A0A087X5K2_POEFO Loading...

Protein MAK16 homolog

AlphaFold DB , UniProt , Accession A0A087X5K2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1M58.8Low84.9Confident211 Ų21178.9 Ų78.9100%1.03940%0.4SS*.  0128.30-86.1171.6162.600108H3M1-H3 WeakPolarHBondContact CB-NE2 3.35Å; M1-H3 PolarHBondContact O-CD2 3.4Å; M1-H3 VanDerWaalsContact O-CD2 3.23Å
2Q69.1Low84.6Confident94 Ų9472.4 Ų72.444%0.43937%0.367SS..  trans-77.3120.8172.6-164.7102.43.100107.6I7Q2-I7 HydrophobicContact CG-CD1 3.93Å
3H85Confident84.1Confident110 Ų11075.2 Ų75.251%0.50938%0.384SS..  trans-107.196.3-179.8-67.4-80.7000110.3M1 D5 V6 I7M1-H3 WeakPolarHBondContact CB-NE2 3.35Å; M1-H3 PolarHBondContact O-CD2 3.4Å; M1-H3 VanDerWaalsContact O-CD2 3.23Å; H3-D5 PolarHBondContact O-N 3.4Å; H3-V6 HydrophobicContact CB-CB 4.24Å; H3-V6 HydrophobicContact CB-CG2 4.01Å; H3-V6 PolarHBondContact O-N 3.1Å; H3-I7 WeakPolarHBondContact O-CG1 3.3Å; H3-I7 PolarHBondContact O-N 3.36Å; H3-I7 VanDerWaalsContact O-N 3.16Å
4D90.1Very high83.6Confident29 Ų2984.6 Ų84.616%0.15541%0.412CS..Hα-helixtrans-59.6-31.6-175.4-71.42.1000113.1W8 R41 A47 S49D4-W8 WeakPolarHBondContact O-CB 3.39Å; D4-W8 PolarHBondContact O-N 3.19Å; D4-R41 VanDerWaalsContact CB-NH2 3.32Å; D4-A47 WeakPolarHBondContact CA-O 3.44Å; D4-A47 WeakPolarHBondContact CB-O 3.49Å; D4-S49 VanDerWaalsContact OD1-CB 3.31Å; D4-S49 WeakPolarHBondContact OD1-CB 3.25Å; D4-S49 PolarHBondContact OD1-N 3.33Å; D4-S49 PolarHBondContact OD1-OG 3.45Å; D4-S49 PolarHBondContact OD2-N 2.92Å; D4-S49 PolarHBondContact OD2-OG 2.98Å
5D89.7Confident83.7Confident104 Ų10487.3 Ų87.356%0.55642%0.424SS*.Hα-helixtrans-70.4-44.5178.5-67.5-37.9000112.7H3 I7 W8 D9 R41H3-D5 PolarHBondContact O-N 3.4Å; D5-I7 VanDerWaalsContact C-N 3.32Å; D5-I7 PolarHBondContact O-N 3.09Å; D5-W8 PolarHBondContact O-N 3.24Å; D5-D9 PolarHBondContact O-N 3.19Å; D5-R41 IonicContact OD1-CZ 2.94Å; D5-R41 VanDerWaalsContact OD1-CZ 3.27Å; D5-R41 IonicContact OD1-NE 2.61Å; D5-R41 PolarHBondContact OD1-NE 3.11Å; D5-R41 IonicContact OD1-NH2 2.87Å; D5-R41 PolarHBondContact OD1-NH2 3.35Å
6V90.2Very high84.1Confident84 Ų8493.1 Ų93.151%0.50945%0.447SS..Hα-helixtrans-64.1-41.7177.4-179.30000110.3H3 W8 D9 I10H3-V6 HydrophobicContact CB-CB 4.24Å; H3-V6 HydrophobicContact CB-CG2 4.01Å; H3-V6 PolarHBondContact O-N 3.1Å; V6-W8 VanDerWaalsContact C-N 3.29Å; V6-W8 PolarHBondContact O-N 3.07Å; V6-D9 PolarHBondContact O-N 3.23Å; V6-I10 HydrophobicContact CG1-CD1 4.05Å; V6-I10 VanDerWaalsContact O-CG1 3.29Å; V6-I10 WeakPolarHBondContact O-CG1 3.37Å; V6-I10 PolarHBondContact O-N 2.75Å; V6-I10 VanDerWaalsContact O-N 3.12Å
7I90Very high84.6Confident39 Ų3988.2 Ų88.220%0.242%0.424CS..Hα-helixtrans-61.5-40.9176.3-63.9167.4000110.3Q2 H3 D5 I11 A47Q2-I7 HydrophobicContact CG-CD1 3.93Å; H3-I7 WeakPolarHBondContact O-CG1 3.3Å; H3-I7 PolarHBondContact O-N 3.36Å; H3-I7 VanDerWaalsContact O-N 3.16Å; D5-I7 VanDerWaalsContact C-N 3.32Å; D5-I7 PolarHBondContact O-N 3.09Å; I7-I11 HydrophobicContact CG2-CD1 3.6Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CB 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.45Å; I7-I11 PolarHBondContact O-N 3.21Å; I7-A47 HydrophobicContact CG2-CB 4.3Å
8W92.1Very high84.9Confident26 Ų2687.8 Ų87.810%0.09843%0.432CS..Hα-helixtrans-66.8-42.1175.8176.7-100.9000113.1D4 D5 V6 I10 I11 G12 S40 R41 C44 A47D4-W8 WeakPolarHBondContact O-CB 3.39Å; D4-W8 PolarHBondContact O-N 3.19Å; D5-W8 PolarHBondContact O-N 3.24Å; V6-W8 VanDerWaalsContact C-N 3.29Å; V6-W8 PolarHBondContact O-N 3.07Å; W8-I10 PolarHBondContact O-N 3.09Å; W8-I11 PolarHBondContact O-N 3.09Å; W8-G12 VanDerWaalsContact O-CA 3.24Å; W8-G12 WeakPolarHBondContact O-CA 3.41Å; W8-G12 PolarHBondContact O-N 2.98Å; W8-S40 VanDerWaalsContact CH2-CA 3.41Å; W8-S40 VanDerWaalsContact CZ3-C 3.49Å; W8-S40 WeakPolarHBondContact CZ3-O 3.49Å; W8-R41 HydrophobicContact CD2-CB 3.94Å; W8-R41 HydrophobicContact CD2-CG 4.41Å; W8-R41 HydrophobicContact CG-CB 4.21Å; W8-R41 HydrophobicContact CG-CG 4.21Å; W8-R41 VanDerWaalsContact CH2-N 3.28Å; W8-R41 HydrophobicContact CZ2-CB 4.19Å; W8-C44 HydrophobicContact CE3-CB 4.02Å; W8-C44 HydrophobicContact CZ3-CB 3.65Å; W8-A47 HydrophobicContact CB-CB 4.04Å; W8-A47 HydrophobicContact CE3-CB 3.88Å
9D90.7Very high85.3Confident64 Ų6487.2 Ų87.234%0.34243%0.427SS..Iπ-helixtrans-62.5-36.2-179.7-75.7-16000111.7D5 V6 R14D5-D9 PolarHBondContact O-N 3.19Å; V6-D9 PolarHBondContact O-N 3.23Å; D9-R14 WeakPolarHBondContact O-CB 3.32Å; D9-R14 PolarHBondContact O-N 3.15Å
10I89.6Confident85.7Confident73 Ų7384.6 Ų84.637%0.37441%0.413SS..Iπ-helixtrans-66.5-58.8173.2-65.1168.1000110.3V6 W8 Q15V6-I10 HydrophobicContact CG1-CD1 4.05Å; V6-I10 VanDerWaalsContact O-CG1 3.29Å; V6-I10 WeakPolarHBondContact O-CG1 3.37Å; V6-I10 PolarHBondContact O-N 2.75Å; V6-I10 VanDerWaalsContact O-N 3.12Å; W8-I10 PolarHBondContact O-N 3.09Å; I10-Q15 HydrophobicContact CG2-CB 4.1Å; I10-Q15 HydrophobicContact CG2-CG 4.15Å; I10-Q15 VanDerWaalsContact CG2-OE1 3.3Å; I10-Q15 CarbonylContact O-C 3.49Å; I10-Q15 VanDerWaalsContact O-CA 3.29Å; I10-Q15 WeakPolarHBondContact O-CA 3.46Å; I10-Q15 VanDerWaalsContact O-CB 3.23Å; I10-Q15 WeakPolarHBondContact O-CB 3.47Å; I10-Q15 PolarHBondContact O-N 2.97Å
11I88.9Confident86Confident34 Ų3483 Ų8317%0.17441%0.406CS..Iπ-helixtrans-77.7-33.7-169.9-63.6178.5000112.8I7 W8 C17 L46I7-I11 HydrophobicContact CG2-CD1 3.6Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CB 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.45Å; I7-I11 PolarHBondContact O-N 3.21Å; W8-I11 PolarHBondContact O-N 3.09Å; I11-C17 HydrophobicContact CG2-CB 3.56Å; I11-C17 WeakPolarHBondContact CG2-SG 3.34Å; I11-C17 VanDerWaalsContact O-CB 3.28Å; I11-C17 WeakPolarHBondContact O-CB 3.49Å; I11-L46 HydrophobicContact CD1-CB 4.31Å
12G81.5Confident87.6Confident1 Ų181.6 Ų81.61%0.0139%0.389CS..Iπ-helixtrans-85-45.4-168.900000113.4W8 K20W8-G12 VanDerWaalsContact O-CA 3.24Å; W8-G12 WeakPolarHBondContact O-CA 3.41Å; W8-G12 PolarHBondContact O-N 2.98Å; G12-K20 PolarHBondContact O-NZ 3.37Å
13N77Confident88.7Confident109 Ų10980.4 Ų80.458%0.58339%0.388SS*.Iπ-helixtrans-122-49.7-166.7-72-14000113.8
14R78.3Confident89Confident206 Ų20686 Ų8678%0.77741%0.411SS*.Iπ-helixtrans-86.4-47.9-170-68-178.2175.8154.20.6113.3D9D9-R14 WeakPolarHBondContact O-CB 3.32Å; D9-R14 PolarHBondContact O-N 3.15Å
15Q85.3Confident88.9Confident126 Ų12688.4 Ų88.459%0.58944%0.443SS*.SBendtrans-109.6175.2-174.9-57.8-166.4-18.200112.5I10I10-Q15 HydrophobicContact CG2-CB 4.1Å; I10-Q15 HydrophobicContact CG2-CG 4.15Å; I10-Q15 VanDerWaalsContact CG2-OE1 3.3Å; I10-Q15 CarbonylContact O-C 3.49Å; I10-Q15 VanDerWaalsContact O-CA 3.29Å; I10-Q15 WeakPolarHBondContact O-CA 3.46Å; I10-Q15 VanDerWaalsContact O-CB 3.23Å; I10-Q15 WeakPolarHBondContact O-CB 3.47Å; I10-Q15 PolarHBondContact O-N 2.97Å
16F89.3Confident88.9Confident180 Ų18084.9 Ų84.979%0.78943%0.431SS*.  trans-75.1138.1-178.5177.2-102.4000111.9
17C91.9Very high89Confident10 Ų1084 Ų847%0.06842%0.423CS..  trans-119.5119.5170.5174.60000109I11 F19 K20I11-C17 HydrophobicContact CG2-CB 3.56Å; I11-C17 WeakPolarHBondContact CG2-SG 3.34Å; I11-C17 VanDerWaalsContact O-CB 3.28Å; I11-C17 WeakPolarHBondContact O-CB 3.49Å; C17-F19 PolarHBondContact O-N 3.11Å; C17-K20 HydrophobicContact CB-CB 3.78Å; C17-K20 WeakPolarHBondContact O-CB 3.43Å; C17-K20 PolarHBondContact O-N 2.89Å
18S91.2Very high89.2Confident80 Ų8086.2 Ų86.256%0.55943%0.431SS*.THydrogen-bonded Turntrans-57.7-31.8-179.256.40000113.5
19F92.7Very high89.3Confident77 Ų7785.7 Ų85.734%0.33843%0.431SS..THydrogen-bonded Turntrans-87.8-8.5-179-60.3-75000113.5C17 C29 R30 N31 L46C17-F19 PolarHBondContact O-N 3.11Å; F19-C29 CarbonylContact O-C 3.57Å; F19-C29 VanDerWaalsContact O-CA 3.28Å; F19-C29 WeakPolarHBondContact O-CA 3.45Å; F19-R30 HydrophobicContact CD1-CB 4.48Å; F19-R30 PolarHBondContact O-N 3.28Å; F19-N31 HydrophobicContact CB-CB 4.2Å; F19-N31 HydrophobicContact CD1-CB 4.01Å; F19-N31 HydrophobicContact CG-CB 3.99Å; F19-L46 HydrophobicContact CD2-CD1 3.79Å; F19-L46 HydrophobicContact CE2-CD1 3.95Å
20K92.8Very high89.4Confident34 Ų3491.3 Ų91.315%0.14845%0.448CS..EExtended strand (participates in β ladder)trans-83.8124.5-175.6-174.3178.2-176-179.40110.4G12 C17 F28 C39G12-K20 PolarHBondContact O-NZ 3.37Å; C17-K20 HydrophobicContact CB-CB 3.78Å; C17-K20 WeakPolarHBondContact O-CB 3.43Å; C17-K20 PolarHBondContact O-N 2.89Å; K20-F28 WeakPolarHBondContact CA-O 3.42Å; K20-C39 HydrophobicContact CG-CB 4.2Å
21I92.6Very high89.6Confident53 Ų5388.8 Ų88.827%0.27244%0.435SS..EExtended strand (participates in β ladder)trans-106.6124.8168.8-45.1174.6000108.1T23 N27 F28 R30I21-T23 HydrophobicContact CG2-CG2 4.12Å; I21-N27 WeakPolarHBondContact O-CA 3.32Å; I21-F28 HydrophobicContact CB-CB 4.45Å; I21-F28 PolarHBondContact N-O 3.39Å; I21-F28 PolarHBondContact O-N 3.44Å; I21-R30 HydrophobicContact CD1-CG 3.5Å; I21-R30 HydrophobicContact CG1-CG 3.72Å
22R91Very high89.8Confident181 Ų18192.5 Ų92.568%0.68345%0.452SS*.EExtended strand (participates in β ladder)trans-91.5124.8171.3-59.6-175.1-176.6-162.6-0.7108.5
23T92.8Very high90.4Very high68 Ų6894.5 Ų94.542%0.41746%0.46SS..EExtended strand (participates in β ladder)trans-126.9162.7172.758.80000109.6I21 G25 G26 F28I21-T23 HydrophobicContact CG2-CG2 4.12Å; T23-G25 PolarHBondContact O-N 3.3Å; T23-G25 VanDerWaalsContact O-N 3.14Å; T23-G26 PolarHBondContact N-O 3.22Å; T23-G26 PolarHBondContact O-N 3.01Å; T23-G26 VanDerWaalsContact O-N 3.08Å; T23-G26 PolarHBondContact OG1-O 3.06Å; T23-F28 HydrophobicContact CG2-CD2 4.28Å; T23-F28 WeakPolarHBondContact OG1-CD2 3.5Å; T23-F28 VanDerWaalsContact OG1-CE2 3.28Å; T23-F28 WeakPolarHBondContact OG1-CE2 3.33Å
24K91.6Very high91.3Very high229 Ų22989.4 Ų89.4100%0.99643%0.433SS*.THydrogen-bonded Turntrans-54.5-33.6178.8-62.8-174.8179.4-176.30112.9
25G87.4Confident92Very high79 Ų7980 Ų8081%0.81440%0.398SS*.THydrogen-bonded Turntrans-90.1-1.6-178.700000115.8T23T23-G25 PolarHBondContact O-N 3.3Å; T23-G25 VanDerWaalsContact O-N 3.14Å
26G89.4Confident92.3Very high29 Ų2976.3 Ų76.330%0.29938%0.384SS..EExtended strand (participates in β ladder)trans143.5-176.6179.200000114.6T23T23-G26 PolarHBondContact N-O 3.22Å; T23-G26 PolarHBondContact O-N 3.01Å; T23-G26 VanDerWaalsContact O-N 3.08Å; T23-G26 PolarHBondContact OG1-O 3.06Å
27N92.6Very high92.5Very high65 Ų6568.9 Ų68.935%0.34836%0.358SS..EExtended strand (participates in β ladder)trans-100.5122.6-177.5-63.2-34.5000111.1I21 C39I21-N27 WeakPolarHBondContact O-CA 3.32Å; N27-C39 HydrophobicContact CB-CB 4.03Å; N27-C39 PolarHBondContact O-N 3.04Å
28F94.2Very high92.5Very high86 Ų8672.2 Ų72.238%0.37738%0.375SS..EExtended strand (participates in β ladder)trans-109.3163178-66.6-83.3000111.5K20 I21 T23 G37 L38K20-F28 WeakPolarHBondContact CA-O 3.42Å; I21-F28 HydrophobicContact CB-CB 4.45Å; I21-F28 PolarHBondContact N-O 3.39Å; I21-F28 PolarHBondContact O-N 3.44Å; T23-F28 HydrophobicContact CG2-CD2 4.28Å; T23-F28 WeakPolarHBondContact OG1-CD2 3.5Å; T23-F28 VanDerWaalsContact OG1-CE2 3.28Å; T23-F28 WeakPolarHBondContact OG1-CE2 3.33Å; F28-G37 CarbonylContact C-O 3.53Å; F28-G37 VanDerWaalsContact CA-O 3.3Å; F28-G37 WeakPolarHBondContact CA-O 3.26Å; F28-G37 WeakPolarHBondContact CD1-O 3.4Å; F28-L38 HydrophobicContact CD1-CD2 3.83Å; F28-L38 HydrophobicContact CE1-CD2 3.57Å; F28-L38 HydrophobicContact CZ-CD2 4.3Å
29C94.3Very high92.6Very high15 Ų1568.9 Ų68.910%0.10135%0.352CS..EExtended strand (participates in β ladder)trans-126.3128.8179.4-1690000110.4F19 N31 N34 G37 C39F19-C29 CarbonylContact O-C 3.57Å; F19-C29 VanDerWaalsContact O-CA 3.28Å; F19-C29 WeakPolarHBondContact O-CA 3.45Å; C29-N31 VanDerWaalsContact C-N 3.35Å; C29-N34 HydrophobicContact CB-CB 4.48Å; C29-N34 WeakPolarHBondContact CB-ND2 3.19Å; C29-G37 PolarHBondContact N-O 3.46Å; C29-C39 HydrophobicContact CB-CB 4.19Å
30R93.6Very high92.5Very high183 Ų18367.4 Ų67.469%0.69135%0.351SS*.  trans-82.2-8.3176.4-69.9-176171.4166.12.4114.1F19 I21 E32F19-R30 HydrophobicContact CD1-CB 4.48Å; F19-R30 PolarHBondContact O-N 3.28Å; I21-R30 HydrophobicContact CD1-CG 3.5Å; I21-R30 HydrophobicContact CG1-CG 3.72Å; R30-E32 PolarHBondContact O-N 2.9Å
31N94.3Very high92.4Very high20 Ų2069.1 Ų69.111%0.10736%0.356CS..  trans-63.5128.2-176.5-169.6-26.6000110.4F19 C29 F33 N34 P45F19-N31 HydrophobicContact CB-CB 4.2Å; F19-N31 HydrophobicContact CD1-CB 4.01Å; F19-N31 HydrophobicContact CG-CB 3.99Å; C29-N31 VanDerWaalsContact C-N 3.35Å; N31-F33 PolarHBondContact O-N 3.48Å; N31-F33 PolarHBondContact OD1-N 3.3Å; N31-N34 VanDerWaalsContact O-CB 3.31Å; N31-N34 WeakPolarHBondContact O-CB 3.35Å; N31-N34 PolarHBondContact O-N 3.35Å; N31-P45 HydrophobicContact CB-CG 4.28Å; N31-P45 WeakPolarHBondContact ND2-CG 3.4Å
32E92.9Very high92.3Very high111 Ų11168.8 Ų68.852%0.51936%0.361SS..THydrogen-bonded Turntrans-58.2-34.1-179.8-54.6-172.3140.400112.4R30 N34 R55 R112R30-E32 PolarHBondContact O-N 2.9Å; E32-N34 PolarHBondContact O-N 2.88Å; E32-R55 IonicContact OE1-NH2 3.17Å; E32-R55 PolarHBondContact OE1-NH2 2.95Å; E32-R55 IonicContact OE2-CZ 3.11Å; E32-R55 IonicContact OE2-NH1 2.73Å; E32-R55 PolarHBondContact OE2-NH1 2.83Å; E32-R55 IonicContact OE2-NH2 2.81Å; E32-R55 PolarHBondContact OE2-NH2 2.85Å; E32-R112 PolarHBondContact O-NH2 2.97Å
33F94.2Very high92.4Very high44 Ų4460.1 Ų60.119%0.19333%0.329CS..THydrogen-bonded Turntrans-85.316.4179.1-58.3-76.4000112.9N31 P45 Y51 T53 Y64 W78N31-F33 PolarHBondContact O-N 3.48Å; N31-F33 PolarHBondContact OD1-N 3.3Å; F33-P45 HydrophobicContact CB-CB 4.11Å; F33-P45 HydrophobicContact CB-CG 4.2Å; F33-P45 VanDerWaalsContact O-CB 3.32Å; F33-P45 WeakPolarHBondContact O-CB 3.24Å; F33-P45 WeakPolarHBondContact O-CG 3.35Å; F33-Y51 WeakPolarHBondContact O-CE1 3.49Å; F33-T53 HydrophobicContact CB-CG2 4.48Å; F33-T53 WeakPolarHBondContact O-CG2 3.34Å; F33-Y64 AromaticContact CE1-CD1 3.98Å; F33-Y64 HydrophobicContact CE1-CD1 3.98Å; F33-Y64 HydrophobicContact CE1-CE1 4.26Å; F33-Y64 HydrophobicContact CE1-CG 4.42Å; F33-W78 HydrophobicContact CB-CH2 3.81Å; F33-W78 HydrophobicContact CB-CZ2 3.64Å; F33-W78 HydrophobicContact CD1-CD2 4.23Å; F33-W78 AromaticContact CD1-CE2 3.91Å; F33-W78 HydrophobicContact CD1-CE3 4.49Å; F33-W78 HydrophobicContact CD1-CH2 4.1Å; F33-W78 AromaticContact CD1-CZ2 3.85Å; F33-W78 HydrophobicContact CD1-CZ2 3.85Å; F33-W78 HydrophobicContact CD1-CZ3 4.42Å; F33-W78 HydrophobicContact CD2-CZ2 4.28Å; F33-W78 HydrophobicContact CE1-CD2 4.32Å; F33-W78 HydrophobicContact CG-CH2 4.14Å; F33-W78 AromaticContact CG-CZ2 3.67Å; F33-W78 HydrophobicContact CG-CZ2 3.67Å
34N95Very high92.4Very high2 Ų257 Ų571%0.01131%0.31CS..  trans-86.9132172-171-47.8000110.5C29 N31 E32 T36 G37 L38 A43 R112C29-N34 HydrophobicContact CB-CB 4.48Å; C29-N34 WeakPolarHBondContact CB-ND2 3.19Å; N31-N34 VanDerWaalsContact O-CB 3.31Å; N31-N34 WeakPolarHBondContact O-CB 3.35Å; N31-N34 PolarHBondContact O-N 3.35Å; E32-N34 PolarHBondContact O-N 2.88Å; N34-T36 PolarHBondContact OD1-N 2.84Å; N34-T36 PolarHBondContact OD1-OG1 3.28Å; N34-G37 PolarHBondContact OD1-N 3.07Å; N34-L38 PolarHBondContact ND2-O 2.95Å; N34-A43 PolarHBondContact ND2-O 3.21Å; N34-R112 VanDerWaalsContact O-CZ 3.25Å; N34-R112 PolarHBondContact O-NH1 2.96Å; N34-R112 PolarHBondContact O-NH2 3.32Å
35L93.1Very high92.4Very high8 Ų846.2 Ų46.24%0.04226%0.263CS..SBendtrans-66.3-44.7178.4-77.7172000114.5Y51 A52 T53 I105 K108 R112L35-Y51 WeakPolarHBondContact CB-OH 3.3Å; L35-Y51 HydrophobicContact CD1-CE1 4.09Å; L35-Y51 HydrophobicContact CD1-CE2 4.21Å; L35-Y51 WeakPolarHBondContact CD1-OH 3.28Å; L35-Y51 HydrophobicContact CG-CE1 3.89Å; L35-Y51 VanDerWaalsContact CG-OH 3.31Å; L35-Y51 WeakPolarHBondContact CG-OH 3.42Å; L35-Y51 PolarHBondContact N-OH 3.29Å; L35-A52 VanDerWaalsContact CD1-O 3.32Å; L35-A52 WeakPolarHBondContact CD1-O 3.28Å; L35-A52 VanDerWaalsContact CD2-O 3.26Å; L35-A52 WeakPolarHBondContact CD2-O 3.45Å; L35-A52 VanDerWaalsContact CG-O 3.32Å; L35-A52 WeakPolarHBondContact CG-O 3.37Å; L35-T53 HydrophobicContact CD2-CG2 3.88Å; L35-T53 HydrophobicContact CG-CG2 3.85Å; L35-I105 HydrophobicContact CD1-CB 4.39Å; L35-I105 HydrophobicContact CD1-CG1 4.29Å; L35-I105 HydrophobicContact CD1-CG2 4.1Å; L35-K108 HydrophobicContact CB-CB 4.42Å; L35-K108 HydrophobicContact CD1-CB 4.13Å; L35-R112 PolarHBondContact O-NH1 3.37Å
36T92.1Very high92.6Very high49 Ų4945.9 Ų45.930%0.30124%0.242SC..SBendtrans-107.2-21.3-167.362.20000112.9N34 L38 A43 F104 K108N34-T36 PolarHBondContact OD1-N 2.84Å; N34-T36 PolarHBondContact OD1-OG1 3.28Å; T36-L38 PolarHBondContact OG1-N 3.29Å; T36-A43 WeakPolarHBondContact OG1-CB 3.13Å; T36-F104 HydrophobicContact CG2-CZ 4.29Å; T36-K108 HydrophobicContact CG2-CD 4.05Å; T36-K108 HydrophobicContact CG2-CG 4.15Å
37G92.4Very high92.7Very high23 Ų2344.5 Ų44.524%0.23723%0.228CC..SBendtrans80.9-2.3-170.100000113.6F28 C29 N34F28-G37 CarbonylContact C-O 3.53Å; F28-G37 VanDerWaalsContact CA-O 3.3Å; F28-G37 WeakPolarHBondContact CA-O 3.26Å; F28-G37 WeakPolarHBondContact CD1-O 3.4Å; C29-G37 PolarHBondContact N-O 3.46Å; N34-G37 PolarHBondContact OD1-N 3.07Å
38L92.7Very high92.7Very high80 Ų8042.4 Ų42.442%0.41922%0.217SC..BIsolated β-bridgetrans-89.3145.7175.2-61.4174.2000110.5F28 N34 T36 S40 A43F28-L38 HydrophobicContact CD1-CD2 3.83Å; F28-L38 HydrophobicContact CE1-CD2 3.57Å; F28-L38 HydrophobicContact CZ-CD2 4.3Å; N34-L38 PolarHBondContact ND2-O 2.95Å; T36-L38 PolarHBondContact OG1-N 3.29Å; L38-S40 PolarHBondContact O-N 3.46Å; L38-A43 VanDerWaalsContact O-CB 3.31Å; L38-A43 WeakPolarHBondContact O-CB 3.19Å
39C93.3Very high92.5Very high11 Ų1138.7 Ų38.77%0.07420%0.201CC..  trans-93.587.5171.9-169.50000109.3K20 N27 C29K20-C39 HydrophobicContact CG-CB 4.2Å; N27-C39 HydrophobicContact CB-CB 4.03Å; N27-C39 PolarHBondContact O-N 3.04Å; C29-C39 HydrophobicContact CB-CB 4.19Å
40S91.3Very high92.4Very high45 Ų4541.6 Ų41.632%0.31521%0.213SC..SBendtrans-134162175.369.90000111.3W8 L38 A42 A43 C44W8-S40 VanDerWaalsContact CH2-CA 3.41Å; W8-S40 VanDerWaalsContact CZ3-C 3.49Å; W8-S40 WeakPolarHBondContact CZ3-O 3.49Å; L38-S40 PolarHBondContact O-N 3.46Å; S40-A42 PolarHBondContact O-N 3.02Å; S40-A43 PolarHBondContact O-N 3.02Å; S40-A43 VanDerWaalsContact OG-CB 3.27Å; S40-A43 WeakPolarHBondContact OG-CB 3.35Å; S40-A43 PolarHBondContact OG-N 3.49Å; S40-C44 PolarHBondContact O-N 3.44Å
41R90.8Very high92.4Very high70 Ų7032.9 Ų32.926%0.26418%0.18SC..THydrogen-bonded Turntrans-50.6-43.8-178.4177.271.4-175.579.5-0.2112.4D4 D5 W8 N48D4-R41 VanDerWaalsContact CB-NH2 3.32Å; D5-R41 IonicContact OD1-CZ 2.94Å; D5-R41 VanDerWaalsContact OD1-CZ 3.27Å; D5-R41 IonicContact OD1-NE 2.61Å; D5-R41 PolarHBondContact OD1-NE 3.11Å; D5-R41 IonicContact OD1-NH2 2.87Å; D5-R41 PolarHBondContact OD1-NH2 3.35Å; W8-R41 HydrophobicContact CD2-CB 3.94Å; W8-R41 HydrophobicContact CD2-CG 4.41Å; W8-R41 HydrophobicContact CG-CB 4.21Å; W8-R41 HydrophobicContact CG-CG 4.21Å; W8-R41 VanDerWaalsContact CH2-N 3.28Å; W8-R41 HydrophobicContact CZ2-CB 4.19Å; R41-N48 PolarHBondContact NH1-OD1 2.88Å; R41-N48 PolarHBondContact O-ND2 3.45Å
42A90.4Very high92.6Very high46 Ų4631.9 Ų31.938%0.3818%0.175SC..THydrogen-bonded Turntrans-79.5-22.8-179.400000113.7S40 F104S40-A42 PolarHBondContact O-N 3.02Å; A42-F104 HydrophobicContact CB-CD1 4.1Å; A42-F104 HydrophobicContact CB-CE1 3.8Å; A42-F104 HydrophobicContact CB-CZ 4.2Å; A42-F104 WeakPolarHBondContact O-CE1 3.32Å
43A91.7Very high92.7Very high0 Ų026.7 Ų26.70%015%0.151CC..THydrogen-bonded Turntrans-95.8-17.8-175.600000113.6N34 T36 L38 S40 P45 Y51N34-A43 PolarHBondContact ND2-O 3.21Å; T36-A43 WeakPolarHBondContact OG1-CB 3.13Å; L38-A43 VanDerWaalsContact O-CB 3.31Å; L38-A43 WeakPolarHBondContact O-CB 3.19Å; S40-A43 PolarHBondContact O-N 3.02Å; S40-A43 VanDerWaalsContact OG-CB 3.27Å; S40-A43 WeakPolarHBondContact OG-CB 3.35Å; S40-A43 PolarHBondContact OG-N 3.49Å; A43-P45 WeakPolarHBondContact O-CD 3.35Å; A43-Y51 PolarHBondContact O-OH 3.1Å
44C92.6Very high92.9Very high3 Ų324.6 Ų24.62%0.0214%0.142CC..  trans-75.9121.9-175.5-168.70000111.9W8 S40 L46 A47 N48W8-C44 HydrophobicContact CE3-CB 4.02Å; W8-C44 HydrophobicContact CZ3-CB 3.65Å; S40-C44 PolarHBondContact O-N 3.44Å; C44-L46 VanDerWaalsContact C-N 3.33Å; C44-A47 HydrophobicContact CB-CB 4.02Å; C44-N48 PolarHBondContact O-N 3.45Å; C44-N48 PolarHBondContact O-ND2 3.38Å
45P93.2Very high92.9Very high2 Ų227.9 Ų27.91%0.01315%0.154CC..THydrogen-bonded Turntrans-76.5-19.217830.9-36.8000113.6N31 F33 A43 Y51 K66 W78N31-P45 HydrophobicContact CB-CG 4.28Å; N31-P45 WeakPolarHBondContact ND2-CG 3.4Å; F33-P45 HydrophobicContact CB-CB 4.11Å; F33-P45 HydrophobicContact CB-CG 4.2Å; F33-P45 VanDerWaalsContact O-CB 3.32Å; F33-P45 WeakPolarHBondContact O-CB 3.24Å; F33-P45 WeakPolarHBondContact O-CG 3.35Å; A43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-Y51 HydrophobicContact CB-CD1 3.88Å; P45-Y51 HydrophobicContact CB-CE1 3.88Å; P45-K66 PolarHBondContact O-NZ 3.03Å; P45-W78 HydrophobicContact CB-CH2 4.34Å; P45-W78 HydrophobicContact CB-CZ2 4.38Å
46L90.3Very high93Very high72 Ų7230 Ų3038%0.37716%0.164SC..THydrogen-bonded Turntrans-79.3-42.1177.8-64.2177.6000111.3I11 F19 C44I11-L46 HydrophobicContact CD1-CB 4.31Å; F19-L46 HydrophobicContact CD2-CD1 3.79Å; F19-L46 HydrophobicContact CE2-CD1 3.95Å; C44-L46 VanDerWaalsContact C-N 3.33Å
47A91.6Very high93.1Very high0 Ų031 Ų310%017%0.165CC..THydrogen-bonded Turntrans-75.3-26.1-178.600000113.3D4 I7 W8 C44D4-A47 WeakPolarHBondContact CA-O 3.44Å; D4-A47 WeakPolarHBondContact CB-O 3.49Å; I7-A47 HydrophobicContact CG2-CB 4.3Å; W8-A47 HydrophobicContact CB-CB 4.04Å; W8-A47 HydrophobicContact CE3-CB 3.88Å; C44-A47 HydrophobicContact CB-CB 4.02Å
48N92Very high93.1Very high20 Ų2039.9 Ų39.911%0.10720%0.197CC..  trans-97.1124.5179.1-66-57000110.9R41 C44 Y51 K66R41-N48 PolarHBondContact NH1-OD1 2.88Å; R41-N48 PolarHBondContact O-ND2 3.45Å; C44-N48 PolarHBondContact O-N 3.45Å; C44-N48 PolarHBondContact O-ND2 3.38Å; N48-Y51 HydrophobicContact CB-CD2 3.86Å; N48-K66 WeakPolarHBondContact O-CE 3.33Å; N48-K66 PolarHBondContact O-NZ 2.85Å
49S90.6Very high92.9Very high8 Ų837.7 Ų37.76%0.05619%0.193CC..SBendtrans-73.1-44.3174.955.90000111.8D4 K66 I68D4-S49 VanDerWaalsContact OD1-CB 3.31Å; D4-S49 WeakPolarHBondContact OD1-CB 3.25Å; D4-S49 PolarHBondContact OD1-N 3.33Å; D4-S49 PolarHBondContact OD1-OG 3.45Å; D4-S49 PolarHBondContact OD2-N 2.92Å; D4-S49 PolarHBondContact OD2-OG 2.98Å; S49-K66 WeakPolarHBondContact O-CD 3.32Å; S49-K66 WeakPolarHBondContact O-CE 3.5Å; S49-K66 VanDerWaalsContact O-CG 3.28Å; S49-K66 WeakPolarHBondContact O-CG 3.43Å; S49-I68 WeakPolarHBondContact OG-CD1 3.36Å
50Q91.8Very high93Very high76 Ų7640.3 Ų40.336%0.35521%0.205SC..SBendtrans-93.6112171.4-169.3-177.81100109.9K66 Y100 W101Q50-K66 WeakPolarHBondContact CA-O 3.48Å; Q50-Y100 PolarHBondContact NE2-O 3.24Å; Q50-Y100 VanDerWaalsContact NE2-O 3.09Å; Q50-W101 HydrophobicContact CG-CD2 4.48Å; Q50-W101 HydrophobicContact CG-CG 4.36Å
51Y95.2Very high93.2Very high0 Ų038.8 Ų38.80%019%0.194CC..EExtended strand (participates in β ladder)trans-147.4162.5-176.6-154-107.5000111.5F33 L35 A43 P45 N48 T53 K66 W78 W101 I105F33-Y51 WeakPolarHBondContact O-CE1 3.49Å; L35-Y51 WeakPolarHBondContact CB-OH 3.3Å; L35-Y51 HydrophobicContact CD1-CE1 4.09Å; L35-Y51 HydrophobicContact CD1-CE2 4.21Å; L35-Y51 WeakPolarHBondContact CD1-OH 3.28Å; L35-Y51 HydrophobicContact CG-CE1 3.89Å; L35-Y51 VanDerWaalsContact CG-OH 3.31Å; L35-Y51 WeakPolarHBondContact CG-OH 3.42Å; L35-Y51 PolarHBondContact N-OH 3.29Å; A43-Y51 PolarHBondContact O-OH 3.1Å; P45-Y51 HydrophobicContact CB-CD1 3.88Å; P45-Y51 HydrophobicContact CB-CE1 3.88Å; N48-Y51 HydrophobicContact CB-CD2 3.86Å; Y51-T53 HydrophobicContact CD1-CG2 3.85Å; Y51-T53 HydrophobicContact CE1-CG2 3.44Å; Y51-T53 VanDerWaalsContact CE1-CG2 3.44Å; Y51-K66 PolarHBondContact N-O 3.11Å; Y51-K66 VanDerWaalsContact N-O 3.07Å; Y51-K66 PolarHBondContact O-N 3.13Å; Y51-W78 HydrophobicContact CD1-CH2 4.03Å; Y51-W101 PolarHBondContact O-NE1 2.84Å; Y51-I105 HydrophobicContact CD2-CD1 3.66Å; Y51-I105 HydrophobicContact CD2-CG1 4.45Å; Y51-I105 HydrophobicContact CE2-CD1 4.06Å; Y51-I105 HydrophobicContact CE2-CG1 4.39Å; Y51-I105 HydrophobicContact CG-CD1 4.41Å
52A96.8Very high93.5Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-148.5145.4171.100000110.4L35 L63 Y64 M65 L98 I105L35-A52 VanDerWaalsContact CD1-O 3.32Å; L35-A52 WeakPolarHBondContact CD1-O 3.28Å; L35-A52 VanDerWaalsContact CD2-O 3.26Å; L35-A52 WeakPolarHBondContact CD2-O 3.45Å; L35-A52 VanDerWaalsContact CG-O 3.32Å; L35-A52 WeakPolarHBondContact CG-O 3.37Å; A52-L63 HydrophobicContact CB-CD1 4.46Å; A52-Y64 CarbonylContact C-O 3.42Å; A52-Y64 WeakPolarHBondContact CA-O 3.44Å; A52-M65 HydrophobicContact CB-CG 4.43Å; A52-L98 HydrophobicContact CB-CD1 4.23Å; A52-L98 HydrophobicContact CB-CD2 3.52Å; A52-I105 HydrophobicContact CB-CG2 3.75Å
53T96.3Very high93.8Very high1 Ų134.4 Ų34.41%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-140.1161.6175.458.70000112.7F33 L35 Y51 Y64F33-T53 HydrophobicContact CB-CG2 4.48Å; F33-T53 WeakPolarHBondContact O-CG2 3.34Å; L35-T53 HydrophobicContact CD2-CG2 3.88Å; L35-T53 HydrophobicContact CG-CG2 3.85Å; Y51-T53 HydrophobicContact CD1-CG2 3.85Å; Y51-T53 HydrophobicContact CE1-CG2 3.44Å; Y51-T53 VanDerWaalsContact CE1-CG2 3.44Å; T53-Y64 PolarHBondContact N-O 3.34Å; T53-Y64 PolarHBondContact O-N 3.36Å
54I97Very high94Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-114.9130.5172.1-57.9-179.8000108.1F62 L63 L83 I94 C109 R112 F113 I116I54-F62 WeakPolarHBondContact CA-O 3.48Å; I54-L63 HydrophobicContact CG1-CD1 3.89Å; I54-L83 HydrophobicContact CD1-CD1 4.3Å; I54-L83 HydrophobicContact CG2-CD1 4.22Å; I54-I94 HydrophobicContact CD1-CD1 3.58Å; I54-I94 HydrophobicContact CD1-CG1 4.29Å; I54-C109 HydrophobicContact CD1-CB 3.96Å; I54-C109 WeakPolarHBondContact CD1-O 3.47Å; I54-C109 HydrophobicContact CG1-CB 4.26Å; I54-R112 WeakPolarHBondContact O-CD 3.49Å; I54-R112 PolarHBondContact O-NE 2.62Å; I54-F113 HydrophobicContact CD1-CB 3.55Å; I54-F113 HydrophobicContact CD1-CD2 4.43Å; I54-F113 HydrophobicContact CD1-CG 4.32Å; I54-F113 HydrophobicContact CG2-CD2 4.27Å; I54-I116 HydrophobicContact CB-CD1 4.13Å; I54-I116 HydrophobicContact CG2-CD1 3.63Å
55R95.5Very high94.2Very high71 Ų7135.6 Ų35.627%0.26817%0.173SC..EExtended strand (participates in β ladder)trans-132.7143.8178.9-170.1-175.9178160.49109.1E32 F62 Y64E32-R55 IonicContact OE1-NH2 3.17Å; E32-R55 PolarHBondContact OE1-NH2 2.95Å; E32-R55 IonicContact OE2-CZ 3.11Å; E32-R55 IonicContact OE2-NH1 2.73Å; E32-R55 PolarHBondContact OE2-NH1 2.83Å; E32-R55 IonicContact OE2-NH2 2.81Å; E32-R55 PolarHBondContact OE2-NH2 2.85Å; R55-F62 PolarHBondContact N-O 2.91Å; R55-F62 PolarHBondContact O-N 3.38Å; R55-Y64 HydrophobicContact CB-CD2 3.93Å; R55-Y64 HydrophobicContact CB-CE2 3.68Å
56E94.9Very high94.2Very high52 Ų5236 Ų3624%0.24317%0.174CC..EExtended strand (participates in β ladder)trans-92.7134.3170.4-175.4-133.6153.700109.5G59 Q60 I116 Y119 L120E56-G59 WeakPolarHBondContact OE1-CA 3.5Å; E56-G59 PolarHBondContact OE1-N 3.3Å; E56-Q60 WeakPolarHBondContact CA-O 3.31Å; E56-I116 HydrophobicContact CB-CG2 4.17Å; E56-Y119 WeakPolarHBondContact CB-OH 3.21Å; E56-Y119 VanDerWaalsContact CD-OH 3.31Å; E56-Y119 WeakPolarHBondContact CG-OH 3.28Å; E56-Y119 WeakPolarHBondContact OE2-CE2 3.47Å; E56-Y119 PolarHBondContact OE2-OH 2.87Å; E56-L120 HydrophobicContact CG-CD1 4.46Å; E56-L120 HydrophobicContact CG-CD2 4.2Å
57E94.9Very high94.3Very high70 Ų7034.1 Ų34.133%0.32717%0.166SC..EExtended strand (participates in β ladder)trans-128.7125.7164.8-62.7-177.6179.100109.1G59 Q60 F62 Y64 K80E57-G59 PolarHBondContact O-N 2.91Å; E57-G59 VanDerWaalsContact O-N 3.16Å; E57-Q60 PolarHBondContact N-O 2.92Å; E57-Q60 PolarHBondContact O-N 3.19Å; E57-F62 HydrophobicContact CB-CD2 4.12Å; E57-F62 HydrophobicContact CB-CE2 3.91Å; E57-F62 HydrophobicContact CG-CD2 4.28Å; E57-F62 HydrophobicContact CG-CE2 4.46Å; E57-Y64 PolarHBondContact OE1-OH 3.3Å; E57-K80 IonicContact OE1-NZ 2.89Å; E57-K80 PolarHBondContact OE1-NZ 2.81Å; E57-K80 IonicContact OE2-NZ 2.56Å; E57-K80 PolarHBondContact OE2-NZ 3.49Å
58K91.6Very high94.2Very high211 Ų21138.6 Ų38.692%0.91719%0.189SC*.THydrogen-bonded Turntrans49.241.8177-57.2-177179.1-178.30113.3Q60K58-Q60 VanDerWaalsContact C-N 3.3Å; K58-Q60 PolarHBondContact O-N 3.07Å
59G90.1Very high94.1Very high33 Ų3345.4 Ų45.434%0.3422%0.22SC..THydrogen-bonded Turntrans77.45.1-179.700000115.8E56 E57E56-G59 WeakPolarHBondContact OE1-CA 3.5Å; E56-G59 PolarHBondContact OE1-N 3.3Å; E57-G59 PolarHBondContact O-N 2.91Å; E57-G59 VanDerWaalsContact O-N 3.16Å
60Q94Very high94Very high66 Ų6649.8 Ų49.831%0.30824%0.235SC..EExtended strand (participates in β ladder)trans-111.7135.7175.6-61.5-17711.800110.4E56 E57 K58 F62E56-Q60 WeakPolarHBondContact CA-O 3.31Å; E57-Q60 PolarHBondContact N-O 2.92Å; E57-Q60 PolarHBondContact O-N 3.19Å; K58-Q60 VanDerWaalsContact C-N 3.3Å; K58-Q60 PolarHBondContact O-N 3.07Å; Q60-F62 HydrophobicContact CB-CE2 3.78Å; Q60-F62 HydrophobicContact CB-CZ 4.13Å; Q60-F62 WeakPolarHBondContact O-CD2 3.48Å
61C95.8Very high93.8Very high13 Ų1347 Ų479%0.08823%0.226CC..EExtended strand (participates in β ladder)trans-88.3135.5178.6-59.20000110.5L83 F113 I116C61-L83 HydrophobicContact CB-CB 4.28Å; C61-L83 HydrophobicContact CB-CD1 4.19Å; C61-L83 WeakPolarHBondContact O-CB 3.5Å; C61-L83 PolarHBondContact O-N 3.12Å; C61-F113 HydrophobicContact CB-CD2 4.25Å; C61-F113 HydrophobicContact CB-CE2 3.86Å; C61-I116 WeakPolarHBondContact SG-CG2 3.44Å
62F97.3Very high93.4Very high25 Ų2550.8 Ų50.811%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-126.5138.2175.8-64.2-87.1000110.2I54 R55 E57 Q60 Y64 K80 V81 K82I54-F62 WeakPolarHBondContact CA-O 3.48Å; R55-F62 PolarHBondContact N-O 2.91Å; R55-F62 PolarHBondContact O-N 3.38Å; E57-F62 HydrophobicContact CB-CD2 4.12Å; E57-F62 HydrophobicContact CB-CE2 3.91Å; E57-F62 HydrophobicContact CG-CD2 4.28Å; E57-F62 HydrophobicContact CG-CE2 4.46Å; Q60-F62 HydrophobicContact CB-CE2 3.78Å; Q60-F62 HydrophobicContact CB-CZ 4.13Å; Q60-F62 WeakPolarHBondContact O-CD2 3.48Å; F62-Y64 HydrophobicContact CB-CD2 4.24Å; F62-Y64 HydrophobicContact CB-CE2 3.66Å; F62-K80 HydrophobicContact CB-CD 4.47Å; F62-K80 HydrophobicContact CB-CG 3.94Å; F62-K80 HydrophobicContact CD1-CD 4.05Å; F62-K80 HydrophobicContact CD1-CG 3.79Å; F62-K80 VanDerWaalsContact CE1-CE 3.49Å; F62-K80 HydrophobicContact CG-CD 4.27Å; F62-K80 HydrophobicContact CG-CG 4.09Å; F62-V81 CarbonylContact C-O 3.56Å; F62-V81 VanDerWaalsContact CA-O 3.27Å; F62-V81 WeakPolarHBondContact CA-O 3.5Å; F62-K82 HydrophobicContact CD1-CB 3.89Å; F62-K82 HydrophobicContact CD1-CG 4.27Å; F62-K82 HydrophobicContact CE1-CB 3.68Å; F62-K82 HydrophobicContact CE1-CD 4.21Å; F62-K82 HydrophobicContact CE1-CG 3.81Å; F62-K82 HydrophobicContact CZ-CG 4.42Å
63L97Very high93.1Very high0 Ų057.2 Ų57.20%029%0.285CS..EExtended strand (participates in β ladder)trans-89.4118.9168.3178.866.8000108.3A52 I54 M65 K80 V81 L83 N97 L98A52-L63 HydrophobicContact CB-CD1 4.46Å; I54-L63 HydrophobicContact CG1-CD1 3.89Å; L63-M65 HydrophobicContact CD2-CG 4.2Å; L63-M65 HydrophobicContact CD2-SD 4.03Å; L63-M65 HydrophobicContact CG-CG 4.02Å; L63-M65 HydrophobicContact CG-SD 4.49Å; L63-K80 WeakPolarHBondContact O-CA 3.36Å; L63-V81 HydrophobicContact CB-CB 4.41Å; L63-V81 PolarHBondContact N-O 3.04Å; L63-V81 PolarHBondContact O-N 3.34Å; L63-L83 HydrophobicContact CB-CD1 4.34Å; L63-L83 HydrophobicContact CB-CD2 4.15Å; L63-L83 HydrophobicContact CB-CG 4.22Å; L63-N97 HydrophobicContact CD2-CB 3.8Å; L63-L98 HydrophobicContact CD1-CD1 4.27Å; L63-L98 HydrophobicContact CD2-CG 4.36Å
64Y96.6Very high92.7Very high18 Ų1861.8 Ų61.87%0.07132%0.315CS..EExtended strand (participates in β ladder)trans-97.5126.3173.3-74.4-100.2000108.9F33 A52 T53 R55 E57 F62 W78 E79 K80F33-Y64 AromaticContact CE1-CD1 3.98Å; F33-Y64 HydrophobicContact CE1-CD1 3.98Å; F33-Y64 HydrophobicContact CE1-CE1 4.26Å; F33-Y64 HydrophobicContact CE1-CG 4.42Å; A52-Y64 CarbonylContact C-O 3.42Å; A52-Y64 WeakPolarHBondContact CA-O 3.44Å; T53-Y64 PolarHBondContact N-O 3.34Å; T53-Y64 PolarHBondContact O-N 3.36Å; R55-Y64 HydrophobicContact CB-CD2 3.93Å; R55-Y64 HydrophobicContact CB-CE2 3.68Å; E57-Y64 PolarHBondContact OE1-OH 3.3Å; F62-Y64 HydrophobicContact CB-CD2 4.24Å; F62-Y64 HydrophobicContact CB-CE2 3.66Å; Y64-W78 HydrophobicContact CD1-CB 4.09Å; Y64-E79 CarbonylContact C-O 3.59Å; Y64-E79 WeakPolarHBondContact CA-O 3.36Å; Y64-K80 HydrophobicContact CD1-CB 4.49Å; Y64-K80 HydrophobicContact CE1-CB 4.24Å; Y64-K80 HydrophobicContact CE1-CD 4.07Å; Y64-K80 HydrophobicContact CE1-CG 4.11Å; Y64-K80 HydrophobicContact CE2-CD 4.47Å; Y64-K80 HydrophobicContact CE2-CG 4.25Å; Y64-K80 WeakPolarHBondContact OH-CD 3.49Å; Y64-K80 WeakPolarHBondContact OH-CE 3.38Å; Y64-K80 PolarHBondContact OH-NZ 2.97Å
65M95.3Very high92.5Very high10 Ų1066.9 Ų66.95%0.04936%0.357CS..EExtended strand (participates in β ladder)trans-119.8137.4178.2-59.7-178.1-64.100109.5A52 L63 W78 E79 V81 N97 L98 W101A52-M65 HydrophobicContact CB-CG 4.43Å; L63-M65 HydrophobicContact CD2-CG 4.2Å; L63-M65 HydrophobicContact CD2-SD 4.03Å; L63-M65 HydrophobicContact CG-CG 4.02Å; L63-M65 HydrophobicContact CG-SD 4.49Å; M65-W78 CarbonylContact O-C 3.52Å; M65-W78 WeakPolarHBondContact O-CA 3.19Å; M65-E79 HydrophobicContact CB-CB 4.36Å; M65-E79 HydrophobicContact CE-CB 4.44Å; M65-E79 PolarHBondContact N-O 3.43Å; M65-E79 PolarHBondContact O-N 3.41Å; M65-V81 HydrophobicContact CE-CG2 3.71Å; M65-N97 HydrophobicContact SD-CB 3.89Å; M65-L98 HydrophobicContact CG-CD2 4.25Å; M65-L98 HydrophobicContact SD-CD2 4.16Å; M65-W101 HydrophobicContact CB-CZ2 4.4Å; M65-W101 HydrophobicContact SD-CH2 4.48Å
66K93.4Very high92.3Very high9 Ų972.8 Ų72.84%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-118126.7177.6-171.7-172.8170.1-174.50108P45 N48 S49 Q50 Y51 M77 W78P45-K66 PolarHBondContact O-NZ 3.03Å; N48-K66 WeakPolarHBondContact O-CE 3.33Å; N48-K66 PolarHBondContact O-NZ 2.85Å; S49-K66 WeakPolarHBondContact O-CD 3.32Å; S49-K66 WeakPolarHBondContact O-CE 3.5Å; S49-K66 VanDerWaalsContact O-CG 3.28Å; S49-K66 WeakPolarHBondContact O-CG 3.43Å; Q50-K66 WeakPolarHBondContact CA-O 3.48Å; Y51-K66 PolarHBondContact N-O 3.11Å; Y51-K66 VanDerWaalsContact N-O 3.07Å; Y51-K66 PolarHBondContact O-N 3.13Å; K66-M77 HydrophobicContact CD-CG 4.15Å; K66-M77 HydrophobicContact CD-SD 4.11Å; K66-M77 WeakPolarHBondContact CE-SD 3.27Å; K66-M77 HydrophobicContact CG-CG 3.81Å; K66-M77 HydrophobicContact CG-SD 4.44Å; K66-W78 HydrophobicContact CB-CD2 4.28Å; K66-W78 HydrophobicContact CB-CE3 3.81Å; K66-W78 HydrophobicContact CB-CH2 4.12Å; K66-W78 HydrophobicContact CB-CZ3 3.74Å; K66-W78 HydrophobicContact CD-CH2 4.35Å; K66-W78 HydrophobicContact CD-CZ2 4.2Å
67V91.9Very high92.1Very high34 Ų3472 Ų7221%0.20638%0.376CS..  trans-118.7147.4-177-174.40000109.4E69 R70 W101V67-E69 VanDerWaalsContact C-N 3.28Å; V67-E69 HydrophobicContact CG1-CB 4.38Å; V67-E69 HydrophobicContact CG1-CG 4.26Å; V67-E69 PolarHBondContact O-N 3.22Å; V67-R70 PolarHBondContact O-N 3.45Å; V67-W101 HydrophobicContact CG2-CZ2 4.25Å
68I90.3Very high92Very high94 Ų9471.3 Ų71.348%0.48237%0.371SS..G310 helixtrans-63.7-32.3-176.3-160.5158.7000113S49 R70 A71S49-I68 WeakPolarHBondContact OG-CD1 3.36Å; I68-R70 PolarHBondContact O-N 2.79Å; I68-A71 VanDerWaalsContact O-CB 3.28Å; I68-A71 WeakPolarHBondContact O-CB 3.33Å; I68-A71 PolarHBondContact O-N 3.24Å
69E89.1Confident92.1Very high163 Ų16364.1 Ų64.176%0.76234%0.34SS*.G310 helixtrans-64.5-28.7-177.2-60.1-178.8169.100113V67V67-E69 VanDerWaalsContact C-N 3.28Å; V67-E69 HydrophobicContact CG1-CB 4.38Å; V67-E69 HydrophobicContact CG1-CG 4.26Å; V67-E69 PolarHBondContact O-N 3.22Å
70R89.6Confident92.3Very high99 Ų9967 Ų6737%0.37434%0.343SS..G310 helixtrans-96.18.1-177.9-60-171.5-175.4169.49.7113.5V67 I68 A72 F73 R76 E79V67-R70 PolarHBondContact O-N 3.45Å; I68-R70 PolarHBondContact O-N 2.79Å; R70-A72 PolarHBondContact O-N 3.25Å; R70-A72 VanDerWaalsContact O-N 3.17Å; R70-F73 PolarHBondContact O-N 2.84Å; R70-R76 VanDerWaalsContact CD-O 3.27Å; R70-R76 WeakPolarHBondContact CD-O 3.35Å; R70-E79 IonicContact CZ-OE1 3.27Å; R70-E79 IonicContact NE-OE1 2.61Å; R70-E79 IonicContact NH1-OE1 2.67Å; R70-E79 PolarHBondContact NH1-OE1 3.09Å; R70-E79 IonicContact NH2-OE1 3.03Å; R70-E79 PolarHBondContact NH2-OE1 3.13Å
71A87.1Confident92.4Very high18 Ų1866 Ų6615%0.14934%0.341CS..THydrogen-bonded Turntrans-58.2-31.1-178.300000113I68 F73I68-A71 VanDerWaalsContact O-CB 3.28Å; I68-A71 WeakPolarHBondContact O-CB 3.33Å; I68-A71 PolarHBondContact O-N 3.24Å; A71-F73 PolarHBondContact O-N 3.41Å
72A87.4Confident92.5Very high79 Ų7971.1 Ų71.165%0.65336%0.362SS*.THydrogen-bonded Turntrans-69.6-17.2177.300000114.1R70 P74R70-A72 PolarHBondContact O-N 3.25Å; R70-A72 VanDerWaalsContact O-N 3.17Å; A72-P74 WeakPolarHBondContact O-CD 3.33Å
73F90.8Very high92.4Very high135 Ų13570.3 Ų70.359%0.59236%0.359SS*.  trans-120.884.6-174.7-56.4-73.9000111.2R70 A71 A75 R76 M77R70-F73 PolarHBondContact O-N 2.84Å; A71-F73 PolarHBondContact O-N 3.41Å; F73-A75 VanDerWaalsContact C-N 3.26Å; F73-A75 PolarHBondContact O-N 3.39Å; F73-A75 VanDerWaalsContact O-N 3.15Å; F73-R76 HydrophobicContact CB-CB 4.44Å; F73-R76 CarbonylContact O-C 3.51Å; F73-R76 PolarHBondContact O-N 2.95Å; F73-M77 PolarHBondContact O-N 2.97Å
74P88.3Confident92.4Very high97 Ų9771.8 Ų71.863%0.6337%0.37SS*.G310 helixtrans-54-37.6-176.8-28.535.5000114.6A72 R76 M77A72-P74 WeakPolarHBondContact O-CD 3.33Å; P74-R76 VanDerWaalsContact C-N 3.26Å; P74-R76 PolarHBondContact O-N 3.38Å; P74-M77 WeakPolarHBondContact O-CB 3.38Å; P74-M77 PolarHBondContact O-N 3.39Å
75A92Very high92.1Very high108 Ų10882 Ų8289%0.89341%0.408SS*.G310 helixtrans-64.8-28178.800000113.6F73F73-A75 VanDerWaalsContact C-N 3.26Å; F73-A75 PolarHBondContact O-N 3.39Å; F73-A75 VanDerWaalsContact O-N 3.15Å
76R90.8Very high92.1Very high195 Ų19585.1 Ų85.174%0.73643%0.425SS*.G310 helixtrans-115.215.5-178.8-68.1-178167.7-173.5-3.4112.6R70 F73 P74 W78R70-R76 VanDerWaalsContact CD-O 3.27Å; R70-R76 WeakPolarHBondContact CD-O 3.35Å; F73-R76 HydrophobicContact CB-CB 4.44Å; F73-R76 CarbonylContact O-C 3.51Å; F73-R76 PolarHBondContact O-N 2.95Å; P74-R76 VanDerWaalsContact C-N 3.26Å; P74-R76 PolarHBondContact O-N 3.38Å; R76-W78 PolarHBondContact O-N 2.85Å
77M90.5Very high92.2Very high35 Ų3587.6 Ų87.617%0.17243%0.434CS..SBendtrans-64-32-176176.8179-73.200112.2K66 F73 P74K66-M77 HydrophobicContact CD-CG 4.15Å; K66-M77 HydrophobicContact CD-SD 4.11Å; K66-M77 WeakPolarHBondContact CE-SD 3.27Å; K66-M77 HydrophobicContact CG-CG 3.81Å; K66-M77 HydrophobicContact CG-SD 4.44Å; F73-M77 PolarHBondContact O-N 2.97Å; P74-M77 WeakPolarHBondContact O-CB 3.38Å; P74-M77 PolarHBondContact O-N 3.39Å
78W93.8Very high92.4Very high56 Ų5690.5 Ų90.521%0.21245%0.446CS..EExtended strand (participates in β ladder)trans-106126.4-177.8-64.194.5000111.8F33 P45 Y51 Y64 M65 K66 R76F33-W78 HydrophobicContact CB-CH2 3.81Å; F33-W78 HydrophobicContact CB-CZ2 3.64Å; F33-W78 HydrophobicContact CD1-CD2 4.23Å; F33-W78 AromaticContact CD1-CE2 3.91Å; F33-W78 HydrophobicContact CD1-CE3 4.49Å; F33-W78 HydrophobicContact CD1-CH2 4.1Å; F33-W78 AromaticContact CD1-CZ2 3.85Å; F33-W78 HydrophobicContact CD1-CZ2 3.85Å; F33-W78 HydrophobicContact CD1-CZ3 4.42Å; F33-W78 HydrophobicContact CD2-CZ2 4.28Å; F33-W78 HydrophobicContact CE1-CD2 4.32Å; F33-W78 HydrophobicContact CG-CH2 4.14Å; F33-W78 AromaticContact CG-CZ2 3.67Å; F33-W78 HydrophobicContact CG-CZ2 3.67Å; P45-W78 HydrophobicContact CB-CH2 4.34Å; P45-W78 HydrophobicContact CB-CZ2 4.38Å; Y51-W78 HydrophobicContact CD1-CH2 4.03Å; Y64-W78 HydrophobicContact CD1-CB 4.09Å; M65-W78 CarbonylContact O-C 3.52Å; M65-W78 WeakPolarHBondContact O-CA 3.19Å; K66-W78 HydrophobicContact CB-CD2 4.28Å; K66-W78 HydrophobicContact CB-CE3 3.81Å; K66-W78 HydrophobicContact CB-CH2 4.12Å; K66-W78 HydrophobicContact CB-CZ3 3.74Å; K66-W78 HydrophobicContact CD-CH2 4.35Å; K66-W78 HydrophobicContact CD-CZ2 4.2Å; R76-W78 PolarHBondContact O-N 2.85Å
79E93.3Very high92.7Very high60 Ų6092 Ų9228%0.2845%0.448SS..EExtended strand (participates in β ladder)trans-87.3143.5163.3-67.7-173.9149.100109.9Y64 M65 R70Y64-E79 CarbonylContact C-O 3.59Å; Y64-E79 WeakPolarHBondContact CA-O 3.36Å; M65-E79 HydrophobicContact CB-CB 4.36Å; M65-E79 HydrophobicContact CE-CB 4.44Å; M65-E79 PolarHBondContact N-O 3.43Å; M65-E79 PolarHBondContact O-N 3.41Å; R70-E79 IonicContact CZ-OE1 3.27Å; R70-E79 IonicContact NE-OE1 2.61Å; R70-E79 IonicContact NH1-OE1 2.67Å; R70-E79 PolarHBondContact NH1-OE1 3.09Å; R70-E79 IonicContact NH2-OE1 3.03Å; R70-E79 PolarHBondContact NH2-OE1 3.13Å
80K94.4Very high93.1Very high92 Ų9284.2 Ų84.240%0.441%0.412SS..EExtended strand (participates in β ladder)trans-125.7120.3-176.9-177-177.8177.6174.20109.7E57 F62 L63 Y64E57-K80 IonicContact OE1-NZ 2.89Å; E57-K80 PolarHBondContact OE1-NZ 2.81Å; E57-K80 IonicContact OE2-NZ 2.56Å; E57-K80 PolarHBondContact OE2-NZ 3.49Å; F62-K80 HydrophobicContact CB-CD 4.47Å; F62-K80 HydrophobicContact CB-CG 3.94Å; F62-K80 HydrophobicContact CD1-CD 4.05Å; F62-K80 HydrophobicContact CD1-CG 3.79Å; F62-K80 VanDerWaalsContact CE1-CE 3.49Å; F62-K80 HydrophobicContact CG-CD 4.27Å; F62-K80 HydrophobicContact CG-CG 4.09Å; L63-K80 WeakPolarHBondContact O-CA 3.36Å; Y64-K80 HydrophobicContact CD1-CB 4.49Å; Y64-K80 HydrophobicContact CE1-CB 4.24Å; Y64-K80 HydrophobicContact CE1-CD 4.07Å; Y64-K80 HydrophobicContact CE1-CG 4.11Å; Y64-K80 HydrophobicContact CE2-CD 4.47Å; Y64-K80 HydrophobicContact CE2-CG 4.25Å; Y64-K80 WeakPolarHBondContact OH-CD 3.49Å; Y64-K80 WeakPolarHBondContact OH-CE 3.38Å; Y64-K80 PolarHBondContact OH-NZ 2.97Å
81V96.4Very high93.4Very high45 Ų4581.2 Ų81.227%0.27340%0.403SS..EExtended strand (participates in β ladder)trans-114.1129.9176.4178.70000108.8F62 L63 M65F62-V81 CarbonylContact C-O 3.56Å; F62-V81 VanDerWaalsContact CA-O 3.27Å; F62-V81 WeakPolarHBondContact CA-O 3.5Å; L63-V81 HydrophobicContact CB-CB 4.41Å; L63-V81 PolarHBondContact N-O 3.04Å; L63-V81 PolarHBondContact O-N 3.34Å; M65-V81 HydrophobicContact CE-CG2 3.71Å
82K96.9Very high93.9Very high121 Ų12185.9 Ų85.953%0.52642%0.422SS..EExtended strand (participates in β ladder)trans-76.8124.3175.5-176.2172.5172.3167.70109.7F62F62-K82 HydrophobicContact CD1-CB 3.89Å; F62-K82 HydrophobicContact CD1-CG 4.27Å; F62-K82 HydrophobicContact CE1-CB 3.68Å; F62-K82 HydrophobicContact CE1-CD 4.21Å; F62-K82 HydrophobicContact CE1-CG 3.81Å; F62-K82 HydrophobicContact CZ-CG 4.42Å
83L96.3Very high94.4Very high8 Ų884.8 Ų84.84%0.04240%0.404CS..PPolyproline II helixtrans-83.2149.2175-65.3173.3000110.6I54 C61 L63 A90 Q93 I94 F113I54-L83 HydrophobicContact CD1-CD1 4.3Å; I54-L83 HydrophobicContact CG2-CD1 4.22Å; C61-L83 HydrophobicContact CB-CB 4.28Å; C61-L83 HydrophobicContact CB-CD1 4.19Å; C61-L83 WeakPolarHBondContact O-CB 3.5Å; C61-L83 PolarHBondContact O-N 3.12Å; L63-L83 HydrophobicContact CB-CD1 4.34Å; L63-L83 HydrophobicContact CB-CD2 4.15Å; L63-L83 HydrophobicContact CB-CG 4.22Å; L83-A90 HydrophobicContact CB-CB 4.27Å; L83-Q93 HydrophobicContact CD2-CB 4.14Å; L83-I94 HydrophobicContact CD1-CD1 4.02Å; L83-I94 HydrophobicContact CD1-CG1 4.16Å; L83-I94 HydrophobicContact CD2-CD1 4.45Å; L83-I94 HydrophobicContact CD2-CG1 3.82Å; L83-F113 HydrophobicContact CD1-CD2 3.9Å; L83-F113 HydrophobicContact CD1-CE2 3.94Å
84S95.4Very high94.6Very high32 Ų3278.4 Ų78.422%0.22438%0.376CS..PPolyproline II helixtrans-64.5157.5175.7102.90000111.7N86 K89 A90S84-N86 VanDerWaalsContact C-N 3.33Å; S84-N86 PolarHBondContact OG-N 3.45Å; S84-N86 PolarHBondContact OG-O 3.47Å; S84-K89 WeakPolarHBondContact OG-CB 3.49Å; S84-A90 PolarHBondContact OG-N 2.9Å
85R91.7Very high95Very high233 Ų23376.1 Ų76.188%0.87936%0.358SS*.SBendtrans-73.4-28.3173.7-68.4-177.9179.2174.40.7112.4
86N95.2Very high95.3Very high74 Ų7477.1 Ų77.140%0.39634%0.344SS..SBendtrans-73.3127.5176.4-176.1-31.9000108.6S84 E88 K89 A90S84-N86 VanDerWaalsContact C-N 3.33Å; S84-N86 PolarHBondContact OG-N 3.45Å; S84-N86 PolarHBondContact OG-O 3.47Å; N86-E88 PolarHBondContact O-N 3.09Å; N86-E88 PolarHBondContact OD1-N 2.82Å; N86-E88 VanDerWaalsContact OD1-N 3.07Å; N86-K89 HydrophobicContact CB-CB 4.26Å; N86-K89 HydrophobicContact CB-CD 4.25Å; N86-K89 HydrophobicContact CB-CG 4.3Å; N86-A90 VanDerWaalsContact O-CB 3.25Å; N86-A90 WeakPolarHBondContact O-CB 3.47Å; N86-A90 PolarHBondContact O-N 3.07Å
87Y94.5Very high95.5Very high62 Ų6270.5 Ų70.524%0.24332%0.323CS..Hα-helixtrans-61.7-44.3-174.9179.7-106.4000112.6A90 L91 F113 T114 T117Y87-A90 PolarHBondContact O-N 3.29Å; Y87-L91 HydrophobicContact CD1-CD1 4.08Å; Y87-L91 HydrophobicContact CE1-CD1 3.47Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.47Å; Y87-L91 HydrophobicContact CE1-CG 4.29Å; Y87-L91 HydrophobicContact CE2-CD1 4.37Å; Y87-L91 HydrophobicContact CE2-CG 4.42Å; Y87-L91 WeakPolarHBondContact O-CG 3.36Å; Y87-L91 PolarHBondContact O-N 2.96Å; Y87-L91 VanDerWaalsContact O-N 3.07Å; Y87-F113 AromaticContact CD2-CD1 3.92Å; Y87-F113 HydrophobicContact CD2-CD1 3.92Å; Y87-F113 AromaticContact CD2-CE1 3.39Å; Y87-F113 HydrophobicContact CD2-CE1 3.39Å; Y87-F113 HydrophobicContact CD2-CZ 4.28Å; Y87-F113 AromaticContact CE2-CD1 3.69Å; Y87-F113 HydrophobicContact CE2-CD1 3.69Å; Y87-F113 AromaticContact CE2-CE1 3.68Å; Y87-F113 HydrophobicContact CE2-CE1 3.68Å; Y87-F113 HydrophobicContact CG-CE1 4.36Å; Y87-T114 HydrophobicContact CE2-CG2 4.39Å; Y87-T114 PolarHBondContact OH-OG1 2.82Å; Y87-T117 HydrophobicContact CD2-CG2 4.33Å
88E96.5Very high95.7Very high95 Ų9568.8 Ų68.844%0.44432%0.315SS..Hα-helixtrans-67.8-51.4-176.5-63.5179.9159.500111.1N86 A90 L91 E92 Y287N86-E88 PolarHBondContact O-N 3.09Å; N86-E88 PolarHBondContact OD1-N 2.82Å; N86-E88 VanDerWaalsContact OD1-N 3.07Å; E88-A90 PolarHBondContact O-N 2.96Å; E88-L91 WeakPolarHBondContact O-CB 3.41Å; E88-L91 PolarHBondContact O-N 3.01Å; E88-E92 PolarHBondContact O-N 3.18Å; E88-Y287 HydrophobicContact CG-CE1 4.1Å; E88-Y287 WeakPolarHBondContact OE1-CD1 3.39Å; E88-Y287 WeakPolarHBondContact OE1-CE1 3.48Å
89K96.9Very high95.8Very high124 Ų12470.6 Ų70.654%0.53933%0.328SS..Hα-helixtrans-58.1-36.5176.4-65.1-175.1-179.9-178.90112.1S84 N86 E92 Q93S84-K89 WeakPolarHBondContact OG-CB 3.49Å; N86-K89 HydrophobicContact CB-CB 4.26Å; N86-K89 HydrophobicContact CB-CD 4.25Å; N86-K89 HydrophobicContact CB-CG 4.3Å; K89-E92 PolarHBondContact O-N 3.05Å; K89-Q93 WeakPolarHBondContact O-CB 3.2Å; K89-Q93 VanDerWaalsContact O-CG 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.37Å; K89-Q93 PolarHBondContact O-N 2.88Å
90A97.1Very high95.8Very high0 Ų077 Ų770%035%0.351CS..Hα-helixtrans-69.7-33.1176.400000112.7L83 S84 N86 Y87 E88 I94 F113L83-A90 HydrophobicContact CB-CB 4.27Å; S84-A90 PolarHBondContact OG-N 2.9Å; N86-A90 VanDerWaalsContact O-CB 3.25Å; N86-A90 WeakPolarHBondContact O-CB 3.47Å; N86-A90 PolarHBondContact O-N 3.07Å; Y87-A90 PolarHBondContact O-N 3.29Å; E88-A90 PolarHBondContact O-N 2.96Å; A90-I94 WeakPolarHBondContact O-CD1 2.97Å; A90-I94 WeakPolarHBondContact O-CG1 3.44Å; A90-I94 PolarHBondContact O-N 3.27Å; A90-F113 HydrophobicContact CB-CE1 3.59Å; A90-F113 HydrophobicContact CB-CE2 4.14Å; A90-F113 HydrophobicContact CB-CZ 3.3Å
91L96.9Very high95.8Very high36 Ų3674.2 Ų74.219%0.18834%0.338CS..Hα-helixtrans-67.3-40.8173.6-72.8177.1000111.9Y87 E88 I94 D95 K110 F113Y87-L91 HydrophobicContact CD1-CD1 4.08Å; Y87-L91 HydrophobicContact CE1-CD1 3.47Å; Y87-L91 VanDerWaalsContact CE1-CD1 3.47Å; Y87-L91 HydrophobicContact CE1-CG 4.29Å; Y87-L91 HydrophobicContact CE2-CD1 4.37Å; Y87-L91 HydrophobicContact CE2-CG 4.42Å; Y87-L91 WeakPolarHBondContact O-CG 3.36Å; Y87-L91 PolarHBondContact O-N 2.96Å; Y87-L91 VanDerWaalsContact O-N 3.07Å; E88-L91 WeakPolarHBondContact O-CB 3.41Å; E88-L91 PolarHBondContact O-N 3.01Å; L91-I94 PolarHBondContact O-N 3.38Å; L91-D95 PolarHBondContact O-N 3.1Å; L91-K110 HydrophobicContact CD2-CB 4.06Å; L91-K110 HydrophobicContact CD2-CD 4.2Å; L91-K110 HydrophobicContact CD2-CG 3.84Å; L91-F113 HydrophobicContact CD2-CD1 3.97Å; L91-F113 HydrophobicContact CG-CD1 4.45Å
92E97.1Very high95.6Very high116 Ų11675.2 Ų75.254%0.54235%0.345SS..Hα-helixtrans-61.4-47.8174.1-67.6171.9168.900110.8E88 K89 I94 D95 E96E88-E92 PolarHBondContact O-N 3.18Å; K89-E92 PolarHBondContact O-N 3.05Å; E92-I94 VanDerWaalsContact C-N 3.27Å; E92-I94 PolarHBondContact O-N 3.45Å; E92-D95 WeakPolarHBondContact O-CA 3.43Å; E92-D95 WeakPolarHBondContact O-CB 3.11Å; E92-D95 PolarHBondContact O-N 3.48Å; E92-E96 WeakPolarHBondContact O-CG 3.27Å; E92-E96 PolarHBondContact O-N 3.37Å
93Q96.8Very high95.5Very high57 Ų5780 Ų8027%0.26636%0.36SS..Hα-helixtrans-56.1-40174.4-75.1175.1-19.200112.6L83 K89 D95 N97L83-Q93 HydrophobicContact CD2-CB 4.14Å; K89-Q93 WeakPolarHBondContact O-CB 3.2Å; K89-Q93 VanDerWaalsContact O-CG 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.37Å; K89-Q93 PolarHBondContact O-N 2.88Å; Q93-D95 VanDerWaalsContact C-N 3.33Å; Q93-N97 WeakPolarHBondContact O-CB 3.47Å; Q93-N97 PolarHBondContact O-N 2.78Å; Q93-N97 PolarHBondContact O-ND2 3.15Å
94I96.6Very high95.4Very high0 Ų083.6 Ų83.60%038%0.375CS..Hα-helixtrans-65.5-39.5176.3-69.7162.1000110.6I54 L83 A90 L91 E92 L98 C109 K110 F113I54-I94 HydrophobicContact CD1-CD1 3.58Å; I54-I94 HydrophobicContact CD1-CG1 4.29Å; L83-I94 HydrophobicContact CD1-CD1 4.02Å; L83-I94 HydrophobicContact CD1-CG1 4.16Å; L83-I94 HydrophobicContact CD2-CD1 4.45Å; L83-I94 HydrophobicContact CD2-CG1 3.82Å; A90-I94 WeakPolarHBondContact O-CD1 2.97Å; A90-I94 WeakPolarHBondContact O-CG1 3.44Å; A90-I94 PolarHBondContact O-N 3.27Å; L91-I94 PolarHBondContact O-N 3.38Å; E92-I94 VanDerWaalsContact C-N 3.27Å; E92-I94 PolarHBondContact O-N 3.45Å; I94-L98 HydrophobicContact CG2-CD1 3.76Å; I94-L98 VanDerWaalsContact O-CB 3.22Å; I94-L98 WeakPolarHBondContact O-CB 3.42Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.34Å; I94-L98 VanDerWaalsContact O-N 3.11Å; I94-C109 HydrophobicContact CG2-CB 4.19Å; I94-K110 HydrophobicContact CG2-CG 4.18Å; I94-F113 HydrophobicContact CD1-CB 4.05Å; I94-F113 HydrophobicContact CD1-CD1 4.2Å; I94-F113 HydrophobicContact CD1-CD2 4.49Å; I94-F113 HydrophobicContact CD1-CG 4Å
95D96.6Very high95.4Very high50 Ų5082.4 Ų82.427%0.26737%0.366SS..Hα-helixtrans-67.3-43.3178.1-79.2-34000112.8L91 E92 Q93 L98 I99 R106 K110L91-D95 PolarHBondContact O-N 3.1Å; E92-D95 WeakPolarHBondContact O-CA 3.43Å; E92-D95 WeakPolarHBondContact O-CB 3.11Å; E92-D95 PolarHBondContact O-N 3.48Å; Q93-D95 VanDerWaalsContact C-N 3.33Å; D95-L98 PolarHBondContact O-N 3Å; D95-I99 VanDerWaalsContact O-CG1 3.31Å; D95-I99 WeakPolarHBondContact O-CG1 3.29Å; D95-I99 PolarHBondContact O-N 3.26Å; D95-R106 WeakPolarHBondContact OD1-CD 3.27Å; D95-K110 WeakPolarHBondContact OD1-CE 3.34Å; D95-K110 IonicContact OD1-NZ 2.86Å; D95-K110 PolarHBondContact OD1-NZ 3.41Å; D95-K110 VanDerWaalsContact OD2-CE 3.26Å; D95-K110 WeakPolarHBondContact OD2-CE 3.4Å; D95-K110 IonicContact OD2-NZ 3.96Å; D95-K110 PolarHBondContact OD2-NZ 3.34Å
96E96.6Very high95.6Very high128 Ų12874.3 Ų74.360%0.59834%0.336SS*.Hα-helixtrans-64.2-45.2178.7-70.7172.8175.900112.1E92 L98 I99E92-E96 WeakPolarHBondContact O-CG 3.27Å; E92-E96 PolarHBondContact O-N 3.37Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-L98 PolarHBondContact O-N 3.42Å; E96-I99 WeakPolarHBondContact O-CD1 3.33Å; E96-I99 WeakPolarHBondContact O-CG1 3.35Å
97N95.4Very high95.7Very high56 Ų5675.8 Ų75.830%0.29934%0.34SS..Hα-helixtrans-72.3-29.7179.8-74.1-68.8000112.2L63 M65 Q93 W101L63-N97 HydrophobicContact CD2-CB 3.8Å; M65-N97 HydrophobicContact SD-CB 3.89Å; Q93-N97 WeakPolarHBondContact O-CB 3.47Å; Q93-N97 PolarHBondContact O-N 2.78Å; Q93-N97 PolarHBondContact O-ND2 3.15Å; N97-W101 WeakPolarHBondContact O-CZ3 3.43Å
98L95.4Very high95.8Very high0 Ų075.7 Ų75.70%034%0.341CS..THydrogen-bonded Turntrans-102.926.5-175-60.3179000114.2A52 L63 M65 I94 D95 E96 Y100 W101 R106 C109A52-L98 HydrophobicContact CB-CD1 4.23Å; A52-L98 HydrophobicContact CB-CD2 3.52Å; L63-L98 HydrophobicContact CD1-CD1 4.27Å; L63-L98 HydrophobicContact CD2-CG 4.36Å; M65-L98 HydrophobicContact CG-CD2 4.25Å; M65-L98 HydrophobicContact SD-CD2 4.16Å; I94-L98 HydrophobicContact CG2-CD1 3.76Å; I94-L98 VanDerWaalsContact O-CB 3.22Å; I94-L98 WeakPolarHBondContact O-CB 3.42Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.34Å; I94-L98 VanDerWaalsContact O-N 3.11Å; D95-L98 PolarHBondContact O-N 3Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-L98 PolarHBondContact O-N 3.42Å; L98-Y100 VanDerWaalsContact C-N 3.33Å; L98-Y100 PolarHBondContact O-N 3.13Å; L98-W101 HydrophobicContact CB-CB 4.21Å; L98-W101 HydrophobicContact CD2-CB 4.28Å; L98-W101 HydrophobicContact CD2-CD2 3.74Å; L98-W101 HydrophobicContact CD2-CE3 4.12Å; L98-W101 HydrophobicContact CD2-CG 3.8Å; L98-W101 PolarHBondContact O-N 3.44Å; L98-R106 HydrophobicContact CB-CG 4.16Å; L98-R106 HydrophobicContact CD1-CG 4.45Å; L98-R106 PolarHBondContact O-NE 3.39Å; L98-R106 PolarHBondContact O-NH2 2.93Å; L98-C109 HydrophobicContact CD1-CB 4.06Å
99I95.1Very high95.8Very high94 Ų9471.2 Ų71.248%0.48232%0.32SS..THydrogen-bonded Turntrans-56.7-45.2-179.3-67.5166.8000111.8D95 E96 W101 R106D95-I99 VanDerWaalsContact O-CG1 3.31Å; D95-I99 WeakPolarHBondContact O-CG1 3.29Å; D95-I99 PolarHBondContact O-N 3.26Å; E96-I99 WeakPolarHBondContact O-CD1 3.33Å; E96-I99 WeakPolarHBondContact O-CG1 3.35Å; I99-W101 VanDerWaalsContact C-N 3.34Å; I99-R106 PolarHBondContact O-NH2 3.16Å
100Y93.4Very high95.8Very high193 Ų19368 Ų6876%0.75731%0.306SS*.THydrogen-bonded Turntrans-90.57.4-176.8-55.6-66.9000114.2Q50 L98Q50-Y100 PolarHBondContact NE2-O 3.24Å; Q50-Y100 VanDerWaalsContact NE2-O 3.09Å; L98-Y100 VanDerWaalsContact C-N 3.33Å; L98-Y100 PolarHBondContact O-N 3.13Å
101W94.3Very high95.8Very high35 Ų3571.9 Ų71.913%0.13332%0.324CS..SBendtrans-94.3154.1178.3-80.6-110.1000111.5Q50 Y51 M65 V67 N97 L98 I99 R106Q50-W101 HydrophobicContact CG-CD2 4.48Å; Q50-W101 HydrophobicContact CG-CG 4.36Å; Y51-W101 PolarHBondContact O-NE1 2.84Å; M65-W101 HydrophobicContact CB-CZ2 4.4Å; M65-W101 HydrophobicContact SD-CH2 4.48Å; V67-W101 HydrophobicContact CG2-CZ2 4.25Å; N97-W101 WeakPolarHBondContact O-CZ3 3.43Å; L98-W101 HydrophobicContact CB-CB 4.21Å; L98-W101 HydrophobicContact CD2-CB 4.28Å; L98-W101 HydrophobicContact CD2-CD2 3.74Å; L98-W101 HydrophobicContact CD2-CE3 4.12Å; L98-W101 HydrophobicContact CD2-CG 3.8Å; L98-W101 PolarHBondContact O-N 3.44Å; I99-W101 VanDerWaalsContact C-N 3.34Å; W101-R106 PolarHBondContact O-NH2 2.89Å
102P93.8Very high95.7Very high65 Ų6573.4 Ų73.442%0.42233%0.327SS..  trans-53.8141.3174.5-25.633.3000112.8F104 I105 R106P102-F104 PolarHBondContact O-N 2.91Å; P102-F104 VanDerWaalsContact O-N 3.12Å; P102-I105 HydrophobicContact CG-CD1 4.4Å; P102-I105 PolarHBondContact O-N 3.05Å; P102-R106 PolarHBondContact O-N 3.12Å
103R94.6Very high95.7Very high223 Ų22368 Ų6884%0.84230%0.302SS*.Hα-helixtrans-53.3-36.5178.5-68.6-175.5178.4-177.6-0.2112.8R106 H107R103-R106 PolarHBondContact O-N 2.83Å; R103-H107 VanDerWaalsContact O-CB 3.3Å; R103-H107 WeakPolarHBondContact O-CB 3.35Å; R103-H107 PolarHBondContact O-N 3.3Å
104F94.7Very high95.7Very high82 Ų8266.7 Ų66.736%0.3630%0.298SS..Hα-helixtrans-56.6-50.4176.3174.4-99.4000111.8T36 A42 P102 H107 K108T36-F104 HydrophobicContact CG2-CZ 4.29Å; A42-F104 HydrophobicContact CB-CD1 4.1Å; A42-F104 HydrophobicContact CB-CE1 3.8Å; A42-F104 HydrophobicContact CB-CZ 4.2Å; A42-F104 WeakPolarHBondContact O-CE1 3.32Å; P102-F104 PolarHBondContact O-N 2.91Å; P102-F104 VanDerWaalsContact O-N 3.12Å; F104-H107 PolarHBondContact O-N 2.62Å; F104-K108 HydrophobicContact CD2-CG 4.17Å; F104-K108 HydrophobicContact CE1-CG 4.27Å; F104-K108 HydrophobicContact CE2-CD 4.46Å; F104-K108 HydrophobicContact CE2-CG 3.84Å; F104-K108 HydrophobicContact CZ-CG 3.89Å; F104-K108 WeakPolarHBondContact O-CB 3.28Å; F104-K108 VanDerWaalsContact O-CG 3.26Å; F104-K108 WeakPolarHBondContact O-CG 3.44Å; F104-K108 PolarHBondContact O-N 3.17Å
105I95.4Very high95.7Very high7 Ų773.1 Ų73.14%0.03633%0.326CS..Hα-helixtrans-64.8-46.9-178.9-68.1-177.9000110L35 Y51 A52 P102 H107 K108 C109L35-I105 HydrophobicContact CD1-CB 4.39Å; L35-I105 HydrophobicContact CD1-CG1 4.29Å; L35-I105 HydrophobicContact CD1-CG2 4.1Å; Y51-I105 HydrophobicContact CD2-CD1 3.66Å; Y51-I105 HydrophobicContact CD2-CG1 4.45Å; Y51-I105 HydrophobicContact CE2-CD1 4.06Å; Y51-I105 HydrophobicContact CE2-CG1 4.39Å; Y51-I105 HydrophobicContact CG-CD1 4.41Å; A52-I105 HydrophobicContact CB-CG2 3.75Å; P102-I105 HydrophobicContact CG-CD1 4.4Å; P102-I105 PolarHBondContact O-N 3.05Å; I105-H107 PolarHBondContact O-N 2.81Å; I105-K108 PolarHBondContact O-N 2.73Å; I105-C109 VanDerWaalsContact O-CB 3.32Å; I105-C109 WeakPolarHBondContact O-CB 3.31Å; I105-C109 PolarHBondContact O-N 3.3Å; I105-C109 PolarHBondContact O-SG 2.88Å
106R95.6Very high95.6Very high63 Ų6371.2 Ų71.224%0.23832%0.316CS..Hα-helixtrans-58.3-48.8179-164.9-177.4-47.6174.57.6111.9D95 L98 I99 W101 P102 R103 C109 K110D95-R106 WeakPolarHBondContact OD1-CD 3.27Å; L98-R106 HydrophobicContact CB-CG 4.16Å; L98-R106 HydrophobicContact CD1-CG 4.45Å; L98-R106 PolarHBondContact O-NE 3.39Å; L98-R106 PolarHBondContact O-NH2 2.93Å; I99-R106 PolarHBondContact O-NH2 3.16Å; W101-R106 PolarHBondContact O-NH2 2.89Å; P102-R106 PolarHBondContact O-N 3.12Å; R103-R106 PolarHBondContact O-N 2.83Å; R106-C109 PolarHBondContact O-N 2.56Å; R106-K110 WeakPolarHBondContact O-CG 3.21Å; R106-K110 PolarHBondContact O-N 3.48Å
107H96.2Very high95.5Very high106 Ų10666.5 Ų66.549%0.49130%0.296SS..Hα-helixtrans-64.1-43.4179.2-175.569.2000112.2R103 F104 I105 K110 Q111R103-H107 VanDerWaalsContact O-CB 3.3Å; R103-H107 WeakPolarHBondContact O-CB 3.35Å; R103-H107 PolarHBondContact O-N 3.3Å; F104-H107 PolarHBondContact O-N 2.62Å; I105-H107 PolarHBondContact O-N 2.81Å; H107-K110 PolarHBondContact O-N 3.02Å; H107-Q111 PolarHBondContact NE2-NE2 2.75Å; H107-Q111 WeakPolarHBondContact O-CG 3.42Å; H107-Q111 PolarHBondContact O-N 3.48Å
108K96.4Very high95.6Very high60 Ų6066.8 Ų66.826%0.26130%0.295SS..Hα-helixtrans-69.4-34.1177.9-69-58.4-179-176.30112.9L35 T36 F104 I105 Q111 R112L35-K108 HydrophobicContact CB-CB 4.42Å; L35-K108 HydrophobicContact CD1-CB 4.13Å; T36-K108 HydrophobicContact CG2-CD 4.05Å; T36-K108 HydrophobicContact CG2-CG 4.15Å; F104-K108 HydrophobicContact CD2-CG 4.17Å; F104-K108 HydrophobicContact CE1-CG 4.27Å; F104-K108 HydrophobicContact CE2-CD 4.46Å; F104-K108 HydrophobicContact CE2-CG 3.84Å; F104-K108 HydrophobicContact CZ-CG 3.89Å; F104-K108 WeakPolarHBondContact O-CB 3.28Å; F104-K108 VanDerWaalsContact O-CG 3.26Å; F104-K108 WeakPolarHBondContact O-CG 3.44Å; F104-K108 PolarHBondContact O-N 3.17Å; I105-K108 PolarHBondContact O-N 2.73Å; K108-Q111 VanDerWaalsContact CD-OE1 3.26Å; K108-Q111 PolarHBondContact O-N 3.24Å; K108-R112 VanDerWaalsContact O-CB 3.3Å; K108-R112 WeakPolarHBondContact O-CB 2.87Å; K108-R112 PolarHBondContact O-N 3.15Å
109C96.7Very high95.6Very high0 Ų070.2 Ų70.20%031%0.309CS..Hα-helixtrans-58.2-53.1169.8-73.20000110I54 I94 L98 I105 R106 Q111 R112 F113I54-C109 HydrophobicContact CD1-CB 3.96Å; I54-C109 WeakPolarHBondContact CD1-O 3.47Å; I54-C109 HydrophobicContact CG1-CB 4.26Å; I94-C109 HydrophobicContact CG2-CB 4.19Å; L98-C109 HydrophobicContact CD1-CB 4.06Å; I105-C109 VanDerWaalsContact O-CB 3.32Å; I105-C109 WeakPolarHBondContact O-CB 3.31Å; I105-C109 PolarHBondContact O-N 3.3Å; I105-C109 PolarHBondContact O-SG 2.88Å; R106-C109 PolarHBondContact O-N 2.56Å; C109-Q111 VanDerWaalsContact C-N 3.34Å; C109-Q111 PolarHBondContact O-N 3.47Å; C109-R112 PolarHBondContact O-N 3.41Å; C109-R112 VanDerWaalsContact O-N 3.12Å; C109-F113 PolarHBondContact O-N 2.99Å
110K96.6Very high95.5Very high56 Ų5666.5 Ų66.524%0.24329%0.29CS..Hα-helixtrans-56-46.3175.8-68-176178.1-174.70112.7L91 I94 D95 R106 H107 R112 F113 T114L91-K110 HydrophobicContact CD2-CB 4.06Å; L91-K110 HydrophobicContact CD2-CD 4.2Å; L91-K110 HydrophobicContact CD2-CG 3.84Å; I94-K110 HydrophobicContact CG2-CG 4.18Å; D95-K110 WeakPolarHBondContact OD1-CE 3.34Å; D95-K110 IonicContact OD1-NZ 2.86Å; D95-K110 PolarHBondContact OD1-NZ 3.41Å; D95-K110 VanDerWaalsContact OD2-CE 3.26Å; D95-K110 WeakPolarHBondContact OD2-CE 3.4Å; D95-K110 IonicContact OD2-NZ 3.96Å; D95-K110 PolarHBondContact OD2-NZ 3.34Å; R106-K110 WeakPolarHBondContact O-CG 3.21Å; R106-K110 PolarHBondContact O-N 3.48Å; H107-K110 PolarHBondContact O-N 3.02Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.02Å; K110-F113 WeakPolarHBondContact O-CB 3.43Å; K110-F113 PolarHBondContact O-N 3.15Å; K110-T114 PolarHBondContact O-N 3.31Å; K110-T114 PolarHBondContact O-OG1 3.18Å
111Q96.8Very high95.6Very high82 Ų8261.2 Ų61.238%0.38327%0.274SS..Hα-helixtrans-59.2-44.3176.7-73.2-173.6-16.500112.1H107 K108 C109 T114 K115H107-Q111 PolarHBondContact NE2-NE2 2.75Å; H107-Q111 WeakPolarHBondContact O-CG 3.42Å; H107-Q111 PolarHBondContact O-N 3.48Å; K108-Q111 VanDerWaalsContact CD-OE1 3.26Å; K108-Q111 PolarHBondContact O-N 3.24Å; C109-Q111 VanDerWaalsContact C-N 3.34Å; C109-Q111 PolarHBondContact O-N 3.47Å; Q111-T114 PolarHBondContact O-N 3.35Å; Q111-K115 WeakPolarHBondContact O-CG 3.12Å; Q111-K115 PolarHBondContact O-N 2.97Å
112R95.9Very high95.6Very high68 Ų6867.1 Ų67.126%0.25730%0.296SS..Hα-helixtrans-66.1-41.2178.1-171.1179.2179.6102.3-10111.5E32 N34 L35 I54 K108 C109 K110 T114 K115 I116E32-R112 PolarHBondContact O-NH2 2.97Å; N34-R112 VanDerWaalsContact O-CZ 3.25Å; N34-R112 PolarHBondContact O-NH1 2.96Å; N34-R112 PolarHBondContact O-NH2 3.32Å; L35-R112 PolarHBondContact O-NH1 3.37Å; I54-R112 WeakPolarHBondContact O-CD 3.49Å; I54-R112 PolarHBondContact O-NE 2.62Å; K108-R112 VanDerWaalsContact O-CB 3.3Å; K108-R112 WeakPolarHBondContact O-CB 2.87Å; K108-R112 PolarHBondContact O-N 3.15Å; C109-R112 PolarHBondContact O-N 3.41Å; C109-R112 VanDerWaalsContact O-N 3.12Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.02Å; R112-T114 PolarHBondContact O-N 2.84Å; R112-K115 PolarHBondContact O-N 2.48Å; R112-I116 HydrophobicContact CG-CD1 3.93Å; R112-I116 WeakPolarHBondContact O-CB 3.46Å; R112-I116 VanDerWaalsContact O-CG1 3.31Å; R112-I116 WeakPolarHBondContact O-CG1 3.32Å; R112-I116 PolarHBondContact O-N 3.33Å
113F96.6Very high95.6Very high3 Ų368.7 Ų68.71%0.01330%0.299CS..Hα-helixtrans-55.9-51.2173.4-176.8-121.4000111.2I54 C61 L83 Y87 A90 L91 I94 C109 K110 K115 I116 T117I54-F113 HydrophobicContact CD1-CB 3.55Å; I54-F113 HydrophobicContact CD1-CD2 4.43Å; I54-F113 HydrophobicContact CD1-CG 4.32Å; I54-F113 HydrophobicContact CG2-CD2 4.27Å; C61-F113 HydrophobicContact CB-CD2 4.25Å; C61-F113 HydrophobicContact CB-CE2 3.86Å; L83-F113 HydrophobicContact CD1-CD2 3.9Å; L83-F113 HydrophobicContact CD1-CE2 3.94Å; Y87-F113 AromaticContact CD2-CD1 3.92Å; Y87-F113 HydrophobicContact CD2-CD1 3.92Å; Y87-F113 AromaticContact CD2-CE1 3.39Å; Y87-F113 HydrophobicContact CD2-CE1 3.39Å; Y87-F113 HydrophobicContact CD2-CZ 4.28Å; Y87-F113 AromaticContact CE2-CD1 3.69Å; Y87-F113 HydrophobicContact CE2-CD1 3.69Å; Y87-F113 AromaticContact CE2-CE1 3.68Å; Y87-F113 HydrophobicContact CE2-CE1 3.68Å; Y87-F113 HydrophobicContact CG-CE1 4.36Å; A90-F113 HydrophobicContact CB-CE1 3.59Å; A90-F113 HydrophobicContact CB-CE2 4.14Å; A90-F113 HydrophobicContact CB-CZ 3.3Å; L91-F113 HydrophobicContact CD2-CD1 3.97Å; L91-F113 HydrophobicContact CG-CD1 4.45Å; I94-F113 HydrophobicContact CD1-CB 4.05Å; I94-F113 HydrophobicContact CD1-CD1 4.2Å; I94-F113 HydrophobicContact CD1-CD2 4.49Å; I94-F113 HydrophobicContact CD1-CG 4Å; C109-F113 PolarHBondContact O-N 2.99Å; K110-F113 WeakPolarHBondContact O-CB 3.43Å; K110-F113 PolarHBondContact O-N 3.15Å; F113-K115 VanDerWaalsContact C-N 3.28Å; F113-K115 PolarHBondContact O-N 3.25Å; F113-I116 WeakPolarHBondContact O-CA 3.28Å; F113-I116 WeakPolarHBondContact O-CB 3.31Å; F113-I116 PolarHBondContact O-N 3.01Å; F113-T117 HydrophobicContact CD1-CG2 4.44Å; F113-T117 HydrophobicContact CD2-CG2 4.18Å; F113-T117 HydrophobicContact CE1-CG2 4.06Å; F113-T117 HydrophobicContact CE2-CG2 3.77Å; F113-T117 HydrophobicContact CG-CG2 4.49Å; F113-T117 HydrophobicContact CZ-CG2 3.69Å; F113-T117 WeakPolarHBondContact O-CG2 3.46Å; F113-T117 PolarHBondContact O-N 3.06Å; F113-T117 PolarHBondContact O-OG1 3.35Å
114T96.4Very high95.5Very high29 Ų2965.4 Ų65.418%0.17829%0.286CS..Hα-helixtrans-59.9-39.1178.3-520000111.9Y87 K110 Q111 R112 I116 T117 Q118Y87-T114 HydrophobicContact CE2-CG2 4.39Å; Y87-T114 PolarHBondContact OH-OG1 2.82Å; K110-T114 PolarHBondContact O-N 3.31Å; K110-T114 PolarHBondContact O-OG1 3.18Å; Q111-T114 PolarHBondContact O-N 3.35Å; R112-T114 PolarHBondContact O-N 2.84Å; T114-I116 VanDerWaalsContact C-N 3.33Å; T114-T117 WeakPolarHBondContact CA-OG1 3.47Å; T114-T117 PolarHBondContact O-OG1 3.1Å; T114-Q118 VanDerWaalsContact O-CB 3.28Å; T114-Q118 WeakPolarHBondContact O-CB 3.36Å; T114-Q118 WeakPolarHBondContact O-CG 3.42Å; T114-Q118 PolarHBondContact O-N 2.94Å
115K96.4Very high95.5Very high136 Ų13667.8 Ų67.859%0.59130%0.297SS*.Hα-helixtrans-67.4-36.7174.4-70.4-62.4176.1-165.20112.2Q111 R112 F113 Y119Q111-K115 WeakPolarHBondContact O-CG 3.12Å; Q111-K115 PolarHBondContact O-N 2.97Å; R112-K115 PolarHBondContact O-N 2.48Å; F113-K115 VanDerWaalsContact C-N 3.28Å; F113-K115 PolarHBondContact O-N 3.25Å; K115-Y119 VanDerWaalsContact O-CD1 3.29Å; K115-Y119 WeakPolarHBondContact O-CD1 3.43Å; K115-Y119 PolarHBondContact O-N 3.34Å
116I95.4Very high95.3Very high10 Ų1071.7 Ų71.75%0.05132%0.317CS..Hα-helixtrans-63.1-52.4176.7-73.3162.3000111.3I54 E56 C61 R112 F113 T114 Q118 Y119 L120I54-I116 HydrophobicContact CB-CD1 4.13Å; I54-I116 HydrophobicContact CG2-CD1 3.63Å; E56-I116 HydrophobicContact CB-CG2 4.17Å; C61-I116 WeakPolarHBondContact SG-CG2 3.44Å; R112-I116 HydrophobicContact CG-CD1 3.93Å; R112-I116 WeakPolarHBondContact O-CB 3.46Å; R112-I116 VanDerWaalsContact O-CG1 3.31Å; R112-I116 WeakPolarHBondContact O-CG1 3.32Å; R112-I116 PolarHBondContact O-N 3.33Å; F113-I116 WeakPolarHBondContact O-CA 3.28Å; F113-I116 WeakPolarHBondContact O-CB 3.31Å; F113-I116 PolarHBondContact O-N 3.01Å; T114-I116 VanDerWaalsContact C-N 3.33Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 3.08Å; I116-Y119 HydrophobicContact CB-CD1 4.35Å; I116-Y119 HydrophobicContact CB-CE1 3.71Å; I116-Y119 HydrophobicContact CG1-CD1 4.39Å; I116-Y119 HydrophobicContact CG1-CE1 3.53Å; I116-Y119 HydrophobicContact CG2-CE1 3.86Å; I116-Y119 WeakPolarHBondContact CG2-OH 3.47Å; I116-Y119 WeakPolarHBondContact O-CD1 3.41Å; I116-Y119 VanDerWaalsContact O-CG 3.32Å; I116-Y119 PolarHBondContact O-N 3.42Å; I116-L120 HydrophobicContact CG2-CD1 4.08Å; I116-L120 HydrophobicContact CG2-CG 4.49Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 2.82Å
117T95.4Very high95.1Very high28 Ų2874.3 Ų74.317%0.17234%0.34CS..Hα-helixtrans-61-41.8178.456.70000111.6Y87 F113 T114 Y119 L120 I121Y87-T117 HydrophobicContact CD2-CG2 4.33Å; F113-T117 HydrophobicContact CD1-CG2 4.44Å; F113-T117 HydrophobicContact CD2-CG2 4.18Å; F113-T117 HydrophobicContact CE1-CG2 4.06Å; F113-T117 HydrophobicContact CE2-CG2 3.77Å; F113-T117 HydrophobicContact CG-CG2 4.49Å; F113-T117 HydrophobicContact CZ-CG2 3.69Å; F113-T117 WeakPolarHBondContact O-CG2 3.46Å; F113-T117 PolarHBondContact O-N 3.06Å; F113-T117 PolarHBondContact O-OG1 3.35Å; T114-T117 WeakPolarHBondContact CA-OG1 3.47Å; T114-T117 PolarHBondContact O-OG1 3.1Å; T117-Y119 PolarHBondContact O-N 3.49Å; T117-L120 PolarHBondContact O-N 2.87Å; T117-I121 WeakPolarHBondContact O-CG1 3.48Å; T117-I121 PolarHBondContact O-N 3.26Å
118Q96Very high95Very high62 Ų6276.5 Ų76.529%0.2936%0.355SS..Hα-helixtrans-59.2-44.6175.4-78174.22.200112.8T114 I116 R122T114-Q118 VanDerWaalsContact O-CB 3.28Å; T114-Q118 WeakPolarHBondContact O-CB 3.36Å; T114-Q118 WeakPolarHBondContact O-CG 3.42Å; T114-Q118 PolarHBondContact O-N 2.94Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 3.08Å; Q118-R122 WeakPolarHBondContact O-CB 3.42Å; Q118-R122 PolarHBondContact O-N 3.38Å
119Y95.1Very high94.8Very high73 Ų7379.9 Ų79.929%0.28637%0.369SS..Hα-helixtrans-71.3-33.5177.980.1-119000111.9E56 K115 I116 T117 I121 R122 M123E56-Y119 WeakPolarHBondContact CB-OH 3.21Å; E56-Y119 VanDerWaalsContact CD-OH 3.31Å; E56-Y119 WeakPolarHBondContact CG-OH 3.28Å; E56-Y119 WeakPolarHBondContact OE2-CE2 3.47Å; E56-Y119 PolarHBondContact OE2-OH 2.87Å; K115-Y119 VanDerWaalsContact O-CD1 3.29Å; K115-Y119 WeakPolarHBondContact O-CD1 3.43Å; K115-Y119 PolarHBondContact O-N 3.34Å; I116-Y119 HydrophobicContact CB-CD1 4.35Å; I116-Y119 HydrophobicContact CB-CE1 3.71Å; I116-Y119 HydrophobicContact CG1-CD1 4.39Å; I116-Y119 HydrophobicContact CG1-CE1 3.53Å; I116-Y119 HydrophobicContact CG2-CE1 3.86Å; I116-Y119 WeakPolarHBondContact CG2-OH 3.47Å; I116-Y119 WeakPolarHBondContact O-CD1 3.41Å; I116-Y119 VanDerWaalsContact O-CG 3.32Å; I116-Y119 PolarHBondContact O-N 3.42Å; T117-Y119 PolarHBondContact O-N 3.49Å; Y119-I121 VanDerWaalsContact C-N 3.32Å; Y119-I121 PolarHBondContact O-N 3.46Å; Y119-R122 CarbonylContact O-C 3.56Å; Y119-R122 WeakPolarHBondContact O-CB 3.3Å; Y119-R122 PolarHBondContact O-N 3.23Å; Y119-R122 VanDerWaalsContact O-N 3.15Å; Y119-M123 HydrophobicContact CD2-CE 4.32Å; Y119-M123 HydrophobicContact CE2-CE 4.42Å; Y119-M123 WeakPolarHBondContact O-CB 3.49Å; Y119-M123 PolarHBondContact O-N 3.47Å
120L94.1Very high94.4Very high15 Ų1591.9 Ų91.98%0.07941%0.414CS..Hα-helixtrans-61.7-44.3176.9-75174.2000110.5E56 I116 T117 R122 M123 R124E56-L120 HydrophobicContact CG-CD1 4.46Å; E56-L120 HydrophobicContact CG-CD2 4.2Å; I116-L120 HydrophobicContact CG2-CD1 4.08Å; I116-L120 HydrophobicContact CG2-CG 4.49Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 2.82Å; T117-L120 PolarHBondContact O-N 2.87Å; L120-R122 VanDerWaalsContact C-N 3.33Å; L120-R122 PolarHBondContact O-N 3.33Å; L120-M123 PolarHBondContact O-N 3Å; L120-R124 WeakPolarHBondContact O-CG 3.32Å; L120-R124 PolarHBondContact O-N 2.98Å
121I94.6Very high93.8Very high83 Ų8395.2 Ų95.243%0.42643%0.431SS..Hα-helixtrans-60.4-45.3173.4-65.7164.9000110.2T117 Y119 M123 R124 K125T117-I121 WeakPolarHBondContact O-CG1 3.48Å; T117-I121 PolarHBondContact O-N 3.26Å; Y119-I121 VanDerWaalsContact C-N 3.32Å; Y119-I121 PolarHBondContact O-N 3.46Å; I121-M123 PolarHBondContact O-N 3.22Å; I121-R124 PolarHBondContact O-N 3.02Å; I121-K125 HydrophobicContact CG2-CD 4.22Å; I121-K125 WeakPolarHBondContact O-CG 3.4Å; I121-K125 PolarHBondContact O-N 2.75Å
122R95.8Very high93.4Very high158 Ų158102.9 Ų102.960%0.59646%0.456SS*.Hα-helixtrans-62.5-41.8178.2-171.7-176.2-62.8156.70.5112.3Q118 Y119 L120 K125 L126Q118-R122 WeakPolarHBondContact O-CB 3.42Å; Q118-R122 PolarHBondContact O-N 3.38Å; Y119-R122 CarbonylContact O-C 3.56Å; Y119-R122 WeakPolarHBondContact O-CB 3.3Å; Y119-R122 PolarHBondContact O-N 3.23Å; Y119-R122 VanDerWaalsContact O-N 3.15Å; L120-R122 VanDerWaalsContact C-N 3.33Å; L120-R122 PolarHBondContact O-N 3.33Å; R122-K125 PolarHBondContact O-N 3Å; R122-L126 HydrophobicContact CG-CD1 4.2Å; R122-L126 HydrophobicContact CG-CG 4.42Å; R122-L126 WeakPolarHBondContact O-CB 3.28Å; R122-L126 WeakPolarHBondContact O-CG 3.45Å; R122-L126 PolarHBondContact O-N 3.22Å
123M93.3Very high93.1Very high98 Ų98109 Ų10948%0.48349%0.485SS..Hα-helixtrans-61.7-47.1178.7-173-172.1-6800110.4Y119 L120 I121 K125 L126 V127Y119-M123 HydrophobicContact CD2-CE 4.32Å; Y119-M123 HydrophobicContact CE2-CE 4.42Å; Y119-M123 WeakPolarHBondContact O-CB 3.49Å; Y119-M123 PolarHBondContact O-N 3.47Å; L120-M123 PolarHBondContact O-N 3Å; I121-M123 PolarHBondContact O-N 3.22Å; M123-K125 VanDerWaalsContact C-N 3.34Å; M123-K125 PolarHBondContact O-N 3.49Å; M123-L126 PolarHBondContact O-N 3Å; M123-L126 VanDerWaalsContact O-N 3.12Å; M123-V127 WeakPolarHBondContact O-CG2 3.23Å; M123-V127 PolarHBondContact O-N 2.83Å
124R92.8Very high92.8Very high154 Ų154117.2 Ų117.258%0.58153%0.528SS*.Hα-helixtrans-58.1-45.4174-66.7172.9-164.6161.64.9111.7L120 I121 L126 V127 L128L120-R124 WeakPolarHBondContact O-CG 3.32Å; L120-R124 PolarHBondContact O-N 2.98Å; I121-R124 PolarHBondContact O-N 3.02Å; R124-L126 VanDerWaalsContact C-N 3.32Å; R124-L126 PolarHBondContact O-N 2.87Å; R124-V127 PolarHBondContact O-N 2.61Å; R124-L128 WeakPolarHBondContact O-CG 3.49Å; R124-L128 PolarHBondContact O-N 2.84Å; R124-L128 VanDerWaalsContact O-N 3.15Å
125K94.3Very high92.6Very high133 Ų133121.1 Ų121.158%0.57855%0.551SS**Hα-helixtrans-62.7-35.9175.9-71.6-178.9-179.5-172.80112.6I121 R122 M123 K129I121-K125 HydrophobicContact CG2-CD 4.22Å; I121-K125 WeakPolarHBondContact O-CG 3.4Å; I121-K125 PolarHBondContact O-N 2.75Å; R122-K125 PolarHBondContact O-N 3Å; M123-K125 VanDerWaalsContact C-N 3.34Å; M123-K125 PolarHBondContact O-N 3.49Å; K125-K129 VanDerWaalsContact O-CG 3.27Å; K125-K129 WeakPolarHBondContact O-CG 3.25Å; K125-K129 PolarHBondContact O-N 2.81Å
126L92.1Very high92.4Very high88 Ų88120.5 Ų120.546%0.46156%0.561SS.*Hα-helixtrans-72.6-39.2177.8-75.8174.1000112.2R122 M123 R124 L128 K129R122-L126 HydrophobicContact CG-CD1 4.2Å; R122-L126 HydrophobicContact CG-CG 4.42Å; R122-L126 WeakPolarHBondContact O-CB 3.28Å; R122-L126 WeakPolarHBondContact O-CG 3.45Å; R122-L126 PolarHBondContact O-N 3.22Å; M123-L126 PolarHBondContact O-N 3Å; M123-L126 VanDerWaalsContact O-N 3.12Å; R124-L126 VanDerWaalsContact C-N 3.32Å; R124-L126 PolarHBondContact O-N 2.87Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 PolarHBondContact O-N 2.82Å; L126-K129 PolarHBondContact O-N 2.81Å; L126-K129 VanDerWaalsContact O-N 3.13Å
127V91.3Very high92.2Very high118 Ų118125.4 Ų125.472%0.71559%0.587SS**Hα-helixtrans-61.9-38.7175.9170.70000111.4M123 R124 K129M123-V127 WeakPolarHBondContact O-CG2 3.23Å; M123-V127 PolarHBondContact O-N 2.83Å; R124-V127 PolarHBondContact O-N 2.61Å; V127-K129 VanDerWaalsContact C-N 3.29Å; V127-K129 PolarHBondContact O-N 2.84Å
128L92.6Very high92.2Very high153 Ų153127 Ų12780%0.80160%0.6SS**Hα-helixtrans-72.6-19.8176.6-66.8172.3000113.4R124 L126R124-L128 WeakPolarHBondContact O-CG 3.49Å; R124-L128 PolarHBondContact O-N 2.84Å; R124-L128 VanDerWaalsContact O-N 3.15Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 PolarHBondContact O-N 2.82Å
129K92.1Very high92.1Very high130 Ų130134 Ų13457%0.56562%0.623SS**SBendtrans-83.2130178.8-76.8175-178.8-166.20110.4K125 L126 V127 Q131K125-K129 VanDerWaalsContact O-CG 3.27Å; K125-K129 WeakPolarHBondContact O-CG 3.25Å; K125-K129 PolarHBondContact O-N 2.81Å; L126-K129 PolarHBondContact O-N 2.81Å; L126-K129 VanDerWaalsContact O-N 3.13Å; V127-K129 VanDerWaalsContact C-N 3.29Å; V127-K129 PolarHBondContact O-N 2.84Å; K129-Q131 PolarHBondContact O-N 3.44Å; K129-Q131 VanDerWaalsContact O-N 3.1Å
130R88.4Confident92.1Very high253 Ų253138.9 Ų138.996%0.95565%0.646SS**  trans-66.7108.7170-171.7175.6-178.3174.80.4109.7
131Q84.2Confident92.1Very high125 Ų125141.1 Ų141.158%0.58466%0.66SS**PPolyproline II helixtrans-98.4144.9174.5-63.3-60-40.600110.6K129K129-Q131 PolarHBondContact O-N 3.44Å; K129-Q131 VanDerWaalsContact O-N 3.1Å
132R88.9Confident92.2Very high244 Ų244141.3 Ų141.392%0.92166%0.659SS**PPolyproline II helixtrans-70.9136167.7-64.2-178.9-179.8173-1.1108.1L134R132-L134 PolarHBondContact O-N 3.49Å
133K89.2Confident92.2Very high196 Ų196136.5 Ų136.585%0.85265%0.65SS**PPolyproline II helixtrans-75.6124175.3-67.1-178.4179.8179.40108.3V135K133-V135 PolarHBondContact O-N 2.89Å
134L90.4Very high92.3Very high175 Ų175140 Ų14092%0.91666%0.658SS**  trans-74.1109.2170-66.5167.8000107.2R132R132-L134 PolarHBondContact O-N 3.49Å
135V92.4Very high92.4Very high111 Ų111137.2 Ų137.267%0.67365%0.651SS**PPolyproline II helixtrans-96.8121.3174.1179.80000107.3K133 L137K133-V135 PolarHBondContact O-N 2.89Å; V135-L137 PolarHBondContact O-N 2.75Å
136P91.6Very high92.5Very high123 Ų123137.3 Ų137.380%0.79965%0.652SS**PPolyproline II helixtrans-72.1122.717429.3-31.7000109.2
137L90.9Very high92.7Very high113 Ų113141.2 Ų141.259%0.59266%0.66SS**PPolyproline II helixtrans-87.9130.3168.9-74.4160.6000108.8V135 E142V135-L137 PolarHBondContact O-N 2.75Å; L137-E142 HydrophobicContact CB-CG 4.1Å; L137-E142 WeakPolarHBondContact CB-OE1 3.44Å
138S95.3Very high93Very high63 Ų63142.1 Ų142.144%0.44166%0.655SS.*PPolyproline II helixtrans-79.5134.2174.8173.70000109.4K140 V141 E142S138-K140 PolarHBondContact O-N 3.37Å; S138-K140 VanDerWaalsContact O-N 3.09Å; S138-K140 PolarHBondContact OG-N 3.22Å; S138-V141 WeakPolarHBondContact O-CA 3.41Å; S138-V141 WeakPolarHBondContact O-CB 3.22Å; S138-V141 PolarHBondContact O-N 3.17Å; S138-E142 PolarHBondContact O-N 2.98Å
139R94.6Very high93.1Very high207 Ų207140.7 Ų140.778%0.78164%0.644SS**Hα-helixtrans-55.1-31176.9-69-175.7177.4179-1.3113.2S143R139-S143 WeakPolarHBondContact O-CB 3.41Å; R139-S143 PolarHBondContact O-N 2.81Å; R139-S143 PolarHBondContact O-OG 3.26Å
140K95.2Very high93.3Very high176 Ų176140 Ų14077%0.76564%0.643SS**Hα-helixtrans-68.2-37.3176.5-68.9-173.3179-176.20111.8S138 R144S138-K140 PolarHBondContact O-N 3.37Å; S138-K140 VanDerWaalsContact O-N 3.09Å; S138-K140 PolarHBondContact OG-N 3.22Å; K140-R144 VanDerWaalsContact O-CB 3.3Å; K140-R144 WeakPolarHBondContact O-CB 3.32Å; K140-R144 PolarHBondContact O-N 2.82Å; K140-R144 VanDerWaalsContact O-N 3.07Å
141V94.8Very high93.6Very high63 Ų63135.4 Ų135.438%0.38263%0.63SS.*Hα-helixtrans-70.1-48.6176.4176.80000109.2S138 S143 R144 E145S138-V141 WeakPolarHBondContact O-CA 3.41Å; S138-V141 WeakPolarHBondContact O-CB 3.22Å; S138-V141 PolarHBondContact O-N 3.17Å; V141-S143 VanDerWaalsContact C-N 3.3Å; V141-S143 PolarHBondContact O-N 2.85Å; V141-R144 WeakPolarHBondContact O-CB 3.44Å; V141-R144 PolarHBondContact O-N 2.86Å; V141-E145 HydrophobicContact CG1-CG 4.23Å; V141-E145 WeakPolarHBondContact O-CB 3.4Å; V141-E145 WeakPolarHBondContact O-CG 3.32Å; V141-E145 PolarHBondContact O-N 2.88Å
142E95.3Very high94.2Very high87 Ų87132.2 Ų132.241%0.40762%0.624SS.*Hα-helixtrans-56.3-43.6176.7-66.7176.7166.300112.2L137 S138 R144 K146L137-E142 HydrophobicContact CB-CG 4.1Å; L137-E142 WeakPolarHBondContact CB-OE1 3.44Å; S138-E142 PolarHBondContact O-N 2.98Å; E142-R144 VanDerWaalsContact C-N 3.35Å; E142-K146 WeakPolarHBondContact O-CB 3.13Å; E142-K146 PolarHBondContact O-N 3.04Å
143S95.7Very high94.4Very high57 Ų57126.4 Ų126.440%0.39961%0.611SS.*Hα-helixtrans-68.1-35.2178.3-57.10000112.4R139 V141 R147R139-S143 WeakPolarHBondContact O-CB 3.41Å; R139-S143 PolarHBondContact O-N 2.81Å; R139-S143 PolarHBondContact O-OG 3.26Å; V141-S143 VanDerWaalsContact C-N 3.3Å; V141-S143 PolarHBondContact O-N 2.85Å; S143-R147 WeakPolarHBondContact O-CG 3.16Å; S143-R147 PolarHBondContact O-N 3.49Å
144R96Very high94.5Very high170 Ų170123 Ų12364%0.64260%0.601SS**Hα-helixtrans-71.1-45177.6-178.8-174.3-69.2-156.6-4.1110.9K140 V141 E142 R147 K148K140-R144 VanDerWaalsContact O-CB 3.3Å; K140-R144 WeakPolarHBondContact O-CB 3.32Å; K140-R144 PolarHBondContact O-N 2.82Å; K140-R144 VanDerWaalsContact O-N 3.07Å; V141-R144 WeakPolarHBondContact O-CB 3.44Å; V141-R144 PolarHBondContact O-N 2.86Å; E142-R144 VanDerWaalsContact C-N 3.35Å; R144-R147 PolarHBondContact O-N 3.04Å; R144-K148 HydrophobicContact CG-CD 4.47Å; R144-K148 WeakPolarHBondContact O-CB 3.31Å; R144-K148 WeakPolarHBondContact O-CG 3.28Å; R144-K148 PolarHBondContact O-N 2.98Å
145E95.8Very high94.6Very high97 Ų97118.6 Ų118.645%0.45359%0.59SS.*Hα-helixtrans-61.6-47.9177-73.6177.4169.500110.3V141 R147 K148 E149V141-E145 HydrophobicContact CG1-CG 4.23Å; V141-E145 WeakPolarHBondContact O-CB 3.4Å; V141-E145 WeakPolarHBondContact O-CG 3.32Å; V141-E145 PolarHBondContact O-N 2.88Å; E145-R147 PolarHBondContact O-N 2.73Å; E145-K148 CarbonylContact O-C 3.43Å; E145-K148 WeakPolarHBondContact O-CA 3.26Å; E145-K148 WeakPolarHBondContact O-CB 3.3Å; E145-K148 PolarHBondContact O-N 3.16Å; E145-E149 WeakPolarHBondContact O-CB 3.32Å; E145-E149 VanDerWaalsContact O-CG 3.31Å; E145-E149 WeakPolarHBondContact O-CG 3.38Å; E145-E149 PolarHBondContact O-N 2.97Å
146K96.6Very high94.4Very high135 Ų135115.8 Ų115.859%0.58758%0.578SS**Hα-helixtrans-54.1-48.4173.7-90.4-172.9170.1-173.10113.7E142 K148 E149 E150E142-K146 WeakPolarHBondContact O-CB 3.13Å; E142-K146 PolarHBondContact O-N 3.04Å; K146-K148 VanDerWaalsContact C-N 3.28Å; K146-K148 PolarHBondContact O-N 3.48Å; K146-E149 WeakPolarHBondContact O-CB 3.45Å; K146-E149 PolarHBondContact O-N 3.4Å; K146-E150 WeakPolarHBondContact O-CG 3.37Å; K146-E150 PolarHBondContact O-N 3.07Å
147R96.1Very high94.3Very high169 Ų169115.8 Ų115.864%0.63857%0.567SS**Hα-helixtrans-64.9-34.4178.2-71.7176.5-169.3165.81.9112.2S143 R144 E145 K151S143-R147 WeakPolarHBondContact O-CG 3.16Å; S143-R147 PolarHBondContact O-N 3.49Å; R144-R147 PolarHBondContact O-N 3.04Å; E145-R147 PolarHBondContact O-N 2.73Å; R147-K151 WeakPolarHBondContact O-CB 3.35Å; R147-K151 VanDerWaalsContact O-CG 3.28Å; R147-K151 WeakPolarHBondContact O-CG 3.31Å; R147-K151 PolarHBondContact O-N 3.23Å; R147-K151 VanDerWaalsContact O-N 3.09Å
148K96.6Very high94.3Very high137 Ų137115.3 Ų115.360%0.59657%0.565SS**Hα-helixtrans-69.3-41174.9-77.3-176.2174.6-165.20111.2R144 E145 K146 K151 A152R144-K148 HydrophobicContact CG-CD 4.47Å; R144-K148 WeakPolarHBondContact O-CB 3.31Å; R144-K148 WeakPolarHBondContact O-CG 3.28Å; R144-K148 PolarHBondContact O-N 2.98Å; E145-K148 CarbonylContact O-C 3.43Å; E145-K148 WeakPolarHBondContact O-CA 3.26Å; E145-K148 WeakPolarHBondContact O-CB 3.3Å; E145-K148 PolarHBondContact O-N 3.16Å; K146-K148 VanDerWaalsContact C-N 3.28Å; K146-K148 PolarHBondContact O-N 3.48Å; K148-K151 PolarHBondContact O-N 3.07Å; K148-A152 VanDerWaalsContact O-CB 3.25Å; K148-A152 WeakPolarHBondContact O-CB 3.27Å; K148-A152 PolarHBondContact O-N 2.76Å
149E95.7Very high94Very high124 Ų124118 Ų11858%0.57958%0.575SS**Hα-helixtrans-62-46.5175.1-72.3170.4179.200111.2E145 K146 K151 A152 L153E145-E149 WeakPolarHBondContact O-CB 3.32Å; E145-E149 VanDerWaalsContact O-CG 3.31Å; E145-E149 WeakPolarHBondContact O-CG 3.38Å; E145-E149 PolarHBondContact O-N 2.97Å; K146-E149 WeakPolarHBondContact O-CB 3.45Å; K146-E149 PolarHBondContact O-N 3.4Å; E149-K151 PolarHBondContact O-N 3.03Å; E149-A152 PolarHBondContact O-N 3.26Å; E149-L153 WeakPolarHBondContact O-CB 3.49Å; E149-L153 PolarHBondContact O-N 3.27Å
150E95.4Very high93.8Very high116 Ų116111.7 Ų111.754%0.54256%0.556SS.*Hα-helixtrans-59.5-46.3175.9-73.5166.5-175.300111.5K146 L153 I154K146-E150 WeakPolarHBondContact O-CG 3.37Å; K146-E150 PolarHBondContact O-N 3.07Å; E150-L153 PolarHBondContact O-N 3.05Å; E150-I154 WeakPolarHBondContact O-CG1 3.31Å; E150-I154 PolarHBondContact O-N 3.06Å; E150-I154 VanDerWaalsContact O-N 3.13Å
151K95.8Very high93.6Very high156 Ų156106 Ų10668%0.67854%0.542SS*.Hα-helixtrans-63.8-40.8175.8-74.6-178.9178-162.80112.4R147 K148 E149 I154 A155R147-K151 WeakPolarHBondContact O-CB 3.35Å; R147-K151 VanDerWaalsContact O-CG 3.28Å; R147-K151 WeakPolarHBondContact O-CG 3.31Å; R147-K151 PolarHBondContact O-N 3.23Å; R147-K151 VanDerWaalsContact O-N 3.09Å; K148-K151 PolarHBondContact O-N 3.07Å; E149-K151 PolarHBondContact O-N 3.03Å; K151-I154 PolarHBondContact O-N 3.48Å; K151-A155 WeakPolarHBondContact O-CB 3.46Å; K151-A155 PolarHBondContact O-N 2.68Å
152A95.6Very high93.4Very high57 Ų57107 Ų10747%0.47154%0.544SS..Hα-helixtrans-66.3-38.5178.200000111.7K148 E149 A155 A156K148-A152 VanDerWaalsContact O-CB 3.25Å; K148-A152 WeakPolarHBondContact O-CB 3.27Å; K148-A152 PolarHBondContact O-N 2.76Å; E149-A152 PolarHBondContact O-N 3.26Å; A152-A155 PolarHBondContact O-N 2.95Å; A152-A156 WeakPolarHBondContact O-CB 3.28Å; A152-A156 PolarHBondContact O-N 2.8Å
153L92.8Very high93Very high122 Ų122108.5 Ų108.564%0.63955%0.551SS**Hα-helixtrans-61.6-47.2175.6-169.8165.4000110.7E149 E150 A156E149-L153 WeakPolarHBondContact O-CB 3.49Å; E149-L153 PolarHBondContact O-N 3.27Å; E150-L153 PolarHBondContact O-N 3.05Å; L153-A156 PolarHBondContact O-N 3.12Å
154I91.1Very high92.6Very high126 Ų126110.8 Ų110.865%0.64655%0.554SS**Hα-helixtrans-62.7-44.5178.1-64.7165.9000110.7E150 K151 Q157E150-I154 WeakPolarHBondContact O-CG1 3.31Å; E150-I154 PolarHBondContact O-N 3.06Å; E150-I154 VanDerWaalsContact O-N 3.13Å; K151-I154 PolarHBondContact O-N 3.48Å; I154-Q157 WeakPolarHBondContact O-CG 3.12Å
155A92.8Very high92.3Very high82 Ų82106.8 Ų106.868%0.67854%0.542SS*.Hα-helixtrans-68.7-34.9-179.100000113.4K151 A152 Q157K151-A155 WeakPolarHBondContact O-CB 3.46Å; K151-A155 PolarHBondContact O-N 2.68Å; A152-A155 PolarHBondContact O-N 2.95Å; A155-Q157 VanDerWaalsContact C-N 3.26Å; A155-Q157 PolarHBondContact O-N 3.34Å
156A88.6Confident91.8Very high52 Ų52105.8 Ų105.843%0.4354%0.54SS..Hα-helixtrans-73.2-13.7-175.700000114.2A152 L153 L158A152-A156 WeakPolarHBondContact O-CB 3.28Å; A152-A156 PolarHBondContact O-N 2.8Å; L153-A156 PolarHBondContact O-N 3.12Å; A156-L158 VanDerWaalsContact C-N 3.26Å; A156-L158 HydrophobicContact CB-CD2 4.11Å; A156-L158 HydrophobicContact CB-CG 4.22Å; A156-L158 PolarHBondContact O-N 3.42Å
157Q89.7Confident91.3Very high122 Ų122101.3 Ų101.357%0.5752%0.522SS*.  trans31.758.4179.8-66.4-170.3-7.200113.4I154 A155 D159 N160 A161I154-Q157 WeakPolarHBondContact O-CG 3.12Å; A155-Q157 VanDerWaalsContact C-N 3.26Å; A155-Q157 PolarHBondContact O-N 3.34Å; Q157-D159 PolarHBondContact O-N 2.98Å; Q157-D159 VanDerWaalsContact O-N 3.11Å; Q157-N160 HydrophobicContact CB-CB 4.48Å; Q157-N160 PolarHBondContact O-N 3.29Å; Q157-N160 VanDerWaalsContact O-N 3.13Å; Q157-N160 PolarHBondContact OE1-ND2 2.85Å; Q157-A161 PolarHBondContact O-N 3.42Å
158L90.1Very high90.8Very high103 Ų10398.6 Ų98.654%0.53952%0.517SS..Hα-helixtrans-58.5-33.3-166.7-68.2172.7000113A156 A161 I162A156-L158 VanDerWaalsContact C-N 3.26Å; A156-L158 HydrophobicContact CB-CD2 4.11Å; A156-L158 HydrophobicContact CB-CG 4.22Å; A156-L158 PolarHBondContact O-N 3.42Å; L158-A161 PolarHBondContact O-N 3.01Å; L158-I162 HydrophobicContact CB-CD1 4.46Å; L158-I162 WeakPolarHBondContact O-CB 3.34Å; L158-I162 WeakPolarHBondContact O-CD1 3.35Å; L158-I162 WeakPolarHBondContact O-CG1 3.24Å; L158-I162 PolarHBondContact O-N 3.39Å
159D89.8Confident90.2Very high121 Ų12196.3 Ų96.365%0.64750%0.504SS*.Hα-helixtrans-62.4-45.3-179.8-60.9-32.8000111.5Q157 A161 I162 E163Q157-D159 PolarHBondContact O-N 2.98Å; Q157-D159 VanDerWaalsContact O-N 3.11Å; D159-A161 PolarHBondContact O-N 3.13Å; D159-I162 PolarHBondContact O-N 3.34Å; D159-E163 WeakPolarHBondContact O-CG 3.29Å; D159-E163 PolarHBondContact O-N 3.39Å
160N89.8Confident89.4Confident73 Ų7393 Ų9339%0.3949%0.49SS..Hα-helixtrans-65.8-39.4178.7-63.9-12.2000111.7Q157 E163 K164Q157-N160 HydrophobicContact CB-CB 4.48Å; Q157-N160 PolarHBondContact O-N 3.29Å; Q157-N160 VanDerWaalsContact O-N 3.13Å; Q157-N160 PolarHBondContact OE1-ND2 2.85Å; N160-E163 PolarHBondContact O-N 2.78Å; N160-K164 WeakPolarHBondContact O-CB 3.41Å; N160-K164 WeakPolarHBondContact O-CG 3.04Å; N160-K164 PolarHBondContact O-N 2.78Å
161A91.6Very high88.6Confident56 Ų5692.7 Ų92.746%0.46349%0.487SS..Hα-helixtrans-66-38.9175.600000111.8Q157 L158 D159 E165Q157-A161 PolarHBondContact O-N 3.42Å; L158-A161 PolarHBondContact O-N 3.01Å; D159-A161 PolarHBondContact O-N 3.13Å; A161-E165 PolarHBondContact O-N 3.42Å
162I90.7Very high87.9Confident84 Ų8491.5 Ų91.543%0.43148%0.484SS..Hα-helixtrans-68-43.4176.3-69.6163.2000110.7L158 D159 E165 L166L158-I162 HydrophobicContact CB-CD1 4.46Å; L158-I162 WeakPolarHBondContact O-CB 3.34Å; L158-I162 WeakPolarHBondContact O-CD1 3.35Å; L158-I162 WeakPolarHBondContact O-CG1 3.24Å; L158-I162 PolarHBondContact O-N 3.39Å; D159-I162 PolarHBondContact O-N 3.34Å; I162-E165 PolarHBondContact O-N 3.19Å; I162-L166 HydrophobicContact CG2-CD1 3.76Å; I162-L166 HydrophobicContact CG2-CG 4.15Å; I162-L166 WeakPolarHBondContact O-CB 3.23Å; I162-L166 VanDerWaalsContact O-CG 3.26Å; I162-L166 WeakPolarHBondContact O-CG 3.29Å; I162-L166 PolarHBondContact O-N 3.07Å
163E87.1Confident87Confident119 Ų11991.2 Ų91.256%0.55649%0.486SS*.Hα-helixtrans-60.4-46.3177.2-75.8179.2-176.600111.6D159 N160 E165 L166 L167D159-E163 WeakPolarHBondContact O-CG 3.29Å; D159-E163 PolarHBondContact O-N 3.39Å; N160-E163 PolarHBondContact O-N 2.78Å; E163-E165 PolarHBondContact O-N 2.88Å; E163-L166 PolarHBondContact O-N 3.36Å; E163-L167 WeakPolarHBondContact O-CB 3.47Å; E163-L167 WeakPolarHBondContact O-CG 3.32Å; E163-L167 PolarHBondContact O-N 2.9Å
164K87.3Confident86Confident106 Ų10689.3 Ų89.346%0.46148%0.48SS..Hα-helixtrans-59.5-45175.2-72.3179-178.6-173.80111.5N160 L167 E168N160-K164 WeakPolarHBondContact O-CB 3.41Å; N160-K164 WeakPolarHBondContact O-CG 3.04Å; N160-K164 PolarHBondContact O-N 2.78Å; K164-L167 PolarHBondContact O-N 2.86Å; K164-E168 WeakPolarHBondContact O-CB 3.4Å; K164-E168 PolarHBondContact O-N 3.38Å
165E89.6Confident85Confident85 Ų8589 Ų8940%0.39747%0.471SS..Hα-helixtrans-65.5-40.5177.5-164.9-164.5-155.200112.5A161 I162 E163 E168 R169A161-E165 PolarHBondContact O-N 3.42Å; I162-E165 PolarHBondContact O-N 3.19Å; E163-E165 PolarHBondContact O-N 2.88Å; E165-E168 PolarHBondContact O-N 2.85Å; E165-R169 WeakPolarHBondContact O-CB 3.41Å; E165-R169 WeakPolarHBondContact O-CG 3.19Å; E165-R169 PolarHBondContact O-N 2.97Å; E165-R169 IonicContact OE1-CZ 3.2Å; E165-R169 IonicContact OE1-NE 3.81Å; E165-R169 IonicContact OE1-NH1 3.72Å; E165-R169 IonicContact OE1-NH2 2.62Å; E165-R169 PolarHBondContact OE1-NH2 2.92Å; E165-R169 IonicContact OE2-CZ 3.16Å; E165-R169 IonicContact OE2-NH1 2.83Å; E165-R169 PolarHBondContact OE2-NH1 2.9Å; E165-R169 IonicContact OE2-NH2 3.1Å; E165-R169 PolarHBondContact OE2-NH2 3.42Å; E165-R169 VanDerWaalsContact OE2-NH2 3.1Å
166L85.9Confident83.8Confident77 Ų7787.6 Ų87.640%0.40347%0.465SS..Hα-helixtrans-66.5-41.4178.2-73.5175.2000111.7I162 E163 E168 L170I162-L166 HydrophobicContact CG2-CD1 3.76Å; I162-L166 HydrophobicContact CG2-CG 4.15Å; I162-L166 WeakPolarHBondContact O-CB 3.23Å; I162-L166 VanDerWaalsContact O-CG 3.26Å; I162-L166 WeakPolarHBondContact O-CG 3.29Å; I162-L166 PolarHBondContact O-N 3.07Å; E163-L166 PolarHBondContact O-N 3.36Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.47Å; L166-L170 PolarHBondContact O-N 3.23Å
167L85.3Confident82.6Confident41 Ų4193.5 Ų93.522%0.21549%0.49CS..Hα-helixtrans-62.8-42.7173.4-73.8172.4000111.1E163 K164 L170 K171E163-L167 WeakPolarHBondContact O-CB 3.47Å; E163-L167 WeakPolarHBondContact O-CG 3.32Å; E163-L167 PolarHBondContact O-N 2.9Å; K164-L167 PolarHBondContact O-N 2.86Å; L167-L170 PolarHBondContact O-N 3.23Å; L167-K171 WeakPolarHBondContact O-CG 3.22Å; L167-K171 PolarHBondContact O-N 3.01Å
168E85.8Confident81Confident112 Ų11295.2 Ų95.252%0.52350%0.501SS..Hα-helixtrans-67.3-40.9179.7-157.8174.4-162.300112.3K164 E165 L166 L170 K171 Q172K164-E168 WeakPolarHBondContact O-CB 3.4Å; K164-E168 PolarHBondContact O-N 3.38Å; E165-E168 PolarHBondContact O-N 2.85Å; L166-E168 VanDerWaalsContact C-N 3.34Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 2.97Å; E168-K171 PolarHBondContact O-N 3.28Å; E168-Q172 WeakPolarHBondContact O-CB 3.21Å; E168-Q172 VanDerWaalsContact O-CG 3.23Å; E168-Q172 WeakPolarHBondContact O-CG 2.82Å; E168-Q172 PolarHBondContact O-N 3.08Å
169R84.7Confident79.7Confident88 Ų8897.5 Ų97.533%0.33250%0.504SS..Hα-helixtrans-61.7-40.7171.2-77.6-178.3-179.7141.6-0.2112.4E165 Q172 G173 T174 Y175E165-R169 WeakPolarHBondContact O-CB 3.41Å; E165-R169 WeakPolarHBondContact O-CG 3.19Å; E165-R169 PolarHBondContact O-N 2.97Å; E165-R169 IonicContact OE1-CZ 3.2Å; E165-R169 IonicContact OE1-NE 3.81Å; E165-R169 IonicContact OE1-NH1 3.72Å; E165-R169 IonicContact OE1-NH2 2.62Å; E165-R169 PolarHBondContact OE1-NH2 2.92Å; E165-R169 IonicContact OE2-CZ 3.16Å; E165-R169 IonicContact OE2-NH1 2.83Å; E165-R169 PolarHBondContact OE2-NH1 2.9Å; E165-R169 IonicContact OE2-NH2 3.1Å; E165-R169 PolarHBondContact OE2-NH2 3.42Å; E165-R169 VanDerWaalsContact OE2-NH2 3.1Å; R169-Q172 PolarHBondContact O-N 3.14Å; R169-G173 PolarHBondContact O-N 3.12Å; R169-T174 PolarHBondContact O-N 3.19Å; R169-T174 PolarHBondContact O-OG1 2.97Å; R169-Y175 HydrophobicContact CB-CE2 4.01Å
170L78.9Confident78.3Confident55 Ų5599.5 Ų99.529%0.28851%0.514SS..Hα-helixtrans-65.1-43.3176.1-169158.2000110.7L166 L167 E168 Q172 G173 F181 F186L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.47Å; L166-L170 PolarHBondContact O-N 3.23Å; L167-L170 PolarHBondContact O-N 3.23Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 2.97Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 3.44Å; L170-G173 PolarHBondContact O-N 3.42Å; L170-F181 HydrophobicContact CD1-CE2 4.39Å; L170-F186 HydrophobicContact CD2-CD2 4.37Å; L170-F186 HydrophobicContact CD2-CE2 3.4Å; L170-F186 VanDerWaalsContact CD2-CE2 3.4Å; L170-F186 HydrophobicContact CD2-CZ 3.9Å
171K77.9Confident77.2Confident110 Ų110101.1 Ų101.148%0.47852%0.518SS..Hα-helixtrans-60-37172.2-72.5177.7-171-175.20112.5L167 E168 G173L167-K171 WeakPolarHBondContact O-CG 3.22Å; L167-K171 PolarHBondContact O-N 3.01Å; E168-K171 PolarHBondContact O-N 3.28Å; K171-G173 PolarHBondContact O-N 3.34Å
172Q81.1Confident76.4Confident131 Ų131101.5 Ų101.561%0.61252%0.516SS*.THydrogen-bonded Turntrans-73.2-5175.6-70.517015.200113.4E168 R169 L170 T174E168-Q172 WeakPolarHBondContact O-CB 3.21Å; E168-Q172 VanDerWaalsContact O-CG 3.23Å; E168-Q172 WeakPolarHBondContact O-CG 2.82Å; E168-Q172 PolarHBondContact O-N 3.08Å; R169-Q172 PolarHBondContact O-N 3.14Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 3.44Å; Q172-T174 VanDerWaalsContact C-N 3.32Å; Q172-T174 HydrophobicContact CB-CG2 4.22Å; Q172-T174 PolarHBondContact O-N 3.28Å
173G75.6Confident75.2Confident50 Ų50102.3 Ų102.352%0.51552%0.524SS..THydrogen-bonded Turntrans71.124176.200000113.9R169 L170 K171 Y175R169-G173 PolarHBondContact O-N 3.12Å; L170-G173 PolarHBondContact O-N 3.42Å; K171-G173 PolarHBondContact O-N 3.34Å; G173-Y175 PolarHBondContact O-N 2.82Å
174T73.4Confident74.2Confident83 Ų83105.1 Ų105.151%0.50953%0.531SS..  trans-67.7-21.9-178.5580000113.1R169 Q172R169-T174 PolarHBondContact O-N 3.19Å; R169-T174 PolarHBondContact O-OG1 2.97Å; Q172-T174 VanDerWaalsContact C-N 3.32Å; Q172-T174 HydrophobicContact CB-CG2 4.22Å; Q172-T174 PolarHBondContact O-N 3.28Å
175Y68.9Low73.3Confident118 Ų118102.4 Ų102.446%0.46353%0.528SS..SBendtrans-104114.4174-55.4-78.8000107.7R169 G173R169-Y175 HydrophobicContact CB-CE2 4.01Å; G173-Y175 PolarHBondContact O-N 2.82Å
176G68.6Low72.2Confident53 Ų53101.7 Ų101.755%0.54652%0.524SS..  trans-63.7178.3-175.100000115.1I178G176-I178 PolarHBondContact O-N 2.68Å
177D62.1Low71.3Confident177 Ų177101.5 Ų101.595%0.94752%0.524SS*.THydrogen-bonded Turntrans-62.211.8-171.5-82.2-13.6000117.8Y179D177-Y179 PolarHBondContact O-N 3.32Å
178I58Low70.6Confident157 Ų157107.9 Ų107.981%0.80555%0.545SS*.THydrogen-bonded Turntrans-88.2-6.2-168-56.9174.3000112.4G176G176-I178 PolarHBondContact O-N 2.68Å
179Y61.1Low69.7Low151 Ų151104.4 Ų104.459%0.59254%0.535SS*.  trans-101.9111.1-174.6-67.1-81.1000112.5D177 F181D177-Y179 PolarHBondContact O-N 3.32Å; Y179-F181 VanDerWaalsContact C-N 3.26Å; Y179-F181 HydrophobicContact CD1-CZ 4.37Å; Y179-F181 AromaticContact CG-CE2 3.97Å; Y179-F181 HydrophobicContact CG-CE2 3.97Å; Y179-F181 AromaticContact CG-CZ 3.98Å; Y179-F181 HydrophobicContact CG-CZ 3.98Å; Y179-F181 WeakPolarHBondContact O-CD2 3.31Å; Y179-F181 PolarHBondContact O-N 3.17Å
180N62.1Low68.9Low163 Ų163102.1 Ų102.187%0.87253%0.529SS*.  trans-76.475.8170.4-175.347.2000110
181F65.9Low68.3Low107 Ų107105.9 Ų105.947%0.46955%0.546SS..  trans-71.8137.8171.7-65-73.9000109.7L170 Y179 V183L170-F181 HydrophobicContact CD1-CE2 4.39Å; Y179-F181 VanDerWaalsContact C-N 3.26Å; Y179-F181 HydrophobicContact CD1-CZ 4.37Å; Y179-F181 AromaticContact CG-CE2 3.97Å; Y179-F181 HydrophobicContact CG-CE2 3.97Å; Y179-F181 AromaticContact CG-CZ 3.98Å; Y179-F181 HydrophobicContact CG-CZ 3.98Å; Y179-F181 WeakPolarHBondContact O-CD2 3.31Å; Y179-F181 PolarHBondContact O-N 3.17Å; F181-V183 PolarHBondContact O-N 3.5Å; F181-V183 VanDerWaalsContact O-N 3.07Å
182P75.1Confident68Low64 Ų64105.7 Ų105.742%0.41655%0.547SS..  trans-60.9114.9170-14.726.8000109.4Y184 A185 F186P182-Y184 HydrophobicContact CB-CD1 3.75Å; P182-Y184 HydrophobicContact CB-CE1 3.25Å; P182-Y184 HydrophobicContact CB-CE2 4.45Å; P182-Y184 HydrophobicContact CG-CE1 4.36Å; P182-Y184 PolarHBondContact O-N 2.7Å; P182-Y184 VanDerWaalsContact O-N 3.12Å; P182-A185 HydrophobicContact CB-CB 4.38Å; P182-A185 WeakPolarHBondContact O-CB 3.44Å; P182-A185 PolarHBondContact O-N 3.02Å; P182-F186 PolarHBondContact O-N 3.06Å
183V64.9Low67.2Low101 Ų101101.4 Ų101.461%0.61253%0.527SS*.Hα-helixtrans-51.7-39.2-174.1-178.30000112.1F181 A185 F186 D187F181-V183 PolarHBondContact O-N 3.5Å; F181-V183 VanDerWaalsContact O-N 3.07Å; V183-A185 VanDerWaalsContact C-N 3.3Å; V183-A185 PolarHBondContact O-N 2.9Å; V183-F186 PolarHBondContact O-N 2.75Å; V183-D187 WeakPolarHBondContact CG1-OD2 3.48Å; V183-D187 PolarHBondContact O-N 3.05Å
184Y66.6Low66.6Low178 Ų178104.6 Ų104.670%0.69853%0.528SS*.Hα-helixtrans-65.3-27.817970.2-96.6000114.5P182 R188P182-Y184 HydrophobicContact CB-CD1 3.75Å; P182-Y184 HydrophobicContact CB-CE1 3.25Å; P182-Y184 HydrophobicContact CB-CE2 4.45Å; P182-Y184 HydrophobicContact CG-CE1 4.36Å; P182-Y184 PolarHBondContact O-N 2.7Å; P182-Y184 VanDerWaalsContact O-N 3.12Å; Y184-R188 VanDerWaalsContact O-CB 3.24Å; Y184-R188 WeakPolarHBondContact O-CB 3.26Å; Y184-R188 PolarHBondContact O-N 3.26Å
185A67.6Low66Low49 Ų49103.3 Ų103.341%0.40553%0.526SS..Hα-helixtrans-82.2-26.417900000111P182 V183 A189P182-A185 HydrophobicContact CB-CB 4.38Å; P182-A185 WeakPolarHBondContact O-CB 3.44Å; P182-A185 PolarHBondContact O-N 3.02Å; V183-A185 VanDerWaalsContact C-N 3.3Å; V183-A185 PolarHBondContact O-N 2.9Å; A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.11Å
186F66.3Low65.5Low70 Ų70103 Ų10331%0.30753%0.529SS..Hα-helixtrans-76.6-52.4176.9-178.3-107.2000111.6L170 P182 V183 R188 A189 L190L170-F186 HydrophobicContact CD2-CD2 4.37Å; L170-F186 HydrophobicContact CD2-CE2 3.4Å; L170-F186 VanDerWaalsContact CD2-CE2 3.4Å; L170-F186 HydrophobicContact CD2-CZ 3.9Å; P182-F186 PolarHBondContact O-N 3.06Å; V183-F186 PolarHBondContact O-N 2.75Å; F186-R188 VanDerWaalsContact C-N 3.29Å; F186-R188 PolarHBondContact O-N 3.34Å; F186-A189 PolarHBondContact O-N 3.45Å; F186-A189 VanDerWaalsContact O-N 3.11Å; F186-L190 HydrophobicContact CD1-CD1 4.02Å; F186-L190 HydrophobicContact CE1-CD1 3.37Å; F186-L190 HydrophobicContact CE2-CD1 4.28Å; F186-L190 HydrophobicContact CZ-CD1 3.53Å; F186-L190 PolarHBondContact O-N 2.98Å
187D66.8Low64.9Low74 Ų74104.1 Ų104.140%0.39653%0.528SS..Hα-helixtrans-61.9-39-179.7-66.2-19.5000111.2V183 A189 L190 E191V183-D187 WeakPolarHBondContact CG1-OD2 3.48Å; V183-D187 PolarHBondContact O-N 3.05Å; D187-A189 PolarHBondContact O-N 2.87Å; D187-L190 WeakPolarHBondContact O-CB 3.22Å; D187-L190 PolarHBondContact O-N 3.01Å; D187-E191 WeakPolarHBondContact O-CG 3.41Å; D187-E191 PolarHBondContact O-N 3.37Å
188R71.6Confident64.3Low174 Ų174102.9 Ų102.966%0.65752%0.516SS*.Hα-helixtrans-64.5-36.5175.4-173.6178.3179.7-179.11.4113.3Y184 F186 L190 Q192Y184-R188 VanDerWaalsContact O-CB 3.24Å; Y184-R188 WeakPolarHBondContact O-CB 3.26Å; Y184-R188 PolarHBondContact O-N 3.26Å; F186-R188 VanDerWaalsContact C-N 3.29Å; F186-R188 PolarHBondContact O-N 3.34Å; R188-L190 VanDerWaalsContact C-N 3.34Å; R188-Q192 WeakPolarHBondContact O-CB 3.2Å; R188-Q192 PolarHBondContact O-N 3.22Å; R188-Q192 VanDerWaalsContact O-N 3.11Å
189A67.2Low63.7Low39 Ų3998.8 Ų98.832%0.32250%0.502SS..Hα-helixtrans-73.1-29.8176.400000111.8A185 F186 D187 Q193A185-A189 WeakPolarHBondContact O-CB 3.34Å; A185-A189 PolarHBondContact O-N 3.11Å; F186-A189 PolarHBondContact O-N 3.45Å; F186-A189 VanDerWaalsContact O-N 3.11Å; D187-A189 PolarHBondContact O-N 2.87Å; A189-Q193 WeakPolarHBondContact O-CB 3.26Å; A189-Q193 PolarHBondContact O-N 3.35Å; A189-Q193 VanDerWaalsContact O-N 3.09Å
190L66.4Low62.9Low40 Ų4097.3 Ų97.321%0.20950%0.504CS..Hα-helixtrans-70.5-50.1174-109.2160.4000112.1F186 D187 R188 Q192 Q193 E194F186-L190 HydrophobicContact CD1-CD1 4.02Å; F186-L190 HydrophobicContact CE1-CD1 3.37Å; F186-L190 HydrophobicContact CE2-CD1 4.28Å; F186-L190 HydrophobicContact CZ-CD1 3.53Å; F186-L190 PolarHBondContact O-N 2.98Å; D187-L190 WeakPolarHBondContact O-CB 3.22Å; D187-L190 PolarHBondContact O-N 3.01Å; R188-L190 VanDerWaalsContact C-N 3.34Å; L190-Q192 VanDerWaalsContact C-N 3.26Å; L190-Q192 PolarHBondContact O-N 3.05Å; L190-Q193 PolarHBondContact O-N 3.38Å; L190-E194 PolarHBondContact O-N 2.95Å
191E67.8Low61.8Low134 Ų13493.3 Ų93.363%0.62649%0.489SS*.Hα-helixtrans-60.1-38.3176.2-73.5174.1174.800111.5D187 A195D187-E191 WeakPolarHBondContact O-CG 3.41Å; D187-E191 PolarHBondContact O-N 3.37Å; E191-A195 VanDerWaalsContact O-CB 3.3Å; E191-A195 WeakPolarHBondContact O-CB 3.47Å; E191-A195 PolarHBondContact O-N 3.37Å
192Q70.2Confident60.6Low107 Ų10795.7 Ų95.750%0.550%0.502SS..Hα-helixtrans-73.1-32.2179-167.8144.2200112.7R188 L190 E196R188-Q192 WeakPolarHBondContact O-CB 3.2Å; R188-Q192 PolarHBondContact O-N 3.22Å; R188-Q192 VanDerWaalsContact O-N 3.11Å; L190-Q192 VanDerWaalsContact C-N 3.26Å; L190-Q192 PolarHBondContact O-N 3.05Å; Q192-E196 WeakPolarHBondContact O-CB 3.34Å; Q192-E196 WeakPolarHBondContact O-CG 3.47Å; Q192-E196 PolarHBondContact O-N 3.09Å
193Q65.5Low58.8Low41 Ų4198.2 Ų98.219%0.19252%0.515CS..Hα-helixtrans-70.7-40172.8-171.6-178.424.200112.1A189 L190 S197A189-Q193 WeakPolarHBondContact O-CB 3.26Å; A189-Q193 PolarHBondContact O-N 3.35Å; A189-Q193 VanDerWaalsContact O-N 3.09Å; L190-Q193 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-N 2.79Å; Q193-S197 VanDerWaalsContact O-N 3.09Å; Q193-S197 PolarHBondContact O-OG 2.94Å
194E62.8Low57.4Low117 Ų117102 Ų10255%0.54753%0.527SS..Hα-helixtrans-66.6-41.9176.2-75.6178.4175.900111.4L190 S197 E198L190-E194 PolarHBondContact O-N 2.95Å; E194-S197 WeakPolarHBondContact CA-OG 3.49Å; E194-S197 PolarHBondContact O-N 3.3Å; E194-S197 PolarHBondContact O-OG 3.44Å; E194-E198 PolarHBondContact O-N 3.49Å
195A59.9Low55.9Low56 Ų56101.7 Ų101.746%0.46353%0.531SS..Hα-helixtrans-65.1-38175.200000113.4E191 S197 S199E191-A195 VanDerWaalsContact O-CB 3.3Å; E191-A195 WeakPolarHBondContact O-CB 3.47Å; E191-A195 PolarHBondContact O-N 3.37Å; A195-S197 VanDerWaalsContact C-N 3.34Å; A195-S199 PolarHBondContact O-N 2.92Å; A195-S199 VanDerWaalsContact O-N 3.15Å
196E59.1Low54.3Low112 Ų112107.9 Ų107.952%0.52355%0.552SS.*Hα-helixtrans-68.9-31.3173.9-81.6-179179.500112.5Q192 D200Q192-E196 WeakPolarHBondContact O-CB 3.34Å; Q192-E196 WeakPolarHBondContact O-CG 3.47Å; Q192-E196 PolarHBondContact O-N 3.09Å; E196-D200 PolarHBondContact O-N 3.43Å
197S55.3Low52.7Low75 Ų75113.8 Ų113.852%0.52458%0.58SS.*Hα-helixtrans-75.2-30175.6580000114.3Q193 E194 A195Q193-S197 PolarHBondContact O-N 2.79Å; Q193-S197 VanDerWaalsContact O-N 3.09Å; Q193-S197 PolarHBondContact O-OG 2.94Å; E194-S197 WeakPolarHBondContact CA-OG 3.49Å; E194-S197 PolarHBondContact O-N 3.3Å; E194-S197 PolarHBondContact O-OG 3.44Å; A195-S197 VanDerWaalsContact C-N 3.34Å
198E50.9Low50.9Low151 Ų151117.1 Ų117.171%0.70660%0.598SS**Hα-helixtrans-72.1-36.3170.4-82.7-169.7153.600111.6E194 S201 E202E194-E198 PolarHBondContact O-N 3.49Å; E198-S201 PolarHBondContact O-N 3.18Å; E198-E202 PolarHBondContact O-N 3.01Å
199S45.6Very low49Very low72 Ų72115.6 Ų115.650%0.50360%0.603SS.*Hα-helixtrans-70.9-29.6178.2177.80000114.4A195 S201A195-S199 PolarHBondContact O-N 2.92Å; A195-S199 VanDerWaalsContact O-N 3.15Å; S199-S201 VanDerWaalsContact C-N 3.33Å
200D42.8Very low47.3Very low120 Ų120123.1 Ų123.164%0.64263%0.632SS**Hα-helixtrans-77.8-22177.3-154.933.7000111.5E196E196-D200 PolarHBondContact O-N 3.43Å
201S40.6Very low45.6Very low78 Ų78128.9 Ų128.955%0.54566%0.662SS.*Hα-helixtrans-83.3-19176.7-163.90000113.8E198 S199E198-S201 PolarHBondContact O-N 3.18Å; S199-S201 VanDerWaalsContact C-N 3.33Å
202E39Very low44.1Very low158 Ų158129.3 Ų129.374%0.73867%0.674SS**SBendtrans-87.4-11.5176.6-80.6-174.2156.300113.5E198E198-E202 PolarHBondContact O-N 3.01Å
203V37.8Very low42.3Very low116 Ų116127 Ų12770%0.70368%0.679SS**SBendtrans-95.5-15.9-178.9-176.80000112.9
204E35.2Very low41.3Very low182 Ų182134.5 Ų134.585%0.8571%0.714SS**SBendtrans-84.9-6.7174.2-81.9-164.1155.600114.4
205E35.4Very low40.1Very low171 Ų171134.5 Ų134.580%0.79973%0.727SS**SBendtrans-101.92.9-175.8-72.8-166163.200115.8
206E35.2Very low39Very low179 Ų179140.3 Ų140.384%0.83675%0.745SS**SBendtrans-122.730-177.6-79.1-160.8164.500116.4
207E31.6Very low37.9Very low194 Ų194145.1 Ų145.191%0.90776%0.764SS**  trans-136.569.5160.9-77.1-168164.400111.3
208D29.5Very low37Very low144 Ų144147 Ų14777%0.7777%0.772SS**  trans-139131.6151.5-148.27.7000111.8
209D31.4Very low36.6Very low141 Ų141144.4 Ų144.475%0.75478%0.777SS**  trans74.796.6166.4-75.6-35.6000122.3
210E31.1Very low36.3Very low198 Ų198148.8 Ų148.893%0.92579%0.789SS**  -178.897.4109.9-99.2-176.9175.300111.8
211D31.1Very low36.3Very low160 Ų160150.7 Ų150.786%0.85680%0.8SS**  -162.2121.7128.7-162.321000112.2G213D211-G213 PolarHBondContact O-N 2.87Å
212V35.2Very low36.5Very low143 Ų143154.5 Ų154.587%0.86781%0.809SS**  trans-88.898.9-178.3176.40000108.2
213G33.6Very low36.6Very low60 Ų60152.7 Ų152.762%0.61981%0.808SS**  trans-123.682174.100000112.1D211 S215D211-G213 PolarHBondContact O-N 2.87Å; G213-S215 PolarHBondContact O-N 2.77Å; G213-S215 VanDerWaalsContact O-N 3.1Å
214Q44.1Very low36.6Very low198 Ų198154 Ų15493%0.92581%0.811SS**  trans-47.2111.8173.8-171174.810.900111.5
215S38Very low37.2Very low116 Ų116153 Ų15381%0.81181%0.807SS**  trans-131.3120.1166.1500000110.8G213G213-S215 PolarHBondContact O-N 2.77Å; G213-S215 VanDerWaalsContact O-N 3.1Å
216E35.9Very low37.8Very low179 Ų179149.2 Ų149.284%0.83680%0.799SS**  trans-75.1139.3-173.4-169.7173-166.600110.5V218E216-V218 PolarHBondContact O-N 2.71Å
217F37.1Very low38.1Very low212 Ų212147.5 Ų147.593%0.9380%0.796SS**  trans-67.1111.7171.7-112.2-100.2000109.3
218V35.3Very low38.8Very low114 Ų114145.2 Ų145.269%0.69179%0.789SS**  trans-103.3110.5162.1-178.10000107.4E216 E220E216-V218 PolarHBondContact O-N 2.71Å; V218-E220 PolarHBondContact O-N 2.89Å
219A43.4Very low39.7Very low97 Ų97143.4 Ų143.480%0.80279%0.787SS**  trans-69.4113.9160.700000107.7
220E39.1Very low40.3Very low164 Ų164143.5 Ų143.577%0.76679%0.788SS**  trans-120.490.2164.9-159165.6-142.300107.4V218 E222V218-E220 PolarHBondContact O-N 2.89Å; E220-E222 WeakPolarHBondContact CG-O 3.37Å
221D41.8Very low41Very low161 Ų161143.2 Ų143.286%0.86178%0.784SS**  trans-55.3138.6138.7-121.6-21.4000106.6
222E45.5Very low41.8Very low157 Ų157144.2 Ų144.273%0.73478%0.783SS**  trans71.9111.4166.7-134.3166.6-166.600113E220E220-E222 WeakPolarHBondContact CG-O 3.37Å
223V42.1Very low42.4Very low120 Ų120144 Ų14473%0.72778%0.777SS**  cis171.1138.144.1-116.60000106.4
224D37.3Very low43Very low143 Ų143149.9 Ų149.977%0.76579%0.791SS**  -157.7128.3123.9-158.19.6000111.3S226D224-S226 VanDerWaalsContact C-N 3.29Å; D224-S226 PolarHBondContact O-N 3.44Å; D224-S226 VanDerWaalsContact O-N 3.09Å
225E48.5Very low43.2Very low163 Ų163148 Ų14876%0.76279%0.787SS**  trans-82.353.7-171.1-65.5178.1117.100111.9
226S47.6Very low43.6Very low90 Ų90151.1 Ų151.163%0.62979%0.786SS**  trans-111.219.4-170.682.10000116.6D224D224-S226 VanDerWaalsContact C-N 3.29Å; D224-S226 PolarHBondContact O-N 3.44Å; D224-S226 VanDerWaalsContact O-N 3.09Å
227D41.1Very low43.9Very low144 Ų144150.6 Ų150.677%0.7779%0.788SS**SBendtrans-125.221.3171.5-153.921.8000113.4
228L46.9Very low43.8Very low146 Ų146150.1 Ų150.176%0.76479%0.786SS**SBendtrans-93.93.5169.7-73.2177.3000113.4
229S47.8Very low43.6Very low105 Ų105151.6 Ų151.673%0.73480%0.795SS**THydrogen-bonded Turntrans-94.63.6-175.567.20000115.9
230D43Very low42.8Very low144 Ų144152.1 Ų152.177%0.7779%0.793SS**THydrogen-bonded Turntrans-103.720.6177.2-158.125.5000113.6
231F46.9Very low42.5Very low192 Ų192149 Ų14984%0.84279%0.789SS**SBendtrans-104.4-1.3177.2-161.1-102.1000114.7
232E47.1Very low42Very low181 Ų181147.3 Ų147.385%0.84678%0.78SS**SBendtrans-106.1-7.4-175.2-79.1-165.9150.600117
233D47.8Very low41.4Very low137 Ų137147.2 Ų147.273%0.73378%0.78SS**THydrogen-bonded Turntrans-101.28.3-178.5-147.417000115.4
234M47Very low40.9Very low185 Ų185148.4 Ų148.491%0.91178%0.777SS**THydrogen-bonded Turntrans-99.120.4170.1-147.6-140.8-179.200113.7
235N47.6Very low40.5Very low159 Ų159148.9 Ų148.985%0.8578%0.775SS**SBendtrans-110.813176.8-135.610.6000114
236K47.2Very low39.6Very low181 Ų181150.1 Ų150.179%0.78778%0.781SS**SBendtrans-106.118.5179.4-153.3172.5-179.2178.60114.9
237L41.7Very low38.8Very low167 Ų167155.4 Ų155.487%0.87480%0.795SS**SBendtrans-134.556.7180-94.4151.5000111.9
238K35.1Very low38.1Very low202 Ų202156.1 Ų156.188%0.87880%0.8SS**  trans-177.9102.6150.3-107.3165.9-178.6174.50111.6
239T30.4Very low37.2Very low145 Ų145153.1 Ų153.189%0.8979%0.791SS**  171.8128.8125.9-172.70000111.5
240S27.6Very low36.3Very low109 Ų109152.3 Ų152.376%0.76279%0.785SS**  trans140.695.7165.1-159.50000105.3
241S32.3Very low35.6Very low97 Ų97153 Ų15368%0.67878%0.783SS**  40.9125.669.4-115.20000110.4
242D30.6Very low34.8Very low127 Ų127151.2 Ų151.268%0.67978%0.778SS**  cis-177.7155.626.7-154.130.3000107.9
243E33.4Very low33.9Very low155 Ų155150.7 Ų150.772%0.72478%0.775SS**  trans66.6149.7155.4-30.1-147.112100119.4
244E31.2Very low33.1Very low145 Ų145151.2 Ų151.268%0.67877%0.773SS**  cis-156.2163.321.5-92.4-160.3151.600111.5
245E29.8Very low32.2Very low153 Ų153150.4 Ų150.472%0.71577%0.767SS**  trans65.7115.6144.4-74.6-177.8173.400122.6
246Q29.6Very low31.4Very low188 Ų188151.4 Ų151.488%0.87977%0.769SS**  171.2119.1103.9-88.6178.21600110.8
247Q31.1Very low30.6Very low201 Ų201151.3 Ų151.394%0.93977%0.771SS**  trans-128112.6167.2-121.2-177.95.400107.7
248D25.9Very low30.1Very low160 Ų160152.3 Ų152.386%0.85677%0.772SS**  trans-159.1138.1163.4-156.927.7000103.5
249S27.8Very low29.9Very low83 Ų83149.3 Ų149.358%0.5876%0.761SS**  cis-169.4154.929.9172.80000108
250S28.5Very low29.9Very low87 Ų87148.9 Ų148.961%0.60876%0.758SS**  trans51.3145.5141.160.90000121.1
251E30.3Very low30.1Very low159 Ų159151.4 Ų151.474%0.74376%0.755SS**  cis-178.2156.17.8-108.8162.4174.900107.2
252E29.5Very low30.1Very low155 Ų155151.4 Ų151.472%0.72476%0.761SS**  trans55.2122140.6-63.2-179.5-176.900121
253E28.4Very low30.2Very low169 Ų169151.1 Ų151.179%0.7977%0.769SS**  59139.190.6-63.9-169.3-176.700112.5
254E29.6Very low30.3Very low148 Ų148155.8 Ų155.869%0.69278%0.78SS**  cis-171.7168.610.3-122.5-173.3179.700107.6
255E29.5Very low30.7Very low168 Ų168154.7 Ų154.779%0.78579%0.788SS**  trans64.5126.6152-66.7-172.8167.600123.1
256M29.6Very low31.1Very low180 Ų180157.8 Ų157.889%0.88780%0.8SS**  179.8128.4101.7-179.2167.8-88.500111.8
257E31Very low31.4Very low179 Ų179152.5 Ų152.584%0.83680%0.795SS**  trans-71.7149.7167-59.4-176.5140.400111.5
258E32.1Very low31.9Very low188 Ų188153 Ų15388%0.87979%0.794SS**  trans-139.3113153.4-146.8-178.6-17700111.6
259E29.4Very low32.6Very low139 Ų139151 Ų15165%0.6579%0.793SS**  trans-65.2135.3165.5-73.9-154.8145.700110.4K261E259-K261 IonicContact OE1-NZ 2.78Å; E259-K261 PolarHBondContact OE1-NZ 3.24Å; E259-K261 IonicContact OE2-NZ 2.75Å; E259-K261 PolarHBondContact OE2-NZ 3.02Å
260T31.2Very low33.3Very low136 Ų136153.1 Ų153.183%0.83481%0.805SS**  trans-135.6118.6144.250.90000111
261K31.8Very low34.1Very low162 Ų162153.3 Ų153.370%0.70481%0.811SS**  trans-91.3131.5170.6-71.1171.1-179120.60109E259E259-K261 IonicContact OE1-NZ 2.78Å; E259-K261 PolarHBondContact OE1-NZ 3.24Å; E259-K261 IonicContact OE2-NZ 2.75Å; E259-K261 PolarHBondContact OE2-NZ 3.02Å
262A31.7Very low34.7Very low97 Ų97153.9 Ų153.980%0.80282%0.82SS**  156.9120.7120.700000112.2
263S33.4Very low35.1Very low121 Ų121150.2 Ų150.285%0.84682%0.824SS**  178.2140.5114.249.40000110.6
264R35.6Very low36.1Very low253 Ų253147.9 Ų147.996%0.95583%0.826SS**  trans-85.5136-175.8-59.5164.393.4178.69.1108.9
265S39.3Very low37.2Very low122 Ų122145 Ų14585%0.85383%0.827SS**  trans-141.9131.515064.60000110.9
266K39Very low38.3Very low219 Ų219142.9 Ų142.995%0.95283%0.828SS**  trans-69.7127.8178-94.9162.9167.1168.70109.5
267G34.2Very low39.7Very low76 Ų76145.7 Ų145.778%0.78483%0.829SS**  trans-151.4100.1164.700000110.4
268K41.2Very low41Very low211 Ų211149 Ų14992%0.91783%0.833SS**  trans-73.5129.6170.8-91.6169.1167.51770109.2
269S41.5Very low42.2Very low120 Ų120149.9 Ų149.984%0.83984%0.835SS**  trans-159.7150.8151.8-78.70000110.6
270P43.3Very low43.7Very low127 Ų127154.8 Ų154.883%0.82585%0.847SS**  trans-94.8163.8-147.636.4-34.2000115
271A43.6Very low44.9Very low90 Ų90152.9 Ų152.974%0.74485%0.845SS**  trans-60.7159.2168.100000113.2
272N44.7Very low45.9Very low172 Ų172153.7 Ų153.792%0.9285%0.849SS**  trans87.493.7173.2-69.3-12.7000117.8
273G36.1Very low47.6Very low78 Ų78154 Ų15480%0.80484%0.841SS**  trans-147.594.8157.400000110.1A275G273-A275 PolarHBondContact O-N 3.27Å
274S50.3Low48.7Very low120 Ų120155.6 Ų155.684%0.83984%0.835SS**  trans-63123.4171.457.50000110.1
275A53.5Low50.4Low86 Ų86147.8 Ų147.871%0.71181%0.811SS**  trans-58.1134.3173.300000110.9G273 R277G273-A275 PolarHBondContact O-N 3.27Å; A275-R277 PolarHBondContact O-N 3.16Å; A275-R277 VanDerWaalsContact O-N 3.16Å
276P51.3Low51.4Low124 Ų124150.3 Ų150.381%0.80581%0.809SS**  trans-71.2115.5-178.627.7-31.6000109.9R278P276-R278 PolarHBondContact O-N 2.67Å; P276-R278 VanDerWaalsContact O-N 3.17Å
277R59.1Low52.6Low240 Ų240146.4 Ų146.491%0.90679%0.789SS**  trans-62.4116171.4-62.1178.791.2-177.87.8108.3A275 K279A275-R277 PolarHBondContact O-N 3.16Å; A275-R277 VanDerWaalsContact O-N 3.16Å; R277-K279 PolarHBondContact O-N 3.03Å
278R58.1Low53.7Low247 Ų247152 Ų15293%0.93280%0.795SS**  trans-56.3111.7170.9-71.1-176.4173.3-169.3-2109P276 R280P276-R278 PolarHBondContact O-N 2.67Å; P276-R278 VanDerWaalsContact O-N 3.17Å; R278-R280 PolarHBondContact O-N 2.9Å
279K57.2Low54.3Low208 Ų208148.1 Ų148.190%0.90479%0.789SS**PPolyproline II helixtrans-63.3124.7174.5-70.2179.7178.9178.60108.5R277R277-K279 PolarHBondContact O-N 3.03Å
280R62.3Low54.9Low242 Ų242151.3 Ų151.391%0.91379%0.791SS**PPolyproline II helixtrans-64.1142.4170.8-75.8178.2156.6-179.1-5.2109.1R278 F282R278-R280 PolarHBondContact O-N 2.9Å; R280-F282 PolarHBondContact O-N 2.61Å
281A55.1Low55.3Low95 Ų95151.1 Ų151.179%0.78579%0.79SS**PPolyproline II helixtrans-57.9122.5177.900000110.8
282F54.1Low55.8Low180 Ų180151.4 Ų151.479%0.78979%0.792SS**PPolyproline II helixtrans-71.1126.3170-175.9-103.2000108R280 E284R280-F282 PolarHBondContact O-N 2.61Å; F282-E284 HydrophobicContact CD1-CB 4.4Å; F282-E284 HydrophobicContact CE1-CB 4.04Å; F282-E284 HydrophobicContact CE1-CG 4.3Å
283V67.7Low56Low104 Ų104148.2 Ų148.263%0.6378%0.783SS**  trans-107.9105.9175.6176.40000106.5
284E56.2Low56.7Low154 Ų154154.2 Ų154.272%0.7279%0.787SS**  trans-76.4125.7172.7-161.2159.9-152.500108.4F282F282-E284 HydrophobicContact CD1-CB 4.4Å; F282-E284 HydrophobicContact CE1-CB 4.04Å; F282-E284 HydrophobicContact CE1-CG 4.3Å
285I70.6Confident56.7Low88 Ų88154.2 Ų154.245%0.45178%0.782SS.*  trans-101104.4178.1-60.6169.5000105.2Y287I285-Y287 HydrophobicContact CG2-CE2 4.48Å; I285-Y287 VanDerWaalsContact O-CD2 3.32Å; I285-Y287 WeakPolarHBondContact O-CD2 3.48Å; I285-Y287 WeakPolarHBondContact O-CE2 3.3Å; I285-Y287 PolarHBondContact O-N 2.74Å
286E61.4Low56.4Low175 Ų175161.4 Ų161.482%0.81879%0.791SS**  trans-71.2125.5170.4-69.3178.5168.600108.8
287Y63.4Low56.3Low137 Ų137161.7 Ų161.754%0.53779%0.79SS.*  trans-89.8113.8174.1-66.9-94.5000108.1E88 I285 T289E88-Y287 HydrophobicContact CG-CE1 4.1Å; E88-Y287 WeakPolarHBondContact OE1-CD1 3.39Å; E88-Y287 WeakPolarHBondContact OE1-CE1 3.48Å; I285-Y287 HydrophobicContact CG2-CE2 4.48Å; I285-Y287 VanDerWaalsContact O-CD2 3.32Å; I285-Y287 WeakPolarHBondContact O-CD2 3.48Å; I285-Y287 WeakPolarHBondContact O-CE2 3.3Å; I285-Y287 PolarHBondContact O-N 2.74Å; Y287-T289 PolarHBondContact O-N 3.41Å; Y287-T289 VanDerWaalsContact O-N 3.16Å
288E56.8Low55.7Low194 Ų194159.9 Ų159.991%0.90781%0.806SS**  trans-72.4102.5166.7-73-180172.600108.2E290E288-E290 PolarHBondContact O-N 3.36Å
289T54Low55.6Low130 Ų130155.5 Ų155.580%0.79880%0.8SS**  trans-79.6111.2168.438.60000109.1Y287Y287-T289 PolarHBondContact O-N 3.41Å; Y287-T289 VanDerWaalsContact O-N 3.16Å
290E53.7Low55.5Low186 Ų186152.7 Ų152.787%0.86979%0.794SS**PPolyproline II helixtrans-66.2130.3169.8-70.8-174163.700109.3E288 A292E288-E290 PolarHBondContact O-N 3.36Å; E290-A292 PolarHBondContact O-N 3.04Å
291P52.7Low55.1Low124 Ų124147.8 Ų147.881%0.80579%0.788SS**PPolyproline II helixtrans-65.8133.117427.1-32.5000109.5S293P291-S293 PolarHBondContact O-N 3.12Å
292A53.7Low55.1Low95 Ų95150.9 Ų150.979%0.78579%0.788SS**PPolyproline II helixtrans-50131.917900000111.3E290 K294E290-A292 PolarHBondContact O-N 3.04Å; A292-K294 PolarHBondContact O-N 3.17Å; A292-K294 VanDerWaalsContact O-N 3.08Å
293S49.1Very low55.2Low105 Ų105149.1 Ų149.173%0.73479%0.788SS**  trans-56.911617657.60000109.3P291 T295P291-S293 PolarHBondContact O-N 3.12Å; S293-T295 PolarHBondContact O-N 3.16Å
294K51.5Low54.3Low204 Ų204152.1 Ų152.189%0.88780%0.798SS**  trans-59.8106.2172-68.7-179.6179.4179.40108.2A292 R296A292-K294 PolarHBondContact O-N 3.17Å; A292-K294 VanDerWaalsContact O-N 3.08Å; K294-R296 PolarHBondContact O-N 3.36Å; K294-R296 VanDerWaalsContact O-N 3.1Å
295T49Very low54.2Low120 Ų120151.9 Ų151.974%0.73680%0.804SS**  trans-64.6108.9165.639.30000107.2S293 T297S293-T295 PolarHBondContact O-N 3.16Å; T295-T297 VanDerWaalsContact C-N 3.34Å; T295-T297 PolarHBondContact O-N 2.86Å
296R47.9Very low52.9Low238 Ų238156.8 Ų156.890%0.89883%0.831SS**  trans-76.191.3173.4-172176.2157.5-171.8-6.9107K294 T298K294-R296 PolarHBondContact O-N 3.36Å; K294-R296 VanDerWaalsContact O-N 3.1Å; R296-T298 PolarHBondContact O-N 2.78Å
297T48.1Very low52.2Low129 Ų129155.3 Ų155.379%0.79183%0.832SS**  trans-63.3117.9165.434.20000108.3T295T295-T297 VanDerWaalsContact C-N 3.34Å; T295-T297 PolarHBondContact O-N 2.86Å
298T46.7Very low51.2Low202 Ų202157 Ų157100%1.23986%0.859SS**  trans-65.80163.851.40000110.7R296R296-T298 PolarHBondContact O-N 2.78Å

Retrieved 298 of 298 residues in 374 ms (Link to these results)

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