140-L314 HydrophobicContact CD1-CB 3.9Å; I140-L314 HydrophobicContact CD1-CD1 4.46Å; I140-L314 HydrophobicContact CG2-CD1 4.21Å; M242-L314 HydrophobicContact CE-CD1 4.17Å; M242-L314 HydrophobicContact SD-CD1 4.17Å; Y309-L314 HydrophobicContact CD1-CD1 4.27Å; Y309-L314 HydrophobicContact CD1-CG 4.14Å; Y309-L314 HydrophobicContact CE1-CD1 4.06Å; Y309-L314 HydrophobicContact CE1-CD2 3.87Å; Y309-L314 HydrophobicContact CE1-CG 3.81Å; Y309-L314 PolarHBondContact O-N 3.07Å; R310-L314 HydrophobicContact CG-CD1 4.14Å; R310-L314 VanDerWaalsContact O-CB 3.32Å; R310-L314 WeakPolarHBondContact O-CB 3.48Å; L314-A316 VanDerWaalsContact C-N 3.28Å; L314-A316 PolarHBondContact O-N 3.19Å
315H98.3Very high97.7Very high132 Ų13232.8 Ų32.861%0.61116%0.16SC*.  trans54.843.7-178-54-55.5000112.2T100 R310 Y311 E312 D317T100-H315 WeakPolarHBondContact CB-O 3.31Å; R310-H315 PolarHBondContact O-N 3.02Å; Y311-H315 WeakPolarHBondContact O-CA 3.33Å; Y311-H315 PolarHBondContact O-N 3.16Å; Y311-H315 VanDerWaalsContact O-N 3.11Å; E312-H315 PolarHBondContact O-CE1 2.94Å; E312-H315 PolarHBondContact O-ND1 2.98Å; H315-D317 PolarHBondContact O-N 3.41Å
316A98.6Very high97.4Very high1 Ų141.3 Ų41.31%0.00819%0.192CC..  trans-66.9128179.900000111.5V102 R310 L314 V319 V348V102-A316 HydrophobicContact CG2-CB 3.74Å; R310-A316 VanDerWaalsContact O-CB 3.25Å; R310-A316 WeakPolarHBondContact O-CB 3.42Å; R310-A316 PolarHBondContact O-N 3.5Å; R310-A316 VanDerWaalsContact O-N 3.15Å; L314-A316 VanDerWaalsContact C-N 3.28Å; L314-A316 PolarHBondContact O-N 3.19Å; A316-V319 HydrophobicContact CB-CG2 3.78Å; A316-V348 WeakPolarHBondContact O-CG1 3.33Å
317D98.6Very high97.2Very high72 Ų7245.7 Ų45.739%0.38521%0.213SC..SBendtrans-80.6-23.5167.3-60.7-58.3000110.9Q99 T100 H315 P349Q99-D317 WeakPolarHBondContact CA-OD2 3.17Å; Q99-D317 HydrophobicContact CB-CB 4.08Å; Q99-D317 HydrophobicContact CG-CB 4.33Å; T100-D317 PolarHBondContact N-OD2 3.43Å; T100-D317 PolarHBondContact O-N 3.13Å; H315-D317 PolarHBondContact O-N 3.41Å; D317-P349 WeakPolarHBondContact O-CD 3.38Å
318R98.3Very high97Very high22 Ų2249.2 Ų49.28%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-156142-177.5178.2171.8-167.9-136.5-10.1110.6T100 I101 V102 L320 P349 E351 A497 R498T100-R318 PolarHBondContact O-N 3.43Å; I101-R318 WeakPolarHBondContact CA-O 3.47Å; I101-R318 HydrophobicContact CG1-CB 4.26Å; I101-R318 HydrophobicContact CG2-CB 4.29Å; I101-R318 HydrophobicContact CG2-CG 4.25Å; V102-R318 PolarHBondContact N-O 2.91Å; R318-L320 HydrophobicContact CG-CD2 3.76Å; R318-L320 HydrophobicContact CG-CG 4.46Å; R318-P349 HydrophobicContact CB-CG 4.09Å; R318-P349 HydrophobicContact CG-CG 3.94Å; R318-E351 IonicContact CZ-OE1 3.74Å; R318-E351 IonicContact CZ-OE2 3.86Å; R318-E351 IonicContact NE-OE1 2.72Å; R318-E351 PolarHBondContact NE-OE1 3.39Å; R318-E351 IonicContact NE-OE2 3.65Å; R318-E351 VanDerWaalsContact NH2-CD 3.29Å; R318-E351 IonicContact NH2-OE1 3.22Å; R318-E351 PolarHBondContact NH2-OE1 3.35Å; R318-E351 VanDerWaalsContact NH2-OE1 3.09Å; R318-E351 IonicContact NH2-OE2 2.89Å; R318-E351 PolarHBondContact NH2-OE2 2.96Å; R318-A497 PolarHBondContact NH1-O 3.48Å; R318-R498 PolarHBondContact NH2-O 2.93Å
319V98.6Very high96.9Very high1 Ų152.2 Ų52.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-129122.4177.4-1690000110.7V102 R310 A316 Y321 P349 L350 E351V102-V319 HydrophobicContact CB-CG1 4.1Å; V102-V319 HydrophobicContact CB-CG2 4.39Å; V102-V319 HydrophobicContact CG1-CG1 4.27Å; V102-V319 CarbonylContact O-C 3.55Å; V102-V319 WeakPolarHBondContact O-CA 3.25Å; R310-V319 HydrophobicContact CB-CG2 4.25Å; A316-V319 HydrophobicContact CB-CG2 3.78Å; V319-Y321 HydrophobicContact CB-CE2 3.84Å; V319-Y321 HydrophobicContact CG1-CD2 3.94Å; V319-Y321 HydrophobicContact CG1-CE2 3.23Å; V319-P349 PolarHBondContact N-O 3.1Å; V319-L350 HydrophobicContact CB-CD2 3.74Å; V319-L350 HydrophobicContact CG2-CD2 3.74Å; V319-E351 PolarHBondContact O-N 3.01Å
320L98.6Very high96.7Very high1 Ų151.9 Ų51.91%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-109126.1-178-48.7-173.6000110.1I101 V102 V103 D104 L132 R318 Y322 E351I101-L320 HydrophobicContact CG2-CD1 4.1Å; I101-L320 HydrophobicContact CG2-CG 4.03Å; V102-L320 PolarHBondContact O-N 2.78Å; V103-L320 HydrophobicContact CG1-CB 4.45Å; V103-L320 HydrophobicContact CG2-CB 4.43Å; V103-L320 HydrophobicContact CG2-CD1 4.15Å; V103-L320 HydrophobicContact CG2-CG 4.44Å; D104-L320 PolarHBondContact N-O 2.87Å; L132-L320 HydrophobicContact CD1-CD1 3.95Å; R318-L320 HydrophobicContact CG-CD2 3.76Å; R318-L320 HydrophobicContact CG-CG 4.46Å; L320-Y322 HydrophobicContact CB-CE2 4.03Å; L320-Y322 HydrophobicContact CD1-CE2 4.49Å; L320-E351 HydrophobicContact CD2-CB 4Å; L320-E351 HydrophobicContact CD2-CG 4.36Å
321Y98.3Very high96.6Very high4 Ų452 Ų522%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-113.9107.1179.4-63.7-105.9000110D104 R310 V319 I323 L331 W335 L350 E351 H353D104-Y321 HydrophobicContact CB-CD1 4.19Å; R310-Y321 PolarHBondContact NH1-OH 3.23Å; V319-Y321 HydrophobicContact CB-CE2 3.84Å; V319-Y321 HydrophobicContact CG1-CD2 3.94Å; V319-Y321 HydrophobicContact CG1-CE2 3.23Å; Y321-I323 HydrophobicContact CD1-CD1 4.26Å; Y321-I323 PolarHBondContact O-N 3.35Å; Y321-L331 HydrophobicContact CD1-CD2 4.47Å; Y321-W335 HydrophobicContact CD1-CZ2 4.1Å; Y321-W335 AromaticContact CD2-CH2 3.58Å; Y321-W335 HydrophobicContact CD2-CH2 3.58Å; Y321-W335 AromaticContact CD2-CZ2 3.22Å; Y321-W335 HydrophobicContact CD2-CZ2 3.22Å; Y321-W335 HydrophobicContact CE1-CZ2 4.13Å; Y321-W335 AromaticContact CE2-CE2 3.92Å; Y321-W335 AromaticContact CE2-CH2 3.98Å; Y321-W335 HydrophobicContact CE2-CH2 3.98Å; Y321-W335 AromaticContact CE2-CZ2 3.29Å; Y321-W335 HydrophobicContact CE2-CZ2 3.29Å; Y321-W335 HydrophobicContact CG-CH2 4.13Å; Y321-W335 AromaticContact CG-CZ2 3.66Å; Y321-W335 HydrophobicContact CG-CZ2 3.66Å; Y321-W335 AromaticContact CZ-CZ2 3.78Å; Y321-W335 AromaticContact CZ-NE1 3.99Å; Y321-L350 HydrophobicContact CE2-CB 4.48Å; Y321-L350 HydrophobicContact CE2-CD2 4.4Å; Y321-E351 PolarHBondContact N-O 2.87Å; Y321-H353 WeakPolarHBondContact O-CA 3.43Å; Y321-H353 PolarHBondContact O-N 3.36Å
322Y97.6Very high96.5Very high3 Ų350.4 Ų50.41%0.01224%0.241CC..  trans-88.787.2175.2-72.2-86.4000110V103 D104 S121 I124 A128 L320 H353 F355 G500V103-Y322 HydrophobicContact CG1-CD2 3.76Å; V103-Y322 HydrophobicContact CG1-CE2 3.62Å; D104-Y322 PolarHBondContact O-N 3.31Å; S121-Y322 PolarHBondContact OG-O 3.41Å; I124-Y322 HydrophobicContact CB-CD1 4.17Å; I124-Y322 HydrophobicContact CB-CE1 4.44Å; I124-Y322 HydrophobicContact CG2-CD1 3.51Å; I124-Y322 HydrophobicContact CG2-CE1 3.41Å; I124-Y322 VanDerWaalsContact CG2-CE1 3.41Å; A128-Y322 HydrophobicContact CB-CE2 3.99Å; A128-Y322 WeakPolarHBondContact CB-OH 3.32Å; L320-Y322 HydrophobicContact CB-CE2 4.03Å; L320-Y322 HydrophobicContact CD1-CE2 4.49Å; Y322-H353 HydrophobicContact CD1-CB 3.58Å; Y322-H353 HydrophobicContact CD2-CB 4.36Å; Y322-H353 HydrophobicContact CE1-CB 3.44Å; Y322-H353 VanDerWaalsContact CE1-CB 3.44Å; Y322-H353 AromaticContact CE1-CG 3.94Å; Y322-H353 AromaticContact CE1-ND1 3.92Å; Y322-H353 HydrophobicContact CE2-CB 4.25Å; Y322-H353 HydrophobicContact CG-CB 4.05Å; Y322-H353 AromaticContact CZ-CG 3.87Å; Y322-H353 AromaticContact CZ-ND1 3.79Å; Y322-H353 PolarHBondContact OH-ND1 2.86Å; Y322-F355 WeakPolarHBondContact O-CE1 3.44Å; Y322-G500 WeakPolarHBondContact OH-CA 3.38Å
323I95.4Very high96.5Very high26 Ų2647 Ų4713%0.13323%0.225CC..  trans-127.3153.9-173.9-54.2-169.5000110.4Y321 Q327 L331 H352 M354 F355Y321-I323 HydrophobicContact CD1-CD1 4.26Å; Y321-I323 PolarHBondContact O-N 3.35Å; I323-Q327 HydrophobicContact CG2-CB 3.71Å; I323-Q327 VanDerWaalsContact CG2-CD 3.43Å; I323-Q327 HydrophobicContact CG2-CG 3.88Å; I323-L331 HydrophobicContact CB-CD1 4.39Å; I323-L331 HydrophobicContact CD1-CD1 4.09Å; I323-L331 HydrophobicContact CD1-CD2 4.23Å; I323-H352 PolarHBondContact O-NE2 3.29Å; I323-M354 VanDerWaalsContact O-CA 3.24Å; I323-M354 WeakPolarHBondContact O-CA 3.11Å; I323-F355 VanDerWaalsContact C-CE1 3.42Å; I323-F355 PolarHBondContact O-N 3.49Å
324D93.6Very high96.5Very high16 Ų1643.5 Ų43.59%0.08620%0.203CC..BIsolated β-bridgetrans-59.5137174.8-175.1-69.2000111.1R326 Q327 F355D324-R326 PolarHBondContact O-N 3.47Å; D324-R326 VanDerWaalsContact OD1-CB 3.24Å; D324-R326 WeakPolarHBondContact OD1-CB 3.4Å; D324-R326 VanDerWaalsContact OD1-CG 3.28Å; D324-R326 WeakPolarHBondContact OD1-CG 3.42Å; D324-R326 IonicContact OD1-CZ 3.97Å; D324-R326 PolarHBondContact OD1-N 2.89Å; D324-R326 IonicContact OD1-NE 3Å; D324-R326 PolarHBondContact OD1-NE 3.47Å; D324-R326 IonicContact OD1-NH2 3.61Å; D324-R326 IonicContact OD2-CZ 3.56Å; D324-R326 IonicContact OD2-NE 3.61Å; D324-R326 PolarHBondContact OD2-NE 2.9Å; D324-R326 IonicContact OD2-NH2 2.67Å; D324-R326 PolarHBondContact OD2-NH2 3.29Å; D324-Q327 PolarHBondContact O-N 3.5Å; D324-F355 HydrophobicContact CB-CD2 4.42Å; D324-F355 HydrophobicContact CB-CE2 3.78Å; D324-F355 HydrophobicContact CB-CZ 4.23Å; D324-F355 VanDerWaalsContact N-CZ 3.32Å
325S93.3Very high96.5Very high40 Ų4043.2 Ų43.228%0.2820%0.201SC..G310 helixtrans-51.2-28-179.258.70000114.8Q327 H328 F355S325-Q327 PolarHBondContact O-N 2.99Å; S325-H328 VanDerWaalsContact O-CB 3.23Å; S325-H328 WeakPolarHBondContact O-CB 3.23Å; S325-H328 PolarHBondContact O-N 3.27Å; S325-H328 VanDerWaalsContact O-N 3.1Å; S325-F355 WeakPolarHBondContact CB-O 3.44Å; S325-F355 PolarHBondContact N-O 3.04Å; S325-F355 PolarHBondContact OG-O 2.94Å
326R91.8Very high96.5Very high179 Ų17937.9 Ų37.968%0.67518%0.179SC*.G310 helixtrans-63.3-20.4177-66.8172-70.4170.2-1.6113.6D324D324-R326 PolarHBondContact O-N 3.47Å; D324-R326 VanDerWaalsContact OD1-CB 3.24Å; D324-R326 WeakPolarHBondContact OD1-CB 3.4Å; D324-R326 VanDerWaalsContact OD1-CG 3.28Å; D324-R326 WeakPolarHBondContact OD1-CG 3.42Å; D324-R326 IonicContact OD1-CZ 3.97Å; D324-R326 PolarHBondContact OD1-N 2.89Å; D324-R326 IonicContact OD1-NE 3Å; D324-R326 PolarHBondContact OD1-NE 3.47Å; D324-R326 IonicContact OD1-NH2 3.61Å; D324-R326 IonicContact OD2-CZ 3.56Å; D324-R326 IonicContact OD2-NE 3.61Å; D324-R326 PolarHBondContact OD2-NE 2.9Å; D324-R326 IonicContact OD2-NH2 2.67Å; D324-R326 PolarHBondContact OD2-NH2 3.29Å
327Q93.3Very high96.4Very high94 Ų9437.9 Ų37.944%0.43918%0.179SC..G310 helixtrans-92.22.2177.9-55.2-16737.400113.5I323 D324 S325 Q329 H330 L331I323-Q327 HydrophobicContact CG2-CB 3.71Å; I323-Q327 VanDerWaalsContact CG2-CD 3.43Å; I323-Q327 HydrophobicContact CG2-CG 3.88Å; D324-Q327 PolarHBondContact O-N 3.5Å; S325-Q327 PolarHBondContact O-N 2.99Å; Q327-Q329 PolarHBondContact O-N 2.83Å; Q327-H330 PolarHBondContact O-N 2.98Å; Q327-L331 PolarHBondContact O-N 2.99Å
328H94.9Very high96.4Very high73 Ų7334.5 Ų34.534%0.33816%0.161SC..Hα-helixtrans-55.3-47.6-175.2-178.986.5000113S325 H330 L331 M332 H352S325-H328 VanDerWaalsContact O-CB 3.23Å; S325-H328 WeakPolarHBondContact O-CB 3.23Å; S325-H328 PolarHBondContact O-N 3.27Å; S325-H328 VanDerWaalsContact O-N 3.1Å; H328-H330 VanDerWaalsContact C-N 3.33Å; H328-H330 PolarHBondContact O-N 3.48Å; H328-L331 PolarHBondContact O-N 3.37Å; H328-M332 WeakPolarHBondContact NE2-CG 3.18Å; H328-M332 WeakPolarHBondContact O-CG 3.36Å; H328-M332 PolarHBondContact O-N 2.86Å; H328-H352 VanDerWaalsContact CA-CE1 3.43Å; H328-H352 WeakPolarHBondContact CA-CE1 3.45Å; H328-H352 WeakPolarHBondContact CA-ND1 3.36Å; H328-H352 AromaticContact CG-ND1 3.61Å; H328-H352 AromaticContact ND1-CE1 3.85Å; H328-H352 AromaticContact ND1-CG 3.99Å; H328-H352 AromaticContact ND1-ND1 3.01Å; H328-H352 PolarHBondContact ND1-ND1 3.33Å
329Q94.8Very high96.4Very high107 Ų10735.9 Ų35.950%0.517%0.166SC..Hα-helixtrans-61.1-41.7-178.1-175.9-179.9-30.900112.2M286 Q327 M332 Q333M286-Q329 PolarHBondContact SD-NE2 3.16Å; Q327-Q329 PolarHBondContact O-N 2.83Å; Q329-M332 PolarHBondContact O-N 2.98Å; Q329-Q333 VanDerWaalsContact NE2-NE2 3.14Å; Q329-Q333 VanDerWaalsContact O-CG 3.24Å; Q329-Q333 WeakPolarHBondContact O-CG 3.36Å; Q329-Q333 PolarHBondContact O-N 2.78Å
330H95.7Very high96.4Very high45 Ų4539.7 Ų39.721%0.20818%0.183CC..Hα-helixtrans-61.4-47.8177.9169.379.4000111.6T300 D303 Q327 H328 M332 Q333 A334T300-H330 PolarHBondContact OG1-CE1 3.35Å; T300-H330 VanDerWaalsContact OG1-CE1 3.24Å; D303-H330 IonicContact OD2-CD2 2.72Å; D303-H330 IonicContact OD2-CE1 2.66Å; D303-H330 IonicContact OD2-NE2 3.13Å; D303-H330 PolarHBondContact OD2-NE2 3.01Å; Q327-H330 PolarHBondContact O-N 2.98Å; H328-H330 VanDerWaalsContact C-N 3.33Å; H328-H330 PolarHBondContact O-N 3.48Å; H330-M332 PolarHBondContact O-N 3.37Å; H330-Q333 WeakPolarHBondContact O-CB 2.93Å; H330-Q333 PolarHBondContact O-N 3.12Å; H330-A334 PolarHBondContact O-N 3.43Å
331L96.6Very high96.3Very high2 Ų239.9 Ų39.91%0.0118%0.184CC..Hα-helixtrans-60.7-45.3177.1-70.8174.1000112.1Y321 I323 Q327 H328 Q333 A334 W335 H352Y321-L331 HydrophobicContact CD1-CD2 4.47Å; I323-L331 HydrophobicContact CB-CD1 4.39Å; I323-L331 HydrophobicContact CD1-CD1 4.09Å; I323-L331 HydrophobicContact CD1-CD2 4.23Å; Q327-L331 PolarHBondContact O-N 2.99Å; H328-L331 PolarHBondContact O-N 3.37Å; L331-Q333 VanDerWaalsContact C-N 3.29Å; L331-Q333 PolarHBondContact O-N 3.22Å; L331-A334 PolarHBondContact O-N 3.38Å; L331-W335 HydrophobicContact CB-CH2 4.48Å; L331-W335 HydrophobicContact CB-CZ2 4.19Å; L331-W335 HydrophobicContact CD1-CH2 4.48Å; L331-W335 HydrophobicContact CD1-CZ2 4.37Å; L331-W335 HydrophobicContact CD2-CZ2 4.06Å; L331-W335 HydrophobicContact CG-CZ2 4.45Å; L331-W335 WeakPolarHBondContact O-CB 3.49Å; L331-W335 VanDerWaalsContact O-CG 3.23Å; L331-W335 PolarHBondContact O-N 2.83Å; L331-H352 HydrophobicContact CD1-CB 4.16Å
332M96.9Very high96.3Very high49 Ų4942.6 Ų42.624%0.24121%0.214CC..Hα-helixtrans-62.5-37.6179.5-64.3-56.796.100111.8F278 H328 Q329 H330 W335 A336 H352F278-M332 HydrophobicContact CE1-CB 3.99Å; F278-M332 HydrophobicContact CZ-CB 3.71Å; H328-M332 WeakPolarHBondContact NE2-CG 3.18Å; H328-M332 WeakPolarHBondContact O-CG 3.36Å; H328-M332 PolarHBondContact O-N 2.86Å; Q329-M332 PolarHBondContact O-N 2.98Å; H330-M332 PolarHBondContact O-N 3.37Å; M332-W335 HydrophobicContact CE-CD2 4.27Å; M332-W335 HydrophobicContact CE-CE3 3.35Å; M332-W335 HydrophobicContact CE-CH2 4.12Å; M332-W335 HydrophobicContact CE-CZ3 3.28Å; M332-W335 HydrophobicContact SD-CE3 4.5Å; M332-A336 VanDerWaalsContact O-CB 3.31Å; M332-A336 WeakPolarHBondContact O-CB 3.39Å; M332-A336 PolarHBondContact O-N 2.86Å; M332-H352 HydrophobicContact CE-CB 4.14Å
333Q97.4Very high96.3Very high22 Ų2242.7 Ų42.710%0.10321%0.214CC..Hα-helixtrans-65.6-48.8174.7-72.3167.50.400112L275 F278 M286 V288 Q329 H330 L331 W335 A336 I337L275-Q333 HydrophobicContact CD1-CB 4Å; L275-Q333 HydrophobicContact CD1-CG 4.15Å; F278-Q333 HydrophobicContact CD1-CG 4.27Å; F278-Q333 HydrophobicContact CD2-CG 4.34Å; F278-Q333 HydrophobicContact CE1-CG 4.27Å; F278-Q333 HydrophobicContact CE2-CG 4.35Å; F278-Q333 HydrophobicContact CG-CG 4.31Å; F278-Q333 HydrophobicContact CZ-CG 4.32Å; M286-Q333 PolarHBondContact SD-NE2 2.79Å; V288-Q333 HydrophobicContact CG2-CB 4.1Å; V288-Q333 HydrophobicContact CG2-CG 4.14Å; Q329-Q333 VanDerWaalsContact NE2-NE2 3.14Å; Q329-Q333 VanDerWaalsContact O-CG 3.24Å; Q329-Q333 WeakPolarHBondContact O-CG 3.36Å; Q329-Q333 PolarHBondContact O-N 2.78Å; H330-Q333 WeakPolarHBondContact O-CB 2.93Å; H330-Q333 PolarHBondContact O-N 3.12Å; L331-Q333 VanDerWaalsContact C-N 3.29Å; L331-Q333 PolarHBondContact O-N 3.22Å; Q333-W335 VanDerWaalsContact C-N 3.3Å; Q333-W335 PolarHBondContact O-N 3.19Å; Q333-A336 PolarHBondContact O-N 2.86Å; Q333-I337 WeakPolarHBondContact O-CG1 3.25Å; Q333-I337 PolarHBondContact O-N 3.37Å; Q333-I337 VanDerWaalsContact O-N 3.13Å
334A97.8Very high96.5Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-58.1-44.9177.400000110.9T300 D303 I304 H330 L331 I337 V338T300-A334 HydrophobicContact CG2-CB 4.15Å; D303-A334 HydrophobicContact CB-CB 4.18Å; I304-A334 HydrophobicContact CG1-CB 4.42Å; H330-A334 PolarHBondContact O-N 3.43Å; L331-A334 PolarHBondContact O-N 3.38Å; A334-I337 WeakPolarHBondContact O-CB 3.3Å; A334-I337 PolarHBondContact O-N 2.91Å; A334-V338 VanDerWaalsContact O-CG2 3.32Å; A334-V338 WeakPolarHBondContact O-CG2 3.22Å; A334-V338 PolarHBondContact O-N 3.28Å
335W98Very high96.7Very high19 Ų1942.9 Ų42.97%0.07222%0.218CC..Hα-helixtrans-71-33.6179.9-62-9.7000113.2Y321 L331 M332 Q333 I337 V338 R339 L350 H352Y321-W335 HydrophobicContact CD1-CZ2 4.1Å; Y321-W335 AromaticContact CD2-CH2 3.58Å; Y321-W335 HydrophobicContact CD2-CH2 3.58Å; Y321-W335 AromaticContact CD2-CZ2 3.22Å; Y321-W335 HydrophobicContact CD2-CZ2 3.22Å; Y321-W335 HydrophobicContact CE1-CZ2 4.13Å; Y321-W335 AromaticContact CE2-CE2 3.92Å; Y321-W335 AromaticContact CE2-CH2 3.98Å; Y321-W335 HydrophobicContact CE2-CH2 3.98Å; Y321-W335 AromaticContact CE2-CZ2 3.29Å; Y321-W335 HydrophobicContact CE2-CZ2 3.29Å; Y321-W335 HydrophobicContact CG-CH2 4.13Å; Y321-W335 AromaticContact CG-CZ2 3.66Å; Y321-W335 HydrophobicContact CG-CZ2 3.66Å; Y321-W335 AromaticContact CZ-CZ2 3.78Å; Y321-W335 AromaticContact CZ-NE1 3.99Å; L331-W335 HydrophobicContact CB-CH2 4.48Å; L331-W335 HydrophobicContact CB-CZ2 4.19Å; L331-W335 HydrophobicContact CD1-CH2 4.48Å; L331-W335 HydrophobicContact CD1-CZ2 4.37Å; L331-W335 HydrophobicContact CD2-CZ2 4.06Å; L331-W335 HydrophobicContact CG-CZ2 4.45Å; L331-W335 WeakPolarHBondContact O-CB 3.49Å; L331-W335 VanDerWaalsContact O-CG 3.23Å; L331-W335 PolarHBondContact O-N 2.83Å; M332-W335 HydrophobicContact CE-CD2 4.27Å; M332-W335 HydrophobicContact CE-CE3 3.35Å; M332-W335 HydrophobicContact CE-CH2 4.12Å; M332-W335 HydrophobicContact CE-CZ3 3.28Å; M332-W335 HydrophobicContact SD-CE3 4.5Å; Q333-W335 VanDerWaalsContact C-N 3.3Å; Q333-W335 PolarHBondContact O-N 3.19Å; W335-I337 VanDerWaalsContact C-N 3.26Å; W335-I337 PolarHBondContact O-N 3.21Å; W335-V338 WeakPolarHBondContact O-CB 3.5Å; W335-V338 PolarHBondContact O-N 3.48Å; W335-R339 WeakPolarHBondContact O-CG 3.41Å; W335-R339 PolarHBondContact O-N 3.46Å; W335-L350 HydrophobicContact CB-CD1 4.21Å; W335-L350 HydrophobicContact CD2-CB 3.71Å; W335-L350 HydrophobicContact CD2-CD1 4.03Å; W335-L350 HydrophobicContact CE3-CB 3.65Å; W335-L350 HydrophobicContact CG-CB 4.32Å; W335-L350 HydrophobicContact CG-CD1 3.75Å; W335-L350 HydrophobicContact CH2-CB 4.19Å; W335-L350 HydrophobicContact CZ2-CB 4.24Å; W335-L350 VanDerWaalsContact CZ3-C 3.4Å; W335-L350 HydrophobicContact CZ3-CB 3.88Å; W335-L350 WeakPolarHBondContact CZ3-O 3.45Å; W335-H352 HydrophobicContact CH2-CB 3.96Å; W335-H352 HydrophobicContact CZ3-CB 4.22Å
336A97.8Very high96.8Very high20 Ų2047.6 Ų47.617%0.16524%0.235CC..Hα-helixtrans-59.6-39.8170.900000111.3L275 F278 M332 Q333 R339 K340L275-A336 HydrophobicContact CD1-CB 4.07Å; L275-A336 HydrophobicContact CD2-CB 4.24Å; F278-A336 HydrophobicContact CE2-CB 3.98Å; M332-A336 VanDerWaalsContact O-CB 3.31Å; M332-A336 WeakPolarHBondContact O-CB 3.39Å; M332-A336 PolarHBondContact O-N 2.86Å; Q333-A336 PolarHBondContact O-N 2.86Å; A336-R339 PolarHBondContact O-N 2.83Å; A336-K340 WeakPolarHBondContact O-CB 3.3Å; A336-K340 VanDerWaalsContact O-CG 3.32Å; A336-K340 WeakPolarHBondContact O-CG 3.43Å; A336-K340 PolarHBondContact O-N 3.39Å
337I98.2Very high97.1Very high1 Ų143.9 Ų43.91%0.00524%0.237CC..Hα-helixtrans-65.4-45.5173.7-60.6168.7000110.6L258 V273 L275 V288 I290 T300 I304 Q333 A334 W335 R339 K340 A341L258-I337 HydrophobicContact CD1-CG2 3.93Å; L258-I337 HydrophobicContact CD2-CG2 3.86Å; V273-I337 HydrophobicContact CB-CD1 3.96Å; V273-I337 HydrophobicContact CB-CG1 4.2Å; V273-I337 HydrophobicContact CG1-CD1 4.18Å; V273-I337 HydrophobicContact CG1-CG1 3.86Å; V273-I337 HydrophobicContact CG2-CD1 4.24Å; V273-I337 HydrophobicContact CG2-CG2 4.43Å; L275-I337 HydrophobicContact CD1-CG1 4.23Å; L275-I337 HydrophobicContact CD2-CG1 3.92Å; L275-I337 HydrophobicContact CG-CG1 4.46Å; V288-I337 HydrophobicContact CB-CD1 4.1Å; V288-I337 HydrophobicContact CG1-CD1 3.86Å; I290-I337 HydrophobicContact CG2-CD1 4.36Å; T300-I337 HydrophobicContact CG2-CD1 4.37Å; I304-I337 HydrophobicContact CD1-CB 3.98Å; I304-I337 HydrophobicContact CD1-CD1 3.95Å; I304-I337 HydrophobicContact CD1-CG2 3.64Å; I304-I337 HydrophobicContact CG1-CB 4.34Å; I304-I337 HydrophobicContact CG1-CG2 4.26Å; Q333-I337 WeakPolarHBondContact O-CG1 3.25Å; Q333-I337 PolarHBondContact O-N 3.37Å; Q333-I337 VanDerWaalsContact O-N 3.13Å; A334-I337 WeakPolarHBondContact O-CB 3.3Å; A334-I337 PolarHBondContact O-N 2.91Å; W335-I337 VanDerWaalsContact C-N 3.26Å; W335-I337 PolarHBondContact O-N 3.21Å; I337-R339 VanDerWaalsContact C-N 3.32Å; I337-R339 PolarHBondContact O-N 2.77Å; I337-K340 PolarHBondContact O-N 3.43Å; I337-A341 WeakPolarHBondContact O-CB 3.43Å; I337-A341 PolarHBondContact O-N 2.94Å
338V98.4Very high97.3Very high0 Ų039.9 Ų39.90%022%0.219CC..Hα-helixtrans-55.7-44.7176.2168.10000111.7I304 A307 A334 W335 G342 Y343 V344 L350I304-V338 HydrophobicContact CB-CG2 4.25Å; I304-V338 HydrophobicContact CG1-CG2 4.18Å; I304-V338 HydrophobicContact CG2-CG2 4.06Å; A307-V338 HydrophobicContact CB-CG1 4.21Å; A307-V338 HydrophobicContact CB-CG2 3.82Å; A334-V338 VanDerWaalsContact O-CG2 3.32Å; A334-V338 WeakPolarHBondContact O-CG2 3.22Å; A334-V338 PolarHBondContact O-N 3.28Å; W335-V338 WeakPolarHBondContact O-CB 3.5Å; W335-V338 PolarHBondContact O-N 3.48Å; V338-G342 PolarHBondContact O-N 3.38Å; V338-Y343 PolarHBondContact O-N 3.2Å; V338-V344 HydrophobicContact CG1-CB 3.72Å; V338-V344 HydrophobicContact CG1-CG2 3.52Å; V338-L350 HydrophobicContact CG1-CD1 4.32Å
339R97.8Very high97.4Very high51 Ų5138.6 Ų38.619%0.19222%0.217CC..Hα-helixtrans-66.9-50.2177.8-68.8-55.1-166.6-125-2.5112W335 A336 I337 A341 G342 V344 P345 E346 V348W335-R339 WeakPolarHBondContact O-CG 3.41Å; W335-R339 PolarHBondContact O-N 3.46Å; A336-R339 PolarHBondContact O-N 2.83Å; I337-R339 VanDerWaalsContact C-N 3.32Å; I337-R339 PolarHBondContact O-N 2.77Å; R339-A341 PolarHBondContact O-N 3.36Å; R339-G342 PolarHBondContact O-N 3.26Å; R339-V344 VanDerWaalsContact CD-O 3.25Å; R339-V344 WeakPolarHBondContact CD-O 3.5Å; R339-V344 PolarHBondContact NH1-O 2.99Å; R339-P345 PolarHBondContact NH1-O 3.37Å; R339-P345 VanDerWaalsContact NH1-O 3.16Å; R339-E346 WeakPolarHBondContact CD-OE1 3.5Å; R339-E346 VanDerWaalsContact CG-OE1 3.3Å; R339-E346 WeakPolarHBondContact CG-OE1 3.32Å; R339-E346 IonicContact CZ-OE2 2.88Å; R339-E346 VanDerWaalsContact NE-CD 3.3Å; R339-E346 IonicContact NE-OE1 2.65Å; R339-E346 PolarHBondContact NE-OE1 2.65Å; R339-E346 IonicContact NE-OE2 3.85Å; R339-E346 PolarHBondContact NE-OE2 2.84Å; R339-E346 IonicContact NH2-OE2 3.68Å; R339-V348 PolarHBondContact NH2-O 3.24Å
340K97.4Very high97.6Very high82 Ų8234.4 Ų34.436%0.35720%0.198SC..Hα-helixtrans-59.8-35.5177.6-73.1177-171.7-74.60112.1L263 L275 E277 A336 I337 G342L263-K340 HydrophobicContact CD1-CB 4.2Å; L263-K340 HydrophobicContact CD2-CB 4.15Å; L275-K340 HydrophobicContact CD2-CD 3.94Å; E277-K340 WeakPolarHBondContact OE1-CE 3.33Å; E277-K340 IonicContact OE1-NZ 2.63Å; E277-K340 PolarHBondContact OE1-NZ 3.43Å; E277-K340 WeakPolarHBondContact OE2-CE 3.4Å; E277-K340 IonicContact OE2-NZ 3.75Å; E277-K340 PolarHBondContact OE2-NZ 3.21Å; A336-K340 WeakPolarHBondContact O-CB 3.3Å; A336-K340 VanDerWaalsContact O-CG 3.32Å; A336-K340 WeakPolarHBondContact O-CG 3.43Å; A336-K340 PolarHBondContact O-N 3.39Å; I337-K340 PolarHBondContact O-N 3.43Å; K340-G342 VanDerWaalsContact C-N 3.26Å; K340-G342 PolarHBondContact O-N 3.48Å
341A98Very high97.7Very high5 Ų534.6 Ų34.64%0.04120%0.199CC..THydrogen-bonded Turntrans-75.7-11.5176.500000113.8L258 K261 L263 I337 R339 Y343L258-A341 HydrophobicContact CD2-CB 3.6Å; K261-A341 PolarHBondContact NZ-O 3.49Å; L263-A341 HydrophobicContact CD1-CB 3.96Å; I337-A341 WeakPolarHBondContact O-CB 3.43Å; I337-A341 PolarHBondContact O-N 2.94Å; R339-A341 PolarHBondContact O-N 3.36Å; A341-Y343 VanDerWaalsContact C-N 3.28Å; A341-Y343 HydrophobicContact CB-CD1 4.09Å; A341-Y343 HydrophobicContact CB-CD2 3.65Å; A341-Y343 HydrophobicContact CB-CE1 3.96Å; A341-Y343 HydrophobicContact CB-CE2 3.51Å; A341-Y343 HydrophobicContact CB-CG 3.92Å; A341-Y343 PolarHBondContact O-N 3.32Å
342G97.8Very high97.8Very high61 Ų6135.5 Ų35.563%0.62920%0.203SC*.THydrogen-bonded Turntrans6923.8-176.300000113.8V338 R339 K340V338-G342 PolarHBondContact O-N 3.38Å; R339-G342 PolarHBondContact O-N 3.26Å; K340-G342 VanDerWaalsContact C-N 3.26Å; K340-G342 PolarHBondContact O-N 3.48Å
343Y98.3Very high97.8Very high5 Ų533.4 Ų33.42%0.0219%0.192CC..SBendtrans-76.4-30.6-179.8-65.7-28.3000113.2I254 D257 L258 I304 K308 Y311 V338 A341I254-Y343 HydrophobicContact CD1-CD2 4.48Å; I254-Y343 HydrophobicContact CD1-CE2 3.86Å; I254-Y343 HydrophobicContact CG2-CE2 4.41Å; D257-Y343 WeakPolarHBondContact OD2-CE1 3.3Å; D257-Y343 PolarHBondContact OD2-OH 3.33Å; L258-Y343 HydrophobicContact CD2-CE2 4.23Å; I304-Y343 HydrophobicContact CG2-CD2 3.83Å; I304-Y343 HydrophobicContact CG2-CE2 3.69Å; K308-Y343 HydrophobicContact CB-CG 4.36Å; K308-Y343 HydrophobicContact CD-CD1 3.88Å; K308-Y343 HydrophobicContact CD-CD2 4.35Å; K308-Y343 HydrophobicContact CD-CE1 4.21Å; K308-Y343 HydrophobicContact CD-CG 3.98Å; K308-Y343 HydrophobicContact CG-CD1 4.45Å; K308-Y343 HydrophobicContact CG-CG 4.22Å; Y311-Y343 WeakPolarHBondContact CD1-O 3.48Å; V338-Y343 PolarHBondContact O-N 3.2Å; A341-Y343 VanDerWaalsContact C-N 3.28Å; A341-Y343 HydrophobicContact CB-CD1 4.09Å; A341-Y343 HydrophobicContact CB-CD2 3.65Å; A341-Y343 HydrophobicContact CB-CE1 3.96Å; A341-Y343 HydrophobicContact CB-CE2 3.51Å; A341-Y343 HydrophobicContact CB-CG 3.92Å; A341-Y343 PolarHBondContact O-N 3.32Å
344V98.5Very high97.7Very high1 Ų135.4 Ų35.41%0.00620%0.203CC..SBendtrans-138.3124.1175.9-174.90000107.6Y311 V338 R339 V348 L350Y311-V344 HydrophobicContact CD1-CG2 4.35Å; Y311-V344 HydrophobicContact CD2-CG1 4.37Å; Y311-V344 HydrophobicContact CG-CB 4.47Å; Y311-V344 HydrophobicContact CG-CG1 4.1Å; Y311-V344 HydrophobicContact CG-CG2 4.19Å; V338-V344 HydrophobicContact CG1-CB 3.72Å; V338-V344 HydrophobicContact CG1-CG2 3.52Å; R339-V344 VanDerWaalsContact CD-O 3.25Å; R339-V344 WeakPolarHBondContact CD-O 3.5Å; R339-V344 PolarHBondContact NH1-O 2.99Å; V344-V348 HydrophobicContact CG1-CB 3.79Å; V344-V348 HydrophobicContact CG1-CG1 3.83Å; V344-L350 HydrophobicContact CG1-CD2 4.43Å
345P97.7Very high97.6Very high45 Ų4535.7 Ų35.729%0.29220%0.204SC..  trans-69.4158.7-178.930.5-36.3000112Y311 R339 S347 V348Y311-P345 HydrophobicContact CE1-CG 4.37Å; Y311-P345 HydrophobicContact CE2-CG 4.13Å; Y311-P345 VanDerWaalsContact CZ-CD 3.41Å; R339-P345 PolarHBondContact NH1-O 3.37Å; R339-P345 VanDerWaalsContact NH1-O 3.16Å; P345-S347 PolarHBondContact O-N 3.02Å; P345-V348 HydrophobicContact CG-CB 4.46Å; P345-V348 HydrophobicContact CG-CG2 4.03Å; P345-V348 PolarHBondContact O-N 2.95Å; P345-V348 VanDerWaalsContact O-N 3.08Å
346E96Very high97.4Very high139 Ų13934.9 Ų34.965%0.6520%0.201SC*.THydrogen-bonded Turntrans-61.7-23.2177.3-67.7-59.4162.100113.7R339 V348R339-E346 WeakPolarHBondContact CD-OE1 3.5Å; R339-E346 VanDerWaalsContact CG-OE1 3.3Å; R339-E346 WeakPolarHBondContact CG-OE1 3.32Å; R339-E346 IonicContact CZ-OE2 2.88Å; R339-E346 VanDerWaalsContact NE-CD 3.3Å; R339-E346 IonicContact NE-OE1 2.65Å; R339-E346 PolarHBondContact NE-OE1 2.65Å; R339-E346 IonicContact NE-OE2 3.85Å; R339-E346 PolarHBondContact NE-OE2 2.84Å; R339-E346 IonicContact NH2-OE2 3.68Å; E346-V348 PolarHBondContact O-N 3.42Å
347S97.1Very high97.1Very high100 Ų10036.5 Ų36.570%0.69921%0.206SC*.THydrogen-bonded Turntrans-68.1-17.5176600000113.7P345 P349P345-S347 PolarHBondContact O-N 3.02Å; S347-P349 VanDerWaalsContact O-CD 3.27Å; S347-P349 WeakPolarHBondContact O-CD 3.2Å
348V98.2Very high96.7Very high10 Ų1037 Ų376%0.06121%0.209CC..SBendtrans-102.1101.6176.8174.70000108.9Y311 A316 R339 V344 P345 E346 L350Y311-V348 HydrophobicContact CD2-CB 4.45Å; Y311-V348 HydrophobicContact CD2-CG1 4.29Å; Y311-V348 HydrophobicContact CD2-CG2 3.9Å; Y311-V348 HydrophobicContact CE2-CG2 3.69Å; A316-V348 WeakPolarHBondContact O-CG1 3.33Å; R339-V348 PolarHBondContact NH2-O 3.24Å; V344-V348 HydrophobicContact CG1-CB 3.79Å; V344-V348 HydrophobicContact CG1-CG1 3.83Å; P345-V348 HydrophobicContact CG-CB 4.46Å; P345-V348 HydrophobicContact CG-CG2 4.03Å; P345-V348 PolarHBondContact O-N 2.95Å; P345-V348 VanDerWaalsContact O-N 3.08Å; E346-V348 PolarHBondContact O-N 3.42Å; V348-L350 PolarHBondContact O-N 3.47Å
349P97.7Very high96.4Very high47 Ų4737.9 Ų37.931%0.30521%0.213SC..  trans-64.2128.9-179.223.6-34.2000112.3D317 R318 V319 S347 E351D317-P349 WeakPolarHBondContact O-CD 3.38Å; R318-P349 HydrophobicContact CB-CG 4.09Å; R318-P349 HydrophobicContact CG-CG 3.94Å; V319-P349 PolarHBondContact N-O 3.1Å; S347-P349 VanDerWaalsContact O-CD 3.27Å; S347-P349 WeakPolarHBondContact O-CD 3.2Å; P349-E351 HydrophobicContact CB-CG 4.09Å
350L98.3Very high96Very high19 Ų1935.8 Ų35.810%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-105.2115.7164.9-56.4179.4000106.7A307 V319 Y321 W335 V338 V344 V348A307-L350 HydrophobicContact CB-CD1 4.46Å; V319-L350 HydrophobicContact CB-CD2 3.74Å; V319-L350 HydrophobicContact CG2-CD2 3.74Å; Y321-L350 HydrophobicContact CE2-CB 4.48Å; Y321-L350 HydrophobicContact CE2-CD2 4.4Å; W335-L350 HydrophobicContact CB-CD1 4.21Å; W335-L350 HydrophobicContact CD2-CB 3.71Å; W335-L350 HydrophobicContact CD2-CD1 4.03Å; W335-L350 HydrophobicContact CE3-CB 3.65Å; W335-L350 HydrophobicContact CG-CB 4.32Å; W335-L350 HydrophobicContact CG-CD1 3.75Å; W335-L350 HydrophobicContact CH2-CB 4.19Å; W335-L350 HydrophobicContact CZ2-CB 4.24Å; W335-L350 VanDerWaalsContact CZ3-C 3.4Å; W335-L350 HydrophobicContact CZ3-CB 3.88Å; W335-L350 WeakPolarHBondContact CZ3-O 3.45Å; V338-L350 HydrophobicContact CG1-CD1 4.32Å; V344-L350 HydrophobicContact CG1-CD2 4.43Å; V348-L350 PolarHBondContact O-N 3.47Å
351E98Very high95.5Very high48 Ų4838 Ų3822%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-121.3124.5-167.8-65.9177.2-13700112R318 V319 L320 Y321 P349 H353R318-E351 IonicContact CZ-OE1 3.74Å; R318-E351 IonicContact CZ-OE2 3.86Å; R318-E351 IonicContact NE-OE1 2.72Å; R318-E351 PolarHBondContact NE-OE1 3.39Å; R318-E351 IonicContact NE-OE2 3.65Å; R318-E351 VanDerWaalsContact NH2-CD 3.29Å; R318-E351 IonicContact NH2-OE1 3.22Å; R318-E351 PolarHBondContact NH2-OE1 3.35Å; R318-E351 VanDerWaalsContact NH2-OE1 3.09Å; R318-E351 IonicContact NH2-OE2 2.89Å; R318-E351 PolarHBondContact NH2-OE2 2.96Å; V319-E351 PolarHBondContact O-N 3.01Å; L320-E351 HydrophobicContact CD2-CB 4Å; L320-E351 HydrophobicContact CD2-CG 4.36Å; Y321-E351 PolarHBondContact N-O 2.87Å; P349-E351 HydrophobicContact CB-CG 4.09Å; E351-H353 PolarHBondContact O-N 2.73Å; E351-H353 IonicContact OE2-CD2 2.72Å; E351-H353 IonicContact OE2-CE1 3.49Å; E351-H353 IonicContact OE2-NE2 3.68Å; E351-H353 PolarHBondContact OE2-NE2 3.37Å
352H97.7Very high95.1Very high21 Ų2142.9 Ų42.910%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-87.498.5172.7-176.8-167.7000109.5I323 H328 L331 M332 W335 M354I323-H352 PolarHBondContact O-NE2 3.29Å; H328-H352 VanDerWaalsContact CA-CE1 3.43Å; H328-H352 WeakPolarHBondContact CA-CE1 3.45Å; H328-H352 WeakPolarHBondContact CA-ND1 3.36Å; H328-H352 AromaticContact CG-ND1 3.61Å; H328-H352 AromaticContact ND1-CE1 3.85Å; H328-H352 AromaticContact ND1-CG 3.99Å; H328-H352 AromaticContact ND1-ND1 3.01Å; H328-H352 PolarHBondContact ND1-ND1 3.33Å; L331-H352 HydrophobicContact CD1-CB 4.16Å; M332-H352 HydrophobicContact CE-CB 4.14Å; W335-H352 HydrophobicContact CH2-CB 3.96Å; W335-H352 HydrophobicContact CZ3-CB 4.22Å; H352-M354 WeakPolarHBondContact NE2-CB 3.48Å; H352-M354 PolarHBondContact O-N 3.03Å
353H97.5Very high94.8Very high5 Ų542 Ų422%0.02323%0.233CC..  trans-81.569.1172.7-76.1-110000109.8Y321 Y322 E351 R424 E499 G500Y321-H353 WeakPolarHBondContact O-CA 3.43Å; Y321-H353 PolarHBondContact O-N 3.36Å; Y322-H353 HydrophobicContact CD1-CB 3.58Å; Y322-H353 HydrophobicContact CD2-CB 4.36Å; Y322-H353 HydrophobicContact CE1-CB 3.44Å; Y322-H353 VanDerWaalsContact CE1-CB 3.44Å; Y322-H353 AromaticContact CE1-CG 3.94Å; Y322-H353 AromaticContact CE1-ND1 3.92Å; Y322-H353 HydrophobicContact CE2-CB 4.25Å; Y322-H353 HydrophobicContact CG-CB 4.05Å; Y322-H353 AromaticContact CZ-CG 3.87Å; Y322-H353 AromaticContact CZ-ND1 3.79Å; Y322-H353 PolarHBondContact OH-ND1 2.86Å; E351-H353 PolarHBondContact O-N 2.73Å; E351-H353 IonicContact OE2-CD2 2.72Å; E351-H353 IonicContact OE2-CE1 3.49Å; E351-H353 IonicContact OE2-NE2 3.68Å; E351-H353 PolarHBondContact OE2-NE2 3.37Å; H353-R424 VanDerWaalsContact C-NH1 3.31Å; H353-R424 PolarHBondContact ND1-NH2 3.22Å; H353-E499 VanDerWaalsContact CE1-C 3.47Å; H353-E499 PolarHBondContact CE1-O 3.2Å; H353-E499 VanDerWaalsContact CE1-O 3.32Å; H353-E499 PolarHBondContact ND1-O 3.13Å; H353-G500 WeakPolarHBondContact ND1-CA 3.44Å
354M95.9Very high94.4Very high64 Ų6448.1 Ų48.132%0.31526%0.26SS..  trans-65.8150.5-173.771.2-176.6124.800113.9I323 H352 R424 T425I323-M354 VanDerWaalsContact O-CA 3.24Å; I323-M354 WeakPolarHBondContact O-CA 3.11Å; H352-M354 WeakPolarHBondContact NE2-CB 3.48Å; H352-M354 PolarHBondContact O-N 3.03Å; M354-R424 VanDerWaalsContact N-NH1 3.13Å; M354-R424 PolarHBondContact O-NH1 2.88Å; M354-T425 HydrophobicContact CG-CG2 4.15Å
355F95.6Very high93.9Very high7 Ų751.5 Ų51.53%0.03128%0.282CS..BIsolated β-bridgetrans-130.3155.9168.353.4-101.2000113.3R120 I124 Y322 I323 D324 S325 R424R120-F355 HydrophobicContact CB-CD2 3.89Å; R120-F355 HydrophobicContact CB-CE2 4.01Å; R120-F355 HydrophobicContact CB-CG 4.24Å; R120-F355 HydrophobicContact CB-CZ 4.45Å; I124-F355 HydrophobicContact CD1-CB 3.99Å; I124-F355 HydrophobicContact CD1-CD1 4.26Å; I124-F355 HydrophobicContact CD1-CG 4.29Å; Y322-F355 WeakPolarHBondContact O-CE1 3.44Å; I323-F355 VanDerWaalsContact C-CE1 3.42Å; I323-F355 PolarHBondContact O-N 3.49Å; D324-F355 HydrophobicContact CB-CD2 4.42Å; D324-F355 HydrophobicContact CB-CE2 3.78Å; D324-F355 HydrophobicContact CB-CZ 4.23Å; D324-F355 VanDerWaalsContact N-CZ 3.32Å; S325-F355 WeakPolarHBondContact CB-O 3.44Å; S325-F355 PolarHBondContact N-O 3.04Å; S325-F355 PolarHBondContact OG-O 2.94Å; F355-R424 CarbonylContact C-O 3.59Å; F355-R424 WeakPolarHBondContact CA-O 3.4Å; F355-R424 HydrophobicContact CB-CB 4.2Å; F355-R424 VanDerWaalsContact CB-O 3.29Å; F355-R424 WeakPolarHBondContact CB-O 3.24Å
356G93.1Very high93.4Very high1 Ų151.5 Ų51.51%0.0128%0.277CS..  trans-77.8179.5176.100000112.9R120 R424R120-G356 WeakPolarHBondContact CD-O 3.29Å; R120-G356 PolarHBondContact NH1-O 3.36Å; G356-R424 PolarHBondContact N-O 2.85Å
357M91.4Very high92.9Very high54 Ų5450.9 Ų50.927%0.26627%0.272SS..  trans-80.7158.1179.6-63.5-175.3-64.800112.1L359 D427 Y428M357-L359 HydrophobicContact CB-CD2 4.15Å; M357-L359 HydrophobicContact CE-CD2 4.38Å; M357-D427 PolarHBondContact N-OD1 3.35Å; M357-D427 CarbonylContact O-C 3.56Å; M357-D427 VanDerWaalsContact O-CA 3.31Å; M357-D427 WeakPolarHBondContact O-CA 3.37Å; M357-Y428 PolarHBondContact O-N 3.5Å
358M90.7Very high92.1Very high13 Ų1348.6 Ų48.66%0.06426%0.255CS..EExtended strand (participates in β ladder)trans-90.6125.7164.5-166.6175.1-64.600109.7V116 L119 R120 F366 Y428 F430V116-M358 HydrophobicContact CB-CE 4.18Å; V116-M358 HydrophobicContact CB-SD 3.66Å; V116-M358 HydrophobicContact CG1-SD 4.03Å; V116-M358 HydrophobicContact CG2-CB 4.41Å; V116-M358 HydrophobicContact CG2-SD 4.2Å; L119-M358 HydrophobicContact CD2-CE 4.21Å; R120-M358 HydrophobicContact CG-CE 4.08Å; M358-F366 HydrophobicContact CG-CB 4.21Å; M358-F366 PolarHBondContact O-N 2.98Å; M358-F366 HydrophobicContact SD-CD1 4.17Å; M358-Y428 CarbonylContact C-O 3.54Å; M358-Y428 WeakPolarHBondContact CA-O 3.44Å; M358-Y428 HydrophobicContact CE-CD1 3.92Å; M358-Y428 HydrophobicContact CE-CE1 4.07Å; M358-Y428 HydrophobicContact CG-CD1 4.01Å; M358-Y428 HydrophobicContact CG-CE1 4.46Å; M358-Y428 HydrophobicContact SD-CD1 4.43Å; M358-Y428 HydrophobicContact SD-CE1 4.43Å; M358-F430 HydrophobicContact CG-CB 4.12Å; M358-F430 HydrophobicContact SD-CB 4.18Å; M358-F430 HydrophobicContact SD-CD2 3.82Å; M358-F430 HydrophobicContact SD-CG 4.31Å
359L91.9Very high91Very high18 Ų1861 Ų619%0.09430%0.3CS..EExtended strand (participates in β ladder)trans-114.8152.1-176.3-54.4-178.5000110.8M357 K364 D427 Y428 I429 F430M357-L359 HydrophobicContact CB-CD2 4.15Å; M357-L359 HydrophobicContact CE-CD2 4.38Å; L359-K364 CarbonylContact C-O 3.49Å; L359-K364 WeakPolarHBondContact CA-O 3.34Å; L359-D427 HydrophobicContact CD1-CB 3.64Å; L359-D427 HydrophobicContact CG-CB 4.06Å; L359-Y428 PolarHBondContact N-O 2.91Å; L359-I429 HydrophobicContact CB-CG1 4.42Å; L359-I429 WeakPolarHBondContact O-CA 3.3Å; L359-F430 PolarHBondContact O-N 2.65Å
360G90Very high89.9Confident7 Ų763.6 Ų63.67%0.07233%0.325CS..  trans-78.6175.416600000112.3D362 G363 K364G360-D362 PolarHBondContact O-N 2.95Å; G360-G363 PolarHBondContact O-N 3.07Å; G360-K364 PolarHBondContact N-O 3.45Å
361K87.1Confident88.9Confident127 Ų12764.5 Ų64.555%0.55234%0.34SS*.THydrogen-bonded Turntrans-58.1-17.4174.8-66.2-167.8178.9-164.60113.6G363 D431 D433K361-G363 VanDerWaalsContact C-N 3.35Å; K361-D431 WeakPolarHBondContact CE-OD1 3.47Å; K361-D431 WeakPolarHBondContact CE-OD2 3.4Å; K361-D431 IonicContact NZ-OD1 3.33Å; K361-D431 PolarHBondContact NZ-OD1 3.16Å; K361-D431 IonicContact NZ-OD2 2.82Å; K361-D431 PolarHBondContact NZ-OD2 3.03Å; K361-D431 VanDerWaalsContact NZ-OD2 3.08Å; K361-D433 IonicContact NZ-OD2 3.67Å; K361-D433 PolarHBondContact NZ-OD2 3.32Å
362D89.4Confident88Confident109 Ų10963.9 Ų63.958%0.58335%0.346SS*.THydrogen-bonded Turntrans-87.20.4176.469.4-16.4000114G360 K364G360-D362 PolarHBondContact O-N 2.95Å; D362-K364 PolarHBondContact O-N 2.84Å; D362-K364 PolarHBondContact OD1-N 3.34Å; D362-K364 WeakPolarHBondContact OD2-CD 3.42Å
363G90.2Very high87.2Confident42 Ų4266.5 Ų66.543%0.43336%0.364SS..SBendtrans74.98.3-178.200000114.4G360 K361G360-G363 PolarHBondContact O-N 3.07Å; K361-G363 VanDerWaalsContact C-N 3.35Å
364K89.9Confident86.7Confident134 Ų13467.1 Ų67.158%0.58337%0.368SS*.SBendtrans-99.3163176.9-64.2-178.2-173.8166.20110.8L359 G360 D362 F366L359-K364 CarbonylContact C-O 3.49Å; L359-K364 WeakPolarHBondContact CA-O 3.34Å; G360-K364 PolarHBondContact N-O 3.45Å; D362-K364 PolarHBondContact O-N 2.84Å; D362-K364 PolarHBondContact OD1-N 3.34Å; D362-K364 WeakPolarHBondContact OD2-CD 3.42Å; K364-F366 PolarHBondContact O-N 2.92Å
365P88.8Confident86.4Confident72 Ų7266.3 Ų66.347%0.46836%0.362SS..BIsolated β-bridgetrans-49.3130.2175.3-29.236.1000111.7K367P365-K367 WeakPolarHBondContact O-CG 3.26Å; P365-K367 PolarHBondContact O-N 3.4Å
366F87.4Confident86.2Confident45 Ų4566 Ų6620%0.19736%0.361CS..PPolyproline II helixtrans-63.8117-174.8-171-122.5000111V116 M358 K364 V374 L379 F430V116-F366 HydrophobicContact CG1-CD1 3.99Å; V116-F366 HydrophobicContact CG1-CE1 4.27Å; V116-F366 HydrophobicContact CG2-CD1 4.22Å; M358-F366 HydrophobicContact CG-CB 4.21Å; M358-F366 PolarHBondContact O-N 2.98Å; M358-F366 HydrophobicContact SD-CD1 4.17Å; K364-F366 PolarHBondContact O-N 2.92Å; F366-V374 HydrophobicContact CD1-CB 4.21Å; F366-V374 HydrophobicContact CD1-CG2 3.81Å; F366-V374 HydrophobicContact CE1-CB 4.14Å; F366-V374 HydrophobicContact CE1-CG1 4.05Å; F366-V374 HydrophobicContact CE1-CG2 3.78Å; F366-V374 HydrophobicContact CG-CG2 4.48Å; F366-V374 HydrophobicContact CZ-CG2 4.41Å; F366-L379 HydrophobicContact CE1-CD1 4.22Å; F366-F430 HydrophobicContact CD2-CB 4.32Å; F366-F430 HydrophobicContact CE1-CD1 4.1Å; F366-F430 HydrophobicContact CE1-CE1 4.5Å; F366-F430 HydrophobicContact CE1-CG 4.21Å; F366-F430 HydrophobicContact CE2-CB 4.27Å; F366-F430 AromaticContact CE2-CD1 3.87Å; F366-F430 HydrophobicContact CE2-CD1 3.87Å; F366-F430 HydrophobicContact CE2-CG 4.32Å; F366-F430 HydrophobicContact CZ-CB 4.42Å; F366-F430 AromaticContact CZ-CD1 3.52Å; F366-F430 HydrophobicContact CZ-CD1 3.52Å; F366-F430 AromaticContact CZ-CE1 3.98Å; F366-F430 HydrophobicContact CZ-CE1 3.98Å; F366-F430 HydrophobicContact CZ-CG 4.02Å
367K85Confident86.2Confident125 Ų12567.6 Ų67.654%0.54337%0.374SS..BIsolated β-bridgetrans-134.7156.9-172.8-76.8177.3168.6-150.70110.8P365 G371 G372P365-K367 WeakPolarHBondContact O-CG 3.26Å; P365-K367 PolarHBondContact O-N 3.4Å; K367-G371 WeakPolarHBondContact CD-O 3.5Å; K367-G371 PolarHBondContact NZ-O 2.83Å; K367-G372 CarbonylContact C-O 3.59Å; K367-G372 VanDerWaalsContact CA-O 3.29Å; K367-G372 WeakPolarHBondContact CA-O 3.49Å; K367-G372 WeakPolarHBondContact CB-O 3.28Å
368T80.2Confident86.2Confident53 Ų5369.1 Ų69.133%0.32538%0.383SS..  trans-63.9165.1171.168.40000110.3A370 G371 G372 T373 V374T368-A370 PolarHBondContact O-N 2.99Å; T368-A370 VanDerWaalsContact O-N 3.1Å; T368-G371 WeakPolarHBondContact O-CA 3.45Å; T368-G371 PolarHBondContact O-N 3.47Å; T368-G372 PolarHBondContact N-O 3.35Å; T368-G372 WeakPolarHBondContact OG1-CA 3.33Å; T368-G372 PolarHBondContact OG1-N 3.17Å; T368-G372 VanDerWaalsContact OG1-N 3.07Å; T368-G372 PolarHBondContact OG1-O 3.03Å; T368-T373 WeakPolarHBondContact CG2-O 3.48Å; T368-V374 HydrophobicContact CG2-CB 4.44Å; T368-V374 HydrophobicContact CG2-CG2 3.9Å
369R76Confident86.3Confident270 Ų27068.8 Ų68.8100%1.01938%0.381SS*.THydrogen-bonded Turntrans-56.8-26.5175.2-69.3-177-179.31771.4113.2G371R369-G371 VanDerWaalsContact C-N 3.29Å
370A74.3Confident86.4Confident101 Ų10167.9 Ų67.984%0.83538%0.377SS*.THydrogen-bonded Turntrans-83.4-0.3175.700000113.6T368 G372T368-A370 PolarHBondContact O-N 2.99Å; T368-A370 VanDerWaalsContact O-N 3.1Å; A370-G372 VanDerWaalsContact C-N 3.32Å
371G77.4Confident86.6Confident39 Ų3971.4 Ų71.440%0.40239%0.394SS..SBendtrans82.55-177.700000114.9K367 T368 R369K367-G371 WeakPolarHBondContact CD-O 3.5Å; K367-G371 PolarHBondContact NZ-O 2.83Å; T368-G371 WeakPolarHBondContact O-CA 3.45Å; T368-G371 PolarHBondContact O-N 3.47Å; R369-G371 VanDerWaalsContact C-N 3.29Å
372G78Confident86.9Confident34 Ų3468.6 Ų68.635%0.35138%0.383SS..PPolyproline II helixtrans-79.9171.8176.100000112.9K367 T368 A370K367-G372 CarbonylContact C-O 3.59Å; K367-G372 VanDerWaalsContact CA-O 3.29Å; K367-G372 WeakPolarHBondContact CA-O 3.49Å; K367-G372 WeakPolarHBondContact CB-O 3.28Å; T368-G372 PolarHBondContact N-O 3.35Å; T368-G372 WeakPolarHBondContact OG1-CA 3.33Å; T368-G372 PolarHBondContact OG1-N 3.17Å; T368-G372 VanDerWaalsContact OG1-N 3.07Å; T368-G372 PolarHBondContact OG1-O 3.03Å; A370-G372 VanDerWaalsContact C-N 3.32Å
373T81.5Confident87.2Confident77 Ų7763.4 Ų63.447%0.47236%0.355SS..BIsolated β-bridgetrans-70.8137174.9-55.50000110H115 T368 K375H115-T373 HydrophobicContact CB-CG2 3.2Å; T368-T373 WeakPolarHBondContact CG2-O 3.48Å; T373-K375 PolarHBondContact O-N 2.79Å
374V87.1Confident87.4Confident17 Ų1762.5 Ų62.510%0.10334%0.34CS..PPolyproline II helixtrans-77.4117.8175.3-177.20000109H115 V116 F366 T368 L379H115-V374 WeakPolarHBondContact CA-O 3.32Å; V116-V374 HydrophobicContact CG1-CB 4.08Å; V116-V374 HydrophobicContact CG1-CG1 4.23Å; F366-V374 HydrophobicContact CD1-CB 4.21Å; F366-V374 HydrophobicContact CD1-CG2 3.81Å; F366-V374 HydrophobicContact CE1-CB 4.14Å; F366-V374 HydrophobicContact CE1-CG1 4.05Å; F366-V374 HydrophobicContact CE1-CG2 3.78Å; F366-V374 HydrophobicContact CG-CG2 4.48Å; F366-V374 HydrophobicContact CZ-CG2 4.41Å; T368-V374 HydrophobicContact CG2-CB 4.44Å; T368-V374 HydrophobicContact CG2-CG2 3.9Å; V374-L379 HydrophobicContact CG1-CB 4.39Å
375K89.6Confident87.7Confident48 Ų4859.7 Ų59.721%0.20933%0.329CS..BIsolated β-bridgetrans-64137.4173.4-62.7178.4166-140.90109.5E113 E176 T373 A377 D378 L379E113-K375 IonicContact OE1-NZ 3.97Å; E113-K375 PolarHBondContact OE1-NZ 2.79Å; E113-K375 WeakPolarHBondContact OE2-CD 3.39Å; E113-K375 WeakPolarHBondContact OE2-CE 3.41Å; E113-K375 WeakPolarHBondContact OE2-CG 3.44Å; E113-K375 IonicContact OE2-NZ 3.92Å; E113-K375 PolarHBondContact OE2-NZ 2.81Å; E176-K375 WeakPolarHBondContact OE2-CE 3.37Å; E176-K375 IonicContact OE2-NZ 2.84Å; E176-K375 PolarHBondContact OE2-NZ 3.21Å; T373-K375 PolarHBondContact O-N 2.79Å; K375-A377 VanDerWaalsContact C-N 3.34Å; K375-D378 HydrophobicContact CB-CB 4.27Å; K375-L379 PolarHBondContact O-N 2.92Å
376L92.3Very high87.9Confident1 Ų159.6 Ų59.61%0.00532%0.32CS..Hα-helixtrans-66.8-38.8-179.9-177.749.3000111.3M114 L119 T228 L232 D378 L379 L380M114-L376 HydrophobicContact CB-CB 4.17Å; M114-L376 HydrophobicContact CB-CD2 4.14Å; M114-L376 HydrophobicContact CE-CD2 4.05Å; M114-L376 VanDerWaalsContact O-CB 3.29Å; M114-L376 WeakPolarHBondContact O-CB 3.23Å; M114-L376 PolarHBondContact O-N 3.32Å; L119-L376 HydrophobicContact CB-CD1 3.97Å; L119-L376 HydrophobicContact CB-CD2 4.11Å; L119-L376 HydrophobicContact CD1-CD1 4Å; L119-L376 HydrophobicContact CD1-CD2 4.41Å; L119-L376 HydrophobicContact CD2-CD1 3.89Å; L119-L376 HydrophobicContact CG-CD1 4.17Å; T228-L376 HydrophobicContact CG2-CB 4.46Å; T228-L376 HydrophobicContact CG2-CD2 3.57Å; T228-L376 HydrophobicContact CG2-CG 3.79Å; L232-L376 HydrophobicContact CD1-CD2 4.12Å; L376-D378 PolarHBondContact O-N 3.1Å; L376-L379 WeakPolarHBondContact O-CB 3.4Å; L376-L379 PolarHBondContact O-N 3.26Å; L376-L380 HydrophobicContact CD1-CD1 4.39Å; L376-L380 HydrophobicContact CD1-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.09Å; L376-L380 HydrophobicContact CG-CD1 4.27Å; L376-L380 HydrophobicContact CG-CG 4.42Å; L376-L380 WeakPolarHBondContact O-CG 3.41Å; L376-L380 PolarHBondContact O-N 2.92Å
377A92.2Very high88.2Confident33 Ų3357.5 Ų57.527%0.27331%0.31SS..Hα-helixtrans-55.6-50.6176.100000112.2K375 L379 L380 D381K375-A377 VanDerWaalsContact C-N 3.34Å; A377-L379 VanDerWaalsContact C-N 3.29Å; A377-L379 PolarHBondContact O-N 2.89Å; A377-L380 PolarHBondContact O-N 3.31Å; A377-L380 VanDerWaalsContact O-N 3.1Å; A377-D381 VanDerWaalsContact O-CG 3.27Å; A377-D381 PolarHBondContact O-N 2.84Å
378D91.5Very high88.7Confident87 Ų8754.6 Ų54.647%0.46530%0.296SS..Hα-helixtrans-59.3-38.7178-60.6-6.1000112.3K375 L376 D381 E382K375-D378 HydrophobicContact CB-CB 4.27Å; L376-D378 PolarHBondContact O-N 3.1Å; D378-D381 PolarHBondContact O-N 3Å; D378-E382 WeakPolarHBondContact O-CB 3.45Å; D378-E382 PolarHBondContact O-N 2.83Å
379L92.3Very high89.3Confident5 Ų557.6 Ų57.63%0.02630%0.301CS..Hα-helixtrans-64.2-44.4176.2-175.6153.8000110.9V116 F366 V374 K375 L376 A377 D381 E382 A383 V415 F430 W432V116-L379 HydrophobicContact CG1-CD1 3.62Å; F366-L379 HydrophobicContact CE1-CD1 4.22Å; V374-L379 HydrophobicContact CG1-CB 4.39Å; K375-L379 PolarHBondContact O-N 2.92Å; L376-L379 WeakPolarHBondContact O-CB 3.4Å; L376-L379 PolarHBondContact O-N 3.26Å; A377-L379 VanDerWaalsContact C-N 3.29Å; A377-L379 PolarHBondContact O-N 2.89Å; L379-D381 VanDerWaalsContact C-N 3.35Å; L379-E382 PolarHBondContact O-N 2.96Å; L379-A383 WeakPolarHBondContact O-CB 3.36Å; L379-A383 PolarHBondContact O-N 3.23Å; L379-V415 HydrophobicContact CD2-CG1 3.97Å; L379-V415 HydrophobicContact CD2-CG2 3.9Å; L379-F430 HydrophobicContact CD1-CD2 4.47Å; L379-F430 HydrophobicContact CD1-CE2 3.81Å; L379-F430 HydrophobicContact CD1-CZ 3.98Å; L379-F430 HydrophobicContact CD2-CE2 4.42Å; L379-F430 HydrophobicContact CG-CE2 4.38Å; L379-F430 HydrophobicContact CG-CZ 4.21Å; L379-W432 HydrophobicContact CD2-CH2 4.29Å; L379-W432 HydrophobicContact CG-CH2 4.14Å; L379-W432 HydrophobicContact CG-CZ2 4.29Å; L379-W432 WeakPolarHBondContact O-CH2 3.25Å
380L95Very high89.9Confident0 Ų046.7 Ų46.70%026%0.263CS..Hα-helixtrans-68.2-35.3179.1-61.6178.2000112T228 R231 L232 L376 A377 A383 L384 I412 V415T228-L380 HydrophobicContact CG2-CD1 4.17Å; R231-L380 HydrophobicContact CB-CD1 4.22Å; R231-L380 VanDerWaalsContact NH2-C 3.26Å; L232-L380 HydrophobicContact CD2-CD1 4.22Å; L232-L380 HydrophobicContact CD2-CD2 3.68Å; L232-L380 HydrophobicContact CG-CD1 3.98Å; L232-L380 HydrophobicContact CG-CD2 4.37Å; L376-L380 HydrophobicContact CD1-CD1 4.39Å; L376-L380 HydrophobicContact CD1-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.09Å; L376-L380 HydrophobicContact CG-CD1 4.27Å; L376-L380 HydrophobicContact CG-CG 4.42Å; L376-L380 WeakPolarHBondContact O-CG 3.41Å; L376-L380 PolarHBondContact O-N 2.92Å; A377-L380 PolarHBondContact O-N 3.31Å; A377-L380 VanDerWaalsContact O-N 3.1Å; L380-A383 PolarHBondContact O-N 3.3Å; L380-L384 WeakPolarHBondContact O-CB 3.4Å; L380-L384 PolarHBondContact O-N 2.69Å; L380-I412 HydrophobicContact CB-CD1 4.49Å; L380-I412 HydrophobicContact CD2-CD1 3.92Å; L380-V415 HydrophobicContact CD2-CG1 4.08Å; L380-V415 HydrophobicContact CD2-CG2 4.28Å
381D94.6Very high90.7Very high81 Ų8142 Ų4243%0.43322%0.224SC..Hα-helixtrans-63.7-45.9174.7-66.9-12000111.1R231 A377 D378 L379 A383 L384 E385R231-D381 IonicContact CZ-OD1 3.91Å; R231-D381 IonicContact NH1-OD1 2.73Å; R231-D381 PolarHBondContact NH1-OD1 2.78Å; R231-D381 IonicContact NH2-OD1 3.51Å; R231-D381 PolarHBondContact NH2-OD1 3.13Å; A377-D381 VanDerWaalsContact O-CG 3.27Å; A377-D381 PolarHBondContact O-N 2.84Å; D378-D381 PolarHBondContact O-N 3Å; L379-D381 VanDerWaalsContact C-N 3.35Å; D381-A383 PolarHBondContact O-N 3.2Å; D381-L384 PolarHBondContact O-N 2.69Å; D381-E385 WeakPolarHBondContact O-CB 3.22Å; D381-E385 PolarHBondContact O-N 3.15Å
382E93.4Very high91.4Very high67 Ų6741.9 Ų41.931%0.31322%0.219SC..Hα-helixtrans-64.8-38.7176.4-179.768.7-174.400111.8D378 L379 E385 R386 W432D378-E382 WeakPolarHBondContact O-CB 3.45Å; D378-E382 PolarHBondContact O-N 2.83Å; L379-E382 PolarHBondContact O-N 2.96Å; E382-E385 PolarHBondContact O-N 3.34Å; E382-R386 WeakPolarHBondContact O-CB 3.49Å; E382-R386 VanDerWaalsContact O-CG 3.28Å; E382-R386 WeakPolarHBondContact O-CG 3.4Å; E382-R386 PolarHBondContact O-N 2.93Å; E382-R386 IonicContact OE1-CZ 3.79Å; E382-R386 IonicContact OE1-NE 3.98Å; E382-R386 PolarHBondContact OE1-NE 2.96Å; E382-R386 IonicContact OE1-NH2 3.35Å; E382-R386 PolarHBondContact OE1-NH2 3.42Å; E382-W432 HydrophobicContact CB-CH2 4.09Å; E382-W432 HydrophobicContact CB-CZ2 3.76Å; E382-W432 HydrophobicContact CG-CH2 4.01Å; E382-W432 HydrophobicContact CG-CZ2 3.4Å
383A94.6Very high91.9Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-60.9-46.7175.800000111.5L379 L380 D381 R386 A387 V415 W432L379-A383 WeakPolarHBondContact O-CB 3.36Å; L379-A383 PolarHBondContact O-N 3.23Å; L380-A383 PolarHBondContact O-N 3.3Å; D381-A383 PolarHBondContact O-N 3.2Å; A383-R386 PolarHBondContact O-N 3.15Å; A383-A387 VanDerWaalsContact O-CB 3.32Å; A383-A387 WeakPolarHBondContact O-CB 3.46Å; A383-A387 PolarHBondContact O-N 2.88Å; A383-V415 HydrophobicContact CB-CG2 3.52Å; A383-W432 HydrophobicContact CB-CH2 3.73Å; A383-W432 HydrophobicContact CB-CZ3 3.62Å
384L95Very high92.2Very high24 Ų2449.2 Ų49.213%0.12624%0.237CC..Hα-helixtrans-63.6-45.4177.9178.762000111.3L380 D381 R386 A387 R388 A407 N408L380-L384 WeakPolarHBondContact O-CB 3.4Å; L380-L384 PolarHBondContact O-N 2.69Å; D381-L384 PolarHBondContact O-N 2.69Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.29Å; L384-A387 PolarHBondContact O-N 2.73Å; L384-R388 VanDerWaalsContact O-CB 3.29Å; L384-R388 WeakPolarHBondContact O-CB 3.26Å; L384-R388 PolarHBondContact O-N 3.38Å; L384-A407 HydrophobicContact CD1-CB 3.99Å; L384-N408 HydrophobicContact CD1-CB 4.16Å
385E95.4Very high92.2Very high74 Ų7450.2 Ų50.235%0.34624%0.242SC..Hα-helixtrans-65.3-36.9-179.7178.252.9-152.200112.7D381 E382 R388 R389D381-E385 WeakPolarHBondContact O-CB 3.22Å; D381-E385 PolarHBondContact O-N 3.15Å; E382-E385 PolarHBondContact O-N 3.34Å; E385-R388 IonicContact OE2-CZ 3.35Å; E385-R388 IonicContact OE2-NH1 2.79Å; E385-R388 PolarHBondContact OE2-NH1 3.07Å; E385-R389 WeakPolarHBondContact O-CG 2.73Å; E385-R389 PolarHBondContact O-N 3.46Å; E385-R389 PolarHBondContact O-NE 2.98Å; E385-R389 VanDerWaalsContact O-NE 3.08Å; E385-R389 IonicContact OE1-NE 2.69Å
386R94Very high92.1Very high71 Ų7152.8 Ų52.827%0.26826%0.264SS..Hα-helixtrans-68.7-44.8173.1-70174.4177.4-98.4-9.4111.8E382 A383 L384 R388 R389 L390 L436E382-R386 WeakPolarHBondContact O-CB 3.49Å; E382-R386 VanDerWaalsContact O-CG 3.28Å; E382-R386 WeakPolarHBondContact O-CG 3.4Å; E382-R386 PolarHBondContact O-N 2.93Å; E382-R386 IonicContact OE1-CZ 3.79Å; E382-R386 IonicContact OE1-NE 3.98Å; E382-R386 PolarHBondContact OE1-NE 2.96Å; E382-R386 IonicContact OE1-NH2 3.35Å; E382-R386 PolarHBondContact OE1-NH2 3.42Å; A383-R386 PolarHBondContact O-N 3.15Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.29Å; R386-R388 VanDerWaalsContact C-N 3.33Å; R386-R388 PolarHBondContact O-N 3Å; R386-R389 PolarHBondContact O-N 2.96Å; R386-L390 VanDerWaalsContact O-CB 3.3Å; R386-L390 WeakPolarHBondContact O-CB 3.46Å; R386-L390 PolarHBondContact O-N 3.35Å; R386-L390 VanDerWaalsContact O-N 3.08Å; R386-L436 HydrophobicContact CB-CD1 3.37Å; R386-L436 HydrophobicContact CG-CD1 4.23Å
387A94Very high92Very high0 Ų060.3 Ų60.30%030%0.304CS..Hα-helixtrans-61.8-41.1177.100000111.7A383 L384 L390 V391 A407 V410 L436A383-A387 VanDerWaalsContact O-CB 3.32Å; A383-A387 WeakPolarHBondContact O-CB 3.46Å; A383-A387 PolarHBondContact O-N 2.88Å; L384-A387 PolarHBondContact O-N 2.73Å; A387-L390 PolarHBondContact O-N 3.4Å; A387-V391 WeakPolarHBondContact O-CB 3.42Å; A387-V391 VanDerWaalsContact O-CG2 3.25Å; A387-V391 WeakPolarHBondContact O-CG2 3.27Å; A387-V391 PolarHBondContact O-N 3.03Å; A387-A407 WeakPolarHBondContact CB-O 3.27Å; A387-V410 HydrophobicContact CB-CB 4.22Å; A387-V410 HydrophobicContact CB-CG1 4Å; A387-L436 HydrophobicContact CB-CD2 4.25Å
388R94.3Very high91.9Very high65 Ų6560.1 Ų60.125%0.24530%0.298CS..Hα-helixtrans-58.4-50.9177-172.6-176.5-67.2110.11.3111.8L384 E385 R386 L390 V391 A392 L403 E404 A407L384-R388 VanDerWaalsContact O-CB 3.29Å; L384-R388 WeakPolarHBondContact O-CB 3.26Å; L384-R388 PolarHBondContact O-N 3.38Å; E385-R388 IonicContact OE2-CZ 3.35Å; E385-R388 IonicContact OE2-NH1 2.79Å; E385-R388 PolarHBondContact OE2-NH1 3.07Å; R386-R388 VanDerWaalsContact C-N 3.33Å; R386-R388 PolarHBondContact O-N 3Å; R388-L390 VanDerWaalsContact C-N 3.32Å; R388-L390 PolarHBondContact O-N 3.27Å; R388-V391 PolarHBondContact O-N 3.35Å; R388-A392 VanDerWaalsContact O-CB 3.24Å; R388-A392 WeakPolarHBondContact O-CB 3.45Å; R388-A392 PolarHBondContact O-N 3.19Å; R388-L403 HydrophobicContact CG-CD2 3.66Å; R388-E404 IonicContact CZ-OE1 2.76Å; R388-E404 IonicContact CZ-OE2 3.05Å; R388-E404 VanDerWaalsContact CZ-OE2 3.28Å; R388-E404 IonicContact NE-OE2 2.85Å; R388-E404 PolarHBondContact NE-OE2 3.31Å; R388-E404 IonicContact NH2-OE1 2.81Å; R388-E404 PolarHBondContact NH2-OE1 3.12Å; R388-E404 IonicContact NH2-OE2 3.08Å; R388-E404 PolarHBondContact NH2-OE2 3.41Å; R388-A407 HydrophobicContact CB-CB 3.93Å; R388-A407 HydrophobicContact CG-CB 4.42Å
389R92.7Very high92Very high116 Ų11659.2 Ų59.244%0.43830%0.297SS..Hα-helixtrans-57.1-48.4176.5-75178-78.9175-8.7111.4E385 R386 V391 A392 E393E385-R389 WeakPolarHBondContact O-CG 2.73Å; E385-R389 PolarHBondContact O-N 3.46Å; E385-R389 PolarHBondContact O-NE 2.98Å; E385-R389 VanDerWaalsContact O-NE 3.08Å; E385-R389 IonicContact OE1-NE 2.69Å; R386-R389 PolarHBondContact O-N 2.96Å; R389-V391 PolarHBondContact O-N 2.93Å; R389-A392 PolarHBondContact O-N 3.36Å; R389-E393 WeakPolarHBondContact O-CG 3.41Å; R389-E393 PolarHBondContact O-N 2.72Å
390L89.7Confident91.9Very high40 Ų4063 Ų6321%0.20933%0.328CS..Hα-helixtrans-64.6-41.4-177.1-179.869000112.9R386 A387 R388 L436 F438R386-L390 VanDerWaalsContact O-CB 3.3Å; R386-L390 WeakPolarHBondContact O-CB 3.46Å; R386-L390 PolarHBondContact O-N 3.35Å; R386-L390 VanDerWaalsContact O-N 3.08Å; A387-L390 PolarHBondContact O-N 3.4Å; R388-L390 VanDerWaalsContact C-N 3.32Å; R388-L390 PolarHBondContact O-N 3.27Å; L390-L436 HydrophobicContact CD2-CB 4.41Å; L390-L436 VanDerWaalsContact CD2-O 3.31Å; L390-L436 WeakPolarHBondContact CD2-O 3.43Å; L390-F438 HydrophobicContact CD1-CD2 4.23Å; L390-F438 HydrophobicContact CD1-CE2 3.84Å; L390-F438 HydrophobicContact CD2-CD2 3.96Å; L390-F438 HydrophobicContact CD2-CE2 3.43Å; L390-F438 VanDerWaalsContact CD2-CE2 3.43Å; L390-F438 HydrophobicContact CD2-CZ 4.33Å; L390-F438 HydrophobicContact CG-CD2 4.28Å; L390-F438 HydrophobicContact CG-CE2 3.52Å; L390-F438 HydrophobicContact CG-CZ 4.42Å
391V90.4Very high91.8Very high2 Ų267.8 Ų67.81%0.01235%0.354CS..Hα-helixtrans-69.5-42.6176.9169.40000110.8A387 R388 R389 E393 K394 N395 L403 L406 V410A387-V391 WeakPolarHBondContact O-CB 3.42Å; A387-V391 VanDerWaalsContact O-CG2 3.25Å; A387-V391 WeakPolarHBondContact O-CG2 3.27Å; A387-V391 PolarHBondContact O-N 3.03Å; R388-V391 PolarHBondContact O-N 3.35Å; R389-V391 PolarHBondContact O-N 2.93Å; V391-E393 VanDerWaalsContact C-N 3.33Å; V391-E393 PolarHBondContact O-N 2.94Å; V391-K394 PolarHBondContact O-N 2.68Å; V391-N395 PolarHBondContact O-N 3.18Å; V391-N395 PolarHBondContact O-ND2 2.88Å; V391-L403 HydrophobicContact CG1-CG 4.24Å; V391-L406 HydrophobicContact CG1-CB 4.23Å; V391-L406 HydrophobicContact CG1-CD2 3.4Å; V391-L406 VanDerWaalsContact CG1-CD2 3.4Å; V391-L406 HydrophobicContact CG1-CG 3.69Å; V391-L406 HydrophobicContact CG2-CD2 4.38Å; V391-L406 HydrophobicContact CG2-CG 4.02Å; V391-V410 HydrophobicContact CG2-CG2 4.24Å
392A91.7Very high91.7Very high38 Ų3867.2 Ų67.231%0.31435%0.349SS..Hα-helixtrans-61-40.5178.300000112.4R388 R389 K394 N395 L403R388-A392 VanDerWaalsContact O-CB 3.24Å; R388-A392 WeakPolarHBondContact O-CB 3.45Å; R388-A392 PolarHBondContact O-N 3.19Å; R389-A392 PolarHBondContact O-N 3.36Å; A392-K394 VanDerWaalsContact C-N 3.27Å; A392-K394 PolarHBondContact O-N 2.68Å; A392-N395 CarbonylContact O-C 3.43Å; A392-N395 PolarHBondContact O-N 2.8Å; A392-L403 HydrophobicContact CB-CD1 3.88Å
393E89.8Confident91.7Very high153 Ų15365.2 Ų65.272%0.71534%0.34SS*.Hα-helixtrans-62-33.8176.5-77175.2-17500112.7R389 V391R389-E393 WeakPolarHBondContact O-CG 3.41Å; R389-E393 PolarHBondContact O-N 2.72Å; V391-E393 VanDerWaalsContact C-N 3.33Å; V391-E393 PolarHBondContact O-N 2.94Å
394K86.3Confident91.6Very high111 Ų11168.5 Ų68.548%0.48336%0.356SS..Hα-helixtrans-86.9-26.2179.7-71.1-170.8174.4-1410113.9V391 A392 F438V391-K394 PolarHBondContact O-N 2.68Å; A392-K394 VanDerWaalsContact C-N 3.27Å; A392-K394 PolarHBondContact O-N 2.68Å; K394-F438 HydrophobicContact CD-CD2 4.21Å; K394-F438 HydrophobicContact CD-CE1 4.16Å; K394-F438 HydrophobicContact CD-CE2 3.59Å; K394-F438 HydrophobicContact CD-CZ 3.6Å; K394-F438 VanDerWaalsContact CE-CD2 3.48Å
395N87.1Confident91.5Very high38 Ų3874.4 Ų74.420%0.20338%0.38CS..  trans-13065.6-175.1-63.8-78000111.1V391 A392 D397 M398 M563V391-N395 PolarHBondContact O-N 3.18Å; V391-N395 PolarHBondContact O-ND2 2.88Å; A392-N395 CarbonylContact O-C 3.43Å; A392-N395 PolarHBondContact O-N 2.8Å; N395-D397 PolarHBondContact O-N 3.33Å; N395-D397 VanDerWaalsContact O-N 3.13Å; N395-M398 HydrophobicContact CB-CB 3.96Å; N395-M398 HydrophobicContact CB-CE 4.06Å; N395-M398 HydrophobicContact CB-SD 4.45Å; N395-M398 WeakPolarHBondContact O-CB 3.41Å; N395-M398 PolarHBondContact O-N 3.06Å; N395-M398 VanDerWaalsContact O-N 3.17Å; N395-M563 PolarHBondContact ND2-OXT 3.31Å; N395-M563 PolarHBondContact OD1-OXT 2.7Å
396P88Confident91.5Very high103 Ų10371.1 Ų71.167%0.66937%0.365SS*.THydrogen-bonded Turntrans-62.8-24.1-172.925.2-35.2000113.9
397D90.3Very high91.5Very high158 Ų15867.8 Ų67.885%0.84535%0.352SS*.THydrogen-bonded Turntrans-97.44.9-177.1-57.8-48.3000113.5N395N395-D397 PolarHBondContact O-N 3.33Å; N395-D397 VanDerWaalsContact O-N 3.13Å
398M90.2Very high91.5Very high30 Ų3070.2 Ų70.215%0.14837%0.366CS..SBendtrans-73.1135-178.6-176.6173.2-77.900111.5N395 E402 L403 L406N395-M398 HydrophobicContact CB-CB 3.96Å; N395-M398 HydrophobicContact CB-CE 4.06Å; N395-M398 HydrophobicContact CB-SD 4.45Å; N395-M398 WeakPolarHBondContact O-CB 3.41Å; N395-M398 PolarHBondContact O-N 3.06Å; N395-M398 VanDerWaalsContact O-N 3.17Å; M398-E402 HydrophobicContact CE-CG 4.33Å; M398-E402 HydrophobicContact CG-CB 3.87Å; M398-E402 HydrophobicContact CG-CG 3.99Å; M398-E402 HydrophobicContact SD-CB 4.24Å; M398-E402 HydrophobicContact SD-CG 3.91Å; M398-L403 HydrophobicContact CG-CB 4.13Å; M398-L403 HydrophobicContact SD-CB 4.09Å; M398-L406 HydrophobicContact CE-CD2 3.75Å; M398-L406 HydrophobicContact SD-CB 4.47Å; M398-L406 HydrophobicContact SD-CD2 3.84Å
399P92.5Very high91.6Very high68 Ų6867.4 Ų67.444%0.44236%0.356SS..  trans-55.2143.4173.1-26.135.6000112.4D401 E402 L403P399-D401 VanDerWaalsContact C-N 3.26Å; P399-D401 VanDerWaalsContact CB-OD1 3.31Å; P399-D401 WeakPolarHBondContact CB-OD1 3.5Å; P399-D401 PolarHBondContact O-N 3.5Å; P399-E402 HydrophobicContact CB-CB 4.4Å; P399-E402 PolarHBondContact O-N 2.85Å; P399-E402 VanDerWaalsContact O-N 3.13Å; P399-L403 WeakPolarHBondContact O-CB 3.42Å; P399-L403 PolarHBondContact O-N 2.83Å
400A91.6Very high91.7Very high83 Ų8361.9 Ų61.969%0.68634%0.335SS*.Hα-helixtrans-59.4-34.1-173.100000113.8E404A400-E404 WeakPolarHBondContact O-CB 3.43Å; A400-E404 PolarHBondContact O-N 3.34Å
401D92.1Very high92Very high102 Ų10260 Ų6055%0.54533%0.326SS..Hα-helixtrans-74-36.4178.165.9-48.5000112.8P399 K405P399-D401 VanDerWaalsContact C-N 3.26Å; P399-D401 VanDerWaalsContact CB-OD1 3.31Å; P399-D401 WeakPolarHBondContact CB-OD1 3.5Å; P399-D401 PolarHBondContact O-N 3.5Å; D401-K405 WeakPolarHBondContact O-CG 3.5Å; D401-K405 PolarHBondContact O-N 3.18Å
402E92.5Very high92.3Very high68 Ų6860.3 Ų60.332%0.31833%0.327SS..Hα-helixtrans-69.5-41.2172.7-170.4176179.200110.9M398 P399 E404 K405 L406M398-E402 HydrophobicContact CE-CG 4.33Å; M398-E402 HydrophobicContact CG-CB 3.87Å; M398-E402 HydrophobicContact CG-CG 3.99Å; M398-E402 HydrophobicContact SD-CB 4.24Å; M398-E402 HydrophobicContact SD-CG 3.91Å; P399-E402 HydrophobicContact CB-CB 4.4Å; P399-E402 PolarHBondContact O-N 2.85Å; P399-E402 VanDerWaalsContact O-N 3.13Å; E402-E404 VanDerWaalsContact C-N 3.35Å; E402-E404 PolarHBondContact O-N 3.35Å; E402-K405 PolarHBondContact O-N 2.57Å; E402-L406 WeakPolarHBondContact O-CB 3.48Å; E402-L406 PolarHBondContact O-N 3.42Å
403L92.9Very high92.6Very high26 Ų2658.6 Ų58.614%0.13631%0.313CS..Hα-helixtrans-60.7-44176.3-170.9154.2000111.3R388 V391 A392 M398 P399 L406 A407R388-L403 HydrophobicContact CG-CD2 3.66Å; V391-L403 HydrophobicContact CG1-CG 4.24Å; A392-L403 HydrophobicContact CB-CD1 3.88Å; M398-L403 HydrophobicContact CG-CB 4.13Å; M398-L403 HydrophobicContact SD-CB 4.09Å; P399-L403 WeakPolarHBondContact O-CB 3.42Å; P399-L403 PolarHBondContact O-N 2.83Å; L403-L406 PolarHBondContact O-N 2.94Å; L403-A407 VanDerWaalsContact O-CB 3.23Å; L403-A407 WeakPolarHBondContact O-CB 3.39Å; L403-A407 PolarHBondContact O-N 3.18Å
404E93.5Very high92.9Very high69 Ų6951.3 Ų51.332%0.32228%0.279SS..Hα-helixtrans-65.2-42.7179.1-172.559.5-158.500112R388 A400 E402 L406 A407 N408R388-E404 IonicContact CZ-OE1 2.76Å; R388-E404 IonicContact CZ-OE2 3.05Å; R388-E404 VanDerWaalsContact CZ-OE2 3.28Å; R388-E404 IonicContact NE-OE2 2.85Å; R388-E404 PolarHBondContact NE-OE2 3.31Å; R388-E404 IonicContact NH2-OE1 2.81Å; R388-E404 PolarHBondContact NH2-OE1 3.12Å; R388-E404 IonicContact NH2-OE2 3.08Å; R388-E404 PolarHBondContact NH2-OE2 3.41Å; A400-E404 WeakPolarHBondContact O-CB 3.43Å; A400-E404 PolarHBondContact O-N 3.34Å; E402-E404 VanDerWaalsContact C-N 3.35Å; E402-E404 PolarHBondContact O-N 3.35Å; E404-L406 PolarHBondContact O-N 3.13Å; E404-A407 PolarHBondContact O-N 2.9Å; E404-N408 WeakPolarHBondContact O-CB 3.38Å; E404-N408 PolarHBondContact O-N 3.27Å
405K93.3Very high93.4Very high147 Ų14746.2 Ų46.264%0.63926%0.257SS*.Hα-helixtrans-61.5-44.6174.6-73.6170.9-177.51690111.6D401 E402 N408 A409D401-K405 WeakPolarHBondContact O-CG 3.5Å; D401-K405 PolarHBondContact O-N 3.18Å; E402-K405 PolarHBondContact O-N 2.57Å; K405-N408 PolarHBondContact O-N 2.83Å; K405-A409 PolarHBondContact O-N 3.26Å
406L93.8Very high93.9Very high6 Ų644.4 Ų44.43%0.03125%0.248CC..Hα-helixtrans-64.8-44.7177.717954.9000111V391 M398 E402 L403 E404 N408 A409 V410 V560 M563V391-L406 HydrophobicContact CG1-CB 4.23Å; V391-L406 HydrophobicContact CG1-CD2 3.4Å; V391-L406 VanDerWaalsContact CG1-CD2 3.4Å; V391-L406 HydrophobicContact CG1-CG 3.69Å; V391-L406 HydrophobicContact CG2-CD2 4.38Å; V391-L406 HydrophobicContact CG2-CG 4.02Å; M398-L406 HydrophobicContact CE-CD2 3.75Å; M398-L406 HydrophobicContact SD-CB 4.47Å; M398-L406 HydrophobicContact SD-CD2 3.84Å; E402-L406 WeakPolarHBondContact O-CB 3.48Å; E402-L406 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 2.94Å; E404-L406 PolarHBondContact O-N 3.13Å; L406-N408 VanDerWaalsContact C-N 3.31Å; L406-N408 PolarHBondContact O-N 3.29Å; L406-A409 PolarHBondContact O-N 3.04Å; L406-V410 HydrophobicContact CD1-CG2 3.86Å; L406-V410 HydrophobicContact CG-CG2 4.39Å; L406-V410 WeakPolarHBondContact O-CB 3.28Å; L406-V410 WeakPolarHBondContact O-CG2 3.46Å; L406-V410 PolarHBondContact O-N 3.37Å; L406-V560 HydrophobicContact CD1-CB 3.99Å; L406-V560 HydrophobicContact CD1-CG1 3.72Å; L406-V560 HydrophobicContact CD1-CG2 3.79Å; L406-M563 HydrophobicContact CD1-CB 4.42Å; L406-M563 HydrophobicContact CD1-CE 4.39Å; L406-M563 HydrophobicContact CD1-CG 4.2Å; L406-M563 HydrophobicContact CD2-CG 4.41Å
407A94.7Very high94.4Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-59.3-41.3175.900000111.9L384 A387 R388 L403 E404 G411L384-A407 HydrophobicContact CD1-CB 3.99Å; A387-A407 WeakPolarHBondContact CB-O 3.27Å; R388-A407 HydrophobicContact CB-CB 3.93Å; R388-A407 HydrophobicContact CG-CB 4.42Å; L403-A407 VanDerWaalsContact O-CB 3.23Å; L403-A407 WeakPolarHBondContact O-CB 3.39Å; L403-A407 PolarHBondContact O-N 3.18Å; E404-A407 PolarHBondContact O-N 2.9Å; A407-G411 PolarHBondContact O-N 3.02Å
408N95Very high94.6Very high52 Ų5232.6 Ų32.628%0.27818%0.18SC..Hα-helixtrans-63.6-51.3175.8-173.372.3000112L384 E404 K405 L406 V410 G411 I412L384-N408 HydrophobicContact CD1-CB 4.16Å; E404-N408 WeakPolarHBondContact O-CB 3.38Å; E404-N408 PolarHBondContact O-N 3.27Å; K405-N408 PolarHBondContact O-N 2.83Å; L406-N408 VanDerWaalsContact C-N 3.31Å; L406-N408 PolarHBondContact O-N 3.29Å; N408-V410 VanDerWaalsContact C-N 3.28Å; N408-V410 PolarHBondContact O-N 2.94Å; N408-G411 PolarHBondContact O-N 3.5Å; N408-I412 WeakPolarHBondContact O-CB 3.33Å; N408-I412 WeakPolarHBondContact O-CG1 3.47Å; N408-I412 PolarHBondContact O-N 3.08Å
409A95.7Very high94.8Very high5 Ų531.2 Ų31.24%0.04117%0.174CC..Hα-helixtrans-58.6-41.4178.900000111.8K405 L406 G413 Q447 E558 V560K405-A409 PolarHBondContact O-N 3.26Å; L406-A409 PolarHBondContact O-N 3.04Å; A409-G413 WeakPolarHBondContact O-CA 3.49Å; A409-G413 PolarHBondContact O-N 3.08Å; A409-Q447 PolarHBondContact O-NE2 3.33Å; A409-E558 HydrophobicContact CB-CB 4.29Å; A409-V560 HydrophobicContact CB-CG1 3.61Å
410V95.3Very high95.1Very high0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-70.2-48.2178.9173.40000111.8A387 V391 L406 N408 A414 L436 P444 M563A387-V410 HydrophobicContact CB-CB 4.22Å; A387-V410 HydrophobicContact CB-CG1 4Å; V391-V410 HydrophobicContact CG2-CG2 4.24Å; L406-V410 HydrophobicContact CD1-CG2 3.86Å; L406-V410 HydrophobicContact CG-CG2 4.39Å; L406-V410 WeakPolarHBondContact O-CB 3.28Å; L406-V410 WeakPolarHBondContact O-CG2 3.46Å; L406-V410 PolarHBondContact O-N 3.37Å; N408-V410 VanDerWaalsContact C-N 3.28Å; N408-V410 PolarHBondContact O-N 2.94Å; V410-A414 VanDerWaalsContact O-CB 3.23Å; V410-A414 WeakPolarHBondContact O-CB 3.31Å; V410-A414 PolarHBondContact O-N 3.3Å; V410-L436 HydrophobicContact CG1-CD2 4.46Å; V410-P444 HydrophobicContact CG1-CB 4.42Å; V410-P444 HydrophobicContact CG1-CG 4.03Å; V410-M563 HydrophobicContact CG1-CE 4.45Å; V410-M563 HydrophobicContact CG2-CE 3.32Å
411G95.9Very high95.3Very high1 Ų125 Ų251%0.0113%0.126CC..Hα-helixtrans-65-51.1-176.800000112.3A407 N408 A414 V415A407-G411 PolarHBondContact O-N 3.02Å; N408-G411 PolarHBondContact O-N 3.5Å; G411-A414 PolarHBondContact O-N 3.44Å; G411-V415 WeakPolarHBondContact O-CG2 3.37Å; G411-V415 PolarHBondContact O-N 2.8Å; G411-V415 VanDerWaalsContact O-N 3.1Å
412I97Very high95.5Very high9 Ų924.2 Ų24.25%0.04612%0.118CC..Hα-helixtrans-67.9-41.2178.4-58.5-59.4000110.7R231 L232 L380 N408 A414 V415 K416R231-I412 WeakPolarHBondContact O-CD1 3.4Å; R231-I412 WeakPolarHBondContact O-CG1 3.27Å; L232-I412 HydrophobicContact CD2-CG2 4.45Å; L380-I412 HydrophobicContact CB-CD1 4.49Å; L380-I412 HydrophobicContact CD2-CD1 3.92Å; N408-I412 WeakPolarHBondContact O-CB 3.33Å; N408-I412 WeakPolarHBondContact O-CG1 3.47Å; N408-I412 PolarHBondContact O-N 3.08Å; I412-A414 VanDerWaalsContact C-N 3.31Å; I412-A414 PolarHBondContact O-N 3.44Å; I412-V415 PolarHBondContact O-N 2.73Å; I412-K416 PolarHBondContact O-N 2.89Å
413G97.2Very high95.7Very high2 Ų224 Ų242%0.02112%0.119CC..Hα-helixtrans-55.7-46173.900000112A409 K416 Y417 A443A409-G413 WeakPolarHBondContact O-CA 3.49Å; A409-G413 PolarHBondContact O-N 3.08Å; G413-K416 PolarHBondContact O-N 2.72Å; G413-Y417 VanDerWaalsContact O-CB 3.27Å; G413-Y417 WeakPolarHBondContact O-CB 2.99Å; G413-Y417 PolarHBondContact O-N 3.02Å; G413-A443 VanDerWaalsContact O-CB 3.26Å; G413-A443 WeakPolarHBondContact O-CB 2.98Å
414A96.7Very high95.8Very high0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-62.4-44.1177.800000112.2V410 G411 I412 K416 A418 M435 L436V410-A414 VanDerWaalsContact O-CB 3.23Å; V410-A414 WeakPolarHBondContact O-CB 3.31Å; V410-A414 PolarHBondContact O-N 3.3Å; G411-A414 PolarHBondContact O-N 3.44Å; I412-A414 VanDerWaalsContact C-N 3.31Å; I412-A414 PolarHBondContact O-N 3.44Å; A414-K416 PolarHBondContact O-N 3.48Å; A414-A418 WeakPolarHBondContact O-CB 3.21Å; A414-A418 PolarHBondContact O-N 3.25Å; A414-M435 VanDerWaalsContact C-CE 3.46Å; A414-M435 HydrophobicContact CB-CE 4.1Å; A414-M435 WeakPolarHBondContact CB-O 3.34Å; A414-M435 WeakPolarHBondContact O-CE 3.47Å; A414-L436 HydrophobicContact CB-CD2 3.62Å; A414-L436 HydrophobicContact CB-CG 4.24Å
415V96.3Very high95.9Very high4 Ų424 Ų242%0.02412%0.122CC..Hα-helixtrans-57.8-47.6176.3172.80000111.2L119 L379 L380 A383 G411 I412 M435L119-V415 HydrophobicContact CD1-CG1 4.25Å; L119-V415 HydrophobicContact CD2-CG1 3.82Å; L379-V415 HydrophobicContact CD2-CG1 3.97Å; L379-V415 HydrophobicContact CD2-CG2 3.9Å; L380-V415 HydrophobicContact CD2-CG1 4.08Å; L380-V415 HydrophobicContact CD2-CG2 4.28Å; A383-V415 HydrophobicContact CB-CG2 3.52Å; G411-V415 WeakPolarHBondContact O-CG2 3.37Å; G411-V415 PolarHBondContact O-N 2.8Å; G411-V415 VanDerWaalsContact O-N 3.1Å; I412-V415 PolarHBondContact O-N 2.73Å; V415-M435 HydrophobicContact CB-CE 4.12Å; V415-M435 HydrophobicContact CG2-CE 3.67Å
416K97.6Very high95.9Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-65.3-55.4177.7-72-166.9172.6-177.40112.2I123 D126 L232 N233 I412 G413 A414 A418 D419 L420 L555 G556 I557I123-K416 HydrophobicContact CB-CG 4.46Å; I123-K416 HydrophobicContact CG2-CG 4.02Å; D126-K416 IonicContact OD2-NZ 2.91Å; L232-K416 WeakPolarHBondContact O-CE 3.4Å; L232-K416 PolarHBondContact O-NZ 2.9Å; N233-K416 PolarHBondContact O-NZ 3.29Å; I412-K416 PolarHBondContact O-N 2.89Å; G413-K416 PolarHBondContact O-N 2.72Å; A414-K416 PolarHBondContact O-N 3.48Å; K416-A418 VanDerWaalsContact C-N 3.29Å; K416-A418 PolarHBondContact O-N 2.61Å; K416-D419 PolarHBondContact O-N 3.01Å; K416-L420 HydrophobicContact CB-CD1 4.06Å; K416-L420 WeakPolarHBondContact O-CB 3.32Å; K416-L420 VanDerWaalsContact O-CG 3.23Å; K416-L420 WeakPolarHBondContact O-CG 3.42Å; K416-L420 PolarHBondContact O-N 3.01Å; K416-L555 WeakPolarHBondContact CD-O 3.5Å; K416-G556 WeakPolarHBondContact CD-O 3.37Å; K416-G556 PolarHBondContact NZ-O 2.83Å; K416-I557 HydrophobicContact CB-CD1 4.28Å; K416-I557 HydrophobicContact CB-CG1 4.09Å; K416-I557 HydrophobicContact CD-CG1 4.21Å
417Y97.6Very high95.9Very high1 Ų123.6 Ų23.60%0.00413%0.129CC..Hα-helixtrans-64-35.1-171.2-161.1-84.2000112.6G413 D419 L420 S421 N441 A443 M446 C506 L555 I557G413-Y417 VanDerWaalsContact O-CB 3.27Å; G413-Y417 WeakPolarHBondContact O-CB 2.99Å; G413-Y417 PolarHBondContact O-N 3.02Å; Y417-D419 VanDerWaalsContact C-N 3.27Å; Y417-D419 PolarHBondContact O-N 3.33Å; Y417-L420 PolarHBondContact O-N 3.34Å; Y417-S421 WeakPolarHBondContact O-CB 3.22Å; Y417-S421 PolarHBondContact O-N 3.37Å; Y417-S421 PolarHBondContact O-OG 3.4Å; Y417-N441 WeakPolarHBondContact CE1-O 3.35Å; Y417-N441 VanDerWaalsContact CE1-OD1 3.27Å; Y417-N441 WeakPolarHBondContact CE1-OD1 3.48Å; Y417-N441 PolarHBondContact OH-OD1 2.89Å; Y417-A443 HydrophobicContact CG-CB 4.12Å; Y417-M446 HydrophobicContact CE2-CG 3.85Å; Y417-C506 HydrophobicContact CE1-CB 4.28Å; Y417-C506 HydrophobicContact CE2-CB 4.03Å; Y417-C506 WeakPolarHBondContact OH-CB 3.45Å; Y417-C506 PolarHBondContact OH-O 3.33Å; Y417-L555 HydrophobicContact CD2-CD1 4.37Å; Y417-L555 HydrophobicContact CE2-CD1 4.27Å; Y417-I557 HydrophobicContact CD2-CD1 3.62Å; Y417-I557 HydrophobicContact CG-CD1 4.23Å
418A95.6Very high95.6Very high11 Ų1124.4 Ų24.49%0.09113%0.132CC..Hα-helixtrans-63-34-178.300000112.9A414 K416 S421 K422 Y428 M435A414-A418 WeakPolarHBondContact O-CB 3.21Å; A414-A418 PolarHBondContact O-N 3.25Å; K416-A418 VanDerWaalsContact C-N 3.29Å; K416-A418 PolarHBondContact O-N 2.61Å; A418-S421 PolarHBondContact O-OG 3.38Å; A418-K422 WeakPolarHBondContact O-CG 3.32Å; A418-Y428 VanDerWaalsContact CB-OH 3.31Å; A418-Y428 WeakPolarHBondContact CB-OH 3.29Å; A418-Y428 WeakPolarHBondContact O-CE2 3.3Å; A418-M435 HydrophobicContact CB-CB 3.5Å; A418-M435 VanDerWaalsContact CB-CB 3.5Å; A418-M435 HydrophobicContact CB-CE 4.35Å
419D95Very high95.5Very high2 Ų226.3 Ų26.31%0.01114%0.142CC..Hα-helixtrans-82.8-52.7171.6-169.9-27000111R120 I123 K416 Y417 S421 K422 Y428R120-D419 WeakPolarHBondContact CD-OD2 3.29Å; R120-D419 WeakPolarHBondContact CG-OD2 3.31Å; R120-D419 IonicContact CZ-OD1 3.44Å; R120-D419 IonicContact CZ-OD2 3.34Å; R120-D419 IonicContact NE-OD1 2.68Å; R120-D419 PolarHBondContact NE-OD1 2.93Å; R120-D419 VanDerWaalsContact NE-OD1 3.14Å; R120-D419 IonicContact NE-OD2 3.96Å; R120-D419 PolarHBondContact NE-OD2 3.34Å; R120-D419 IonicContact NH2-OD1 2.68Å; R120-D419 PolarHBondContact NH2-OD1 2.89Å; R120-D419 IonicContact NH2-OD2 2.94Å; I123-D419 HydrophobicContact CD1-CB 3.61Å; K416-D419 PolarHBondContact O-N 3.01Å; Y417-D419 VanDerWaalsContact C-N 3.27Å; Y417-D419 PolarHBondContact O-N 3.33Å; D419-S421 PolarHBondContact O-N 3.36Å; D419-S421 VanDerWaalsContact O-N 3.09Å; D419-K422 WeakPolarHBondContact O-CB 3.41Å; D419-K422 PolarHBondContact O-N 3.32Å; D419-Y428 HydrophobicContact CB-CD1 4.38Å; D419-Y428 HydrophobicContact CB-CE1 4.36Å
420L97.5Very high95.2Very high3 Ų326.6 Ų26.62%0.01614%0.142CC..Hα-helixtrans-59.1-29.5-174.5-66.3174.4000113.1I123 I124 A127 K416 Y417 K422 P502 H503 L555I123-L420 HydrophobicContact CB-CD2 4.48Å; I123-L420 HydrophobicContact CD1-CG 4.31Å; I123-L420 HydrophobicContact CG1-CD2 4.11Å; I123-L420 HydrophobicContact CG1-CG 4.38Å; I124-L420 HydrophobicContact CB-CD2 4.45Å; I124-L420 HydrophobicContact CG1-CD2 3.97Å; A127-L420 HydrophobicContact CB-CD1 4.42Å; A127-L420 HydrophobicContact CB-CD2 4.21Å; K416-L420 HydrophobicContact CB-CD1 4.06Å; K416-L420 WeakPolarHBondContact O-CB 3.32Å; K416-L420 VanDerWaalsContact O-CG 3.23Å; K416-L420 WeakPolarHBondContact O-CG 3.42Å; K416-L420 PolarHBondContact O-N 3.01Å; Y417-L420 PolarHBondContact O-N 3.34Å; L420-K422 PolarHBondContact O-N 3.08Å; L420-P502 HydrophobicContact CB-CB 4.04Å; L420-P502 HydrophobicContact CD2-CB 3.65Å; L420-P502 HydrophobicContact CD2-CG 3.8Å; L420-P502 HydrophobicContact CG-CB 4.33Å; L420-P502 CarbonylContact O-C 3.45Å; L420-H503 WeakPolarHBondContact O-CA 3.39Å; L420-H503 WeakPolarHBondContact O-CB 3.37Å; L420-H503 PolarHBondContact O-N 3.47Å; L420-L555 HydrophobicContact CD1-CB 4.1Å; L420-L555 HydrophobicContact CD1-CD2 4.02Å
421S97Very high95Very high17 Ų1728.4 Ų28.412%0.11915%0.152CC..THydrogen-bonded Turntrans-73.8-7.5176.365.40000114.3Y417 A418 D419Y417-S421 WeakPolarHBondContact O-CB 3.22Å; Y417-S421 PolarHBondContact O-N 3.37Å; Y417-S421 PolarHBondContact O-OG 3.4Å; A418-S421 PolarHBondContact O-OG 3.38Å; D419-S421 PolarHBondContact O-N 3.36Å; D419-S421 VanDerWaalsContact O-N 3.09Å
422K95.6Very high94.6Very high86 Ų8630.4 Ų30.437%0.37416%0.159SC..SBendtrans-102.6150.7176.4-50.5-56.8173.8-167.70109.9A418 D419 L420 R424 Y428 H503A418-K422 WeakPolarHBondContact O-CG 3.32Å; D419-K422 WeakPolarHBondContact O-CB 3.41Å; D419-K422 PolarHBondContact O-N 3.32Å; L420-K422 PolarHBondContact O-N 3.08Å; K422-R424 PolarHBondContact O-N 3.07Å; K422-R424 VanDerWaalsContact O-N 3.1Å; K422-Y428 HydrophobicContact CG-CD2 4.01Å; K422-Y428 HydrophobicContact CG-CE2 4.47Å; K422-H503 WeakPolarHBondContact O-CB 3.46Å
423N96.3Very high94.1Very high63 Ų6335.1 Ų35.134%0.33718%0.184SC..  trans-61.9121174.4-172.5-25.6000109T425 T426N423-T425 PolarHBondContact O-N 3.46Å; N423-T425 PolarHBondContact OD1-N 3.46Å; N423-T425 PolarHBondContact OD1-OG1 2.9Å; N423-T425 VanDerWaalsContact OD1-OG1 3.05Å; N423-T426 HydrophobicContact CB-CG2 4.21Å; N423-T426 PolarHBondContact O-N 3.32Å; N423-T426 PolarHBondContact O-OG1 3.38Å
424R95.7Very high93.7Very high28 Ų2839.5 Ų39.511%0.10621%0.207CC..THydrogen-bonded Turntrans-51.8-35.6-176.161.4171.3171.280.7-3.3112.9I124 H353 M354 F355 G356 K422 T426 E499 G500I124-R424 HydrophobicContact CD1-CB 3.9Å; H353-R424 VanDerWaalsContact C-NH1 3.31Å; H353-R424 PolarHBondContact ND1-NH2 3.22Å; M354-R424 VanDerWaalsContact N-NH1 3.13Å; M354-R424 PolarHBondContact O-NH1 2.88Å; F355-R424 CarbonylContact C-O 3.59Å; F355-R424 WeakPolarHBondContact CA-O 3.4Å; F355-R424 HydrophobicContact CB-CB 4.2Å; F355-R424 VanDerWaalsContact CB-O 3.29Å; F355-R424 WeakPolarHBondContact CB-O 3.24Å; G356-R424 PolarHBondContact N-O 2.85Å; K422-R424 PolarHBondContact O-N 3.07Å; K422-R424 VanDerWaalsContact O-N 3.1Å; R424-T426 PolarHBondContact O-N 2.87Å; R424-E499 PolarHBondContact NH2-O 3.02Å; R424-G500 VanDerWaalsContact CD-O 3.23Å; R424-G500 WeakPolarHBondContact CD-O 3.41Å; R424-G500 PolarHBondContact NE-O 3.14Å
425T95.3Very high93.4Very high66 Ų6639.8 Ų39.841%0.40521%0.209SC..THydrogen-bonded Turntrans-72.8-13.9-176.962.60000113.6M354 N423M354-T425 HydrophobicContact CG-CG2 4.15Å; N423-T425 PolarHBondContact O-N 3.46Å; N423-T425 PolarHBondContact OD1-N 3.46Å; N423-T425 PolarHBondContact OD1-OG1 2.9Å; N423-T425 VanDerWaalsContact OD1-OG1 3.05Å
426T94Very high93Very high67 Ų6740.3 Ų40.341%0.41121%0.211SC..SBendtrans-88.7151.3176.262.60000111.3R120 N423 R424R120-T426 PolarHBondContact NH1-O 3.5Å; N423-T426 HydrophobicContact CB-CG2 4.21Å; N423-T426 PolarHBondContact O-N 3.32Å; N423-T426 PolarHBondContact O-OG1 3.38Å; R424-T426 PolarHBondContact O-N 2.87Å
427D92.5Very high92.6Very high79 Ų7941.9 Ų41.942%0.42222%0.224SC..  trans-64.5140.6166.4-69-17.9000109.7M357 L359M357-D427 PolarHBondContact N-OD1 3.35Å; M357-D427 CarbonylContact O-C 3.56Å; M357-D427 VanDerWaalsContact O-CA 3.31Å; M357-D427 WeakPolarHBondContact O-CA 3.37Å; L359-D427 HydrophobicContact CD1-CB 3.64Å; L359-D427 HydrophobicContact CG-CB 4.06Å
428Y89.7Confident91.9Very high16 Ų1643.4 Ų43.46%0.06323%0.231CC..EExtended strand (participates in β ladder)trans-110.9120.5-177.7166.5-126.8000110.3M357 M358 L359 A418 D419 K422 F430M357-Y428 PolarHBondContact O-N 3.5Å; M358-Y428 CarbonylContact C-O 3.54Å; M358-Y428 WeakPolarHBondContact CA-O 3.44Å; M358-Y428 HydrophobicContact CE-CD1 3.92Å; M358-Y428 HydrophobicContact CE-CE1 4.07Å; M358-Y428 HydrophobicContact CG-CD1 4.01Å; M358-Y428 HydrophobicContact CG-CE1 4.46Å; M358-Y428 HydrophobicContact SD-CD1 4.43Å; M358-Y428 HydrophobicContact SD-CE1 4.43Å; L359-Y428 PolarHBondContact N-O 2.91Å; A418-Y428 VanDerWaalsContact CB-OH 3.31Å; A418-Y428 WeakPolarHBondContact CB-OH 3.29Å; A418-Y428 WeakPolarHBondContact O-CE2 3.3Å; D419-Y428 HydrophobicContact CB-CD1 4.38Å; D419-Y428 HydrophobicContact CB-CE1 4.36Å; K422-Y428 HydrophobicContact CG-CD2 4.01Å; K422-Y428 HydrophobicContact CG-CE2 4.47Å; Y428-F430 HydrophobicContact CE1-CB 4.3Å; Y428-F430 AromaticContact CE1-CD2 3.95Å; Y428-F430 HydrophobicContact CE1-CD2 3.95Å; Y428-F430 PolarHBondContact O-N 3.48Å
429I91.5Very high91.4Very high93 Ų9350.7 Ų50.748%0.47726%0.263SS..EExtended strand (participates in β ladder)trans-83.7111.9173.2-59.5176.6000108.7L359 D431L359-I429 HydrophobicContact CB-CG1 4.42Å; L359-I429 WeakPolarHBondContact O-CA 3.3Å; I429-D431 PolarHBondContact O-N 3.02Å
430F90.3Very high91.2Very high10 Ų1052.1 Ų52.14%0.04428%0.278CS..  trans-71.8124.1178.5-173.5-86.1000111.1M358 L359 F366 L379 Y428 W432 M435M358-F430 HydrophobicContact CG-CB 4.12Å; M358-F430 HydrophobicContact SD-CB 4.18Å; M358-F430 HydrophobicContact SD-CD2 3.82Å; M358-F430 HydrophobicContact SD-CG 4.31Å; L359-F430 PolarHBondContact O-N 2.65Å; F366-F430 HydrophobicContact CD2-CB 4.32Å; F366-F430 HydrophobicContact CE1-CD1 4.1Å; F366-F430 HydrophobicContact CE1-CE1 4.5Å; F366-F430 HydrophobicContact CE1-CG 4.21Å; F366-F430 HydrophobicContact CE2-CB 4.27Å; F366-F430 AromaticContact CE2-CD1 3.87Å; F366-F430 HydrophobicContact CE2-CD1 3.87Å; F366-F430 HydrophobicContact CE2-CG 4.32Å; F366-F430 HydrophobicContact CZ-CB 4.42Å; F366-F430 AromaticContact CZ-CD1 3.52Å; F366-F430 HydrophobicContact CZ-CD1 3.52Å; F366-F430 AromaticContact CZ-CE1 3.98Å; F366-F430 HydrophobicContact CZ-CE1 3.98Å; F366-F430 HydrophobicContact CZ-CG 4.02Å; L379-F430 HydrophobicContact CD1-CD2 4.47Å; L379-F430 HydrophobicContact CD1-CE2 3.81Å; L379-F430 HydrophobicContact CD1-CZ 3.98Å; L379-F430 HydrophobicContact CD2-CE2 4.42Å; L379-F430 HydrophobicContact CG-CE2 4.38Å; L379-F430 HydrophobicContact CG-CZ 4.21Å; Y428-F430 HydrophobicContact CE1-CB 4.3Å; Y428-F430 AromaticContact CE1-CD2 3.95Å; Y428-F430 HydrophobicContact CE1-CD2 3.95Å; Y428-F430 PolarHBondContact O-N 3.48Å; F430-W432 AromaticContact CE1-CD1 3.99Å; F430-W432 AromaticContact CE1-CD2 3.71Å; F430-W432 HydrophobicContact CE1-CD2 3.71Å; F430-W432 AromaticContact CE1-CE2 3.46Å; F430-W432 VanDerWaalsContact CE1-CE2 3.46Å; F430-W432 HydrophobicContact CE1-CE3 4.26Å; F430-W432 HydrophobicContact CE1-CG 4.04Å; F430-W432 HydrophobicContact CE1-CH2 4.3Å; F430-W432 AromaticContact CE1-CZ2 3.79Å; F430-W432 HydrophobicContact CE1-CZ2 3.79Å; F430-W432 AromaticContact CE1-NE1 3.67Å; F430-W432 AromaticContact CZ-CD2 3.91Å; F430-W432 HydrophobicContact CZ-CD2 3.91Å; F430-W432 AromaticContact CZ-CE2 3.72Å; F430-W432 HydrophobicContact CZ-CE3 4.01Å; F430-W432 AromaticContact CZ-CH2 3.69Å; F430-W432 HydrophobicContact CZ-CH2 3.69Å; F430-W432 AromaticContact CZ-CZ2 3.61Å; F430-W432 HydrophobicContact CZ-CZ2 3.61Å; F430-W432 AromaticContact CZ-CZ3 3.89Å; F430-W432 HydrophobicContact CZ-CZ3 3.89Å; F430-M435 HydrophobicContact CE1-SD 4.34Å; F430-M435 HydrophobicContact CE2-CE 4.38Å; F430-M435 HydrophobicContact CE2-SD 3.86Å; F430-M435 HydrophobicContact CZ-CE 4.46Å; F430-M435 HydrophobicContact CZ-SD 3.64Å
431D90.3Very high91Very high38 Ų3854.6 Ų54.620%0.20329%0.291CS..  trans-142.7110-179.4-169.7-15.2000112.3K361 I429 D433 N434 M435K361-D431 WeakPolarHBondContact CE-OD1 3.47Å; K361-D431 WeakPolarHBondContact CE-OD2 3.4Å; K361-D431 IonicContact NZ-OD1 3.33Å; K361-D431 PolarHBondContact NZ-OD1 3.16Å; K361-D431 IonicContact NZ-OD2 2.82Å; K361-D431 PolarHBondContact NZ-OD2 3.03Å; K361-D431 VanDerWaalsContact NZ-OD2 3.08Å; I429-D431 PolarHBondContact O-N 3.02Å; D431-D433 VanDerWaalsContact C-N 3.32Å; D431-D433 PolarHBondContact O-N 2.89Å; D431-D433 PolarHBondContact OD1-N 3.43Å; D431-N434 HydrophobicContact CB-CB 4.04Å; D431-N434 PolarHBondContact O-N 3.49Å; D431-M435 VanDerWaalsContact O-CG 3.26Å; D431-M435 WeakPolarHBondContact O-CG 3.31Å; D431-M435 PolarHBondContact O-N 2.94Å; D431-M435 VanDerWaalsContact O-N 3.08Å
432W88.5Confident91Very high44 Ų4454 Ų5417%0.16729%0.287CS..Hα-helixtrans-56-41.8176.6-76.3124.2000114L379 E382 A383 F430 N434 M435 L436L379-W432 HydrophobicContact CD2-CH2 4.29Å; L379-W432 HydrophobicContact CG-CH2 4.14Å; L379-W432 HydrophobicContact CG-CZ2 4.29Å; L379-W432 WeakPolarHBondContact O-CH2 3.25Å; E382-W432 HydrophobicContact CB-CH2 4.09Å; E382-W432 HydrophobicContact CB-CZ2 3.76Å; E382-W432 HydrophobicContact CG-CH2 4.01Å; E382-W432 HydrophobicContact CG-CZ2 3.4Å; A383-W432 HydrophobicContact CB-CH2 3.73Å; A383-W432 HydrophobicContact CB-CZ3 3.62Å; F430-W432 AromaticContact CE1-CD1 3.99Å; F430-W432 AromaticContact CE1-CD2 3.71Å; F430-W432 HydrophobicContact CE1-CD2 3.71Å; F430-W432 AromaticContact CE1-CE2 3.46Å; F430-W432 VanDerWaalsContact CE1-CE2 3.46Å; F430-W432 HydrophobicContact CE1-CE3 4.26Å; F430-W432 HydrophobicContact CE1-CG 4.04Å; F430-W432 HydrophobicContact CE1-CH2 4.3Å; F430-W432 AromaticContact CE1-CZ2 3.79Å; F430-W432 HydrophobicContact CE1-CZ2 3.79Å; F430-W432 AromaticContact CE1-NE1 3.67Å; F430-W432 AromaticContact CZ-CD2 3.91Å; F430-W432 HydrophobicContact CZ-CD2 3.91Å; F430-W432 AromaticContact CZ-CE2 3.72Å; F430-W432 HydrophobicContact CZ-CE3 4.01Å; F430-W432 AromaticContact CZ-CH2 3.69Å; F430-W432 HydrophobicContact CZ-CH2 3.69Å; F430-W432 AromaticContact CZ-CZ2 3.61Å; F430-W432 HydrophobicContact CZ-CZ2 3.61Å; F430-W432 AromaticContact CZ-CZ3 3.89Å; F430-W432 HydrophobicContact CZ-CZ3 3.89Å; W432-N434 VanDerWaalsContact C-N 3.32Å; W432-M435 HydrophobicContact CD2-SD 4.3Å; W432-M435 HydrophobicContact CE3-CE 4.33Å; W432-M435 HydrophobicContact CE3-CG 4.25Å; W432-M435 HydrophobicContact CE3-SD 3.49Å; W432-M435 HydrophobicContact CZ3-CE 4.02Å; W432-M435 HydrophobicContact CZ3-SD 3.74Å; W432-M435 WeakPolarHBondContact O-CG 3.27Å; W432-L436 HydrophobicContact CE3-CD1 4.12Å; W432-L436 PolarHBondContact O-N 3.42Å
433D87Confident90.9Very high108 Ų10850 Ų5058%0.57827%0.269SS*.Hα-helixtrans-71.3-37-171.5-53.7-43.4000109.9K361 D431K361-D433 IonicContact NZ-OD2 3.67Å; K361-D433 PolarHBondContact NZ-OD2 3.32Å; D431-D433 VanDerWaalsContact C-N 3.32Å; D431-D433 PolarHBondContact O-N 2.89Å; D431-D433 PolarHBondContact OD1-N 3.43Å
434N88.1Confident90.8Very high93 Ų9347 Ų4750%0.49725%0.253SS..Hα-helixtrans-74.9-45.9179-167.28.4000111.9D431 W432 L436 A437 T442D431-N434 HydrophobicContact CB-CB 4.04Å; D431-N434 PolarHBondContact O-N 3.49Å; W432-N434 VanDerWaalsContact C-N 3.32Å; N434-L436 VanDerWaalsContact C-N 3.31Å; N434-L436 PolarHBondContact O-N 3.34Å; N434-A437 WeakPolarHBondContact O-CB 3.34Å; N434-A437 PolarHBondContact O-N 2.9Å; N434-T442 WeakPolarHBondContact O-CG2 3.38Å
435M90.6Very high90.8Very high7 Ų747.5 Ų47.53%0.03426%0.256CS..Hα-helixtrans-68-28.5-174.165.1-173-69.100114.3A414 V415 A418 F430 D431 W432A414-M435 VanDerWaalsContact C-CE 3.46Å; A414-M435 HydrophobicContact CB-CE 4.1Å; A414-M435 WeakPolarHBondContact CB-O 3.34Å; A414-M435 WeakPolarHBondContact O-CE 3.47Å; V415-M435 HydrophobicContact CB-CE 4.12Å; V415-M435 HydrophobicContact CG2-CE 3.67Å; A418-M435 HydrophobicContact CB-CB 3.5Å; A418-M435 VanDerWaalsContact CB-CB 3.5Å; A418-M435 HydrophobicContact CB-CE 4.35Å; F430-M435 HydrophobicContact CE1-SD 4.34Å; F430-M435 HydrophobicContact CE2-CE 4.38Å; F430-M435 HydrophobicContact CE2-SD 3.86Å; F430-M435 HydrophobicContact CZ-CE 4.46Å; F430-M435 HydrophobicContact CZ-SD 3.64Å; D431-M435 VanDerWaalsContact O-CG 3.26Å; D431-M435 WeakPolarHBondContact O-CG 3.31Å; D431-M435 PolarHBondContact O-N 2.94Å; D431-M435 VanDerWaalsContact O-N 3.08Å; W432-M435 HydrophobicContact CD2-SD 4.3Å; W432-M435 HydrophobicContact CE3-CE 4.33Å; W432-M435 HydrophobicContact CE3-CG 4.25Å; W432-M435 HydrophobicContact CE3-SD 3.49Å; W432-M435 HydrophobicContact CZ3-CE 4.02Å; W432-M435 HydrophobicContact CZ3-SD 3.74Å; W432-M435 WeakPolarHBondContact O-CG 3.27Å
436L87.8Confident90.8Very high15 Ų1544.4 Ų44.48%0.07924%0.236CC..THydrogen-bonded Turntrans-98.45.1-180-72.3166.1000113.4R386 A387 L390 V410 A414 W432 N434R386-L436 HydrophobicContact CB-CD1 3.37Å; R386-L436 HydrophobicContact CG-CD1 4.23Å; A387-L436 HydrophobicContact CB-CD2 4.25Å; L390-L436 HydrophobicContact CD2-CB 4.41Å; L390-L436 VanDerWaalsContact CD2-O 3.31Å; L390-L436 WeakPolarHBondContact CD2-O 3.43Å; V410-L436 HydrophobicContact CG1-CD2 4.46Å; A414-L436 HydrophobicContact CB-CD2 3.62Å; A414-L436 HydrophobicContact CB-CG 4.24Å; W432-L436 HydrophobicContact CE3-CD1 4.12Å; W432-L436 PolarHBondContact O-N 3.42Å; N434-L436 VanDerWaalsContact C-N 3.31Å; N434-L436 PolarHBondContact O-N 3.34Å
437A89Confident90.9Very high32 Ų3241.2 Ų41.226%0.26422%0.217SC..  trans-65.6142.3176.600000111.4N434 E439 T442N434-A437 WeakPolarHBondContact O-CB 3.34Å; N434-A437 PolarHBondContact O-N 2.9Å; A437-E439 VanDerWaalsContact C-N 3.27Å; A437-T442 HydrophobicContact CB-CG2 4.31Å; A437-T442 WeakPolarHBondContact O-CB 3.43Å; A437-T442 PolarHBondContact O-OG1 2.86Å
438F82.7Confident90.9Very high34 Ų3442.4 Ų42.415%0.14922%0.216CC..SBendtrans-81.5-7.8173.1-85.5-88.9000114.1L390 K394 P444 M563L390-F438 HydrophobicContact CD1-CD2 4.23Å; L390-F438 HydrophobicContact CD1-CE2 3.84Å; L390-F438 HydrophobicContact CD2-CD2 3.96Å; L390-F438 HydrophobicContact CD2-CE2 3.43Å; L390-F438 VanDerWaalsContact CD2-CE2 3.43Å; L390-F438 HydrophobicContact CD2-CZ 4.33Å; L390-F438 HydrophobicContact CG-CD2 4.28Å; L390-F438 HydrophobicContact CG-CE2 3.52Å; L390-F438 HydrophobicContact CG-CZ 4.42Å; K394-F438 HydrophobicContact CD-CD2 4.21Å; K394-F438 HydrophobicContact CD-CE1 4.16Å; K394-F438 HydrophobicContact CD-CE2 3.59Å; K394-F438 HydrophobicContact CD-CZ 3.6Å; K394-F438 VanDerWaalsContact CE-CD2 3.48Å; F438-P444 HydrophobicContact CD1-CB 4.11Å; F438-P444 HydrophobicContact CE1-CB 4.23Å; F438-P444 HydrophobicContact CG-CB 4.36Å; F438-M563 HydrophobicContact CD1-CE 4.48Å; F438-M563 HydrophobicContact CE1-CE 3.37Å; F438-M563 HydrophobicContact CE1-CG 4.44Å; F438-M563 HydrophobicContact CE1-SD 3.81Å; F438-M563 HydrophobicContact CZ-CE 3.68Å
439E84.6Confident91.1Very high164 Ų16442 Ų4277%0.76622%0.216SC*.SBendtrans-115.7150.2-179.8-64.2178.9-175.500109.1A437A437-E439 VanDerWaalsContact C-N 3.27Å
440G90.5Very high91.4Very high31 Ų3138.1 Ų38.132%0.3220%0.196SC..SBendtrans82.2-166.1-178.300000113.4T442 Y445 Y510G440-T442 PolarHBondContact O-N 3.24Å; G440-Y445 VanDerWaalsContact O-CB 3.27Å; G440-Y445 WeakPolarHBondContact O-CB 3.31Å; G440-Y445 WeakPolarHBondContact O-CD1 3.36Å; G440-Y445 VanDerWaalsContact O-CG 3.3Å; G440-Y510 VanDerWaalsContact C-CE2 3.48Å; G440-Y510 WeakPolarHBondContact O-CE2 3.4Å
441N94.6Very high91.6Very high55 Ų5538 Ų3829%0.29420%0.195SC..SBendtrans-84.575.2-171.1-168.613.9000111.5Y417 Y510Y417-N441 WeakPolarHBondContact CE1-O 3.35Å; Y417-N441 VanDerWaalsContact CE1-OD1 3.27Å; Y417-N441 WeakPolarHBondContact CE1-OD1 3.48Å; Y417-N441 PolarHBondContact OH-OD1 2.89Å; N441-Y510 HydrophobicContact CB-CD1 4.28Å; N441-Y510 HydrophobicContact CB-CD2 3.93Å; N441-Y510 HydrophobicContact CB-CE1 4.33Å; N441-Y510 HydrophobicContact CB-CE2 4.01Å; N441-Y510 HydrophobicContact CB-CG 4.08Å; N441-Y510 WeakPolarHBondContact OD1-CB 3.46Å
442T95.8Very high91.7Very high5 Ų540 Ų403%0.03120%0.2CC..SBendtrans-134.2160.8-172.769.10000112.3N434 A437 G440 Y445 M446N434-T442 WeakPolarHBondContact O-CG2 3.38Å; A437-T442 HydrophobicContact CB-CG2 4.31Å; A437-T442 WeakPolarHBondContact O-CB 3.43Å; A437-T442 PolarHBondContact O-OG1 2.86Å; G440-T442 PolarHBondContact O-N 3.24Å; T442-Y445 PolarHBondContact O-N 3Å; T442-Y445 WeakPolarHBondContact OG1-CB 3.37Å; T442-Y445 PolarHBondContact OG1-N 3.2Å; T442-M446 WeakPolarHBondContact O-CG 3.48Å; T442-M446 PolarHBondContact O-N 3.11Å; T442-M446 VanDerWaalsContact O-N 3.07Å
443A95Very high92Very high1 Ų138 Ų381%0.00819%0.192CC..Hα-helixtrans-61.9-44.2176.100000113.6G413 Y417 Y445 M446 Q447G413-A443 VanDerWaalsContact O-CB 3.26Å; G413-A443 WeakPolarHBondContact O-CB 2.98Å; Y417-A443 HydrophobicContact CG-CB 4.12Å; A443-Y445 VanDerWaalsContact C-N 3.28Å; A443-Y445 PolarHBondContact O-N 3.46Å; A443-M446 PolarHBondContact O-N 3.34Å; A443-M446 VanDerWaalsContact O-N 3.08Å; A443-Q447 WeakPolarHBondContact O-CB 3.36Å; A443-Q447 WeakPolarHBondContact O-CG 3.45Å; A443-Q447 PolarHBondContact O-N 3.35Å
444P93.7Very high92.4Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-58.7-40.1177.2-22.632.1000112.4V410 F438 Y448 M563V410-P444 HydrophobicContact CG1-CB 4.42Å; V410-P444 HydrophobicContact CG1-CG 4.03Å; F438-P444 HydrophobicContact CD1-CB 4.11Å; F438-P444 HydrophobicContact CE1-CB 4.23Å; F438-P444 HydrophobicContact CG-CB 4.36Å; P444-Y448 VanDerWaalsContact O-CB 3.26Å; P444-Y448 WeakPolarHBondContact O-CB 3.43Å; P444-Y448 PolarHBondContact O-N 3.43Å; P444-M563 HydrophobicContact CB-CE 4.45Å
445Y94.6Very high92.6Very high40 Ų4031 Ų3116%0.15716%0.157CC..Hα-helixtrans-61.4-46.1173.8172.9-98.9000111.4G440 T442 A443 Y448 A449 Y510 A513G440-Y445 VanDerWaalsContact O-CB 3.27Å; G440-Y445 WeakPolarHBondContact O-CB 3.31Å; G440-Y445 WeakPolarHBondContact O-CD1 3.36Å; G440-Y445 VanDerWaalsContact O-CG 3.3Å; T442-Y445 PolarHBondContact O-N 3Å; T442-Y445 WeakPolarHBondContact OG1-CB 3.37Å; T442-Y445 PolarHBondContact OG1-N 3.2Å; A443-Y445 VanDerWaalsContact C-N 3.28Å; A443-Y445 PolarHBondContact O-N 3.46Å; Y445-Y448 PolarHBondContact O-N 3.27Å; Y445-A449 WeakPolarHBondContact O-CB 3.36Å; Y445-A449 PolarHBondContact O-N 2.78Å; Y445-Y510 AromaticContact CD1-CD2 3.77Å; Y445-Y510 HydrophobicContact CD1-CD2 3.77Å; Y445-Y510 AromaticContact CD1-CE2 3.75Å; Y445-Y510 HydrophobicContact CD1-CE2 3.75Å; Y445-Y510 AromaticContact CE1-CD2 3.55Å; Y445-Y510 HydrophobicContact CE1-CD2 3.55Å; Y445-Y510 AromaticContact CE1-CE2 3.51Å; Y445-Y510 HydrophobicContact CE1-CE2 3.51Å; Y445-A513 HydrophobicContact CE1-CB 3.91Å
446M96.5Very high92.8Very high0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-66.1-40.2-179.1-68.7-51.2-45.300113.2Y417 T442 A443 A449 Y450 L509 Y510 A513 L548 L552Y417-M446 HydrophobicContact CE2-CG 3.85Å; T442-M446 WeakPolarHBondContact O-CG 3.48Å; T442-M446 PolarHBondContact O-N 3.11Å; T442-M446 VanDerWaalsContact O-N 3.07Å; A443-M446 PolarHBondContact O-N 3.34Å; A443-M446 VanDerWaalsContact O-N 3.08Å; M446-A449 PolarHBondContact O-N 2.88Å; M446-Y450 PolarHBondContact O-N 2.7Å; M446-Y450 VanDerWaalsContact O-N 3.1Å; M446-L509 HydrophobicContact CE-CB 3.67Å; M446-L509 WeakPolarHBondContact CE-O 3.34Å; M446-L509 HydrophobicContact SD-CB 4.45Å; M446-Y510 HydrophobicContact SD-CD2 4.31Å; M446-A513 HydrophobicContact CE-CB 3.98Å; M446-A513 HydrophobicContact SD-CB 4.26Å; M446-L548 HydrophobicContact CE-CD2 3.63Å; M446-L552 HydrophobicContact CB-CD1 4.47Å; M446-L552 HydrophobicContact CB-CD2 4.09Å
447Q95.2Very high93Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-64.5-42.7174-75.1168.7-33.400111A409 A443 Y450 T451 E558 V560 M563A409-Q447 PolarHBondContact O-NE2 3.33Å; A443-Q447 WeakPolarHBondContact O-CB 3.36Å; A443-Q447 WeakPolarHBondContact O-CG 3.45Å; A443-Q447 PolarHBondContact O-N 3.35Å; Q447-Y450 PolarHBondContact O-N 3.47Å; Q447-T451 WeakPolarHBondContact O-CG2 3.35Å; Q447-T451 PolarHBondContact O-N 3.3Å; Q447-E558 PolarHBondContact NE2-O 3.45Å; Q447-V560 HydrophobicContact CB-CG2 4.22Å; Q447-M563 HydrophobicContact CB-SD 4.37Å
448Y93.2Very high93.1Very high104 Ų10436.3 Ų36.341%0.40817%0.17SC..Hα-helixtrans-64.2-39.5174.1179.2-100.5000112.8P444 Y445 Y450 T451 R452P444-Y448 VanDerWaalsContact O-CB 3.26Å; P444-Y448 WeakPolarHBondContact O-CB 3.43Å; P444-Y448 PolarHBondContact O-N 3.43Å; Y445-Y448 PolarHBondContact O-N 3.27Å; Y448-Y450 VanDerWaalsContact C-N 3.29Å; Y448-Y450 PolarHBondContact O-N 2.76Å; Y448-T451 WeakPolarHBondContact CA-OG1 3.27Å; Y448-T451 PolarHBondContact O-N 3.36Å; Y448-T451 PolarHBondContact O-OG1 3.47Å; Y448-R452 WeakPolarHBondContact O-CB 3.3Å; Y448-R452 PolarHBondContact O-N 3.39Å
449A94.5Very high93.5Very high7 Ų741 Ų416%0.05819%0.19CC..Hα-helixtrans-59.9-43.1175.700000110.9Y445 M446 R452 V453 A513Y445-A449 WeakPolarHBondContact O-CB 3.36Å; Y445-A449 PolarHBondContact O-N 2.78Å; M446-A449 PolarHBondContact O-N 2.88Å; A449-R452 PolarHBondContact O-N 2.88Å; A449-V453 VanDerWaalsContact O-CG2 3.27Å; A449-V453 WeakPolarHBondContact O-CG2 3.32Å; A449-V453 PolarHBondContact O-N 3.02Å; A449-V453 VanDerWaalsContact O-N 3.15Å; A449-A513 HydrophobicContact CB-CB 3.75Å
450Y96.9Very high93.7Very high13 Ų1333.2 Ų33.25%0.05115%0.154CC..Hα-helixtrans-62.1-48.3174175.9-104.9000112.5M446 Q447 Y448 R452 V453 L454 A545 L548 K549 T559 V560M446-Y450 PolarHBondContact O-N 2.7Å; M446-Y450 VanDerWaalsContact O-N 3.1Å; Q447-Y450 PolarHBondContact O-N 3.47Å; Y448-Y450 VanDerWaalsContact C-N 3.29Å; Y448-Y450 PolarHBondContact O-N 2.76Å; Y450-R452 VanDerWaalsContact C-N 3.28Å; Y450-R452 PolarHBondContact O-N 3.29Å; Y450-V453 PolarHBondContact O-N 3.44Å; Y450-L454 HydrophobicContact CD1-CD1 4.09Å; Y450-L454 HydrophobicContact CE1-CD1 3.42Å; Y450-L454 VanDerWaalsContact CE1-CD1 3.42Å; Y450-L454 HydrophobicContact CE1-CG 4.11Å; Y450-L454 HydrophobicContact CE2-CD1 4.41Å; Y450-L454 HydrophobicContact CE2-CD2 4.33Å; Y450-L454 HydrophobicContact CE2-CG 4.31Å; Y450-L454 PolarHBondContact O-N 2.88Å; Y450-L454 VanDerWaalsContact O-N 3.08Å; Y450-A545 HydrophobicContact CD2-CB 4.48Å; Y450-A545 HydrophobicContact CE2-CB 4.12Å; Y450-A545 WeakPolarHBondContact CE2-O 3.33Å; Y450-L548 HydrophobicContact CD2-CB 4.22Å; Y450-K549 HydrophobicContact CD2-CB 4.45Å; Y450-K549 HydrophobicContact CE2-CB 3.85Å; Y450-T559 HydrophobicContact CD1-CG2 3.95Å; Y450-T559 HydrophobicContact CD2-CG2 4.48Å; Y450-T559 HydrophobicContact CE1-CG2 4.08Å; Y450-T559 HydrophobicContact CG-CG2 4.15Å; Y450-V560 VanDerWaalsContact CD1-O 3.28Å; Y450-V560 WeakPolarHBondContact CD1-O 3.3Å; Y450-V560 WeakPolarHBondContact CE1-O 3.49Å
451T94.1Very high93.5Very high6 Ų640.6 Ų40.64%0.03718%0.18CC..Hα-helixtrans-62.7-35.1178.360.30000112.6Q447 Y448 L454 S455 V560 M563Q447-T451 WeakPolarHBondContact O-CG2 3.35Å; Q447-T451 PolarHBondContact O-N 3.3Å; Y448-T451 WeakPolarHBondContact CA-OG1 3.27Å; Y448-T451 PolarHBondContact O-N 3.36Å; Y448-T451 PolarHBondContact O-OG1 3.47Å; T451-L454 PolarHBondContact O-N 3.42Å; T451-S455 PolarHBondContact O-N 3.13Å; T451-V560 HydrophobicContact CG2-CG2 3.81Å; T451-V560 WeakPolarHBondContact CG2-O 3.41Å; T451-M563 HydrophobicContact CG2-CB 3.91Å
452R92.7Very high93.1Very high82 Ų8240.4 Ų40.431%0.30918%0.179SC..Hα-helixtrans-62.8-43.6175.9-175177.5179.3-179.52.1111Y448 A449 Y450 S455Y448-R452 WeakPolarHBondContact O-CB 3.3Å; Y448-R452 PolarHBondContact O-N 3.39Å; A449-R452 PolarHBondContact O-N 2.88Å; Y450-R452 VanDerWaalsContact C-N 3.28Å; Y450-R452 PolarHBondContact O-N 3.29Å; R452-S455 WeakPolarHBondContact O-CB 3.25Å; R452-S455 PolarHBondContact O-N 2.78Å; R452-S455 PolarHBondContact O-OG 2.84Å
453V95.5Very high92.7Very high0 Ų044.1 Ų44.10%020%0.198CC..Hα-helixtrans-60.7-48.1174.6-177.50000109.9A449 Y450 S455 V456 F457 F516 A541 T544 A545 L548A449-V453 VanDerWaalsContact O-CG2 3.27Å; A449-V453 WeakPolarHBondContact O-CG2 3.32Å; A449-V453 PolarHBondContact O-N 3.02Å; A449-V453 VanDerWaalsContact O-N 3.15Å; Y450-V453 PolarHBondContact O-N 3.44Å; V453-S455 PolarHBondContact O-N 3.49Å; V453-V456 VanDerWaalsContact O-CB 3.3Å; V453-V456 WeakPolarHBondContact O-CB 3.28Å; V453-V456 PolarHBondContact O-N 3.43Å; V453-V456 VanDerWaalsContact O-N 3.07Å; V453-F457 HydrophobicContact CG1-CE2 4.14Å; V453-F457 WeakPolarHBondContact O-CD2 3.4Å; V453-F516 HydrophobicContact CB-CE1 4.2Å; V453-F516 HydrophobicContact CB-CZ 4.14Å; V453-F516 HydrophobicContact CG1-CE2 4.25Å; V453-F516 HydrophobicContact CG1-CZ 4.02Å; V453-F516 HydrophobicContact CG2-CD1 3.61Å; V453-F516 HydrophobicContact CG2-CD2 4.33Å; V453-F516 HydrophobicContact CG2-CE1 3.38Å; V453-F516 HydrophobicContact CG2-CE2 4.13Å; V453-F516 HydrophobicContact CG2-CG 4.09Å; V453-F516 HydrophobicContact CG2-CZ 3.66Å; V453-A541 HydrophobicContact CG1-CB 4.22Å; V453-A541 WeakPolarHBondContact CG1-O 3.32Å; V453-T544 HydrophobicContact CG2-CG2 4.08Å; V453-A545 HydrophobicContact CB-CB 4.43Å; V453-A545 HydrophobicContact CG1-CB 3.74Å; V453-L548 HydrophobicContact CG2-CD1 4.3Å
454L94.5Very high92.4Very high30 Ų3052 Ų5216%0.15724%0.235CC..Hα-helixtrans-60.7-31.9177.1-65.9-174.4000113.4Y450 T451 V456 F457 R458 A545 E561Y450-L454 HydrophobicContact CD1-CD1 4.09Å; Y450-L454 HydrophobicContact CE1-CD1 3.42Å; Y450-L454 VanDerWaalsContact CE1-CD1 3.42Å; Y450-L454 HydrophobicContact CE1-CG 4.11Å; Y450-L454 HydrophobicContact CE2-CD1 4.41Å; Y450-L454 HydrophobicContact CE2-CD2 4.33Å; Y450-L454 HydrophobicContact CE2-CG 4.31Å; Y450-L454 PolarHBondContact O-N 2.88Å; Y450-L454 VanDerWaalsContact O-N 3.08Å; T451-L454 PolarHBondContact O-N 3.42Å; L454-V456 PolarHBondContact O-N 2.8Å; L454-F457 WeakPolarHBondContact O-CB 3.48Å; L454-F457 PolarHBondContact O-N 3.37Å; L454-F457 VanDerWaalsContact O-N 3.14Å; L454-R458 PolarHBondContact O-N 2.93Å; L454-R458 VanDerWaalsContact O-N 3.16Å; L454-A545 HydrophobicContact CD2-CB 4.26Å; L454-E561 HydrophobicContact CD1-CB 4.27Å; L454-E561 HydrophobicContact CD1-CG 4.28Å
455S93Very high92.2Very high24 Ų2459.9 Ų59.917%0.16827%0.272CS..Hα-helixtrans-62.9-27.1177.284.70000112.9T451 R452 V453 K459T451-S455 PolarHBondContact O-N 3.13Å; R452-S455 WeakPolarHBondContact O-CB 3.25Å; R452-S455 PolarHBondContact O-N 2.78Å; R452-S455 PolarHBondContact O-OG 2.84Å; V453-S455 PolarHBondContact O-N 3.49Å; S455-K459 WeakPolarHBondContact O-CG 3.37Å; S455-K459 PolarHBondContact O-N 2.91Å
456V93.8Very high91.9Very high0 Ų061.7 Ų61.70%028%0.281CS..Hα-helixtrans-64.2-47.3174-177.40000109.7V453 L454 R458 K459 A460 Y520 I525 L526 L538V453-V456 VanDerWaalsContact O-CB 3.3Å; V453-V456 WeakPolarHBondContact O-CB 3.28Å; V453-V456 PolarHBondContact O-N 3.43Å; V453-V456 VanDerWaalsContact O-N 3.07Å; L454-V456 PolarHBondContact O-N 2.8Å; V456-R458 PolarHBondContact O-N 2.79Å; V456-K459 PolarHBondContact O-N 3.02Å; V456-K459 VanDerWaalsContact O-N 3.14Å; V456-A460 VanDerWaalsContact O-CB 3.23Å; V456-A460 WeakPolarHBondContact O-CB 3.18Å; V456-A460 PolarHBondContact O-N 3.38Å; V456-Y520 HydrophobicContact CG1-CE2 4.49Å; V456-Y520 HydrophobicContact CG2-CD2 4.03Å; V456-Y520 HydrophobicContact CG2-CE2 3.46Å; V456-Y520 VanDerWaalsContact CG2-CE2 3.46Å; V456-I525 HydrophobicContact CG1-CB 4.36Å; V456-I525 HydrophobicContact CG1-CD1 4.07Å; V456-I525 HydrophobicContact CG1-CG2 4.05Å; V456-L526 HydrophobicContact CG1-CD2 4.34Å; V456-L538 HydrophobicContact CG1-CD2 4.01Å
457F93Very high91.7Very high45 Ų4562.1 Ų62.120%0.19728%0.284CS..Hα-helixtrans-61.5-42.3179-68.1-90.8000112V453 L454 K459 A460 I462 L467 L538 A541 Q542V453-F457 HydrophobicContact CG1-CE2 4.14Å; V453-F457 WeakPolarHBondContact O-CD2 3.4Å; L454-F457 WeakPolarHBondContact O-CB 3.48Å; L454-F457 PolarHBondContact O-N 3.37Å; L454-F457 VanDerWaalsContact O-N 3.14Å; F457-K459 PolarHBondContact O-N 3.46Å; F457-A460 PolarHBondContact O-N 3.36Å; F457-A460 VanDerWaalsContact O-N 3.12Å; F457-I462 HydrophobicContact CB-CD1 4.03Å; F457-I462 HydrophobicContact CD1-CD1 3.26Å; F457-I462 HydrophobicContact CE1-CD1 3.99Å; F457-I462 HydrophobicContact CG-CD1 4.05Å; F457-L467 HydrophobicContact CE1-CD2 4.45Å; F457-L538 HydrophobicContact CE1-CD2 4.46Å; F457-L538 WeakPolarHBondContact CZ-O 3.34Å; F457-A541 HydrophobicContact CE2-CB 3.85Å; F457-A541 HydrophobicContact CZ-CB 3.91Å; F457-Q542 HydrophobicContact CE1-CB 4.08Å; F457-Q542 HydrophobicContact CE1-CG 4.48Å; F457-Q542 HydrophobicContact CZ-CB 3.67Å; F457-Q542 HydrophobicContact CZ-CG 4.38Å
458R90.8Very high91.5Very high122 Ų12265.1 Ų65.146%0.4631%0.309SS..Hα-helixtrans-61.5-28.3176.9-68.5-171-68.5-96.75.2113.7L454 V456 E561L454-R458 PolarHBondContact O-N 2.93Å; L454-R458 VanDerWaalsContact O-N 3.16Å; V456-R458 PolarHBondContact O-N 2.79Å; R458-E561 PolarHBondContact NH1-O 3.5Å
459K91.6Very high91.5Very high133 Ų13364.4 Ų64.458%0.57832%0.324SS*.Hα-helixtrans-93-11.9178.8-67.3174.8-176.9178.10113.2S455 V456 F457 L526S455-K459 WeakPolarHBondContact O-CG 3.37Å; S455-K459 PolarHBondContact O-N 2.91Å; V456-K459 PolarHBondContact O-N 3.02Å; V456-K459 VanDerWaalsContact O-N 3.14Å; F457-K459 PolarHBondContact O-N 3.46Å; K459-L526 HydrophobicContact CB-CD1 3.7Å; K459-L526 HydrophobicContact CD-CD1 4.31Å
460A88.8Confident91.5Very high0 Ų064.6 Ų64.60%033%0.326CS..SBendtrans-91.82.9-168.600000114.5V456 F457 I462 L526 R534 L538V456-A460 VanDerWaalsContact O-CB 3.23Å; V456-A460 WeakPolarHBondContact O-CB 3.18Å; V456-A460 PolarHBondContact O-N 3.38Å; F457-A460 PolarHBondContact O-N 3.36Å; F457-A460 VanDerWaalsContact O-N 3.12Å; A460-I462 VanDerWaalsContact C-N 3.33Å; A460-I462 HydrophobicContact CB-CD1 3.82Å; A460-I462 HydrophobicContact CB-CG1 3.56Å; A460-I462 PolarHBondContact O-N 2.93Å; A460-I462 VanDerWaalsContact O-N 3.13Å; A460-L526 HydrophobicContact CB-CD2 3.55Å; A460-R534 PolarHBondContact O-NH2 3.14Å; A460-L538 HydrophobicContact CB-CD1 4.35Å; A460-L538 HydrophobicContact CB-CD2 3.9Å
461E86Confident91.4Very high186 Ų18667 Ų6787%0.86934%0.343SS*.  trans37.262176.5-63.6-175166.700112.5
462I85.6Confident91.6Very high51 Ų5167.4 Ų67.426%0.26235%0.345SS..  trans-85.3135-162.7-63.5171.4000111.1F457 A460 L467 L538F457-I462 HydrophobicContact CB-CD1 4.03Å; F457-I462 HydrophobicContact CD1-CD1 3.26Å; F457-I462 HydrophobicContact CE1-CD1 3.99Å; F457-I462 HydrophobicContact CG-CD1 4.05Å; A460-I462 VanDerWaalsContact C-N 3.33Å; A460-I462 HydrophobicContact CB-CD1 3.82Å; A460-I462 HydrophobicContact CB-CG1 3.56Å; A460-I462 PolarHBondContact O-N 2.93Å; A460-I462 VanDerWaalsContact O-N 3.13Å; I462-L467 HydrophobicContact CD1-CD2 4.47Å; I462-L467 HydrophobicContact CG2-CB 4.03Å; I462-L467 HydrophobicContact CG2-CD2 3.8Å; I462-L538 HydrophobicContact CD1-CD2 4.39Å; I462-L538 HydrophobicContact CG1-CD1 4.4Å
463D87.9Confident91.8Very high83 Ų8365.3 Ų65.344%0.44434%0.34SS..  trans-87.2112.4157.2-176.9-36.5000108.6E465 Q466 L467D463-E465 PolarHBondContact O-N 2.88Å; D463-E465 PolarHBondContact OD1-N 2.8Å; D463-Q466 HydrophobicContact CB-CB 3.85Å; D463-Q466 PolarHBondContact O-N 3.38Å; D463-Q466 PolarHBondContact OD1-N 3.31Å; D463-L467 WeakPolarHBondContact O-CB 3.36Å; D463-L467 PolarHBondContact O-N 3.41Å
464E88.8Confident91.9Very high165 Ų16566 Ų6677%0.77134%0.344SS*.Hα-helixtrans-65.6-36.1-175.6-66.8-172.1172.900112.8A468E464-A468 VanDerWaalsContact O-CB 3.3Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.47Å
465E88.2Confident91.9Very high167 Ų16770.2 Ų70.278%0.7836%0.357SS*.Hα-helixtrans-69.2-44.3179.7-66.1-173.7176.500110.1D463 A468 A469D463-E465 PolarHBondContact O-N 2.88Å; D463-E465 PolarHBondContact OD1-N 2.8Å; E465-A468 PolarHBondContact O-N 2.86Å; E465-A469 WeakPolarHBondContact O-CB 3.23Å; E465-A469 PolarHBondContact O-N 3.47Å; E465-A469 VanDerWaalsContact O-N 3.08Å
466Q89.5Confident92Very high77 Ų7773.8 Ų73.836%0.3637%0.372SS..Hα-helixtrans-65.5-42.7177.6-166.8-175.39.900111.8D463 A469 A470 E531D463-Q466 HydrophobicContact CB-CB 3.85Å; D463-Q466 PolarHBondContact O-N 3.38Å; D463-Q466 PolarHBondContact OD1-N 3.31Å; Q466-A469 PolarHBondContact O-N 3.32Å; Q466-A470 PolarHBondContact O-N 3.1Å; Q466-E531 PolarHBondContact NE2-OE1 3.17Å; Q466-E531 PolarHBondContact NE2-OE2 3.27Å; Q466-E531 PolarHBondContact OE1-OE1 3.07Å
467L92.7Very high92.1Very high9 Ų979.8 Ų79.85%0.04740%0.403CS..Hα-helixtrans-63.6-43.3176.2-178.761.6000110.6F457 I462 D463 A469 A470 N535 L538 K539F457-L467 HydrophobicContact CE1-CD2 4.45Å; I462-L467 HydrophobicContact CD1-CD2 4.47Å; I462-L467 HydrophobicContact CG2-CB 4.03Å; I462-L467 HydrophobicContact CG2-CD2 3.8Å; D463-L467 WeakPolarHBondContact O-CB 3.36Å; D463-L467 PolarHBondContact O-N 3.41Å; L467-A469 VanDerWaalsContact C-N 3.32Å; L467-A469 PolarHBondContact O-N 3.02Å; L467-A470 PolarHBondContact O-N 3.32Å; L467-N535 HydrophobicContact CD1-CB 4.07Å; L467-N535 WeakPolarHBondContact CD1-O 3.4Å; L467-L538 HydrophobicContact CD1-CB 3.76Å; L467-L538 HydrophobicContact CD1-CD1 4.43Å; L467-L538 HydrophobicContact CD2-CB 4.45Å; L467-K539 HydrophobicContact CD1-CG 3.97Å; L467-K539 WeakPolarHBondContact O-CE 3.24Å; L467-K539 PolarHBondContact O-NZ 3.02Å
468A90.7Very high92.2Very high64 Ų6482.7 Ų82.753%0.52941%0.413SS..Hα-helixtrans-59.1-43.9178.400000111.9E464 E465 K539E464-A468 VanDerWaalsContact O-CB 3.3Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.47Å; E465-A468 PolarHBondContact O-N 2.86Å; A468-K539 PolarHBondContact O-NZ 3.09Å
469A92.7Very high92.6Very high88 Ų8877 Ų7773%0.72739%0.392SS*.Hα-helixtrans-76.4-21.3-177.800000115.1E465 Q466 L467E465-A469 WeakPolarHBondContact O-CB 3.23Å; E465-A469 PolarHBondContact O-N 3.47Å; E465-A469 VanDerWaalsContact O-N 3.08Å; Q466-A469 PolarHBondContact O-N 3.32Å; L467-A469 VanDerWaalsContact C-N 3.32Å; L467-A469 PolarHBondContact O-N 3.02Å
470A94.4Very high92.8Very high11 Ų1171.7 Ų71.79%0.09137%0.372CS..SBendtrans-62.9145.3-176.300000112.9Q466 L467 N535 K539Q466-A470 PolarHBondContact O-N 3.1Å; L467-A470 PolarHBondContact O-N 3.32Å; A470-N535 HydrophobicContact CB-CB 3.57Å; A470-K539 WeakPolarHBondContact O-CE 3.44Å; A470-K539 PolarHBondContact O-NZ 2.84Å
471P95.6Very high93.2Very high64 Ų6473.3 Ų73.342%0.41638%0.38SS..PPolyproline II helixtrans-72.1153.1172.530.2-34.3000111.6I473 E532P471-I473 HydrophobicContact CB-CG1 4.45Å; P471-I473 HydrophobicContact CG-CD1 4.3Å; P471-I473 HydrophobicContact CG-CG1 4.36Å; P471-E532 HydrophobicContact CG-CG 4.28Å
472V97.6Very high93.8Very high14 Ų1464.4 Ų64.49%0.08534%0.339CS..PPolyproline II helixtrans-83.8136.9161-179.70000107.7A79 V82 Q83 I474 K539A79-V472 HydrophobicContact CB-CB 4.15Å; A79-V472 HydrophobicContact CB-CG1 3.99Å; A79-V472 WeakPolarHBondContact CB-O 3.49Å; V82-V472 HydrophobicContact CB-CG1 4.24Å; V82-V472 HydrophobicContact CB-CG2 4.46Å; V82-V472 HydrophobicContact CG1-CG1 4.04Å; V82-V472 HydrophobicContact CG1-CG2 3.9Å; Q83-V472 HydrophobicContact CB-CG2 4.25Å; V472-I474 HydrophobicContact CG1-CD1 4.08Å; V472-I474 HydrophobicContact CG1-CG1 4.49Å; V472-K539 HydrophobicContact CG2-CB 4.02Å; V472-K539 HydrophobicContact CG2-CD 3.56Å; V472-K539 HydrophobicContact CG2-CG 4.44Å
473I96.9Very high94.4Very high39 Ų3962 Ų6220%0.233%0.326CS..  trans-136.7125.7178.7-51.2176.4000107.6P471 R475 E532 S536P471-I473 HydrophobicContact CB-CG1 4.45Å; P471-I473 HydrophobicContact CG-CD1 4.3Å; P471-I473 HydrophobicContact CG-CG1 4.36Å; I473-R475 HydrophobicContact CG2-CG 3.82Å; I473-E532 HydrophobicContact CD1-CG 3.52Å; I473-E532 WeakPolarHBondContact CD1-OE1 3.43Å; I473-S536 PolarHBondContact N-OG 3.37Å; I473-S536 PolarHBondContact O-OG 3.25Å
474I97.5Very high94.9Very high15 Ų1558.2 Ų58.28%0.07731%0.307CS..  trans-108.3115177.7-55.4-59.2000107.9P75 L78 A79 V472 E479 A480 A483 L540P75-I474 HydrophobicContact CB-CB 3.92Å; P75-I474 HydrophobicContact CB-CG2 3.99Å; L78-I474 HydrophobicContact CB-CG1 4.34Å; A79-I474 HydrophobicContact CB-CG1 4.11Å; V472-I474 HydrophobicContact CG1-CD1 4.08Å; V472-I474 HydrophobicContact CG1-CG1 4.49Å; I474-E479 HydrophobicContact CD1-CB 4.16Å; I474-E479 HydrophobicContact CG2-CB 4.05Å; I474-A480 HydrophobicContact CG2-CB 3.66Å; I474-A483 HydrophobicContact CD1-CB 3.92Å; I474-L540 HydrophobicContact CD1-CD1 4.05Å; I474-L540 HydrophobicContact CD1-CD2 4.12Å
475R94.6Very high95.3Very high117 Ų11751.8 Ų51.844%0.44228%0.275SS..  trans-118.5-38.9-178.6-59.4-174.8-180174.61.8112.2I473 E479 E529 E532I473-R475 HydrophobicContact CG2-CG 3.82Å; R475-E479 PolarHBondContact N-OE2 2.98Å; R475-E529 IonicContact NH1-OE1 3.73Å; R475-E529 PolarHBondContact NH1-OE1 3.21Å; R475-E532 IonicContact NH2-OE2 3.14Å
476E95.9Very high95.8Very high100 Ų10044.1 Ų44.147%0.46724%0.24SC..SBendtrans-98.5148.3-174.6-60.3-62.6158.200111.8R478 E479 A480E476-R478 PolarHBondContact O-N 3.14Å; E476-R478 VanDerWaalsContact O-N 3.12Å; E476-E479 HydrophobicContact CB-CB 4.44Å; E476-E479 HydrophobicContact CB-CG 4.11Å; E476-E479 PolarHBondContact N-OE2 2.89Å; E476-E479 WeakPolarHBondContact O-CA 3.4Å; E476-E479 WeakPolarHBondContact O-CB 3.26Å; E476-E479 PolarHBondContact O-N 3.4Å; E476-A480 PolarHBondContact O-N 3.33Å
477D94.7Very high96.2Very high125 Ų12542.6 Ų42.667%0.66823%0.234SC*.Hα-helixtrans-55.9-33.8177.3-73.4-13.9000112.5A480 Q481D477-A480 PolarHBondContact O-N 3.44Å; D477-Q481 WeakPolarHBondContact O-CB 3.42Å; D477-Q481 WeakPolarHBondContact O-CG 3.44Å; D477-Q481 PolarHBondContact O-N 2.92Å
478R96.2Very high96.4Very high107 Ų10742.8 Ų42.840%0.40423%0.234SC..Hα-helixtrans-71.3-34177.5-65.9-60.9-170.3-167.93.6112.8E476 L482 H522E476-R478 PolarHBondContact O-N 3.14Å; E476-R478 VanDerWaalsContact O-N 3.12Å; R478-L482 WeakPolarHBondContact O-CB 3.41Å; R478-L482 PolarHBondContact O-N 2.99Å; R478-L482 VanDerWaalsContact O-N 3.14Å; R478-H522 HydrophobicContact CG-CB 4.43Å
479E97.9Very high96.8Very high2 Ų240 Ų401%0.00921%0.21CC..Hα-helixtrans-67-44.2172.7-68.7165.8177.300109.7I474 R475 E476 L482 A483 F519 R537 L540I474-E479 HydrophobicContact CD1-CB 4.16Å; I474-E479 HydrophobicContact CG2-CB 4.05Å; R475-E479 PolarHBondContact N-OE2 2.98Å; E476-E479 HydrophobicContact CB-CB 4.44Å; E476-E479 HydrophobicContact CB-CG 4.11Å; E476-E479 PolarHBondContact N-OE2 2.89Å; E476-E479 WeakPolarHBondContact O-CA 3.4Å; E476-E479 WeakPolarHBondContact O-CB 3.26Å; E476-E479 PolarHBondContact O-N 3.4Å; E479-L482 PolarHBondContact O-N 2.88Å; E479-A483 VanDerWaalsContact O-CB 3.29Å; E479-A483 WeakPolarHBondContact O-CB 3.16Å; E479-A483 PolarHBondContact O-N 3.3Å; E479-F519 HydrophobicContact CG-CD2 3.94Å; E479-F519 HydrophobicContact CG-CE2 3.69Å; E479-R537 IonicContact OE1-CZ 2.85Å; E479-R537 IonicContact OE1-NE 2.74Å; E479-R537 PolarHBondContact OE1-NE 3.14Å; E479-R537 IonicContact OE1-NH2 3.92Å; E479-R537 PolarHBondContact OE1-NH2 3.28Å; E479-L540 HydrophobicContact CB-CD1 4.04Å; E479-L540 HydrophobicContact CG-CD1 4.06Å
480A97.4Very high97Very high21 Ų2139.2 Ų39.217%0.17419%0.191CC..Hα-helixtrans-62.7-46.4178.100000112.1L78 I474 E476 D477 L482 A483 A484L78-A480 HydrophobicContact CD1-CB 4.11Å; I474-A480 HydrophobicContact CG2-CB 3.66Å; E476-A480 PolarHBondContact O-N 3.33Å; D477-A480 PolarHBondContact O-N 3.44Å; A480-L482 PolarHBondContact O-N 3.45Å; A480-A483 PolarHBondContact O-N 3.44Å; A480-A484 WeakPolarHBondContact O-CB 3.47Å; A480-A484 PolarHBondContact O-N 3.47Å
481Q96.8Very high97.1Very high34 Ų3442 Ų4216%0.15920%0.202CC..Hα-helixtrans-60-43.9176.9-75165.529.900112.3V20 D477 R485 L515V20-Q481 HydrophobicContact CG1-CG 4.45Å; D477-Q481 WeakPolarHBondContact O-CB 3.42Å; D477-Q481 WeakPolarHBondContact O-CG 3.44Å; D477-Q481 PolarHBondContact O-N 2.92Å; Q481-R485 WeakPolarHBondContact O-CB 3.35Å; Q481-R485 PolarHBondContact O-N 3.45Å; Q481-L515 HydrophobicContact CB-CD2 4.26Å
482L98.3Very high97.2Very high0 Ų039.3 Ų39.30%019%0.185CC..Hα-helixtrans-65.9-46.9177.3178.560.8000111R478 E479 A480 A484 R485 L486 L512 L515 F516 F519 L540R478-L482 WeakPolarHBondContact O-CB 3.41Å; R478-L482 PolarHBondContact O-N 2.99Å; R478-L482 VanDerWaalsContact O-N 3.14Å; E479-L482 PolarHBondContact O-N 2.88Å; A480-L482 PolarHBondContact O-N 3.45Å; L482-A484 PolarHBondContact O-N 2.88Å; L482-R485 PolarHBondContact O-N 2.87Å; L482-L486 HydrophobicContact CD1-CD1 4.18Å; L482-L486 HydrophobicContact CD1-CG 4.27Å; L482-L486 HydrophobicContact CG-CD1 3.97Å; L482-L486 HydrophobicContact CG-CG 4.5Å; L482-L486 VanDerWaalsContact O-CG 3.28Å; L482-L486 WeakPolarHBondContact O-CG 3.47Å; L482-L486 PolarHBondContact O-N 3.26Å; L482-L512 HydrophobicContact CD1-CD1 3.6Å; L482-L515 HydrophobicContact CD1-CB 4.3Å; L482-F516 HydrophobicContact CD1-CB 4.34Å; L482-F516 HydrophobicContact CD2-CD2 4.14Å; L482-F519 HydrophobicContact CD2-CB 4.04Å; L482-F519 HydrophobicContact CD2-CD1 3.52Å; L482-F519 HydrophobicContact CD2-CD2 4.43Å; L482-F519 HydrophobicContact CD2-CE1 4.03Å; L482-F519 HydrophobicContact CD2-CG 3.73Å; L482-L540 HydrophobicContact CD2-CB 4.17Å
483A98.4Very high97.2Very high0 Ų038.6 Ų38.60%018%0.181CC..Hα-helixtrans-59-48.2178.500000111.7L78 V82 I474 E479 A480 R485 L486 L487 L540L78-A483 HydrophobicContact CB-CB 4.16Å; L78-A483 HydrophobicContact CD1-CB 4.44Å; V82-A483 HydrophobicContact CG2-CB 3.87Å; I474-A483 HydrophobicContact CD1-CB 3.92Å; E479-A483 VanDerWaalsContact O-CB 3.29Å; E479-A483 WeakPolarHBondContact O-CB 3.16Å; E479-A483 PolarHBondContact O-N 3.3Å; A480-A483 PolarHBondContact O-N 3.44Å; A483-R485 VanDerWaalsContact C-N 3.34Å; A483-R485 PolarHBondContact O-N 3.32Å; A483-L486 PolarHBondContact O-N 3.5Å; A483-L487 WeakPolarHBondContact O-CG 3.37Å; A483-L487 PolarHBondContact O-N 3.48Å; A483-L487 VanDerWaalsContact O-N 3.12Å; A483-L540 HydrophobicContact CB-CD2 4.09Å
484A97.8Very high97.2Very high4 Ų439.7 Ų39.73%0.03319%0.19CC..Hα-helixtrans-59-44.6176.500000111.6L78 A480 L482 L486 L487 Q488L78-A484 HydrophobicContact CD2-CB 4.05Å; A480-A484 WeakPolarHBondContact O-CB 3.47Å; A480-A484 PolarHBondContact O-N 3.47Å; L482-A484 PolarHBondContact O-N 2.88Å; A484-L486 PolarHBondContact O-N 2.97Å; A484-L487 PolarHBondContact O-N 3.45Å; A484-Q488 VanDerWaalsContact O-CG 3.32Å; A484-Q488 WeakPolarHBondContact O-CG 3.42Å; A484-Q488 PolarHBondContact O-N 3.06Å; A484-Q488 VanDerWaalsContact O-N 3.11Å
485R97.9Very high97.1Very high29 Ų2940.9 Ų40.911%0.10920%0.197CC..Hα-helixtrans-63.8-40.4178.3-169.859.9163.9172-5.2112.4Q481 L482 A483 L487 Q488 Y508 D511 L512 L515Q481-R485 WeakPolarHBondContact O-CB 3.35Å; Q481-R485 PolarHBondContact O-N 3.45Å; L482-R485 PolarHBondContact O-N 2.87Å; A483-R485 VanDerWaalsContact C-N 3.34Å; A483-R485 PolarHBondContact O-N 3.32Å; R485-L487 VanDerWaalsContact C-N 3.3Å; R485-L487 PolarHBondContact O-N 3.27Å; R485-Q488 VanDerWaalsContact CD-OE1 3.3Å; R485-Q488 VanDerWaalsContact NH1-OE1 3.08Å; R485-Q488 WeakPolarHBondContact O-CB 3.2Å; R485-Q488 PolarHBondContact O-N 2.95Å; R485-Y508 HydrophobicContact CG-CE2 4.02Å; R485-Y508 VanDerWaalsContact O-CE2 3.3Å; R485-Y508 WeakPolarHBondContact O-CE2 3.43Å; R485-Y508 PolarHBondContact O-OH 3.42Å; R485-D511 IonicContact CZ-OD2 2.72Å; R485-D511 IonicContact NH2-OD2 3.51Å; R485-D511 PolarHBondContact NH2-OD2 3.43Å; R485-L512 HydrophobicContact CB-CD1 4.44Å; R485-L512 HydrophobicContact CG-CB 4.42Å; R485-L512 HydrophobicContact CG-CD1 4.16Å; R485-L515 HydrophobicContact CB-CD1 3.5Å; R485-L515 HydrophobicContact CG-CD1 3.71Å
486L98.5Very high97.3Very high7 Ų735.4 Ų35.44%0.03718%0.177CC..Hα-helixtrans-61.2-39.7177.1-70.9165.6000111.8L482 A483 A484 Q488 F489 L512 L540 L543 T547L482-L486 HydrophobicContact CD1-CD1 4.18Å; L482-L486 HydrophobicContact CD1-CG 4.27Å; L482-L486 HydrophobicContact CG-CD1 3.97Å; L482-L486 HydrophobicContact CG-CG 4.5Å; L482-L486 VanDerWaalsContact O-CG 3.28Å; L482-L486 WeakPolarHBondContact O-CG 3.47Å; L482-L486 PolarHBondContact O-N 3.26Å; A483-L486 PolarHBondContact O-N 3.5Å; A484-L486 PolarHBondContact O-N 2.97Å; L486-Q488 VanDerWaalsContact C-N 3.3Å; L486-Q488 PolarHBondContact O-N 3.12Å; L486-F489 WeakPolarHBondContact O-CB 3.48Å; L486-F489 PolarHBondContact O-N 3.33Å; L486-L512 HydrophobicContact CD2-CD1 3.59Å; L486-L512 HydrophobicContact CD2-CD2 3.89Å; L486-L512 HydrophobicContact CD2-CG 4.36Å; L486-L512 HydrophobicContact CG-CD1 3.95Å; L486-L540 HydrophobicContact CD1-CD2 4.46Å; L486-L543 HydrophobicContact CB-CD2 3.97Å; L486-L543 HydrophobicContact CB-CG 4.3Å; L486-L543 HydrophobicContact CD1-CB 4.13Å; L486-L543 HydrophobicContact CD1-CD2 4.01Å; L486-L543 HydrophobicContact CD1-CG 4.05Å; L486-L543 HydrophobicContact CD2-CG 4.2Å; L486-L543 HydrophobicContact CG-CD2 4.45Å; L486-L543 HydrophobicContact CG-CG 4.42Å; L486-T547 HydrophobicContact CD2-CG2 4.33Å
487L97.6Very high97.4Very high44 Ų4431 Ų3123%0.2316%0.158CC..Hα-helixtrans-73.8-20.9178.8-63.2174.4000113.1L78 H81 V82 A85 A483 A484 R485 F489L78-L487 HydrophobicContact CD2-CD1 3.77Å; H81-L487 HydrophobicContact CB-CD1 3.58Å; H81-L487 HydrophobicContact CB-CD2 3.74Å; H81-L487 HydrophobicContact CB-CG 4.32Å; V82-L487 HydrophobicContact CG2-CD1 4.44Å; V82-L487 HydrophobicContact CG2-CD2 4.5Å; V82-L487 HydrophobicContact CG2-CG 4.44Å; A85-L487 HydrophobicContact CB-CD2 4.42Å; A483-L487 WeakPolarHBondContact O-CG 3.37Å; A483-L487 PolarHBondContact O-N 3.48Å; A483-L487 VanDerWaalsContact O-N 3.12Å; A484-L487 PolarHBondContact O-N 3.45Å; R485-L487 VanDerWaalsContact C-N 3.3Å; R485-L487 PolarHBondContact O-N 3.27Å; L487-F489 PolarHBondContact O-N 3.35Å
488Q97.3Very high97.4Very high14 Ų1431.5 Ų31.57%0.06515%0.15CC..THydrogen-bonded Turntrans-75.91173.3-75.6169.7-5.100114.1Q16 Y25 A484 R485 L486 E490 E491 T492Q16-Q488 HydrophobicContact CG-CG 4.24Å; Y25-Q488 WeakPolarHBondContact OH-CG 3.43Å; A484-Q488 VanDerWaalsContact O-CG 3.32Å; A484-Q488 WeakPolarHBondContact O-CG 3.42Å; A484-Q488 PolarHBondContact O-N 3.06Å; A484-Q488 VanDerWaalsContact O-N 3.11Å; R485-Q488 VanDerWaalsContact CD-OE1 3.3Å; R485-Q488 VanDerWaalsContact NH1-OE1 3.08Å; R485-Q488 WeakPolarHBondContact O-CB 3.2Å; R485-Q488 PolarHBondContact O-N 2.95Å; L486-Q488 VanDerWaalsContact C-N 3.3Å; L486-Q488 PolarHBondContact O-N 3.12Å; Q488-E490 VanDerWaalsContact C-N 3.34Å; Q488-E490 PolarHBondContact O-N 2.89Å; Q488-E491 PolarHBondContact O-N 3.06Å; Q488-T492 PolarHBondContact O-N 3.14Å; Q488-T492 PolarHBondContact O-OG1 3.3Å
489F98.2Very high97.4Very high4 Ų430.3 Ų30.32%0.01815%0.149CC..Hα-helixtrans-61.6-40.7-180-173.2-129.9000112.9L91 V93 L486 L487 E491 T492 L493 M505 Y508 T547 L550L91-F489 HydrophobicContact CD1-CD1 4.49Å; L91-F489 HydrophobicContact CD1-CE1 4.37Å; V93-F489 HydrophobicContact CG2-CD1 4.08Å; L486-F489 WeakPolarHBondContact O-CB 3.48Å; L486-F489 PolarHBondContact O-N 3.33Å; L487-F489 PolarHBondContact O-N 3.35Å; F489-E491 VanDerWaalsContact C-N 3.32Å; F489-E491 PolarHBondContact O-N 3.06Å; F489-T492 WeakPolarHBondContact O-CB 3.4Å; F489-T492 PolarHBondContact O-N 3.11Å; F489-T492 VanDerWaalsContact O-N 3.12Å; F489-L493 HydrophobicContact CD1-CD1 3.81Å; F489-L493 HydrophobicContact CD1-CG 4.47Å; F489-L493 HydrophobicContact CE1-CD1 3.52Å; F489-L493 HydrophobicContact CE1-CD2 4.48Å; F489-L493 HydrophobicContact CE1-CG 4.13Å; F489-L493 HydrophobicContact CE2-CD1 4.47Å; F489-L493 HydrophobicContact CE2-CD2 4.42Å; F489-L493 HydrophobicContact CE2-CG 4.21Å; F489-L493 HydrophobicContact CG-CD1 4.39Å; F489-L493 HydrophobicContact CZ-CD1 3.9Å; F489-L493 HydrophobicContact CZ-CD2 4.04Å; F489-L493 HydrophobicContact CZ-CG 4Å; F489-L493 PolarHBondContact O-N 3.03Å; F489-M505 HydrophobicContact CE2-CE 3.69Å; F489-M505 HydrophobicContact CE2-SD 3.74Å; F489-M505 HydrophobicContact CZ-CE 4.23Å; F489-Y508 HydrophobicContact CB-CE1 4.41Å; F489-Y508 WeakPolarHBondContact CB-OH 3.14Å; F489-Y508 AromaticContact CD2-CD1 3.97Å; F489-Y508 HydrophobicContact CD2-CD1 3.97Å; F489-Y508 AromaticContact CD2-CE1 3.33Å; F489-Y508 HydrophobicContact CD2-CE1 3.33Å; F489-Y508 AromaticContact CD2-CZ 3.71Å; F489-Y508 HydrophobicContact CE2-CD1 4.37Å; F489-Y508 AromaticContact CE2-CE1 3.97Å; F489-Y508 HydrophobicContact CE2-CE1 3.97Å; F489-Y508 HydrophobicContact CG-CE1 4.24Å; F489-T547 HydrophobicContact CB-CG2 4.27Å; F489-T547 HydrophobicContact CD1-CG2 4.17Å; F489-T547 HydrophobicContact CD2-CG2 3.86Å; F489-T547 HydrophobicContact CE1-CG2 4.49Å; F489-T547 HydrophobicContact CE2-CG2 4.18Å; F489-T547 HydrophobicContact CG-CG2 3.84Å; F489-T547 HydrophobicContact CZ-CG2 4.49Å; F489-L550 HydrophobicContact CE1-CD2 3.63Å; F489-L550 HydrophobicContact CE1-CG 4.04Å; F489-L550 HydrophobicContact CZ-CB 4.48Å; F489-L550 HydrophobicContact CZ-CD2 4.2Å; F489-L550 HydrophobicContact CZ-CG 4.09Å
490E97.3Very high97.3Very high72 Ų7230.2 Ų30.234%0.33615%0.149SC..Hα-helixtrans-59.2-41.9178.3176.3169.6159.200112.2V93 A94 Q488 T492 L493 T494V93-E490 HydrophobicContact CG1-CB 4.39Å; V93-E490 HydrophobicContact CG1-CG 4.13Å; V93-E490 HydrophobicContact CG2-CB 4.24Å; A94-E490 PolarHBondContact N-OE2 3.26Å; A94-E490 VanDerWaalsContact N-OE2 3.13Å; Q488-E490 VanDerWaalsContact C-N 3.34Å; Q488-E490 PolarHBondContact O-N 2.89Å; E490-T492 VanDerWaalsContact C-N 3.29Å; E490-T492 PolarHBondContact O-N 2.83Å; E490-L493 PolarHBondContact O-N 2.95Å; E490-T494 WeakPolarHBondContact O-CB 3.36Å; E490-T494 PolarHBondContact O-N 3.37Å; E490-T494 PolarHBondContact O-OG1 3.17Å
491E96.2Very high97.3Very high69 Ų6929.8 Ų29.832%0.32214%0.144SC..Hα-helixtrans-61.6-40.7176.7-62175.3-163.300111.1Q16 Y25 Q488 F489 T494 V495Q16-E491 VanDerWaalsContact CG-OE2 3.31Å; Q16-E491 WeakPolarHBondContact CG-OE2 3.37Å; Q16-E491 PolarHBondContact NE2-OE2 2.89Å; Y25-E491 VanDerWaalsContact CE1-OE1 3.22Å; Y25-E491 WeakPolarHBondContact CE1-OE1 3.27Å; Y25-E491 VanDerWaalsContact CZ-OE1 3.29Å; Y25-E491 PolarHBondContact OH-OE1 3.15Å; Q488-E491 PolarHBondContact O-N 3.06Å; F489-E491 VanDerWaalsContact C-N 3.32Å; F489-E491 PolarHBondContact O-N 3.06Å; E491-T494 PolarHBondContact O-N 3.28Å; E491-V495 WeakPolarHBondContact O-CG2 3.35Å; E491-V495 PolarHBondContact O-N 3.13Å
492T97.7Very high97.4Very high8 Ų828.3 Ų28.35%0.04914%0.137CC..Hα-helixtrans-63.6-49.3177.5-61.70000111Q488 F489 E490 T494 V495 V496 V504 M505 Y508Q488-T492 PolarHBondContact O-N 3.14Å; Q488-T492 PolarHBondContact O-OG1 3.3Å; F489-T492 WeakPolarHBondContact O-CB 3.4Å; F489-T492 PolarHBondContact O-N 3.11Å; F489-T492 VanDerWaalsContact O-N 3.12Å; E490-T492 VanDerWaalsContact C-N 3.29Å; E490-T492 PolarHBondContact O-N 2.83Å; T492-T494 VanDerWaalsContact C-N 3.3Å; T492-T494 PolarHBondContact O-N 3.01Å; T492-V495 PolarHBondContact O-N 2.88Å; T492-V496 WeakPolarHBondContact O-CG2 3.28Å; T492-V496 PolarHBondContact O-N 3.48Å; T492-V504 HydrophobicContact CG2-CG1 4.34Å; T492-M505 HydrophobicContact CG2-CB 4.47Å; T492-M505 HydrophobicContact CG2-CE 4Å; T492-M505 HydrophobicContact CG2-SD 4.02Å; T492-Y508 HydrophobicContact CG2-CD1 4.37Å; T492-Y508 HydrophobicContact CG2-CD2 4.41Å; T492-Y508 HydrophobicContact CG2-CG 3.9Å; T492-Y508 VanDerWaalsContact OG1-CD2 3.27Å; T492-Y508 WeakPolarHBondContact OG1-CD2 3.29Å
493L98.2Very high97.4Very high0 Ų030.3 Ų30.30%015%0.147CC..Hα-helixtrans-58-44176.8-73.4167.6000111.7V93 T131 F134 L135 F489 E490 V495 V496 A497 M505 T554V93-L493 HydrophobicContact CG1-CD1 4.04Å; V93-L493 HydrophobicContact CG2-CD1 3.82Å; T131-L493 HydrophobicContact CG2-CD2 3.97Å; F134-L493 HydrophobicContact CD1-CD1 3.79Å; F134-L493 HydrophobicContact CD1-CD2 4.27Å; F134-L493 HydrophobicContact CE1-CD1 3.51Å; L135-L493 HydrophobicContact CD2-CB 4.28Å; F489-L493 HydrophobicContact CD1-CD1 3.81Å; F489-L493 HydrophobicContact CD1-CG 4.47Å; F489-L493 HydrophobicContact CE1-CD1 3.52Å; F489-L493 HydrophobicContact CE1-CD2 4.48Å; F489-L493 HydrophobicContact CE1-CG 4.13Å; F489-L493 HydrophobicContact CE2-CD1 4.47Å; F489-L493 HydrophobicContact CE2-CD2 4.42Å; F489-L493 HydrophobicContact CE2-CG 4.21Å; F489-L493 HydrophobicContact CG-CD1 4.39Å; F489-L493 HydrophobicContact CZ-CD1 3.9Å; F489-L493 HydrophobicContact CZ-CD2 4.04Å; F489-L493 HydrophobicContact CZ-CG 4Å; F489-L493 PolarHBondContact O-N 3.03Å; E490-L493 PolarHBondContact O-N 2.95Å; L493-V495 PolarHBondContact O-N 3.36Å; L493-V496 PolarHBondContact O-N 3.36Å; L493-A497 VanDerWaalsContact O-CB 3.32Å; L493-A497 WeakPolarHBondContact O-CB 3.35Å; L493-A497 PolarHBondContact O-N 2.87Å; L493-M505 HydrophobicContact CD2-CE 3.47Å; L493-M505 VanDerWaalsContact CD2-CE 3.47Å; L493-M505 HydrophobicContact CG-CE 4.04Å; L493-T554 HydrophobicContact CD2-CG2 4.24Å
494T96.5Very high97.3Very high62 Ų6232.3 Ų32.338%0.3816%0.159SC..Hα-helixtrans-62.7-42.3179.9-58.90000111.4E490 E491 T492 R498E490-T494 WeakPolarHBondContact O-CB 3.36Å; E490-T494 PolarHBondContact O-N 3.37Å; E490-T494 PolarHBondContact O-OG1 3.17Å; E491-T494 PolarHBondContact O-N 3.28Å; T492-T494 VanDerWaalsContact C-N 3.3Å; T492-T494 PolarHBondContact O-N 3.01Å; T494-R498 VanDerWaalsContact O-CB 3.25Å; T494-R498 WeakPolarHBondContact O-CB 3.45Å; T494-R498 PolarHBondContact O-N 3.18Å
495V96.7Very high97.4Very high39 Ų3932.1 Ų32.124%0.23616%0.157CC..Hα-helixtrans-64.4-46.9175.6170.60000110.9E491 T492 L493 A497 R498 E499 V504E491-V495 WeakPolarHBondContact O-CG2 3.35Å; E491-V495 PolarHBondContact O-N 3.13Å; T492-V495 PolarHBondContact O-N 2.88Å; L493-V495 PolarHBondContact O-N 3.36Å; V495-A497 PolarHBondContact O-N 3.41Å; V495-R498 PolarHBondContact O-N 2.93Å; V495-E499 WeakPolarHBondContact O-CB 3.48Å; V495-E499 PolarHBondContact O-N 3.34Å; V495-V504 HydrophobicContact CG1-CG1 4.15Å; V495-V504 HydrophobicContact CG1-CG2 4.35Å
496V98Very high97.4Very high2 Ų230.8 Ų30.81%0.01215%0.152CC..Hα-helixtrans-61.9-44.7179.5175.60000111.6T131 T492 L493 R498 G500 T501 V504 M505T131-V496 HydrophobicContact CG2-CB 4.23Å; T131-V496 HydrophobicContact CG2-CG1 4.1Å; T492-V496 WeakPolarHBondContact O-CG2 3.28Å; T492-V496 PolarHBondContact O-N 3.48Å; L493-V496 PolarHBondContact O-N 3.36Å; V496-R498 VanDerWaalsContact C-N 3.34Å; V496-R498 PolarHBondContact O-N 2.77Å; V496-G500 VanDerWaalsContact O-CA 3.27Å; V496-G500 WeakPolarHBondContact O-CA 3.31Å; V496-G500 PolarHBondContact O-N 3.24Å; V496-T501 WeakPolarHBondContact CG2-O 3.06Å; V496-V504 HydrophobicContact CG2-CB 4.17Å; V496-M505 HydrophobicContact CG2-CB 4.07Å
497A97.3Very high97.4Very high8 Ų832.4 Ų32.47%0.06617%0.167CC..Hα-helixtrans-62.8-38.5176.700000113T131 L132 L135 R318 L493 V495T131-A497 HydrophobicContact CG2-CB 4.05Å; L132-A497 HydrophobicContact CD2-CB 3.78Å; L135-A497 HydrophobicContact CD1-CB 3.38Å; R318-A497 PolarHBondContact NH1-O 3.48Å; L493-A497 VanDerWaalsContact O-CB 3.32Å; L493-A497 WeakPolarHBondContact O-CB 3.35Å; L493-A497 PolarHBondContact O-N 2.87Å; V495-A497 PolarHBondContact O-N 3.41Å
498R95.6Very high97.4Very high135 Ų13530.4 Ų30.451%0.50916%0.156SC..Hα-helixtrans-73-46.1178.8-175179.467.5-150.8-2111.9R318 T494 V495 V496R318-R498 PolarHBondContact NH2-O 2.93Å; T494-R498 VanDerWaalsContact O-CB 3.25Å; T494-R498 WeakPolarHBondContact O-CB 3.45Å; T494-R498 PolarHBondContact O-N 3.18Å; V495-R498 PolarHBondContact O-N 2.93Å; V496-R498 VanDerWaalsContact C-N 3.34Å; V496-R498 PolarHBondContact O-N 2.77Å
499E96.2Very high97.5Very high82 Ų8229.7 Ų29.738%0.38315%0.153SC..Hα-helixtrans-105.6-9-166.4-63.3178.4-16200114H353 R424 V495 T501H353-E499 VanDerWaalsContact CE1-C 3.47Å; H353-E499 PolarHBondContact CE1-O 3.2Å; H353-E499 VanDerWaalsContact CE1-O 3.32Å; H353-E499 PolarHBondContact ND1-O 3.13Å; R424-E499 PolarHBondContact NH2-O 3.02Å; V495-E499 WeakPolarHBondContact O-CB 3.48Å; V495-E499 PolarHBondContact O-N 3.34Å; E499-T501 HydrophobicContact CB-CG2 3.73Å
500G96Very high97.4Very high1 Ų133.3 Ų33.31%0.0117%0.167CC..THydrogen-bonded Turntrans6247.2-175.600000111.1Y322 H353 R424 V496 P502Y322-G500 WeakPolarHBondContact OH-CA 3.38Å; H353-G500 WeakPolarHBondContact ND1-CA 3.44Å; R424-G500 VanDerWaalsContact CD-O 3.23Å; R424-G500 WeakPolarHBondContact CD-O 3.41Å; R424-G500 PolarHBondContact NE-O 3.14Å; V496-G500 VanDerWaalsContact O-CA 3.27Å; V496-G500 WeakPolarHBondContact O-CA 3.31Å; V496-G500 PolarHBondContact O-N 3.24Å; G500-P502 VanDerWaalsContact C-CD 3.43Å; G500-P502 VanDerWaalsContact O-CD 3.28Å; G500-P502 WeakPolarHBondContact O-CD 3.41Å
501T96.9Very high97.4Very high11 Ų1133.5 Ų33.57%0.06717%0.17CC..  trans-119.471.4-171.151.40000113.1V496 E499 H503 V504V496-T501 WeakPolarHBondContact CG2-O 3.06Å; E499-T501 HydrophobicContact CB-CG2 3.73Å; T501-H503 PolarHBondContact O-N 3.43Å; T501-V504 WeakPolarHBondContact O-CB 3.27Å; T501-V504 PolarHBondContact O-N 3.42Å
502P98.2Very high97.5Very high3 Ų330.2 Ų30.22%0.01916%0.155CC..Hα-helixtrans-52.9-28.2-179.4-28.636.2000115.1I124 A127 L420 G500 V504 M505 C506 L555I124-P502 HydrophobicContact CG2-CG 4.2Å; A127-P502 HydrophobicContact CB-CB 4.21Å; A127-P502 HydrophobicContact CB-CG 3.82Å; L420-P502 HydrophobicContact CB-CB 4.04Å; L420-P502 HydrophobicContact CD2-CB 3.65Å; L420-P502 HydrophobicContact CD2-CG 3.8Å; L420-P502 HydrophobicContact CG-CB 4.33Å; L420-P502 CarbonylContact O-C 3.45Å; G500-P502 VanDerWaalsContact C-CD 3.43Å; G500-P502 VanDerWaalsContact O-CD 3.28Å; G500-P502 WeakPolarHBondContact O-CD 3.41Å; P502-V504 PolarHBondContact O-N 2.88Å; P502-V504 VanDerWaalsContact O-N 3.16Å; P502-M505 WeakPolarHBondContact O-CA 3.44Å; P502-M505 VanDerWaalsContact O-CB 3.3Å; P502-M505 WeakPolarHBondContact O-CB 3.41Å; P502-M505 PolarHBondContact O-N 3.29Å; P502-C506 PolarHBondContact O-N 3.28Å; P502-L555 HydrophobicContact CB-CD2 3.9Å
503H98.1Very high97.5Very high42 Ų4229.9 Ų29.919%0.19415%0.153CC..Hα-helixtrans-60.5-25.9177.470.4-76.5000114.1L420 K422 T501 C506 A507L420-H503 WeakPolarHBondContact O-CA 3.39Å; L420-H503 WeakPolarHBondContact O-CB 3.37Å; L420-H503 PolarHBondContact O-N 3.47Å; K422-H503 WeakPolarHBondContact O-CB 3.46Å; T501-H503 PolarHBondContact O-N 3.43Å; H503-C506 PolarHBondContact O-N 3.15Å; H503-A507 WeakPolarHBondContact O-CB 3.33Å; H503-A507 PolarHBondContact O-N 3.18Å
504V97.9Very high97.5Very high42 Ų4231.7 Ų31.726%0.25517%0.171SC..Hα-helixtrans-68.3-40.7173.4-178.70000110.2T492 V495 V496 T501 P502 Y508T492-V504 HydrophobicContact CG2-CG1 4.34Å; V495-V504 HydrophobicContact CG1-CG1 4.15Å; V495-V504 HydrophobicContact CG1-CG2 4.35Å; V496-V504 HydrophobicContact CG2-CB 4.17Å; T501-V504 WeakPolarHBondContact O-CB 3.27Å; T501-V504 PolarHBondContact O-N 3.42Å; P502-V504 PolarHBondContact O-N 2.88Å; P502-V504 VanDerWaalsContact O-N 3.16Å; V504-Y508 WeakPolarHBondContact O-CB 3.45Å; V504-Y508 PolarHBondContact O-N 2.81Å
505M98.6Very high97.5Very high1 Ų131 Ų311%0.00517%0.165CC..Hα-helixtrans-63.8-46.3171.8-178.961.374.400111F489 T492 L493 V496 P502 A507 Y508 L509 L555F489-M505 HydrophobicContact CE2-CE 3.69Å; F489-M505 HydrophobicContact CE2-SD 3.74Å; F489-M505 HydrophobicContact CZ-CE 4.23Å; T492-M505 HydrophobicContact CG2-CB 4.47Å; T492-M505 HydrophobicContact CG2-CE 4Å; T492-M505 HydrophobicContact CG2-SD 4.02Å; L493-M505 HydrophobicContact CD2-CE 3.47Å; L493-M505 VanDerWaalsContact CD2-CE 3.47Å; L493-M505 HydrophobicContact CG-CE 4.04Å; V496-M505 HydrophobicContact CG2-CB 4.07Å; P502-M505 WeakPolarHBondContact O-CA 3.44Å; P502-M505 VanDerWaalsContact O-CB 3.3Å; P502-M505 WeakPolarHBondContact O-CB 3.41Å; P502-M505 PolarHBondContact O-N 3.29Å; M505-A507 VanDerWaalsContact C-N 3.35Å; M505-A507 PolarHBondContact O-N 2.83Å; M505-Y508 WeakPolarHBondContact O-CB 3.27Å; M505-Y508 PolarHBondContact O-N 3.33Å; M505-Y508 HydrophobicContact SD-CD1 4.23Å; M505-L509 HydrophobicContact CG-CD1 3.91Å; M505-L509 HydrophobicContact CG-CG 4.28Å; M505-L509 VanDerWaalsContact O-CG 3.28Å; M505-L509 WeakPolarHBondContact O-CG 3.05Å; M505-L509 PolarHBondContact O-N 2.87Å; M505-L509 HydrophobicContact SD-CD1 4.16Å; M505-L509 HydrophobicContact SD-CD2 4.28Å; M505-L509 HydrophobicContact SD-CG 4.02Å; M505-L555 HydrophobicContact CB-CD2 4.17Å; M505-L555 HydrophobicContact CG-CD1 4.07Å; M505-L555 HydrophobicContact CG-CD2 4.1Å; M505-L555 HydrophobicContact CG-CG 4.03Å
506C98.5Very high97.6Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-56.6-48.3177.1-65.30000111.8Y417 P502 H503 L509 Y510Y417-C506 HydrophobicContact CE1-CB 4.28Å; Y417-C506 HydrophobicContact CE2-CB 4.03Å; Y417-C506 WeakPolarHBondContact OH-CB 3.45Å; Y417-C506 PolarHBondContact OH-O 3.33Å; P502-C506 PolarHBondContact O-N 3.28Å; H503-C506 PolarHBondContact O-N 3.15Å; C506-L509 PolarHBondContact O-N 2.87Å; C506-Y510 WeakPolarHBondContact O-CB 3.42Å; C506-Y510 PolarHBondContact O-N 3.31Å
507A97.9Very high97.5Very high41 Ų4130.6 Ų30.634%0.33916%0.163SC..Hα-helixtrans-60.9-44.8177.100000112H503 M505 L509 Y510 D511H503-A507 WeakPolarHBondContact O-CB 3.33Å; H503-A507 PolarHBondContact O-N 3.18Å; M505-A507 VanDerWaalsContact C-N 3.35Å; M505-A507 PolarHBondContact O-N 2.83Å; A507-L509 PolarHBondContact O-N 3.26Å; A507-Y510 PolarHBondContact O-N 3.15Å; A507-D511 WeakPolarHBondContact O-CB 3.28Å; A507-D511 VanDerWaalsContact O-CG 3.23Å; A507-D511 PolarHBondContact O-N 2.81Å
508Y98.2Very high97.5Very high2 Ų231 Ų311%0.00817%0.168CC..Hα-helixtrans-56.8-48.7175.6169.1-91.3000112.4R485 F489 T492 V504 M505 Y510 D511 L512 T547R485-Y508 HydrophobicContact CG-CE2 4.02Å; R485-Y508 VanDerWaalsContact O-CE2 3.3Å; R485-Y508 WeakPolarHBondContact O-CE2 3.43Å; R485-Y508 PolarHBondContact O-OH 3.42Å; F489-Y508 HydrophobicContact CB-CE1 4.41Å; F489-Y508 WeakPolarHBondContact CB-OH 3.14Å; F489-Y508 AromaticContact CD2-CD1 3.97Å; F489-Y508 HydrophobicContact CD2-CD1 3.97Å; F489-Y508 AromaticContact CD2-CE1 3.33Å; F489-Y508 HydrophobicContact CD2-CE1 3.33Å; F489-Y508 AromaticContact CD2-CZ 3.71Å; F489-Y508 HydrophobicContact CE2-CD1 4.37Å; F489-Y508 AromaticContact CE2-CE1 3.97Å; F489-Y508 HydrophobicContact CE2-CE1 3.97Å; F489-Y508 HydrophobicContact CG-CE1 4.24Å; T492-Y508 HydrophobicContact CG2-CD1 4.37Å; T492-Y508 HydrophobicContact CG2-CD2 4.41Å; T492-Y508 HydrophobicContact CG2-CG 3.9Å; T492-Y508 VanDerWaalsContact OG1-CD2 3.27Å; T492-Y508 WeakPolarHBondContact OG1-CD2 3.29Å; V504-Y508 WeakPolarHBondContact O-CB 3.45Å; V504-Y508 PolarHBondContact O-N 2.81Å; M505-Y508 WeakPolarHBondContact O-CB 3.27Å; M505-Y508 PolarHBondContact O-N 3.33Å; M505-Y508 HydrophobicContact SD-CD1 4.23Å; Y508-Y510 VanDerWaalsContact C-N 3.35Å; Y508-Y510 PolarHBondContact O-N 3.12Å; Y508-D511 PolarHBondContact O-N 2.75Å; Y508-L512 HydrophobicContact CE1-CD2 4.04Å; Y508-L512 WeakPolarHBondContact O-CB 3.37Å; Y508-L512 PolarHBondContact O-N 2.92Å; Y508-T547 HydrophobicContact CE1-CG2 3.92Å; Y508-T547 WeakPolarHBondContact OH-CG2 3.23Å
509L98.5Very high97.6Very high0 Ų024.5 Ų24.50%014%0.144CC..Hα-helixtrans-65.7-40.4-178.7-64.4172.5000111.5M446 M505 C506 A507 L512 A513 L548 L552 L555M446-L509 HydrophobicContact CE-CB 3.67Å; M446-L509 WeakPolarHBondContact CE-O 3.34Å; M446-L509 HydrophobicContact SD-CB 4.45Å; M505-L509 HydrophobicContact CG-CD1 3.91Å; M505-L509 HydrophobicContact CG-CG 4.28Å; M505-L509 VanDerWaalsContact O-CG 3.28Å; M505-L509 WeakPolarHBondContact O-CG 3.05Å; M505-L509 PolarHBondContact O-N 2.87Å; M505-L509 HydrophobicContact SD-CD1 4.16Å; M505-L509 HydrophobicContact SD-CD2 4.28Å; M505-L509 HydrophobicContact SD-CG 4.02Å; C506-L509 PolarHBondContact O-N 2.87Å; A507-L509 PolarHBondContact O-N 3.26Å; L509-L512 PolarHBondContact O-N 3.44Å; L509-A513 WeakPolarHBondContact O-CB 3.43Å; L509-A513 PolarHBondContact O-N 3.08Å; L509-L548 HydrophobicContact CB-CD2 4.43Å; L509-L548 HydrophobicContact CD2-CD2 4.07Å; L509-L552 HydrophobicContact CD1-CD2 4.31Å; L509-L552 HydrophobicContact CD1-CG 4.34Å; L509-L555 HydrophobicContact CD1-CD1 3.87Å
510Y97.9Very high97.6Very high80 Ų8023.5 Ų23.531%0.31414%0.137SC..Hα-helixtrans-62.6-46.1176.2-175.3-110000111.9G440 N441 Y445 M446 C506 A507 Y508 L512 A513 G514G440-Y510 VanDerWaalsContact C-CE2 3.48Å; G440-Y510 WeakPolarHBondContact O-CE2 3.4Å; N441-Y510 HydrophobicContact CB-CD1 4.28Å; N441-Y510 HydrophobicContact CB-CD2 3.93Å; N441-Y510 HydrophobicContact CB-CE1 4.33Å; N441-Y510 HydrophobicContact CB-CE2 4.01Å; N441-Y510 HydrophobicContact CB-CG 4.08Å; N441-Y510 WeakPolarHBondContact OD1-CB 3.46Å; Y445-Y510 AromaticContact CD1-CD2 3.77Å; Y445-Y510 HydrophobicContact CD1-CD2 3.77Å; Y445-Y510 AromaticContact CD1-CE2 3.75Å; Y445-Y510 HydrophobicContact CD1-CE2 3.75Å; Y445-Y510 AromaticContact CE1-CD2 3.55Å; Y445-Y510 HydrophobicContact CE1-CD2 3.55Å; Y445-Y510 AromaticContact CE1-CE2 3.51Å; Y445-Y510 HydrophobicContact CE1-CE2 3.51Å; M446-Y510 HydrophobicContact SD-CD2 4.31Å; C506-Y510 WeakPolarHBondContact O-CB 3.42Å; C506-Y510 PolarHBondContact O-N 3.31Å; A507-Y510 PolarHBondContact O-N 3.15Å; Y508-Y510 VanDerWaalsContact C-N 3.35Å; Y508-Y510 PolarHBondContact O-N 3.12Å; Y510-L512 VanDerWaalsContact C-N 3.33Å; Y510-L512 PolarHBondContact O-N 3.44Å; Y510-A513 PolarHBondContact O-N 2.96Å; Y510-G514 PolarHBondContact O-N 2.99Å
511D97.1Very high97.6Very high76 Ų7630.4 Ų30.441%0.40617%0.169SC..Hα-helixtrans-60.5-43.9174.8-68.7-22.9000111.3R485 A507 Y508 A513 G514 L515R485-D511 IonicContact CZ-OD2 2.72Å; R485-D511 IonicContact NH2-OD2 3.51Å; R485-D511 PolarHBondContact NH2-OD2 3.43Å; A507-D511 WeakPolarHBondContact O-CB 3.28Å; A507-D511 VanDerWaalsContact O-CG 3.23Å; A507-D511 PolarHBondContact O-N 2.81Å; Y508-D511 PolarHBondContact O-N 2.75Å; D511-A513 PolarHBondContact O-N 3.34Å; D511-G514 PolarHBondContact O-N 3.26Å; D511-L515 WeakPolarHBondContact O-CG 3.44Å; D511-L515 PolarHBondContact O-N 2.98Å
512L98.2Very high97.5Very high0 Ų035.2 Ų35.20%019%0.19CC..Hα-helixtrans-61.8-44.1179178.562000111.7L482 R485 L486 Y508 L509 Y510 G514 L515 F516 T544 T547 L548L482-L512 HydrophobicContact CD1-CD1 3.6Å; R485-L512 HydrophobicContact CB-CD1 4.44Å; R485-L512 HydrophobicContact CG-CB 4.42Å; R485-L512 HydrophobicContact CG-CD1 4.16Å; L486-L512 HydrophobicContact CD2-CD1 3.59Å; L486-L512 HydrophobicContact CD2-CD2 3.89Å; L486-L512 HydrophobicContact CD2-CG 4.36Å; L486-L512 HydrophobicContact CG-CD1 3.95Å; Y508-L512 HydrophobicContact CE1-CD2 4.04Å; Y508-L512 WeakPolarHBondContact O-CB 3.37Å; Y508-L512 PolarHBondContact O-N 2.92Å; L509-L512 PolarHBondContact O-N 3.44Å; Y510-L512 VanDerWaalsContact C-N 3.33Å; Y510-L512 PolarHBondContact O-N 3.44Å; L512-G514 VanDerWaalsContact C-N 3.31Å; L512-G514 PolarHBondContact O-N 2.7Å; L512-L515 PolarHBondContact O-N 2.94Å; L512-F516 WeakPolarHBondContact O-CB 3.29Å; L512-F516 PolarHBondContact O-N 2.93Å; L512-T544 HydrophobicContact CG-CG2 4.42Å; L512-T547 HydrophobicContact CD2-CG2 3.68Å; L512-L548 HydrophobicContact CD2-CD2 4.05Å; L512-L548 HydrophobicContact CD2-CG 4.27Å; L512-L548 HydrophobicContact CG-CD2 4.42Å
513A97.7Very high97.5Very high1 Ų135.2 Ų35.21%0.00819%0.191CC..Hα-helixtrans-62.3-38.7175.600000112.1Y445 M446 A449 L509 Y510 D511 S517Y445-A513 HydrophobicContact CE1-CB 3.91Å; M446-A513 HydrophobicContact CE-CB 3.98Å; M446-A513 HydrophobicContact SD-CB 4.26Å; A449-A513 HydrophobicContact CB-CB 3.75Å; L509-A513 WeakPolarHBondContact O-CB 3.43Å; L509-A513 PolarHBondContact O-N 3.08Å; Y510-A513 PolarHBondContact O-N 2.96Å; D511-A513 PolarHBondContact O-N 3.34Å; A513-S517 WeakPolarHBondContact O-CB 3.38Å; A513-S517 PolarHBondContact O-N 3.49Å; A513-S517 PolarHBondContact O-OG 3.34Å
514G96.9Very high97.3Very high37 Ų3736 Ų3638%0.38120%0.199SC..Hα-helixtrans-63.6-47.4173.400000112.8Y510 D511 L512 S517 G518Y510-G514 PolarHBondContact O-N 2.99Å; D511-G514 PolarHBondContact O-N 3.26Å; L512-G514 VanDerWaalsContact C-N 3.31Å; L512-G514 PolarHBondContact O-N 2.7Å; G514-S517 PolarHBondContact O-N 3.01Å; G514-G518 PolarHBondContact O-N 3.33Å
515L97.4Very high97.2Very high48 Ų4834.1 Ų34.125%0.25119%0.188SC..Hα-helixtrans-62.5-43.1176.8-72.5175000112Q481 L482 R485 D511 L512 S517 G518 F519Q481-L515 HydrophobicContact CB-CD2 4.26Å; L482-L515 HydrophobicContact CD1-CB 4.3Å; R485-L515 HydrophobicContact CB-CD1 3.5Å; R485-L515 HydrophobicContact CG-CD1 3.71Å; D511-L515 WeakPolarHBondContact O-CG 3.44Å; D511-L515 PolarHBondContact O-N 2.98Å; L512-L515 PolarHBondContact O-N 2.94Å; L515-S517 VanDerWaalsContact C-N 3.33Å; L515-S517 PolarHBondContact O-N 2.97Å; L515-G518 PolarHBondContact O-N 3.44Å; L515-F519 WeakPolarHBondContact O-CB 3.5Å; L515-F519 PolarHBondContact O-N 3.46Å
516F98Very high96.9Very high4 Ų437.3 Ų37.32%0.01820%0.204CC..Hα-helixtrans-61.5-42.2174.9178.4-95.5000111.7V453 L482 L512 G518 F519 Y520 A541 T544V453-F516 HydrophobicContact CB-CE1 4.2Å; V453-F516 HydrophobicContact CB-CZ 4.14Å; V453-F516 HydrophobicContact CG1-CE2 4.25Å; V453-F516 HydrophobicContact CG1-CZ 4.02Å; V453-F516 HydrophobicContact CG2-CD1 3.61Å; V453-F516 HydrophobicContact CG2-CD2 4.33Å; V453-F516 HydrophobicContact CG2-CE1 3.38Å; V453-F516 HydrophobicContact CG2-CE2 4.13Å; V453-F516 HydrophobicContact CG2-CG 4.09Å; V453-F516 HydrophobicContact CG2-CZ 3.66Å; L482-F516 HydrophobicContact CD1-CB 4.34Å; L482-F516 HydrophobicContact CD2-CD2 4.14Å; L512-F516 WeakPolarHBondContact O-CB 3.29Å; L512-F516 PolarHBondContact O-N 2.93Å; F516-G518 VanDerWaalsContact C-N 3.35Å; F516-G518 PolarHBondContact O-N 3.38Å; F516-F519 AromaticContact CD2-CD1 3.92Å; F516-F519 HydrophobicContact CD2-CD1 3.92Å; F516-F519 HydrophobicContact CD2-CE1 4.36Å; F516-F519 HydrophobicContact CE2-CD1 4Å; F516-F519 HydrophobicContact CE2-CE1 4.06Å; F516-F519 PolarHBondContact O-N 2.85Å; F516-Y520 HydrophobicContact CZ-CD2 4.36Å; F516-Y520 VanDerWaalsContact O-CB 3.29Å; F516-Y520 WeakPolarHBondContact O-CB 3.32Å; F516-Y520 PolarHBondContact O-N 2.98Å; F516-A541 HydrophobicContact CE2-CB 3.81Å; F516-A541 HydrophobicContact CZ-CB 4.31Å; F516-T544 HydrophobicContact CB-CG2 3.94Å; F516-T544 HydrophobicContact CD2-CG2 3.79Å; F516-T544 HydrophobicContact CG-CG2 3.91Å
517S96.4Very high96.7Very high28 Ų2841.9 Ų41.920%0.19624%0.236CC..Hα-helixtrans-60.8-44.7177.4-63.40000111.5A513 G514 L515 Y520 E521A513-S517 WeakPolarHBondContact O-CB 3.38Å; A513-S517 PolarHBondContact O-N 3.49Å; A513-S517 PolarHBondContact O-OG 3.34Å; G514-S517 PolarHBondContact O-N 3.01Å; L515-S517 VanDerWaalsContact C-N 3.33Å; L515-S517 PolarHBondContact O-N 2.97Å; S517-Y520 PolarHBondContact O-N 3.06Å; S517-E521 PolarHBondContact O-N 3.36Å; S517-E521 VanDerWaalsContact O-N 3.14Å
518G96.5Very high96.5Very high16 Ų1640.9 Ų40.917%0.16523%0.228CC..Hα-helixtrans-64.8-42.2175.700000113.1G514 L515 F516 E521 H522G514-G518 PolarHBondContact O-N 3.33Å; L515-G518 PolarHBondContact O-N 3.44Å; F516-G518 VanDerWaalsContact C-N 3.35Å; F516-G518 PolarHBondContact O-N 3.38Å; G518-E521 PolarHBondContact O-N 3.24Å; G518-H522 PolarHBondContact O-N 3.45Å; G518-H522 VanDerWaalsContact O-N 3.15Å; G518-H522 PolarHBondContact O-ND1 3.45Å
519F97.7Very high96.2Very high0 Ų046.8 Ų46.80%026%0.255CS..Hα-helixtrans-59.1-49.7172.8157.6-107000111.6E479 L482 L515 F516 E521 H522 C523 I525 R537 L540E479-F519 HydrophobicContact CG-CD2 3.94Å; E479-F519 HydrophobicContact CG-CE2 3.69Å; L482-F519 HydrophobicContact CD2-CB 4.04Å; L482-F519 HydrophobicContact CD2-CD1 3.52Å; L482-F519 HydrophobicContact CD2-CD2 4.43Å; L482-F519 HydrophobicContact CD2-CE1 4.03Å; L482-F519 HydrophobicContact CD2-CG 3.73Å; L515-F519 WeakPolarHBondContact O-CB 3.5Å; L515-F519 PolarHBondContact O-N 3.46Å; F516-F519 AromaticContact CD2-CD1 3.92Å; F516-F519 HydrophobicContact CD2-CD1 3.92Å; F516-F519 HydrophobicContact CD2-CE1 4.36Å; F516-F519 HydrophobicContact CE2-CD1 4Å; F516-F519 HydrophobicContact CE2-CE1 4.06Å; F516-F519 PolarHBondContact O-N 2.85Å; F519-E521 VanDerWaalsContact C-N 3.26Å; F519-E521 PolarHBondContact O-N 3.18Å; F519-H522 PolarHBondContact O-N 3.42Å; F519-C523 HydrophobicContact CD2-CB 3.6Å; F519-C523 HydrophobicContact CE2-CB 3.58Å; F519-C523 WeakPolarHBondContact O-CA 3.29Å; F519-C523 VanDerWaalsContact O-CB 3.27Å; F519-C523 WeakPolarHBondContact O-CB 3.49Å; F519-C523 PolarHBondContact O-N 3.17Å; F519-I525 HydrophobicContact CE1-CD1 3.72Å; F519-I525 HydrophobicContact CE1-CG1 4.32Å; F519-I525 HydrophobicContact CZ-CD1 4.06Å; F519-I525 HydrophobicContact CZ-CG1 4.24Å; F519-R537 HydrophobicContact CE2-CB 4.47Å; F519-R537 HydrophobicContact CE2-CG 3.98Å; F519-R537 HydrophobicContact CZ-CB 3.86Å; F519-R537 HydrophobicContact CZ-CG 3.88Å; F519-L540 HydrophobicContact CE1-CB 4.47Å; F519-L540 HydrophobicContact CE2-CD1 4.14Å; F519-L540 HydrophobicContact CZ-CB 4.3Å; F519-L540 HydrophobicContact CZ-CD1 4.2Å
520Y96.7Very high95.9Very high60 Ų6049.9 Ų49.924%0.23527%0.272CS..Hα-helixtrans-62-33.8-177.9-177-102.8000112.9V456 F516 S517 I525V456-Y520 HydrophobicContact CG1-CE2 4.49Å; V456-Y520 HydrophobicContact CG2-CD2 4.03Å; V456-Y520 HydrophobicContact CG2-CE2 3.46Å; V456-Y520 VanDerWaalsContact CG2-CE2 3.46Å; F516-Y520 HydrophobicContact CZ-CD2 4.36Å; F516-Y520 VanDerWaalsContact O-CB 3.29Å; F516-Y520 WeakPolarHBondContact O-CB 3.32Å; F516-Y520 PolarHBondContact O-N 2.98Å; S517-Y520 PolarHBondContact O-N 3.06Å; Y520-I525 HydrophobicContact CD2-CD1 3.75Å; Y520-I525 HydrophobicContact CD2-CG1 4.16Å; Y520-I525 HydrophobicContact CE2-CD1 4.2Å; Y520-I525 HydrophobicContact CE2-CG1 4.45Å
521E95.8Very high95.6Very high146 Ų14651 Ų5168%0.68228%0.28SS*.Hα-helixtrans-73.8-39.9177.2-176.3177.7-171.900113S517 G518 F519S517-E521 PolarHBondContact O-N 3.36Å; S517-E521 VanDerWaalsContact O-N 3.14Å; G518-E521 PolarHBondContact O-N 3.24Å; F519-E521 VanDerWaalsContact C-N 3.26Å; F519-E521 PolarHBondContact O-N 3.18Å
522H96Very high95.5Very high113 Ų11351.7 Ų51.752%0.52328%0.281SS..Hα-helixtrans-97.8-20.2-171.6-64.374.9000113.8R478 G518 F519 P524R478-H522 HydrophobicContact CG-CB 4.43Å; G518-H522 PolarHBondContact O-N 3.45Å; G518-H522 VanDerWaalsContact O-N 3.15Å; G518-H522 PolarHBondContact O-ND1 3.45Å; F519-H522 PolarHBondContact O-N 3.42Å; H522-P524 WeakPolarHBondContact O-CD 3.48Å
523C96.5Very high95.3Very high3 Ų351.9 Ų51.92%0.0228%0.282CS..SBendtrans-121.284.9-178.1-58.70000109.5F519 I525F519-C523 HydrophobicContact CD2-CB 3.6Å; F519-C523 HydrophobicContact CE2-CB 3.58Å; F519-C523 WeakPolarHBondContact O-CA 3.29Å; F519-C523 VanDerWaalsContact O-CB 3.27Å; F519-C523 WeakPolarHBondContact O-CB 3.49Å; F519-C523 PolarHBondContact O-N 3.17Å; C523-I525 PolarHBondContact O-N 2.77Å
524P95.1Very high95.2Very high57 Ų5754.4 Ų54.437%0.3729%0.291SS..  trans-55.5124.4-175.7-25.833.8000112.3H522 S527 A528 R537H522-P524 WeakPolarHBondContact O-CD 3.48Å; P524-S527 WeakPolarHBondContact CB-OG 3.41Å; P524-A528 WeakPolarHBondContact O-CB 3.5Å; P524-R537 WeakPolarHBondContact O-CD 3.24Å; P524-R537 PolarHBondContact O-NH1 2.97Å
525I95.7Very high95.2Very high3 Ų353 Ų532%0.01528%0.275CS..SBendtrans-84.3-59.6-178.3-52.4-172.6000110.4V456 F519 Y520 C523 S527 A528 R534 R537 L538 A541V456-I525 HydrophobicContact CG1-CB 4.36Å; V456-I525 HydrophobicContact CG1-CD1 4.07Å; V456-I525 HydrophobicContact CG1-CG2 4.05Å; F519-I525 HydrophobicContact CE1-CD1 3.72Å; F519-I525 HydrophobicContact CE1-CG1 4.32Å; F519-I525 HydrophobicContact CZ-CD1 4.06Å; F519-I525 HydrophobicContact CZ-CG1 4.24Å; Y520-I525 HydrophobicContact CD2-CD1 3.75Å; Y520-I525 HydrophobicContact CD2-CG1 4.16Å; Y520-I525 HydrophobicContact CE2-CD1 4.2Å; Y520-I525 HydrophobicContact CE2-CG1 4.45Å; C523-I525 PolarHBondContact O-N 2.77Å; I525-S527 VanDerWaalsContact C-N 3.34Å; I525-S527 PolarHBondContact O-N 3.04Å; I525-A528 WeakPolarHBondContact O-CB 3.38Å; I525-A528 PolarHBondContact O-N 3.01Å; I525-R534 WeakPolarHBondContact O-CG 3.31Å; I525-R537 HydrophobicContact CB-CB 4.39Å; I525-R537 HydrophobicContact CG1-CB 4.07Å; I525-R537 HydrophobicContact CG2-CB 4.04Å; I525-L538 HydrophobicContact CG2-CD2 3.69Å; I525-L538 HydrophobicContact CG2-CG 3.79Å; I525-A541 HydrophobicContact CD1-CB 4.33Å
526L93Very high95.2Very high69 Ų6950.8 Ų50.836%0.36126%0.264SS..THydrogen-bonded Turntrans-70.5-31-172.4-59-179.8000113.2V456 K459 A460V456-L526 HydrophobicContact CG1-CD2 4.34Å; K459-L526 HydrophobicContact CB-CD1 3.7Å; K459-L526 HydrophobicContact CD-CD1 4.31Å; A460-L526 HydrophobicContact CB-CD2 3.55Å
527S93.4Very high95.1Very high96 Ų9651.1 Ų51.167%0.67127%0.265SS*.THydrogen-bonded Turntrans-10830.8178.166.30000112P524 I525P524-S527 WeakPolarHBondContact CB-OG 3.41Å; I525-S527 VanDerWaalsContact C-N 3.34Å; I525-S527 PolarHBondContact O-N 3.04Å
528A93Very high95.2Very high19 Ų1949.8 Ų49.816%0.15726%0.256CS..  trans-59.6157.5173.900000111.1P524 I525 N530 V533 R534P524-A528 WeakPolarHBondContact O-CB 3.5Å; I525-A528 WeakPolarHBondContact O-CB 3.38Å; I525-A528 PolarHBondContact O-N 3.01Å; A528-N530 PolarHBondContact O-N 3.14Å; A528-V533 HydrophobicContact CB-CB 4.31Å; A528-V533 HydrophobicContact CB-CG1 4.02Å; A528-R534 HydrophobicContact CB-CB 3.95Å
529E91.8Very high95.2Very high126 Ų12649.2 Ų49.259%0.58925%0.248SC*.SBendtrans-61.7-27-174.362.9-118.6-145.900114.6R475 V533R475-E529 IonicContact NH1-OE1 3.73Å; R475-E529 PolarHBondContact NH1-OE1 3.21Å; E529-V533 HydrophobicContact CG-CB 4.43Å; E529-V533 HydrophobicContact CG-CG2 4.14Å
530N93.1Very high95.2Very high66 Ų6649.2 Ų49.235%0.35325%0.248SC..SBendtrans-156.8170.3178.563.952.6000110.6A528 E532 V533 R534A528-N530 PolarHBondContact O-N 3.14Å; N530-E532 VanDerWaalsContact C-N 3.34Å; N530-E532 PolarHBondContact O-N 3.43Å; N530-E532 WeakPolarHBondContact OD1-CB 3.3Å; N530-E532 PolarHBondContact OD1-N 2.65Å; N530-E532 VanDerWaalsContact OD1-N 3.11Å; N530-V533 PolarHBondContact O-N 2.95Å; N530-V533 WeakPolarHBondContact OD1-CG2 3.35Å; N530-V533 PolarHBondContact OD1-N 3.23Å; N530-R534 WeakPolarHBondContact O-CB 3.45Å; N530-R534 PolarHBondContact O-N 3.2Å
531E92.5Very high95.3Very high104 Ų10446.3 Ų46.349%0.48624%0.237SC..Hα-helixtrans-66-32.5-176.5-171.5167-147.600113.8Q466 R534 N535Q466-E531 PolarHBondContact NE2-OE1 3.17Å; Q466-E531 PolarHBondContact NE2-OE2 3.27Å; Q466-E531 PolarHBondContact OE1-OE1 3.07Å; E531-R534 WeakPolarHBondContact O-CB 3.5Å; E531-R534 PolarHBondContact O-N 3.16Å; E531-N535 WeakPolarHBondContact O-CB 3.44Å; E531-N535 PolarHBondContact O-N 3Å; E531-N535 PolarHBondContact O-ND2 2.91Å
532E93.8Very high95.3Very high89 Ų8942.2 Ų42.242%0.41622%0.218SC..Hα-helixtrans-65-48.3178.1-169-172.2-151.900111.1P471 I473 R475 N530 N535 S536P471-E532 HydrophobicContact CG-CG 4.28Å; I473-E532 HydrophobicContact CD1-CG 3.52Å; I473-E532 WeakPolarHBondContact CD1-OE1 3.43Å; R475-E532 IonicContact NH2-OE2 3.14Å; N530-E532 VanDerWaalsContact C-N 3.34Å; N530-E532 PolarHBondContact O-N 3.43Å; N530-E532 WeakPolarHBondContact OD1-CB 3.3Å; N530-E532 PolarHBondContact OD1-N 2.65Å; N530-E532 VanDerWaalsContact OD1-N 3.11Å; E532-N535 PolarHBondContact O-N 2.79Å; E532-S536 PolarHBondContact O-N 3.3Å
533V95.1Very high95.4Very high4 Ų436.9 Ų36.92%0.02419%0.193CC..Hα-helixtrans-66.4-41.3176.5176.40000110.8A528 E529 N530 N535 S536 R537A528-V533 HydrophobicContact CB-CB 4.31Å; A528-V533 HydrophobicContact CB-CG1 4.02Å; E529-V533 HydrophobicContact CG-CB 4.43Å; E529-V533 HydrophobicContact CG-CG2 4.14Å; N530-V533 PolarHBondContact O-N 2.95Å; N530-V533 WeakPolarHBondContact OD1-CG2 3.35Å; N530-V533 PolarHBondContact OD1-N 3.23Å; V533-N535 PolarHBondContact O-N 2.87Å; V533-S536 PolarHBondContact O-N 3.26Å; V533-R537 HydrophobicContact CG1-CG 4.45Å; V533-R537 WeakPolarHBondContact O-CB 3.49Å; V533-R537 WeakPolarHBondContact O-CG 3.41Å; V533-R537 PolarHBondContact O-N 3.03Å
534R95.4Very high95.5Very high54 Ų5436.8 Ų36.820%0.20419%0.193CC..Hα-helixtrans-55.5-50.3174.3-179.7174.7-179.7-87.810.6111.4A460 I525 A528 N530 E531 R537 L538A460-R534 PolarHBondContact O-NH2 3.14Å; I525-R534 WeakPolarHBondContact O-CG 3.31Å; A528-R534 HydrophobicContact CB-CB 3.95Å; N530-R534 WeakPolarHBondContact O-CB 3.45Å; N530-R534 PolarHBondContact O-N 3.2Å; E531-R534 WeakPolarHBondContact O-CB 3.5Å; E531-R534 PolarHBondContact O-N 3.16Å; R534-R537 PolarHBondContact O-N 3.33Å; R534-L538 HydrophobicContact CG-CD1 4.15Å; R534-L538 WeakPolarHBondContact O-CG 3.34Å; R534-L538 PolarHBondContact O-N 3.48Å
535N95.9Very high95.7Very high9 Ų934.5 Ų34.55%0.04818%0.178CC..Hα-helixtrans-69.5-38.2-177.8-69.8-12000111.8L467 A470 E531 E532 V533 R537 L538 K539L467-N535 HydrophobicContact CD1-CB 4.07Å; L467-N535 WeakPolarHBondContact CD1-O 3.4Å; A470-N535 HydrophobicContact CB-CB 3.57Å; E531-N535 WeakPolarHBondContact O-CB 3.44Å; E531-N535 PolarHBondContact O-N 3Å; E531-N535 PolarHBondContact O-ND2 2.91Å; E532-N535 PolarHBondContact O-N 2.79Å; V533-N535 PolarHBondContact O-N 2.87Å; N535-R537 PolarHBondContact O-N 3.47Å; N535-L538 PolarHBondContact O-N 3.06Å; N535-K539 WeakPolarHBondContact O-CG 3.45Å; N535-K539 PolarHBondContact O-N 2.78Å
536S97.1Very high95.8Very high1 Ų138 Ų381%0.00719%0.194CC..Hα-helixtrans-57.2-47.5170.91770000112I473 E532 V533 L538 K539 L540I473-S536 PolarHBondContact N-OG 3.37Å; I473-S536 PolarHBondContact O-OG 3.25Å; E532-S536 PolarHBondContact O-N 3.3Å; V533-S536 PolarHBondContact O-N 3.26Å; S536-L538 PolarHBondContact O-N 2.83Å; S536-K539 WeakPolarHBondContact O-CB 3.44Å; S536-K539 PolarHBondContact O-N 3.47Å; S536-K539 VanDerWaalsContact O-N 3.14Å; S536-L540 PolarHBondContact O-N 3.14Å; S536-L540 VanDerWaalsContact O-N 3.09Å
537R97.3Very high96Very high10 Ų1034.8 Ų34.84%0.03818%0.177CC..Hα-helixtrans-66.3-36.7178.3-73-179.2177.6159.34112.7E479 F519 P524 I525 V533 R534 N535 K539 L540 A541E479-R537 IonicContact OE1-CZ 2.85Å; E479-R537 IonicContact OE1-NE 2.74Å; E479-R537 PolarHBondContact OE1-NE 3.14Å; E479-R537 IonicContact OE1-NH2 3.92Å; E479-R537 PolarHBondContact OE1-NH2 3.28Å; F519-R537 HydrophobicContact CE2-CB 4.47Å; F519-R537 HydrophobicContact CE2-CG 3.98Å; F519-R537 HydrophobicContact CZ-CB 3.86Å; F519-R537 HydrophobicContact CZ-CG 3.88Å; P524-R537 WeakPolarHBondContact O-CD 3.24Å; P524-R537 PolarHBondContact O-NH1 2.97Å; I525-R537 HydrophobicContact CB-CB 4.39Å; I525-R537 HydrophobicContact CG1-CB 4.07Å; I525-R537 HydrophobicContact CG2-CB 4.04Å; V533-R537 HydrophobicContact CG1-CG 4.45Å; V533-R537 WeakPolarHBondContact O-CB 3.49Å; V533-R537 WeakPolarHBondContact O-CG 3.41Å; V533-R537 PolarHBondContact O-N 3.03Å; R534-R537 PolarHBondContact O-N 3.33Å; N535-R537 PolarHBondContact O-N 3.47Å; R537-K539 VanDerWaalsContact C-N 3.32Å; R537-L540 PolarHBondContact O-N 2.95Å; R537-A541 PolarHBondContact O-N 2.82Å
538L97.3Very high96.2Very high0 Ų030.3 Ų30.30%015%0.145CC..Hα-helixtrans-63.2-37.7171.7-74.9170.3000111.6V456 F457 A460 I462 L467 I525 R534 N535 S536 A541 Q542V456-L538 HydrophobicContact CG1-CD2 4.01Å; F457-L538 HydrophobicContact CE1-CD2 4.46Å; F457-L538 WeakPolarHBondContact CZ-O 3.34Å; A460-L538 HydrophobicContact CB-CD1 4.35Å; A460-L538 HydrophobicContact CB-CD2 3.9Å; I462-L538 HydrophobicContact CD1-CD2 4.39Å; I462-L538 HydrophobicContact CG1-CD1 4.4Å; L467-L538 HydrophobicContact CD1-CB 3.76Å; L467-L538 HydrophobicContact CD1-CD1 4.43Å; L467-L538 HydrophobicContact CD2-CB 4.45Å; I525-L538 HydrophobicContact CG2-CD2 3.69Å; I525-L538 HydrophobicContact CG2-CG 3.79Å; R534-L538 HydrophobicContact CG-CD1 4.15Å; R534-L538 WeakPolarHBondContact O-CG 3.34Å; R534-L538 PolarHBondContact O-N 3.48Å; N535-L538 PolarHBondContact O-N 3.06Å; S536-L538 PolarHBondContact O-N 2.83Å; L538-A541 WeakPolarHBondContact O-CB 3.4Å; L538-A541 PolarHBondContact O-N 3.25Å; L538-Q542 WeakPolarHBondContact O-CB 3.36Å; L538-Q542 PolarHBondContact O-N 3.3Å
539K97.3Very high96.5Very high4 Ų434 Ų342%0.01716%0.158CC..Hα-helixtrans-62.9-42.8173.8-78.2-168.5173.7-158.70113Q83 L86 L467 A468 A470 V472 N535 S536 R537 A541 Q542 L543Q83-K539 VanDerWaalsContact NE2-NZ 3.19Å; L86-K539 HydrophobicContact CD1-CB 3.61Å; L86-K539 HydrophobicContact CD1-CD 3.99Å; L86-K539 HydrophobicContact CD1-CG 3.88Å; L467-K539 HydrophobicContact CD1-CG 3.97Å; L467-K539 WeakPolarHBondContact O-CE 3.24Å; L467-K539 PolarHBondContact O-NZ 3.02Å; A468-K539 PolarHBondContact O-NZ 3.09Å; A470-K539 WeakPolarHBondContact O-CE 3.44Å; A470-K539 PolarHBondContact O-NZ 2.84Å; V472-K539 HydrophobicContact CG2-CB 4.02Å; V472-K539 HydrophobicContact CG2-CD 3.56Å; V472-K539 HydrophobicContact CG2-CG 4.44Å; N535-K539 WeakPolarHBondContact O-CG 3.45Å; N535-K539 PolarHBondContact O-N 2.78Å; S536-K539 WeakPolarHBondContact O-CB 3.44Å; S536-K539 PolarHBondContact O-N 3.47Å; S536-K539 VanDerWaalsContact O-N 3.14Å; R537-K539 VanDerWaalsContact C-N 3.32Å; K539-A541 VanDerWaalsContact C-N 3.34Å; K539-A541 PolarHBondContact O-N 3.19Å; K539-Q542 WeakPolarHBondContact O-CB 3.37Å; K539-Q542 PolarHBondContact O-N 3.14Å; K539-Q542 VanDerWaalsContact O-N 3.14Å; K539-L543 PolarHBondContact O-N 3.23Å
540L98.2Very high96.8Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-60.8-43.3173.1-70172.7000111.8V82 I474 E479 L482 A483 L486 F519 S536 R537 Q542 T544V82-L540 HydrophobicContact CG1-CD2 4.12Å; V82-L540 HydrophobicContact CG2-CD2 4.33Å; I474-L540 HydrophobicContact CD1-CD1 4.05Å; I474-L540 HydrophobicContact CD1-CD2 4.12Å; E479-L540 HydrophobicContact CB-CD1 4.04Å; E479-L540 HydrophobicContact CG-CD1 4.06Å; L482-L540 HydrophobicContact CD2-CB 4.17Å; A483-L540 HydrophobicContact CB-CD2 4.09Å; L486-L540 HydrophobicContact CD1-CD2 4.46Å; F519-L540 HydrophobicContact CE1-CB 4.47Å; F519-L540 HydrophobicContact CE2-CD1 4.14Å; F519-L540 HydrophobicContact CZ-CB 4.3Å; F519-L540 HydrophobicContact CZ-CD1 4.2Å; S536-L540 PolarHBondContact O-N 3.14Å; S536-L540 VanDerWaalsContact O-N 3.09Å; R537-L540 PolarHBondContact O-N 2.95Å; L540-Q542 VanDerWaalsContact C-N 3.29Å; L540-Q542 PolarHBondContact O-N 2.92Å; L540-T544 WeakPolarHBondContact O-CB 3.45Å; L540-T544 PolarHBondContact O-N 3.43Å; L540-T544 PolarHBondContact O-OG1 3.12Å
541A97.7Very high97Very high0 Ų026.1 Ų26.10%012%0.12CC..Hα-helixtrans-62.5-37.3173.900000112V453 F457 F516 I525 R537 L538 K539 T544 A545V453-A541 HydrophobicContact CG1-CB 4.22Å; V453-A541 WeakPolarHBondContact CG1-O 3.32Å; F457-A541 HydrophobicContact CE2-CB 3.85Å; F457-A541 HydrophobicContact CZ-CB 3.91Å; F516-A541 HydrophobicContact CE2-CB 3.81Å; F516-A541 HydrophobicContact CZ-CB 4.31Å; I525-A541 HydrophobicContact CD1-CB 4.33Å; R537-A541 PolarHBondContact O-N 2.82Å; L538-A541 WeakPolarHBondContact O-CB 3.4Å; L538-A541 PolarHBondContact O-N 3.25Å; K539-A541 VanDerWaalsContact C-N 3.34Å; K539-A541 PolarHBondContact O-N 3.19Å; A541-T544 WeakPolarHBondContact O-CB 3.45Å; A541-T544 PolarHBondContact O-N 2.79Å; A541-A545 PolarHBondContact O-N 3.26Å
542Q97Very high97.3Very high59 Ų5921.2 Ų21.228%0.27610%0.097SC..Hα-helixtrans-67.7-46.9-178.7-171.6-177.430.100110.4L86 F457 L538 K539 L540 T544 A545 K546L86-Q542 HydrophobicContact CD2-CB 4.06Å; L86-Q542 HydrophobicContact CD2-CG 3.96Å; F457-Q542 HydrophobicContact CE1-CB 4.08Å; F457-Q542 HydrophobicContact CE1-CG 4.48Å; F457-Q542 HydrophobicContact CZ-CB 3.67Å; F457-Q542 HydrophobicContact CZ-CG 4.38Å; L538-Q542 WeakPolarHBondContact O-CB 3.36Å; L538-Q542 PolarHBondContact O-N 3.3Å; K539-Q542 WeakPolarHBondContact O-CB 3.37Å; K539-Q542 PolarHBondContact O-N 3.14Å; K539-Q542 VanDerWaalsContact O-N 3.14Å; L540-Q542 VanDerWaalsContact C-N 3.29Å; L540-Q542 PolarHBondContact O-N 2.92Å; Q542-T544 VanDerWaalsContact C-N 3.27Å; Q542-T544 PolarHBondContact O-N 3.05Å; Q542-A545 PolarHBondContact O-N 3.04Å; Q542-K546 WeakPolarHBondContact O-CG 3.37Å; Q542-K546 PolarHBondContact O-N 3Å
543L98Very high97.5Very high2 Ų220.7 Ų20.71%0.0110%0.097CC..Hα-helixtrans-64.5-36.4176.7-173.556.6000110.8V82 A85 L86 L91 L486 K539 K546 T547V82-L543 HydrophobicContact CB-CD2 4.3Å; V82-L543 HydrophobicContact CG1-CD2 3.85Å; V82-L543 HydrophobicContact CG2-CD2 4.22Å; A85-L543 HydrophobicContact CB-CD1 4.07Å; A85-L543 HydrophobicContact CB-CD2 3.98Å; L86-L543 HydrophobicContact CD2-CB 3.76Å; L86-L543 HydrophobicContact CD2-CD1 4.29Å; L86-L543 HydrophobicContact CG-CB 4.06Å; L86-L543 HydrophobicContact CG-CD1 4.44Å; L91-L543 HydrophobicContact CB-CD1 4.41Å; L91-L543 HydrophobicContact CD2-CD1 4.06Å; L486-L543 HydrophobicContact CB-CD2 3.97Å; L486-L543 HydrophobicContact CB-CG 4.3Å; L486-L543 HydrophobicContact CD1-CB 4.13Å; L486-L543 HydrophobicContact CD1-CD2 4.01Å; L486-L543 HydrophobicContact CD1-CG 4.05Å; L486-L543 HydrophobicContact CD2-CG 4.2Å; L486-L543 HydrophobicContact CG-CD2 4.45Å; L486-L543 HydrophobicContact CG-CG 4.42Å; K539-L543 PolarHBondContact O-N 3.23Å; L543-K546 PolarHBondContact O-N 3.45Å; L543-T547 VanDerWaalsContact O-CB 3.27Å; L543-T547 WeakPolarHBondContact O-CB 3.44Å; L543-T547 PolarHBondContact O-N 2.89Å; L543-T547 PolarHBondContact O-OG1 3.36Å
544T98.5Very high97.7Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-59.7-49.9172.4-56.40000111.8V453 L512 F516 L540 A541 Q542 K546 T547 L548V453-T544 HydrophobicContact CG2-CG2 4.08Å; L512-T544 HydrophobicContact CG-CG2 4.42Å; F516-T544 HydrophobicContact CB-CG2 3.94Å; F516-T544 HydrophobicContact CD2-CG2 3.79Å; F516-T544 HydrophobicContact CG-CG2 3.91Å; L540-T544 WeakPolarHBondContact O-CB 3.45Å; L540-T544 PolarHBondContact O-N 3.43Å; L540-T544 PolarHBondContact O-OG1 3.12Å; A541-T544 WeakPolarHBondContact O-CB 3.45Å; A541-T544 PolarHBondContact O-N 2.79Å; Q542-T544 VanDerWaalsContact C-N 3.27Å; Q542-T544 PolarHBondContact O-N 3.05Å; T544-K546 PolarHBondContact O-N 3.44Å; T544-T547 PolarHBondContact O-N 2.96Å; T544-L548 HydrophobicContact CG2-CD1 3.97Å; T544-L548 HydrophobicContact CG2-CG 4.27Å; T544-L548 WeakPolarHBondContact O-CB 3.34Å; T544-L548 WeakPolarHBondContact O-CG 3.4Å; T544-L548 PolarHBondContact O-N 3.29Å
545A97.7Very high97.8Very high9 Ų918.2 Ų18.27%0.0749%0.087CC..Hα-helixtrans-59.4-47178.100000111.8Y450 V453 L454 A541 Q542 T547 K549Y450-A545 HydrophobicContact CD2-CB 4.48Å; Y450-A545 HydrophobicContact CE2-CB 4.12Å; Y450-A545 WeakPolarHBondContact CE2-O 3.33Å; V453-A545 HydrophobicContact CB-CB 4.43Å; V453-A545 HydrophobicContact CG1-CB 3.74Å; L454-A545 HydrophobicContact CD2-CB 4.26Å; A541-A545 PolarHBondContact O-N 3.26Å; Q542-A545 PolarHBondContact O-N 3.04Å; A545-T547 VanDerWaalsContact C-N 3.35Å; A545-T547 PolarHBondContact O-N 3.39Å; A545-K549 WeakPolarHBondContact O-CB 3.48Å; A545-K549 PolarHBondContact O-N 3.39Å
546K97.8Very high97.9Very high78 Ų7817.8 Ų17.834%0.3399%0.086SC..Hα-helixtrans-61-43.7178.2-71-175.1176.6-170.90111.7L86 L91 Q542 L543 T544 K549 L550L86-K546 PolarHBondContact O-NZ 3.46Å; L91-K546 HydrophobicContact CD1-CB 4.17Å; L91-K546 HydrophobicContact CD2-CB 3.64Å; L91-K546 HydrophobicContact CD2-CD 3.74Å; L91-K546 HydrophobicContact CD2-CG 4.32Å; Q542-K546 WeakPolarHBondContact O-CG 3.37Å; Q542-K546 PolarHBondContact O-N 3Å; L543-K546 PolarHBondContact O-N 3.45Å; T544-K546 PolarHBondContact O-N 3.44Å; K546-K549 PolarHBondContact O-N 3.4Å; K546-L550 WeakPolarHBondContact O-CB 3.49Å; K546-L550 PolarHBondContact O-N 3.4Å
547T98.5Very high98Very high1 Ų118 Ų181%0.0069%0.086CC..Hα-helixtrans-67.9-44.7-179.5-55.50000111.9L486 F489 Y508 L512 L543 T544 A545 K549 L550 G551L486-T547 HydrophobicContact CD2-CG2 4.33Å; F489-T547 HydrophobicContact CB-CG2 4.27Å; F489-T547 HydrophobicContact CD1-CG2 4.17Å; F489-T547 HydrophobicContact CD2-CG2 3.86Å; F489-T547 HydrophobicContact CE1-CG2 4.49Å; F489-T547 HydrophobicContact CE2-CG2 4.18Å; F489-T547 HydrophobicContact CG-CG2 3.84Å; F489-T547 HydrophobicContact CZ-CG2 4.49Å; Y508-T547 HydrophobicContact CE1-CG2 3.92Å; Y508-T547 WeakPolarHBondContact OH-CG2 3.23Å; L512-T547 HydrophobicContact CD2-CG2 3.68Å; L543-T547 VanDerWaalsContact O-CB 3.27Å; L543-T547 WeakPolarHBondContact O-CB 3.44Å; L543-T547 PolarHBondContact O-N 2.89Å; L543-T547 PolarHBondContact O-OG1 3.36Å; T544-T547 PolarHBondContact O-N 2.96Å; A545-T547 VanDerWaalsContact C-N 3.35Å; A545-T547 PolarHBondContact O-N 3.39Å; T547-K549 VanDerWaalsContact C-N 3.34Å; T547-K549 PolarHBondContact O-N 2.93Å; T547-L550 PolarHBondContact O-N 2.88Å; T547-G551 PolarHBondContact O-N 3.37Å
548L98.3Very high97.9Very high1 Ų122 Ų221%0.00511%0.106CC..Hα-helixtrans-60.7-44.3175.4-73.3177.4000111.4M446 Y450 V453 L509 L512 T544 L552M446-L548 HydrophobicContact CE-CD2 3.63Å; Y450-L548 HydrophobicContact CD2-CB 4.22Å; V453-L548 HydrophobicContact CG2-CD1 4.3Å; L509-L548 HydrophobicContact CB-CD2 4.43Å; L509-L548 HydrophobicContact CD2-CD2 4.07Å; L512-L548 HydrophobicContact CD2-CD2 4.05Å; L512-L548 HydrophobicContact CD2-CG 4.27Å; L512-L548 HydrophobicContact CG-CD2 4.42Å; T544-L548 HydrophobicContact CG2-CD1 3.97Å; T544-L548 HydrophobicContact CG2-CG 4.27Å; T544-L548 WeakPolarHBondContact O-CB 3.34Å; T544-L548 WeakPolarHBondContact O-CG 3.4Å; T544-L548 PolarHBondContact O-N 3.29Å; L548-L552 WeakPolarHBondContact O-CB 3.33Å; L548-L552 VanDerWaalsContact O-CG 3.31Å; L548-L552 WeakPolarHBondContact O-CG 2.74Å; L548-L552 PolarHBondContact O-N 2.61Å
549K98Very high97.8Very high97 Ų9723.5 Ų23.542%0.42212%0.115SC..Hα-helixtrans-61.1-50.6178-178.5172.8-175.71320111.8Y450 A545 K546 T547 L552 D553 T559Y450-K549 HydrophobicContact CD2-CB 4.45Å; Y450-K549 HydrophobicContact CE2-CB 3.85Å; A545-K549 WeakPolarHBondContact O-CB 3.48Å; A545-K549 PolarHBondContact O-N 3.39Å; K546-K549 PolarHBondContact O-N 3.4Å; T547-K549 VanDerWaalsContact C-N 3.34Å; T547-K549 PolarHBondContact O-N 2.93Å; K549-L552 PolarHBondContact O-N 2.88Å; K549-D553 WeakPolarHBondContact O-CB 3.37Å; K549-D553 PolarHBondContact O-N 3.47Å; K549-T559 HydrophobicContact CB-CG2 4.21Å; K549-T559 HydrophobicContact CG-CG2 4.1Å
550L98.1Very high97.5Very high27 Ų2724.1 Ų24.114%0.14112%0.119CC..Hα-helixtrans-64.9-43.2-179.917857.2000111.7L91 F134 F489 K546 T547 L552 D553 T554L91-L550 HydrophobicContact CD1-CB 4.33Å; L91-L550 HydrophobicContact CD1-CD2 3.8Å; L91-L550 HydrophobicContact CG-CD2 4.2Å; F134-L550 HydrophobicContact CD2-CD1 3.74Å; F134-L550 HydrophobicContact CD2-CD2 4.23Å; F134-L550 HydrophobicContact CE1-CD2 4.08Å; F134-L550 HydrophobicContact CE2-CD1 3.76Å; F134-L550 HydrophobicContact CE2-CD2 3.48Å; F134-L550 VanDerWaalsContact CE2-CD2 3.48Å; F134-L550 HydrophobicContact CE2-CG 4.22Å; F134-L550 HydrophobicContact CG-CD1 4.39Å; F134-L550 HydrophobicContact CZ-CD1 4.42Å; F134-L550 HydrophobicContact CZ-CD2 3.41Å; F134-L550 VanDerWaalsContact CZ-CD2 3.41Å; F134-L550 HydrophobicContact CZ-CG 4.43Å; F489-L550 HydrophobicContact CE1-CD2 3.63Å; F489-L550 HydrophobicContact CE1-CG 4.04Å; F489-L550 HydrophobicContact CZ-CB 4.48Å; F489-L550 HydrophobicContact CZ-CD2 4.2Å; F489-L550 HydrophobicContact CZ-CG 4.09Å; K546-L550 WeakPolarHBondContact O-CB 3.49Å; K546-L550 PolarHBondContact O-N 3.4Å; T547-L550 PolarHBondContact O-N 2.88Å; L550-L552 PolarHBondContact O-N 3.08Å; L550-D553 PolarHBondContact O-N 3.17Å; L550-T554 HydrophobicContact CD1-CG2 4.42Å; L550-T554 WeakPolarHBondContact O-CG2 3.33Å; L550-T554 PolarHBondContact O-N 3.46Å
551G98.4Very high96.9Very high0 Ų030.3 Ų30.30%015%0.148CC..Hα-helixtrans-60.3-45.2175.800000113T547 D553 T554 L555T547-G551 PolarHBondContact O-N 3.37Å; G551-D553 VanDerWaalsContact C-N 3.35Å; G551-T554 PolarHBondContact O-N 2.93Å; G551-T554 PolarHBondContact O-OG1 3.05Å; G551-L555 WeakPolarHBondContact O-CG 3.48Å; G551-L555 PolarHBondContact O-N 3.41Å
552L98.4Very high96.1Very high0 Ų037.7 Ų37.70%018%0.176CC..Hα-helixtrans-64.9-38.6174.9-73169.3000112M446 L509 L548 K549 L550 T554 L555 G556 I557 T559M446-L552 HydrophobicContact CB-CD1 4.47Å; M446-L552 HydrophobicContact CB-CD2 4.09Å; L509-L552 HydrophobicContact CD1-CD2 4.31Å; L509-L552 HydrophobicContact CD1-CG 4.34Å; L548-L552 WeakPolarHBondContact O-CB 3.33Å; L548-L552 VanDerWaalsContact O-CG 3.31Å; L548-L552 WeakPolarHBondContact O-CG 2.74Å; L548-L552 PolarHBondContact O-N 2.61Å; K549-L552 PolarHBondContact O-N 2.88Å; L550-L552 PolarHBondContact O-N 3.08Å; L552-T554 PolarHBondContact O-N 2.59Å; L552-L555 CarbonylContact O-C 3.52Å; L552-L555 WeakPolarHBondContact O-CA 3.19Å; L552-L555 WeakPolarHBondContact O-CB 3.35Å; L552-L555 PolarHBondContact O-N 3.13Å; L552-G556 PolarHBondContact O-N 2.98Å; L552-G556 VanDerWaalsContact O-N 3.17Å; L552-I557 CarbonylContact C-O 3.42Å; L552-I557 HydrophobicContact CB-CB 4.32Å; L552-I557 HydrophobicContact CD2-CB 4.15Å; L552-I557 HydrophobicContact CD2-CD1 4.25Å; L552-I557 HydrophobicContact CD2-CG2 4.05Å; L552-I557 PolarHBondContact O-N 3.44Å; L552-T559 HydrophobicContact CB-CG2 4.23Å; L552-T559 HydrophobicContact CD1-CG2 3.76Å
553D98.1Very high95.4Very high79 Ų7936.8 Ų36.842%0.42217%0.172SC..Hα-helixtrans-62.8-40175-178.764.9000112R130 K549 L550 G551 L555 G556R130-D553 WeakPolarHBondContact CD-O 3.32Å; R130-D553 PolarHBondContact NH1-O 3.11Å; R130-D553 IonicContact NH1-OD1 3.04Å; K549-D553 WeakPolarHBondContact O-CB 3.37Å; K549-D553 PolarHBondContact O-N 3.47Å; L550-D553 PolarHBondContact O-N 3.17Å; G551-D553 VanDerWaalsContact C-N 3.35Å; D553-L555 PolarHBondContact O-N 3.02Å; D553-G556 WeakPolarHBondContact O-CA 3.38Å; D553-G556 PolarHBondContact O-N 3.49Å
554T98.3Very high95.2Very high2 Ų238.5 Ų38.51%0.01218%0.18CC..Hα-helixtrans-63.6-20.3172.661.60000113.7A127 L493 L550 G551 L552 G556A127-T554 VanDerWaalsContact CA-O 3.22Å; A127-T554 WeakPolarHBondContact CA-O 3.31Å; L493-T554 HydrophobicContact CD2-CG2 4.24Å; L550-T554 HydrophobicContact CD1-CG2 4.42Å; L550-T554 WeakPolarHBondContact O-CG2 3.33Å; L550-T554 PolarHBondContact O-N 3.46Å; G551-T554 PolarHBondContact O-N 2.93Å; G551-T554 PolarHBondContact O-OG1 3.05Å; L552-T554 PolarHBondContact O-N 2.59Å; T554-G556 VanDerWaalsContact C-N 3.35Å
555L98.6Very high95.1Very high3 Ų340.5 Ų40.52%0.01619%0.189CC..THydrogen-bonded Turntrans-90.8-0.6171.2-61.1171.7000112.4A127 K416 Y417 L420 P502 M505 L509 G551 L552 D553 I557A127-L555 HydrophobicContact CB-CD2 4.4Å; K416-L555 WeakPolarHBondContact CD-O 3.5Å; Y417-L555 HydrophobicContact CD2-CD1 4.37Å; Y417-L555 HydrophobicContact CE2-CD1 4.27Å; L420-L555 HydrophobicContact CD1-CB 4.1Å; L420-L555 HydrophobicContact CD1-CD2 4.02Å; P502-L555 HydrophobicContact CB-CD2 3.9Å; M505-L555 HydrophobicContact CB-CD2 4.17Å; M505-L555 HydrophobicContact CG-CD1 4.07Å; M505-L555 HydrophobicContact CG-CD2 4.1Å; M505-L555 HydrophobicContact CG-CG 4.03Å; L509-L555 HydrophobicContact CD1-CD1 3.87Å; G551-L555 WeakPolarHBondContact O-CG 3.48Å; G551-L555 PolarHBondContact O-N 3.41Å; L552-L555 CarbonylContact O-C 3.52Å; L552-L555 WeakPolarHBondContact O-CA 3.19Å; L552-L555 WeakPolarHBondContact O-CB 3.35Å; L552-L555 PolarHBondContact O-N 3.13Å; D553-L555 PolarHBondContact O-N 3.02Å; L555-I557 VanDerWaalsContact C-N 3.29Å; L555-I557 HydrophobicContact CB-CD1 3.96Å; L555-I557 HydrophobicContact CB-CG1 4.11Å; L555-I557 HydrophobicContact CD1-CD1 4.37Å; L555-I557 PolarHBondContact O-N 3.48Å
556G98.2Very high94.9Very high1 Ų142.3 Ų42.31%0.0120%0.196CC..THydrogen-bonded Turntrans65.829.1-174.200000113.4N233 K416 L552 D553 T554N233-G556 PolarHBondContact ND2-O 3.43Å; K416-G556 WeakPolarHBondContact CD-O 3.37Å; K416-G556 PolarHBondContact NZ-O 2.83Å; L552-G556 PolarHBondContact O-N 2.98Å; L552-G556 VanDerWaalsContact O-N 3.17Å; D553-G556 WeakPolarHBondContact O-CA 3.38Å; D553-G556 PolarHBondContact O-N 3.49Å; T554-G556 VanDerWaalsContact C-N 3.35Å
557I98.2Very high94.8Very high4 Ų440.2 Ų40.22%0.02119%0.187CC..  trans-104.6122.4179.9-62.1172.6000108.8K416 Y417 L552 L555K416-I557 HydrophobicContact CB-CD1 4.28Å; K416-I557 HydrophobicContact CB-CG1 4.09Å; K416-I557 HydrophobicContact CD-CG1 4.21Å; Y417-I557 HydrophobicContact CD2-CD1 3.62Å; Y417-I557 HydrophobicContact CG-CD1 4.23Å; L552-I557 CarbonylContact C-O 3.42Å; L552-I557 HydrophobicContact CB-CB 4.32Å; L552-I557 HydrophobicContact CD2-CB 4.15Å; L552-I557 HydrophobicContact CD2-CD1 4.25Å; L552-I557 HydrophobicContact CD2-CG2 4.05Å; L552-I557 PolarHBondContact O-N 3.44Å; L555-I557 VanDerWaalsContact C-N 3.29Å; L555-I557 HydrophobicContact CB-CD1 3.96Å; L555-I557 HydrophobicContact CB-CG1 4.11Å; L555-I557 HydrophobicContact CD1-CD1 4.37Å; L555-I557 PolarHBondContact O-N 3.48Å
558E96.2Very high94.5Very high96 Ų9642.6 Ų42.645%0.44920%0.198SC..  trans-71.4135.6178.2-62.7-174.7129.100111.2A409 Q447A409-E558 HydrophobicContact CB-CB 4.29Å; Q447-E558 PolarHBondContact NE2-O 3.45Å
559T94.3Very high94.3Very high31 Ų3145.4 Ų45.419%0.1921%0.211CC..  trans-86.6143.7169.6560000111.1Y450 K549 L552Y450-T559 HydrophobicContact CD1-CG2 3.95Å; Y450-T559 HydrophobicContact CD2-CG2 4.48Å; Y450-T559 HydrophobicContact CE1-CG2 4.08Å; Y450-T559 HydrophobicContact CG-CG2 4.15Å; K549-T559 HydrophobicContact CB-CG2 4.21Å; K549-T559 HydrophobicContact CG-CG2 4.1Å; L552-T559 HydrophobicContact CB-CG2 4.23Å; L552-T559 HydrophobicContact CD1-CG2 3.76Å
560V90.5Very high94Very high17 Ų1741.7 Ų41.710%0.10320%0.196CC..  trans-108.5146.8174-64.70000110.3L406 A409 Q447 Y450 T451 M563L406-V560 HydrophobicContact CD1-CB 3.99Å; L406-V560 HydrophobicContact CD1-CG1 3.72Å; L406-V560 HydrophobicContact CD1-CG2 3.79Å; A409-V560 HydrophobicContact CB-CG1 3.61Å; Q447-V560 HydrophobicContact CB-CG2 4.22Å; Y450-V560 VanDerWaalsContact CD1-O 3.28Å; Y450-V560 WeakPolarHBondContact CD1-O 3.3Å; Y450-V560 WeakPolarHBondContact CE1-O 3.49Å; T451-V560 HydrophobicContact CG2-CG2 3.81Å; T451-V560 WeakPolarHBondContact CG2-O 3.41Å; V560-M563 HydrophobicContact CG2-CB 4.19Å
561E86.5Confident93.7Very high130 Ų13042.8 Ų42.861%0.60720%0.201SC*.SBendtrans-86.9-22.3-178.8-64.1-170.8174.400113.2L454 R458L454-E561 HydrophobicContact CD1-CB 4.27Å; L454-E561 HydrophobicContact CD1-CG 4.28Å; R458-E561 PolarHBondContact NH1-O 3.5Å
562R81Confident93.3Very high155 Ų15546.4 Ų46.459%0.58522%0.217SC*.  trans-139.6140.7179.7-61.2-179.3-176.8-174.10.1108.7
563M81.5Confident92.8Very high39 Ų3950.6 Ų50.619%0.19224%0.237CC..  trans-152.80179.8-174175.2-148.100110.1N395 L406 V410 F438 P444 Q447 T451 V560N395-M563 PolarHBondContact ND2-OXT 3.31Å; N395-M563 PolarHBondContact OD1-OXT 2.7Å; L406-M563 HydrophobicContact CD1-CB 4.42Å; L406-M563 HydrophobicContact CD1-CE 4.39Å; L406-M563 HydrophobicContact CD1-CG 4.2Å; L406-M563 HydrophobicContact CD2-CG 4.41Å; V410-M563 HydrophobicContact CG1-CE 4.45Å; V410-M563 HydrophobicContact CG2-CE 3.32Å; F438-M563 HydrophobicContact CD1-CE 4.48Å; F438-M563 HydrophobicContact CE1-CE 3.37Å; F438-M563 HydrophobicContact CE1-CG 4.44Å; F438-M563 HydrophobicContact CE1-SD 3.81Å; F438-M563 HydrophobicContact CZ-CE 3.68Å; P444-M563 HydrophobicContact CB-CE 4.45Å; Q447-M563 HydrophobicContact CB-SD 4.37Å; T451-M563 HydrophobicContact CG2-CB 3.91Å; V560-M563 HydrophobicContact CG2-CB 4.19Å

Retrieved 563 of 563 residues in 2021.2 ms (Link to these results)

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