A0A093I861_STRCA Loading...

Saccharopine dehydrogenase-like oxidoreductase

AlphaFold DB , UniProt , Accession A0A093I861, Species STRCA (Struthio camelus australis), Gene n/a, Length 358 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
1V59.1Low84.7Confident199 Ų199116.5 Ų116.5100%1.20666%0.662SS**  0127.50-179.20000107.2
2G81.8Confident85.6Confident67 Ų67110.7 Ų110.769%0.69165%0.647SS**  trans-126.8176.2178.400000110.7
3W85.6Confident86.4Confident253 Ų253104 Ų10496%0.95861%0.61SS**  trans-114.4130.5179-5892.7000110.1
4L85.4Confident87.1Confident85 Ų8597.2 Ų97.245%0.44557%0.57SS.*  trans-105.2136.9165.8-66.1175.9000108M17 Q20 T21L4-M17 HydrophobicContact CB-CG 4.44Å; L4-M17 HydrophobicContact CD1-CG 4.47Å; L4-Q20 HydrophobicContact CD1-CB 3.98Å; L4-T21 HydrophobicContact CD1-CG2 3.71Å
5R86.1Confident87.7Confident226 Ų22691.5 Ų91.585%0.85354%0.538SS*.  trans-95.8124.3176.2-174.1176.3177176-1.7109.2
6G85.6Confident88.2Confident36 Ų3688.3 Ų88.337%0.37153%0.525SS..  trans-130.8128.8171.300000109.4S13G6-S13 WeakPolarHBondContact CA-OG 3.49Å
7D88.5Confident88.6Confident92 Ų9285 Ų8549%0.49250%0.504SS..  trans-99.4122.2169.6-173.8-21.8000109.4G9 D10 S13 L14D7-G9 PolarHBondContact O-N 3.36Å; D7-G9 VanDerWaalsContact O-N 3.14Å; D7-G9 PolarHBondContact OD1-N 3.06Å; D7-D10 HydrophobicContact CB-CB 4.04Å; D7-D10 PolarHBondContact O-N 3.36Å; D7-S13 PolarHBondContact N-OG 3.01Å; D7-L14 WeakPolarHBondContact O-CG 3.47Å
8G84.6Confident89.1Confident49 Ų4980.3 Ų80.351%0.50548%0.476SS..THydrogen-bonded Turntrans-61.1-20-179.600000114.4
9G88.1Confident89.5Confident75 Ų7585 Ų8577%0.77349%0.485SS*.THydrogen-bonded Turntrans-90.6-6.5174.500000114.8D7D7-G9 PolarHBondContact O-N 3.36Å; D7-G9 VanDerWaalsContact O-N 3.14Å; D7-G9 PolarHBondContact OD1-N 3.06Å
10D93.8Very high89.7Confident80 Ų8087.3 Ų87.343%0.42849%0.491SS..  trans-117.2107.3-178-179.2-11.5000110.9D7 G12 S13 L14D7-D10 HydrophobicContact CB-CB 4.04Å; D7-D10 PolarHBondContact O-N 3.36Å; D10-G12 VanDerWaalsContact C-N 3.3Å; D10-G12 PolarHBondContact O-N 2.89Å; D10-G12 WeakPolarHBondContact OD1-CA 3.27Å; D10-G12 PolarHBondContact OD1-N 2.87Å; D10-S13 WeakPolarHBondContact O-CB 3.36Å; D10-S13 PolarHBondContact O-N 3.02Å; D10-S13 PolarHBondContact OD1-N 3.29Å; D10-S13 VanDerWaalsContact OD1-N 3.14Å; D10-L14 PolarHBondContact O-N 3.36Å
11E93.6Very high90Very high119 Ų11984.8 Ų84.856%0.55648%0.478SS*.Hα-helixtrans-58.4-38.7178.5-177.7170.9177.400113S13 L14 A15 K40E11-S13 VanDerWaalsContact C-N 3.35Å; E11-L14 PolarHBondContact O-N 2.96Å; E11-A15 WeakPolarHBondContact O-CB 3.47Å; E11-A15 PolarHBondContact O-N 3.07Å; E11-K40 VanDerWaalsContact CD-NZ 3.31Å; E11-K40 IonicContact OE1-NZ 3.34Å; E11-K40 PolarHBondContact OE1-NZ 3.24Å; E11-K40 IonicContact OE2-NZ 3.13Å; E11-K40 PolarHBondContact OE2-NZ 3.25Å
12G94.9Very high91.7Very high47 Ų4784.1 Ų84.149%0.48545%0.453SS..Hα-helixtrans-67-39.2178.300000111.7D10 A15 A16D10-G12 VanDerWaalsContact C-N 3.3Å; D10-G12 PolarHBondContact O-N 2.89Å; D10-G12 WeakPolarHBondContact OD1-CA 3.27Å; D10-G12 PolarHBondContact OD1-N 2.87Å; G12-A15 PolarHBondContact O-N 3.35Å; G12-A16 WeakPolarHBondContact O-CB 3.34Å; G12-A16 PolarHBondContact O-N 2.84Å
13S95.7Very high92.5Very high24 Ų2482 Ų8217%0.16843%0.427CS..Hα-helixtrans-64.1-47.5175.5-170.30000112G6 D7 D10 E11 A15 A16 M17G6-S13 WeakPolarHBondContact CA-OG 3.49Å; D7-S13 PolarHBondContact N-OG 3.01Å; D10-S13 WeakPolarHBondContact O-CB 3.36Å; D10-S13 PolarHBondContact O-N 3.02Å; D10-S13 PolarHBondContact OD1-N 3.29Å; D10-S13 VanDerWaalsContact OD1-N 3.14Å; E11-S13 VanDerWaalsContact C-N 3.35Å; S13-A15 PolarHBondContact O-N 3.1Å; S13-A16 PolarHBondContact O-N 3.32Å; S13-M17 PolarHBondContact O-N 2.9Å
14L96Very high93.1Very high9 Ų970.9 Ų70.95%0.04739%0.386CS..Hα-helixtrans-64.3-38.7176.8-67.7179.3000112.3D7 D10 E11 M17 A18 P37 A41D7-L14 WeakPolarHBondContact O-CG 3.47Å; D10-L14 PolarHBondContact O-N 3.36Å; E11-L14 PolarHBondContact O-N 2.96Å; L14-M17 HydrophobicContact CD2-CE 4.32Å; L14-M17 PolarHBondContact O-N 3.47Å; L14-A18 WeakPolarHBondContact O-CB 3.27Å; L14-A18 PolarHBondContact O-N 3.03Å; L14-P37 HydrophobicContact CD1-CB 3.69Å; L14-A41 HydrophobicContact CB-CB 3.61Å
15A96.4Very high93.6Very high11 Ų1170 Ų709%0.09138%0.382CS..Hα-helixtrans-63.6-42.4175.600000111.9E11 G12 S13 M17 A18 R19E11-A15 WeakPolarHBondContact O-CB 3.47Å; E11-A15 PolarHBondContact O-N 3.07Å; G12-A15 PolarHBondContact O-N 3.35Å; S13-A15 PolarHBondContact O-N 3.1Å; A15-M17 VanDerWaalsContact C-N 3.33Å; A15-M17 PolarHBondContact O-N 3.12Å; A15-A18 PolarHBondContact O-N 2.86Å; A15-R19 WeakPolarHBondContact O-CG 3.38Å; A15-R19 PolarHBondContact O-N 3.35Å
16A95.8Very high94.1Very high41 Ų4159.6 Ų59.634%0.33934%0.343SS..Hα-helixtrans-62.9-39.3176.700000112.2G12 S13 Q20G12-A16 WeakPolarHBondContact O-CB 3.34Å; G12-A16 PolarHBondContact O-N 2.84Å; S13-A16 PolarHBondContact O-N 3.32Å; A16-Q20 PolarHBondContact O-NE2 3.2Å
17M95.6Very high94.4Very high32 Ų3261.6 Ų61.616%0.15835%0.35CS..Hα-helixtrans-63.5-50.2172.2179.4-158.967.500111L4 S13 L14 A15 R19 Q20 T21 V24L4-M17 HydrophobicContact CB-CG 4.44Å; L4-M17 HydrophobicContact CD1-CG 4.47Å; S13-M17 PolarHBondContact O-N 2.9Å; L14-M17 HydrophobicContact CD2-CE 4.32Å; L14-M17 PolarHBondContact O-N 3.47Å; A15-M17 VanDerWaalsContact C-N 3.33Å; A15-M17 PolarHBondContact O-N 3.12Å; M17-R19 PolarHBondContact O-N 2.96Å; M17-Q20 PolarHBondContact O-N 3.09Å; M17-Q20 VanDerWaalsContact O-N 3.11Å; M17-T21 WeakPolarHBondContact O-CG2 3.34Å; M17-T21 PolarHBondContact O-N 3.34Å; M17-T21 PolarHBondContact O-OG1 2.9Å; M17-V24 HydrophobicContact CE-CG1 4.36Å; M17-V24 HydrophobicContact CE-CG2 3.94Å
18A96.6Very high94.4Very high0 Ų061.3 Ų61.30%035%0.352CS..Hα-helixtrans-58.7-43.4-177.500000112.4L14 A15 Q20 T21 A41 N45 A47L14-A18 WeakPolarHBondContact O-CB 3.27Å; L14-A18 PolarHBondContact O-N 3.03Å; A15-A18 PolarHBondContact O-N 2.86Å; A18-Q20 PolarHBondContact O-N 3.16Å; A18-Q20 VanDerWaalsContact O-N 3.08Å; A18-T21 PolarHBondContact O-N 3.05Å; A18-T21 VanDerWaalsContact O-O 3.1Å; A18-T21 PolarHBondContact O-OG1 2.87Å; A18-T21 VanDerWaalsContact O-OG1 3.12Å; A18-A41 HydrophobicContact CB-CB 4.3Å; A18-A41 WeakPolarHBondContact CB-O 3.5Å; A18-N45 HydrophobicContact CB-CB 3.81Å; A18-A47 HydrophobicContact CB-CB 4.38Å
19R96.4Very high94.4Very high170 Ų17060.6 Ų60.664%0.64235%0.345SS*.Hα-helixtrans-59.4-23.9177.9-71.8177.5-166.3134.58.4114.5A15 M17 N45A15-R19 WeakPolarHBondContact O-CG 3.38Å; A15-R19 PolarHBondContact O-N 3.35Å; M17-R19 PolarHBondContact O-N 2.96Å; R19-N45 HydrophobicContact CG-CB 3.72Å; R19-N45 VanDerWaalsContact CZ-OD1 3.29Å; R19-N45 PolarHBondContact NE-OD1 3.02Å; R19-N45 PolarHBondContact NH2-OD1 2.95Å
20Q95.4Very high94.4Very high130 Ų13057.6 Ų57.661%0.60731%0.311SS*.THydrogen-bonded Turntrans-99.24.4-177.4-66.5176.483.800112.5L4 A16 M17 A18L4-Q20 HydrophobicContact CD1-CB 3.98Å; A16-Q20 PolarHBondContact O-NE2 3.2Å; M17-Q20 PolarHBondContact O-N 3.09Å; M17-Q20 VanDerWaalsContact O-N 3.11Å; A18-Q20 PolarHBondContact O-N 3.16Å; A18-Q20 VanDerWaalsContact O-N 3.08Å
21T94.7Very high94.3Very high36 Ų3654.3 Ų54.322%0.22129%0.293CS..  trans-128.9144.1-174.456.50000111.3L4 M17 A18 A47L4-T21 HydrophobicContact CD1-CG2 3.71Å; M17-T21 WeakPolarHBondContact O-CG2 3.34Å; M17-T21 PolarHBondContact O-N 3.34Å; M17-T21 PolarHBondContact O-OG1 2.9Å; A18-T21 PolarHBondContact O-N 3.05Å; A18-T21 VanDerWaalsContact O-O 3.1Å; A18-T21 PolarHBondContact O-OG1 2.87Å; A18-T21 VanDerWaalsContact O-OG1 3.12Å; T21-A47 WeakPolarHBondContact O-CB 3.33Å
22R95.7Very high94Very high184 Ų18451.4 Ų51.469%0.69428%0.277SS*.SBendtrans-84.8-33.6172.1-68.4174.961.9-157-2.3111.6S48R22-S48 PolarHBondContact O-N 3.41Å
23L97.8Very high93.7Very high24 Ų2453.6 Ų53.613%0.12627%0.273CS..EExtended strand (participates in β ladder)trans-148.4132.7-174.8172.563.6000109.6L25 S48 I50 A311 L314 L315L23-L25 HydrophobicContact CD1-CD1 4.48Å; L23-L25 HydrophobicContact CD2-CD1 3.77Å; L23-L25 HydrophobicContact CG-CD1 3.73Å; L23-S48 CarbonylContact C-O 3.51Å; L23-S48 VanDerWaalsContact CA-O 3.31Å; L23-S48 WeakPolarHBondContact CA-O 3.45Å; L23-I50 HydrophobicContact CD1-CB 4.42Å; L23-I50 HydrophobicContact CD1-CD1 4.15Å; L23-I50 HydrophobicContact CD1-CG1 3.94Å; L23-I50 HydrophobicContact CD2-CD1 4.22Å; L23-A311 HydrophobicContact CD2-CB 3.55Å; L23-L314 HydrophobicContact CD1-CD1 4.11Å; L23-L314 HydrophobicContact CD2-CD2 4.32Å; L23-L315 HydrophobicContact CB-CD2 4.36Å; L23-L315 HydrophobicContact CD2-CD1 4.21Å; L23-L315 HydrophobicContact CD2-CG 4.18Å
24V97.5Very high93.5Very high19 Ų1957.6 Ų57.612%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-107.2133.5171.1177.80000109.5M17 V38 C42 S48 C49 I50M17-V24 HydrophobicContact CE-CG1 4.36Å; M17-V24 HydrophobicContact CE-CG2 3.94Å; V24-V38 HydrophobicContact CG1-CG1 3.85Å; V24-C42 VanDerWaalsContact CG2-SG 3.53Å; V24-S48 PolarHBondContact N-O 3.31Å; V24-C49 CarbonylContact O-C 3.55Å; V24-C49 WeakPolarHBondContact O-CA 3.42Å; V24-I50 PolarHBondContact O-N 2.68Å
25L97.7Very high93.4Very high67 Ų6757.2 Ų57.235%0.35129%0.286SS..EExtended strand (participates in β ladder)trans-101.4100.1171.5-82.563000107.1L23 C27 I50 M307 V308 A311L23-L25 HydrophobicContact CD1-CD1 4.48Å; L23-L25 HydrophobicContact CD2-CD1 3.77Å; L23-L25 HydrophobicContact CG-CD1 3.73Å; L25-C27 PolarHBondContact O-N 3.14Å; L25-I50 CarbonylContact C-O 3.46Å; L25-I50 WeakPolarHBondContact CA-O 3.4Å; L25-M307 VanDerWaalsContact C-CE 3.47Å; L25-M307 HydrophobicContact CB-CE 3.47Å; L25-M307 VanDerWaalsContact CB-CE 3.47Å; L25-M307 HydrophobicContact CB-SD 4.12Å; L25-M307 HydrophobicContact CD2-CG 4.29Å; L25-M307 HydrophobicContact CD2-SD 4.3Å; L25-M307 HydrophobicContact CG-CE 3.92Å; L25-M307 HydrophobicContact CG-CG 4.35Å; L25-M307 HydrophobicContact CG-SD 4.29Å; L25-V308 HydrophobicContact CD2-CG2 4.44Å; L25-A311 HydrophobicContact CD1-CB 3.82Å; L25-A311 HydrophobicContact CD2-CB 4.05Å; L25-A311 HydrophobicContact CG-CB 4.23Å
26D95.6Very high93.4Very high7 Ų759.5 Ų59.54%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-84.8108.8-179.6-175.25.7000110.9V28 Y31 V38 I50 D51 M307D26-V28 PolarHBondContact OD1-N 2.63Å; D26-Y31 HydrophobicContact CB-CE1 4.27Å; D26-Y31 PolarHBondContact O-OH 3.4Å; D26-Y31 WeakPolarHBondContact OD2-CE1 3.06Å; D26-V38 HydrophobicContact CB-CG1 4.27Å; D26-I50 PolarHBondContact N-O 3.43Å; D26-D51 HydrophobicContact CB-CB 4.32Å; D26-D51 WeakPolarHBondContact O-CA 3.38Å; D26-M307 WeakPolarHBondContact O-CE 3.49Å
27C92.9Very high93.4Very high77 Ų7760 Ų6052%0.5229%0.294SS..  trans-106.79-179.6-56.80000113L25 Y31 M307L25-C27 PolarHBondContact O-N 3.14Å; C27-Y31 WeakPolarHBondContact CA-OH 3.3Å; C27-M307 PolarHBondContact SG-SD 2.97Å
28V87Confident93.5Very high87 Ų8759.2 Ų59.253%0.52729%0.291SS..  trans-104.6100.1-168.8-175.80000111.3D26 F34D26-V28 PolarHBondContact OD1-N 2.63Å; V28-F34 HydrophobicContact CG1-CB 4.29Å; V28-F34 HydrophobicContact CG1-CD2 4.5Å
29G85.1Confident93.5Very high34 Ų3459.2 Ų59.235%0.35129%0.291SS..SBendtrans-97169.2171.600000114.1
30P88.8Confident93.6Very high11 Ų1154 Ų547%0.07127%0.273CS..  cis-70.2130-3.6-18.633.1000112.5R32 F33 F34 K127P30-R32 VanDerWaalsContact C-N 3.27Å; P30-R32 PolarHBondContact O-N 3.32Å; P30-F33 HydrophobicContact CB-CD2 3.93Å; P30-F33 HydrophobicContact CB-CE2 4.27Å; P30-F33 HydrophobicContact CG-CD2 4.23Å; P30-F33 HydrophobicContact CG-CE2 4.48Å; P30-F33 PolarHBondContact O-N 3.02Å; P30-F34 WeakPolarHBondContact O-CD2 3.3Å; P30-F34 PolarHBondContact O-N 3.32Å; P30-K127 HydrophobicContact CG-CB 3.99Å
31Y90.9Very high93.7Very high12 Ų1248 Ų485%0.04725%0.246CC..Hα-helixtrans-66.3-29.5-168.2-74.2-88.1000113.1D26 C27 F33 F34 G35 D51 I52 E55 F58D26-Y31 HydrophobicContact CB-CE1 4.27Å; D26-Y31 PolarHBondContact O-OH 3.4Å; D26-Y31 WeakPolarHBondContact OD2-CE1 3.06Å; C27-Y31 WeakPolarHBondContact CA-OH 3.3Å; Y31-F33 PolarHBondContact O-N 3.13Å; Y31-F33 VanDerWaalsContact O-N 3.09Å; Y31-F34 PolarHBondContact O-N 3.03Å; Y31-G35 WeakPolarHBondContact O-CA 3.36Å; Y31-G35 PolarHBondContact O-N 3.35Å; Y31-D51 HydrophobicContact CD1-CB 4.19Å; Y31-D51 HydrophobicContact CE1-CB 3.6Å; Y31-I52 HydrophobicContact CE2-CG1 4.25Å; Y31-I52 WeakPolarHBondContact OH-CG1 3.5Å; Y31-I52 PolarHBondContact OH-N 3.24Å; Y31-E55 WeakPolarHBondContact CA-OE2 3.25Å; Y31-E55 VanDerWaalsContact CB-OE2 3.32Å; Y31-E55 WeakPolarHBondContact CB-OE2 3.18Å; Y31-E55 PolarHBondContact N-OE2 3.08Å; Y31-E55 VanDerWaalsContact N-OE2 3.08Å; Y31-F58 HydrophobicContact CD1-CE1 4.15Å; Y31-F58 HydrophobicContact CD1-CZ 4.24Å; Y31-F58 HydrophobicContact CG-CE1 4.24Å; Y31-F58 WeakPolarHBondContact O-CD2 3.27Å; Y31-F58 VanDerWaalsContact O-CE2 3.3Å; Y31-F58 WeakPolarHBondContact O-CE2 3.49Å
32R87.6Confident93.9Very high57 Ų5746.3 Ų46.322%0.21524%0.236CC..Hα-helixtrans-48.1-36.4169.8173.6174.9-64.8-152.72.8114P30 E55 D135P30-R32 VanDerWaalsContact C-N 3.27Å; P30-R32 PolarHBondContact O-N 3.32Å; R32-E55 PolarHBondContact N-OE2 2.88Å; R32-D135 IonicContact CZ-OD2 2.79Å; R32-D135 IonicContact NH1-OD2 2.7Å; R32-D135 PolarHBondContact NH1-OD2 3.04Å; R32-D135 VanDerWaalsContact NH2-CB 3.31Å; R32-D135 IonicContact NH2-OD2 2.89Å; R32-D135 PolarHBondContact NH2-OD2 2.88Å
33F88.8Confident94Very high93 Ų9337.6 Ų37.641%0.40820%0.203SC..Hα-helixtrans-96.8-34.3-176.4-55.6-59.8000112.5P30 Y31 Y131P30-F33 HydrophobicContact CB-CD2 3.93Å; P30-F33 HydrophobicContact CB-CE2 4.27Å; P30-F33 HydrophobicContact CG-CD2 4.23Å; P30-F33 HydrophobicContact CG-CE2 4.48Å; P30-F33 PolarHBondContact O-N 3.02Å; Y31-F33 PolarHBondContact O-N 3.13Å; Y31-F33 VanDerWaalsContact O-N 3.09Å; F33-Y131 AromaticContact CE2-CD2 3.57Å; F33-Y131 HydrophobicContact CE2-CD2 3.57Å; F33-Y131 AromaticContact CE2-CE2 3.71Å; F33-Y131 HydrophobicContact CE2-CE2 3.71Å; F33-Y131 HydrophobicContact CE2-CG 4.01Å; F33-Y131 HydrophobicContact CZ-CD1 4.03Å; F33-Y131 AromaticContact CZ-CD2 3.92Å; F33-Y131 HydrophobicContact CZ-CD2 3.92Å; F33-Y131 HydrophobicContact CZ-CE1 4.16Å; F33-Y131 HydrophobicContact CZ-CE2 4.05Å; F33-Y131 AromaticContact CZ-CG 3.91Å; F33-Y131 HydrophobicContact CZ-CG 3.91Å
34F90.9Very high94Very high109 Ų10939.4 Ų39.448%0.47821%0.211SC..Hα-helixtrans-116.5-16.3-167.5-54.7-60000114.7V28 P30 Y31V28-F34 HydrophobicContact CG1-CB 4.29Å; V28-F34 HydrophobicContact CG1-CD2 4.5Å; P30-F34 WeakPolarHBondContact O-CD2 3.3Å; P30-F34 PolarHBondContact O-N 3.32Å; Y31-F34 PolarHBondContact O-N 3.03Å
35G94.6Very high94Very high0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-80.8-36.8-172.800000114.5Y31 V38 I39Y31-G35 WeakPolarHBondContact O-CA 3.36Å; Y31-G35 PolarHBondContact O-N 3.35Å; G35-V38 PolarHBondContact O-N 3.02Å; G35-I39 PolarHBondContact O-N 2.99Å; G35-I39 VanDerWaalsContact O-N 3.08Å
36E95.9Very high94Very high60 Ų6039 Ų3928%0.2822%0.219SC..Hα-helixtrans-61.3-44.3-177.2179.3171174.200113.3V38 I39 K40 M62 K65 Y66E36-V38 VanDerWaalsContact C-N 3.27Å; E36-V38 PolarHBondContact O-N 3.12Å; E36-I39 PolarHBondContact O-N 3.45Å; E36-K40 WeakPolarHBondContact O-CB 3.46Å; E36-K40 PolarHBondContact O-N 2.85Å; E36-M62 HydrophobicContact CB-CE 3.72Å; E36-M62 HydrophobicContact CB-SD 4.09Å; E36-M62 HydrophobicContact CG-CE 3.76Å; E36-M62 HydrophobicContact CG-SD 4.19Å; E36-K65 WeakPolarHBondContact OE1-CD 3.46Å; E36-K65 IonicContact OE1-NZ 2.71Å; E36-K65 PolarHBondContact OE1-NZ 3.02Å; E36-K65 IonicContact OE2-NZ 2.72Å; E36-K65 PolarHBondContact OE2-NZ 2.93Å; E36-Y66 HydrophobicContact CG-CE2 4.04Å; E36-Y66 WeakPolarHBondContact CG-OH 3.49Å; E36-Y66 PolarHBondContact OE1-OH 3.35Å
37P96.6Very high94.1Very high50 Ų5038.7 Ų38.733%0.32522%0.217SC..Hα-helixtrans-55.5-40.5175.9-27.536.1000113.5L14 A41L14-P37 HydrophobicContact CD1-CB 3.69Å; P37-A41 WeakPolarHBondContact O-CB 3.29Å; P37-A41 PolarHBondContact O-N 3.31Å
38V96.8Very high94.4Very high17 Ų1735.5 Ų35.510%0.10320%0.196CC..Hα-helixtrans-67.8-47.5179-178.30000110.7V24 D26 G35 E36 K40 A41 C42V24-V38 HydrophobicContact CG1-CG1 3.85Å; D26-V38 HydrophobicContact CB-CG1 4.27Å; G35-V38 PolarHBondContact O-N 3.02Å; E36-V38 VanDerWaalsContact C-N 3.27Å; E36-V38 PolarHBondContact O-N 3.12Å; V38-K40 PolarHBondContact O-N 2.89Å; V38-A41 PolarHBondContact O-N 3.45Å; V38-C42 WeakPolarHBondContact O-CB 3.45Å; V38-C42 PolarHBondContact O-N 2.86Å; V38-C42 PolarHBondContact O-SG 3.3Å
39I97.6Very high94.9Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-61.1-45.3177.7-70.8172.2000110.8G35 E36 A41 C42 V43 F58 M62 Y66 V77G35-I39 PolarHBondContact O-N 2.99Å; G35-I39 VanDerWaalsContact O-N 3.08Å; E36-I39 PolarHBondContact O-N 3.45Å; I39-A41 PolarHBondContact O-N 2.9Å; I39-C42 PolarHBondContact O-N 3.08Å; I39-V43 HydrophobicContact CG2-CG2 4.18Å; I39-V43 WeakPolarHBondContact O-CB 3.31Å; I39-V43 WeakPolarHBondContact O-CG2 3.33Å; I39-V43 PolarHBondContact O-N 3.19Å; I39-F58 HydrophobicContact CD1-CE1 4.16Å; I39-F58 HydrophobicContact CD1-CE2 4.43Å; I39-F58 HydrophobicContact CD1-CZ 3.56Å; I39-M62 HydrophobicContact CB-SD 4.24Å; I39-M62 HydrophobicContact CD1-CB 4.25Å; I39-M62 HydrophobicContact CD1-CG 3.55Å; I39-M62 HydrophobicContact CD1-SD 3.59Å; I39-M62 VanDerWaalsContact CD1-SD 3.59Å; I39-M62 HydrophobicContact CG2-SD 4.16Å; I39-Y66 HydrophobicContact CG2-CD2 3.72Å; I39-Y66 HydrophobicContact CG2-CE2 4.09Å; I39-Y66 HydrophobicContact CG2-CG 4.01Å; I39-V77 HydrophobicContact CD1-CG1 3.98Å; I39-V77 HydrophobicContact CG1-CG1 4.17Å; I39-V77 HydrophobicContact CG2-CG1 4.11Å; I39-V77 HydrophobicContact CG2-CG2 4.13Å
40K97.9Very high95.5Very high59 Ų5929.8 Ų29.826%0.25715%0.154SC..Hα-helixtrans-55.7-52.3176.8-173.2-168.8176.7-1600110.6E11 E36 V38 C42 V43 E44 Y66E11-K40 VanDerWaalsContact CD-NZ 3.31Å; E11-K40 IonicContact OE1-NZ 3.34Å; E11-K40 PolarHBondContact OE1-NZ 3.24Å; E11-K40 IonicContact OE2-NZ 3.13Å; E11-K40 PolarHBondContact OE2-NZ 3.25Å; E36-K40 WeakPolarHBondContact O-CB 3.46Å; E36-K40 PolarHBondContact O-N 2.85Å; V38-K40 PolarHBondContact O-N 2.89Å; K40-C42 VanDerWaalsContact C-N 3.32Å; K40-C42 PolarHBondContact O-N 3.09Å; K40-V43 PolarHBondContact O-N 3.27Å; K40-E44 VanDerWaalsContact CE-OE1 3.3Å; K40-E44 WeakPolarHBondContact CE-OE1 3.42Å; K40-E44 WeakPolarHBondContact CE-OE2 3.26Å; K40-E44 HydrophobicContact CG-CG 4.44Å; K40-E44 VanDerWaalsContact O-CB 3.32Å; K40-E44 WeakPolarHBondContact O-CB 3.45Å; K40-E44 WeakPolarHBondContact O-CG 3.26Å; K40-E44 PolarHBondContact O-N 2.85Å; K40-Y66 HydrophobicContact CB-CE1 4.13Å; K40-Y66 WeakPolarHBondContact CB-OH 3.4Å; K40-Y66 HydrophobicContact CG-CE1 4.19Å
41A97.8Very high95.9Very high6 Ų629.4 Ų29.45%0.0515%0.152CC..Hα-helixtrans-59.9-42.7-179.400000111.9L14 A18 P37 V38 I39 N45L14-A41 HydrophobicContact CB-CB 3.61Å; A18-A41 HydrophobicContact CB-CB 4.3Å; A18-A41 WeakPolarHBondContact CB-O 3.5Å; P37-A41 WeakPolarHBondContact O-CB 3.29Å; P37-A41 PolarHBondContact O-N 3.31Å; V38-A41 PolarHBondContact O-N 3.45Å; I39-A41 PolarHBondContact O-N 2.9Å; A41-N45 VanDerWaalsContact O-CB 3.3Å; A41-N45 WeakPolarHBondContact O-CB 3.26Å; A41-N45 PolarHBondContact O-N 3.13Å; A41-N45 VanDerWaalsContact O-N 3.14Å; A41-N45 PolarHBondContact O-ND2 3.29Å
42C98.2Very high96.2Very high0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-61.8-53.7177.2-67.50000111.6V24 V38 I39 K40 E44 N45 G46 A47 C49V24-C42 VanDerWaalsContact CG2-SG 3.53Å; V38-C42 WeakPolarHBondContact O-CB 3.45Å; V38-C42 PolarHBondContact O-N 2.86Å; V38-C42 PolarHBondContact O-SG 3.3Å; I39-C42 PolarHBondContact O-N 3.08Å; K40-C42 VanDerWaalsContact C-N 3.32Å; K40-C42 PolarHBondContact O-N 3.09Å; C42-E44 VanDerWaalsContact C-N 3.32Å; C42-E44 PolarHBondContact O-N 3.13Å; C42-N45 PolarHBondContact O-N 3.3Å; C42-G46 PolarHBondContact O-N 2.74Å; C42-A47 CarbonylContact C-O 3.49Å; C42-A47 VanDerWaalsContact C-O 3.25Å; C42-A47 HydrophobicContact CB-CB 4.09Å; C42-A47 WeakPolarHBondContact CB-O 3.44Å; C42-A47 PolarHBondContact O-N 3.12Å; C42-A47 VanDerWaalsContact O-O 3.1Å; C42-C49 HydrophobicContact CB-CB 4.11Å
43V98.4Very high96.5Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-61-40.9-178.4172.20000111.8I39 K40 N45 Y66 K69 A70 K73 V75 V77I39-V43 HydrophobicContact CG2-CG2 4.18Å; I39-V43 WeakPolarHBondContact O-CB 3.31Å; I39-V43 WeakPolarHBondContact O-CG2 3.33Å; I39-V43 PolarHBondContact O-N 3.19Å; K40-V43 PolarHBondContact O-N 3.27Å; V43-N45 VanDerWaalsContact C-N 3.34Å; V43-N45 PolarHBondContact O-N 3.26Å; V43-Y66 HydrophobicContact CB-CD1 4.42Å; V43-Y66 HydrophobicContact CG1-CD1 4.33Å; V43-Y66 HydrophobicContact CG2-CD1 4.47Å; V43-K69 HydrophobicContact CG1-CB 3.93Å; V43-K69 HydrophobicContact CG1-CD 3.93Å; V43-K69 HydrophobicContact CG1-CG 3.68Å; V43-A70 HydrophobicContact CG1-CB 4.32Å; V43-A70 HydrophobicContact CG2-CB 4.13Å; V43-K73 WeakPolarHBondContact O-CG 3.07Å; V43-V75 HydrophobicContact CG2-CG2 4.33Å; V43-V77 HydrophobicContact CG2-CG2 3.63Å
44E98Very high96.5Very high62 Ų6224.9 Ų24.929%0.2914%0.142SC..Hα-helixtrans-71.8-28.6-178.4-75.1-180172.700113.8K40 C42 K69K40-E44 VanDerWaalsContact CE-OE1 3.3Å; K40-E44 WeakPolarHBondContact CE-OE1 3.42Å; K40-E44 WeakPolarHBondContact CE-OE2 3.26Å; K40-E44 HydrophobicContact CG-CG 4.44Å; K40-E44 VanDerWaalsContact O-CB 3.32Å; K40-E44 WeakPolarHBondContact O-CB 3.45Å; K40-E44 WeakPolarHBondContact O-CG 3.26Å; K40-E44 PolarHBondContact O-N 2.85Å; C42-E44 VanDerWaalsContact C-N 3.32Å; C42-E44 PolarHBondContact O-N 3.13Å; E44-K69 IonicContact OE1-NZ 3.26Å; E44-K69 PolarHBondContact OE1-NZ 3.21Å
45N97.9Very high96.4Very high35 Ų3520.3 Ų20.319%0.18712%0.122CC..Hα-helixtrans-114.511.6-171-63-82.3000114A18 R19 A41 C42 V43A18-N45 HydrophobicContact CB-CB 3.81Å; R19-N45 HydrophobicContact CG-CB 3.72Å; R19-N45 VanDerWaalsContact CZ-OD1 3.29Å; R19-N45 PolarHBondContact NE-OD1 3.02Å; R19-N45 PolarHBondContact NH2-OD1 2.95Å; A41-N45 VanDerWaalsContact O-CB 3.3Å; A41-N45 WeakPolarHBondContact O-CB 3.26Å; A41-N45 PolarHBondContact O-N 3.13Å; A41-N45 VanDerWaalsContact O-N 3.14Å; A41-N45 PolarHBondContact O-ND2 3.29Å; C42-N45 PolarHBondContact O-N 3.3Å; V43-N45 VanDerWaalsContact C-N 3.34Å; V43-N45 PolarHBondContact O-N 3.26Å
46G97.2Very high96.2Very high43 Ų4321.9 Ų21.944%0.44313%0.132SC..THydrogen-bonded Turntrans84.221.117000000115.1C42C42-G46 PolarHBondContact O-N 2.74Å
47A98.1Very high96Very high0 Ų020.5 Ų20.50%013%0.126CC..  trans-102.1143.8171.600000111A18 T21 C42A18-A47 HydrophobicContact CB-CB 4.38Å; T21-A47 WeakPolarHBondContact O-CB 3.33Å; C42-A47 CarbonylContact C-O 3.49Å; C42-A47 VanDerWaalsContact C-O 3.25Å; C42-A47 HydrophobicContact CB-CB 4.09Å; C42-A47 WeakPolarHBondContact CB-O 3.44Å; C42-A47 PolarHBondContact O-N 3.12Å; C42-A47 VanDerWaalsContact O-O 3.1Å
48S98.4Very high95.8Very high11 Ų1118.6 Ų18.68%0.07711%0.112CC..EExtended strand (participates in β ladder)trans-79160.4165.7-64.20000110.5R22 L23 V24 Y76R22-S48 PolarHBondContact O-N 3.41Å; L23-S48 CarbonylContact C-O 3.51Å; L23-S48 VanDerWaalsContact CA-O 3.31Å; L23-S48 WeakPolarHBondContact CA-O 3.45Å; V24-S48 PolarHBondContact N-O 3.31Å; S48-Y76 CarbonylContact C-O 3.53Å; S48-Y76 WeakPolarHBondContact CA-O 3.32Å; S48-Y76 WeakPolarHBondContact CB-O 3.43Å; S48-Y76 PolarHBondContact OG-N 3.02Å
49C98.1Very high95.6Very high1 Ų118.2 Ų18.21%0.00711%0.11CC..EExtended strand (participates in β ladder)trans-137.3136.3179.5-171.20000110.9V24 C42 Y76 V77 I78V24-C49 CarbonylContact O-C 3.55Å; V24-C49 WeakPolarHBondContact O-CA 3.42Å; C42-C49 HydrophobicContact CB-CB 4.11Å; C49-Y76 PolarHBondContact N-O 2.86Å; C49-V77 CarbonylContact O-C 3.42Å; C49-V77 VanDerWaalsContact O-CA 3.31Å; C49-V77 WeakPolarHBondContact O-CA 3.44Å; C49-I78 PolarHBondContact O-N 3.23Å
50I98Very high95.4Very high0 Ų018.6 Ų18.60%011%0.113CC..EExtended strand (participates in β ladder)trans-121.9134.1170-72.1176.6000108.5L23 V24 L25 D26 I78 C81 M307 A310 A311 L314 F334L23-I50 HydrophobicContact CD1-CB 4.42Å; L23-I50 HydrophobicContact CD1-CD1 4.15Å; L23-I50 HydrophobicContact CD1-CG1 3.94Å; L23-I50 HydrophobicContact CD2-CD1 4.22Å; V24-I50 PolarHBondContact O-N 2.68Å; L25-I50 CarbonylContact C-O 3.46Å; L25-I50 WeakPolarHBondContact CA-O 3.4Å; D26-I50 PolarHBondContact N-O 3.43Å; I50-I78 WeakPolarHBondContact CA-O 3.33Å; I50-I78 HydrophobicContact CG1-CB 4.19Å; I50-C81 HydrophobicContact CG2-CB 3.35Å; I50-M307 HydrophobicContact CG2-CE 4.2Å; I50-M307 HydrophobicContact CG2-CG 3.99Å; I50-M307 VanDerWaalsContact O-CE 3.26Å; I50-M307 WeakPolarHBondContact O-CE 3.34Å; I50-A310 HydrophobicContact CD1-CB 4.29Å; I50-A311 HydrophobicContact CD1-CB 4.16Å; I50-L314 HydrophobicContact CD1-CB 4.39Å; I50-L314 HydrophobicContact CD1-CD1 4Å; I50-L314 HydrophobicContact CG1-CD1 4.25Å; I50-F334 HydrophobicContact CD1-CZ 4.43Å
51D97.2Very high95.3Very high3 Ų316.2 Ų16.22%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-121.7168.7174.171.554.8000112.4D26 Y31 S53 I78 G79 S80 C81D26-D51 HydrophobicContact CB-CB 4.32Å; D26-D51 WeakPolarHBondContact O-CA 3.38Å; Y31-D51 HydrophobicContact CD1-CB 4.19Å; Y31-D51 HydrophobicContact CE1-CB 3.6Å; D51-S53 WeakPolarHBondContact OD1-CB 3.34Å; D51-S53 PolarHBondContact OD1-N 3.46Å; D51-I78 PolarHBondContact N-O 3.16Å; D51-I78 VanDerWaalsContact N-O 3.14Å; D51-G79 VanDerWaalsContact OD1-CA 3.24Å; D51-G79 WeakPolarHBondContact OD1-CA 3.1Å; D51-G79 WeakPolarHBondContact OD2-CA 3.39Å; D51-S80 PolarHBondContact O-N 3.02Å; D51-S80 PolarHBondContact OD1-N 2.91Å; D51-C81 WeakPolarHBondContact O-CA 3.45Å; D51-C81 WeakPolarHBondContact O-CB 3.44Å; D51-C81 PolarHBondContact O-N 3.13Å
52I96Very high95.3Very high42 Ų4216.2 Ų16.222%0.21510%0.104CC..  trans-110.328172.359.6166.5000111.7Y31 G54 T303 M307Y31-I52 HydrophobicContact CE2-CG1 4.25Å; Y31-I52 WeakPolarHBondContact OH-CG1 3.5Å; Y31-I52 PolarHBondContact OH-N 3.24Å; I52-G54 PolarHBondContact O-N 3.08Å; I52-T303 HydrophobicContact CB-CG2 4.11Å; I52-T303 HydrophobicContact CD1-CG2 3.67Å; I52-T303 HydrophobicContact CG1-CG2 4.49Å; I52-T303 HydrophobicContact CG2-CG2 3.86Å; I52-M307 HydrophobicContact CG2-CB 3.93Å; I52-M307 HydrophobicContact CG2-CE 4.12Å; I52-M307 HydrophobicContact CG2-CG 3.83Å; I52-M307 HydrophobicContact CG2-SD 3.65Å
53S93.4Very high95.2Very high0 Ų019.2 Ų19.20%012%0.115CC..  trans-68.6123.7-174.5-174.80000112.5D51 E55 F58 S80D51-S53 WeakPolarHBondContact OD1-CB 3.34Å; D51-S53 PolarHBondContact OD1-N 3.46Å; S53-E55 PolarHBondContact OG-N 3.4Å; S53-F58 WeakPolarHBondContact OG-CD1 3.43Å; S53-S80 WeakPolarHBondContact O-CA 3.34Å; S53-S80 WeakPolarHBondContact O-CB 3.24Å; S53-S80 PolarHBondContact O-OG 2.94Å
54G88.6Confident95Very high24 Ų2422.6 Ų22.625%0.24713%0.133CC..  trans-92.918.6167.600000113.9I52 P56I52-G54 PolarHBondContact O-N 3.08Å; G54-P56 VanDerWaalsContact O-CD 3.31Å; G54-P56 WeakPolarHBondContact O-CD 3.26Å
55E90.6Very high95Very high14 Ų1425.1 Ų25.17%0.06514%0.143CC..  trans-104.999.1-172.1-61.3-177.7125.100112.2Y31 R32 S53 Q57 F58 L59Y31-E55 WeakPolarHBondContact CA-OE2 3.25Å; Y31-E55 VanDerWaalsContact CB-OE2 3.32Å; Y31-E55 WeakPolarHBondContact CB-OE2 3.18Å; Y31-E55 PolarHBondContact N-OE2 3.08Å; Y31-E55 VanDerWaalsContact N-OE2 3.08Å; R32-E55 PolarHBondContact N-OE2 2.88Å; S53-E55 PolarHBondContact OG-N 3.4Å; E55-Q57 PolarHBondContact O-N 2.89Å; E55-F58 HydrophobicContact CB-CB 3.95Å; E55-F58 WeakPolarHBondContact O-CB 3.19Å; E55-F58 PolarHBondContact O-N 3.35Å; E55-L59 WeakPolarHBondContact O-CG 3.47Å; E55-L59 PolarHBondContact O-N 3Å; E55-L59 VanDerWaalsContact O-N 3.08Å
56P89.9Confident95Very high33 Ų3324.2 Ų24.221%0.21414%0.137CC..Hα-helixtrans-59.4-28.2-173.1-27.236.3000115.2G54 A60 L139G54-P56 VanDerWaalsContact O-CD 3.31Å; G54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-A60 VanDerWaalsContact O-CB 3.29Å; P56-A60 WeakPolarHBondContact O-CB 3.28Å; P56-A60 PolarHBondContact O-N 3.27Å; P56-L139 HydrophobicContact CB-CD1 4.2Å; P56-L139 HydrophobicContact CB-CD2 3.98Å; P56-L139 WeakPolarHBondContact O-CD1 3.34Å
57Q90.3Very high95Very high31 Ų3124 Ų2415%0.14513%0.126CC..Hα-helixtrans-73.5-40.3179179.7-92.6-7.300111.6E55 G61 D135 N138 L139 L142E55-Q57 PolarHBondContact O-N 2.89Å; Q57-G61 PolarHBondContact O-N 3.38Å; Q57-D135 PolarHBondContact NE2-OD2 3.29Å; Q57-D135 VanDerWaalsContact NE2-OD2 3.08Å; Q57-N138 PolarHBondContact NE2-ND2 3.08Å; Q57-L139 HydrophobicContact CB-CB 4.19Å; Q57-L139 HydrophobicContact CB-CD1 4.27Å; Q57-L139 HydrophobicContact CG-CB 4.47Å; Q57-L142 HydrophobicContact CG-CD1 3.82Å; Q57-L142 WeakPolarHBondContact O-CD1 3.29Å
58F92.9Very high95Very high9 Ų931.2 Ų31.24%0.03916%0.16CC..Hα-helixtrans-62-51.4171171.7-102.3000110.6Y31 I39 S53 E55 A60 G61 M62Y31-F58 HydrophobicContact CD1-CE1 4.15Å; Y31-F58 HydrophobicContact CD1-CZ 4.24Å; Y31-F58 HydrophobicContact CG-CE1 4.24Å; Y31-F58 WeakPolarHBondContact O-CD2 3.27Å; Y31-F58 VanDerWaalsContact O-CE2 3.3Å; Y31-F58 WeakPolarHBondContact O-CE2 3.49Å; I39-F58 HydrophobicContact CD1-CE1 4.16Å; I39-F58 HydrophobicContact CD1-CE2 4.43Å; I39-F58 HydrophobicContact CD1-CZ 3.56Å; S53-F58 WeakPolarHBondContact OG-CD1 3.43Å; E55-F58 HydrophobicContact CB-CB 3.95Å; E55-F58 WeakPolarHBondContact O-CB 3.19Å; E55-F58 PolarHBondContact O-N 3.35Å; F58-A60 VanDerWaalsContact C-N 3.33Å; F58-A60 PolarHBondContact O-N 3.41Å; F58-G61 WeakPolarHBondContact O-CA 3.43Å; F58-G61 PolarHBondContact O-N 3.24Å; F58-M62 HydrophobicContact CD1-CG 4.3Å; F58-M62 HydrophobicContact CD2-CE 4.22Å; F58-M62 HydrophobicContact CD2-CG 4.05Å; F58-M62 HydrophobicContact CD2-SD 4.5Å; F58-M62 HydrophobicContact CE1-CG 3.94Å; F58-M62 HydrophobicContact CE2-CE 4.01Å; F58-M62 HydrophobicContact CE2-CG 3.66Å; F58-M62 HydrophobicContact CE2-SD 3.83Å; F58-M62 HydrophobicContact CG-CG 4.37Å; F58-M62 HydrophobicContact CZ-CG 3.61Å; F58-M62 HydrophobicContact CZ-SD 4.1Å; F58-M62 WeakPolarHBondContact O-CG 3.33Å; F58-M62 PolarHBondContact O-N 2.9Å
59L93.8Very high95Very high10 Ų1034.2 Ų34.25%0.05217%0.171CC..Hα-helixtrans-57.4-42.8-179.5-62.3170.2000112.8E55 Y63 S80 V184E55-L59 WeakPolarHBondContact O-CG 3.47Å; E55-L59 PolarHBondContact O-N 3Å; E55-L59 VanDerWaalsContact O-N 3.08Å; L59-Y63 PolarHBondContact O-N 3.29Å; L59-Y63 VanDerWaalsContact O-N 3.17Å; L59-S80 WeakPolarHBondContact CD1-OG 3.5Å; L59-V184 HydrophobicContact CD1-CG2 3.95Å
60A93.1Very high95Very high8 Ų834.2 Ų34.27%0.06617%0.171CC..Hα-helixtrans-67.9-40.1176.400000112P56 F58 Y63 L64 L139 L142 I146P56-A60 VanDerWaalsContact O-CB 3.29Å; P56-A60 WeakPolarHBondContact O-CB 3.28Å; P56-A60 PolarHBondContact O-N 3.27Å; F58-A60 VanDerWaalsContact C-N 3.33Å; F58-A60 PolarHBondContact O-N 3.41Å; A60-Y63 PolarHBondContact O-N 3.18Å; A60-L64 PolarHBondContact O-N 2.99Å; A60-L139 HydrophobicContact CB-CD1 4.16Å; A60-L142 HydrophobicContact CB-CB 4.37Å; A60-I146 HydrophobicContact CB-CD1 4.02Å; A60-I146 WeakPolarHBondContact O-CD1 3.34Å
61G95.1Very high95Very high8 Ų834.9 Ų34.98%0.08218%0.177CC..Hα-helixtrans-62.8-43.717600000112.4Q57 F58 Y63 L64 K65Q57-G61 PolarHBondContact O-N 3.38Å; F58-G61 WeakPolarHBondContact O-CA 3.43Å; F58-G61 PolarHBondContact O-N 3.24Å; G61-Y63 PolarHBondContact O-N 3.14Å; G61-L64 PolarHBondContact O-N 3.43Å; G61-K65 WeakPolarHBondContact O-CB 3.21Å; G61-K65 WeakPolarHBondContact O-CG 3.21Å; G61-K65 PolarHBondContact O-N 3.37Å
62M96.9Very high95.1Very high7 Ų742.1 Ų42.13%0.03421%0.211CC..Hα-helixtrans-64.9-40.1178.4-66-55.6101.900111.7E36 I39 F58 K65 Y66E36-M62 HydrophobicContact CB-CE 3.72Å; E36-M62 HydrophobicContact CB-SD 4.09Å; E36-M62 HydrophobicContact CG-CE 3.76Å; E36-M62 HydrophobicContact CG-SD 4.19Å; I39-M62 HydrophobicContact CB-SD 4.24Å; I39-M62 HydrophobicContact CD1-CB 4.25Å; I39-M62 HydrophobicContact CD1-CG 3.55Å; I39-M62 HydrophobicContact CD1-SD 3.59Å; I39-M62 VanDerWaalsContact CD1-SD 3.59Å; I39-M62 HydrophobicContact CG2-SD 4.16Å; F58-M62 HydrophobicContact CD1-CG 4.3Å; F58-M62 HydrophobicContact CD2-CE 4.22Å; F58-M62 HydrophobicContact CD2-CG 4.05Å; F58-M62 HydrophobicContact CD2-SD 4.5Å; F58-M62 HydrophobicContact CE1-CG 3.94Å; F58-M62 HydrophobicContact CE2-CE 4.01Å; F58-M62 HydrophobicContact CE2-CG 3.66Å; F58-M62 HydrophobicContact CE2-SD 3.83Å; F58-M62 HydrophobicContact CG-CG 4.37Å; F58-M62 HydrophobicContact CZ-CG 3.61Å; F58-M62 HydrophobicContact CZ-SD 4.1Å; F58-M62 WeakPolarHBondContact O-CG 3.33Å; F58-M62 PolarHBondContact O-N 2.9Å; M62-K65 HydrophobicContact CE-CD 4.3Å; M62-K65 PolarHBondContact O-N 3.34Å; M62-Y66 HydrophobicContact CE-CE2 4.1Å; M62-Y66 WeakPolarHBondContact O-CB 3.31Å; M62-Y66 PolarHBondContact O-N 2.82Å; M62-Y66 HydrophobicContact SD-CD2 3.79Å; M62-Y66 HydrophobicContact SD-CE2 3.64Å
63Y96.4Very high95.1Very high62 Ų6245.6 Ų45.624%0.24322%0.224CC..Hα-helixtrans-59.3-50.8171.9-179.7-89.3000111.6L59 A60 G61 K65 N67 I146 Y148 V327L59-Y63 PolarHBondContact O-N 3.29Å; L59-Y63 VanDerWaalsContact O-N 3.17Å; A60-Y63 PolarHBondContact O-N 3.18Å; G61-Y63 PolarHBondContact O-N 3.14Å; Y63-K65 VanDerWaalsContact C-N 3.29Å; Y63-K65 PolarHBondContact O-N 2.91Å; Y63-N67 HydrophobicContact CD2-CB 3.97Å; Y63-N67 HydrophobicContact CE2-CB 4Å; Y63-N67 WeakPolarHBondContact CE2-OD1 3.14Å; Y63-N67 HydrophobicContact CG-CB 4.33Å; Y63-N67 WeakPolarHBondContact O-CB 3.44Å; Y63-N67 PolarHBondContact O-N 3.28Å; Y63-N67 VanDerWaalsContact O-N 3.11Å; Y63-I146 HydrophobicContact CD1-CD1 4.21Å; Y63-I146 HydrophobicContact CD1-CG1 4.25Å; Y63-I146 HydrophobicContact CD1-CG2 3.72Å; Y63-I146 HydrophobicContact CE1-CG2 3.48Å; Y63-I146 VanDerWaalsContact CE1-CG2 3.48Å; Y63-Y148 HydrophobicContact CD1-CE1 4.11Å; Y63-Y148 AromaticContact CD1-CZ 3.97Å; Y63-Y148 WeakPolarHBondContact CD1-OH 3.47Å; Y63-Y148 AromaticContact CE1-CE1 3.71Å; Y63-Y148 HydrophobicContact CE1-CE1 3.71Å; Y63-Y148 AromaticContact CZ-CE1 3.95Å; Y63-V327 HydrophobicContact CD2-CB 4.14Å
64L95.7Very high95.4Very high71 Ų7147.9 Ų47.937%0.37225%0.247SC..Hα-helixtrans-60.2-38.8-178.1-177.861.4000112.5A60 G61 L142 Q145 I146A60-L64 PolarHBondContact O-N 2.99Å; G61-L64 PolarHBondContact O-N 3.43Å; L64-L142 HydrophobicContact CD2-CD2 3.85Å; L64-Q145 HydrophobicContact CD2-CB 4.08Å; L64-I146 HydrophobicContact CB-CD1 4.33Å; L64-I146 HydrophobicContact CB-CG1 3.85Å; L64-I146 HydrophobicContact CD1-CG1 3.84Å; L64-I146 HydrophobicContact CD2-CG1 4.45Å; L64-I146 HydrophobicContact CG-CG1 4.26Å
65K96.9Very high95.8Very high115 Ų11547 Ų4750%0.524%0.237SC..Hα-helixtrans-84.5-36-175-69.7179.1177-172.40114.1E36 G61 M62 Y63E36-K65 WeakPolarHBondContact OE1-CD 3.46Å; E36-K65 IonicContact OE1-NZ 2.71Å; E36-K65 PolarHBondContact OE1-NZ 3.02Å; E36-K65 IonicContact OE2-NZ 2.72Å; E36-K65 PolarHBondContact OE2-NZ 2.93Å; G61-K65 WeakPolarHBondContact O-CB 3.21Å; G61-K65 WeakPolarHBondContact O-CG 3.21Å; G61-K65 PolarHBondContact O-N 3.37Å; M62-K65 HydrophobicContact CE-CD 4.3Å; M62-K65 PolarHBondContact O-N 3.34Å; Y63-K65 VanDerWaalsContact C-N 3.29Å; Y63-K65 PolarHBondContact O-N 2.91Å
66Y98.2Very high96.2Very high17 Ų1748 Ų487%0.06724%0.241CC..Hα-helixtrans-121.9-6.7-164.4-61-72.5000115E36 I39 K40 V43 M62 E68 K69 A70E36-Y66 HydrophobicContact CG-CE2 4.04Å; E36-Y66 WeakPolarHBondContact CG-OH 3.49Å; E36-Y66 PolarHBondContact OE1-OH 3.35Å; I39-Y66 HydrophobicContact CG2-CD2 3.72Å; I39-Y66 HydrophobicContact CG2-CE2 4.09Å; I39-Y66 HydrophobicContact CG2-CG 4.01Å; K40-Y66 HydrophobicContact CB-CE1 4.13Å; K40-Y66 WeakPolarHBondContact CB-OH 3.4Å; K40-Y66 HydrophobicContact CG-CE1 4.19Å; V43-Y66 HydrophobicContact CB-CD1 4.42Å; V43-Y66 HydrophobicContact CG1-CD1 4.33Å; V43-Y66 HydrophobicContact CG2-CD1 4.47Å; M62-Y66 HydrophobicContact CE-CE2 4.1Å; M62-Y66 WeakPolarHBondContact O-CB 3.31Å; M62-Y66 PolarHBondContact O-N 2.82Å; M62-Y66 HydrophobicContact SD-CD2 3.79Å; M62-Y66 HydrophobicContact SD-CE2 3.64Å; Y66-E68 PolarHBondContact O-N 3.43Å; Y66-K69 PolarHBondContact O-N 2.82Å; Y66-A70 WeakPolarHBondContact O-CB 3.09Å; Y66-A70 PolarHBondContact O-N 3.24Å
67N97.7Very high96.6Very high37 Ų3746.5 Ų46.520%0.19823%0.231CC..Hα-helixtrans-57.7-49.2-176.5-173.571.9000113Y63 A71 V327Y63-N67 HydrophobicContact CD2-CB 3.97Å; Y63-N67 HydrophobicContact CE2-CB 4Å; Y63-N67 WeakPolarHBondContact CE2-OD1 3.14Å; Y63-N67 HydrophobicContact CG-CB 4.33Å; Y63-N67 WeakPolarHBondContact O-CB 3.44Å; Y63-N67 PolarHBondContact O-N 3.28Å; Y63-N67 VanDerWaalsContact O-N 3.11Å; N67-A71 VanDerWaalsContact O-CB 3.31Å; N67-A71 WeakPolarHBondContact O-CB 3.42Å; N67-A71 PolarHBondContact O-N 2.93Å; N67-A71 VanDerWaalsContact O-N 3.08Å; N67-V327 HydrophobicContact CB-CB 4.38Å; N67-V327 HydrophobicContact CB-CG2 4.17Å; N67-V327 PolarHBondContact OD1-N 3.36Å
68E97.6Very high97Very high153 Ų15345 Ų4572%0.71522%0.224SC*.Hα-helixtrans-66.6-48.8179.7-66.2175.9-179.100111.5Y66 A70 A71 E72Y66-E68 PolarHBondContact O-N 3.43Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 3.4Å; E68-A71 WeakPolarHBondContact O-CA 3.45Å; E68-A71 WeakPolarHBondContact O-CB 3.36Å; E68-A71 PolarHBondContact O-N 3.01Å; E68-A71 VanDerWaalsContact O-N 3.08Å; E68-E72 WeakPolarHBondContact O-CG 3.49Å; E68-E72 PolarHBondContact O-N 3.12Å
69K98.3Very high97.2Very high74 Ų7444.8 Ų44.832%0.32222%0.224SC..Hα-helixtrans-62.5-38.6-179.6-165.2176.4-174.7170.40112.7V43 E44 Y66 A71 K73V43-K69 HydrophobicContact CG1-CB 3.93Å; V43-K69 HydrophobicContact CG1-CD 3.93Å; V43-K69 HydrophobicContact CG1-CG 3.68Å; E44-K69 IonicContact OE1-NZ 3.26Å; E44-K69 PolarHBondContact OE1-NZ 3.21Å; Y66-K69 PolarHBondContact O-N 2.82Å; K69-A71 VanDerWaalsContact C-N 3.34Å; K69-K73 WeakPolarHBondContact O-CB 3.49Å; K69-K73 VanDerWaalsContact O-CG 3.23Å; K69-K73 WeakPolarHBondContact O-CG 3.43Å; K69-K73 PolarHBondContact O-N 3.31Å; K69-K73 VanDerWaalsContact O-N 3.08Å
70A98.6Very high97.3Very high0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-67-37.417500000111.5V43 Y66 E68 K73 G74 V75 V77V43-A70 HydrophobicContact CG1-CB 4.32Å; V43-A70 HydrophobicContact CG2-CB 4.13Å; Y66-A70 WeakPolarHBondContact O-CB 3.09Å; Y66-A70 PolarHBondContact O-N 3.24Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 3.4Å; A70-K73 PolarHBondContact O-N 2.84Å; A70-G74 PolarHBondContact O-N 3.18Å; A70-V75 HydrophobicContact CB-CG2 4.04Å; A70-V75 PolarHBondContact O-N 2.8Å; A70-V77 HydrophobicContact CB-CG2 4.46Å
71A98.2Very high97.5Very high15 Ų1544 Ų4412%0.12422%0.219CC..Hα-helixtrans-65-44174.800000112.9N67 E68 K69 K73 G74 Q324 G325N67-A71 VanDerWaalsContact O-CB 3.31Å; N67-A71 WeakPolarHBondContact O-CB 3.42Å; N67-A71 PolarHBondContact O-N 2.93Å; N67-A71 VanDerWaalsContact O-N 3.08Å; E68-A71 WeakPolarHBondContact O-CA 3.45Å; E68-A71 WeakPolarHBondContact O-CB 3.36Å; E68-A71 PolarHBondContact O-N 3.01Å; E68-A71 VanDerWaalsContact O-N 3.08Å; K69-A71 VanDerWaalsContact C-N 3.34Å; A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 2.96Å; A71-G74 PolarHBondContact O-N 3.22Å; A71-Q324 HydrophobicContact CB-CG 3.84Å; A71-G325 VanDerWaalsContact CA-C 3.45Å; A71-G325 WeakPolarHBondContact CA-O 3.32Å; A71-G325 WeakPolarHBondContact CB-O 3.4Å
72E98.1Very high97.6Very high155 Ų15543.6 Ų43.672%0.72422%0.215SC*.Hα-helixtrans-62.1-37.9174.4-71.4174.7178.500112.6E68 G74E68-E72 WeakPolarHBondContact O-CG 3.49Å; E68-E72 PolarHBondContact O-N 3.12Å; E72-G74 VanDerWaalsContact C-N 3.33Å
73K97.7Very high97.4Very high115 Ų11544.2 Ų44.250%0.522%0.217SC..Hα-helixtrans-82.9-8.9-179.7-69.4-74.5-176.1177.20113.7V43 K69 A70 A71 V75V43-K73 WeakPolarHBondContact O-CG 3.07Å; K69-K73 WeakPolarHBondContact O-CB 3.49Å; K69-K73 VanDerWaalsContact O-CG 3.23Å; K69-K73 WeakPolarHBondContact O-CG 3.43Å; K69-K73 PolarHBondContact O-N 3.31Å; K69-K73 VanDerWaalsContact O-N 3.08Å; A70-K73 PolarHBondContact O-N 2.84Å; A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 2.96Å; K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 HydrophobicContact CB-CG1 4.4Å; K73-V75 HydrophobicContact CB-CG2 4.04Å; K73-V75 PolarHBondContact O-N 3.25Å
74G97.8Very high96.8Very high47 Ų4744.3 Ų44.349%0.48522%0.222SC..THydrogen-bonded Turntrans65.827.7-176.400000113.6A70 A71 E72A70-G74 PolarHBondContact O-N 3.18Å; A71-G74 PolarHBondContact O-N 3.22Å; E72-G74 VanDerWaalsContact C-N 3.33Å
75V98.5Very high96.7Very high6 Ų640.9 Ų40.94%0.03620%0.204CC..  trans-110.8154.1179.1-60.60000111.3V43 A70 K73 G325 G326V43-V75 HydrophobicContact CG2-CG2 4.33Å; A70-V75 HydrophobicContact CB-CG2 4.04Å; A70-V75 PolarHBondContact O-N 2.8Å; K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 HydrophobicContact CB-CG1 4.4Å; K73-V75 HydrophobicContact CB-CG2 4.04Å; K73-V75 PolarHBondContact O-N 3.25Å; V75-G325 CarbonylContact O-C 3.41Å; V75-G325 WeakPolarHBondContact O-CA 3.49Å; V75-G326 PolarHBondContact O-N 2.68Å
76Y98.7Very high96.8Very high35 Ų3535.4 Ų35.414%0.13718%0.181CC..EExtended strand (participates in β ladder)trans-110.2130.8-176.7-61.3-92.4000110.6S48 C49 L321 P322 Q324 Y328S48-Y76 CarbonylContact C-O 3.53Å; S48-Y76 WeakPolarHBondContact CA-O 3.32Å; S48-Y76 WeakPolarHBondContact CB-O 3.43Å; S48-Y76 PolarHBondContact OG-N 3.02Å; C49-Y76 PolarHBondContact N-O 2.86Å; Y76-L321 HydrophobicContact CD2-CD1 4.36Å; Y76-L321 HydrophobicContact CE1-CB 4.17Å; Y76-L321 HydrophobicContact CE1-CD1 4.39Å; Y76-L321 HydrophobicContact CE2-CD1 4.07Å; Y76-P322 HydrophobicContact CE1-CB 4.32Å; Y76-P322 PolarHBondContact OH-O 2.84Å; Y76-Q324 VanDerWaalsContact CE1-O 3.25Å; Y76-Q324 WeakPolarHBondContact CE1-O 3.36Å; Y76-Y328 AromaticContact CD1-CD2 3.99Å; Y76-Y328 HydrophobicContact CD1-CD2 3.99Å; Y76-Y328 AromaticContact CD1-CE2 3.8Å; Y76-Y328 HydrophobicContact CD1-CE2 3.8Å; Y76-Y328 HydrophobicContact CE1-CE2 4.15Å
77V98.6Very high96.8Very high2 Ų234.7 Ų34.71%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-113108.3168.5-179.60000107.5I39 V43 C49 A70 G326 V327 Y328I39-V77 HydrophobicContact CD1-CG1 3.98Å; I39-V77 HydrophobicContact CG1-CG1 4.17Å; I39-V77 HydrophobicContact CG2-CG1 4.11Å; I39-V77 HydrophobicContact CG2-CG2 4.13Å; V43-V77 HydrophobicContact CG2-CG2 3.63Å; C49-V77 CarbonylContact O-C 3.42Å; C49-V77 VanDerWaalsContact O-CA 3.31Å; C49-V77 WeakPolarHBondContact O-CA 3.44Å; A70-V77 HydrophobicContact CB-CG2 4.46Å; V77-G326 PolarHBondContact N-O 3.48Å; V77-V327 HydrophobicContact CB-CB 4.36Å; V77-V327 HydrophobicContact CB-CG1 4.2Å; V77-V327 HydrophobicContact CB-CG2 3.99Å; V77-V327 HydrophobicContact CG1-CG1 4.1Å; V77-V327 HydrophobicContact CG1-CG2 4.44Å; V77-V327 HydrophobicContact CG2-CG2 4.44Å; V77-V327 CarbonylContact O-C 3.43Å; V77-V327 VanDerWaalsContact O-CA 3.25Å; V77-V327 WeakPolarHBondContact O-CA 3.3Å; V77-Y328 PolarHBondContact O-N 2.97Å
78I98.3Very high96.8Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-115.4109.8-176.9-44.7175.5000109C49 I50 D51 C81 L314 Y328 A333 F334C49-I78 PolarHBondContact O-N 3.23Å; I50-I78 WeakPolarHBondContact CA-O 3.33Å; I50-I78 HydrophobicContact CG1-CB 4.19Å; D51-I78 PolarHBondContact N-O 3.16Å; D51-I78 VanDerWaalsContact N-O 3.14Å; I78-C81 VanDerWaalsContact CG2-SG 3.54Å; I78-L314 HydrophobicContact CD1-CD1 3.77Å; I78-L314 HydrophobicContact CG1-CD1 4.5Å; I78-Y328 WeakPolarHBondContact CA-O 3.35Å; I78-A333 HydrophobicContact CD1-CB 3.55Å; I78-A333 HydrophobicContact CG1-CB 4.1Å; I78-A333 HydrophobicContact CG2-CB 4.14Å; I78-F334 HydrophobicContact CD1-CE1 3.84Å; I78-F334 HydrophobicContact CD1-CE2 3.84Å; I78-F334 HydrophobicContact CD1-CZ 3.3Å; I78-F334 HydrophobicContact CG2-CE2 3.96Å; I78-F334 HydrophobicContact CG2-CZ 4.47Å
79G96.6Very high96.9Very high3 Ų325.7 Ų25.73%0.03114%0.135CC..  trans-87159.7179.800000112.8D51 C81 Y328 P330D51-G79 VanDerWaalsContact OD1-CA 3.24Å; D51-G79 WeakPolarHBondContact OD1-CA 3.1Å; D51-G79 WeakPolarHBondContact OD2-CA 3.39Å; G79-C81 PolarHBondContact O-N 3.1Å; G79-Y328 PolarHBondContact N-O 3.13Å; G79-P330 VanDerWaalsContact O-CD 3.27Å; G79-P330 WeakPolarHBondContact O-CD 3.26Å; G79-P330 WeakPolarHBondContact O-CG 3.35Å
80S96.5Very high96.9Very high1 Ų122.3 Ų22.31%0.00712%0.12CC..  trans63.635.2173-45.30000114.9D51 S53 L59 G82 P330D51-S80 PolarHBondContact O-N 3.02Å; D51-S80 PolarHBondContact OD1-N 2.91Å; S53-S80 WeakPolarHBondContact O-CA 3.34Å; S53-S80 WeakPolarHBondContact O-CB 3.24Å; S53-S80 PolarHBondContact O-OG 2.94Å; L59-S80 WeakPolarHBondContact CD1-OG 3.5Å; S80-G82 PolarHBondContact O-N 3.33Å; S80-G82 VanDerWaalsContact O-N 3.08Å; S80-P330 WeakPolarHBondContact O-CG 3.38Å
81C97.5Very high96.9Very high0 Ų022.3 Ų22.30%012%0.12CC..  trans-81.834.3175.4-66.50000113.7I50 D51 I78 G79 I86 A306 M307 A310I50-C81 HydrophobicContact CG2-CB 3.35Å; D51-C81 WeakPolarHBondContact O-CA 3.45Å; D51-C81 WeakPolarHBondContact O-CB 3.44Å; D51-C81 PolarHBondContact O-N 3.13Å; I78-C81 VanDerWaalsContact CG2-SG 3.54Å; G79-C81 PolarHBondContact O-N 3.1Å; C81-I86 HydrophobicContact CB-CD1 3.89Å; C81-A306 CarbonylContact O-C 3.56Å; C81-M307 WeakPolarHBondContact O-CA 3.26Å; C81-M307 WeakPolarHBondContact O-CB 3.42Å; C81-M307 PolarHBondContact O-N 2.94Å; C81-M307 VanDerWaalsContact O-N 3.11Å; C81-A310 HydrophobicContact CB-CB 4.02Å
82G96.3Very high96.9Very high1 Ų121.6 Ų21.61%0.0111%0.114CC..SBendtrans-115.9-167.9172.800000111.9S80 D84 S85 I86S80-G82 PolarHBondContact O-N 3.33Å; S80-G82 VanDerWaalsContact O-N 3.08Å; G82-D84 PolarHBondContact O-N 2.84Å; G82-S85 PolarHBondContact O-N 3.18Å; G82-I86 WeakPolarHBondContact O-CB 3.46Å; G82-I86 PolarHBondContact O-N 2.94Å
83F94.4Very high97Very high19 Ų1914.3 Ų14.38%0.0838%0.08CC..THydrogen-bonded Turntrans-58.3-31.9171.9174.7-92.9000112.6S85 P87 L110 F265 P298 T303F83-S85 PolarHBondContact O-N 3.17Å; F83-P87 HydrophobicContact CD2-CG 3.77Å; F83-P87 HydrophobicContact CE2-CG 4.12Å; F83-P87 VanDerWaalsContact O-CD 3.3Å; F83-P87 WeakPolarHBondContact O-CD 3.37Å; F83-L110 HydrophobicContact CE1-CD2 4.19Å; F83-L110 HydrophobicContact CZ-CD1 3.75Å; F83-L110 HydrophobicContact CZ-CD2 4Å; F83-F265 AromaticContact CD2-CD1 3.87Å; F83-F265 HydrophobicContact CD2-CD1 3.87Å; F83-F265 AromaticContact CD2-CE1 3.77Å; F83-F265 HydrophobicContact CD2-CE1 3.77Å; F83-F265 HydrophobicContact CD2-CE2 4.47Å; F83-F265 HydrophobicContact CD2-CG 4.29Å; F83-F265 HydrophobicContact CD2-CZ 4.09Å; F83-F265 HydrophobicContact CE2-CB 4.07Å; F83-F265 AromaticContact CE2-CD1 3.46Å; F83-F265 HydrophobicContact CE2-CD1 3.46Å; F83-F265 VanDerWaalsContact CE2-CD1 3.46Å; F83-F265 AromaticContact CE2-CD2 3.61Å; F83-F265 HydrophobicContact CE2-CD2 3.61Å; F83-F265 AromaticContact CE2-CE1 3.71Å; F83-F265 HydrophobicContact CE2-CE1 3.71Å; F83-F265 AromaticContact CE2-CE2 3.83Å; F83-F265 HydrophobicContact CE2-CE2 3.83Å; F83-F265 AromaticContact CE2-CG 3.43Å; F83-F265 HydrophobicContact CE2-CG 3.43Å; F83-F265 VanDerWaalsContact CE2-CG 3.43Å; F83-F265 AromaticContact CE2-CZ 3.89Å; F83-F265 HydrophobicContact CE2-CZ 3.89Å; F83-F265 HydrophobicContact CZ-CB 4.33Å; F83-F265 HydrophobicContact CZ-CD1 4.45Å; F83-F265 HydrophobicContact CZ-CD2 4.37Å; F83-F265 HydrophobicContact CZ-CG 4.15Å; F83-P298 HydrophobicContact CB-CB 4.36Å; F83-P298 WeakPolarHBondContact CB-O 3.38Å; F83-P298 HydrophobicContact CD1-CB 3.64Å; F83-P298 HydrophobicContact CD2-CB 3.8Å; F83-P298 HydrophobicContact CD2-CG 4.39Å; F83-P298 HydrophobicContact CE1-CB 3.81Å; F83-P298 HydrophobicContact CE1-CG 4.29Å; F83-P298 HydrophobicContact CE2-CB 3.99Å; F83-P298 HydrophobicContact CE2-CG 4.13Å; F83-P298 HydrophobicContact CG-CB 3.63Å; F83-P298 HydrophobicContact CZ-CB 3.98Å; F83-P298 HydrophobicContact CZ-CG 4.07Å; F83-T303 WeakPolarHBondContact CB-OG1 3.44Å; F83-T303 PolarHBondContact N-OG1 3.45Å
84D83.3Confident97Very high64 Ų6410.1 Ų10.134%0.3426%0.061SC..THydrogen-bonded Turntrans-60.2-6.7-178.7-78.1-0.4000114.7G82 S180G82-D84 PolarHBondContact O-N 2.84Å; D84-S180 PolarHBondContact O-OG 2.9Å
85S94.1Very high97Very high0 Ų07.9 Ų7.90%04%0.038CC..THydrogen-bonded Turntrans-159.1-26.5168.6-73.50000117.1G82 F83 A88 D89 S180 V184G82-S85 PolarHBondContact O-N 3.18Å; F83-S85 PolarHBondContact O-N 3.17Å; S85-A88 PolarHBondContact O-N 3Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-D89 VanDerWaalsContact O-CB 3.31Å; S85-D89 WeakPolarHBondContact O-CB 3.29Å; S85-D89 PolarHBondContact O-N 3.36Å; S85-S180 PolarHBondContact OG-OG 3.34Å; S85-V184 WeakPolarHBondContact OG-CB 3.4Å; S85-V184 VanDerWaalsContact OG-CG2 3.25Å; S85-V184 WeakPolarHBondContact OG-CG2 3.25Å
86I98.1Very high97Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-56.9-48.7-176.5-85.3178.2000112.5C81 G82 A88 D89 M90 A306 A310 P330 L339 L343C81-I86 HydrophobicContact CB-CD1 3.89Å; G82-I86 WeakPolarHBondContact O-CB 3.46Å; G82-I86 PolarHBondContact O-N 2.94Å; I86-A88 VanDerWaalsContact C-N 3.26Å; I86-A88 PolarHBondContact O-N 3.35Å; I86-D89 PolarHBondContact O-N 3.37Å; I86-M90 HydrophobicContact CG2-CG 4.12Å; I86-M90 VanDerWaalsContact O-CB 3.23Å; I86-M90 WeakPolarHBondContact O-CB 3.28Å; I86-M90 VanDerWaalsContact O-CG 3.3Å; I86-M90 WeakPolarHBondContact O-CG 3.44Å; I86-M90 PolarHBondContact O-N 3.01Å; I86-A306 HydrophobicContact CB-CB 4.23Å; I86-A306 HydrophobicContact CD1-CB 3.83Å; I86-A306 HydrophobicContact CG2-CB 4.14Å; I86-A310 HydrophobicContact CD1-CB 4.05Å; I86-P330 HydrophobicContact CG1-CB 3.9Å; I86-P330 HydrophobicContact CG1-CG 4.13Å; I86-L339 HydrophobicContact CD1-CD2 4.43Å; I86-L343 HydrophobicContact CG2-CD1 3.64Å; I86-L343 HydrophobicContact CG2-CD2 4.45Å
87P98.3Very high96.9Very high1 Ų112 Ų121%0.0066%0.06CC..Hα-helixtrans-56.4-40.9177-26.535.7000112.5F83 G91 F265 M267 F269 V293F83-P87 HydrophobicContact CD2-CG 3.77Å; F83-P87 HydrophobicContact CE2-CG 4.12Å; F83-P87 VanDerWaalsContact O-CD 3.3Å; F83-P87 WeakPolarHBondContact O-CD 3.37Å; P87-G91 VanDerWaalsContact O-CA 3.29Å; P87-G91 WeakPolarHBondContact O-CA 3.23Å; P87-G91 PolarHBondContact O-N 3.06Å; P87-F265 HydrophobicContact CB-CE2 4.24Å; P87-F265 HydrophobicContact CB-CZ 4.45Å; P87-F265 HydrophobicContact CG-CE2 4.38Å; P87-F265 HydrophobicContact CG-CZ 4.15Å; P87-M267 VanDerWaalsContact C-CE 3.42Å; P87-M267 HydrophobicContact CB-CE 3.96Å; P87-F269 WeakPolarHBondContact O-CZ 3.47Å; P87-V293 HydrophobicContact CB-CG1 4.23Å
88A98.4Very high96.8Very high1 Ų116.7 Ų16.71%0.0088%0.08CC..Hα-helixtrans-71.5-51.4-178.400000112.7S85 I86 G91 V92 D181 V185 Y203 M267S85-A88 PolarHBondContact O-N 3Å; S85-A88 VanDerWaalsContact O-N 3.12Å; I86-A88 VanDerWaalsContact C-N 3.26Å; I86-A88 PolarHBondContact O-N 3.35Å; A88-G91 PolarHBondContact O-N 2.81Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.48Å; A88-D181 HydrophobicContact CB-CB 3.89Å; A88-D181 VanDerWaalsContact CB-CG 3.47Å; A88-D181 VanDerWaalsContact CB-OD2 3.28Å; A88-D181 WeakPolarHBondContact CB-OD2 3.37Å; A88-V185 HydrophobicContact CB-CG2 4.29Å; A88-Y203 WeakPolarHBondContact CB-OH 3.42Å; A88-M267 HydrophobicContact CB-CE 3.58Å
89D98.3Very high96.7Very high0 Ų017.2 Ų17.20%08%0.083CC..Hα-helixtrans-68.4-50.8-174.7-150.77000110.7S85 I86 G91 V92 L93 V185 S188 G331S85-D89 VanDerWaalsContact O-CB 3.31Å; S85-D89 WeakPolarHBondContact O-CB 3.29Å; S85-D89 PolarHBondContact O-N 3.36Å; I86-D89 PolarHBondContact O-N 3.37Å; D89-G91 VanDerWaalsContact C-N 3.29Å; D89-G91 PolarHBondContact O-N 3.43Å; D89-V92 PolarHBondContact O-N 3.04Å; D89-L93 WeakPolarHBondContact O-CG 3.14Å; D89-L93 PolarHBondContact O-N 2.85Å; D89-V185 HydrophobicContact CB-CG2 4.29Å; D89-S188 WeakPolarHBondContact OD1-CB 3.32Å; D89-S188 PolarHBondContact OD1-OG 2.96Å; D89-S188 PolarHBondContact OD2-OG 3.25Å; D89-G331 WeakPolarHBondContact OD2-CA 3.38Å; D89-G331 PolarHBondContact OD2-N 3.13Å
90M98.8Very high96.5Very high3 Ų325 Ų252%0.01512%0.116CC..Hα-helixtrans-68.9-28.9176.4-54.9-52.3-6400112I86 L93 Y94 F334 L339 I340 F350I86-M90 HydrophobicContact CG2-CG 4.12Å; I86-M90 VanDerWaalsContact O-CB 3.23Å; I86-M90 WeakPolarHBondContact O-CB 3.28Å; I86-M90 VanDerWaalsContact O-CG 3.3Å; I86-M90 WeakPolarHBondContact O-CG 3.44Å; I86-M90 PolarHBondContact O-N 3.01Å; M90-L93 HydrophobicContact CE-CD1 4.15Å; M90-L93 PolarHBondContact O-N 2.85Å; M90-L93 HydrophobicContact SD-CD1 4.1Å; M90-Y94 WeakPolarHBondContact O-CB 3.25Å; M90-Y94 PolarHBondContact O-N 2.81Å; M90-F334 HydrophobicContact CE-CB 4.2Å; M90-F334 HydrophobicContact SD-CB 4.29Å; M90-L339 HydrophobicContact CE-CB 4.27Å; M90-L339 HydrophobicContact CE-CD2 4.19Å; M90-L339 HydrophobicContact CE-CG 4.49Å; M90-L339 HydrophobicContact CG-CD2 4.21Å; M90-L339 HydrophobicContact SD-CD2 4.09Å; M90-I340 HydrophobicContact CB-CD1 4.42Å; M90-I340 HydrophobicContact CB-CG1 4.12Å; M90-I340 HydrophobicContact CE-CD1 4.02Å; M90-I340 HydrophobicContact CE-CG1 3.78Å; M90-F350 HydrophobicContact CB-CE1 3.97Å; M90-F350 HydrophobicContact CB-CZ 4.01Å
91G98.7Very high96.4Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-69-35.4176.600000113.3P87 A88 D89 T95P87-G91 VanDerWaalsContact O-CA 3.29Å; P87-G91 WeakPolarHBondContact O-CA 3.23Å; P87-G91 PolarHBondContact O-N 3.06Å; A88-G91 PolarHBondContact O-N 2.81Å; D89-G91 VanDerWaalsContact C-N 3.29Å; D89-G91 PolarHBondContact O-N 3.43Å; G91-T95 WeakPolarHBondContact O-CB 3.44Å; G91-T95 PolarHBondContact O-N 3.42Å; G91-T95 PolarHBondContact O-OG1 3.07Å
92V98.8Very high96.3Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-64.3-44.1170.6170.40000110.8A88 D89 T95 R96 V106 V185 V201 Y203 F269A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.48Å; D89-V92 PolarHBondContact O-N 3.04Å; V92-T95 PolarHBondContact O-N 2.74Å; V92-R96 PolarHBondContact O-N 3.35Å; V92-V106 HydrophobicContact CG2-CG1 4.18Å; V92-V185 HydrophobicContact CG1-CG1 4.46Å; V92-V185 HydrophobicContact CG2-CG1 4.1Å; V92-V185 HydrophobicContact CG2-CG2 4.5Å; V92-V201 HydrophobicContact CG1-CB 4.16Å; V92-V201 HydrophobicContact CG1-CG1 4.11Å; V92-V201 HydrophobicContact CG1-CG2 4.45Å; V92-Y203 HydrophobicContact CG2-CD2 3.58Å; V92-Y203 HydrophobicContact CG2-CE2 3.58Å; V92-Y203 HydrophobicContact CG2-CG 4.34Å; V92-F269 HydrophobicContact CG2-CD1 4.4Å; V92-F269 HydrophobicContact CG2-CE1 4.22Å
93L98.6Very high96.4Very high2 Ų228.4 Ų28.41%0.0114%0.144CC..Hα-helixtrans-63.6-46.4176.8-58.7-179.3000111.8D89 M90 T95 R96 D97 L192D89-L93 WeakPolarHBondContact O-CG 3.14Å; D89-L93 PolarHBondContact O-N 2.85Å; M90-L93 HydrophobicContact CE-CD1 4.15Å; M90-L93 PolarHBondContact O-N 2.85Å; M90-L93 HydrophobicContact SD-CD1 4.1Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 2.94Å; L93-R96 WeakPolarHBondContact O-CB 3.36Å; L93-R96 PolarHBondContact O-N 3.39Å; L93-D97 WeakPolarHBondContact O-CB 3.3Å; L93-D97 PolarHBondContact O-N 2.95Å; L93-L192 HydrophobicContact CD2-CD1 3.45Å; L93-L192 VanDerWaalsContact CD2-CD1 3.45Å
94Y98.7Very high96.5Very high27 Ų2727.5 Ų27.511%0.10614%0.14CC..Hα-helixtrans-57.1-45.6175-177-94.9000111.5M90 R96 D97 K98 T291 I340 F350 S351 V352M90-Y94 WeakPolarHBondContact O-CB 3.25Å; M90-Y94 PolarHBondContact O-N 2.81Å; Y94-R96 VanDerWaalsContact C-N 3.32Å; Y94-R96 PolarHBondContact O-N 2.71Å; Y94-D97 PolarHBondContact O-N 3.39Å; Y94-K98 HydrophobicContact CD1-CG 4.1Å; Y94-K98 HydrophobicContact CD2-CG 4.5Å; Y94-K98 HydrophobicContact CE1-CG 3.73Å; Y94-K98 HydrophobicContact CE2-CD 4.46Å; Y94-K98 HydrophobicContact CE2-CG 4.21Å; Y94-K98 HydrophobicContact CG-CG 4.47Å; Y94-K98 VanDerWaalsContact CZ-CE 3.48Å; Y94-K98 VanDerWaalsContact O-CG 3.28Å; Y94-K98 WeakPolarHBondContact O-CG 3.23Å; Y94-K98 PolarHBondContact O-N 2.84Å; Y94-T291 HydrophobicContact CD1-CG2 4.1Å; Y94-T291 HydrophobicContact CE1-CG2 4.1Å; Y94-I340 HydrophobicContact CD2-CD1 4.36Å; Y94-I340 HydrophobicContact CD2-CG2 4.06Å; Y94-F350 HydrophobicContact CD1-CB 4.22Å; Y94-F350 HydrophobicContact CD1-CD1 4.35Å; Y94-F350 HydrophobicContact CD2-CB 3.76Å; Y94-F350 HydrophobicContact CD2-CD1 4.1Å; Y94-F350 HydrophobicContact CD2-CG 4.29Å; Y94-F350 HydrophobicContact CE1-CB 4.15Å; Y94-F350 HydrophobicContact CE2-CB 3.62Å; Y94-F350 HydrophobicContact CG-CB 4.03Å; Y94-F350 AromaticContact CG-CD1 3.83Å; Y94-F350 HydrophobicContact CG-CD1 3.83Å; Y94-F350 HydrophobicContact CG-CG 4.39Å; Y94-F350 PolarHBondContact OH-O 3.37Å; Y94-F350 VanDerWaalsContact OH-O 3.07Å; Y94-S351 WeakPolarHBondContact OH-CA 3.46Å; Y94-V352 HydrophobicContact CE1-CG2 4.3Å
95T98.5Very high97.2Very high0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-60.1-43.6178.2-57.60000111.7G91 V92 L93 K98 L99 L103 V106 I289 T291G91-T95 WeakPolarHBondContact O-CB 3.44Å; G91-T95 PolarHBondContact O-N 3.42Å; G91-T95 PolarHBondContact O-OG1 3.07Å; V92-T95 PolarHBondContact O-N 2.74Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 2.94Å; T95-K98 PolarHBondContact O-N 2.71Å; T95-L99 PolarHBondContact O-N 2.8Å; T95-L99 VanDerWaalsContact O-N 3.13Å; T95-L103 HydrophobicContact CG2-CD1 4.4Å; T95-L103 HydrophobicContact CG2-CD2 3.85Å; T95-V106 HydrophobicContact CG2-CG2 4.26Å; T95-I289 HydrophobicContact CG2-CG2 3.57Å; T95-T291 HydrophobicContact CG2-CG2 4.16Å; T95-T291 PolarHBondContact OG1-OG1 3.14Å
96R97.6Very high97.4Very high34 Ų3424.7 Ų24.713%0.12813%0.125CC..Hα-helixtrans-61.1-49.5176-179-169.562.9-168.45.4111.2V92 L93 Y94 K98 L99 L103 E198V92-R96 PolarHBondContact O-N 3.35Å; L93-R96 WeakPolarHBondContact O-CB 3.36Å; L93-R96 PolarHBondContact O-N 3.39Å; Y94-R96 VanDerWaalsContact C-N 3.32Å; Y94-R96 PolarHBondContact O-N 2.71Å; R96-K98 PolarHBondContact O-N 2.82Å; R96-L99 PolarHBondContact O-N 2.99Å; R96-L99 VanDerWaalsContact O-N 3.14Å; R96-L103 VanDerWaalsContact CA-CD2 3.44Å; R96-L103 HydrophobicContact CB-CB 4.35Å; R96-L103 HydrophobicContact CB-CD2 3.72Å; R96-L103 HydrophobicContact CG-CB 4.27Å; R96-L103 HydrophobicContact CG-CD2 4.49Å; R96-E198 IonicContact CZ-OE2 2.86Å; R96-E198 VanDerWaalsContact CZ-OE2 3.26Å; R96-E198 IonicContact NH1-OE2 3.45Å; R96-E198 PolarHBondContact NH1-OE2 3.44Å; R96-E198 IonicContact NH2-OE2 2.66Å; R96-E198 PolarHBondContact NH2-OE2 3.3Å
97D96.6Very high97.4Very high94 Ų9425.7 Ų25.750%0.50313%0.13SC..Hα-helixtrans-70-18.5-174.5-59.7-8.9000112.3L93 Y94L93-D97 WeakPolarHBondContact O-CB 3.3Å; L93-D97 PolarHBondContact O-N 2.95Å; Y94-D97 PolarHBondContact O-N 3.39Å
98K97.1Very high97.4Very high100 Ų10025.7 Ų25.744%0.43513%0.13SC..Hα-helixtrans-92.8-17173.5-63.6-53.9177.8-1670114.3Y94 T95 R96 I289 V352Y94-K98 HydrophobicContact CD1-CG 4.1Å; Y94-K98 HydrophobicContact CD2-CG 4.5Å; Y94-K98 HydrophobicContact CE1-CG 3.73Å; Y94-K98 HydrophobicContact CE2-CD 4.46Å; Y94-K98 HydrophobicContact CE2-CG 4.21Å; Y94-K98 HydrophobicContact CG-CG 4.47Å; Y94-K98 VanDerWaalsContact CZ-CE 3.48Å; Y94-K98 VanDerWaalsContact O-CG 3.28Å; Y94-K98 WeakPolarHBondContact O-CG 3.23Å; Y94-K98 PolarHBondContact O-N 2.84Å; T95-K98 PolarHBondContact O-N 2.71Å; R96-K98 PolarHBondContact O-N 2.82Å; K98-I289 HydrophobicContact CB-CD1 3.68Å; K98-V352 HydrophobicContact CB-CG2 3.97Å; K98-V352 HydrophobicContact CD-CG2 4.32Å; K98-V352 HydrophobicContact CG-CG2 3.83Å
99L95.6Very high97.4Very high11 Ų1125.7 Ų25.76%0.05813%0.129CC..SBendtrans-79.3125.7175.5-174.5145.1000109.6T95 R96 G101 L103 V287 I289T95-L99 PolarHBondContact O-N 2.8Å; T95-L99 VanDerWaalsContact O-N 3.13Å; R96-L99 PolarHBondContact O-N 2.99Å; R96-L99 VanDerWaalsContact O-N 3.14Å; L99-G101 VanDerWaalsContact CD2-C 3.45Å; L99-G101 PolarHBondContact O-N 3.24Å; L99-L103 HydrophobicContact CB-CB 4.5Å; L99-L103 HydrophobicContact CD1-CB 4.28Å; L99-L103 HydrophobicContact CD1-CD1 3.75Å; L99-L103 HydrophobicContact CD2-CB 4.44Å; L99-V287 HydrophobicContact CD1-CG1 3.95Å; L99-V287 HydrophobicContact CG-CG1 4.07Å; L99-I289 HydrophobicContact CB-CD1 4.4Å; L99-I289 HydrophobicContact CB-CG2 4.27Å; L99-I289 HydrophobicContact CD1-CB 4.4Å; L99-I289 HydrophobicContact CD1-CG2 3.84Å
100K92.3Very high97.4Very high167 Ų16726.4 Ų26.473%0.72613%0.133SC*.SBendtrans-79.8107.4170.1-66.4-173.7177.6-172.80109.2
101G93.9Very high97.3Very high34 Ų3427 Ų2735%0.35114%0.137SC..SBendtrans121.4-146.9-173.900000111.9L99 Y274L99-G101 VanDerWaalsContact CD2-C 3.45Å; L99-G101 PolarHBondContact O-N 3.24Å; G101-Y274 CarbonylContact C-O 3.49Å; G101-Y274 WeakPolarHBondContact CA-O 3.34Å
102T96Very high97.2Very high37 Ų3729.6 Ų29.623%0.22715%0.153CC..EExtended strand (participates in β ladder)trans-114.1109.5-176.5-53.70000111.3T104 T199 G273 Y274 P280T102-T104 HydrophobicContact CG2-CG2 4.16Å; T102-T199 HydrophobicContact CG2-CG2 3.71Å; T102-G273 CarbonylContact O-C 3.27Å; T102-G273 WeakPolarHBondContact O-CA 3.29Å; T102-Y274 PolarHBondContact N-O 3.48Å; T102-Y274 PolarHBondContact O-N 3.27Å; T102-P280 HydrophobicContact CG2-CG 3.92Å
103L97.4Very high97.1Very high3 Ų335.9 Ų35.92%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-74.4130.7172-176.770.6000109.6T95 R96 L99 V106 V201T95-L103 HydrophobicContact CG2-CD1 4.4Å; T95-L103 HydrophobicContact CG2-CD2 3.85Å; R96-L103 VanDerWaalsContact CA-CD2 3.44Å; R96-L103 HydrophobicContact CB-CB 4.35Å; R96-L103 HydrophobicContact CB-CD2 3.72Å; R96-L103 HydrophobicContact CG-CB 4.27Å; R96-L103 HydrophobicContact CG-CD2 4.49Å; L99-L103 HydrophobicContact CB-CB 4.5Å; L99-L103 HydrophobicContact CD1-CB 4.28Å; L99-L103 HydrophobicContact CD1-CD1 3.75Å; L99-L103 HydrophobicContact CD2-CB 4.44Å; L103-V106 HydrophobicContact CD1-CG2 4.05Å; L103-V106 HydrophobicContact CD2-CG2 3.58Å; L103-V106 HydrophobicContact CG-CG2 4.07Å; L103-V201 HydrophobicContact CB-CG2 4.47Å; L103-V201 HydrophobicContact CD2-CG1 4.28Å; L103-V201 HydrophobicContact CD2-CG2 4.09Å; L103-V201 HydrophobicContact CG-CG1 4.33Å; L103-V201 HydrophobicContact CG-CG2 4.17Å
104T97.3Very high96.9Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-124.7-21.8-176.557.50000113.9T102 V154 Q202 E272 Y274 P280T102-T104 HydrophobicContact CG2-CG2 4.16Å; T104-V154 HydrophobicContact CG2-CG1 4.14Å; T104-Q202 WeakPolarHBondContact O-CB 3.34Å; T104-Q202 PolarHBondContact O-N 3.3Å; T104-E272 PolarHBondContact N-O 2.74Å; T104-E272 PolarHBondContact OG1-O 2.74Å; T104-Y274 HydrophobicContact CG2-CD2 3.79Å; T104-Y274 HydrophobicContact CG2-CE2 3.84Å; T104-P280 HydrophobicContact CG2-CB 4.08Å; T104-P280 HydrophobicContact CG2-CG 4.46Å
105A97.8Very high96.7Very high4 Ų437.7 Ų37.73%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-144.9141.3-17900000111.1L158 Q202 G271 E272A105-L158 HydrophobicContact CB-CB 4.3Å; A105-L158 HydrophobicContact CB-CD1 4.26Å; A105-Q202 CarbonylContact C-O 3.49Å; A105-Q202 WeakPolarHBondContact CA-O 3.31Å; A105-Q202 HydrophobicContact CB-CB 4.4Å; A105-G271 CarbonylContact O-C 3.2Å; A105-G271 WeakPolarHBondContact O-CA 3.49Å; A105-E272 PolarHBondContact N-O 3.27Å; A105-E272 VanDerWaalsContact N-O 3.09Å; A105-E272 PolarHBondContact O-N 3.32Å
106V98.5Very high96.5Very high0 Ų043.9 Ų43.90%024%0.24CC..EExtended strand (participates in β ladder)trans-137.9130.5175.1173.40000110.3V92 T95 L103 V201 Q202 Y203 A204 F269 F270V92-V106 HydrophobicContact CG2-CG1 4.18Å; T95-V106 HydrophobicContact CG2-CG2 4.26Å; L103-V106 HydrophobicContact CD1-CG2 4.05Å; L103-V106 HydrophobicContact CD2-CG2 3.58Å; L103-V106 HydrophobicContact CG-CG2 4.07Å; V106-V201 HydrophobicContact CB-CG1 4.02Å; V106-V201 HydrophobicContact CG2-CG1 3.61Å; V106-Q202 PolarHBondContact N-O 3.36Å; V106-Y203 HydrophobicContact CB-CD2 4.16Å; V106-Y203 HydrophobicContact CG1-CD2 4.01Å; V106-Y203 HydrophobicContact CG1-CE2 4.16Å; V106-Y203 WeakPolarHBondContact O-CA 3.09Å; V106-A204 PolarHBondContact O-N 3.11Å; V106-F269 HydrophobicContact CG1-CB 4.15Å; V106-F269 HydrophobicContact CG1-CD1 3.79Å; V106-F269 HydrophobicContact CG1-CG 4.48Å; V106-F270 WeakPolarHBondContact CA-O 3.4Å
107E98.4Very high96.2Very high22 Ų2246.6 Ų46.610%0.10325%0.254CS..EExtended strand (participates in β ladder)trans-105.4128.5161.9-61.6-165.3109.500109.4F109 L158 R161 A204 Y206 F269 F270E107-F109 HydrophobicContact CB-CE2 3.79Å; E107-L158 HydrophobicContact CG-CD1 3.81Å; E107-R161 IonicContact OE1-NE 2.81Å; E107-R161 PolarHBondContact OE1-NE 2.93Å; E107-R161 VanDerWaalsContact OE1-NE 3.13Å; E107-R161 IonicContact OE2-CZ 3.4Å; E107-R161 IonicContact OE2-NE 3.67Å; E107-R161 PolarHBondContact OE2-NE 2.93Å; E107-R161 IonicContact OE2-NH2 2.63Å; E107-R161 PolarHBondContact OE2-NH2 3.01Å; E107-A204 CarbonylContact C-O 3.58Å; E107-A204 WeakPolarHBondContact CA-O 3.28Å; E107-A204 HydrophobicContact CG-CB 4.45Å; E107-Y206 HydrophobicContact CB-CD2 4.5Å; E107-Y206 HydrophobicContact CB-CE2 4.04Å; E107-Y206 HydrophobicContact CG-CE2 4.05Å; E107-Y206 WeakPolarHBondContact OE1-CE2 3.41Å; E107-Y206 PolarHBondContact OE1-OH 3.47Å; E107-F269 CarbonylContact O-C 3.58Å; E107-F269 WeakPolarHBondContact O-CA 3.42Å; E107-F270 PolarHBondContact N-O 3.19Å; E107-F270 PolarHBondContact O-N 2.96Å
108S98.5Very high95.9Very high1 Ų143.4 Ų43.41%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-107147.1171.4680000111.9Y203 A204 A205 Y206 T268S108-Y203 WeakPolarHBondContact CB-OH 3.44Å; S108-Y203 WeakPolarHBondContact OG-CE2 3.37Å; S108-Y203 VanDerWaalsContact OG-CZ 3.28Å; S108-Y203 PolarHBondContact OG-OH 3.05Å; S108-A204 PolarHBondContact N-O 3.46Å; S108-A205 WeakPolarHBondContact OG-CA 3.42Å; S108-A205 WeakPolarHBondContact OG-CB 3.43Å; S108-Y206 WeakPolarHBondContact O-CD2 3.23Å; S108-Y206 PolarHBondContact O-N 2.71Å; S108-T268 CarbonylContact C-O 3.59Å; S108-T268 VanDerWaalsContact CA-O 3.28Å; S108-T268 WeakPolarHBondContact CA-O 3.45Å
109F98.3Very high95.7Very high0 Ų039.7 Ų39.70%023%0.23CC..EExtended strand (participates in β ladder)trans-132.1114.4179.2-69-100.4000110E107 F165 F170 Y206 M267 T268 F270E107-F109 HydrophobicContact CB-CE2 3.79Å; F109-F165 AromaticContact CE1-CE2 3.94Å; F109-F165 HydrophobicContact CE1-CE2 3.94Å; F109-F165 AromaticContact CE1-CZ 3.84Å; F109-F165 HydrophobicContact CE1-CZ 3.84Å; F109-F165 HydrophobicContact CZ-CE2 4.43Å; F109-F165 HydrophobicContact CZ-CZ 4.37Å; F109-F170 HydrophobicContact CB-CD2 4.26Å; F109-F170 HydrophobicContact CB-CE1 4.5Å; F109-F170 HydrophobicContact CB-CE2 3.37Å; F109-F170 HydrophobicContact CB-CZ 3.51Å; F109-F170 AromaticContact CD1-CD2 3.94Å; F109-F170 HydrophobicContact CD1-CD2 3.94Å; F109-F170 AromaticContact CD1-CE2 3.52Å; F109-F170 HydrophobicContact CD1-CE2 3.52Å; F109-F170 AromaticContact CD2-CE2 3.87Å; F109-F170 HydrophobicContact CD2-CE2 3.87Å; F109-F170 HydrophobicContact CD2-CZ 4.37Å; F109-F170 HydrophobicContact CE1-CE2 4.23Å; F109-F170 HydrophobicContact CG-CD2 4.18Å; F109-F170 AromaticContact CG-CE2 3.31Å; F109-F170 HydrophobicContact CG-CE2 3.31Å; F109-F170 AromaticContact CG-CZ 3.92Å; F109-F170 HydrophobicContact CG-CZ 3.92Å; F109-Y206 CarbonylContact C-O 3.56Å; F109-Y206 WeakPolarHBondContact CA-O 3.41Å; F109-Y206 HydrophobicContact CD1-CD2 4.31Å; F109-Y206 HydrophobicContact CD1-CG 4.42Å; F109-Y206 HydrophobicContact CD2-CD2 4.47Å; F109-Y206 AromaticContact CE1-CD2 3.85Å; F109-Y206 HydrophobicContact CE1-CD2 3.85Å; F109-Y206 HydrophobicContact CE1-CG 4.06Å; F109-Y206 HydrophobicContact CE2-CD2 4.01Å; F109-Y206 AromaticContact CZ-CD2 3.67Å; F109-Y206 HydrophobicContact CZ-CD2 3.67Å; F109-Y206 HydrophobicContact CZ-CE2 4.18Å; F109-Y206 HydrophobicContact CZ-CG 4.34Å; F109-M267 WeakPolarHBondContact O-CA 3.31Å; F109-T268 PolarHBondContact N-O 3.26Å; F109-T268 PolarHBondContact O-N 3.41Å; F109-F270 AromaticContact CD2-CD2 3.7Å; F109-F270 HydrophobicContact CD2-CD2 3.7Å; F109-F270 AromaticContact CD2-CE2 3.79Å; F109-F270 HydrophobicContact CD2-CE2 3.79Å; F109-F270 AromaticContact CE2-CD2 3.73Å; F109-F270 HydrophobicContact CE2-CD2 3.73Å; F109-F270 HydrophobicContact CE2-CE2 4.04Å
110L98.3Very high95.6Very high15 Ų1539.5 Ų39.58%0.07923%0.23CC..EExtended strand (participates in β ladder)trans-87.6125175.5175.560.6000110.7F83 V112 F177 Y206 A207 N208 F265 M267F83-L110 HydrophobicContact CE1-CD2 4.19Å; F83-L110 HydrophobicContact CZ-CD1 3.75Å; F83-L110 HydrophobicContact CZ-CD2 4Å; L110-V112 HydrophobicContact CD1-CG2 4.22Å; L110-V112 HydrophobicContact CD2-CG2 4.41Å; L110-V112 HydrophobicContact CG-CG2 4.25Å; L110-F177 HydrophobicContact CD2-CD2 4.36Å; L110-F177 HydrophobicContact CD2-CE2 3.96Å; L110-Y206 PolarHBondContact N-O 3.11Å; L110-A207 WeakPolarHBondContact O-CA 3.11Å; L110-N208 PolarHBondContact O-N 3.2Å; L110-F265 HydrophobicContact CD1-CB 4.03Å; L110-F265 HydrophobicContact CD1-CD2 4.47Å; L110-M267 HydrophobicContact CB-SD 4.35Å
111T97.3Very high95.6Very high16 Ų1633.2 Ų33.210%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-116128.3165.3-62.70000108.7K113 N208 F265 T266T111-K113 HydrophobicContact CG2-CG 4.18Å; T111-N208 PolarHBondContact OG1-ND2 3.34Å; T111-F265 CarbonylContact O-C 3.53Å; T111-F265 WeakPolarHBondContact O-CA 3.47Å; T111-T266 PolarHBondContact N-O 2.81Å; T111-T266 PolarHBondContact O-N 3.14Å
112V96.4Very high95.5Very high55 Ų5535.1 Ų35.133%0.33320%0.204SC..EExtended strand (participates in β ladder)trans-108125.2169.7178.70000107.9L110 T263 P298L110-V112 HydrophobicContact CD1-CG2 4.22Å; L110-V112 HydrophobicContact CD2-CG2 4.41Å; L110-V112 HydrophobicContact CG-CG2 4.25Å; V112-T263 HydrophobicContact CG1-CG2 3.83Å; V112-P298 HydrophobicContact CG2-CG 4.45Å
113K95.9Very high95.2Very high132 Ų13233.7 Ų33.757%0.57420%0.195SC*.EExtended strand (participates in β ladder)trans-107130.7173.8-64.9-174179.5-177.80108.1T111 T263 S264T111-K113 HydrophobicContact CG2-CG 4.18Å; K113-T263 CarbonylContact O-C 3.55Å; K113-T263 VanDerWaalsContact O-CA 3.23Å; K113-T263 WeakPolarHBondContact O-CA 3.32Å; K113-S264 PolarHBondContact N-O 2.82Å; K113-S264 PolarHBondContact O-N 3.26Å
114S95.4Very high94.6Very high46 Ų4634.4 Ų34.432%0.32220%0.202SC..  trans-129153.4177.4-65.80000109.8S119 E262 T263S114-S119 WeakPolarHBondContact OG-CB 3.27Å; S114-S119 PolarHBondContact OG-OG 2.63Å; S114-E262 CarbonylContact C-O 3.56Å; S114-E262 WeakPolarHBondContact CA-O 3.49Å; S114-T263 PolarHBondContact OG-OG1 3.03Å
115G94.6Very high94.1Very high20 Ų2037.4 Ų37.421%0.20622%0.221CC..  trans-69.4-175.8172.700000113.8E117 G118 E262G115-E117 PolarHBondContact O-N 3.42Å; G115-E117 VanDerWaalsContact O-N 3.16Å; G115-G118 WeakPolarHBondContact O-CA 3.43Å; G115-G118 PolarHBondContact O-N 2.58Å; G115-E262 WeakPolarHBondContact CA-OE2 3.42Å; G115-E262 PolarHBondContact N-O 2.91Å; G115-E262 VanDerWaalsContact N-O 3.09Å
116P94Very high93.7Very high131 Ų13138.3 Ų38.385%0.85122%0.223SC*.THydrogen-bonded Turntrans-59.3-27.3-176.1-24.434.8000114.6G118 E262P116-G118 PolarHBondContact O-N 2.99Å; P116-E262 WeakPolarHBondContact CD-OE2 3.41Å
117E90.6Very high93.2Very high90 Ų9041 Ų4142%0.42124%0.235SC..THydrogen-bonded Turntrans-78.92176.2-65.6-175.7-164.600113.2G115 K258 Q259G115-E117 PolarHBondContact O-N 3.42Å; G115-E117 VanDerWaalsContact O-N 3.16Å; E117-K258 VanDerWaalsContact OE1-CD 3.29Å; E117-K258 WeakPolarHBondContact OE1-CD 3.49Å; E117-K258 VanDerWaalsContact OE1-CE 3.27Å; E117-K258 WeakPolarHBondContact OE1-CE 3.48Å; E117-K258 IonicContact OE1-NZ 2.68Å; E117-K258 PolarHBondContact OE1-NZ 3.34Å; E117-Q259 HydrophobicContact CB-CG 4Å; E117-Q259 PolarHBondContact O-NE2 3.5Å
118G91.4Very high92.6Very high28 Ų2841 Ų4129%0.28924%0.238SC..  trans67.5-152-177.200000111.9G115 P116G115-G118 WeakPolarHBondContact O-CA 3.43Å; G115-G118 PolarHBondContact O-N 2.58Å; P116-G118 PolarHBondContact O-N 2.99Å
119S91.6Very high92.1Very high21 Ų2142.9 Ų42.915%0.14725%0.253CS..  trans-136.8156.4174.743.10000110.4S114 R249S114-S119 WeakPolarHBondContact OG-CB 3.27Å; S114-S119 PolarHBondContact OG-OG 2.63Å; S119-R249 WeakPolarHBondContact O-CD 3.32Å; S119-R249 PolarHBondContact O-NH1 3.3Å; S119-R249 PolarHBondContact OG-NH1 3.07Å; S119-R249 PolarHBondContact OG-NH2 3.37Å
120C93Very high91.6Very high7 Ų742.9 Ų42.95%0.04725%0.253CS..  trans-133.6153.5179.2-167.10000110.5G248 R249 S251 P255C120-G248 PolarHBondContact SG-O 3.27Å; C120-R249 CarbonylContact C-O 3.51Å; C120-R249 WeakPolarHBondContact CA-O 3.42Å; C120-S251 PolarHBondContact SG-OG 2.98Å; C120-S251 VanDerWaalsContact SG-OG 3.33Å; C120-P255 HydrophobicContact CB-CB 4.04Å
121I92.2Very high91Very high36 Ų3645.6 Ų45.619%0.18526%0.263CS..EExtended strand (participates in β ladder)trans-128.8147.6175.2-56.9173.8000107.9T125 R249 F250 S251I121-T125 HydrophobicContact CG2-CG2 4.15Å; I121-T125 WeakPolarHBondContact CG2-OG1 3.27Å; I121-R249 PolarHBondContact N-O 3Å; I121-F250 HydrophobicContact CB-CD1 3.74Å; I121-F250 HydrophobicContact CB-CE1 3.73Å; I121-F250 HydrophobicContact CD1-CE1 4.07Å; I121-F250 HydrophobicContact CD1-CZ 4.34Å; I121-F250 HydrophobicContact CG1-CE1 4.46Å; I121-F250 HydrophobicContact CG2-CD1 3.97Å; I121-F250 HydrophobicContact CG2-CE1 3.79Å; I121-F250 CarbonylContact O-C 3.57Å; I121-F250 WeakPolarHBondContact O-CA 3.26Å; I121-S251 PolarHBondContact O-N 3.29Å
122H92.7Very high90.3Very high73 Ų7346.2 Ų46.234%0.33827%0.273SS..EExtended strand (participates in β ladder)trans-67.9150.9178.1-173.1-94.5000111.6G124 T125 S251 K252 Y300H122-G124 PolarHBondContact ND1-N 3.32Å; H122-G124 VanDerWaalsContact ND1-N 3.19Å; H122-G124 PolarHBondContact O-N 2.84Å; H122-T125 PolarHBondContact O-N 3.25Å; H122-S251 CarbonylContact C-O 3.56Å; H122-S251 VanDerWaalsContact CA-O 3.28Å; H122-S251 WeakPolarHBondContact CA-O 3.45Å; H122-K252 PolarHBondContact CD2-O 3.32Å; H122-K252 VanDerWaalsContact CD2-O 3.31Å; H122-K252 PolarHBondContact NE2-O 2.82Å; H122-K252 VanDerWaalsContact NE2-O 3.13Å; H122-Y300 WeakPolarHBondContact CA-OH 3.44Å; H122-Y300 WeakPolarHBondContact CB-OH 3.43Å; H122-Y300 PolarHBondContact N-OH 2.99Å
123D90.6Very high89.3Confident8 Ų846 Ų464%0.04327%0.27CS..Hα-helixtrans-62.8-14.5-176.387.9-15.2000114.5T125 W126 K127 P242 S251 K252D123-T125 VanDerWaalsContact C-N 3.35Å; D123-W126 WeakPolarHBondContact O-CB 3.35Å; D123-W126 PolarHBondContact O-N 3.02Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å; D123-K127 PolarHBondContact O-N 3.49Å; D123-K127 IonicContact OD1-NZ 3.16Å; D123-K127 PolarHBondContact OD1-NZ 2.78Å; D123-K127 WeakPolarHBondContact OD2-CE 3.45Å; D123-K127 IonicContact OD2-NZ 3.01Å; D123-K127 PolarHBondContact OD2-NZ 2.99Å; D123-P242 HydrophobicContact CB-CB 4.38Å; D123-P242 HydrophobicContact CB-CG 4.09Å; D123-S251 PolarHBondContact N-O 3.45Å; D123-K252 HydrophobicContact CB-CG 4.32Å
124G85Confident88.2Confident17 Ų1742.4 Ų42.418%0.17526%0.261CS..Hα-helixtrans-60.2-43.5174.600000112.1H122 W126 K127 S128H122-G124 PolarHBondContact ND1-N 3.32Å; H122-G124 VanDerWaalsContact ND1-N 3.19Å; H122-G124 PolarHBondContact O-N 2.84Å; G124-W126 VanDerWaalsContact C-N 3.34Å; G124-K127 PolarHBondContact O-N 3.47Å; G124-S128 PolarHBondContact O-N 2.97Å; G124-S128 PolarHBondContact O-OG 3.16Å
125T85.3Confident87.1Confident64 Ų6442 Ų4239%0.39326%0.255SS..Hα-helixtrans-66.6-38.4175.2-52.40000110.9I121 H122 D123 S128 A129 F250I121-T125 HydrophobicContact CG2-CG2 4.15Å; I121-T125 WeakPolarHBondContact CG2-OG1 3.27Å; H122-T125 PolarHBondContact O-N 3.25Å; D123-T125 VanDerWaalsContact C-N 3.35Å; T125-S128 WeakPolarHBondContact O-CB 3.4Å; T125-S128 PolarHBondContact O-N 3.13Å; T125-A129 PolarHBondContact O-N 2.88Å; T125-F250 HydrophobicContact CG2-CE1 4.07Å
126W89.6Confident86Confident22 Ų2246.2 Ų46.28%0.08327%0.269CS..Hα-helixtrans-62.4-45.9175.6-178.6-108.2000112.5D123 G124 S128 A129 V130 F225 L238 P242 F245 F250D123-W126 WeakPolarHBondContact O-CB 3.35Å; D123-W126 PolarHBondContact O-N 3.02Å; G124-W126 VanDerWaalsContact C-N 3.34Å; W126-S128 VanDerWaalsContact C-N 3.29Å; W126-S128 PolarHBondContact O-N 2.85Å; W126-A129 PolarHBondContact O-N 2.68Å; W126-V130 WeakPolarHBondContact O-CG2 3.31Å; W126-V130 PolarHBondContact O-N 3.02Å; W126-F225 HydrophobicContact CD2-CE2 4.4Å; W126-F225 HydrophobicContact CE3-CE2 4.25Å; W126-F225 AromaticContact CH2-CD2 3.4Å; W126-F225 HydrophobicContact CH2-CD2 3.4Å; W126-F225 AromaticContact CH2-CE2 3.51Å; W126-F225 HydrophobicContact CH2-CE2 3.51Å; W126-F225 AromaticContact CZ2-CD2 3.75Å; W126-F225 HydrophobicContact CZ2-CD2 3.75Å; W126-F225 AromaticContact CZ2-CE2 3.64Å; W126-F225 HydrophobicContact CZ2-CE2 3.64Å; W126-F225 AromaticContact CZ3-CD2 4Å; W126-F225 HydrophobicContact CZ3-CD2 4Å; W126-F225 AromaticContact CZ3-CE2 3.81Å; W126-F225 HydrophobicContact CZ3-CE2 3.81Å; W126-L238 HydrophobicContact CZ2-CB 4.44Å; W126-L238 HydrophobicContact CZ2-CD2 3.82Å; W126-L238 PolarHBondContact NE1-O 3.24Å; W126-P242 HydrophobicContact CG-CB 4.26Å; W126-F245 HydrophobicContact CH2-CB 4.48Å; W126-F245 HydrophobicContact CZ2-CB 3.93Å; W126-F250 HydrophobicContact CB-CB 3.99Å; W126-F250 HydrophobicContact CB-CD1 3.77Å; W126-F250 HydrophobicContact CB-CE1 4.38Å; W126-F250 HydrophobicContact CB-CG 3.84Å; W126-F250 HydrophobicContact CD2-CB 4.43Å; W126-F250 HydrophobicContact CD2-CD2 4.1Å; W126-F250 HydrophobicContact CD2-CG 4.22Å; W126-F250 HydrophobicContact CE3-CB 4.4Å; W126-F250 HydrophobicContact CE3-CD1 4.42Å; W126-F250 AromaticContact CE3-CD2 3.27Å; W126-F250 HydrophobicContact CE3-CD2 3.27Å; W126-F250 AromaticContact CE3-CE2 3.49Å; W126-F250 HydrophobicContact CE3-CE2 3.49Å; W126-F250 VanDerWaalsContact CE3-CE2 3.49Å; W126-F250 AromaticContact CE3-CG 3.79Å; W126-F250 HydrophobicContact CE3-CG 3.79Å; W126-F250 HydrophobicContact CE3-CZ 4.14Å; W126-F250 HydrophobicContact CG-CB 4.31Å; W126-F250 HydrophobicContact CG-CG 4.31Å; W126-F250 AromaticContact CZ3-CD2 3.7Å; W126-F250 HydrophobicContact CZ3-CD2 3.7Å; W126-F250 AromaticContact CZ3-CE2 3.79Å; W126-F250 HydrophobicContact CZ3-CE2 3.79Å
127K89Confident85.1Confident56 Ų5645.3 Ų45.324%0.24326%0.257CS..Hα-helixtrans-58.6-43.5174.4-71.9165.5-172.4151.60110.9P30 D123 G124 A129 V130 Y131 I239P30-K127 HydrophobicContact CG-CB 3.99Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å; D123-K127 PolarHBondContact O-N 3.49Å; D123-K127 IonicContact OD1-NZ 3.16Å; D123-K127 PolarHBondContact OD1-NZ 2.78Å; D123-K127 WeakPolarHBondContact OD2-CE 3.45Å; D123-K127 IonicContact OD2-NZ 3.01Å; D123-K127 PolarHBondContact OD2-NZ 2.99Å; G124-K127 PolarHBondContact O-N 3.47Å; K127-A129 VanDerWaalsContact C-N 3.33Å; K127-A129 PolarHBondContact O-N 3.14Å; K127-V130 PolarHBondContact O-N 3.45Å; K127-Y131 HydrophobicContact CB-CD2 4.36Å; K127-Y131 HydrophobicContact CB-CE2 4.37Å; K127-Y131 WeakPolarHBondContact O-CD2 3.37Å; K127-Y131 PolarHBondContact O-N 3.17Å; K127-I239 HydrophobicContact CG-CG1 4.3Å; K127-I239 HydrophobicContact CG-CG2 4.2Å
128S85.3Confident84.7Confident23 Ų2343.6 Ų43.616%0.16125%0.251CS..Hα-helixtrans-60-42.5177.1-52.30000111.4G124 T125 W126 G132G124-S128 PolarHBondContact O-N 2.97Å; G124-S128 PolarHBondContact O-OG 3.16Å; T125-S128 WeakPolarHBondContact O-CB 3.4Å; T125-S128 PolarHBondContact O-N 3.13Å; W126-S128 VanDerWaalsContact C-N 3.29Å; W126-S128 PolarHBondContact O-N 2.85Å; S128-G132 WeakPolarHBondContact O-CA 3.31Å; S128-G132 PolarHBondContact O-N 3.22Å
129A87.6Confident84.3Confident40 Ų4043.6 Ų43.633%0.33124%0.244SC..Hα-helixtrans-63.9-44.117500000112.9T125 W126 K127 L133 F225T125-A129 PolarHBondContact O-N 2.88Å; W126-A129 PolarHBondContact O-N 2.68Å; K127-A129 VanDerWaalsContact C-N 3.33Å; K127-A129 PolarHBondContact O-N 3.14Å; A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 PolarHBondContact O-N 2.87Å; A129-L133 VanDerWaalsContact O-N 3.14Å; A129-F225 HydrophobicContact CB-CZ 4.43Å
130V88.8Confident84Confident0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-60.5-48.7177.41710000111.2W126 K127 S134 F225 V229 R235 L238 I239W126-V130 WeakPolarHBondContact O-CG2 3.31Å; W126-V130 PolarHBondContact O-N 3.02Å; K127-V130 PolarHBondContact O-N 3.45Å; V130-S134 PolarHBondContact O-N 2.82Å; V130-F225 HydrophobicContact CB-CZ 4.44Å; V130-F225 HydrophobicContact CG2-CE2 3.71Å; V130-F225 HydrophobicContact CG2-CZ 3.68Å; V130-V229 HydrophobicContact CG1-CG2 4.31Å; V130-V229 HydrophobicContact CG2-CG2 4.44Å; V130-R235 HydrophobicContact CG1-CB 4.01Å; V130-R235 HydrophobicContact CG1-CG 3.84Å; V130-L238 HydrophobicContact CG2-CB 4.06Å; V130-L238 HydrophobicContact CG2-CD1 4.12Å; V130-I239 HydrophobicContact CG1-CD1 4.16Å; V130-I239 HydrophobicContact CG1-CG1 4.27Å
131Y85.7Confident83.8Confident73 Ų7355.4 Ų55.429%0.28629%0.292SS..Hα-helixtrans-75.9-36.2-177.9-71-61.2000113.3F33 K127 S134 I239F33-Y131 AromaticContact CE2-CD2 3.57Å; F33-Y131 HydrophobicContact CE2-CD2 3.57Å; F33-Y131 AromaticContact CE2-CE2 3.71Å; F33-Y131 HydrophobicContact CE2-CE2 3.71Å; F33-Y131 HydrophobicContact CE2-CG 4.01Å; F33-Y131 HydrophobicContact CZ-CD1 4.03Å; F33-Y131 AromaticContact CZ-CD2 3.92Å; F33-Y131 HydrophobicContact CZ-CD2 3.92Å; F33-Y131 HydrophobicContact CZ-CE1 4.16Å; F33-Y131 HydrophobicContact CZ-CE2 4.05Å; F33-Y131 AromaticContact CZ-CG 3.91Å; F33-Y131 HydrophobicContact CZ-CG 3.91Å; K127-Y131 HydrophobicContact CB-CD2 4.36Å; K127-Y131 HydrophobicContact CB-CE2 4.37Å; K127-Y131 WeakPolarHBondContact O-CD2 3.37Å; K127-Y131 PolarHBondContact O-N 3.17Å; Y131-S134 PolarHBondContact O-N 2.98Å; Y131-S134 PolarHBondContact O-OG 3.13Å; Y131-I239 HydrophobicContact CE1-CD1 4.32Å; Y131-I239 HydrophobicContact CE2-CD1 3.79Å; Y131-I239 WeakPolarHBondContact OH-CD1 3.46Å
132G81.3Confident83.7Confident29 Ų2954.6 Ų54.630%0.29929%0.288SS..Hα-helixtrans-62.7-42.9177.600000112.2S128 S134 D135S128-G132 WeakPolarHBondContact O-CA 3.31Å; S128-G132 PolarHBondContact O-N 3.22Å; G132-S134 VanDerWaalsContact C-N 3.33Å; G132-S134 PolarHBondContact O-N 3.29Å; G132-D135 PolarHBondContact O-N 2.79Å
133L76.6Confident83.4Confident51 Ų5156.1 Ų56.127%0.26729%0.291SS..Hα-helixtrans-71.5-27.2177.1-74.7172.9000113.3A129 D135 F225 V229A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 PolarHBondContact O-N 2.87Å; A129-L133 VanDerWaalsContact O-N 3.14Å; L133-D135 PolarHBondContact O-N 3.01Å; L133-F225 HydrophobicContact CD1-CD1 4.2Å; L133-F225 HydrophobicContact CD1-CE1 3.49Å; L133-F225 VanDerWaalsContact CD1-CE1 3.49Å; L133-F225 HydrophobicContact CD1-CZ 4.42Å; L133-V229 HydrophobicContact CB-CG1 4.19Å
134S72.6Confident83.3Confident56 Ų5664.4 Ų64.439%0.39233%0.326SS..THydrogen-bonded Turntrans-71.7-9.3175.771.70000114.4V130 Y131 G132V130-S134 PolarHBondContact O-N 2.82Å; Y131-S134 PolarHBondContact O-N 2.98Å; Y131-S134 PolarHBondContact O-OG 3.13Å; G132-S134 VanDerWaalsContact C-N 3.33Å; G132-S134 PolarHBondContact O-N 3.29Å
135D72.3Confident83.7Confident37 Ų3770 Ų7020%0.19835%0.348CS..THydrogen-bonded Turntrans-131.930.6-170.5-166.638.6000114.1R32 Q57 G132 L133 D137 N138R32-D135 IonicContact CZ-OD2 2.79Å; R32-D135 IonicContact NH1-OD2 2.7Å; R32-D135 PolarHBondContact NH1-OD2 3.04Å; R32-D135 VanDerWaalsContact NH2-CB 3.31Å; R32-D135 IonicContact NH2-OD2 2.89Å; R32-D135 PolarHBondContact NH2-OD2 2.88Å; Q57-D135 PolarHBondContact NE2-OD2 3.29Å; Q57-D135 VanDerWaalsContact NE2-OD2 3.08Å; G132-D135 PolarHBondContact O-N 2.79Å; L133-D135 PolarHBondContact O-N 3.01Å; D135-D137 VanDerWaalsContact C-N 3.26Å; D135-D137 PolarHBondContact O-N 3.43Å; D135-N138 VanDerWaalsContact CG-CB 3.46Å; D135-N138 PolarHBondContact O-N 3.47Å; D135-N138 WeakPolarHBondContact OD1-CB 3.4Å; D135-N138 WeakPolarHBondContact OD2-CB 3.33Å; D135-N138 PolarHBondContact OD2-ND2 3.22Å; D135-N138 VanDerWaalsContact OD2-ND2 3.11Å
136Q70.4Confident83.9Confident108 Ų10868.2 Ų68.251%0.50534%0.336SS..Hα-helixtrans-60.8-32.1179.6-71.1-171.3-10.300113.7N138 L139 K140Q136-N138 VanDerWaalsContact C-N 3.3Å; Q136-N138 PolarHBondContact O-N 3.15Å; Q136-L139 PolarHBondContact O-N 3.44Å; Q136-K140 PolarHBondContact O-N 3.35Å
137D76.8Confident83.7Confident112 Ų11270 Ų7060%0.59936%0.361SS*.Hα-helixtrans-68.2-32-178.6-70.7-32.6000112.3D135 K140 K141D135-D137 VanDerWaalsContact C-N 3.26Å; D135-D137 PolarHBondContact O-N 3.43Å; D137-K140 PolarHBondContact O-N 3.4Å; D137-K141 WeakPolarHBondContact O-CG 3.47Å; D137-K141 PolarHBondContact O-N 2.86Å
138N81.8Confident83.4Confident54 Ų5469.5 Ų69.529%0.28936%0.358SS..Hα-helixtrans-68.9-37.2176.3-166.918.4000111.9Q57 D135 Q136 K140 K141 L142Q57-N138 PolarHBondContact NE2-ND2 3.08Å; D135-N138 VanDerWaalsContact CG-CB 3.46Å; D135-N138 PolarHBondContact O-N 3.47Å; D135-N138 WeakPolarHBondContact OD1-CB 3.4Å; D135-N138 WeakPolarHBondContact OD2-CB 3.33Å; D135-N138 PolarHBondContact OD2-ND2 3.22Å; D135-N138 VanDerWaalsContact OD2-ND2 3.11Å; Q136-N138 VanDerWaalsContact C-N 3.3Å; Q136-N138 PolarHBondContact O-N 3.15Å; N138-K140 VanDerWaalsContact C-N 3.31Å; N138-K140 PolarHBondContact O-N 2.68Å; N138-K141 WeakPolarHBondContact O-CB 3.46Å; N138-K141 PolarHBondContact O-N 2.91Å; N138-K141 VanDerWaalsContact O-N 3.15Å; N138-L142 WeakPolarHBondContact O-CG 3.41Å; N138-L142 PolarHBondContact O-N 3.21Å
139L83.4Confident83.2Confident29 Ų2972.7 Ų72.715%0.15238%0.377CS..Hα-helixtrans-59.2-41.1174.5177.760.5000112.3P56 Q57 A60 Q136 R143P56-L139 HydrophobicContact CB-CD1 4.2Å; P56-L139 HydrophobicContact CB-CD2 3.98Å; P56-L139 WeakPolarHBondContact O-CD1 3.34Å; Q57-L139 HydrophobicContact CB-CB 4.19Å; Q57-L139 HydrophobicContact CB-CD1 4.27Å; Q57-L139 HydrophobicContact CG-CB 4.47Å; A60-L139 HydrophobicContact CB-CD1 4.16Å; Q136-L139 PolarHBondContact O-N 3.44Å; L139-R143 HydrophobicContact CD1-CG 4.28Å; L139-R143 WeakPolarHBondContact O-CB 3.38Å; L139-R143 WeakPolarHBondContact O-CG 3.43Å; L139-R143 PolarHBondContact O-N 3.33Å
140K84.7Confident83.2Confident140 Ų14075.8 Ų75.861%0.60939%0.393SS*.Hα-helixtrans-63.5-43.5176.2-68.3176.6-174.9164.50111.1Q136 D137 N138 R143 K144Q136-K140 PolarHBondContact O-N 3.35Å; D137-K140 PolarHBondContact O-N 3.4Å; N138-K140 VanDerWaalsContact C-N 3.31Å; N138-K140 PolarHBondContact O-N 2.68Å; K140-R143 PolarHBondContact O-N 2.9Å; K140-K144 PolarHBondContact O-N 3.45Å; K140-K144 VanDerWaalsContact O-N 3.1Å
141K88.8Confident83.3Confident136 Ų13677.2 Ų77.259%0.59140%0.402SS*.Hα-helixtrans-60.8-49.7176.7-69.6175.4-177.3178.50111.6D137 N138 R143 K144 Q145D137-K141 WeakPolarHBondContact O-CG 3.47Å; D137-K141 PolarHBondContact O-N 2.86Å; N138-K141 WeakPolarHBondContact O-CB 3.46Å; N138-K141 PolarHBondContact O-N 2.91Å; N138-K141 VanDerWaalsContact O-N 3.15Å; K141-R143 PolarHBondContact O-N 2.94Å; K141-K144 WeakPolarHBondContact O-CB 3.11Å; K141-K144 PolarHBondContact O-N 2.89Å; K141-K144 VanDerWaalsContact O-N 3.13Å; K141-Q145 WeakPolarHBondContact O-CG 3.47Å; K141-Q145 PolarHBondContact O-N 3.28Å
142L88.8Confident83.7Confident18 Ų1876.2 Ų76.29%0.09440%0.404CS..Hα-helixtrans-57.4-47.9177.5-72.6169.9000111.8Q57 A60 L64 N138 K144 Q145 I146Q57-L142 HydrophobicContact CG-CD1 3.82Å; Q57-L142 WeakPolarHBondContact O-CD1 3.29Å; A60-L142 HydrophobicContact CB-CB 4.37Å; L64-L142 HydrophobicContact CD2-CD2 3.85Å; N138-L142 WeakPolarHBondContact O-CG 3.41Å; N138-L142 PolarHBondContact O-N 3.21Å; L142-K144 VanDerWaalsContact C-N 3.25Å; L142-K144 PolarHBondContact O-N 3.07Å; L142-Q145 PolarHBondContact O-N 3.45Å; L142-Q145 VanDerWaalsContact O-N 3.14Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 3.27Å
143R87.9Confident84.3Confident105 Ų10579.3 Ų79.340%0.39642%0.417SS..Hα-helixtrans-61.7-33.3178.5-75175173.5165.5-1112.9L139 K140 K141 S183L139-R143 HydrophobicContact CD1-CG 4.28Å; L139-R143 WeakPolarHBondContact O-CB 3.38Å; L139-R143 WeakPolarHBondContact O-CG 3.43Å; L139-R143 PolarHBondContact O-N 3.33Å; K140-R143 PolarHBondContact O-N 2.9Å; K141-R143 PolarHBondContact O-N 2.94Å; R143-S183 PolarHBondContact NH2-OG 3.14Å
144K88.7Confident85.1Confident182 Ų18278.4 Ų78.479%0.79141%0.414SS*.Hα-helixtrans-69.6-43.7173.9-172.9-179.6178.7-177.10111.3K140 K141 L142 G147K140-K144 PolarHBondContact O-N 3.45Å; K140-K144 VanDerWaalsContact O-N 3.1Å; K141-K144 WeakPolarHBondContact O-CB 3.11Å; K141-K144 PolarHBondContact O-N 2.89Å; K141-K144 VanDerWaalsContact O-N 3.13Å; L142-K144 VanDerWaalsContact C-N 3.25Å; L142-K144 PolarHBondContact O-N 3.07Å; K144-G147 PolarHBondContact O-N 3.09Å; K144-G147 VanDerWaalsContact O-N 3.16Å
145Q91.6Very high86.1Confident134 Ų13476.8 Ų76.863%0.62641%0.406SS*.Hα-helixtrans-63.4-40.3177.9-74.5176.4-3200112.6L64 K141 L142 G147L64-Q145 HydrophobicContact CD2-CB 4.08Å; K141-Q145 WeakPolarHBondContact O-CG 3.47Å; K141-Q145 PolarHBondContact O-N 3.28Å; L142-Q145 PolarHBondContact O-N 3.45Å; L142-Q145 VanDerWaalsContact O-N 3.14Å; Q145-G147 PolarHBondContact O-N 2.9Å
146I89.9Confident87.2Confident27 Ų2777.1 Ų77.114%0.13841%0.414CS..Hα-helixtrans-62.7-26176.4-63.5161.8000111.7A60 Y63 L64 L142 Y148A60-I146 HydrophobicContact CB-CD1 4.02Å; A60-I146 WeakPolarHBondContact O-CD1 3.34Å; Y63-I146 HydrophobicContact CD1-CD1 4.21Å; Y63-I146 HydrophobicContact CD1-CG1 4.25Å; Y63-I146 HydrophobicContact CD1-CG2 3.72Å; Y63-I146 HydrophobicContact CE1-CG2 3.48Å; Y63-I146 VanDerWaalsContact CE1-CG2 3.48Å; L64-I146 HydrophobicContact CB-CD1 4.33Å; L64-I146 HydrophobicContact CB-CG1 3.85Å; L64-I146 HydrophobicContact CD1-CG1 3.84Å; L64-I146 HydrophobicContact CD2-CG1 4.45Å; L64-I146 HydrophobicContact CG-CG1 4.26Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 3.27Å; I146-Y148 HydrophobicContact CB-CD2 4.06Å; I146-Y148 HydrophobicContact CB-CE2 3.96Å; I146-Y148 HydrophobicContact CB-CG 4.44Å; I146-Y148 HydrophobicContact CD1-CD2 4.46Å; I146-Y148 HydrophobicContact CD1-CE2 3.61Å; I146-Y148 HydrophobicContact CG1-CE2 4.37Å; I146-Y148 HydrophobicContact CG2-CD1 3.57Å; I146-Y148 HydrophobicContact CG2-CD2 3.7Å; I146-Y148 HydrophobicContact CG2-CE1 3.42Å; I146-Y148 VanDerWaalsContact CG2-CE1 3.42Å; I146-Y148 HydrophobicContact CG2-CE2 3.54Å; I146-Y148 HydrophobicContact CG2-CG 3.71Å; I146-Y148 VanDerWaalsContact CG2-CZ 3.4Å; I146-Y148 PolarHBondContact O-N 3.27Å
147G86.3Confident88.3Confident59 Ų5980.1 Ų80.161%0.60843%0.425SS*.THydrogen-bonded Turntrans63.629.5176.400000113.7K144 Q145 T149K144-G147 PolarHBondContact O-N 3.09Å; K144-G147 VanDerWaalsContact O-N 3.16Å; Q145-G147 PolarHBondContact O-N 2.9Å; G147-T149 PolarHBondContact O-N 3.38Å
148Y81.8Confident89.2Confident46 Ų4676.2 Ų76.218%0.1840%0.404CS..PPolyproline II helixtrans-51.4131-176.2-77.5-56.4000112.9Y63 I146 R190Y63-Y148 HydrophobicContact CD1-CE1 4.11Å; Y63-Y148 AromaticContact CD1-CZ 3.97Å; Y63-Y148 WeakPolarHBondContact CD1-OH 3.47Å; Y63-Y148 AromaticContact CE1-CE1 3.71Å; Y63-Y148 HydrophobicContact CE1-CE1 3.71Å; Y63-Y148 AromaticContact CZ-CE1 3.95Å; I146-Y148 HydrophobicContact CB-CD2 4.06Å; I146-Y148 HydrophobicContact CB-CE2 3.96Å; I146-Y148 HydrophobicContact CB-CG 4.44Å; I146-Y148 HydrophobicContact CD1-CD2 4.46Å; I146-Y148 HydrophobicContact CD1-CE2 3.61Å; I146-Y148 HydrophobicContact CG1-CE2 4.37Å; I146-Y148 HydrophobicContact CG2-CD1 3.57Å; I146-Y148 HydrophobicContact CG2-CD2 3.7Å; I146-Y148 HydrophobicContact CG2-CE1 3.42Å; I146-Y148 VanDerWaalsContact CG2-CE1 3.42Å; I146-Y148 HydrophobicContact CG2-CE2 3.54Å; I146-Y148 HydrophobicContact CG2-CG 3.71Å; I146-Y148 VanDerWaalsContact CG2-CZ 3.4Å; I146-Y148 PolarHBondContact O-N 3.27Å; Y148-R190 VanDerWaalsContact CB-CZ 3.41Å
149T81.9Confident89.7Confident91 Ų9182.5 Ų82.556%0.55843%0.429SS*.PPolyproline II helixtrans-55.3129.5165.6-46.30000109.8G147 V151 R190G147-T149 PolarHBondContact O-N 3.38Å; T149-V151 PolarHBondContact O-N 2.94Å; T149-R190 PolarHBondContact O-NE 2.99Å
150P86.8Confident90.2Very high105 Ų10590.4 Ų90.468%0.68246%0.457SS*.PPolyproline II helixtrans-56.3137.5172.3-24.734.5000110.5
151V92.3Very high90.7Very high29 Ų2987.6 Ų87.618%0.17644%0.442CS..PPolyproline II helixtrans-74.6121.5168.7-176.30000106.5T149 K186 R190 P200T149-V151 PolarHBondContact O-N 2.94Å; V151-K186 HydrophobicContact CG2-CG 4.29Å; V151-R190 HydrophobicContact CG2-CB 3.65Å; V151-R190 HydrophobicContact CG2-CG 4.19Å; V151-P200 HydrophobicContact CG1-CB 3.35Å; V151-P200 HydrophobicContact CG1-CG 3.89Å
152P93.1Very high91Very high52 Ų5283.1 Ų83.134%0.33844%0.435SS..PPolyproline II helixtrans-65.7151.5-178.127.2-33000110.6H193 P200P152-H193 VanDerWaalsContact CD-CD2 3.46Å; P152-H193 WeakPolarHBondContact CD-CD2 3.46Å; P152-H193 WeakPolarHBondContact CG-NE2 3.37Å; P152-P200 HydrophobicContact CG-CG 3.92Å
153V94.2Very high91.2Very high94 Ų9489.4 Ų89.457%0.5747%0.468SS*.  trans-87.7115.7171.7176.40000107.2
154V93.7Very high91.6Very high33 Ų3387 Ų8720%0.247%0.465CS..  trans-108.2138.4173.8-177.80000108.4T104 T199 P200 Q202 P280T104-V154 HydrophobicContact CG2-CG1 4.14Å; V154-T199 HydrophobicContact CB-CG2 3.97Å; V154-T199 HydrophobicContact CG1-CG2 3.7Å; V154-T199 HydrophobicContact CG2-CG2 4.15Å; V154-P200 HydrophobicContact CG2-CG 4.09Å; V154-Q202 PolarHBondContact O-NE2 3.19Å; V154-Q202 VanDerWaalsContact O-NE2 3.09Å; V154-P280 HydrophobicContact CG1-CB 3.62Å; V154-P280 HydrophobicContact CG1-CG 4.18Å
155G93.8Very high92Very high22 Ų2279.7 Ų79.723%0.22743%0.433CS..SBendtrans80-170-177.600000114.3Y274 P280G155-Y274 WeakPolarHBondContact CA-OH 3.21Å; G155-P280 VanDerWaalsContact CA-O 3.27Å; G155-P280 WeakPolarHBondContact CA-O 3.27Å
156A94Very high92.2Very high44 Ų4477.9 Ų77.936%0.36442%0.421SS..SBendtrans-59.6138170.500000111.2L158 Q202 Y274 P285A156-L158 PolarHBondContact O-N 3Å; A156-Q202 PolarHBondContact O-NE2 3.12Å; A156-Y274 PolarHBondContact N-OH 3.26Å; A156-Y274 VanDerWaalsContact N-OH 3.16Å; A156-P285 HydrophobicContact CB-CG 3.9Å
157K94.4Very high92.5Very high171 Ų17176.6 Ų76.674%0.74341%0.414SS*.PPolyproline II helixtrans-64.1125.7178.6-173.4176.9-177.9178.20110.6K159K157-K159 PolarHBondContact O-N 3.2Å
158L95.1Very high92.8Very high29 Ų2980.4 Ų80.415%0.15242%0.416CS..PPolyproline II helixtrans-61.6118.5175.4176.959.3000110A105 E107 A156 R160 Q202 A204A105-L158 HydrophobicContact CB-CB 4.3Å; A105-L158 HydrophobicContact CB-CD1 4.26Å; E107-L158 HydrophobicContact CG-CD1 3.81Å; A156-L158 PolarHBondContact O-N 3Å; L158-R160 PolarHBondContact O-N 2.85Å; L158-Q202 HydrophobicContact CB-CB 3.93Å; L158-Q202 HydrophobicContact CD2-CB 4.22Å; L158-A204 HydrophobicContact CD2-CB 3.76Å
159K93.4Very high93.4Very high187 Ų18783 Ų8381%0.81343%0.431SS*.  trans-79.5108.3176.2-68.3-177.7-179178.60109.1K157K157-K159 PolarHBondContact O-N 3.2Å
160R93.4Very high94Very high194 Ų19480.9 Ų80.973%0.73241%0.413SS*.  trans-67.5138.6174.3-65.8-175.3177.3-169-4.7110.5L158L158-R160 PolarHBondContact O-N 2.85Å
161R95.1Very high94.5Very high81 Ų8183.5 Ų83.531%0.30641%0.414SS..  trans-78.5164175.6-56.7-178.2-176-129.57110.9E107 F165 Y206E107-R161 IonicContact OE1-NE 2.81Å; E107-R161 PolarHBondContact OE1-NE 2.93Å; E107-R161 VanDerWaalsContact OE1-NE 3.13Å; E107-R161 IonicContact OE2-CZ 3.4Å; E107-R161 IonicContact OE2-NE 3.67Å; E107-R161 PolarHBondContact OE2-NE 2.93Å; E107-R161 IonicContact OE2-NH2 2.63Å; E107-R161 PolarHBondContact OE2-NH2 3.01Å; R161-F165 HydrophobicContact CB-CD1 3.57Å; R161-F165 HydrophobicContact CB-CD2 4.41Å; R161-F165 HydrophobicContact CB-CE1 3.36Å; R161-F165 HydrophobicContact CB-CE2 4.25Å; R161-F165 HydrophobicContact CB-CG 4.1Å; R161-F165 HydrophobicContact CB-CZ 3.72Å; R161-F165 HydrophobicContact CG-CE1 4.22Å; R161-F165 HydrophobicContact CG-CE2 4.32Å; R161-F165 HydrophobicContact CG-CZ 4.07Å; R161-Y206 HydrophobicContact CB-CE1 3.75Å; R161-Y206 HydrophobicContact CG-CE1 4.28Å; R161-Y206 HydrophobicContact CG-CE2 4.49Å; R161-Y206 WeakPolarHBondContact CG-OH 3.39Å; R161-Y206 PolarHBondContact N-OH 3.28Å
162G94.3Very high94.7Very high43 Ų4385 Ų8544%0.44342%0.419SS..  trans-65.7176.4-178.600000113.6V164 F165G162-V164 PolarHBondContact O-N 2.87Å; G162-F165 WeakPolarHBondContact O-CD1 3.45Å
163L93.4Very high94.9Very high149 Ų14985.7 Ų85.778%0.7842%0.416SS*.SBendtrans-64.3-30.4178.7-66.1177000113P176L163-P176 WeakPolarHBondContact O-CD 3.31Å
164V95.9Very high95.1Very high55 Ų5581.2 Ų81.233%0.33339%0.388SS..SBendtrans-142.7132.4171.9-179.20000106.5G162 Y173 I175 V215G162-V164 PolarHBondContact O-N 2.87Å; V164-Y173 HydrophobicContact CG1-CD1 3.84Å; V164-I175 HydrophobicContact CG2-CG2 4.1Å; V164-V215 HydrophobicContact CG1-CG1 3.81Å; V164-V215 HydrophobicContact CG1-CG2 4.26Å; V164-V215 HydrophobicContact CG2-CG1 4.1Å
165F96.9Very high95.2Very high28 Ų2881 Ų8112%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-151154.5174.361-83.5000110.1F109 R161 G162 Y173 S174 Y206F109-F165 AromaticContact CE1-CE2 3.94Å; F109-F165 HydrophobicContact CE1-CE2 3.94Å; F109-F165 AromaticContact CE1-CZ 3.84Å; F109-F165 HydrophobicContact CE1-CZ 3.84Å; F109-F165 HydrophobicContact CZ-CE2 4.43Å; F109-F165 HydrophobicContact CZ-CZ 4.37Å; R161-F165 HydrophobicContact CB-CD1 3.57Å; R161-F165 HydrophobicContact CB-CD2 4.41Å; R161-F165 HydrophobicContact CB-CE1 3.36Å; R161-F165 HydrophobicContact CB-CE2 4.25Å; R161-F165 HydrophobicContact CB-CG 4.1Å; R161-F165 HydrophobicContact CB-CZ 3.72Å; R161-F165 HydrophobicContact CG-CE1 4.22Å; R161-F165 HydrophobicContact CG-CE2 4.32Å; R161-F165 HydrophobicContact CG-CZ 4.07Å; G162-F165 WeakPolarHBondContact O-CD1 3.45Å; F165-Y173 CarbonylContact O-C 3.33Å; F165-Y173 WeakPolarHBondContact O-CA 3.28Å; F165-S174 VanDerWaalsContact CZ-CB 3.49Å; F165-S174 PolarHBondContact N-O 2.91Å; F165-S174 VanDerWaalsContact N-O 3.12Å; F165-S174 PolarHBondContact O-N 2.89Å; F165-Y206 AromaticContact CE1-CD1 3.63Å; F165-Y206 HydrophobicContact CE1-CD1 3.63Å; F165-Y206 AromaticContact CE1-CE1 3.87Å; F165-Y206 HydrophobicContact CE1-CE1 3.87Å; F165-Y206 HydrophobicContact CE1-CG 4.29Å; F165-Y206 AromaticContact CZ-CD1 3.75Å; F165-Y206 HydrophobicContact CZ-CD1 3.75Å; F165-Y206 HydrophobicContact CZ-CD2 4.48Å; F165-Y206 HydrophobicContact CZ-CE1 4.11Å; F165-Y206 AromaticContact CZ-CG 3.95Å; F165-Y206 HydrophobicContact CZ-CG 3.95Å
166Y96.9Very high95.3Very high96 Ų9682.1 Ų82.138%0.37639%0.389SS..EExtended strand (participates in β ladder)trans-85123.8173-170.7-102.3000109.5K171 Y173Y166-K171 WeakPolarHBondContact OH-CA 3.39Å; Y166-K171 WeakPolarHBondContact OH-CB 3.43Å; Y166-K171 PolarHBondContact OH-O 3.14Å; Y166-K171 VanDerWaalsContact OH-O 3.04Å; Y166-Y173 HydrophobicContact CD2-CD1 4.45Å; Y166-Y173 AromaticContact CD2-CD2 3.88Å; Y166-Y173 HydrophobicContact CD2-CD2 3.88Å; Y166-Y173 HydrophobicContact CD2-CE1 4.37Å; Y166-Y173 AromaticContact CD2-CE2 3.77Å; Y166-Y173 HydrophobicContact CD2-CE2 3.77Å; Y166-Y173 HydrophobicContact CD2-CG 4.22Å; Y166-Y173 HydrophobicContact CE2-CD2 4.47Å; Y166-Y173 HydrophobicContact CE2-CE2 4.36Å
167S95Very high95.2Very high0 Ų082.3 Ų82.30%038%0.382CS..EExtended strand (participates in β ladder)trans-88.6124170.9169.60000109.8E169 F170 K171 E172S167-E169 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact OG-N 2.77Å; S167-E169 PolarHBondContact OG-OE2 3.3Å; S167-F170 WeakPolarHBondContact OG-CD2 3.45Å; S167-F170 PolarHBondContact OG-N 2.9Å; S167-K171 WeakPolarHBondContact O-CA 3.35Å; S167-K171 PolarHBondContact O-N 3.25Å; S167-E172 PolarHBondContact N-O 2.9Å; S167-E172 PolarHBondContact O-N 3.31Å
168Q93.8Very high94.7Very high139 Ų13982 Ų8265%0.6539%0.385SS*.THydrogen-bonded Turntrans-71.1-31.3175.1-65-62.3-15.500111.8
169E93.1Very high94.3Very high102 Ų10282.4 Ų82.448%0.47740%0.397SS..THydrogen-bonded Turntrans-65.8-41.1-180-5780.5179.400111.8S167 F270S167-E169 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact OG-N 2.77Å; S167-E169 PolarHBondContact OG-OE2 3.3Å; E169-F270 HydrophobicContact CB-CZ 4.07Å; E169-F270 HydrophobicContact CG-CE1 4.42Å; E169-F270 HydrophobicContact CG-CZ 4.02Å
170F95.3Very high94.2Very high45 Ų4573.6 Ų73.620%0.19736%0.359CS..THydrogen-bonded Turntrans-97.5-12.8179.9-58.8-71000113.8F109 S167 E172 N208 T268 F270F109-F170 HydrophobicContact CB-CD2 4.26Å; F109-F170 HydrophobicContact CB-CE1 4.5Å; F109-F170 HydrophobicContact CB-CE2 3.37Å; F109-F170 HydrophobicContact CB-CZ 3.51Å; F109-F170 AromaticContact CD1-CD2 3.94Å; F109-F170 HydrophobicContact CD1-CD2 3.94Å; F109-F170 AromaticContact CD1-CE2 3.52Å; F109-F170 HydrophobicContact CD1-CE2 3.52Å; F109-F170 AromaticContact CD2-CE2 3.87Å; F109-F170 HydrophobicContact CD2-CE2 3.87Å; F109-F170 HydrophobicContact CD2-CZ 4.37Å; F109-F170 HydrophobicContact CE1-CE2 4.23Å; F109-F170 HydrophobicContact CG-CD2 4.18Å; F109-F170 AromaticContact CG-CE2 3.31Å; F109-F170 HydrophobicContact CG-CE2 3.31Å; F109-F170 AromaticContact CG-CZ 3.92Å; F109-F170 HydrophobicContact CG-CZ 3.92Å; S167-F170 WeakPolarHBondContact OG-CD2 3.45Å; S167-F170 PolarHBondContact OG-N 2.9Å; F170-E172 HydrophobicContact CB-CB 4.31Å; F170-E172 PolarHBondContact O-N 2.91Å; F170-N208 WeakPolarHBondContact CD1-ND2 3.3Å; F170-N208 VanDerWaalsContact CD2-ND2 3.32Å; F170-N208 WeakPolarHBondContact CD2-ND2 3.34Å; F170-N208 WeakPolarHBondContact CD2-OD1 3.34Å; F170-N208 WeakPolarHBondContact CG-ND2 3.48Å; F170-T268 HydrophobicContact CZ-CG2 4.13Å; F170-F270 AromaticContact CE2-CE2 3.9Å; F170-F270 HydrophobicContact CE2-CE2 3.9Å; F170-F270 HydrophobicContact CE2-CZ 4.44Å; F170-F270 AromaticContact CZ-CE2 3.79Å; F170-F270 HydrophobicContact CZ-CE2 3.79Å; F170-F270 HydrophobicContact CZ-CZ 4.17Å
171K96.6Very high94.2Very high160 Ų16064.7 Ų64.770%0.69633%0.326SS*.THydrogen-bonded Turntrans55.630.4-170.4-57.3-178.3178.6-179.90113.1Y166 S167Y166-K171 WeakPolarHBondContact OH-CA 3.39Å; Y166-K171 WeakPolarHBondContact OH-CB 3.43Å; Y166-K171 PolarHBondContact OH-O 3.14Å; Y166-K171 VanDerWaalsContact OH-O 3.04Å; S167-K171 WeakPolarHBondContact O-CA 3.35Å; S167-K171 PolarHBondContact O-N 3.25Å
172E96.8Very high94.2Very high62 Ų6263.2 Ų63.229%0.2933%0.325SS..EExtended strand (participates in β ladder)trans-132.5161.7-177.9-70.3-176.3-162.500110.5S167 F170 N208 G210S167-E172 PolarHBondContact N-O 2.9Å; S167-E172 PolarHBondContact O-N 3.31Å; F170-E172 HydrophobicContact CB-CB 4.31Å; F170-E172 PolarHBondContact O-N 2.91Å; E172-N208 WeakPolarHBondContact OE2-CB 3.42Å; E172-G210 WeakPolarHBondContact OE2-CA 3.24Å; E172-G210 PolarHBondContact OE2-N 3.36Å; E172-G210 VanDerWaalsContact OE2-N 3.14Å
173Y97.8Very high94.2Very high65 Ų6562.6 Ų62.626%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-76.7141.2164.8-73.6-91.8000110.1V164 F165 Y166 V209 G210 L212 V215V164-Y173 HydrophobicContact CG1-CD1 3.84Å; F165-Y173 CarbonylContact O-C 3.33Å; F165-Y173 WeakPolarHBondContact O-CA 3.28Å; Y166-Y173 HydrophobicContact CD2-CD1 4.45Å; Y166-Y173 AromaticContact CD2-CD2 3.88Å; Y166-Y173 HydrophobicContact CD2-CD2 3.88Å; Y166-Y173 HydrophobicContact CD2-CE1 4.37Å; Y166-Y173 AromaticContact CD2-CE2 3.77Å; Y166-Y173 HydrophobicContact CD2-CE2 3.77Å; Y166-Y173 HydrophobicContact CD2-CG 4.22Å; Y166-Y173 HydrophobicContact CE2-CD2 4.47Å; Y166-Y173 HydrophobicContact CE2-CE2 4.36Å; Y173-V209 VanDerWaalsContact O-CG2 3.27Å; Y173-V209 WeakPolarHBondContact O-CG2 3.3Å; Y173-V209 PolarHBondContact O-N 3.37Å; Y173-G210 WeakPolarHBondContact CB-O 3.45Å; Y173-G210 PolarHBondContact N-O 2.93Å; Y173-L212 HydrophobicContact CE1-CD1 4.28Å; Y173-L212 HydrophobicContact CE2-CB 3.96Å; Y173-L212 HydrophobicContact CE2-CD1 4.23Å; Y173-V215 VanDerWaalsContact CB-CG2 3.44Å; Y173-V215 HydrophobicContact CD1-CG2 4.33Å; Y173-V215 HydrophobicContact CD2-CG2 4.37Å; Y173-V215 HydrophobicContact CG-CG2 3.81Å
174S97.4Very high94.3Very high0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-123.8151.8177.1-43.20000110.2F165 A207 N208F165-S174 VanDerWaalsContact CZ-CB 3.49Å; F165-S174 PolarHBondContact N-O 2.91Å; F165-S174 VanDerWaalsContact N-O 3.12Å; F165-S174 PolarHBondContact O-N 2.89Å; S174-A207 CarbonylContact C-O 3.25Å; S174-A207 WeakPolarHBondContact CA-O 3.5Å; S174-N208 PolarHBondContact OG-OD1 3.3Å
175I96.1Very high94.4Very high30 Ų3053.2 Ų53.215%0.15426%0.263CS..EExtended strand (participates in β ladder)trans-129.7158.5175.463.4167.8000109.8V164 F177 Y206 A207 V209 L218V164-I175 HydrophobicContact CG2-CG2 4.1Å; I175-F177 PolarHBondContact O-N 3.4Å; I175-Y206 CarbonylContact O-C 3.58Å; I175-Y206 WeakPolarHBondContact O-CA 3.28Å; I175-Y206 WeakPolarHBondContact O-CB 3.33Å; I175-A207 HydrophobicContact CG1-CB 4.45Å; I175-A207 PolarHBondContact N-O 3.36Å; I175-A207 PolarHBondContact O-N 3.38Å; I175-V209 HydrophobicContact CD1-CG1 3.98Å; I175-V209 HydrophobicContact CG1-CG1 3.88Å; I175-V209 HydrophobicContact CG2-CG2 4.27Å; I175-L218 HydrophobicContact CD1-CD2 3.44Å; I175-L218 VanDerWaalsContact CD1-CD2 3.44Å
176P95.8Very high94.4Very high45 Ų4557.4 Ų57.429%0.29228%0.281SS..EExtended strand (participates in β ladder)trans-54.4132.4168.7-25.434.9000111.5L163 M178L163-P176 WeakPolarHBondContact O-CD 3.31Å; P176-M178 PolarHBondContact O-N 3.28Å
177F92.6Very high94.3Very high48 Ų4854.2 Ų54.221%0.21127%0.269CS..  trans-69.7124.6174.2-178.7-110000109.6L110 I175 D181 A205 A207L110-F177 HydrophobicContact CD2-CD2 4.36Å; L110-F177 HydrophobicContact CD2-CE2 3.96Å; I175-F177 PolarHBondContact O-N 3.4Å; F177-D181 HydrophobicContact CD1-CB 4.06Å; F177-D181 HydrophobicContact CE1-CB 4.12Å; F177-D181 WeakPolarHBondContact CE1-OD1 3.35Å; F177-A205 HydrophobicContact CB-CB 3.91Å; F177-A205 HydrophobicContact CD1-CB 4.46Å; F177-A205 PolarHBondContact N-O 3.08Å; F177-A207 HydrophobicContact CD2-CB 4.35Å
178M84.3Confident94.4Very high163 Ų16354.2 Ų54.280%0.80327%0.269SS*.  trans-93.28.6-173.7-61.9-176.268.900113.9P176P176-M178 PolarHBondContact O-N 3.28Å
179G86.2Confident94.6Very high39 Ų3947.7 Ų47.740%0.40224%0.238SC..SBendtrans-87-161.9177.900000114
180S90.8Very high94.8Very high2 Ų244.5 Ų44.51%0.01422%0.222CC..SBendtrans-85.4-15.6-169.579.40000114.9D84 S85 V182 S183 V184D84-S180 PolarHBondContact O-OG 2.9Å; S85-S180 PolarHBondContact OG-OG 3.34Å; S180-V182 PolarHBondContact O-N 3.46Å; S180-V182 VanDerWaalsContact O-N 3.16Å; S180-S183 WeakPolarHBondContact O-CA 3.2Å; S180-S183 VanDerWaalsContact O-CB 3.3Å; S180-S183 WeakPolarHBondContact O-CB 3.21Å; S180-S183 PolarHBondContact O-N 2.88Å; S180-V184 PolarHBondContact O-N 2.79Å
181D94.8Very high94.9Very high7 Ų744.2 Ų44.24%0.03722%0.22CC..Hα-helixtrans-42.6-55.6-173.9-65.714.3000113.8A88 F177 S183 V184 V185 Y203 A205A88-D181 HydrophobicContact CB-CB 3.89Å; A88-D181 VanDerWaalsContact CB-CG 3.47Å; A88-D181 VanDerWaalsContact CB-OD2 3.28Å; A88-D181 WeakPolarHBondContact CB-OD2 3.37Å; F177-D181 HydrophobicContact CD1-CB 4.06Å; F177-D181 HydrophobicContact CE1-CB 4.12Å; F177-D181 WeakPolarHBondContact CE1-OD1 3.35Å; D181-S183 PolarHBondContact O-N 2.81Å; D181-V184 PolarHBondContact O-N 3.47Å; D181-V184 VanDerWaalsContact O-N 3.13Å; D181-V185 WeakPolarHBondContact O-CB 3.39Å; D181-V185 VanDerWaalsContact O-CG2 3.27Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 2.83Å; D181-Y203 HydrophobicContact CB-CE1 4.04Å; D181-A205 HydrophobicContact CB-CB 4.39Å
182V94.8Very high94.9Very high49 Ų4936.7 Ų36.730%0.29719%0.187SC..Hα-helixtrans-61.6-34.8-176.61770000111.4S180 K186 Y203 A205S180-V182 PolarHBondContact O-N 3.46Å; S180-V182 VanDerWaalsContact O-N 3.16Å; V182-K186 WeakPolarHBondContact O-CB 3.39Å; V182-K186 PolarHBondContact O-N 3.08Å; V182-Y203 HydrophobicContact CG2-CD1 4.22Å; V182-Y203 HydrophobicContact CG2-CE1 4.25Å; V182-A205 HydrophobicContact CG2-CB 3.93Å
183S93.8Very high94.8Very high31 Ų3136.7 Ų36.722%0.21719%0.187CC..Hα-helixtrans-71.9-42.2176.8-170.90000111.7R143 S180 D181 R187R143-S183 PolarHBondContact NH2-OG 3.14Å; S180-S183 WeakPolarHBondContact O-CA 3.2Å; S180-S183 VanDerWaalsContact O-CB 3.3Å; S180-S183 WeakPolarHBondContact O-CB 3.21Å; S180-S183 PolarHBondContact O-N 2.88Å; D181-S183 PolarHBondContact O-N 2.81Å; S183-R187 PolarHBondContact O-N 2.84Å
184V96.6Very high94.7Very high6 Ų636.5 Ų36.54%0.03619%0.192CC..Hα-helixtrans-74.4-49-176.3177.70000111L59 S85 S180 D181 K186 R187 S188L59-V184 HydrophobicContact CD1-CG2 3.95Å; S85-V184 WeakPolarHBondContact OG-CB 3.4Å; S85-V184 VanDerWaalsContact OG-CG2 3.25Å; S85-V184 WeakPolarHBondContact OG-CG2 3.25Å; S180-V184 PolarHBondContact O-N 2.79Å; D181-V184 PolarHBondContact O-N 3.47Å; D181-V184 VanDerWaalsContact O-N 3.13Å; V184-K186 VanDerWaalsContact C-N 3.3Å; V184-K186 PolarHBondContact O-N 3.3Å; V184-R187 WeakPolarHBondContact O-CA 3.37Å; V184-R187 WeakPolarHBondContact O-CB 3.3Å; V184-R187 PolarHBondContact O-N 3.5Å; V184-S188 PolarHBondContact O-N 2.7Å; V184-S188 PolarHBondContact O-OG 2.66Å
185V97.7Very high94.6Very high1 Ų142.5 Ų42.51%0.00622%0.221CC..Hα-helixtrans-55.6-46.3173.6175.40000110.5A88 D89 V92 D181 R187 S188 Q189 Y203A88-V185 HydrophobicContact CB-CG2 4.29Å; D89-V185 HydrophobicContact CB-CG2 4.29Å; V92-V185 HydrophobicContact CG1-CG1 4.46Å; V92-V185 HydrophobicContact CG2-CG1 4.1Å; V92-V185 HydrophobicContact CG2-CG2 4.5Å; D181-V185 WeakPolarHBondContact O-CB 3.39Å; D181-V185 VanDerWaalsContact O-CG2 3.27Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 2.83Å; V185-R187 PolarHBondContact O-N 2.88Å; V185-S188 WeakPolarHBondContact O-CB 3.46Å; V185-S188 PolarHBondContact O-N 3.12Å; V185-S188 VanDerWaalsContact O-N 3.12Å; V185-Q189 HydrophobicContact CG1-CG 4.06Å; V185-Q189 VanDerWaalsContact O-CG 3.3Å; V185-Q189 WeakPolarHBondContact O-CG 3.32Å; V185-Q189 PolarHBondContact O-N 2.86Å; V185-Y203 HydrophobicContact CB-CD1 3.63Å; V185-Y203 HydrophobicContact CB-CE1 3.97Å; V185-Y203 HydrophobicContact CB-CG 4.19Å; V185-Y203 HydrophobicContact CG1-CD1 3.68Å; V185-Y203 HydrophobicContact CG1-CD2 4.37Å; V185-Y203 HydrophobicContact CG1-CE1 4.32Å; V185-Y203 HydrophobicContact CG1-CG 3.69Å; V185-Y203 HydrophobicContact CG2-CD1 3.77Å; V185-Y203 HydrophobicContact CG2-CE1 3.57Å; V185-Y203 HydrophobicContact CG2-CG 4.42Å
186K95.9Very high94.6Very high115 Ų11544.1 Ų44.150%0.523%0.229SC..Hα-helixtrans-60.7-34.3177.9-176.2172.8-176.5175.10112.6V151 V182 V184 R190V151-K186 HydrophobicContact CG2-CG 4.29Å; V182-K186 WeakPolarHBondContact O-CB 3.39Å; V182-K186 PolarHBondContact O-N 3.08Å; V184-K186 VanDerWaalsContact C-N 3.3Å; V184-K186 PolarHBondContact O-N 3.3Å; K186-R190 PolarHBondContact O-N 3.06Å; K186-R190 VanDerWaalsContact O-N 3.08Å
187R95.6Very high94.5Very high30 Ų3050.6 Ų50.611%0.11326%0.256CS..Hα-helixtrans-70.4-41.5175.6-177178.7169.8-168.4-1.4111.1S183 V184 V185 R190 Y191 V327S183-R187 PolarHBondContact O-N 2.84Å; V184-R187 WeakPolarHBondContact O-CA 3.37Å; V184-R187 WeakPolarHBondContact O-CB 3.3Å; V184-R187 PolarHBondContact O-N 3.5Å; V185-R187 PolarHBondContact O-N 2.88Å; R187-R190 WeakPolarHBondContact O-CB 3.26Å; R187-R190 PolarHBondContact O-N 3.01Å; R187-Y191 PolarHBondContact O-N 3.29Å; R187-Y191 VanDerWaalsContact O-N 3.12Å; R187-V327 PolarHBondContact NH2-O 3.22Å
188S97.7Very high94.6Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-61.1-50.8173.4-64.10000111.5D89 V184 V185 R190 Y191 L192 S329 G331 A332D89-S188 WeakPolarHBondContact OD1-CB 3.32Å; D89-S188 PolarHBondContact OD1-OG 2.96Å; D89-S188 PolarHBondContact OD2-OG 3.25Å; V184-S188 PolarHBondContact O-N 2.7Å; V184-S188 PolarHBondContact O-OG 2.66Å; V185-S188 WeakPolarHBondContact O-CB 3.46Å; V185-S188 PolarHBondContact O-N 3.12Å; V185-S188 VanDerWaalsContact O-N 3.12Å; S188-R190 PolarHBondContact O-N 2.85Å; S188-Y191 WeakPolarHBondContact O-CB 3.31Å; S188-Y191 PolarHBondContact O-N 3.03Å; S188-L192 VanDerWaalsContact O-CG 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.41Å; S188-L192 PolarHBondContact O-N 3.08Å; S188-S329 WeakPolarHBondContact CA-OG 3.33Å; S188-S329 PolarHBondContact N-OG 2.9Å; S188-S329 VanDerWaalsContact OG-CB 3.26Å; S188-S329 WeakPolarHBondContact OG-CB 3.24Å; S188-S329 PolarHBondContact OG-OG 2.95Å; S188-G331 WeakPolarHBondContact OG-CA 3.34Å; S188-G331 PolarHBondContact OG-N 2.92Å; S188-A332 PolarHBondContact OG-N 3.31Å
189Q98Very high95.1Very high2 Ų244.9 Ų44.91%0.00923%0.231CC..Hα-helixtrans-59.4-33.3177.4-63.5-53.9-56.800112.7V185 H193 P200V185-Q189 HydrophobicContact CG1-CG 4.06Å; V185-Q189 VanDerWaalsContact O-CG 3.3Å; V185-Q189 WeakPolarHBondContact O-CG 3.32Å; V185-Q189 PolarHBondContact O-N 2.86Å; Q189-H193 VanDerWaalsContact O-CB 3.26Å; Q189-H193 WeakPolarHBondContact O-CB 3.3Å; Q189-H193 PolarHBondContact O-N 3.04Å; Q189-P200 HydrophobicContact CB-CB 4.43Å
190R96.7Very high95.6Very high35 Ų3543.1 Ų43.113%0.13221%0.213CC..Hα-helixtrans-63-49.5172.2-174.1-178.5-64.8120-1.9111.6Y148 T149 V151 K186 R187 S188 H193 T194Y148-R190 VanDerWaalsContact CB-CZ 3.41Å; T149-R190 PolarHBondContact O-NE 2.99Å; V151-R190 HydrophobicContact CG2-CB 3.65Å; V151-R190 HydrophobicContact CG2-CG 4.19Å; K186-R190 PolarHBondContact O-N 3.06Å; K186-R190 VanDerWaalsContact O-N 3.08Å; R187-R190 WeakPolarHBondContact O-CB 3.26Å; R187-R190 PolarHBondContact O-N 3.01Å; S188-R190 PolarHBondContact O-N 2.85Å; R190-H193 PolarHBondContact O-N 3.07Å; R190-T194 HydrophobicContact CG-CG2 4.27Å; R190-T194 WeakPolarHBondContact O-CG2 3.48Å; R190-T194 PolarHBondContact O-N 3.24Å; R190-T194 PolarHBondContact O-OG1 2.92Å
191Y96.4Very high95.9Very high39 Ų3943.4 Ų43.415%0.15322%0.215CC..Hα-helixtrans-60.5-48179.5173.3-92.3000111.3R187 S188 H193 T194 Q195 L196 P322 Y328 A332R187-Y191 PolarHBondContact O-N 3.29Å; R187-Y191 VanDerWaalsContact O-N 3.12Å; S188-Y191 WeakPolarHBondContact O-CB 3.31Å; S188-Y191 PolarHBondContact O-N 3.03Å; Y191-H193 VanDerWaalsContact C-N 3.26Å; Y191-H193 PolarHBondContact O-N 2.87Å; Y191-T194 PolarHBondContact O-N 3.28Å; Y191-Q195 HydrophobicContact CD2-CB 4.05Å; Y191-Q195 HydrophobicContact CD2-CG 3.58Å; Y191-Q195 HydrophobicContact CE1-CB 4.47Å; Y191-Q195 HydrophobicContact CE2-CB 3.77Å; Y191-Q195 HydrophobicContact CE2-CG 3.56Å; Y191-Q195 HydrophobicContact CG-CB 4.5Å; Y191-Q195 HydrophobicContact CG-CG 4.33Å; Y191-Q195 WeakPolarHBondContact O-CA 3.31Å; Y191-Q195 VanDerWaalsContact O-CB 3.29Å; Y191-Q195 WeakPolarHBondContact O-CB 3.4Å; Y191-Q195 PolarHBondContact O-N 3.36Å; Y191-L196 HydrophobicContact CE1-CD1 4.16Å; Y191-L196 HydrophobicContact CE1-CD2 4.48Å; Y191-L196 HydrophobicContact CE1-CG 4.09Å; Y191-P322 HydrophobicContact CE2-CB 4.44Å; Y191-P322 HydrophobicContact CE2-CG 4.46Å; Y191-P322 VanDerWaalsContact OH-CB 3.27Å; Y191-P322 WeakPolarHBondContact OH-CB 3.37Å; Y191-P322 WeakPolarHBondContact OH-CG 3.49Å; Y191-Y328 HydrophobicContact CD2-CD1 4.26Å; Y191-Y328 AromaticContact CD2-CE1 3.96Å; Y191-Y328 HydrophobicContact CD2-CE1 3.96Å; Y191-Y328 HydrophobicContact CE2-CD1 4.21Å; Y191-Y328 AromaticContact CE2-CE1 3.6Å; Y191-Y328 HydrophobicContact CE2-CE1 3.6Å; Y191-A332 HydrophobicContact CD1-CB 3.61Å; Y191-A332 HydrophobicContact CD2-CB 4.34Å; Y191-A332 HydrophobicContact CE1-CB 4.37Å; Y191-A332 VanDerWaalsContact CE1-O 3.31Å; Y191-A332 WeakPolarHBondContact CE1-O 3.36Å; Y191-A332 HydrophobicContact CG-CB 3.6Å
192L96.8Very high96.1Very high1 Ų144.6 Ų44.61%0.00522%0.22CC..Hα-helixtrans-60.1-39.4179.6-60.5169.5000111.5L93 S188 L196 Q197 E198 S335L93-L192 HydrophobicContact CD2-CD1 3.45Å; L93-L192 VanDerWaalsContact CD2-CD1 3.45Å; S188-L192 VanDerWaalsContact O-CG 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.41Å; S188-L192 PolarHBondContact O-N 3.08Å; L192-L196 HydrophobicContact CD2-CD1 3.62Å; L192-L196 HydrophobicContact CD2-CG 4.46Å; L192-L196 CarbonylContact O-C 3.59Å; L192-L196 VanDerWaalsContact O-C 3.27Å; L192-L196 WeakPolarHBondContact O-CA 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.24Å; L192-L196 PolarHBondContact O-N 2.67Å; L192-L196 VanDerWaalsContact O-N 3.12Å; L192-Q197 PolarHBondContact O-N 3.45Å; L192-E198 HydrophobicContact CB-CB 4.2Å; L192-E198 PolarHBondContact O-N 3.32Å; L192-S335 WeakPolarHBondContact CD2-OG 3.4Å
193H96.3Very high96.2Very high63 Ų6343.2 Ų43.229%0.29221%0.21SC..Hα-helixtrans-69.6-49.5176.1178.958.1000113.3P152 Q189 R190 Y191 Q197 E198 P200P152-H193 VanDerWaalsContact CD-CD2 3.46Å; P152-H193 WeakPolarHBondContact CD-CD2 3.46Å; P152-H193 WeakPolarHBondContact CG-NE2 3.37Å; Q189-H193 VanDerWaalsContact O-CB 3.26Å; Q189-H193 WeakPolarHBondContact O-CB 3.3Å; Q189-H193 PolarHBondContact O-N 3.04Å; R190-H193 PolarHBondContact O-N 3.07Å; Y191-H193 VanDerWaalsContact C-N 3.26Å; Y191-H193 PolarHBondContact O-N 2.87Å; H193-Q197 WeakPolarHBondContact O-CA 3.48Å; H193-Q197 PolarHBondContact O-N 2.82Å; H193-E198 WeakPolarHBondContact CA-O 3.41Å; H193-E198 PolarHBondContact ND1-O 2.83Å; H193-P200 HydrophobicContact CB-CB 4.27Å; H193-P200 HydrophobicContact CB-CG 4.37Å
194T94.9Very high96.4Very high60 Ų6042 Ų4237%0.36820%0.202SC..Hα-helixtrans-82.3-29.2-171.6610000113.8R190 Y191R190-T194 HydrophobicContact CG-CG2 4.27Å; R190-T194 WeakPolarHBondContact O-CG2 3.48Å; R190-T194 PolarHBondContact O-N 3.24Å; R190-T194 PolarHBondContact O-OG1 2.92Å; Y191-T194 PolarHBondContact O-N 3.28Å
195Q95.1Very high96.5Very high126 Ų12642 Ų4259%0.58920%0.202SC*.Hα-helixtrans-105.4-33.8-175.8-55.9-57.8-49.100112.7Y191Y191-Q195 HydrophobicContact CD2-CB 4.05Å; Y191-Q195 HydrophobicContact CD2-CG 3.58Å; Y191-Q195 HydrophobicContact CE1-CB 4.47Å; Y191-Q195 HydrophobicContact CE2-CB 3.77Å; Y191-Q195 HydrophobicContact CE2-CG 3.56Å; Y191-Q195 HydrophobicContact CG-CB 4.5Å; Y191-Q195 HydrophobicContact CG-CG 4.33Å; Y191-Q195 WeakPolarHBondContact O-CA 3.31Å; Y191-Q195 VanDerWaalsContact O-CB 3.29Å; Y191-Q195 WeakPolarHBondContact O-CB 3.4Å; Y191-Q195 PolarHBondContact O-N 3.36Å
196L95.6Very high96.5Very high65 Ų6542.2 Ų42.234%0.3420%0.203SC..Hα-helixtrans-108.90.5-177.7-52-171.9000113.7Y191 L192 E198Y191-L196 HydrophobicContact CE1-CD1 4.16Å; Y191-L196 HydrophobicContact CE1-CD2 4.48Å; Y191-L196 HydrophobicContact CE1-CG 4.09Å; L192-L196 HydrophobicContact CD2-CD1 3.62Å; L192-L196 HydrophobicContact CD2-CG 4.46Å; L192-L196 CarbonylContact O-C 3.59Å; L192-L196 VanDerWaalsContact O-C 3.27Å; L192-L196 WeakPolarHBondContact O-CA 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.24Å; L192-L196 PolarHBondContact O-N 2.67Å; L192-L196 VanDerWaalsContact O-N 3.12Å; L196-E198 HydrophobicContact CB-CG 3.98Å; L196-E198 PolarHBondContact O-N 3.11Å; L196-E198 VanDerWaalsContact O-N 3.1Å
197Q94.8Very high96.5Very high180 Ų18037.6 Ų37.684%0.84119%0.186SC*.  trans55.924.4-178.9-56.6178.5-600113.7L192 H193L192-Q197 PolarHBondContact O-N 3.45Å; H193-Q197 WeakPolarHBondContact O-CA 3.48Å; H193-Q197 PolarHBondContact O-N 2.82Å
198E94.9Very high96.6Very high36 Ų3636.9 Ų36.917%0.16818%0.184CC..PPolyproline II helixtrans-78.8151.1177.7-64.2-175.8165.800110.8R96 L192 H193 L196 P200 K336R96-E198 IonicContact CZ-OE2 2.86Å; R96-E198 VanDerWaalsContact CZ-OE2 3.26Å; R96-E198 IonicContact NH1-OE2 3.45Å; R96-E198 PolarHBondContact NH1-OE2 3.44Å; R96-E198 IonicContact NH2-OE2 2.66Å; R96-E198 PolarHBondContact NH2-OE2 3.3Å; L192-E198 HydrophobicContact CB-CB 4.2Å; L192-E198 PolarHBondContact O-N 3.32Å; H193-E198 WeakPolarHBondContact CA-O 3.41Å; H193-E198 PolarHBondContact ND1-O 2.83Å; L196-E198 HydrophobicContact CB-CG 3.98Å; L196-E198 PolarHBondContact O-N 3.11Å; L196-E198 VanDerWaalsContact O-N 3.1Å; E198-P200 WeakPolarHBondContact O-CD 3.25Å; E198-K336 WeakPolarHBondContact OE1-CE 3.38Å; E198-K336 IonicContact OE1-NZ 2.68Å; E198-K336 PolarHBondContact OE1-NZ 3.38Å
199T94.4Very high96.5Very high55 Ų5538.5 Ų38.534%0.33719%0.194SC..PPolyproline II helixtrans-66.8122173.9-53.50000109.9T102 V154T102-T199 HydrophobicContact CG2-CG2 3.71Å; V154-T199 HydrophobicContact CB-CG2 3.97Å; V154-T199 HydrophobicContact CG1-CG2 3.7Å; V154-T199 HydrophobicContact CG2-CG2 4.15Å
200P95.4Very high96.3Very high3 Ų339.1 Ų39.12%0.01920%0.201CC..PPolyproline II helixtrans-73.3141.9179.728-32.4000111.5V151 P152 V154 Q189 H193 E198V151-P200 HydrophobicContact CG1-CB 3.35Å; V151-P200 HydrophobicContact CG1-CG 3.89Å; P152-P200 HydrophobicContact CG-CG 3.92Å; V154-P200 HydrophobicContact CG2-CG 4.09Å; Q189-P200 HydrophobicContact CB-CB 4.43Å; H193-P200 HydrophobicContact CB-CB 4.27Å; H193-P200 HydrophobicContact CB-CG 4.37Å; E198-P200 WeakPolarHBondContact O-CD 3.25Å
201V97.7Very high96.3Very high8 Ų839.5 Ų39.55%0.04822%0.216CC..PPolyproline II helixtrans-96.7128.3177.1-179.30000110.2V92 L103 V106V92-V201 HydrophobicContact CG1-CB 4.16Å; V92-V201 HydrophobicContact CG1-CG1 4.11Å; V92-V201 HydrophobicContact CG1-CG2 4.45Å; L103-V201 HydrophobicContact CB-CG2 4.47Å; L103-V201 HydrophobicContact CD2-CG1 4.28Å; L103-V201 HydrophobicContact CD2-CG2 4.09Å; L103-V201 HydrophobicContact CG-CG1 4.33Å; L103-V201 HydrophobicContact CG-CG2 4.17Å; V106-V201 HydrophobicContact CB-CG1 4.02Å; V106-V201 HydrophobicContact CG2-CG1 3.61Å
202Q97.9Very high96Very high31 Ų3142.1 Ų42.115%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-70.9132.4168.2-61.817574.900109.4T104 A105 V106 V154 A156 L158T104-Q202 WeakPolarHBondContact O-CB 3.34Å; T104-Q202 PolarHBondContact O-N 3.3Å; A105-Q202 CarbonylContact C-O 3.49Å; A105-Q202 WeakPolarHBondContact CA-O 3.31Å; A105-Q202 HydrophobicContact CB-CB 4.4Å; V106-Q202 PolarHBondContact N-O 3.36Å; V154-Q202 PolarHBondContact O-NE2 3.19Å; V154-Q202 VanDerWaalsContact O-NE2 3.09Å; A156-Q202 PolarHBondContact O-NE2 3.12Å; L158-Q202 HydrophobicContact CB-CB 3.93Å; L158-Q202 HydrophobicContact CD2-CB 4.22Å
203Y98.1Very high95.9Very high21 Ų2143.9 Ų43.98%0.08225%0.25CS..EExtended strand (participates in β ladder)trans-128.2136.2-174.1-177.6-116.3000112.8A88 V92 V106 S108 D181 V182 V185 A205A88-Y203 WeakPolarHBondContact CB-OH 3.42Å; V92-Y203 HydrophobicContact CG2-CD2 3.58Å; V92-Y203 HydrophobicContact CG2-CE2 3.58Å; V92-Y203 HydrophobicContact CG2-CG 4.34Å; V106-Y203 HydrophobicContact CB-CD2 4.16Å; V106-Y203 HydrophobicContact CG1-CD2 4.01Å; V106-Y203 HydrophobicContact CG1-CE2 4.16Å; V106-Y203 WeakPolarHBondContact O-CA 3.09Å; S108-Y203 WeakPolarHBondContact CB-OH 3.44Å; S108-Y203 WeakPolarHBondContact OG-CE2 3.37Å; S108-Y203 VanDerWaalsContact OG-CZ 3.28Å; S108-Y203 PolarHBondContact OG-OH 3.05Å; D181-Y203 HydrophobicContact CB-CE1 4.04Å; V182-Y203 HydrophobicContact CG2-CD1 4.22Å; V182-Y203 HydrophobicContact CG2-CE1 4.25Å; V185-Y203 HydrophobicContact CB-CD1 3.63Å; V185-Y203 HydrophobicContact CB-CE1 3.97Å; V185-Y203 HydrophobicContact CB-CG 4.19Å; V185-Y203 HydrophobicContact CG1-CD1 3.68Å; V185-Y203 HydrophobicContact CG1-CD2 4.37Å; V185-Y203 HydrophobicContact CG1-CE1 4.32Å; V185-Y203 HydrophobicContact CG1-CG 3.69Å; V185-Y203 HydrophobicContact CG2-CD1 3.77Å; V185-Y203 HydrophobicContact CG2-CE1 3.57Å; V185-Y203 HydrophobicContact CG2-CG 4.42Å; Y203-A205 HydrophobicContact CE1-CB 3.87Å
204A97.9Very high95.7Very high6 Ų643 Ų435%0.0525%0.252CS..EExtended strand (participates in β ladder)trans-131.3143.3166.600000109.6V106 E107 S108 L158 Y206V106-A204 PolarHBondContact O-N 3.11Å; E107-A204 CarbonylContact C-O 3.58Å; E107-A204 WeakPolarHBondContact CA-O 3.28Å; E107-A204 HydrophobicContact CG-CB 4.45Å; S108-A204 PolarHBondContact N-O 3.46Å; L158-A204 HydrophobicContact CD2-CB 3.76Å; A204-Y206 HydrophobicContact CB-CE2 3.82Å
205A97.8Very high95.6Very high5 Ų540.7 Ų40.74%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-126137.2-178.300000110.4S108 F177 D181 V182 Y203S108-A205 WeakPolarHBondContact OG-CA 3.42Å; S108-A205 WeakPolarHBondContact OG-CB 3.43Å; F177-A205 HydrophobicContact CB-CB 3.91Å; F177-A205 HydrophobicContact CD1-CB 4.46Å; F177-A205 PolarHBondContact N-O 3.08Å; D181-A205 HydrophobicContact CB-CB 4.39Å; V182-A205 HydrophobicContact CG2-CB 3.93Å; Y203-A205 HydrophobicContact CE1-CB 3.87Å
206Y98Very high95.4Very high6 Ų640 Ų402%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-134.1158.3-179.1-50.9-80.8000110.7E107 S108 F109 L110 R161 F165 I175 A204E107-Y206 HydrophobicContact CB-CD2 4.5Å; E107-Y206 HydrophobicContact CB-CE2 4.04Å; E107-Y206 HydrophobicContact CG-CE2 4.05Å; E107-Y206 WeakPolarHBondContact OE1-CE2 3.41Å; E107-Y206 PolarHBondContact OE1-OH 3.47Å; S108-Y206 WeakPolarHBondContact O-CD2 3.23Å; S108-Y206 PolarHBondContact O-N 2.71Å; F109-Y206 CarbonylContact C-O 3.56Å; F109-Y206 WeakPolarHBondContact CA-O 3.41Å; F109-Y206 HydrophobicContact CD1-CD2 4.31Å; F109-Y206 HydrophobicContact CD1-CG 4.42Å; F109-Y206 HydrophobicContact CD2-CD2 4.47Å; F109-Y206 AromaticContact CE1-CD2 3.85Å; F109-Y206 HydrophobicContact CE1-CD2 3.85Å; F109-Y206 HydrophobicContact CE1-CG 4.06Å; F109-Y206 HydrophobicContact CE2-CD2 4.01Å; F109-Y206 AromaticContact CZ-CD2 3.67Å; F109-Y206 HydrophobicContact CZ-CD2 3.67Å; F109-Y206 HydrophobicContact CZ-CE2 4.18Å; F109-Y206 HydrophobicContact CZ-CG 4.34Å; L110-Y206 PolarHBondContact N-O 3.11Å; R161-Y206 HydrophobicContact CB-CE1 3.75Å; R161-Y206 HydrophobicContact CG-CE1 4.28Å; R161-Y206 HydrophobicContact CG-CE2 4.49Å; R161-Y206 WeakPolarHBondContact CG-OH 3.39Å; R161-Y206 PolarHBondContact N-OH 3.28Å; F165-Y206 AromaticContact CE1-CD1 3.63Å; F165-Y206 HydrophobicContact CE1-CD1 3.63Å; F165-Y206 AromaticContact CE1-CE1 3.87Å; F165-Y206 HydrophobicContact CE1-CE1 3.87Å; F165-Y206 HydrophobicContact CE1-CG 4.29Å; F165-Y206 AromaticContact CZ-CD1 3.75Å; F165-Y206 HydrophobicContact CZ-CD1 3.75Å; F165-Y206 HydrophobicContact CZ-CD2 4.48Å; F165-Y206 HydrophobicContact CZ-CE1 4.11Å; F165-Y206 AromaticContact CZ-CG 3.95Å; F165-Y206 HydrophobicContact CZ-CG 3.95Å; I175-Y206 CarbonylContact O-C 3.58Å; I175-Y206 WeakPolarHBondContact O-CA 3.28Å; I175-Y206 WeakPolarHBondContact O-CB 3.33Å; A204-Y206 HydrophobicContact CB-CE2 3.82Å
207A97.3Very high95.2Very high17 Ų1743.9 Ų43.914%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-121.3134171.500000109.7L110 S174 I175 F177L110-A207 WeakPolarHBondContact O-CA 3.11Å; S174-A207 CarbonylContact C-O 3.25Å; S174-A207 WeakPolarHBondContact CA-O 3.5Å; I175-A207 HydrophobicContact CG1-CB 4.45Å; I175-A207 PolarHBondContact N-O 3.36Å; I175-A207 PolarHBondContact O-N 3.38Å; F177-A207 HydrophobicContact CD2-CB 4.35Å
208N97.4Very high95Very high15 Ų1539.3 Ų39.38%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-80.5126.1171.7-63.8-37000108.7L110 T111 F170 E172 S174L110-N208 PolarHBondContact O-N 3.2Å; T111-N208 PolarHBondContact OG1-ND2 3.34Å; F170-N208 WeakPolarHBondContact CD1-ND2 3.3Å; F170-N208 VanDerWaalsContact CD2-ND2 3.32Å; F170-N208 WeakPolarHBondContact CD2-ND2 3.34Å; F170-N208 WeakPolarHBondContact CD2-OD1 3.34Å; F170-N208 WeakPolarHBondContact CG-ND2 3.48Å; E172-N208 WeakPolarHBondContact OE2-CB 3.42Å; S174-N208 PolarHBondContact OG-OD1 3.3Å
209V94.8Very high94.9Very high34 Ų3442.5 Ų42.521%0.20625%0.246CC..EExtended strand (participates in β ladder)trans-1188.2-172-63.20000112.5Y173 I175 S214 V215 L218Y173-V209 VanDerWaalsContact O-CG2 3.27Å; Y173-V209 WeakPolarHBondContact O-CG2 3.3Å; Y173-V209 PolarHBondContact O-N 3.37Å; I175-V209 HydrophobicContact CD1-CG1 3.98Å; I175-V209 HydrophobicContact CG1-CG1 3.88Å; I175-V209 HydrophobicContact CG2-CG2 4.27Å; V209-S214 WeakPolarHBondContact O-CB 3.32Å; V209-S214 PolarHBondContact O-OG 3.1Å; V209-V215 HydrophobicContact CG2-CG2 3.82Å; V209-L218 HydrophobicContact CG1-CD2 4.03Å
210G94.4Very high94.8Very high16 Ų1645.9 Ų45.917%0.16526%0.262CS..EExtended strand (participates in β ladder)trans82.1-145.8-179.100000114.1E172 Y173E172-G210 WeakPolarHBondContact OE2-CA 3.24Å; E172-G210 PolarHBondContact OE2-N 3.36Å; E172-G210 VanDerWaalsContact OE2-N 3.14Å; Y173-G210 WeakPolarHBondContact CB-O 3.45Å; Y173-G210 PolarHBondContact N-O 2.93Å
211G95.3Very high94.6Very high42 Ų4248.2 Ų48.243%0.43328%0.281SS..SBendtrans-78.4177.3-174.800000114.9G213 S214 V215G211-G213 PolarHBondContact O-N 2.95Å; G211-S214 WeakPolarHBondContact O-CB 3.41Å; G211-S214 PolarHBondContact O-N 3.36Å; G211-V215 PolarHBondContact O-N 3.37Å
212L91.9Very high94.2Very high94 Ų9449.2 Ų49.249%0.49229%0.293SS..Hα-helixtrans-57.5-33.8-178.8-169.366000113.1Y173 S214 V215 M216Y173-L212 HydrophobicContact CE1-CD1 4.28Å; Y173-L212 HydrophobicContact CE2-CB 3.96Å; Y173-L212 HydrophobicContact CE2-CD1 4.23Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.03Å; L212-V215 WeakPolarHBondContact O-CB 3.45Å; L212-V215 PolarHBondContact O-N 3.12Å; L212-M216 WeakPolarHBondContact O-CG 3.37Å; L212-M216 PolarHBondContact O-N 3.48Å
213G93.3Very high93.9Very high38 Ų3851.9 Ų51.939%0.39231%0.308SS..Hα-helixtrans-61.6-37.8174.700000113.6G211 K217G211-G213 PolarHBondContact O-N 2.95Å; G213-K217 WeakPolarHBondContact O-CG 3.48Å; G213-K217 PolarHBondContact O-N 3Å; G213-K217 VanDerWaalsContact O-N 3.13Å
214S92Very high93.7Very high46 Ų4654.9 Ų54.932%0.32233%0.325SS..Hα-helixtrans-69.1-39.8175.2-64.30000111.8V209 G211 L212 K217 L218V209-S214 WeakPolarHBondContact O-CB 3.32Å; V209-S214 PolarHBondContact O-OG 3.1Å; G211-S214 WeakPolarHBondContact O-CB 3.41Å; G211-S214 PolarHBondContact O-N 3.36Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.03Å; S214-K217 PolarHBondContact O-N 3.3Å; S214-L218 WeakPolarHBondContact O-CB 3.32Å; S214-L218 PolarHBondContact O-N 3.2Å
215V92.6Very high93.4Very high11 Ų1155.8 Ų55.87%0.06733%0.327CS..Hα-helixtrans-58.3-49.6173.71760000110.8V164 Y173 V209 G211 L212 K217 L218 M219V164-V215 HydrophobicContact CG1-CG1 3.81Å; V164-V215 HydrophobicContact CG1-CG2 4.26Å; V164-V215 HydrophobicContact CG2-CG1 4.1Å; Y173-V215 VanDerWaalsContact CB-CG2 3.44Å; Y173-V215 HydrophobicContact CD1-CG2 4.33Å; Y173-V215 HydrophobicContact CD2-CG2 4.37Å; Y173-V215 HydrophobicContact CG-CG2 3.81Å; V209-V215 HydrophobicContact CG2-CG2 3.82Å; G211-V215 PolarHBondContact O-N 3.37Å; L212-V215 WeakPolarHBondContact O-CB 3.45Å; L212-V215 PolarHBondContact O-N 3.12Å; V215-K217 PolarHBondContact O-N 2.89Å; V215-L218 PolarHBondContact O-N 2.87Å; V215-M219 HydrophobicContact CG1-CG 4.24Å; V215-M219 WeakPolarHBondContact O-CB 3.18Å; V215-M219 VanDerWaalsContact O-CG 3.3Å; V215-M219 WeakPolarHBondContact O-CG 3.39Å; V215-M219 PolarHBondContact O-N 3.43Å
216M92.8Very high93Very high111 Ų11159.9 Ų59.955%0.54735%0.348SS..Hα-helixtrans-60-45.4179.6-70.5-172.9-66.200111.9L212 L218 M219 L220L212-M216 WeakPolarHBondContact O-CG 3.37Å; L212-M216 PolarHBondContact O-N 3.48Å; M216-L218 PolarHBondContact O-N 3.46Å; M216-M219 PolarHBondContact O-N 2.96Å; M216-L220 WeakPolarHBondContact O-CG 3.18Å; M216-L220 PolarHBondContact O-N 3.5Å
217K91.3Very high92.8Very high147 Ų14764.2 Ų64.264%0.63937%0.371SS*.Hα-helixtrans-59-46.4175.9-74.4-176.5-64.7178.10111.8G213 S214 V215 L220 A221G213-K217 WeakPolarHBondContact O-CG 3.48Å; G213-K217 PolarHBondContact O-N 3Å; G213-K217 VanDerWaalsContact O-N 3.13Å; S214-K217 PolarHBondContact O-N 3.3Å; V215-K217 PolarHBondContact O-N 2.89Å; K217-L220 PolarHBondContact O-N 2.94Å; K217-A221 WeakPolarHBondContact O-CB 3.34Å; K217-A221 PolarHBondContact O-N 3.11Å
218L90.8Very high92.5Very high83 Ų8365 Ų6544%0.43537%0.373SS..Hα-helixtrans-66.8-39.9-178.9-171.567.6000112I175 V209 S214 V215 M216 G222I175-L218 HydrophobicContact CD1-CD2 3.44Å; I175-L218 VanDerWaalsContact CD1-CD2 3.44Å; V209-L218 HydrophobicContact CG1-CD2 4.03Å; S214-L218 WeakPolarHBondContact O-CB 3.32Å; S214-L218 PolarHBondContact O-N 3.2Å; V215-L218 PolarHBondContact O-N 2.87Å; M216-L218 PolarHBondContact O-N 3.46Å; L218-G222 PolarHBondContact O-N 2.89Å
219M90.9Very high92.3Very high103 Ų10364.7 Ų64.751%0.50737%0.372SS..Hα-helixtrans-63.9-46.3176.3-75.1-64.4-65.500111.7V215 M216 G222 I223V215-M219 HydrophobicContact CG1-CG 4.24Å; V215-M219 WeakPolarHBondContact O-CB 3.18Å; V215-M219 VanDerWaalsContact O-CG 3.3Å; V215-M219 WeakPolarHBondContact O-CG 3.39Å; V215-M219 PolarHBondContact O-N 3.43Å; M216-M219 PolarHBondContact O-N 2.96Å; M219-G222 PolarHBondContact O-N 3.42Å; M219-I223 WeakPolarHBondContact O-CB 3.5Å; M219-I223 VanDerWaalsContact O-CG1 3.26Å; M219-I223 WeakPolarHBondContact O-CG1 3.48Å; M219-I223 PolarHBondContact O-N 2.79Å
220L92.5Very high91.9Very high126 Ų12670.5 Ų70.566%0.6639%0.394SS*.Hα-helixtrans-62.3-46.5176.8-70.7172.1000111.6M216 K217 G222 I223 L224M216-L220 WeakPolarHBondContact O-CG 3.18Å; M216-L220 PolarHBondContact O-N 3.5Å; K217-L220 PolarHBondContact O-N 2.94Å; L220-G222 PolarHBondContact O-N 2.83Å; L220-I223 PolarHBondContact O-N 2.85Å; L220-L224 PolarHBondContact O-N 2.96Å
221A91.3Very high91.7Very high52 Ų5276.2 Ų76.243%0.4341%0.414SS..Hα-helixtrans-61.6-43176.100000111.8K217 L224 F225K217-A221 WeakPolarHBondContact O-CB 3.34Å; K217-A221 PolarHBondContact O-N 3.11Å; A221-L224 PolarHBondContact O-N 3.04Å; A221-F225 VanDerWaalsContact O-CB 3.26Å; A221-F225 WeakPolarHBondContact O-CB 3.02Å; A221-F225 PolarHBondContact O-N 3.47Å
222G90.4Very high91.4Very high29 Ų2977.8 Ų77.830%0.29942%0.419SS..Hα-helixtrans-64.4-42.4178.100000113L218 M219 L220 F225 L226L218-G222 PolarHBondContact O-N 2.89Å; M219-G222 PolarHBondContact O-N 3.42Å; L220-G222 PolarHBondContact O-N 2.83Å; G222-F225 PolarHBondContact O-N 3.21Å; G222-L226 WeakPolarHBondContact O-CB 3.14Å; G222-L226 VanDerWaalsContact O-CG 3.26Å; G222-L226 WeakPolarHBondContact O-CG 3.49Å; G222-L226 PolarHBondContact O-N 3.01Å
223I91.9Very high91.5Very high88 Ų8880.4 Ų80.445%0.45143%0.427SS..Hα-helixtrans-62.7-48.3175.5-70.3165.2000110.3M219 L220 F225 L226 L227M219-I223 WeakPolarHBondContact O-CB 3.5Å; M219-I223 VanDerWaalsContact O-CG1 3.26Å; M219-I223 WeakPolarHBondContact O-CG1 3.48Å; M219-I223 PolarHBondContact O-N 2.79Å; L220-I223 PolarHBondContact O-N 2.85Å; I223-F225 VanDerWaalsContact C-N 3.31Å; I223-F225 PolarHBondContact O-N 2.79Å; I223-L226 PolarHBondContact O-N 3.27Å; I223-L227 HydrophobicContact CG2-CD1 4.01Å; I223-L227 HydrophobicContact CG2-CG 4.48Å; I223-L227 WeakPolarHBondContact O-CG 3.45Å; I223-L227 PolarHBondContact O-N 2.98Å
224L92.4Very high91.5Very high84 Ų8478.7 Ų78.744%0.4441%0.409SS..Hα-helixtrans-58.5-45.1176.817862000111.2L220 A221 L227 L228 F245L220-L224 PolarHBondContact O-N 2.96Å; A221-L224 PolarHBondContact O-N 3.04Å; L224-L227 PolarHBondContact O-N 3.32Å; L224-L228 HydrophobicContact CD1-CD1 3.99Å; L224-L228 HydrophobicContact CD1-CG 4.29Å; L224-L228 HydrophobicContact CG-CD1 4.08Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 3.14Å; L224-F245 HydrophobicContact CD2-CD1 4.31Å
225F92.3Very high91.6Very high24 Ų2479.6 Ų79.611%0.10541%0.405CS..Hα-helixtrans-59.5-49.4177.1-176.6-86.6000111.6W126 A129 V130 L133 A221 G222 I223 L227 L228 V229 L238W126-F225 HydrophobicContact CD2-CE2 4.4Å; W126-F225 HydrophobicContact CE3-CE2 4.25Å; W126-F225 AromaticContact CH2-CD2 3.4Å; W126-F225 HydrophobicContact CH2-CD2 3.4Å; W126-F225 AromaticContact CH2-CE2 3.51Å; W126-F225 HydrophobicContact CH2-CE2 3.51Å; W126-F225 AromaticContact CZ2-CD2 3.75Å; W126-F225 HydrophobicContact CZ2-CD2 3.75Å; W126-F225 AromaticContact CZ2-CE2 3.64Å; W126-F225 HydrophobicContact CZ2-CE2 3.64Å; W126-F225 AromaticContact CZ3-CD2 4Å; W126-F225 HydrophobicContact CZ3-CD2 4Å; W126-F225 AromaticContact CZ3-CE2 3.81Å; W126-F225 HydrophobicContact CZ3-CE2 3.81Å; A129-F225 HydrophobicContact CB-CZ 4.43Å; V130-F225 HydrophobicContact CB-CZ 4.44Å; V130-F225 HydrophobicContact CG2-CE2 3.71Å; V130-F225 HydrophobicContact CG2-CZ 3.68Å; L133-F225 HydrophobicContact CD1-CD1 4.2Å; L133-F225 HydrophobicContact CD1-CE1 3.49Å; L133-F225 VanDerWaalsContact CD1-CE1 3.49Å; L133-F225 HydrophobicContact CD1-CZ 4.42Å; A221-F225 VanDerWaalsContact O-CB 3.26Å; A221-F225 WeakPolarHBondContact O-CB 3.02Å; A221-F225 PolarHBondContact O-N 3.47Å; G222-F225 PolarHBondContact O-N 3.21Å; I223-F225 VanDerWaalsContact C-N 3.31Å; I223-F225 PolarHBondContact O-N 2.79Å; F225-L227 VanDerWaalsContact C-N 3.32Å; F225-L227 PolarHBondContact O-N 3.41Å; F225-L228 PolarHBondContact O-N 3.08Å; F225-V229 HydrophobicContact CD1-CG2 3.8Å; F225-V229 HydrophobicContact CE1-CB 4.42Å; F225-V229 HydrophobicContact CE1-CG2 3.32Å; F225-V229 HydrophobicContact CE2-CG2 4.16Å; F225-V229 HydrophobicContact CG-CG2 4.36Å; F225-V229 HydrophobicContact CZ-CG2 3.56Å; F225-V229 WeakPolarHBondContact O-CG2 3.46Å; F225-V229 PolarHBondContact O-N 3.14Å; F225-L238 HydrophobicContact CD2-CD1 4.11Å; F225-L238 HydrophobicContact CD2-CD2 4Å; F225-L238 HydrophobicContact CE2-CD1 4.07Å; F225-L238 HydrophobicContact CE2-CD2 4.41Å
226L90.5Very high91.7Very high92 Ų9286.2 Ų86.248%0.48243%0.433SS..Hα-helixtrans-63.2-35.8179.7-73172.6000112.7G222 I223 K230G222-L226 WeakPolarHBondContact O-CB 3.14Å; G222-L226 VanDerWaalsContact O-CG 3.26Å; G222-L226 WeakPolarHBondContact O-CG 3.49Å; G222-L226 PolarHBondContact O-N 3.01Å; I223-L226 PolarHBondContact O-N 3.27Å; L226-K230 WeakPolarHBondContact O-CG 3.37Å
227L92.1Very high91.8Very high97 Ų9783.2 Ų83.251%0.50842%0.419SS..Hα-helixtrans-65-45174.2-72171.2000111.2I223 L224 F225 F231I223-L227 HydrophobicContact CG2-CD1 4.01Å; I223-L227 HydrophobicContact CG2-CG 4.48Å; I223-L227 WeakPolarHBondContact O-CG 3.45Å; I223-L227 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 3.32Å; F225-L227 VanDerWaalsContact C-N 3.32Å; F225-L227 PolarHBondContact O-N 3.41Å; L227-F231 WeakPolarHBondContact O-CD2 3.38Å
228L92.6Very high91.9Very high34 Ų3476.3 Ų76.318%0.17839%0.389CS..Hα-helixtrans-72.7-36.7-177.9-69.8174000113.1L224 F225 K230 F231 G234 R235 L238 F245L224-L228 HydrophobicContact CD1-CD1 3.99Å; L224-L228 HydrophobicContact CD1-CG 4.29Å; L224-L228 HydrophobicContact CG-CD1 4.08Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 3.14Å; F225-L228 PolarHBondContact O-N 3.08Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-F231 PolarHBondContact O-N 3.35Å; L228-G234 CarbonylContact O-C 3.55Å; L228-G234 VanDerWaalsContact O-CA 3.24Å; L228-G234 WeakPolarHBondContact O-CA 3.35Å; L228-R235 PolarHBondContact O-N 3.3Å; L228-L238 HydrophobicContact CB-CD1 3.72Å; L228-L238 HydrophobicContact CB-CD2 4.22Å; L228-L238 HydrophobicContact CB-CG 3.94Å; L228-L238 HydrophobicContact CD1-CD2 3.8Å; L228-L238 HydrophobicContact CD1-CG 4.19Å; L228-F245 HydrophobicContact CD1-CD1 3.74Å; L228-F245 HydrophobicContact CD1-CE1 3.47Å; L228-F245 VanDerWaalsContact CD1-CE1 3.47Å; L228-F245 HydrophobicContact CD1-CZ 4.26Å
229V91.3Very high92Very high8 Ų874 Ų745%0.04838%0.377CS..Hα-helixtrans-63.4-29.1-178.9166.50000112.9V130 L133 F225 F231 R235 L238V130-V229 HydrophobicContact CG1-CG2 4.31Å; V130-V229 HydrophobicContact CG2-CG2 4.44Å; L133-V229 HydrophobicContact CB-CG1 4.19Å; F225-V229 HydrophobicContact CD1-CG2 3.8Å; F225-V229 HydrophobicContact CE1-CB 4.42Å; F225-V229 HydrophobicContact CE1-CG2 3.32Å; F225-V229 HydrophobicContact CE2-CG2 4.16Å; F225-V229 HydrophobicContact CG-CG2 4.36Å; F225-V229 HydrophobicContact CZ-CG2 3.56Å; F225-V229 WeakPolarHBondContact O-CG2 3.46Å; F225-V229 PolarHBondContact O-N 3.14Å; V229-F231 VanDerWaalsContact C-N 3.27Å; V229-F231 PolarHBondContact O-N 2.79Å; V229-R235 WeakPolarHBondContact O-CD 3.41Å; V229-R235 WeakPolarHBondContact O-CG 3.3Å; V229-R235 PolarHBondContact O-NH1 3.36Å; V229-L238 HydrophobicContact CB-CD1 4.48Å; V229-L238 HydrophobicContact CG2-CD1 3.44Å; V229-L238 VanDerWaalsContact CG2-CD1 3.44Å
230K87.8Confident92.2Very high155 Ų15575.1 Ų75.167%0.67438%0.379SS*.Hα-helixtrans-62-33.3-179.7-74.4-179.6178.5-174.40113L226 L228 R235L226-K230 WeakPolarHBondContact O-CG 3.37Å; L228-K230 PolarHBondContact O-N 3.45Å; K230-R235 PolarHBondContact O-NH1 2.9Å
231F89.7Confident92.3Very high136 Ų13674.3 Ų74.360%0.59637%0.368SS*.SBendtrans-105142.8-175.1-53.7-79.9000111.8L227 L228 V229 F233 G234 R235L227-F231 WeakPolarHBondContact O-CD2 3.38Å; L228-F231 PolarHBondContact O-N 3.35Å; V229-F231 VanDerWaalsContact C-N 3.27Å; V229-F231 PolarHBondContact O-N 2.79Å; F231-F233 VanDerWaalsContact C-N 3.28Å; F231-F233 PolarHBondContact O-N 2.65Å; F231-G234 PolarHBondContact O-N 3.27Å; F231-G234 VanDerWaalsContact O-N 3.14Å; F231-R235 PolarHBondContact O-N 3.25Å
232S89.6Confident92.4Very high75 Ų7572 Ų7252%0.52435%0.349SS..Hα-helixtrans-59.2-38.7179.557.90000112.5K236S232-K236 WeakPolarHBondContact O-CG 3.37Å; S232-K236 PolarHBondContact O-N 3.08Å; S232-K236 VanDerWaalsContact O-N 3.08Å
233F94.1Very high92.6Very high150 Ų15075.3 Ų75.366%0.65836%0.356SS*.Hα-helixtrans-64-45.4174.2179.4-102.6000112.3F231 R235 K236 L237F231-F233 VanDerWaalsContact C-N 3.28Å; F231-F233 PolarHBondContact O-N 2.65Å; F233-R235 PolarHBondContact O-N 2.82Å; F233-K236 WeakPolarHBondContact O-CB 3.28Å; F233-K236 PolarHBondContact O-N 2.82Å; F233-L237 PolarHBondContact O-N 2.7Å
234G93.6Very high92.6Very high2 Ų278.8 Ų78.82%0.02137%0.368CS..Hα-helixtrans-62.9-41177.300000112.3L228 F231 K236 L237 L238L228-G234 CarbonylContact O-C 3.55Å; L228-G234 VanDerWaalsContact O-CA 3.24Å; L228-G234 WeakPolarHBondContact O-CA 3.35Å; F231-G234 PolarHBondContact O-N 3.27Å; F231-G234 VanDerWaalsContact O-N 3.14Å; G234-K236 PolarHBondContact O-N 2.85Å; G234-L237 WeakPolarHBondContact O-CB 3.37Å; G234-L237 PolarHBondContact O-N 3.09Å; G234-L237 VanDerWaalsContact O-N 3.15Å; G234-L238 WeakPolarHBondContact O-CG 3.33Å; G234-L238 PolarHBondContact O-N 2.94Å
235R93.5Very high92.7Very high65 Ų6576.6 Ų76.625%0.24536%0.355CS..Hα-helixtrans-58.8-45.4171.8-68.2-167.7-63.7-86.27.8112.5V130 L228 V229 K230 F231 F233 L237 L238 I239V130-R235 HydrophobicContact CG1-CB 4.01Å; V130-R235 HydrophobicContact CG1-CG 3.84Å; L228-R235 PolarHBondContact O-N 3.3Å; V229-R235 WeakPolarHBondContact O-CD 3.41Å; V229-R235 WeakPolarHBondContact O-CG 3.3Å; V229-R235 PolarHBondContact O-NH1 3.36Å; K230-R235 PolarHBondContact O-NH1 2.9Å; F231-R235 PolarHBondContact O-N 3.25Å; F233-R235 PolarHBondContact O-N 2.82Å; R235-L237 VanDerWaalsContact C-N 3.25Å; R235-L237 PolarHBondContact O-N 3.31Å; R235-L238 PolarHBondContact O-N 3.08Å; R235-I239 WeakPolarHBondContact O-CB 3.48Å; R235-I239 WeakPolarHBondContact O-CD1 3.49Å; R235-I239 VanDerWaalsContact O-CG1 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.38Å; R235-I239 PolarHBondContact O-N 2.84Å
236K94.1Very high92.6Very high149 Ų14976.3 Ų76.365%0.64836%0.356SS*.Hα-helixtrans-59-39.8175.6-73177.2-177.8-177.20111.4S232 F233 G234 K240S232-K236 WeakPolarHBondContact O-CG 3.37Å; S232-K236 PolarHBondContact O-N 3.08Å; S232-K236 VanDerWaalsContact O-N 3.08Å; F233-K236 WeakPolarHBondContact O-CB 3.28Å; F233-K236 PolarHBondContact O-N 2.82Å; G234-K236 PolarHBondContact O-N 2.85Å; K236-K240 WeakPolarHBondContact O-CB 3.48Å; K236-K240 PolarHBondContact O-N 2.88Å
237L95.3Very high92.6Very high49 Ų4976.7 Ų76.726%0.25737%0.373SS..Hα-helixtrans-67.9-47.6179.9-165.869.5000112F233 G234 R235 I239 K240 Y241 F245F233-L237 PolarHBondContact O-N 2.7Å; G234-L237 WeakPolarHBondContact O-CB 3.37Å; G234-L237 PolarHBondContact O-N 3.09Å; G234-L237 VanDerWaalsContact O-N 3.15Å; R235-L237 VanDerWaalsContact C-N 3.25Å; R235-L237 PolarHBondContact O-N 3.31Å; L237-I239 VanDerWaalsContact C-N 3.29Å; L237-I239 PolarHBondContact O-N 2.69Å; L237-K240 PolarHBondContact O-N 2.95Å; L237-Y241 HydrophobicContact CD1-CD2 3.64Å; L237-Y241 HydrophobicContact CD1-CE2 3.73Å; L237-Y241 HydrophobicContact CG-CD2 4.35Å; L237-Y241 PolarHBondContact O-N 3.35Å; L237-F245 HydrophobicContact CB-CE2 4.47Å; L237-F245 HydrophobicContact CD1-CE2 4.37Å; L237-F245 HydrophobicContact CD2-CE1 4.31Å; L237-F245 HydrophobicContact CD2-CE2 3.86Å; L237-F245 HydrophobicContact CD2-CZ 3.37Å; L237-F245 HydrophobicContact CG-CE2 3.53Å; L237-F245 HydrophobicContact CG-CZ 3.63Å
238L94Very high92.4Very high1 Ų173.9 Ų73.91%0.00537%0.367CS..Hα-helixtrans-56.6-42.8175.1-69.4170.2000111.5W126 V130 F225 L228 V229 G234 R235 F245W126-L238 HydrophobicContact CZ2-CB 4.44Å; W126-L238 HydrophobicContact CZ2-CD2 3.82Å; W126-L238 PolarHBondContact NE1-O 3.24Å; V130-L238 HydrophobicContact CG2-CB 4.06Å; V130-L238 HydrophobicContact CG2-CD1 4.12Å; F225-L238 HydrophobicContact CD2-CD1 4.11Å; F225-L238 HydrophobicContact CD2-CD2 4Å; F225-L238 HydrophobicContact CE2-CD1 4.07Å; F225-L238 HydrophobicContact CE2-CD2 4.41Å; L228-L238 HydrophobicContact CB-CD1 3.72Å; L228-L238 HydrophobicContact CB-CD2 4.22Å; L228-L238 HydrophobicContact CB-CG 3.94Å; L228-L238 HydrophobicContact CD1-CD2 3.8Å; L228-L238 HydrophobicContact CD1-CG 4.19Å; V229-L238 HydrophobicContact CB-CD1 4.48Å; V229-L238 HydrophobicContact CG2-CD1 3.44Å; V229-L238 VanDerWaalsContact CG2-CD1 3.44Å; G234-L238 WeakPolarHBondContact O-CG 3.33Å; G234-L238 PolarHBondContact O-N 2.94Å; R235-L238 PolarHBondContact O-N 3.08Å; L238-F245 HydrophobicContact CD2-CB 3.8Å; L238-F245 HydrophobicContact CD2-CD1 3.97Å; L238-F245 HydrophobicContact CD2-CD2 4.33Å; L238-F245 HydrophobicContact CD2-CG 3.75Å
239I93.1Very high92.3Very high34 Ų3476.5 Ų76.517%0.17438%0.375CS..Hα-helixtrans-73.6-36.5-179.3-67.5167.6000111.8K127 V130 Y131 R235 L237K127-I239 HydrophobicContact CG-CG1 4.3Å; K127-I239 HydrophobicContact CG-CG2 4.2Å; V130-I239 HydrophobicContact CG1-CD1 4.16Å; V130-I239 HydrophobicContact CG1-CG1 4.27Å; Y131-I239 HydrophobicContact CE1-CD1 4.32Å; Y131-I239 HydrophobicContact CE2-CD1 3.79Å; Y131-I239 WeakPolarHBondContact OH-CD1 3.46Å; R235-I239 WeakPolarHBondContact O-CB 3.48Å; R235-I239 WeakPolarHBondContact O-CD1 3.49Å; R235-I239 VanDerWaalsContact O-CG1 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.38Å; R235-I239 PolarHBondContact O-N 2.84Å; L237-I239 VanDerWaalsContact C-N 3.29Å; L237-I239 PolarHBondContact O-N 2.69Å
240K94.5Very high92.4Very high128 Ų12877.8 Ų77.856%0.55738%0.38SS*.Hα-helixtrans-72.9-35.9-177.8-171.6174.4179-166.50112.2K236 L237 P242K236-K240 WeakPolarHBondContact O-CB 3.48Å; K236-K240 PolarHBondContact O-N 2.88Å; L237-K240 PolarHBondContact O-N 2.95Å; K240-P242 VanDerWaalsContact C-CD 3.43Å; K240-P242 WeakPolarHBondContact O-CD 3.46Å
241Y94.4Very high92.7Very high109 Ų10970.9 Ų70.943%0.42735%0.351SS..  trans-125.657.9-174.2-53.7-75.9000113.1L237 E243 F244 F245L237-Y241 HydrophobicContact CD1-CD2 3.64Å; L237-Y241 HydrophobicContact CD1-CE2 3.73Å; L237-Y241 HydrophobicContact CG-CD2 4.35Å; L237-Y241 PolarHBondContact O-N 3.35Å; Y241-E243 VanDerWaalsContact C-N 3.31Å; Y241-E243 PolarHBondContact O-N 2.96Å; Y241-F244 PolarHBondContact O-N 3.28Å; Y241-F245 WeakPolarHBondContact O-CD2 3.43Å; Y241-F245 PolarHBondContact O-N 2.87Å
242P93.9Very high92.8Very high4 Ų470 Ų703%0.02635%0.347CS..Hα-helixtrans-60.2-39.7-174.525.4-34.4000112.5D123 W126 K240 F244 F245 S246 F250D123-P242 HydrophobicContact CB-CB 4.38Å; D123-P242 HydrophobicContact CB-CG 4.09Å; W126-P242 HydrophobicContact CG-CB 4.26Å; K240-P242 VanDerWaalsContact C-CD 3.43Å; K240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-F244 VanDerWaalsContact C-N 3.32Å; P242-F244 PolarHBondContact O-N 3.08Å; P242-F245 PolarHBondContact O-N 2.94Å; P242-S246 WeakPolarHBondContact O-CB 3.16Å; P242-S246 PolarHBondContact O-N 3.37Å; P242-S246 PolarHBondContact O-OG 2.81Å; P242-F250 CarbonylContact C-O 3.47Å; P242-F250 HydrophobicContact CB-CB 4.38Å
243E93.3Very high92.9Very high98 Ų9875.8 Ų75.846%0.45836%0.363SS..Hα-helixtrans-62.7-39.2-178.9-67.8169.3-14400111.9Y241 A247 G248 F250Y241-E243 VanDerWaalsContact C-N 3.31Å; Y241-E243 PolarHBondContact O-N 2.96Å; E243-A247 CarbonylContact O-C 3.59Å; E243-A247 WeakPolarHBondContact O-CA 3.26Å; E243-A247 PolarHBondContact O-N 2.84Å; E243-A247 VanDerWaalsContact O-N 3.09Å; E243-G248 PolarHBondContact O-N 2.83Å; E243-F250 WeakPolarHBondContact CA-O 3.42Å; E243-F250 VanDerWaalsContact CG-O 3.31Å; E243-F250 WeakPolarHBondContact CG-O 3.26Å; E243-F250 PolarHBondContact N-O 3.35Å
244F93.6Very high92.8Very high160 Ų16069.1 Ų69.170%0.70234%0.336SS*.Hα-helixtrans-68.1-50.6177.3179.3-97000111.5Y241 P242 S246 A247Y241-F244 PolarHBondContact O-N 3.28Å; P242-F244 VanDerWaalsContact C-N 3.32Å; P242-F244 PolarHBondContact O-N 3.08Å; F244-S246 PolarHBondContact O-N 2.81Å; F244-A247 PolarHBondContact O-N 3.33Å
245F92.7Very high92.9Very high39 Ų3970 Ų7017%0.17134%0.342CS..Hα-helixtrans-75.2-11.3-176.5-73.9-74.7000114.4W126 L224 L228 L237 L238 Y241 P242W126-F245 HydrophobicContact CH2-CB 4.48Å; W126-F245 HydrophobicContact CZ2-CB 3.93Å; L224-F245 HydrophobicContact CD2-CD1 4.31Å; L228-F245 HydrophobicContact CD1-CD1 3.74Å; L228-F245 HydrophobicContact CD1-CE1 3.47Å; L228-F245 VanDerWaalsContact CD1-CE1 3.47Å; L228-F245 HydrophobicContact CD1-CZ 4.26Å; L237-F245 HydrophobicContact CB-CE2 4.47Å; L237-F245 HydrophobicContact CD1-CE2 4.37Å; L237-F245 HydrophobicContact CD2-CE1 4.31Å; L237-F245 HydrophobicContact CD2-CE2 3.86Å; L237-F245 HydrophobicContact CD2-CZ 3.37Å; L237-F245 HydrophobicContact CG-CE2 3.53Å; L237-F245 HydrophobicContact CG-CZ 3.63Å; L238-F245 HydrophobicContact CD2-CB 3.8Å; L238-F245 HydrophobicContact CD2-CD1 3.97Å; L238-F245 HydrophobicContact CD2-CD2 4.33Å; L238-F245 HydrophobicContact CD2-CG 3.75Å; Y241-F245 WeakPolarHBondContact O-CD2 3.43Å; Y241-F245 PolarHBondContact O-N 2.87Å; P242-F245 PolarHBondContact O-N 2.94Å
246S91Very high93Very high18 Ų1870.2 Ų70.213%0.12635%0.35CS..THydrogen-bonded Turntrans-114.15.2177.670.10000114.2P242 F244 G248 R249 F250P242-S246 WeakPolarHBondContact O-CB 3.16Å; P242-S246 PolarHBondContact O-N 3.37Å; P242-S246 PolarHBondContact O-OG 2.81Å; F244-S246 PolarHBondContact O-N 2.81Å; S246-G248 PolarHBondContact O-N 3.04Å; S246-R249 VanDerWaalsContact O-CB 3.26Å; S246-R249 WeakPolarHBondContact O-CB 3.33Å; S246-R249 PolarHBondContact O-N 3.49Å; S246-R249 VanDerWaalsContact O-N 3.1Å; S246-R249 PolarHBondContact OG-N 2.71Å; S246-F250 PolarHBondContact OG-N 3.47Å; S246-F250 PolarHBondContact OG-O 3.34Å
247A89.9Confident93.1Very high100 Ų10068.6 Ų68.683%0.82635%0.345SS*.THydrogen-bonded Turntrans50.644.6-173.800000112.7E243 F244 R249E243-A247 CarbonylContact O-C 3.59Å; E243-A247 WeakPolarHBondContact O-CA 3.26Å; E243-A247 PolarHBondContact O-N 2.84Å; E243-A247 VanDerWaalsContact O-N 3.09Å; F244-A247 PolarHBondContact O-N 3.33Å; A247-R249 VanDerWaalsContact C-N 3.29Å; A247-R249 PolarHBondContact O-N 2.9Å
248G89.1Confident93.2Very high38 Ų3870.8 Ų70.839%0.39235%0.352SS..THydrogen-bonded Turntrans80.5-3.5179.200000115.6C120 E243 S246 F250C120-G248 PolarHBondContact SG-O 3.27Å; E243-G248 PolarHBondContact O-N 2.83Å; S246-G248 PolarHBondContact O-N 3.04Å; G248-F250 VanDerWaalsContact C-N 3.28Å; G248-F250 PolarHBondContact O-N 3.14Å
249R90.1Very high93.3Very high89 Ų8972.1 Ų72.134%0.33636%0.359SS..SBendtrans-65.3-32.3179-169.368.3177112.5-4.5112.5S119 C120 I121 S246 A247S119-R249 WeakPolarHBondContact O-CD 3.32Å; S119-R249 PolarHBondContact O-NH1 3.3Å; S119-R249 PolarHBondContact OG-NH1 3.07Å; S119-R249 PolarHBondContact OG-NH2 3.37Å; C120-R249 CarbonylContact C-O 3.51Å; C120-R249 WeakPolarHBondContact CA-O 3.42Å; I121-R249 PolarHBondContact N-O 3Å; S246-R249 VanDerWaalsContact O-CB 3.26Å; S246-R249 WeakPolarHBondContact O-CB 3.33Å; S246-R249 PolarHBondContact O-N 3.49Å; S246-R249 VanDerWaalsContact O-N 3.1Å; S246-R249 PolarHBondContact OG-N 2.71Å; A247-R249 VanDerWaalsContact C-N 3.29Å; A247-R249 PolarHBondContact O-N 2.9Å
250F93.3Very high93.5Very high34 Ų3471.8 Ų71.815%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-118.7127.6173.9-63.9-87.6000111.1I121 T125 W126 P242 E243 S246 G248I121-F250 HydrophobicContact CB-CD1 3.74Å; I121-F250 HydrophobicContact CB-CE1 3.73Å; I121-F250 HydrophobicContact CD1-CE1 4.07Å; I121-F250 HydrophobicContact CD1-CZ 4.34Å; I121-F250 HydrophobicContact CG1-CE1 4.46Å; I121-F250 HydrophobicContact CG2-CD1 3.97Å; I121-F250 HydrophobicContact CG2-CE1 3.79Å; I121-F250 CarbonylContact O-C 3.57Å; I121-F250 WeakPolarHBondContact O-CA 3.26Å; T125-F250 HydrophobicContact CG2-CE1 4.07Å; W126-F250 HydrophobicContact CB-CB 3.99Å; W126-F250 HydrophobicContact CB-CD1 3.77Å; W126-F250 HydrophobicContact CB-CE1 4.38Å; W126-F250 HydrophobicContact CB-CG 3.84Å; W126-F250 HydrophobicContact CD2-CB 4.43Å; W126-F250 HydrophobicContact CD2-CD2 4.1Å; W126-F250 HydrophobicContact CD2-CG 4.22Å; W126-F250 HydrophobicContact CE3-CB 4.4Å; W126-F250 HydrophobicContact CE3-CD1 4.42Å; W126-F250 AromaticContact CE3-CD2 3.27Å; W126-F250 HydrophobicContact CE3-CD2 3.27Å; W126-F250 AromaticContact CE3-CE2 3.49Å; W126-F250 HydrophobicContact CE3-CE2 3.49Å; W126-F250 VanDerWaalsContact CE3-CE2 3.49Å; W126-F250 AromaticContact CE3-CG 3.79Å; W126-F250 HydrophobicContact CE3-CG 3.79Å; W126-F250 HydrophobicContact CE3-CZ 4.14Å; W126-F250 HydrophobicContact CG-CB 4.31Å; W126-F250 HydrophobicContact CG-CG 4.31Å; W126-F250 AromaticContact CZ3-CD2 3.7Å; W126-F250 HydrophobicContact CZ3-CD2 3.7Å; W126-F250 AromaticContact CZ3-CE2 3.79Å; W126-F250 HydrophobicContact CZ3-CE2 3.79Å; P242-F250 CarbonylContact C-O 3.47Å; P242-F250 HydrophobicContact CB-CB 4.38Å; E243-F250 WeakPolarHBondContact CA-O 3.42Å; E243-F250 VanDerWaalsContact CG-O 3.31Å; E243-F250 WeakPolarHBondContact CG-O 3.26Å; E243-F250 PolarHBondContact N-O 3.35Å; S246-F250 PolarHBondContact OG-N 3.47Å; S246-F250 PolarHBondContact OG-O 3.34Å; G248-F250 VanDerWaalsContact C-N 3.28Å; G248-F250 PolarHBondContact O-N 3.14Å
251S93.5Very high93.6Very high11 Ų1170.8 Ų70.88%0.07736%0.358CS..EExtended strand (participates in β ladder)trans-135.5159.4-179.3850000112.4C120 I121 H122 D123 K253 G254C120-S251 PolarHBondContact SG-OG 2.98Å; C120-S251 VanDerWaalsContact SG-OG 3.33Å; I121-S251 PolarHBondContact O-N 3.29Å; H122-S251 CarbonylContact C-O 3.56Å; H122-S251 VanDerWaalsContact CA-O 3.28Å; H122-S251 WeakPolarHBondContact CA-O 3.45Å; D123-S251 PolarHBondContact N-O 3.45Å; S251-K253 PolarHBondContact O-N 3.47Å; S251-K253 PolarHBondContact OG-N 2.94Å; S251-G254 PolarHBondContact OG-N 3.14Å; S251-G254 PolarHBondContact OG-O 3.18Å
252K91.8Very high93.7Very high118 Ų11869.1 Ų69.151%0.51335%0.354SS..SBendtrans-74-18.2173.1-67.9-178.8-178.6176.20113.1H122 D123H122-K252 PolarHBondContact CD2-O 3.32Å; H122-K252 VanDerWaalsContact CD2-O 3.31Å; H122-K252 PolarHBondContact NE2-O 2.82Å; H122-K252 VanDerWaalsContact NE2-O 3.13Å; D123-K252 HydrophobicContact CB-CG 4.32Å
253K92.1Very high93.9Very high196 Ų19669.2 Ų69.285%0.85235%0.354SS*.SBendtrans-87.1-22.4179.4-64-177.5-178.6178.20111.9S251S251-K253 PolarHBondContact O-N 3.47Å; S251-K253 PolarHBondContact OG-N 2.94Å
254G92.9Very high94.2Very high10 Ų1066.6 Ų66.610%0.10335%0.347CS..  trans75.2-170.5-167.100000112S251S251-G254 PolarHBondContact OG-N 3.14Å; S251-G254 PolarHBondContact OG-O 3.18Å
255P95.1Very high94.4Very high21 Ų2159 Ų5914%0.13631%0.313CS..  trans-73.3154.617830.7-34.4000113.1C120 Q259 M260 Y300C120-P255 HydrophobicContact CB-CB 4.04Å; P255-Q259 HydrophobicContact CB-CB 4.16Å; P255-M260 HydrophobicContact CB-CG 3.91Å; P255-M260 HydrophobicContact CG-CG 3.69Å; P255-M260 HydrophobicContact CG-SD 3.93Å; P255-Y300 HydrophobicContact CG-CD2 3.37Å; P255-Y300 HydrophobicContact CG-CE2 3.48Å; P255-Y300 VanDerWaalsContact CG-CE2 3.48Å; P255-Y300 HydrophobicContact CG-CG 4.03Å
256T95.6Very high94.7Very high68 Ų6858.1 Ų58.142%0.41731%0.311SS..  trans-74.8161.3167.369.20000110.6K258 Q259 M260T256-K258 VanDerWaalsContact C-N 3.26Å; T256-K258 PolarHBondContact O-N 2.84Å; T256-Q259 PolarHBondContact O-N 3.48Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.49Å; T256-Q259 PolarHBondContact OG1-N 3.01Å; T256-Q259 VanDerWaalsContact OG1-N 3.13Å; T256-M260 WeakPolarHBondContact O-CG 3.35Å; T256-M260 PolarHBondContact O-N 2.61Å
257Q96.3Very high95Very high115 Ų11557.5 Ų57.554%0.53731%0.306SS..Hα-helixtrans-56-42.9174.2-171.460.450.600111.7Q259 M260 D261Q257-Q259 PolarHBondContact O-N 3.45Å; Q257-M260 HydrophobicContact CB-CE 4.49Å; Q257-M260 WeakPolarHBondContact O-CB 3.48Å; Q257-M260 PolarHBondContact O-N 2.78Å; Q257-M260 VanDerWaalsContact O-N 3.11Å; Q257-D261 PolarHBondContact NE2-OD1 2.82Å; Q257-D261 PolarHBondContact O-N 3.5Å
258K96.7Very high95.4Very high95 Ų9553 Ų5341%0.41327%0.269SS..Hα-helixtrans-62.6-43.3177.9-175.7173.5170.7-165.30112.9E117 T256 M260 D261 E262E117-K258 VanDerWaalsContact OE1-CD 3.29Å; E117-K258 WeakPolarHBondContact OE1-CD 3.49Å; E117-K258 VanDerWaalsContact OE1-CE 3.27Å; E117-K258 WeakPolarHBondContact OE1-CE 3.48Å; E117-K258 IonicContact OE1-NZ 2.68Å; E117-K258 PolarHBondContact OE1-NZ 3.34Å; T256-K258 VanDerWaalsContact C-N 3.26Å; T256-K258 PolarHBondContact O-N 2.84Å; K258-M260 PolarHBondContact O-N 3.16Å; K258-D261 PolarHBondContact O-N 3.01Å; K258-E262 WeakPolarHBondContact CE-OE1 3.3Å; K258-E262 HydrophobicContact CG-CG 4.28Å; K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.17Å; K258-E262 PolarHBondContact O-N 2.87Å
259Q96.5Very high95.9Very high30 Ų3051.2 Ų51.214%0.1425%0.25CS..Hα-helixtrans-60.6-35.9174.2-75.2176.3-37.100111.8E117 P255 T256 Q257 T263E117-Q259 HydrophobicContact CB-CG 4Å; E117-Q259 PolarHBondContact O-NE2 3.5Å; P255-Q259 HydrophobicContact CB-CB 4.16Å; T256-Q259 PolarHBondContact O-N 3.48Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.49Å; T256-Q259 PolarHBondContact OG1-N 3.01Å; T256-Q259 VanDerWaalsContact OG1-N 3.13Å; Q257-Q259 PolarHBondContact O-N 3.45Å; Q259-T263 WeakPolarHBondContact O-CB 3.31Å; Q259-T263 PolarHBondContact O-N 3.3Å; Q259-T263 PolarHBondContact O-OG1 3.03Å
260M96.9Very high96.3Very high27 Ų2749.8 Ų49.813%0.13325%0.246CC..Hα-helixtrans-70-46.8174.9-65.1-173-68.600111.9P255 T256 Q257 K258 E262 T263 E297 Y300 I301P255-M260 HydrophobicContact CB-CG 3.91Å; P255-M260 HydrophobicContact CG-CG 3.69Å; P255-M260 HydrophobicContact CG-SD 3.93Å; T256-M260 WeakPolarHBondContact O-CG 3.35Å; T256-M260 PolarHBondContact O-N 2.61Å; Q257-M260 HydrophobicContact CB-CE 4.49Å; Q257-M260 WeakPolarHBondContact O-CB 3.48Å; Q257-M260 PolarHBondContact O-N 2.78Å; Q257-M260 VanDerWaalsContact O-N 3.11Å; K258-M260 PolarHBondContact O-N 3.16Å; M260-E262 VanDerWaalsContact C-N 3.29Å; M260-E262 PolarHBondContact O-N 2.84Å; M260-T263 PolarHBondContact O-N 3.43Å; M260-E297 HydrophobicContact CB-CB 4.41Å; M260-E297 HydrophobicContact CB-CG 4.44Å; M260-E297 HydrophobicContact CG-CG 4.41Å; M260-E297 WeakPolarHBondContact O-CB 3.02Å; M260-Y300 WeakPolarHBondContact SD-CB 3.48Å; M260-Y300 HydrophobicContact SD-CD2 4.42Å; M260-Y300 HydrophobicContact SD-CG 4Å; M260-I301 HydrophobicContact CB-CD1 4.1Å
261D96.8Very high96.5Very high107 Ų10748.2 Ų48.257%0.57224%0.24SC*.Hα-helixtrans-64.9-33.4-178.5-63.5-20.5000112.5Q257 K258Q257-D261 PolarHBondContact NE2-OD1 2.82Å; Q257-D261 PolarHBondContact O-N 3.5Å; K258-D261 PolarHBondContact O-N 3.01Å
262E97.3Very high96.6Very high74 Ų7451.3 Ų51.335%0.34625%0.253SS..THydrogen-bonded Turntrans-91.82.8180-63.7-179.8171.500113.6S114 G115 P116 K258 M260S114-E262 CarbonylContact C-O 3.56Å; S114-E262 WeakPolarHBondContact CA-O 3.49Å; G115-E262 WeakPolarHBondContact CA-OE2 3.42Å; G115-E262 PolarHBondContact N-O 2.91Å; G115-E262 VanDerWaalsContact N-O 3.09Å; P116-E262 WeakPolarHBondContact CD-OE2 3.41Å; K258-E262 WeakPolarHBondContact CE-OE1 3.3Å; K258-E262 HydrophobicContact CG-CG 4.28Å; K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.17Å; K258-E262 PolarHBondContact O-N 2.87Å; M260-E262 VanDerWaalsContact C-N 3.29Å; M260-E262 PolarHBondContact O-N 2.84Å
263T98.1Very high96.8Very high5 Ų545.7 Ų45.73%0.03123%0.229CC..  trans-108.4137.3178.2-630000111.8V112 K113 S114 Q259 M260 P296 E297V112-T263 HydrophobicContact CG1-CG2 3.83Å; K113-T263 CarbonylContact O-C 3.55Å; K113-T263 VanDerWaalsContact O-CA 3.23Å; K113-T263 WeakPolarHBondContact O-CA 3.32Å; S114-T263 PolarHBondContact OG-OG1 3.03Å; Q259-T263 WeakPolarHBondContact O-CB 3.31Å; Q259-T263 PolarHBondContact O-N 3.3Å; Q259-T263 PolarHBondContact O-OG1 3.03Å; M260-T263 PolarHBondContact O-N 3.43Å; T263-P296 CarbonylContact O-C 3.43Å; T263-E297 HydrophobicContact CG2-CB 4.25Å; T263-E297 HydrophobicContact CG2-CG 3.74Å; T263-E297 WeakPolarHBondContact O-CA 3.46Å; T263-E297 PolarHBondContact O-N 3.22Å
264S98.2Very high97Very high44 Ų4436.4 Ų36.431%0.30819%0.188SC..EExtended strand (participates in β ladder)trans-142.4162.1174.256.10000110.6K113 G295K113-S264 PolarHBondContact N-O 2.82Å; K113-S264 PolarHBondContact O-N 3.26Å; S264-G295 WeakPolarHBondContact CA-O 3.2Å; S264-G295 VanDerWaalsContact CB-O 3.31Å; S264-G295 WeakPolarHBondContact CB-O 3.16Å
265F98.3Very high97.1Very high1 Ų137.1 Ų37.10%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-117.9157.4168.676.3-91.9000112.2F83 P87 L110 T111 V293 G295 P296 P298 A302 M348F83-F265 AromaticContact CD2-CD1 3.87Å; F83-F265 HydrophobicContact CD2-CD1 3.87Å; F83-F265 AromaticContact CD2-CE1 3.77Å; F83-F265 HydrophobicContact CD2-CE1 3.77Å; F83-F265 HydrophobicContact CD2-CE2 4.47Å; F83-F265 HydrophobicContact CD2-CG 4.29Å; F83-F265 HydrophobicContact CD2-CZ 4.09Å; F83-F265 HydrophobicContact CE2-CB 4.07Å; F83-F265 AromaticContact CE2-CD1 3.46Å; F83-F265 HydrophobicContact CE2-CD1 3.46Å; F83-F265 VanDerWaalsContact CE2-CD1 3.46Å; F83-F265 AromaticContact CE2-CD2 3.61Å; F83-F265 HydrophobicContact CE2-CD2 3.61Å; F83-F265 AromaticContact CE2-CE1 3.71Å; F83-F265 HydrophobicContact CE2-CE1 3.71Å; F83-F265 AromaticContact CE2-CE2 3.83Å; F83-F265 HydrophobicContact CE2-CE2 3.83Å; F83-F265 AromaticContact CE2-CG 3.43Å; F83-F265 HydrophobicContact CE2-CG 3.43Å; F83-F265 VanDerWaalsContact CE2-CG 3.43Å; F83-F265 AromaticContact CE2-CZ 3.89Å; F83-F265 HydrophobicContact CE2-CZ 3.89Å; F83-F265 HydrophobicContact CZ-CB 4.33Å; F83-F265 HydrophobicContact CZ-CD1 4.45Å; F83-F265 HydrophobicContact CZ-CD2 4.37Å; F83-F265 HydrophobicContact CZ-CG 4.15Å; P87-F265 HydrophobicContact CB-CE2 4.24Å; P87-F265 HydrophobicContact CB-CZ 4.45Å; P87-F265 HydrophobicContact CG-CE2 4.38Å; P87-F265 HydrophobicContact CG-CZ 4.15Å; L110-F265 HydrophobicContact CD1-CB 4.03Å; L110-F265 HydrophobicContact CD1-CD2 4.47Å; T111-F265 CarbonylContact O-C 3.53Å; T111-F265 WeakPolarHBondContact O-CA 3.47Å; F265-V293 HydrophobicContact CE2-CG1 3.98Å; F265-V293 HydrophobicContact CZ-CG1 4.27Å; F265-G295 VanDerWaalsContact CE1-CA 3.48Å; F265-G295 PolarHBondContact N-O 3.36Å; F265-G295 PolarHBondContact O-N 2.99Å; F265-G295 VanDerWaalsContact O-N 3.14Å; F265-P296 WeakPolarHBondContact CD1-O 3.31Å; F265-P298 HydrophobicContact CB-CG 3.96Å; F265-P298 HydrophobicContact CD1-CG 4.1Å; F265-P298 HydrophobicContact CG-CG 4.41Å; F265-A302 HydrophobicContact CD1-CB 4.45Å; F265-A302 HydrophobicContact CE1-CB 3.75Å; F265-M348 HydrophobicContact CZ-CG 4.31Å; F265-M348 HydrophobicContact CZ-SD 4.37Å
266T98.4Very high96.9Very high20 Ų2044.2 Ų44.212%0.12322%0.223CC..EExtended strand (participates in β ladder)trans-137.4125.9166.1-61.40000107.4T111 Q292 V293 K294T111-T266 PolarHBondContact N-O 2.81Å; T111-T266 PolarHBondContact O-N 3.14Å; T266-Q292 HydrophobicContact CG2-CG 3.57Å; T266-V293 WeakPolarHBondContact CA-O 3.34Å; T266-K294 HydrophobicContact CG2-CG 3.99Å
267M98.6Very high96.5Very high4 Ų445.1 Ų45.12%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-115.3117.6170.8-162.7151.779.300109.9P87 A88 F109 L110 F269 Q292 V293P87-M267 VanDerWaalsContact C-CE 3.42Å; P87-M267 HydrophobicContact CB-CE 3.96Å; A88-M267 HydrophobicContact CB-CE 3.58Å; F109-M267 WeakPolarHBondContact O-CA 3.31Å; L110-M267 HydrophobicContact CB-SD 4.35Å; M267-F269 HydrophobicContact CB-CE2 4.05Å; M267-F269 HydrophobicContact CB-CZ 4.46Å; M267-F269 HydrophobicContact CE-CE1 3.9Å; M267-F269 HydrophobicContact CE-CE2 3.92Å; M267-F269 HydrophobicContact CE-CZ 3.19Å; M267-F269 HydrophobicContact CG-CE2 3.91Å; M267-F269 HydrophobicContact CG-CZ 4.01Å; M267-F269 WeakPolarHBondContact O-CE2 3.2Å; M267-F269 HydrophobicContact SD-CZ 4.42Å; M267-Q292 CarbonylContact O-C 3.57Å; M267-Q292 VanDerWaalsContact O-CA 3.31Å; M267-Q292 WeakPolarHBondContact O-CA 3.17Å; M267-V293 PolarHBondContact N-O 2.98Å; M267-V293 PolarHBondContact O-N 2.69Å
268T98.6Very high96.2Very high7 Ų743.8 Ų43.84%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-104.3134.7-177.5-580000109.2S108 F109 F170 F270 C290 Q292S108-T268 CarbonylContact C-O 3.59Å; S108-T268 VanDerWaalsContact CA-O 3.28Å; S108-T268 WeakPolarHBondContact CA-O 3.45Å; F109-T268 PolarHBondContact N-O 3.26Å; F109-T268 PolarHBondContact O-N 3.41Å; F170-T268 HydrophobicContact CZ-CG2 4.13Å; T268-F270 HydrophobicContact CG2-CD2 4.44Å; T268-F270 HydrophobicContact CG2-CE1 4.45Å; T268-F270 HydrophobicContact CG2-CE2 3.8Å; T268-F270 HydrophobicContact CG2-CZ 3.81Å; T268-C290 VanDerWaalsContact CG2-SG 3.53Å; T268-Q292 PolarHBondContact OG1-NE2 2.98Å; T268-Q292 VanDerWaalsContact OG1-NE2 3.08Å
269F98.6Very high95.8Very high0 Ų042.3 Ų42.30%024%0.236CC..EExtended strand (participates in β ladder)trans-116.8120.8-176.3-60.4-103.3000109.6P87 V92 V106 E107 M267 C290 T291 V293P87-F269 WeakPolarHBondContact O-CZ 3.47Å; V92-F269 HydrophobicContact CG2-CD1 4.4Å; V92-F269 HydrophobicContact CG2-CE1 4.22Å; V106-F269 HydrophobicContact CG1-CB 4.15Å; V106-F269 HydrophobicContact CG1-CD1 3.79Å; V106-F269 HydrophobicContact CG1-CG 4.48Å; E107-F269 CarbonylContact O-C 3.58Å; E107-F269 WeakPolarHBondContact O-CA 3.42Å; M267-F269 HydrophobicContact CB-CE2 4.05Å; M267-F269 HydrophobicContact CB-CZ 4.46Å; M267-F269 HydrophobicContact CE-CE1 3.9Å; M267-F269 HydrophobicContact CE-CE2 3.92Å; M267-F269 HydrophobicContact CE-CZ 3.19Å; M267-F269 HydrophobicContact CG-CE2 3.91Å; M267-F269 HydrophobicContact CG-CZ 4.01Å; M267-F269 WeakPolarHBondContact O-CE2 3.2Å; M267-F269 HydrophobicContact SD-CZ 4.42Å; F269-C290 VanDerWaalsContact O-CA 3.31Å; F269-C290 WeakPolarHBondContact O-CA 3.31Å; F269-T291 PolarHBondContact N-O 3.02Å; F269-T291 PolarHBondContact O-N 3.44Å; F269-V293 HydrophobicContact CE2-CB 4.23Å; F269-V293 HydrophobicContact CE2-CG2 3.65Å; F269-V293 HydrophobicContact CZ-CG2 4.26Å
270F97.9Very high95.4Very high59 Ų5941.8 Ų41.826%0.25924%0.235SC..EExtended strand (participates in β ladder)trans-100.9107.7171.6-62.3-81.5000108.5V106 E107 F109 E169 F170 T268 C290V106-F270 WeakPolarHBondContact CA-O 3.4Å; E107-F270 PolarHBondContact N-O 3.19Å; E107-F270 PolarHBondContact O-N 2.96Å; F109-F270 AromaticContact CD2-CD2 3.7Å; F109-F270 HydrophobicContact CD2-CD2 3.7Å; F109-F270 AromaticContact CD2-CE2 3.79Å; F109-F270 HydrophobicContact CD2-CE2 3.79Å; F109-F270 AromaticContact CE2-CD2 3.73Å; F109-F270 HydrophobicContact CE2-CD2 3.73Å; F109-F270 HydrophobicContact CE2-CE2 4.04Å; E169-F270 HydrophobicContact CB-CZ 4.07Å; E169-F270 HydrophobicContact CG-CE1 4.42Å; E169-F270 HydrophobicContact CG-CZ 4.02Å; F170-F270 AromaticContact CE2-CE2 3.9Å; F170-F270 HydrophobicContact CE2-CE2 3.9Å; F170-F270 HydrophobicContact CE2-CZ 4.44Å; F170-F270 AromaticContact CZ-CE2 3.79Å; F170-F270 HydrophobicContact CZ-CE2 3.79Å; F170-F270 HydrophobicContact CZ-CZ 4.17Å; T268-F270 HydrophobicContact CG2-CD2 4.44Å; T268-F270 HydrophobicContact CG2-CE1 4.45Å; T268-F270 HydrophobicContact CG2-CE2 3.8Å; T268-F270 HydrophobicContact CG2-CZ 3.81Å; F270-C290 HydrophobicContact CD1-CB 4.35Å; F270-C290 HydrophobicContact CE1-CB 4.42Å
271G97.4Very high94.9Very high1 Ų148.8 Ų48.81%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-97.6137.3178.400000111.9A105 K288 I289A105-G271 CarbonylContact O-C 3.2Å; A105-G271 WeakPolarHBondContact O-CA 3.49Å; G271-K288 VanDerWaalsContact O-CA 3.32Å; G271-K288 WeakPolarHBondContact O-CA 3.43Å; G271-I289 PolarHBondContact N-O 3.44Å; G271-I289 PolarHBondContact O-N 2.87Å
272E96.6Very high94.2Very high76 Ų7650.8 Ų50.836%0.35527%0.271SS..EExtended strand (participates in β ladder)trans-122.2138170.6-60.2-168.315200110.4T104 A105 P285 K288T104-E272 PolarHBondContact N-O 2.74Å; T104-E272 PolarHBondContact OG1-O 2.74Å; A105-E272 PolarHBondContact N-O 3.27Å; A105-E272 VanDerWaalsContact N-O 3.09Å; A105-E272 PolarHBondContact O-N 3.32Å; E272-P285 HydrophobicContact CB-CB 4.14Å; E272-K288 HydrophobicContact CG-CG 4.37Å; E272-K288 WeakPolarHBondContact OE1-CE 3.45Å; E272-K288 IonicContact OE1-NZ 2.65Å
273G96.1Very high93.5Very high0 Ų050.4 Ų50.40%029%0.287CS..EExtended strand (participates in β ladder)trans-161.2-166.7-175.300000113.7T102 P285 N286 V287T102-G273 CarbonylContact O-C 3.27Å; T102-G273 WeakPolarHBondContact O-CA 3.29Å; G273-P285 CarbonylContact O-C 3.56Å; G273-P285 WeakPolarHBondContact O-CA 3.2Å; G273-P285 VanDerWaalsContact O-CB 3.3Å; G273-P285 WeakPolarHBondContact O-CB 3.27Å; G273-N286 PolarHBondContact O-N 2.8Å; G273-V287 PolarHBondContact N-O 3.37Å; G273-V287 PolarHBondContact O-N 3.43Å
274Y96.1Very high93.2Very high1 Ų158.7 Ų58.70%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-118.1140.6-175.7-63.9-100.6000109.3G101 T102 T104 G155 A156 P280 G283 P285 N286G101-Y274 CarbonylContact C-O 3.49Å; G101-Y274 WeakPolarHBondContact CA-O 3.34Å; T102-Y274 PolarHBondContact N-O 3.48Å; T102-Y274 PolarHBondContact O-N 3.27Å; T104-Y274 HydrophobicContact CG2-CD2 3.79Å; T104-Y274 HydrophobicContact CG2-CE2 3.84Å; G155-Y274 WeakPolarHBondContact CA-OH 3.21Å; A156-Y274 PolarHBondContact N-OH 3.26Å; A156-Y274 VanDerWaalsContact N-OH 3.16Å; Y274-P280 HydrophobicContact CD2-CB 3.72Å; Y274-P280 HydrophobicContact CD2-CG 4.08Å; Y274-P280 HydrophobicContact CE2-CB 3.78Å; Y274-P280 HydrophobicContact CG-CB 4.19Å; Y274-P280 HydrophobicContact CG-CG 4.31Å; Y274-P280 PolarHBondContact OH-O 3.31Å; Y274-G283 PolarHBondContact OH-O 3.44Å; Y274-P285 HydrophobicContact CE2-CB 4.43Å; Y274-P285 HydrophobicContact CE2-CG 4.01Å; Y274-N286 VanDerWaalsContact CA-OD1 3.3Å; Y274-N286 WeakPolarHBondContact CA-OD1 3.43Å
275S94.6Very high93Very high24 Ų2458.3 Ų58.317%0.16832%0.319CS..  trans-61.6158.5174.457.20000111.5G277 Q278 N286S275-G277 PolarHBondContact O-N 3.17Å; S275-Q278 WeakPolarHBondContact O-CB 3.37Å; S275-Q278 PolarHBondContact O-N 2.84Å; S275-Q278 WeakPolarHBondContact OG-CG 3.46Å; S275-N286 PolarHBondContact N-OD1 2.89Å; S275-N286 PolarHBondContact OG-ND2 2.98Å
276E92.4Very high92.8Very high171 Ų17160.6 Ų60.680%0.79933%0.331SS*.THydrogen-bonded Turntrans-54.5132.8-178.9-170.1169.4-158.700111.8Q278E276-Q278 VanDerWaalsContact C-N 3.27Å; E276-Q278 PolarHBondContact O-N 2.98Å
277G86.8Confident92.6Very high86 Ų8659.7 Ų59.789%0.88733%0.326SS*.THydrogen-bonded Turntrans80-6.9-17800000115.6S275S275-G277 PolarHBondContact O-N 3.17Å
278Q90.1Very high92.4Very high88 Ų8865.1 Ų65.141%0.41135%0.349SS..  trans-81.6133.3170.6-71.6-154.9-5.700111.7S275 E276 P280 N286S275-Q278 WeakPolarHBondContact O-CB 3.37Å; S275-Q278 PolarHBondContact O-N 2.84Å; S275-Q278 WeakPolarHBondContact OG-CG 3.46Å; E276-Q278 VanDerWaalsContact C-N 3.27Å; E276-Q278 PolarHBondContact O-N 2.98Å; Q278-P280 VanDerWaalsContact O-CD 3.27Å; Q278-P280 WeakPolarHBondContact O-CD 3.43Å; Q278-N286 PolarHBondContact OE1-ND2 3.23Å
279D87.7Confident92.4Very high63 Ų6365 Ų6534%0.33735%0.348SS..  trans-74.3116.3174.6178.8-0.6000109.8Q281 K282D279-Q281 PolarHBondContact O-N 2.88Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.33Å; D279-Q281 WeakPolarHBondContact OD1-CG 3.23Å; D279-Q281 PolarHBondContact OD1-N 3.27Å; D279-K282 HydrophobicContact CB-CB 4.39Å; D279-K282 HydrophobicContact CB-CD 4.18Å; D279-K282 HydrophobicContact CB-CG 4.23Å; D279-K282 PolarHBondContact O-N 3.28Å; D279-K282 WeakPolarHBondContact OD2-CE 3.44Å
280P88.9Confident92.4Very high20 Ų2065.4 Ų65.413%0.1335%0.351CS..THydrogen-bonded Turntrans-60.6-14.3178-24.436.2000114.3T102 T104 V154 G155 Y274 Q278 K282T102-P280 HydrophobicContact CG2-CG 3.92Å; T104-P280 HydrophobicContact CG2-CB 4.08Å; T104-P280 HydrophobicContact CG2-CG 4.46Å; V154-P280 HydrophobicContact CG1-CB 3.62Å; V154-P280 HydrophobicContact CG1-CG 4.18Å; G155-P280 VanDerWaalsContact CA-O 3.27Å; G155-P280 WeakPolarHBondContact CA-O 3.27Å; Y274-P280 HydrophobicContact CD2-CB 3.72Å; Y274-P280 HydrophobicContact CD2-CG 4.08Å; Y274-P280 HydrophobicContact CE2-CB 3.78Å; Y274-P280 HydrophobicContact CG-CB 4.19Å; Y274-P280 HydrophobicContact CG-CG 4.31Å; Y274-P280 PolarHBondContact OH-O 3.31Å; Q278-P280 VanDerWaalsContact O-CD 3.27Å; Q278-P280 WeakPolarHBondContact O-CD 3.43Å; P280-K282 VanDerWaalsContact C-N 3.26Å
281Q84.5Confident92.4Very high174 Ų17462.6 Ų62.681%0.81334%0.339SS*.THydrogen-bonded Turntrans-77.7-12.5172.9-57.6-169.520.800112.9D279D279-Q281 PolarHBondContact O-N 2.88Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.33Å; D279-Q281 WeakPolarHBondContact OD1-CG 3.23Å; D279-Q281 PolarHBondContact OD1-N 3.27Å
282K82.1Confident92.4Very high149 Ų14963.6 Ų63.665%0.64834%0.343SS*.SBendtrans-115.9122-175.7-61.9-179.5-172.8173.10110.1D279 P280D279-K282 HydrophobicContact CB-CB 4.39Å; D279-K282 HydrophobicContact CB-CD 4.18Å; D279-K282 HydrophobicContact CB-CG 4.23Å; D279-K282 PolarHBondContact O-N 3.28Å; D279-K282 WeakPolarHBondContact OD2-CE 3.44Å; P280-K282 VanDerWaalsContact C-N 3.26Å
283G82.9Confident92.5Very high66 Ų6660 Ų6068%0.6833%0.326SS*.SBendtrans78.2-16917400000114.8Y274Y274-G283 PolarHBondContact OH-O 3.44Å
284K91.4Very high92.7Very high179 Ų17964.2 Ų64.278%0.77835%0.345SS*.  trans-99.7152-177.2-64.8179.3-177.6173.40109.9N286K284-N286 PolarHBondContact O-N 3.37Å
285P94.1Very high92.8Very high36 Ų3664.6 Ų64.623%0.23435%0.349CS..  trans-51.2131.8170.2-25.233.8000110.7A156 E272 G273 Y274A156-P285 HydrophobicContact CB-CG 3.9Å; E272-P285 HydrophobicContact CB-CB 4.14Å; G273-P285 CarbonylContact O-C 3.56Å; G273-P285 WeakPolarHBondContact O-CA 3.2Å; G273-P285 VanDerWaalsContact O-CB 3.3Å; G273-P285 WeakPolarHBondContact O-CB 3.27Å; Y274-P285 HydrophobicContact CE2-CB 4.43Å; Y274-P285 HydrophobicContact CE2-CG 4.01Å
286N93.9Very high92.9Very high48 Ų4865.1 Ų65.126%0.25735%0.352SS..  trans-119.6-5-178.466.8-20.6000113G273 Y274 S275 Q278 K284G273-N286 PolarHBondContact O-N 2.8Å; Y274-N286 VanDerWaalsContact CA-OD1 3.3Å; Y274-N286 WeakPolarHBondContact CA-OD1 3.43Å; S275-N286 PolarHBondContact N-OD1 2.89Å; S275-N286 PolarHBondContact OG-ND2 2.98Å; Q278-N286 PolarHBondContact OE1-ND2 3.23Å; K284-N286 PolarHBondContact O-N 3.37Å
287V94.7Very high93.2Very high2 Ų257.4 Ų57.41%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-117.3133.7175.9179.90000110L99 G273 P356 E357 V358L99-V287 HydrophobicContact CD1-CG1 3.95Å; L99-V287 HydrophobicContact CG-CG1 4.07Å; G273-V287 PolarHBondContact N-O 3.37Å; G273-V287 PolarHBondContact O-N 3.43Å; V287-P356 HydrophobicContact CG1-CB 3.82Å; V287-E357 WeakPolarHBondContact CA-O 3.43Å; V287-V358 HydrophobicContact CG2-CG2 4.46Å
288K95.8Very high93.6Very high118 Ų11854 Ų5451%0.51328%0.278SS..EExtended strand (participates in β ladder)trans-121.6142.7173.8-63.6-172.3176.9-174.90111.2G271 E272 P356 E357G271-K288 VanDerWaalsContact O-CA 3.32Å; G271-K288 WeakPolarHBondContact O-CA 3.43Å; E272-K288 HydrophobicContact CG-CG 4.37Å; E272-K288 WeakPolarHBondContact OE1-CE 3.45Å; E272-K288 IonicContact OE1-NZ 2.65Å; K288-P356 VanDerWaalsContact O-CA 3.26Å; K288-P356 WeakPolarHBondContact O-CA 3.45Å; K288-E357 PolarHBondContact N-O 3.35Å; K288-E357 PolarHBondContact O-N 2.84Å
289I97.4Very high93.8Very high4 Ų451.2 Ų51.22%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-134.7142.9173.8-170.8171.6000109.8T95 K98 L99 G271 T291 V352 P356T95-I289 HydrophobicContact CG2-CG2 3.57Å; K98-I289 HydrophobicContact CB-CD1 3.68Å; L99-I289 HydrophobicContact CB-CD1 4.4Å; L99-I289 HydrophobicContact CB-CG2 4.27Å; L99-I289 HydrophobicContact CD1-CB 4.4Å; L99-I289 HydrophobicContact CD1-CG2 3.84Å; G271-I289 PolarHBondContact N-O 3.44Å; G271-I289 PolarHBondContact O-N 2.87Å; I289-T291 HydrophobicContact CD1-CG2 3.87Å; I289-T291 HydrophobicContact CG1-CG2 3.96Å; I289-V352 HydrophobicContact CG1-CG1 4.45Å; I289-P356 HydrophobicContact CD1-CG 4.48Å
290C98.1Very high94.2Very high9 Ų951.9 Ų51.96%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-116.1119.8168-172.70000109.3T268 F269 F270 I353 S354T268-C290 VanDerWaalsContact CG2-SG 3.53Å; F269-C290 VanDerWaalsContact O-CA 3.31Å; F269-C290 WeakPolarHBondContact O-CA 3.31Å; F270-C290 HydrophobicContact CD1-CB 4.35Å; F270-C290 HydrophobicContact CE1-CB 4.42Å; C290-I353 HydrophobicContact CB-CB 4.38Å; C290-I353 PolarHBondContact O-N 3.28Å; C290-S354 WeakPolarHBondContact CB-OG 3.29Å; C290-S354 PolarHBondContact N-O 3.31Å; C290-S354 PolarHBondContact N-OG 3.09Å; C290-S354 PolarHBondContact O-N 3.39Å
291T98.7Very high94.6Very high0 Ų053.2 Ų53.20%028%0.277CS..EExtended strand (participates in β ladder)trans-119.5168.2171.976.60000110.4Y94 T95 F269 I289 S351 V352Y94-T291 HydrophobicContact CD1-CG2 4.1Å; Y94-T291 HydrophobicContact CE1-CG2 4.1Å; T95-T291 HydrophobicContact CG2-CG2 4.16Å; T95-T291 PolarHBondContact OG1-OG1 3.14Å; F269-T291 PolarHBondContact N-O 3.02Å; F269-T291 PolarHBondContact O-N 3.44Å; I289-T291 HydrophobicContact CD1-CG2 3.87Å; I289-T291 HydrophobicContact CG1-CG2 3.96Å; T291-S351 CarbonylContact C-O 3.47Å; T291-S351 VanDerWaalsContact CA-O 3.23Å; T291-S351 WeakPolarHBondContact CA-O 3.44Å; T291-S351 VanDerWaalsContact CB-O 3.31Å; T291-S351 WeakPolarHBondContact CB-O 2.98Å; T291-V352 HydrophobicContact CG2-CG2 4.3Å
292Q98.4Very high95.2Very high21 Ų2145 Ų4510%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-148.1141.6-176.2-174.3170.384.400111.5T266 M267 T268 K294 F350 S351 I353T266-Q292 HydrophobicContact CG2-CG 3.57Å; M267-Q292 CarbonylContact O-C 3.57Å; M267-Q292 VanDerWaalsContact O-CA 3.31Å; M267-Q292 WeakPolarHBondContact O-CA 3.17Å; T268-Q292 PolarHBondContact OG1-NE2 2.98Å; T268-Q292 VanDerWaalsContact OG1-NE2 3.08Å; Q292-K294 HydrophobicContact CG-CG 4.14Å; Q292-F350 WeakPolarHBondContact O-CA 3.33Å; Q292-S351 PolarHBondContact N-O 2.94Å; Q292-S351 PolarHBondContact O-N 3.21Å; Q292-I353 HydrophobicContact CB-CD1 3.84Å; Q292-I353 HydrophobicContact CB-CG1 3.53Å
293V98.7Very high96Very high0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-112.6117.8167.4-174.70000108.3P87 F265 T266 M267 F269 E349 F350P87-V293 HydrophobicContact CB-CG1 4.23Å; F265-V293 HydrophobicContact CE2-CG1 3.98Å; F265-V293 HydrophobicContact CZ-CG1 4.27Å; T266-V293 WeakPolarHBondContact CA-O 3.34Å; M267-V293 PolarHBondContact N-O 2.98Å; M267-V293 PolarHBondContact O-N 2.69Å; F269-V293 HydrophobicContact CE2-CB 4.23Å; F269-V293 HydrophobicContact CE2-CG2 3.65Å; F269-V293 HydrophobicContact CZ-CG2 4.26Å; V293-E349 CarbonylContact C-O 3.5Å; V293-E349 VanDerWaalsContact CA-O 3.26Å; V293-E349 WeakPolarHBondContact CA-O 3.2Å; V293-F350 HydrophobicContact CB-CE1 4.5Å; V293-F350 HydrophobicContact CG1-CD2 4.39Å; V293-F350 HydrophobicContact CG1-CE1 4.28Å; V293-F350 HydrophobicContact CG1-CE2 4.02Å; V293-F350 HydrophobicContact CG1-CZ 3.96Å; V293-F350 HydrophobicContact CG2-CD1 3.44Å; V293-F350 VanDerWaalsContact CG2-CD1 3.44Å; V293-F350 HydrophobicContact CG2-CE1 3.38Å; V293-F350 HydrophobicContact CG2-CE2 4.47Å; V293-F350 HydrophobicContact CG2-CG 4.03Å; V293-F350 HydrophobicContact CG2-CZ 3.93Å
294K98.5Very high96.7Very high90 Ų9038.3 Ų38.339%0.39120%0.198SC..EExtended strand (participates in β ladder)trans-110.2145.4174.8-82.6170.8165.31470109.9T266 Q292 M348 E349T266-K294 HydrophobicContact CG2-CG 3.99Å; Q292-K294 HydrophobicContact CG-CG 4.14Å; K294-M348 CarbonylContact O-C 3.54Å; K294-M348 VanDerWaalsContact O-CA 3.26Å; K294-M348 WeakPolarHBondContact O-CA 3.46Å; K294-E349 PolarHBondContact N-O 2.7Å; K294-E349 PolarHBondContact O-N 3.2Å
295G98.3Very high97Very high9 Ų931.6 Ų31.69%0.09317%0.17CC..EExtended strand (participates in β ladder)trans-162.3176.2174.200000113.5S264 F265 G347S264-G295 WeakPolarHBondContact CA-O 3.2Å; S264-G295 VanDerWaalsContact CB-O 3.31Å; S264-G295 WeakPolarHBondContact CB-O 3.16Å; F265-G295 VanDerWaalsContact CE1-CA 3.48Å; F265-G295 PolarHBondContact N-O 3.36Å; F265-G295 PolarHBondContact O-N 2.99Å; F265-G295 VanDerWaalsContact O-N 3.14Å; G295-G347 WeakPolarHBondContact CA-O 3.45Å
296P98.1Very high97.2Very high35 Ų3529.9 Ų29.923%0.22716%0.159CC..SBendtrans-72.1-164.317934.5-38.3000110.4T263 F265 I301 A302 I305 G347T263-P296 CarbonylContact O-C 3.43Å; F265-P296 WeakPolarHBondContact CD1-O 3.31Å; P296-I301 HydrophobicContact CB-CB 4.02Å; P296-I301 HydrophobicContact CB-CD1 4.34Å; P296-I301 HydrophobicContact CB-CG2 3.66Å; P296-I301 HydrophobicContact CG-CB 3.92Å; P296-I301 HydrophobicContact CG-CG2 3.39Å; P296-A302 HydrophobicContact CG-CB 4.24Å; P296-I305 HydrophobicContact CG-CD1 4.36Å; P296-G347 WeakPolarHBondContact CD-O 3.26Å
297E97.7Very high97.4Very high8 Ų827.9 Ų27.94%0.03715%0.148CC..  trans-51.9128.9179.3-168.3-74.4139.500111.9M260 T263 G299 Y300 I301 A302M260-E297 HydrophobicContact CB-CB 4.41Å; M260-E297 HydrophobicContact CB-CG 4.44Å; M260-E297 HydrophobicContact CG-CG 4.41Å; M260-E297 WeakPolarHBondContact O-CB 3.02Å; T263-E297 HydrophobicContact CG2-CB 4.25Å; T263-E297 HydrophobicContact CG2-CG 3.74Å; T263-E297 WeakPolarHBondContact O-CA 3.46Å; T263-E297 PolarHBondContact O-N 3.22Å; E297-G299 PolarHBondContact O-N 2.88Å; E297-G299 PolarHBondContact OE1-N 2.89Å; E297-G299 PolarHBondContact OE2-N 3.09Å; E297-Y300 WeakPolarHBondContact OE2-CA 3.48Å; E297-Y300 WeakPolarHBondContact OE2-CB 3.45Å; E297-Y300 PolarHBondContact OE2-N 2.75Å; E297-I301 HydrophobicContact CB-CB 4.47Å; E297-I301 HydrophobicContact CB-CD1 4.07Å; E297-I301 HydrophobicContact CB-CG1 4.2Å; E297-I301 PolarHBondContact O-N 3.3Å; E297-A302 WeakPolarHBondContact O-CB 3.48Å; E297-A302 PolarHBondContact O-N 3.42Å
298P96Very high97.6Very high14 Ų1431 Ų319%0.09117%0.168CC..Iπ-helixtrans-55-49.7-174.5-33.738.8000117F83 V112 F265 T303F83-P298 HydrophobicContact CB-CB 4.36Å; F83-P298 WeakPolarHBondContact CB-O 3.38Å; F83-P298 HydrophobicContact CD1-CB 3.64Å; F83-P298 HydrophobicContact CD2-CB 3.8Å; F83-P298 HydrophobicContact CD2-CG 4.39Å; F83-P298 HydrophobicContact CE1-CB 3.81Å; F83-P298 HydrophobicContact CE1-CG 4.29Å; F83-P298 HydrophobicContact CE2-CB 3.99Å; F83-P298 HydrophobicContact CE2-CG 4.13Å; F83-P298 HydrophobicContact CG-CB 3.63Å; F83-P298 HydrophobicContact CZ-CB 3.98Å; F83-P298 HydrophobicContact CZ-CG 4.07Å; V112-P298 HydrophobicContact CG2-CG 4.45Å; F265-P298 HydrophobicContact CB-CG 3.96Å; F265-P298 HydrophobicContact CD1-CG 4.1Å; F265-P298 HydrophobicContact CG-CG 4.41Å; P298-T303 PolarHBondContact O-N 3.04Å; P298-T303 VanDerWaalsContact O-N 3.16Å; P298-T303 PolarHBondContact O-OG1 3.19Å
299G93.9Very high97.7Very high30 Ų3026.5 Ų26.531%0.30915%0.148SC..Iπ-helixtrans-84-35.2-16300000115E297 T303E297-G299 PolarHBondContact O-N 2.88Å; E297-G299 PolarHBondContact OE1-N 2.89Å; E297-G299 PolarHBondContact OE2-N 3.09Å; G299-T303 VanDerWaalsContact O-CB 3.31Å; G299-T303 WeakPolarHBondContact O-CB 3.37Å
300Y95.5Very high97.8Very high78 Ų7826.3 Ų26.331%0.30615%0.147SC..Iπ-helixtrans-125.1-15.3-164.3-59.9-81.6000113.2H122 P255 M260 E297 P304H122-Y300 WeakPolarHBondContact CA-OH 3.44Å; H122-Y300 WeakPolarHBondContact CB-OH 3.43Å; H122-Y300 PolarHBondContact N-OH 2.99Å; P255-Y300 HydrophobicContact CG-CD2 3.37Å; P255-Y300 HydrophobicContact CG-CE2 3.48Å; P255-Y300 VanDerWaalsContact CG-CE2 3.48Å; P255-Y300 HydrophobicContact CG-CG 4.03Å; M260-Y300 WeakPolarHBondContact SD-CB 3.48Å; M260-Y300 HydrophobicContact SD-CD2 4.42Å; M260-Y300 HydrophobicContact SD-CG 4Å; E297-Y300 WeakPolarHBondContact OE2-CA 3.48Å; E297-Y300 WeakPolarHBondContact OE2-CB 3.45Å; E297-Y300 PolarHBondContact OE2-N 2.75Å; Y300-P304 WeakPolarHBondContact O-CG 3.46Å
301I97.5Very high97.8Very high48 Ų4826.2 Ų26.225%0.24615%0.147CC..Iπ-helixtrans-108.9-59.2171-53180000110.2M260 P296 E297 T303 P304 I305M260-I301 HydrophobicContact CB-CD1 4.1Å; P296-I301 HydrophobicContact CB-CB 4.02Å; P296-I301 HydrophobicContact CB-CD1 4.34Å; P296-I301 HydrophobicContact CB-CG2 3.66Å; P296-I301 HydrophobicContact CG-CB 3.92Å; P296-I301 HydrophobicContact CG-CG2 3.39Å; E297-I301 HydrophobicContact CB-CB 4.47Å; E297-I301 HydrophobicContact CB-CD1 4.07Å; E297-I301 HydrophobicContact CB-CG1 4.2Å; E297-I301 PolarHBondContact O-N 3.3Å; I301-T303 PolarHBondContact O-N 2.92Å; I301-P304 WeakPolarHBondContact O-CD 2.87Å; I301-I305 HydrophobicContact CG2-CD1 3.87Å; I301-I305 WeakPolarHBondContact O-CD1 3.35Å; I301-I305 VanDerWaalsContact O-CG1 3.23Å; I301-I305 WeakPolarHBondContact O-CG1 3.41Å; I301-I305 PolarHBondContact O-N 3.03Å
302A98.1Very high97.8Very high0 Ų027.9 Ų27.90%016%0.157CC..Iπ-helixtrans-66.4-38.9-175.500000112.7F265 P296 E297 I305 A306 M348F265-A302 HydrophobicContact CD1-CB 4.45Å; F265-A302 HydrophobicContact CE1-CB 3.75Å; P296-A302 HydrophobicContact CG-CB 4.24Å; E297-A302 WeakPolarHBondContact O-CB 3.48Å; E297-A302 PolarHBondContact O-N 3.42Å; A302-I305 PolarHBondContact O-N 3.21Å; A302-A306 VanDerWaalsContact O-CB 3.31Å; A302-A306 WeakPolarHBondContact O-CB 3.2Å; A302-A306 PolarHBondContact O-N 2.86Å; A302-M348 HydrophobicContact CB-SD 4.04Å
303T97.3Very high97.8Very high13 Ų1326.9 Ų26.98%0.0815%0.153CC..Hα-helixtrans-63.6-51.6-179.6-70.60000113.2I52 F83 P298 G299 I301 I305 A306 M307I52-T303 HydrophobicContact CB-CG2 4.11Å; I52-T303 HydrophobicContact CD1-CG2 3.67Å; I52-T303 HydrophobicContact CG1-CG2 4.49Å; I52-T303 HydrophobicContact CG2-CG2 3.86Å; F83-T303 WeakPolarHBondContact CB-OG1 3.44Å; F83-T303 PolarHBondContact N-OG1 3.45Å; P298-T303 PolarHBondContact O-N 3.04Å; P298-T303 VanDerWaalsContact O-N 3.16Å; P298-T303 PolarHBondContact O-OG1 3.19Å; G299-T303 VanDerWaalsContact O-CB 3.31Å; G299-T303 WeakPolarHBondContact O-CB 3.37Å; I301-T303 PolarHBondContact O-N 2.92Å; T303-I305 VanDerWaalsContact C-N 3.29Å; T303-I305 PolarHBondContact O-N 3.18Å; T303-A306 PolarHBondContact O-N 2.88Å; T303-M307 WeakPolarHBondContact O-CB 3.26Å; T303-M307 PolarHBondContact O-N 3.25Å
304P97.9Very high97.7Very high63 Ų6327.5 Ų27.541%0.40916%0.156SC..Hα-helixtrans-58.2-38.8173.1-28.436.8000113.4Y300 I301 M307 V308Y300-P304 WeakPolarHBondContact O-CG 3.46Å; I301-P304 WeakPolarHBondContact O-CD 2.87Å; P304-M307 PolarHBondContact O-N 2.88Å; P304-V308 WeakPolarHBondContact O-CB 3.3Å; P304-V308 VanDerWaalsContact O-CG2 3.27Å; P304-V308 WeakPolarHBondContact O-CG2 3.46Å; P304-V308 PolarHBondContact O-N 2.93Å
305I98.4Very high97.7Very high37 Ų3726.4 Ų26.419%0.1915%0.154CC..Hα-helixtrans-61.2-50.5175.5-65.7164.6000110P296 I301 A302 T303 M307 V308 Q309 R346 M348P296-I305 HydrophobicContact CG-CD1 4.36Å; I301-I305 HydrophobicContact CG2-CD1 3.87Å; I301-I305 WeakPolarHBondContact O-CD1 3.35Å; I301-I305 VanDerWaalsContact O-CG1 3.23Å; I301-I305 WeakPolarHBondContact O-CG1 3.41Å; I301-I305 PolarHBondContact O-N 3.03Å; A302-I305 PolarHBondContact O-N 3.21Å; T303-I305 VanDerWaalsContact C-N 3.29Å; T303-I305 PolarHBondContact O-N 3.18Å; I305-M307 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 3.22Å; I305-V308 PolarHBondContact O-N 3.47Å; I305-Q309 HydrophobicContact CG2-CG 4.2Å; I305-Q309 WeakPolarHBondContact O-CB 3.33Å; I305-Q309 VanDerWaalsContact O-CG 3.28Å; I305-Q309 WeakPolarHBondContact O-CG 3.45Å; I305-Q309 PolarHBondContact O-N 3.13Å; I305-R346 HydrophobicContact CG2-CB 3.5Å; I305-R346 HydrophobicContact CG2-CG 4.41Å; I305-M348 HydrophobicContact CB-CE 3.97Å; I305-M348 HydrophobicContact CG2-CE 3.54Å
306A98.6Very high97.7Very high0 Ų032.1 Ų32.10%018%0.178CC..Hα-helixtrans-57.1-47.6-179.600000111.5C81 I86 A302 T303 Q309 A310 L343 M348C81-A306 CarbonylContact O-C 3.56Å; I86-A306 HydrophobicContact CB-CB 4.23Å; I86-A306 HydrophobicContact CD1-CB 3.83Å; I86-A306 HydrophobicContact CG2-CB 4.14Å; A302-A306 VanDerWaalsContact O-CB 3.31Å; A302-A306 WeakPolarHBondContact O-CB 3.2Å; A302-A306 PolarHBondContact O-N 2.86Å; T303-A306 PolarHBondContact O-N 2.88Å; A306-Q309 PolarHBondContact O-N 2.95Å; A306-A310 VanDerWaalsContact O-CB 3.3Å; A306-A310 WeakPolarHBondContact O-CB 3.4Å; A306-A310 PolarHBondContact O-N 3.33Å; A306-L343 HydrophobicContact CB-CD2 4.48Å; A306-M348 HydrophobicContact CB-CE 3.84Å; A306-M348 HydrophobicContact CB-SD 4.49Å
307M98.3Very high97.6Very high6 Ų631 Ų313%0.0317%0.171CC..Hα-helixtrans-65.8-46.7-178.2-167.9-170.1-163.500112L25 D26 C27 I50 I52 C81 T303 P304 I305 A310 A311L25-M307 VanDerWaalsContact C-CE 3.47Å; L25-M307 HydrophobicContact CB-CE 3.47Å; L25-M307 VanDerWaalsContact CB-CE 3.47Å; L25-M307 HydrophobicContact CB-SD 4.12Å; L25-M307 HydrophobicContact CD2-CG 4.29Å; L25-M307 HydrophobicContact CD2-SD 4.3Å; L25-M307 HydrophobicContact CG-CE 3.92Å; L25-M307 HydrophobicContact CG-CG 4.35Å; L25-M307 HydrophobicContact CG-SD 4.29Å; D26-M307 WeakPolarHBondContact O-CE 3.49Å; C27-M307 PolarHBondContact SG-SD 2.97Å; I50-M307 HydrophobicContact CG2-CE 4.2Å; I50-M307 HydrophobicContact CG2-CG 3.99Å; I50-M307 VanDerWaalsContact O-CE 3.26Å; I50-M307 WeakPolarHBondContact O-CE 3.34Å; I52-M307 HydrophobicContact CG2-CB 3.93Å; I52-M307 HydrophobicContact CG2-CE 4.12Å; I52-M307 HydrophobicContact CG2-CG 3.83Å; I52-M307 HydrophobicContact CG2-SD 3.65Å; C81-M307 WeakPolarHBondContact O-CA 3.26Å; C81-M307 WeakPolarHBondContact O-CB 3.42Å; C81-M307 PolarHBondContact O-N 2.94Å; C81-M307 VanDerWaalsContact O-N 3.11Å; T303-M307 WeakPolarHBondContact O-CB 3.26Å; T303-M307 PolarHBondContact O-N 3.25Å; P304-M307 PolarHBondContact O-N 2.88Å; I305-M307 VanDerWaalsContact C-N 3.34Å; I305-M307 PolarHBondContact O-N 3.22Å; M307-A310 PolarHBondContact O-N 3.47Å; M307-A311 WeakPolarHBondContact O-CB 3.47Å; M307-A311 PolarHBondContact O-N 3.14Å
308V98.4Very high97.4Very high69 Ų6933.6 Ų33.642%0.41819%0.193SC..Hα-helixtrans-66.3-41.4178.9172.60000110.7L25 P304 I305 A310 A311 V312L25-V308 HydrophobicContact CD2-CG2 4.44Å; P304-V308 WeakPolarHBondContact O-CB 3.3Å; P304-V308 VanDerWaalsContact O-CG2 3.27Å; P304-V308 WeakPolarHBondContact O-CG2 3.46Å; P304-V308 PolarHBondContact O-N 2.93Å; I305-V308 PolarHBondContact O-N 3.47Å; V308-A310 VanDerWaalsContact C-N 3.33Å; V308-A310 PolarHBondContact O-N 3.25Å; V308-A311 WeakPolarHBondContact O-CB 3.42Å; V308-A311 PolarHBondContact O-N 3.38Å; V308-V312 HydrophobicContact CG1-CG2 4.48Å; V308-V312 VanDerWaalsContact O-CG2 3.3Å; V308-V312 WeakPolarHBondContact O-CG2 3.41Å; V308-V312 PolarHBondContact O-N 3.32Å
309Q98.6Very high97.4Very high22 Ų2238 Ų3810%0.10323%0.23CC..Hα-helixtrans-67.6-33.8176.8-65.2-35.2-71.500112.2I305 A306 V312 A313 L339 R342 L343 R346I305-Q309 HydrophobicContact CG2-CG 4.2Å; I305-Q309 WeakPolarHBondContact O-CB 3.33Å; I305-Q309 VanDerWaalsContact O-CG 3.28Å; I305-Q309 WeakPolarHBondContact O-CG 3.45Å; I305-Q309 PolarHBondContact O-N 3.13Å; A306-Q309 PolarHBondContact O-N 2.95Å; Q309-V312 PolarHBondContact O-N 3.33Å; Q309-A313 WeakPolarHBondContact O-CB 3.39Å; Q309-A313 PolarHBondContact O-N 2.9Å; Q309-L339 VanDerWaalsContact C-CD1 3.49Å; Q309-L339 HydrophobicContact CB-CD1 3.8Å; Q309-R342 HydrophobicContact CB-CB 4.16Å; Q309-R342 HydrophobicContact CG-CB 4.14Å; Q309-L343 HydrophobicContact CB-CD2 3.76Å; Q309-L343 HydrophobicContact CG-CD2 4.07Å; Q309-R346 HydrophobicContact CG-CG 4.22Å
310A98.5Very high97.5Very high0 Ų039.1 Ų39.10%023%0.233CC..Hα-helixtrans-64.5-42.2171.700000111.9I50 C81 I86 A306 M307 V308 A313 L314 F334 L339I50-A310 HydrophobicContact CD1-CB 4.29Å; C81-A310 HydrophobicContact CB-CB 4.02Å; I86-A310 HydrophobicContact CD1-CB 4.05Å; A306-A310 VanDerWaalsContact O-CB 3.3Å; A306-A310 WeakPolarHBondContact O-CB 3.4Å; A306-A310 PolarHBondContact O-N 3.33Å; M307-A310 PolarHBondContact O-N 3.47Å; V308-A310 VanDerWaalsContact C-N 3.33Å; V308-A310 PolarHBondContact O-N 3.25Å; A310-A313 PolarHBondContact O-N 3.2Å; A310-L314 PolarHBondContact O-N 2.88Å; A310-F334 HydrophobicContact CB-CE2 3.7Å; A310-F334 HydrophobicContact CB-CZ 3.86Å; A310-F334 WeakPolarHBondContact O-CZ 3.5Å; A310-L339 HydrophobicContact CB-CD1 4.43Å
311A98.4Very high97.7Very high8 Ų836.3 Ų36.37%0.06622%0.223CC..Hα-helixtrans-61.3-44.3174.400000112.3L23 L25 I50 M307 V308 L314 L315L23-A311 HydrophobicContact CD2-CB 3.55Å; L25-A311 HydrophobicContact CD1-CB 3.82Å; L25-A311 HydrophobicContact CD2-CB 4.05Å; L25-A311 HydrophobicContact CG-CB 4.23Å; I50-A311 HydrophobicContact CD1-CB 4.16Å; M307-A311 WeakPolarHBondContact O-CB 3.47Å; M307-A311 PolarHBondContact O-N 3.14Å; V308-A311 WeakPolarHBondContact O-CB 3.42Å; V308-A311 PolarHBondContact O-N 3.38Å; A311-L314 PolarHBondContact O-N 3.41Å; A311-L315 WeakPolarHBondContact O-CG 3.47Å; A311-L315 PolarHBondContact O-N 3.37Å; A311-L315 VanDerWaalsContact O-N 3.07Å
312V98.3Very high97.7Very high35 Ų3534.3 Ų34.321%0.21221%0.213CC..Hα-helixtrans-64.5-41.9175.6177.30000110.8V308 Q309 L314 L315 E316V308-V312 HydrophobicContact CG1-CG2 4.48Å; V308-V312 VanDerWaalsContact O-CG2 3.3Å; V308-V312 WeakPolarHBondContact O-CG2 3.41Å; V308-V312 PolarHBondContact O-N 3.32Å; Q309-V312 PolarHBondContact O-N 3.33Å; V312-L314 VanDerWaalsContact C-N 3.34Å; V312-L314 PolarHBondContact O-N 3.05Å; V312-L315 PolarHBondContact O-N 3.43Å; V312-E316 VanDerWaalsContact CG1-CD 3.42Å; V312-E316 HydrophobicContact CG1-CG 4.01Å; V312-E316 WeakPolarHBondContact CG1-OE2 3.44Å; V312-E316 WeakPolarHBondContact O-CB 2.97Å; V312-E316 PolarHBondContact O-N 3.05Å
313A98.3Very high97.5Very high0 Ų039.7 Ų39.70%026%0.258CS..Hα-helixtrans-61.5-40.6175.700000112.1Q309 A310 L315 D317 F334 L339Q309-A313 WeakPolarHBondContact O-CB 3.39Å; Q309-A313 PolarHBondContact O-N 2.9Å; A310-A313 PolarHBondContact O-N 3.2Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.39Å; A313-D317 WeakPolarHBondContact O-CA 3.2Å; A313-D317 VanDerWaalsContact O-CB 3.25Å; A313-D317 WeakPolarHBondContact O-CB 3.23Å; A313-D317 PolarHBondContact O-N 3.49Å; A313-F334 HydrophobicContact CB-CD1 4.05Å; A313-F334 HydrophobicContact CB-CE1 4.02Å; A313-L339 HydrophobicContact CB-CB 4.25Å; A313-L339 HydrophobicContact CB-CD1 4.36Å
314L98.2Very high97.5Very high12 Ų1244.6 Ų44.66%0.06328%0.28CS..Hα-helixtrans-61.1-41.8174.8-175.8156.5000111.8L23 I50 I78 A310 A311 V312 L321 F334L23-L314 HydrophobicContact CD1-CD1 4.11Å; L23-L314 HydrophobicContact CD2-CD2 4.32Å; I50-L314 HydrophobicContact CD1-CB 4.39Å; I50-L314 HydrophobicContact CD1-CD1 4Å; I50-L314 HydrophobicContact CG1-CD1 4.25Å; I78-L314 HydrophobicContact CD1-CD1 3.77Å; I78-L314 HydrophobicContact CG1-CD1 4.5Å; A310-L314 PolarHBondContact O-N 2.88Å; A311-L314 PolarHBondContact O-N 3.41Å; V312-L314 VanDerWaalsContact C-N 3.34Å; V312-L314 PolarHBondContact O-N 3.05Å; L314-L321 HydrophobicContact CG-CD1 4.17Å; L314-F334 HydrophobicContact CB-CE1 4.19Å; L314-F334 HydrophobicContact CB-CZ 4.48Å
315L97.4Very high97.5Very high67 Ų6741.7 Ų41.735%0.35126%0.261SS..Hα-helixtrans-80.7-36.1-175.2-67.8172.4000113.8L23 A311 V312 A313L23-L315 HydrophobicContact CB-CD2 4.36Å; L23-L315 HydrophobicContact CD2-CD1 4.21Å; L23-L315 HydrophobicContact CD2-CG 4.18Å; A311-L315 WeakPolarHBondContact O-CG 3.47Å; A311-L315 PolarHBondContact O-N 3.37Å; A311-L315 VanDerWaalsContact O-N 3.07Å; V312-L315 PolarHBondContact O-N 3.43Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.39Å
316E97.6Very high97.5Very high129 Ų12939.9 Ų39.960%0.60325%0.252SS*.Hα-helixtrans-100.4-26.9-172.5-65.1-175.6-179.300113.4V312 R342V312-E316 VanDerWaalsContact CG1-CD 3.42Å; V312-E316 HydrophobicContact CG1-CG 4.01Å; V312-E316 WeakPolarHBondContact CG1-OE2 3.44Å; V312-E316 WeakPolarHBondContact O-CB 2.97Å; V312-E316 PolarHBondContact O-N 3.05Å; E316-R342 IonicContact OE2-CZ 3.18Å; E316-R342 IonicContact OE2-NH1 2.74Å; E316-R342 PolarHBondContact OE2-NH1 3.26Å; E316-R342 IonicContact OE2-NH2 3.78Å; E316-R342 PolarHBondContact OE2-NH2 3.01Å
317D97Very high97.5Very high13 Ų1340.1 Ų40.17%0.0725%0.253CS..  trans-106.233.4-176.9-50.4-23.9000111.1A313 A319 C320 T337 K338 R342A313-D317 WeakPolarHBondContact O-CA 3.2Å; A313-D317 VanDerWaalsContact O-CB 3.25Å; A313-D317 WeakPolarHBondContact O-CB 3.23Å; A313-D317 PolarHBondContact O-N 3.49Å; D317-A319 PolarHBondContact O-N 3.47Å; D317-A319 VanDerWaalsContact O-N 3.13Å; D317-C320 HydrophobicContact CB-CB 4.35Å; D317-C320 WeakPolarHBondContact O-CA 3.37Å; D317-C320 WeakPolarHBondContact O-CB 3.47Å; D317-C320 PolarHBondContact O-N 2.99Å; D317-T337 HydrophobicContact CB-CG2 3.96Å; D317-T337 WeakPolarHBondContact OD2-CB 3.35Å; D317-K338 WeakPolarHBondContact OD2-CB 3.49Å; D317-K338 PolarHBondContact OD2-N 3.36Å; D317-R342 IonicContact OD1-NH2 2.7Å; D317-R342 PolarHBondContact OD1-NH2 2.96Å; D317-R342 IonicContact OD2-NE 3.04Å
318A93Very high97.5Very high61 Ų6141 Ų4150%0.50426%0.256SS..G310 helixtrans-54.4-35.6-172.900000114.1C320 L321A318-C320 PolarHBondContact O-N 2.96Å; A318-L321 WeakPolarHBondContact O-CB 3.1Å; A318-L321 PolarHBondContact O-N 2.77Å
319A96Very high97.5Very high106 Ų10637.8 Ų37.888%0.87624%0.237SC*.G310 helixtrans-68.4-15.1176.800000113.9D317D317-A319 PolarHBondContact O-N 3.47Å; D317-A319 VanDerWaalsContact O-N 3.13Å
320C97.4Very high97.5Very high55 Ų5536.7 Ų36.737%0.37223%0.232SC..G310 helixtrans-101.3-2.2178.9-66.90000113.1D317 A318 K336 T337D317-C320 HydrophobicContact CB-CB 4.35Å; D317-C320 WeakPolarHBondContact O-CA 3.37Å; D317-C320 WeakPolarHBondContact O-CB 3.47Å; D317-C320 PolarHBondContact O-N 2.99Å; A318-C320 PolarHBondContact O-N 2.96Å; C320-K336 HydrophobicContact CB-CB 4.3Å; C320-K336 VanDerWaalsContact CB-O 3.26Å; C320-K336 WeakPolarHBondContact CB-O 3.4Å; C320-K336 PolarHBondContact SG-O 3.43Å; C320-T337 HydrophobicContact CB-CG2 3.79Å
321L98Very high97.4Very high18 Ų1836.7 Ų36.79%0.09423%0.232CC..SBendtrans-76.9166175.9-65.1-177.6000111.2Y76 L314 A318 A323 A333 F334 T337Y76-L321 HydrophobicContact CD2-CD1 4.36Å; Y76-L321 HydrophobicContact CE1-CB 4.17Å; Y76-L321 HydrophobicContact CE1-CD1 4.39Å; Y76-L321 HydrophobicContact CE2-CD1 4.07Å; L314-L321 HydrophobicContact CG-CD1 4.17Å; A318-L321 WeakPolarHBondContact O-CB 3.1Å; A318-L321 PolarHBondContact O-N 2.77Å; L321-A323 PolarHBondContact O-N 3.29Å; L321-A333 WeakPolarHBondContact CD2-O 3.46Å; L321-F334 HydrophobicContact CD2-CD1 4.04Å; L321-F334 HydrophobicContact CD2-CE1 4.05Å; L321-T337 HydrophobicContact CD2-CG2 3.96Å
322P98Very high97.4Very high6 Ų636.5 Ų36.54%0.03923%0.23CC..  trans-48.3137.1165.9-28.736.5000111.4Y76 Y191 Q324 Y328Y76-P322 HydrophobicContact CE1-CB 4.32Å; Y76-P322 PolarHBondContact OH-O 2.84Å; Y191-P322 HydrophobicContact CE2-CB 4.44Å; Y191-P322 HydrophobicContact CE2-CG 4.46Å; Y191-P322 VanDerWaalsContact OH-CB 3.27Å; Y191-P322 WeakPolarHBondContact OH-CB 3.37Å; Y191-P322 WeakPolarHBondContact OH-CG 3.49Å; P322-Q324 PolarHBondContact O-N 3.11Å; P322-Y328 HydrophobicContact CB-CD1 4.48Å; P322-Y328 HydrophobicContact CB-CE1 3.73Å; P322-Y328 HydrophobicContact CB-CE2 4.09Å; P322-Y328 WeakPolarHBondContact CB-OH 3.4Å; P322-Y328 HydrophobicContact CG-CD1 3.9Å; P322-Y328 HydrophobicContact CG-CD2 4.39Å; P322-Y328 HydrophobicContact CG-CE1 3.63Å; P322-Y328 HydrophobicContact CG-CE2 4.14Å; P322-Y328 HydrophobicContact CG-CG 4.28Å
323A95.1Very high97.4Very high114 Ų11434.9 Ų34.994%0.94222%0.221SC*.SBendtrans-59.9-23-173.800000113.7L321L321-A323 PolarHBondContact O-N 3.29Å
324Q96.3Very high97.4Very high116 Ų11634.9 Ų34.954%0.54222%0.221SC..SBendtrans-117.4153.1175.7-158.9170.616.500109.9A71 Y76 P322 Y328A71-Q324 HydrophobicContact CB-CG 3.84Å; Y76-Q324 VanDerWaalsContact CE1-O 3.25Å; Y76-Q324 WeakPolarHBondContact CE1-O 3.36Å; P322-Q324 PolarHBondContact O-N 3.11Å; Q324-Y328 PolarHBondContact O-OH 3.05Å
325G98Very high97.4Very high1 Ų135.1 Ų35.11%0.0122%0.223CC..  trans-60174.4163.100000111.4A71 V75 Y328A71-G325 VanDerWaalsContact CA-C 3.45Å; A71-G325 WeakPolarHBondContact CA-O 3.32Å; A71-G325 WeakPolarHBondContact CB-O 3.4Å; V75-G325 CarbonylContact O-C 3.41Å; V75-G325 WeakPolarHBondContact O-CA 3.49Å; G325-Y328 PolarHBondContact O-OH 3.35Å
326G98.3Very high97.4Very high0 Ų037.2 Ų37.20%023%0.229CC..EExtended strand (participates in β ladder)trans150.7-171.8-176.400000112.8V75 V77V75-G326 PolarHBondContact O-N 2.68Å; V77-G326 PolarHBondContact N-O 3.48Å
327V98.4Very high97.5Very high4 Ų432.1 Ų32.12%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-105.3120.1176.4-171.90000108.6Y63 N67 V77 R187Y63-V327 HydrophobicContact CD2-CB 4.14Å; N67-V327 HydrophobicContact CB-CB 4.38Å; N67-V327 HydrophobicContact CB-CG2 4.17Å; N67-V327 PolarHBondContact OD1-N 3.36Å; V77-V327 HydrophobicContact CB-CB 4.36Å; V77-V327 HydrophobicContact CB-CG1 4.2Å; V77-V327 HydrophobicContact CB-CG2 3.99Å; V77-V327 HydrophobicContact CG1-CG1 4.1Å; V77-V327 HydrophobicContact CG1-CG2 4.44Å; V77-V327 HydrophobicContact CG2-CG2 4.44Å; V77-V327 CarbonylContact O-C 3.43Å; V77-V327 VanDerWaalsContact O-CA 3.25Å; V77-V327 WeakPolarHBondContact O-CA 3.3Å; R187-V327 PolarHBondContact NH2-O 3.22Å
328Y98.3Very high97.5Very high24 Ų2437.5 Ų37.59%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-124.3156.9-173.1-62.6-80.5000113Y76 V77 I78 G79 Y191 P322 Q324 G325 A332 A333Y76-Y328 AromaticContact CD1-CD2 3.99Å; Y76-Y328 HydrophobicContact CD1-CD2 3.99Å; Y76-Y328 AromaticContact CD1-CE2 3.8Å; Y76-Y328 HydrophobicContact CD1-CE2 3.8Å; Y76-Y328 HydrophobicContact CE1-CE2 4.15Å; V77-Y328 PolarHBondContact O-N 2.97Å; I78-Y328 WeakPolarHBondContact CA-O 3.35Å; G79-Y328 PolarHBondContact N-O 3.13Å; Y191-Y328 HydrophobicContact CD2-CD1 4.26Å; Y191-Y328 AromaticContact CD2-CE1 3.96Å; Y191-Y328 HydrophobicContact CD2-CE1 3.96Å; Y191-Y328 HydrophobicContact CE2-CD1 4.21Å; Y191-Y328 AromaticContact CE2-CE1 3.6Å; Y191-Y328 HydrophobicContact CE2-CE1 3.6Å; P322-Y328 HydrophobicContact CB-CD1 4.48Å; P322-Y328 HydrophobicContact CB-CE1 3.73Å; P322-Y328 HydrophobicContact CB-CE2 4.09Å; P322-Y328 WeakPolarHBondContact CB-OH 3.4Å; P322-Y328 HydrophobicContact CG-CD1 3.9Å; P322-Y328 HydrophobicContact CG-CD2 4.39Å; P322-Y328 HydrophobicContact CG-CE1 3.63Å; P322-Y328 HydrophobicContact CG-CE2 4.14Å; P322-Y328 HydrophobicContact CG-CG 4.28Å; Q324-Y328 PolarHBondContact O-OH 3.05Å; G325-Y328 PolarHBondContact O-OH 3.35Å; Y328-A332 HydrophobicContact CD1-CB 4.08Å; Y328-A333 HydrophobicContact CG-CB 4.42Å
329S98Very high97.7Very high2 Ų234.6 Ų34.61%0.01421%0.206CC..  trans-85.7162.5158.744.50000110S188 G331 A332 A333S188-S329 WeakPolarHBondContact CA-OG 3.33Å; S188-S329 PolarHBondContact N-OG 2.9Å; S188-S329 VanDerWaalsContact OG-CB 3.26Å; S188-S329 WeakPolarHBondContact OG-CB 3.24Å; S188-S329 PolarHBondContact OG-OG 2.95Å; S329-G331 PolarHBondContact O-N 3.33Å; S329-A332 WeakPolarHBondContact O-CB 3.35Å; S329-A332 PolarHBondContact O-N 3.16Å; S329-A332 VanDerWaalsContact O-N 3.14Å; S329-A332 WeakPolarHBondContact OG-CB 3.32Å; S329-A333 PolarHBondContact O-N 2.72Å
330P98.3Very high97.9Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-58.2-46.4-177.1-24.535.4000112.5G79 S80 I86 A332 A333 F334G79-P330 VanDerWaalsContact O-CD 3.27Å; G79-P330 WeakPolarHBondContact O-CD 3.26Å; G79-P330 WeakPolarHBondContact O-CG 3.35Å; S80-P330 WeakPolarHBondContact O-CG 3.38Å; I86-P330 HydrophobicContact CG1-CB 3.9Å; I86-P330 HydrophobicContact CG1-CG 4.13Å; P330-A332 VanDerWaalsContact C-N 3.31Å; P330-A332 PolarHBondContact O-N 2.91Å; P330-A333 PolarHBondContact O-N 2.89Å; P330-F334 HydrophobicContact CB-CD2 4.19Å; P330-F334 VanDerWaalsContact O-CB 3.28Å; P330-F334 WeakPolarHBondContact O-CB 3.44Å; P330-F334 VanDerWaalsContact O-CD2 3.29Å; P330-F334 WeakPolarHBondContact O-CD2 3.18Å; P330-F334 PolarHBondContact O-N 2.85Å
331G98.1Very high97.9Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-66.9-29.8178.900000113.4D89 S188 S329 S335D89-G331 WeakPolarHBondContact OD2-CA 3.38Å; D89-G331 PolarHBondContact OD2-N 3.13Å; S188-G331 WeakPolarHBondContact OG-CA 3.34Å; S188-G331 PolarHBondContact OG-N 2.92Å; S329-G331 PolarHBondContact O-N 3.33Å; G331-S335 WeakPolarHBondContact O-CB 3.48Å; G331-S335 PolarHBondContact O-N 3.48Å; G331-S335 PolarHBondContact O-OG 2.94Å
332A97.9Very high97.9Very high3 Ų333.7 Ų33.73%0.02518%0.179CC..Hα-helixtrans-69-46.7172.600000111.4S188 Y191 Y328 S329 P330S188-A332 PolarHBondContact OG-N 3.31Å; Y191-A332 HydrophobicContact CD1-CB 3.61Å; Y191-A332 HydrophobicContact CD2-CB 4.34Å; Y191-A332 HydrophobicContact CE1-CB 4.37Å; Y191-A332 VanDerWaalsContact CE1-O 3.31Å; Y191-A332 WeakPolarHBondContact CE1-O 3.36Å; Y191-A332 HydrophobicContact CG-CB 3.6Å; Y328-A332 HydrophobicContact CD1-CB 4.08Å; S329-A332 WeakPolarHBondContact O-CB 3.35Å; S329-A332 PolarHBondContact O-N 3.16Å; S329-A332 VanDerWaalsContact O-N 3.14Å; S329-A332 WeakPolarHBondContact OG-CB 3.32Å; P330-A332 VanDerWaalsContact C-N 3.31Å; P330-A332 PolarHBondContact O-N 2.91Å
333A98.5Very high98Very high1 Ų133.4 Ų33.41%0.00818%0.177CC..Hα-helixtrans-74.7-36.2-176.600000113.5I78 L321 Y328 S329 P330I78-A333 HydrophobicContact CD1-CB 3.55Å; I78-A333 HydrophobicContact CG1-CB 4.1Å; I78-A333 HydrophobicContact CG2-CB 4.14Å; L321-A333 WeakPolarHBondContact CD2-O 3.46Å; Y328-A333 HydrophobicContact CG-CB 4.42Å; S329-A333 PolarHBondContact O-N 2.72Å; P330-A333 PolarHBondContact O-N 2.89Å
334F98.6Very high98.1Very high1 Ų130.4 Ų30.40%0.00415%0.146CC..Hα-helixtrans-1137.3-166.1-56.9-54.6000114.4I50 I78 M90 A310 A313 L314 L321 P330 K336 T337 L339I50-F334 HydrophobicContact CD1-CZ 4.43Å; I78-F334 HydrophobicContact CD1-CE1 3.84Å; I78-F334 HydrophobicContact CD1-CE2 3.84Å; I78-F334 HydrophobicContact CD1-CZ 3.3Å; I78-F334 HydrophobicContact CG2-CE2 3.96Å; I78-F334 HydrophobicContact CG2-CZ 4.47Å; M90-F334 HydrophobicContact CE-CB 4.2Å; M90-F334 HydrophobicContact SD-CB 4.29Å; A310-F334 HydrophobicContact CB-CE2 3.7Å; A310-F334 HydrophobicContact CB-CZ 3.86Å; A310-F334 WeakPolarHBondContact O-CZ 3.5Å; A313-F334 HydrophobicContact CB-CD1 4.05Å; A313-F334 HydrophobicContact CB-CE1 4.02Å; L314-F334 HydrophobicContact CB-CE1 4.19Å; L314-F334 HydrophobicContact CB-CZ 4.48Å; L321-F334 HydrophobicContact CD2-CD1 4.04Å; L321-F334 HydrophobicContact CD2-CE1 4.05Å; P330-F334 HydrophobicContact CB-CD2 4.19Å; P330-F334 VanDerWaalsContact O-CB 3.28Å; P330-F334 WeakPolarHBondContact O-CB 3.44Å; P330-F334 VanDerWaalsContact O-CD2 3.29Å; P330-F334 WeakPolarHBondContact O-CD2 3.18Å; P330-F334 PolarHBondContact O-N 2.85Å; F334-K336 PolarHBondContact O-N 2.87Å; F334-K336 VanDerWaalsContact O-N 3.12Å; F334-T337 HydrophobicContact CB-CG2 4.44Å; F334-T337 WeakPolarHBondContact CB-OG1 3.48Å; F334-T337 HydrophobicContact CD1-CG2 4.02Å; F334-T337 PolarHBondContact O-N 3.33Å; F334-T337 VanDerWaalsContact O-N 3.13Å; F334-T337 PolarHBondContact O-OG1 3.32Å; F334-T337 VanDerWaalsContact O-OG1 3.06Å; F334-L339 HydrophobicContact CB-CB 4.15Å; F334-L339 HydrophobicContact CB-CD2 3.7Å; F334-L339 HydrophobicContact CD2-CD2 3.52Å; F334-L339 HydrophobicContact CE2-CD2 4.26Å; F334-L339 HydrophobicContact CG-CD2 3.71Å
335S97.7Very high98.2Very high17 Ų1733.1 Ų33.112%0.11916%0.156CC..THydrogen-bonded Turntrans-59.2-24.6-178.550.80000115.1L192 G331L192-S335 WeakPolarHBondContact CD2-OG 3.4Å; G331-S335 WeakPolarHBondContact O-CB 3.48Å; G331-S335 PolarHBondContact O-N 3.48Å; G331-S335 PolarHBondContact O-OG 2.94Å
336K97.5Very high98.2Very high110 Ų11040.5 Ų40.548%0.47818%0.183SC..THydrogen-bonded Turntrans-111.75.4179.4-54.9-61.9178.5-174.60113.2E198 C320 F334E198-K336 WeakPolarHBondContact OE1-CE 3.38Å; E198-K336 IonicContact OE1-NZ 2.68Å; E198-K336 PolarHBondContact OE1-NZ 3.38Å; C320-K336 HydrophobicContact CB-CB 4.3Å; C320-K336 VanDerWaalsContact CB-O 3.26Å; C320-K336 WeakPolarHBondContact CB-O 3.4Å; C320-K336 PolarHBondContact SG-O 3.43Å; F334-K336 PolarHBondContact O-N 2.87Å; F334-K336 VanDerWaalsContact O-N 3.12Å
337T98.3Very high98.1Very high22 Ų2242 Ų4214%0.13520%0.199CC..SBendtrans-94.7177.6-177.873.70000111.7D317 C320 L321 F334 L339D317-T337 HydrophobicContact CB-CG2 3.96Å; D317-T337 WeakPolarHBondContact OD2-CB 3.35Å; C320-T337 HydrophobicContact CB-CG2 3.79Å; L321-T337 HydrophobicContact CD2-CG2 3.96Å; F334-T337 HydrophobicContact CB-CG2 4.44Å; F334-T337 WeakPolarHBondContact CB-OG1 3.48Å; F334-T337 HydrophobicContact CD1-CG2 4.02Å; F334-T337 PolarHBondContact O-N 3.33Å; F334-T337 VanDerWaalsContact O-N 3.13Å; F334-T337 PolarHBondContact O-OG1 3.32Å; F334-T337 VanDerWaalsContact O-OG1 3.06Å; T337-L339 PolarHBondContact O-N 2.62Å; T337-L339 PolarHBondContact OG1-N 3.41Å
338K97.6Very high98.1Very high126 Ų12641.9 Ų41.955%0.54820%0.198SC..SBendtrans-88.119.6177.5-61.4176.9-178.2170.30112.4D317 I340 D341 R342D317-K338 WeakPolarHBondContact OD2-CB 3.49Å; D317-K338 PolarHBondContact OD2-N 3.36Å; K338-I340 PolarHBondContact O-N 3.28Å; K338-D341 PolarHBondContact O-N 3.38Å; K338-R342 WeakPolarHBondContact O-CG 3.19Å; K338-R342 PolarHBondContact O-N 2.92Å
339L98.6Very high98.1Very high0 Ų046.1 Ų46.10%022%0.219CC..Hα-helixtrans-56.6-48-175-179.957.9000111.5I86 M90 Q309 A310 A313 F334 T337 D341 R342 L343I86-L339 HydrophobicContact CD1-CD2 4.43Å; M90-L339 HydrophobicContact CE-CB 4.27Å; M90-L339 HydrophobicContact CE-CD2 4.19Å; M90-L339 HydrophobicContact CE-CG 4.49Å; M90-L339 HydrophobicContact CG-CD2 4.21Å; M90-L339 HydrophobicContact SD-CD2 4.09Å; Q309-L339 VanDerWaalsContact C-CD1 3.49Å; Q309-L339 HydrophobicContact CB-CD1 3.8Å; A310-L339 HydrophobicContact CB-CD1 4.43Å; A313-L339 HydrophobicContact CB-CB 4.25Å; A313-L339 HydrophobicContact CB-CD1 4.36Å; F334-L339 HydrophobicContact CB-CB 4.15Å; F334-L339 HydrophobicContact CB-CD2 3.7Å; F334-L339 HydrophobicContact CD2-CD2 3.52Å; F334-L339 HydrophobicContact CE2-CD2 4.26Å; F334-L339 HydrophobicContact CG-CD2 3.71Å; T337-L339 PolarHBondContact O-N 2.62Å; T337-L339 PolarHBondContact OG1-N 3.41Å; L339-D341 VanDerWaalsContact C-N 3.32Å; L339-D341 PolarHBondContact O-N 2.95Å; L339-R342 WeakPolarHBondContact O-CB 3.42Å; L339-R342 PolarHBondContact O-N 3.37Å; L339-R342 VanDerWaalsContact O-N 3.09Å; L339-L343 HydrophobicContact CD1-CD1 4.23Å; L339-L343 HydrophobicContact CD1-CD2 4.04Å; L339-L343 HydrophobicContact CD1-CG 3.99Å; L339-L343 HydrophobicContact CG-CD1 3.95Å; L339-L343 HydrophobicContact CG-CG 4.2Å; L339-L343 VanDerWaalsContact O-CG 3.24Å; L339-L343 WeakPolarHBondContact O-CG 3.28Å; L339-L343 PolarHBondContact O-N 3.36Å
340I98.6Very high98.1Very high24 Ų2446.6 Ų46.612%0.12322%0.221CC..Hα-helixtrans-57.2-44.9178.5-68.5170.1000111.5M90 Y94 K338 R342 L343 N344 F350M90-I340 HydrophobicContact CB-CD1 4.42Å; M90-I340 HydrophobicContact CB-CG1 4.12Å; M90-I340 HydrophobicContact CE-CD1 4.02Å; M90-I340 HydrophobicContact CE-CG1 3.78Å; Y94-I340 HydrophobicContact CD2-CD1 4.36Å; Y94-I340 HydrophobicContact CD2-CG2 4.06Å; K338-I340 PolarHBondContact O-N 3.28Å; I340-R342 VanDerWaalsContact C-N 3.3Å; I340-R342 PolarHBondContact O-N 3.1Å; I340-L343 PolarHBondContact O-N 3.4Å; I340-N344 PolarHBondContact O-N 3.36Å; I340-N344 PolarHBondContact O-ND2 3.03Å; I340-F350 HydrophobicContact CG1-CE1 4.37Å; I340-F350 HydrophobicContact CG1-CZ 4.48Å; I340-F350 HydrophobicContact CG2-CB 4.17Å; I340-F350 HydrophobicContact CG2-CD1 4.23Å; I340-F350 HydrophobicContact CG2-CD2 3.98Å; I340-F350 HydrophobicContact CG2-CE2 4.47Å; I340-F350 HydrophobicContact CG2-CG 3.88Å
341D98.3Very high98.1Very high92 Ų9248.5 Ų48.549%0.49223%0.234SC..Hα-helixtrans-63-37.2178.3-65.1-24.1000112.2K338 L339 K345K338-D341 PolarHBondContact O-N 3.38Å; L339-D341 VanDerWaalsContact C-N 3.32Å; L339-D341 PolarHBondContact O-N 2.95Å; D341-K345 WeakPolarHBondContact O-CG 3.33Å; D341-K345 PolarHBondContact O-N 3.38Å
342R98.4Very high98.1Very high44 Ų4451.2 Ų51.217%0.16625%0.25CS..Hα-helixtrans-67.9-42.6176-69.4175-170.6-81.52.8111.7Q309 E316 D317 K338 L339 I340 K345 R346Q309-R342 HydrophobicContact CB-CB 4.16Å; Q309-R342 HydrophobicContact CG-CB 4.14Å; E316-R342 IonicContact OE2-CZ 3.18Å; E316-R342 IonicContact OE2-NH1 2.74Å; E316-R342 PolarHBondContact OE2-NH1 3.26Å; E316-R342 IonicContact OE2-NH2 3.78Å; E316-R342 PolarHBondContact OE2-NH2 3.01Å; D317-R342 IonicContact OD1-NH2 2.7Å; D317-R342 PolarHBondContact OD1-NH2 2.96Å; D317-R342 IonicContact OD2-NE 3.04Å; K338-R342 WeakPolarHBondContact O-CG 3.19Å; K338-R342 PolarHBondContact O-N 2.92Å; L339-R342 WeakPolarHBondContact O-CB 3.42Å; L339-R342 PolarHBondContact O-N 3.37Å; L339-R342 VanDerWaalsContact O-N 3.09Å; I340-R342 VanDerWaalsContact C-N 3.3Å; I340-R342 PolarHBondContact O-N 3.1Å; R342-K345 PolarHBondContact O-N 3.31Å; R342-R346 WeakPolarHBondContact O-CG 3.26Å; R342-R346 PolarHBondContact O-N 2.91Å
343L98.6Very high97.9Very high0 Ų055.3 Ų55.30%027%0.271CS..Hα-helixtrans-63.2-44.3176.7-61.5171.7000110.9I86 A306 Q309 L339 I340 K345 R346 G347 M348 F350I86-L343 HydrophobicContact CG2-CD1 3.64Å; I86-L343 HydrophobicContact CG2-CD2 4.45Å; A306-L343 HydrophobicContact CB-CD2 4.48Å; Q309-L343 HydrophobicContact CB-CD2 3.76Å; Q309-L343 HydrophobicContact CG-CD2 4.07Å; L339-L343 HydrophobicContact CD1-CD1 4.23Å; L339-L343 HydrophobicContact CD1-CD2 4.04Å; L339-L343 HydrophobicContact CD1-CG 3.99Å; L339-L343 HydrophobicContact CG-CD1 3.95Å; L339-L343 HydrophobicContact CG-CG 4.2Å; L339-L343 VanDerWaalsContact O-CG 3.24Å; L339-L343 WeakPolarHBondContact O-CG 3.28Å; L339-L343 PolarHBondContact O-N 3.36Å; I340-L343 PolarHBondContact O-N 3.4Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.21Å; L343-R346 CarbonylContact O-C 3.58Å; L343-R346 WeakPolarHBondContact O-CA 3.2Å; L343-R346 PolarHBondContact O-N 3.43Å; L343-G347 PolarHBondContact O-N 3.15Å; L343-M348 CarbonylContact C-O 3.59Å; L343-M348 HydrophobicContact CB-CB 4.05Å; L343-M348 HydrophobicContact CB-CE 4.24Å; L343-M348 HydrophobicContact CD2-CE 3.23Å; L343-M348 HydrophobicContact CG-CE 4.17Å; L343-M348 PolarHBondContact O-N 2.91Å; L343-F350 HydrophobicContact CB-CE2 4Å; L343-F350 HydrophobicContact CD1-CE2 3.89Å; L343-F350 HydrophobicContact CD1-CZ 4.02Å
344N98.4Very high97.2Very high51 Ų5157.5 Ų57.527%0.27329%0.286SS..Hα-helixtrans-54.5-47.2175.1-80.3-36.4000111.8I340 R346 G347 M348 E349 F350I340-N344 PolarHBondContact O-N 3.36Å; I340-N344 PolarHBondContact O-ND2 3.03Å; N344-R346 PolarHBondContact O-N 3.08Å; N344-R346 VanDerWaalsContact O-N 3.1Å; N344-G347 PolarHBondContact O-N 2.99Å; N344-M348 VanDerWaalsContact CA-O 3.28Å; N344-M348 WeakPolarHBondContact CA-O 3.21Å; N344-M348 PolarHBondContact N-O 2.81Å; N344-M348 PolarHBondContact OD1-O 3.46Å; N344-E349 WeakPolarHBondContact OD1-CA 3.31Å; N344-F350 PolarHBondContact OD1-N 3.3Å
345K98.2Very high95.7Very high173 Ų17365.8 Ų65.875%0.75232%0.322SS*.THydrogen-bonded Turntrans-66.2-10.3178.3-71.2173.7-177.1178.60114.2D341 R342 L343D341-K345 WeakPolarHBondContact O-CG 3.33Å; D341-K345 PolarHBondContact O-N 3.38Å; R342-K345 PolarHBondContact O-N 3.31Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.21Å
346R98Very high94Very high156 Ų15667 Ų6759%0.58933%0.329SS*.THydrogen-bonded Turntrans-120.422-177.1-60.6-62.7-174.2178.40.2112.6I305 Q309 R342 L343 N344I305-R346 HydrophobicContact CG2-CB 3.5Å; I305-R346 HydrophobicContact CG2-CG 4.41Å; Q309-R346 HydrophobicContact CG-CG 4.22Å; R342-R346 WeakPolarHBondContact O-CG 3.26Å; R342-R346 PolarHBondContact O-N 2.91Å; L343-R346 CarbonylContact O-C 3.58Å; L343-R346 WeakPolarHBondContact O-CA 3.2Å; L343-R346 PolarHBondContact O-N 3.43Å; N344-R346 PolarHBondContact O-N 3.08Å; N344-R346 VanDerWaalsContact O-N 3.1Å
347G96.1Very high92.2Very high33 Ų3368.3 Ų68.334%0.3434%0.338SS..THydrogen-bonded Turntrans83.514.2171.200000115.1G295 P296 L343 N344G295-G347 WeakPolarHBondContact CA-O 3.45Å; P296-G347 WeakPolarHBondContact CD-O 3.26Å; L343-G347 PolarHBondContact O-N 3.15Å; N344-G347 PolarHBondContact O-N 2.99Å
348M98.2Very high90Very high1 Ų174.6 Ų74.61%0.00538%0.376CS..  trans-107.194.9162.5-79.9-171.5-69.500109.2F265 K294 A302 I305 A306 L343 N344 F350F265-M348 HydrophobicContact CZ-CG 4.31Å; F265-M348 HydrophobicContact CZ-SD 4.37Å; K294-M348 CarbonylContact O-C 3.54Å; K294-M348 VanDerWaalsContact O-CA 3.26Å; K294-M348 WeakPolarHBondContact O-CA 3.46Å; A302-M348 HydrophobicContact CB-SD 4.04Å; I305-M348 HydrophobicContact CB-CE 3.97Å; I305-M348 HydrophobicContact CG2-CE 3.54Å; A306-M348 HydrophobicContact CB-CE 3.84Å; A306-M348 HydrophobicContact CB-SD 4.49Å; L343-M348 CarbonylContact C-O 3.59Å; L343-M348 HydrophobicContact CB-CB 4.05Å; L343-M348 HydrophobicContact CB-CE 4.24Å; L343-M348 HydrophobicContact CD2-CE 3.23Å; L343-M348 HydrophobicContact CG-CE 4.17Å; L343-M348 PolarHBondContact O-N 2.91Å; N344-M348 VanDerWaalsContact CA-O 3.28Å; N344-M348 WeakPolarHBondContact CA-O 3.21Å; N344-M348 PolarHBondContact N-O 2.81Å; N344-M348 PolarHBondContact OD1-O 3.46Å; M348-F350 WeakPolarHBondContact O-CD2 3.4Å
349E98.4Very high89.6Confident112 Ų11272.1 Ų72.152%0.52337%0.367SS..EExtended strand (participates in β ladder)trans-93.9122.5-165.5-63.3177.6-178.500112.1V293 K294 N344V293-E349 CarbonylContact C-O 3.5Å; V293-E349 VanDerWaalsContact CA-O 3.26Å; V293-E349 WeakPolarHBondContact CA-O 3.2Å; K294-E349 PolarHBondContact N-O 2.7Å; K294-E349 PolarHBondContact O-N 3.2Å; N344-E349 WeakPolarHBondContact OD1-CA 3.31Å
350F98.6Very high89.1Confident13 Ų1375.8 Ų75.86%0.05739%0.386CS..EExtended strand (participates in β ladder)trans-101120.8175.4-67.5-110.8000109.6M90 Y94 Q292 V293 I340 L343 N344 M348M90-F350 HydrophobicContact CB-CE1 3.97Å; M90-F350 HydrophobicContact CB-CZ 4.01Å; Y94-F350 HydrophobicContact CD1-CB 4.22Å; Y94-F350 HydrophobicContact CD1-CD1 4.35Å; Y94-F350 HydrophobicContact CD2-CB 3.76Å; Y94-F350 HydrophobicContact CD2-CD1 4.1Å; Y94-F350 HydrophobicContact CD2-CG 4.29Å; Y94-F350 HydrophobicContact CE1-CB 4.15Å; Y94-F350 HydrophobicContact CE2-CB 3.62Å; Y94-F350 HydrophobicContact CG-CB 4.03Å; Y94-F350 AromaticContact CG-CD1 3.83Å; Y94-F350 HydrophobicContact CG-CD1 3.83Å; Y94-F350 HydrophobicContact CG-CG 4.39Å; Y94-F350 PolarHBondContact OH-O 3.37Å; Y94-F350 VanDerWaalsContact OH-O 3.07Å; Q292-F350 WeakPolarHBondContact O-CA 3.33Å; V293-F350 HydrophobicContact CB-CE1 4.5Å; V293-F350 HydrophobicContact CG1-CD2 4.39Å; V293-F350 HydrophobicContact CG1-CE1 4.28Å; V293-F350 HydrophobicContact CG1-CE2 4.02Å; V293-F350 HydrophobicContact CG1-CZ 3.96Å; V293-F350 HydrophobicContact CG2-CD1 3.44Å; V293-F350 VanDerWaalsContact CG2-CD1 3.44Å; V293-F350 HydrophobicContact CG2-CE1 3.38Å; V293-F350 HydrophobicContact CG2-CE2 4.47Å; V293-F350 HydrophobicContact CG2-CG 4.03Å; V293-F350 HydrophobicContact CG2-CZ 3.93Å; I340-F350 HydrophobicContact CG1-CE1 4.37Å; I340-F350 HydrophobicContact CG1-CZ 4.48Å; I340-F350 HydrophobicContact CG2-CB 4.17Å; I340-F350 HydrophobicContact CG2-CD1 4.23Å; I340-F350 HydrophobicContact CG2-CD2 3.98Å; I340-F350 HydrophobicContact CG2-CE2 4.47Å; I340-F350 HydrophobicContact CG2-CG 3.88Å; L343-F350 HydrophobicContact CB-CE2 4Å; L343-F350 HydrophobicContact CD1-CE2 3.89Å; L343-F350 HydrophobicContact CD1-CZ 4.02Å; N344-F350 PolarHBondContact OD1-N 3.3Å; M348-F350 WeakPolarHBondContact O-CD2 3.4Å
351S98.3Very high88.6Confident39 Ų3978.7 Ų78.727%0.27340%0.401SS..EExtended strand (participates in β ladder)trans-141.1155.7-175.259.30000112.9Y94 T291 Q292Y94-S351 WeakPolarHBondContact OH-CA 3.46Å; T291-S351 CarbonylContact C-O 3.47Å; T291-S351 VanDerWaalsContact CA-O 3.23Å; T291-S351 WeakPolarHBondContact CA-O 3.44Å; T291-S351 VanDerWaalsContact CB-O 3.31Å; T291-S351 WeakPolarHBondContact CB-O 2.98Å; Q292-S351 PolarHBondContact N-O 2.94Å; Q292-S351 PolarHBondContact O-N 3.21Å
352V97.6Very high88Confident57 Ų5777.9 Ų77.935%0.34540%0.396SS..EExtended strand (participates in β ladder)trans-92.9124.6169.5-179.30000108.1Y94 K98 I289 T291 S354Y94-V352 HydrophobicContact CE1-CG2 4.3Å; K98-V352 HydrophobicContact CB-CG2 3.97Å; K98-V352 HydrophobicContact CD-CG2 4.32Å; K98-V352 HydrophobicContact CG-CG2 3.83Å; I289-V352 HydrophobicContact CG1-CG1 4.45Å; T291-V352 HydrophobicContact CG2-CG2 4.3Å; V352-S354 WeakPolarHBondContact CG1-O 3.27Å
353I93.5Very high87.4Confident90 Ų9080.1 Ų80.146%0.46241%0.41SS..EExtended strand (participates in β ladder)trans-96.2-41.6-177.9-56.7-56.4000111.4C290 Q292C290-I353 HydrophobicContact CB-CB 4.38Å; C290-I353 PolarHBondContact O-N 3.28Å; Q292-I353 HydrophobicContact CB-CD1 3.84Å; Q292-I353 HydrophobicContact CB-CG1 3.53Å
354S83.2Confident86.6Confident47 Ų4785.4 Ų85.433%0.32944%0.437SS..EExtended strand (participates in β ladder)trans-129.3133167.9670000109.6C290 V352C290-S354 WeakPolarHBondContact CB-OG 3.29Å; C290-S354 PolarHBondContact N-O 3.31Å; C290-S354 PolarHBondContact N-OG 3.09Å; C290-S354 PolarHBondContact O-N 3.39Å; V352-S354 WeakPolarHBondContact CG1-O 3.27Å
355K67.2Low85.8Confident174 Ų17487.9 Ų87.976%0.75745%0.449SS*.EExtended strand (participates in β ladder)trans-69.6159.1179.8-73.1-176.9-179.6176.30110.3E357K355-E357 PolarHBondContact O-N 3.24Å
356P62.5Low84.8Confident42 Ų4281.3 Ų81.327%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-49.1113173.9-27.735.5000111.8V287 K288 I289V287-P356 HydrophobicContact CG1-CB 3.82Å; K288-P356 VanDerWaalsContact O-CA 3.26Å; K288-P356 WeakPolarHBondContact O-CA 3.45Å; I289-P356 HydrophobicContact CD1-CG 4.48Å
357E60.4Low83.7Confident139 Ų13975.1 Ų75.165%0.6541%0.412SS*.EExtended strand (participates in β ladder)trans-83.9121.6164.9-68.7176.9-172.400106.4V287 K288 K355V287-E357 WeakPolarHBondContact CA-O 3.43Å; K288-E357 PolarHBondContact N-O 3.35Å; K288-E357 PolarHBondContact O-N 2.84Å; K355-E357 PolarHBondContact O-N 3.24Å
358V50.8Low82.6Confident154 Ų15478.9 Ų78.993%0.93342%0.419SS*.  trans-98.10178.2179.90000109.7V287V287-V358 HydrophobicContact CG2-CG2 4.46Å

Retrieved 358 of 358 residues in 130.2 ms (Link to these results)

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