A0A087YRS3_POEFO Loading...

SUMO peptidase family member, NEDD8 specific

AlphaFold DB , UniProt , Accession A0A087YRS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 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
1M84.1Confident95Very high241 Ų24180.7 Ų80.7100%1.18744%0.439SS*.  0144.10-72.5-171.5-111.300107.9P3M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.45Å
2D94.8Very high95.2Very high60 Ų6079.5 Ų79.532%0.32143%0.431SS..  trans-106.988.8179.5-175.725.7000110.1R14 R15 S16D2-R14 PolarHBondContact O-NH1 3.36Å; D2-R14 WeakPolarHBondContact OD2-CB 3.47Å; D2-R14 WeakPolarHBondContact OD2-CD 3.49Å; D2-R15 WeakPolarHBondContact OD1-CB 3.02Å; D2-R15 PolarHBondContact OD1-N 3.37Å; D2-S16 PolarHBondContact OD1-N 2.89Å; D2-S16 PolarHBondContact OD1-OG 3.42Å; D2-S16 VanDerWaalsContact OD2-CB 3.3Å; D2-S16 WeakPolarHBondContact OD2-CB 3.42Å; D2-S16 PolarHBondContact OD2-OG 3.39Å
3P97.1Very high95.4Very high49 Ų4973.5 Ų73.532%0.31840%0.398SS..  trans-71.8154.1-171.830.8-35.4000111.6M1 R14 R15M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.45Å; P3-R14 CarbonylContact O-C 3.56Å; P3-R14 VanDerWaalsContact O-CA 3.3Å; P3-R14 WeakPolarHBondContact O-CA 3.42Å; P3-R15 HydrophobicContact CG-CB 4.13Å; P3-R15 PolarHBondContact O-N 3.08Å
4V97.7Very high95.7Very high73 Ų7375.1 Ų75.144%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-64.7133.7167.5177.30000108.7L12V4-L12 HydrophobicContact CB-CD1 4.49Å; V4-L12 HydrophobicContact CG1-CD1 3.57Å; V4-L12 HydrophobicContact CG1-CG 4.37Å; V4-L12 HydrophobicContact CG2-CD1 4.06Å; V4-L12 HydrophobicContact CG2-CD2 4.33Å; V4-L12 HydrophobicContact CG2-CG 4.38Å
5V97.6Very high95.8Very high47 Ų4780 Ų8029%0.28541%0.407SS..EExtended strand (participates in β ladder)trans-103-43173174.10000110.4L13 R15 V18 I206 A210V5-L13 PolarHBondContact N-O 3.12Å; V5-R15 HydrophobicContact CG2-CB 4.04Å; V5-V18 HydrophobicContact CB-CG2 4.1Å; V5-V18 HydrophobicContact CG1-CG2 4.03Å; V5-V18 HydrophobicContact CG2-CG2 4.38Å; V5-I206 HydrophobicContact CG1-CG2 4.07Å; V5-A210 HydrophobicContact CG1-CB 4.48Å; V5-A210 WeakPolarHBondContact O-CB 3.44Å
6L97.9Very high95.9Very high10 Ų1078.5 Ų78.55%0.05241%0.406CS..EExtended strand (participates in β ladder)trans-142.1135.6-178.2-18065.5000110.5L12 L13 F34 I206 L209 A210L6-L12 CarbonylContact O-C 3.57Å; L6-L12 WeakPolarHBondContact O-CA 3.44Å; L6-L13 HydrophobicContact CB-CB 4.24Å; L6-L13 HydrophobicContact CD2-CD1 4.28Å; L6-L13 PolarHBondContact N-O 3.04Å; L6-L13 PolarHBondContact O-N 3.27Å; L6-F34 HydrophobicContact CD2-CD2 4.01Å; L6-F34 HydrophobicContact CD2-CE2 3.45Å; L6-F34 VanDerWaalsContact CD2-CE2 3.45Å; L6-F34 HydrophobicContact CD2-CZ 3.84Å; L6-I206 HydrophobicContact CB-CG2 4.22Å; L6-I206 HydrophobicContact CD2-CG1 4.5Å; L6-I206 HydrophobicContact CD2-CG2 4.14Å; L6-L209 HydrophobicContact CD1-CB 3.9Å; L6-L209 HydrophobicContact CD2-CB 4.3Å; L6-L209 HydrophobicContact CD2-CD1 4.42Å; L6-A210 HydrophobicContact CD1-CB 4.39Å
7S97.1Very high96.1Very high92 Ų9274.8 Ų74.864%0.64339%0.387SS*.EExtended strand (participates in β ladder)trans-117.5110.6164.5-171.30000107
8Y96.3Very high96.1Very high32 Ų3271.3 Ų71.313%0.12537%0.37CS..EExtended strand (participates in β ladder)trans-135.7111.6-174.1-174.9-82.6000109.8D10 S11 F34 E37 E42 L209Y8-D10 PolarHBondContact O-N 3.43Å; Y8-S11 PolarHBondContact N-O 2.98Å; Y8-S11 WeakPolarHBondContact O-CA 3.47Å; Y8-S11 WeakPolarHBondContact O-CB 3.33Å; Y8-S11 PolarHBondContact O-N 2.56Å; Y8-F34 HydrophobicContact CD1-CD2 4.39Å; Y8-F34 HydrophobicContact CD1-CE2 4.16Å; Y8-F34 HydrophobicContact CG-CD2 4.48Å; Y8-F34 HydrophobicContact CG-CE2 4.05Å; Y8-E37 HydrophobicContact CD1-CB 4.47Å; Y8-E42 WeakPolarHBondContact OH-CB 3.12Å; Y8-E42 PolarHBondContact OH-OE2 3.43Å; Y8-L209 HydrophobicContact CD2-CD1 4.25Å; Y8-L209 HydrophobicContact CE2-CD1 4.21Å; Y8-L209 HydrophobicContact CE2-CD2 4.43Å
9Q94.3Very high96.2Very high123 Ų12369.8 Ų69.858%0.57537%0.366SS*.THydrogen-bonded Turntrans49.6-124.7-172.6-53-61.8-10.200110.3S11 E37Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-E37 WeakPolarHBondContact CB-OE2 3.46Å
10D92.4Very high96.3Very high152 Ų15268.3 Ų68.381%0.81336%0.358SS*.THydrogen-bonded Turntrans-84.91.2178.2-64.4-39.6000113.8Y8Y8-D10 PolarHBondContact O-N 3.43Å
11S95.9Very high96.4Very high9 Ų965.1 Ų65.16%0.06334%0.341CS..EExtended strand (participates in β ladder)trans-99.2133.5179.6-63.80000112.5Y8 Q9 F34 E37Y8-S11 PolarHBondContact N-O 2.98Å; Y8-S11 WeakPolarHBondContact O-CA 3.47Å; Y8-S11 WeakPolarHBondContact O-CB 3.33Å; Y8-S11 PolarHBondContact O-N 2.56Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; S11-F34 WeakPolarHBondContact OG-CA 3.43Å; S11-F34 PolarHBondContact OG-N 3.14Å; S11-E37 WeakPolarHBondContact OG-CG 3.44Å
12L97.4Very high96.8Very high66 Ų6660.3 Ų60.335%0.34632%0.316SS..EExtended strand (participates in β ladder)trans-125.9104.6175.5-174.477.1000110V4 L6V4-L12 HydrophobicContact CB-CD1 4.49Å; V4-L12 HydrophobicContact CG1-CD1 3.57Å; V4-L12 HydrophobicContact CG1-CG 4.37Å; V4-L12 HydrophobicContact CG2-CD1 4.06Å; V4-L12 HydrophobicContact CG2-CD2 4.33Å; V4-L12 HydrophobicContact CG2-CG 4.38Å; L6-L12 CarbonylContact O-C 3.57Å; L6-L12 WeakPolarHBondContact O-CA 3.44Å
13L98.3Very high96.4Very high1 Ų158.4 Ų58.41%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-94.3127.7177.7-56.3-176.2000110.9V5 L6 D17 V18 Q30 F34 I206V5-L13 PolarHBondContact N-O 3.12Å; L6-L13 HydrophobicContact CB-CB 4.24Å; L6-L13 HydrophobicContact CD2-CD1 4.28Å; L6-L13 PolarHBondContact N-O 3.04Å; L6-L13 PolarHBondContact O-N 3.27Å; L13-D17 HydrophobicContact CD2-CB 4.26Å; L13-V18 HydrophobicContact CB-CG2 4.09Å; L13-V18 HydrophobicContact CD1-CG2 4.35Å; L13-Q30 HydrophobicContact CD2-CB 3.95Å; L13-Q30 WeakPolarHBondContact CD2-O 3.23Å; L13-F34 HydrophobicContact CD1-CB 4.06Å; L13-F34 HydrophobicContact CD1-CD1 3.86Å; L13-F34 HydrophobicContact CD1-CD2 4.28Å; L13-F34 HydrophobicContact CD1-CE1 4.43Å; L13-F34 HydrophobicContact CD1-CG 3.77Å; L13-F34 HydrophobicContact CD2-CB 3.99Å; L13-F34 HydrophobicContact CG-CB 4.25Å; L13-F34 HydrophobicContact CG-CG 4.36Å; L13-I206 HydrophobicContact CD1-CD1 3.65Å; L13-I206 HydrophobicContact CD1-CG1 3.9Å; L13-I206 HydrophobicContact CD1-CG2 4.11Å
14R98.4Very high96.2Very high96 Ų9660 Ų6036%0.36232%0.32SS..EExtended strand (participates in β ladder)trans-94.6170.5169-60.2-174.3172.9-76.4-10.1111D2 P3 S16 D17 V18D2-R14 PolarHBondContact O-NH1 3.36Å; D2-R14 WeakPolarHBondContact OD2-CB 3.47Å; D2-R14 WeakPolarHBondContact OD2-CD 3.49Å; P3-R14 CarbonylContact O-C 3.56Å; P3-R14 VanDerWaalsContact O-CA 3.3Å; P3-R14 WeakPolarHBondContact O-CA 3.42Å; R14-S16 PolarHBondContact O-N 3.14Å; R14-D17 WeakPolarHBondContact CB-OD2 3.21Å; R14-D17 PolarHBondContact N-OD2 3.24Å; R14-D17 WeakPolarHBondContact O-CB 3.5Å; R14-D17 PolarHBondContact O-N 3.25Å; R14-D17 VanDerWaalsContact O-N 3.15Å; R14-V18 WeakPolarHBondContact O-CG2 3.21Å; R14-V18 PolarHBondContact O-N 2.98Å; R14-V18 VanDerWaalsContact O-N 3.13Å
15R97.8Very high96.2Very high149 Ų14962.4 Ų62.456%0.56232%0.322SS*.Hα-helixtrans-56.9-42.5176.9-176.7179.5-64.6178.3-1.7111.1D2 P3 V5 D17 V18 S19D2-R15 WeakPolarHBondContact OD1-CB 3.02Å; D2-R15 PolarHBondContact OD1-N 3.37Å; P3-R15 HydrophobicContact CG-CB 4.13Å; P3-R15 PolarHBondContact O-N 3.08Å; V5-R15 HydrophobicContact CG2-CB 4.04Å; R15-D17 VanDerWaalsContact C-N 3.31Å; R15-D17 PolarHBondContact O-N 3.06Å; R15-V18 PolarHBondContact O-N 2.94Å; R15-S19 WeakPolarHBondContact O-CB 3.43Å; R15-S19 PolarHBondContact O-N 3.23Å; R15-S19 PolarHBondContact O-OG 3.43Å; R15-S19 VanDerWaalsContact O-OG 3.11Å
16S97.8Very high96.1Very high56 Ų5665.8 Ų65.839%0.39233%0.33SS..Hα-helixtrans-57.9-41.2177.261.90000112.9D2 R14D2-S16 PolarHBondContact OD1-N 2.89Å; D2-S16 PolarHBondContact OD1-OG 3.42Å; D2-S16 VanDerWaalsContact OD2-CB 3.3Å; D2-S16 WeakPolarHBondContact OD2-CB 3.42Å; D2-S16 PolarHBondContact OD2-OG 3.39Å; R14-S16 PolarHBondContact O-N 3.14Å
17D98.1Very high96.2Very high15 Ų1565.5 Ų65.58%0.0833%0.329CS..Hα-helixtrans-64.9-48.3177.5-54.8-53.8000111.3L13 R14 R15 S19 L20 N28 Q30 V31L13-D17 HydrophobicContact CD2-CB 4.26Å; R14-D17 WeakPolarHBondContact CB-OD2 3.21Å; R14-D17 PolarHBondContact N-OD2 3.24Å; R14-D17 WeakPolarHBondContact O-CB 3.5Å; R14-D17 PolarHBondContact O-N 3.25Å; R14-D17 VanDerWaalsContact O-N 3.15Å; R15-D17 VanDerWaalsContact C-N 3.31Å; R15-D17 PolarHBondContact O-N 3.06Å; D17-S19 VanDerWaalsContact C-N 3.31Å; D17-S19 PolarHBondContact O-N 3.24Å; D17-L20 VanDerWaalsContact O-CB 3.27Å; D17-L20 WeakPolarHBondContact O-CB 3.1Å; D17-L20 WeakPolarHBondContact O-CG 3.33Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-L20 VanDerWaalsContact O-N 3.11Å; D17-N28 PolarHBondContact OD1-ND2 3Å; D17-Q30 HydrophobicContact CB-CB 4.44Å; D17-V31 HydrophobicContact CB-CG2 4.19Å; D17-V31 WeakPolarHBondContact O-CG2 3.38Å
18V97.8Very high96.2Very high13 Ų1363 Ų638%0.07931%0.308CS..Hα-helixtrans-65.9-36.1-177.8-178.30000111.3V5 L13 R14 R15 L20 L21 I206V5-V18 HydrophobicContact CB-CG2 4.1Å; V5-V18 HydrophobicContact CG1-CG2 4.03Å; V5-V18 HydrophobicContact CG2-CG2 4.38Å; L13-V18 HydrophobicContact CB-CG2 4.09Å; L13-V18 HydrophobicContact CD1-CG2 4.35Å; R14-V18 WeakPolarHBondContact O-CG2 3.21Å; R14-V18 PolarHBondContact O-N 2.98Å; R14-V18 VanDerWaalsContact O-N 3.13Å; R15-V18 PolarHBondContact O-N 2.94Å; V18-L20 PolarHBondContact O-N 2.98Å; V18-L20 VanDerWaalsContact O-N 3.16Å; V18-L21 WeakPolarHBondContact O-CB 3.45Å; V18-L21 PolarHBondContact O-N 2.88Å; V18-I206 HydrophobicContact CG1-CG2 4.4Å; V18-I206 HydrophobicContact CG2-CD1 4.49Å; V18-I206 HydrophobicContact CG2-CG2 3.83Å
19S97.6Very high96.3Very high43 Ų4364.4 Ų64.430%0.30132%0.318SS..Hα-helixtrans-60.7-22175.6-69.70000113.3R15 D17 L21 E22R15-S19 WeakPolarHBondContact O-CB 3.43Å; R15-S19 PolarHBondContact O-N 3.23Å; R15-S19 PolarHBondContact O-OG 3.43Å; R15-S19 VanDerWaalsContact O-OG 3.11Å; D17-S19 VanDerWaalsContact C-N 3.31Å; D17-S19 PolarHBondContact O-N 3.24Å; S19-L21 PolarHBondContact O-N 2.97Å; S19-E22 WeakPolarHBondContact O-CB 3.29Å; S19-E22 PolarHBondContact O-N 3.14Å; S19-E22 VanDerWaalsContact O-N 3.13Å
20L97.9Very high96.4Very high38 Ų3861.3 Ų61.320%0.19930%0.303CS..G310 helixtrans-64.6-22.5174.9-57.5174.8000112.7D17 V18 E22 L27 N28 R199D17-L20 VanDerWaalsContact O-CB 3.27Å; D17-L20 WeakPolarHBondContact O-CB 3.1Å; D17-L20 WeakPolarHBondContact O-CG 3.33Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-L20 VanDerWaalsContact O-N 3.11Å; V18-L20 PolarHBondContact O-N 2.98Å; V18-L20 VanDerWaalsContact O-N 3.16Å; L20-E22 VanDerWaalsContact C-N 3.31Å; L20-L27 HydrophobicContact CB-CD2 4.15Å; L20-N28 HydrophobicContact CD1-CB 3.9Å; L20-R199 PolarHBondContact O-NH1 2.87Å
21L97.3Very high96.7Very high3 Ų354.1 Ų54.12%0.01627%0.265CS..G310 helixtrans-74.7-20.1176.6-70.5163.9000112.8V18 S19 G23 L27 V31 M164 R199 W202 C203 I206V18-L21 WeakPolarHBondContact O-CB 3.45Å; V18-L21 PolarHBondContact O-N 2.88Å; S19-L21 PolarHBondContact O-N 2.97Å; L21-G23 PolarHBondContact O-N 3Å; L21-L27 HydrophobicContact CD2-CD2 3.93Å; L21-L27 HydrophobicContact CG-CD2 4.37Å; L21-V31 HydrophobicContact CD1-CG1 4.3Å; L21-V31 HydrophobicContact CD2-CG1 4.05Å; L21-V31 HydrophobicContact CG-CG1 4.22Å; L21-M164 HydrophobicContact CD2-SD 3.97Å; L21-R199 WeakPolarHBondContact O-CB 3.37Å; L21-W202 HydrophobicContact CD1-CB 4.25Å; L21-W202 HydrophobicContact CD2-CB 4.14Å; L21-C203 HydrophobicContact CB-CB 4.24Å; L21-C203 HydrophobicContact CD1-CB 4.34Å; L21-I206 HydrophobicContact CD1-CD1 3.49Å; L21-I206 VanDerWaalsContact CD1-CD1 3.49Å
22E94.3Very high96.9Very high140 Ų14053.7 Ų53.765%0.65426%0.262SS*.G310 helixtrans-69.7-15.2-178.7-63.3179-179.700112.9S19 L20S19-E22 WeakPolarHBondContact O-CB 3.29Å; S19-E22 PolarHBondContact O-N 3.14Å; S19-E22 VanDerWaalsContact O-N 3.13Å; L20-E22 VanDerWaalsContact C-N 3.31Å
23G84.9Confident96.9Very high20 Ų2050.9 Ų50.921%0.20625%0.249CC..SBendtrans70159.4178.900000112.9L21 Y25L21-G23 PolarHBondContact O-N 3Å; G23-Y25 WeakPolarHBondContact O-CE2 3.29Å
24P93.6Very high96.9Very high81 Ų8150.9 Ų50.953%0.52625%0.249SC..SBendcis-86.956.4-6.235.8-34.7000112.2Y160P24-Y160 HydrophobicContact CB-CD1 3.62Å; P24-Y160 HydrophobicContact CB-CD2 4.17Å; P24-Y160 HydrophobicContact CB-CE1 3.3Å; P24-Y160 HydrophobicContact CB-CE2 3.91Å; P24-Y160 HydrophobicContact CB-CG 4.04Å; P24-Y160 VanDerWaalsContact CB-CZ 3.46Å; P24-Y160 WeakPolarHBondContact O-CB 3.32Å
25Y96.8Very high96.9Very high124 Ų12446.3 Ų46.349%0.48623%0.231SC..PPolyproline II helixtrans-98.4150.6-175.5-52.8-64.5000113.1G23 R199G23-Y25 WeakPolarHBondContact O-CE2 3.29Å; Y25-R199 PolarHBondContact O-NH1 3.01Å; Y25-R199 PolarHBondContact O-NH2 3.25Å
26W97.2Very high97Very high118 Ų11839.4 Ų39.445%0.44721%0.205SC..PPolyproline II helixtrans-70.7137.7172.5-67.78.7000109.3S101 S159W26-S101 WeakPolarHBondContact CH2-O 2.94Å; W26-S101 VanDerWaalsContact CZ3-CA 3.49Å; W26-S159 PolarHBondContact NE1-O 3.2Å
27L98.2Very high97Very high4 Ų438.7 Ų38.72%0.02120%0.196CC..PPolyproline II helixtrans-74.1142.7168.6-56.9-168.3000109.9L20 L21 V31 I32 W103 M164 I167L20-L27 HydrophobicContact CB-CD2 4.15Å; L21-L27 HydrophobicContact CD2-CD2 3.93Å; L21-L27 HydrophobicContact CG-CD2 4.37Å; L27-V31 HydrophobicContact CD1-CG1 3.97Å; L27-V31 HydrophobicContact CD2-CG1 4.23Å; L27-I32 HydrophobicContact CB-CD1 4.45Å; L27-I32 HydrophobicContact CB-CG1 4.32Å; L27-I32 HydrophobicContact CD1-CG1 4.5Å; L27-W103 PolarHBondContact O-NE1 3.19Å; L27-M164 HydrophobicContact CD1-CG 3.87Å; L27-M164 HydrophobicContact CD1-SD 3.69Å; L27-M164 HydrophobicContact CG-CG 4.39Å; L27-I167 HydrophobicContact CD1-CD1 3.7Å
28N97.8Very high97Very high40 Ų4039.4 Ų39.421%0.21420%0.198CC..  trans-91.8-179.117066.9-4.7000111.2D17 L20 Q30 V31 I32D17-N28 PolarHBondContact OD1-ND2 3Å; L20-N28 HydrophobicContact CD1-CB 3.9Å; N28-Q30 PolarHBondContact OD1-N 2.71Å; N28-V31 WeakPolarHBondContact OD1-CG2 3.33Å; N28-V31 PolarHBondContact OD1-N 3.42Å; N28-V31 VanDerWaalsContact OD1-N 3.14Å; N28-I32 WeakPolarHBondContact O-CG1 3.45Å; N28-I32 PolarHBondContact O-N 3.42Å
29D97.6Very high97Very high62 Ų6238.8 Ų38.833%0.33219%0.194SC..Hα-helixtrans-58.1-43.6173.946.112.9000112.3V31 I32 G33 P56 W103D29-V31 PolarHBondContact O-N 2.62Å; D29-I32 PolarHBondContact O-N 3.06Å; D29-G33 PolarHBondContact O-N 3.33Å; D29-P56 HydrophobicContact CB-CB 3.73Å; D29-P56 HydrophobicContact CB-CG 4.14Å; D29-W103 HydrophobicContact CB-CH2 4.4Å
30Q98.1Very high97Very high57 Ų5738.7 Ų38.727%0.26620%0.196SC..Hα-helixtrans-56-46.7-178.1-62.9-54.8-48.300113L13 D17 N28 F34 E57L13-Q30 HydrophobicContact CD2-CB 3.95Å; L13-Q30 WeakPolarHBondContact CD2-O 3.23Å; D17-Q30 HydrophobicContact CB-CB 4.44Å; N28-Q30 PolarHBondContact OD1-N 2.71Å; Q30-F34 WeakPolarHBondContact O-CB 3.37Å; Q30-F34 PolarHBondContact O-N 2.99Å; Q30-E57 PolarHBondContact NE2-OE1 2.74Å
31V98.5Very high97Very high2 Ų239.9 Ų39.91%0.01220%0.202CC..Hα-helixtrans-68.3-39.4-179.8178.90000111.7D17 L21 L27 N28 D29 A35 I167D17-V31 HydrophobicContact CB-CG2 4.19Å; D17-V31 WeakPolarHBondContact O-CG2 3.38Å; L21-V31 HydrophobicContact CD1-CG1 4.3Å; L21-V31 HydrophobicContact CD2-CG1 4.05Å; L21-V31 HydrophobicContact CG-CG1 4.22Å; L27-V31 HydrophobicContact CD1-CG1 3.97Å; L27-V31 HydrophobicContact CD2-CG1 4.23Å; N28-V31 WeakPolarHBondContact OD1-CG2 3.33Å; N28-V31 PolarHBondContact OD1-N 3.42Å; N28-V31 VanDerWaalsContact OD1-N 3.14Å; D29-V31 PolarHBondContact O-N 2.62Å; V31-A35 PolarHBondContact O-N 3.33Å; V31-A35 VanDerWaalsContact O-N 3.1Å; V31-I167 HydrophobicContact CG1-CD1 4.48Å
32I98.8Very high96.9Very high0 Ų044 Ų440%022%0.222CC..Hα-helixtrans-71.4-41.4179-61.4169.9000110.6L27 N28 D29 A35 F36 P56 A89 W103 V166 I167L27-I32 HydrophobicContact CB-CD1 4.45Å; L27-I32 HydrophobicContact CB-CG1 4.32Å; L27-I32 HydrophobicContact CD1-CG1 4.5Å; N28-I32 WeakPolarHBondContact O-CG1 3.45Å; N28-I32 PolarHBondContact O-N 3.42Å; D29-I32 PolarHBondContact O-N 3.06Å; I32-A35 WeakPolarHBondContact O-CB 3.39Å; I32-A35 PolarHBondContact O-N 3.11Å; I32-F36 HydrophobicContact CG2-CE1 4.42Å; I32-F36 PolarHBondContact O-N 2.9Å; I32-P56 HydrophobicContact CB-CG 3.89Å; I32-P56 HydrophobicContact CG2-CG 3.82Å; I32-A89 HydrophobicContact CG2-CB 3.79Å; I32-W103 HydrophobicContact CD1-CD2 3.58Å; I32-W103 HydrophobicContact CD1-CE3 4.03Å; I32-W103 HydrophobicContact CD1-CG 3.81Å; I32-W103 HydrophobicContact CD1-CZ2 4.21Å; I32-V166 HydrophobicContact CG2-CG1 4.27Å; I32-I167 HydrophobicContact CG1-CD1 4.28Å; I32-I167 HydrophobicContact CG1-CG1 4.45Å
33G98.5Very high97.1Very high6 Ų641.9 Ų41.96%0.06221%0.207CC..Hα-helixtrans-59-47.8174.500000111.5D29 A35 F36 E37D29-G33 PolarHBondContact O-N 3.33Å; G33-A35 VanDerWaalsContact C-N 3.32Å; G33-A35 PolarHBondContact O-N 3.45Å; G33-F36 WeakPolarHBondContact O-CB 3.3Å; G33-F36 PolarHBondContact O-N 3.2Å; G33-F36 VanDerWaalsContact O-N 3.14Å; G33-E37 PolarHBondContact O-N 2.91Å
34F98.6Very high97.6Very high1 Ų141 Ų410%0.00420%0.198CC..Hα-helixtrans-56.6-44.3172.9165.5-105.8000112.5L6 Y8 S11 L13 Q30 F36 E37 Y38 W202 I206 L209L6-F34 HydrophobicContact CD2-CD2 4.01Å; L6-F34 HydrophobicContact CD2-CE2 3.45Å; L6-F34 VanDerWaalsContact CD2-CE2 3.45Å; L6-F34 HydrophobicContact CD2-CZ 3.84Å; Y8-F34 HydrophobicContact CD1-CD2 4.39Å; Y8-F34 HydrophobicContact CD1-CE2 4.16Å; Y8-F34 HydrophobicContact CG-CD2 4.48Å; Y8-F34 HydrophobicContact CG-CE2 4.05Å; S11-F34 WeakPolarHBondContact OG-CA 3.43Å; S11-F34 PolarHBondContact OG-N 3.14Å; L13-F34 HydrophobicContact CD1-CB 4.06Å; L13-F34 HydrophobicContact CD1-CD1 3.86Å; L13-F34 HydrophobicContact CD1-CD2 4.28Å; L13-F34 HydrophobicContact CD1-CE1 4.43Å; L13-F34 HydrophobicContact CD1-CG 3.77Å; L13-F34 HydrophobicContact CD2-CB 3.99Å; L13-F34 HydrophobicContact CG-CB 4.25Å; L13-F34 HydrophobicContact CG-CG 4.36Å; Q30-F34 WeakPolarHBondContact O-CB 3.37Å; Q30-F34 PolarHBondContact O-N 2.99Å; F34-F36 VanDerWaalsContact C-N 3.29Å; F34-F36 PolarHBondContact O-N 3.4Å; F34-E37 PolarHBondContact O-N 3.39Å; F34-Y38 WeakPolarHBondContact O-CB 3.39Å; F34-Y38 PolarHBondContact O-N 2.73Å; F34-W202 HydrophobicContact CD1-CE3 4.27Å; F34-W202 HydrophobicContact CD1-CZ3 4.04Å; F34-W202 AromaticContact CE1-CE3 3.76Å; F34-W202 HydrophobicContact CE1-CE3 3.76Å; F34-W202 AromaticContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CZ-CZ3 4.37Å; F34-I206 HydrophobicContact CD1-CD1 4.18Å; F34-I206 HydrophobicContact CD1-CG1 4.07Å; F34-I206 HydrophobicContact CE1-CD1 3.96Å; F34-I206 HydrophobicContact CE1-CG1 3.42Å; F34-I206 VanDerWaalsContact CE1-CG1 3.42Å; F34-I206 HydrophobicContact CZ-CG1 3.91Å; F34-L209 HydrophobicContact CE2-CD1 4.15Å; F34-L209 HydrophobicContact CZ-CD1 3.8Å
35A98.8Very high97.7Very high0 Ų046.1 Ų46.10%021%0.207CC..Hα-helixtrans-61.3-40.4178.600000112.1V31 I32 G33 Y38 F39 I167 W202V31-A35 PolarHBondContact O-N 3.33Å; V31-A35 VanDerWaalsContact O-N 3.1Å; I32-A35 WeakPolarHBondContact O-CB 3.39Å; I32-A35 PolarHBondContact O-N 3.11Å; G33-A35 VanDerWaalsContact C-N 3.32Å; G33-A35 PolarHBondContact O-N 3.45Å; A35-Y38 PolarHBondContact O-N 3.27Å; A35-F39 WeakPolarHBondContact O-CB 3.42Å; A35-F39 WeakPolarHBondContact O-CD1 3.39Å; A35-F39 VanDerWaalsContact O-CD2 3.3Å; A35-F39 WeakPolarHBondContact O-CD2 3.43Å; A35-F39 WeakPolarHBondContact O-CG 3.43Å; A35-F39 PolarHBondContact O-N 2.83Å; A35-I167 HydrophobicContact CB-CB 4.47Å; A35-I167 HydrophobicContact CB-CD1 3.82Å; A35-I167 HydrophobicContact CB-CG1 3.78Å; A35-I167 HydrophobicContact CB-CG2 3.91Å; A35-W202 HydrophobicContact CB-CE3 4.47Å; A35-W202 HydrophobicContact CB-CH2 3.48Å; A35-W202 VanDerWaalsContact CB-CH2 3.48Å; A35-W202 HydrophobicContact CB-CZ2 3.97Å; A35-W202 HydrophobicContact CB-CZ3 3.78Å
36F98.6Very high97.6Very high4 Ų445.5 Ų45.52%0.01822%0.216CC..Hα-helixtrans-66.9-41176.6-8422.6000112.1I32 G33 F34 F39 A40 F53 I54 F87 A89 L105 V166 A170I32-F36 HydrophobicContact CG2-CE1 4.42Å; I32-F36 PolarHBondContact O-N 2.9Å; G33-F36 WeakPolarHBondContact O-CB 3.3Å; G33-F36 PolarHBondContact O-N 3.2Å; G33-F36 VanDerWaalsContact O-N 3.14Å; F34-F36 VanDerWaalsContact C-N 3.29Å; F34-F36 PolarHBondContact O-N 3.4Å; F36-F39 HydrophobicContact CD1-CD2 4.18Å; F36-F39 HydrophobicContact CD1-CE2 4.42Å; F36-F39 WeakPolarHBondContact O-CB 3.31Å; F36-F39 PolarHBondContact O-N 3.27Å; F36-A40 PolarHBondContact O-N 3.08Å; F36-F53 HydrophobicContact CB-CB 3.69Å; F36-F53 HydrophobicContact CB-CG 4.42Å; F36-F53 HydrophobicContact CD1-CD1 4.25Å; F36-F53 HydrophobicContact CD2-CB 3.7Å; F36-F53 HydrophobicContact CD2-CD1 4.42Å; F36-F53 HydrophobicContact CE2-CB 4.48Å; F36-F53 HydrophobicContact CG-CB 3.78Å; F36-F53 HydrophobicContact CG-CD1 4.18Å; F36-F53 HydrophobicContact CG-CG 4.39Å; F36-I54 WeakPolarHBondContact CD2-O 3.49Å; F36-I54 WeakPolarHBondContact CE2-O 3.42Å; F36-F87 HydrophobicContact CE2-CB 4.46Å; F36-A89 HydrophobicContact CE2-CB 4.05Å; F36-A89 HydrophobicContact CZ-CB 4.15Å; F36-L105 HydrophobicContact CZ-CD1 3.9Å; F36-V166 HydrophobicContact CE1-CG1 4.36Å; F36-V166 HydrophobicContact CZ-CG1 4.23Å; F36-A170 HydrophobicContact CE1-CB 4.06Å
37E97.6Very high97.5Very high42 Ų4241 Ų4120%0.19620%0.201CC..Hα-helixtrans-61-46.4172.5-85-59.6129.300112.1Y8 Q9 S11 G33 F34 F39 A40 N41Y8-E37 HydrophobicContact CD1-CB 4.47Å; Q9-E37 WeakPolarHBondContact CB-OE2 3.46Å; S11-E37 WeakPolarHBondContact OG-CG 3.44Å; G33-E37 PolarHBondContact O-N 2.91Å; F34-E37 PolarHBondContact O-N 3.39Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 2.6Å; E37-A40 PolarHBondContact O-N 2.93Å; E37-N41 WeakPolarHBondContact O-CB 3.44Å; E37-N41 PolarHBondContact O-N 3.11Å; E37-N41 PolarHBondContact O-ND2 3.24Å; E37-N41 PolarHBondContact OE2-ND2 2.95Å
38Y98.4Very high97.3Very high30 Ų3042.9 Ų42.912%0.11822%0.22CC..Hα-helixtrans-63.2-36.9177.1-178.3-101.4000112F34 A35 E42 R43 W202 L205 L209F34-Y38 WeakPolarHBondContact O-CB 3.39Å; F34-Y38 PolarHBondContact O-N 2.73Å; A35-Y38 PolarHBondContact O-N 3.27Å; Y38-E42 HydrophobicContact CD2-CB 4.01Å; Y38-E42 HydrophobicContact CD2-CG 4.4Å; Y38-E42 WeakPolarHBondContact CD2-OE2 3.44Å; Y38-E42 HydrophobicContact CE2-CB 3.89Å; Y38-E42 HydrophobicContact CE2-CG 3.8Å; Y38-E42 WeakPolarHBondContact CE2-OE2 3.38Å; Y38-E42 WeakPolarHBondContact O-CB 3.39Å; Y38-E42 PolarHBondContact O-N 3.45Å; Y38-R43 HydrophobicContact CD1-CB 4.13Å; Y38-R43 HydrophobicContact CE1-CB 3.81Å; Y38-R43 PolarHBondContact O-N 3.27Å; Y38-W202 AromaticContact CD1-CH2 3.83Å; Y38-W202 HydrophobicContact CD1-CH2 3.83Å; Y38-W202 HydrophobicContact CD1-CZ3 4.12Å; Y38-W202 HydrophobicContact CG-CH2 4.45Å; Y38-W202 HydrophobicContact CG-CZ3 4.42Å; Y38-L205 HydrophobicContact CD1-CD2 3.93Å; Y38-L205 HydrophobicContact CD2-CD2 4.29Å; Y38-L205 HydrophobicContact CE1-CD2 3.59Å; Y38-L205 HydrophobicContact CE2-CD1 3.96Å; Y38-L205 HydrophobicContact CE2-CD2 3.98Å; Y38-L205 HydrophobicContact CE2-CG 4.42Å; Y38-L205 HydrophobicContact CG-CD2 4.26Å; Y38-L209 HydrophobicContact CD2-CD1 4.06Å; Y38-L209 HydrophobicContact CE2-CD1 4.07Å
39F98.4Very high97.2Very high0 Ų046.7 Ų46.70%024%0.241CC..Iπ-helixtrans-63.9-47.2173.7-69.9-18.3000112.5A35 F36 E37 R43 F44 F53 I167 A170 E171 W202A35-F39 WeakPolarHBondContact O-CB 3.42Å; A35-F39 WeakPolarHBondContact O-CD1 3.39Å; A35-F39 VanDerWaalsContact O-CD2 3.3Å; A35-F39 WeakPolarHBondContact O-CD2 3.43Å; A35-F39 WeakPolarHBondContact O-CG 3.43Å; A35-F39 PolarHBondContact O-N 2.83Å; F36-F39 HydrophobicContact CD1-CD2 4.18Å; F36-F39 HydrophobicContact CD1-CE2 4.42Å; F36-F39 WeakPolarHBondContact O-CB 3.31Å; F36-F39 PolarHBondContact O-N 3.27Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 2.6Å; F39-R43 HydrophobicContact CD1-CB 4.22Å; F39-F44 HydrophobicContact CB-CD2 3.82Å; F39-F44 HydrophobicContact CB-CE2 4.39Å; F39-F44 AromaticContact CD1-CD2 3.86Å; F39-F44 HydrophobicContact CD1-CD2 3.86Å; F39-F44 AromaticContact CD1-CE2 3.63Å; F39-F44 HydrophobicContact CD1-CE2 3.63Å; F39-F44 HydrophobicContact CE1-CE2 4.03Å; F39-F44 AromaticContact CG-CD2 3.91Å; F39-F44 HydrophobicContact CG-CD2 3.91Å; F39-F44 AromaticContact CG-CE2 3.97Å; F39-F44 HydrophobicContact CG-CE2 3.97Å; F39-F44 CarbonylContact O-C 3.52Å; F39-F44 WeakPolarHBondContact O-CA 3.37Å; F39-F44 WeakPolarHBondContact O-CB 3.43Å; F39-F44 PolarHBondContact O-N 3.34Å; F39-F53 HydrophobicContact CB-CD1 4.3Å; F39-F53 HydrophobicContact CB-CD2 4.29Å; F39-F53 HydrophobicContact CB-CE1 3.91Å; F39-F53 HydrophobicContact CB-CE2 3.9Å; F39-F53 HydrophobicContact CB-CG 4.48Å; F39-F53 HydrophobicContact CB-CZ 3.69Å; F39-F53 HydrophobicContact CD2-CD1 4.25Å; F39-F53 AromaticContact CD2-CE1 3.91Å; F39-F53 HydrophobicContact CD2-CE1 3.91Å; F39-F53 HydrophobicContact CD2-CZ 4.46Å; F39-F53 HydrophobicContact CG-CE1 4.35Å; F39-F53 HydrophobicContact CG-CZ 4.47Å; F39-I167 HydrophobicContact CE2-CG2 4.31Å; F39-I167 HydrophobicContact CZ-CG2 3.89Å; F39-A170 HydrophobicContact CE2-CB 4.04Å; F39-E171 HydrophobicContact CE1-CB 4.1Å; F39-E171 HydrophobicContact CE1-CG 4.06Å; F39-E171 HydrophobicContact CE2-CB 4.37Å; F39-E171 HydrophobicContact CZ-CB 3.66Å; F39-E171 HydrophobicContact CZ-CG 4.14Å; F39-W202 HydrophobicContact CD1-CH2 4.33Å; F39-W202 AromaticContact CE1-CH2 3.7Å; F39-W202 HydrophobicContact CE1-CH2 3.7Å; F39-W202 AromaticContact CE1-CZ2 3.52Å; F39-W202 HydrophobicContact CE1-CZ2 3.52Å; F39-W202 HydrophobicContact CZ-CH2 4Å; F39-W202 AromaticContact CZ-CZ2 3.58Å; F39-W202 HydrophobicContact CZ-CZ2 3.58Å
40A97.3Very high97.1Very high40 Ų4045 Ų4533%0.33124%0.235SC..Iπ-helixtrans-64.6-45.7-179.400000112.3F36 E37 F53F36-A40 PolarHBondContact O-N 3.08Å; E37-A40 PolarHBondContact O-N 2.93Å; A40-F53 HydrophobicContact CB-CD2 3.9Å; A40-F53 HydrophobicContact CB-CE2 4.44Å
41N96.8Very high97Very high63 Ų6342.8 Ų42.834%0.33723%0.227SC..Iπ-helixtrans-95.3-23.6-166.1-67.8-74.4000114.4E37 R45E37-N41 WeakPolarHBondContact O-CB 3.44Å; E37-N41 PolarHBondContact O-N 3.11Å; E37-N41 PolarHBondContact O-ND2 3.24Å; E37-N41 PolarHBondContact OE2-ND2 2.95Å; N41-R45 WeakPolarHBondContact O-CD 3.45Å
42E96.5Very high97Very high91 Ų9143.8 Ų43.843%0.42523%0.232SC..Iπ-helixtrans-128.9-66.5-171.1-168.3161.1179.700112.1Y8 Y38 F44Y8-E42 WeakPolarHBondContact OH-CB 3.12Å; Y8-E42 PolarHBondContact OH-OE2 3.43Å; Y38-E42 HydrophobicContact CD2-CB 4.01Å; Y38-E42 HydrophobicContact CD2-CG 4.4Å; Y38-E42 WeakPolarHBondContact CD2-OE2 3.44Å; Y38-E42 HydrophobicContact CE2-CB 3.89Å; Y38-E42 HydrophobicContact CE2-CG 3.8Å; Y38-E42 WeakPolarHBondContact CE2-OE2 3.38Å; Y38-E42 WeakPolarHBondContact O-CB 3.39Å; Y38-E42 PolarHBondContact O-N 3.45Å; E42-F44 PolarHBondContact O-N 2.95Å
43R97.3Very high97Very high94 Ų9444.8 Ų44.836%0.35524%0.236SC..Iπ-helixtrans-66.1-42.4-171.3-172177-179.495.19.6113.4Y38 F39 E171 E175Y38-R43 HydrophobicContact CD1-CB 4.13Å; Y38-R43 HydrophobicContact CE1-CB 3.81Å; Y38-R43 PolarHBondContact O-N 3.27Å; F39-R43 HydrophobicContact CD1-CB 4.22Å; R43-E171 IonicContact CZ-OE1 3.16Å; R43-E171 IonicContact NE-OE1 3.56Å; R43-E171 PolarHBondContact NE-OE1 2.79Å; R43-E171 IonicContact NH1-OE1 2.87Å; R43-E171 PolarHBondContact NH1-OE1 3.07Å; R43-E171 VanDerWaalsContact NH1-OE1 3.14Å; R43-E171 IonicContact NH2-OE1 3.48Å; R43-E171 PolarHBondContact NH2-OE1 3.2Å; R43-E175 IonicContact CZ-OE1 2.62Å; R43-E175 IonicContact NE-OE1 3.3Å; R43-E175 PolarHBondContact NE-OE1 2.93Å; R43-E175 IonicContact NH2-OE1 3.29Å; R43-E175 PolarHBondContact NH2-OE1 3.09Å
44F97.3Very high96.9Very high2 Ų244.7 Ų44.71%0.00923%0.234CC..THydrogen-bonded Turntrans-120.327.5-176.5-55.3-67.8000112.6F39 E42 V46 L47 E171 C174 E175F39-F44 HydrophobicContact CB-CD2 3.82Å; F39-F44 HydrophobicContact CB-CE2 4.39Å; F39-F44 AromaticContact CD1-CD2 3.86Å; F39-F44 HydrophobicContact CD1-CD2 3.86Å; F39-F44 AromaticContact CD1-CE2 3.63Å; F39-F44 HydrophobicContact CD1-CE2 3.63Å; F39-F44 HydrophobicContact CE1-CE2 4.03Å; F39-F44 AromaticContact CG-CD2 3.91Å; F39-F44 HydrophobicContact CG-CD2 3.91Å; F39-F44 AromaticContact CG-CE2 3.97Å; F39-F44 HydrophobicContact CG-CE2 3.97Å; F39-F44 CarbonylContact O-C 3.52Å; F39-F44 WeakPolarHBondContact O-CA 3.37Å; F39-F44 WeakPolarHBondContact O-CB 3.43Å; F39-F44 PolarHBondContact O-N 3.34Å; E42-F44 PolarHBondContact O-N 2.95Å; F44-V46 PolarHBondContact O-N 3.35Å; F44-L47 HydrophobicContact CB-CD1 3.88Å; F44-L47 HydrophobicContact CB-CG 4.1Å; F44-L47 HydrophobicContact CG-CD1 4.45Å; F44-L47 WeakPolarHBondContact O-CB 3.5Å; F44-L47 PolarHBondContact O-N 3.46Å; F44-E171 HydrophobicContact CE2-CG 4.17Å; F44-E171 HydrophobicContact CZ-CG 3.93Å; F44-E171 WeakPolarHBondContact CZ-O 3.4Å; F44-C174 HydrophobicContact CD1-CB 3.71Å; F44-C174 HydrophobicContact CD2-CB 3.64Å; F44-C174 HydrophobicContact CE1-CB 3.6Å; F44-C174 HydrophobicContact CE2-CB 3.52Å; F44-C174 HydrophobicContact CG-CB 3.72Å; F44-C174 HydrophobicContact CZ-CB 3.51Å; F44-E175 HydrophobicContact CE1-CG 3.91Å; F44-E175 WeakPolarHBondContact CE1-OE1 3.39Å; F44-E175 HydrophobicContact CZ-CG 3.96Å
45R95.8Very high96.9Very high188 Ų18846 Ų4671%0.70924%0.244SC*.G310 helixtrans-50.7-29.8174.6-173.2178.8175178.71113.3N41 L47 G48N41-R45 WeakPolarHBondContact O-CD 3.45Å; R45-L47 PolarHBondContact O-N 3.05Å; R45-G48 WeakPolarHBondContact O-CA 3.49Å; R45-G48 PolarHBondContact O-N 3.34Å
46V94.8Very high96.8Very high112 Ų11246.2 Ų46.268%0.67925%0.245SC*.G310 helixtrans-62-24.7175.869.40000113.8F44 G48 R178F44-V46 PolarHBondContact O-N 3.35Å; V46-G48 PolarHBondContact O-N 2.64Å; V46-R178 HydrophobicContact CG1-CG 4.4Å
47L94.6Very high96.7Very high24 Ų2449.7 Ų49.713%0.12626%0.261CS..G310 helixtrans-72.1-22.3174.2-59-176.6000111.5F44 R45 A50 A51 C174 V177F44-L47 HydrophobicContact CB-CD1 3.88Å; F44-L47 HydrophobicContact CB-CG 4.1Å; F44-L47 HydrophobicContact CG-CD1 4.45Å; F44-L47 WeakPolarHBondContact O-CB 3.5Å; F44-L47 PolarHBondContact O-N 3.46Å; R45-L47 PolarHBondContact O-N 3.05Å; L47-A50 VanDerWaalsContact O-CB 3.3Å; L47-A50 WeakPolarHBondContact O-CB 3.42Å; L47-A50 PolarHBondContact O-N 2.98Å; L47-A50 VanDerWaalsContact O-N 3.11Å; L47-A51 HydrophobicContact CB-CB 3.88Å; L47-A51 HydrophobicContact CD1-CB 3.97Å; L47-C174 HydrophobicContact CD1-CB 4.18Å; L47-V177 HydrophobicContact CD2-CG1 3.85Å
48G94.1Very high96.6Very high42 Ų4249.2 Ų49.243%0.43326%0.261SS..G310 helixtrans47.4-137.6176.900000112R45 V46 A50 A51R45-G48 WeakPolarHBondContact O-CA 3.49Å; R45-G48 PolarHBondContact O-N 3.34Å; V46-G48 PolarHBondContact O-N 2.64Å; G48-A50 PolarHBondContact O-N 2.91Å; G48-A50 VanDerWaalsContact O-N 3.08Å; G48-A51 PolarHBondContact O-N 3.38Å
49D94Very high96.5Very high120 Ų12047.9 Ų47.964%0.64226%0.256SS*.G310 helixtrans-67.7-10.2-177.5-70.2-49.5000115.1A51 R83D49-A51 VanDerWaalsContact C-N 3.29Å; D49-A51 PolarHBondContact O-N 3.31Å; D49-R83 VanDerWaalsContact CB-NH1 3.33Å; D49-R83 WeakPolarHBondContact O-CD 3.3Å; D49-R83 PolarHBondContact O-NH1 3.31Å; D49-R83 IonicContact OD1-CZ 2.83Å; D49-R83 IonicContact OD1-NH1 3.08Å; D49-R83 PolarHBondContact OD1-NH1 3.49Å
50A95.7Very high96.4Very high26 Ų2650 Ų5022%0.21527%0.266CS..G310 helixtrans-72.1-24.4179.100000112.6L47 G48 R84 W85L47-A50 VanDerWaalsContact O-CB 3.3Å; L47-A50 WeakPolarHBondContact O-CB 3.42Å; L47-A50 PolarHBondContact O-N 2.98Å; L47-A50 VanDerWaalsContact O-N 3.11Å; G48-A50 PolarHBondContact O-N 2.91Å; G48-A50 VanDerWaalsContact O-N 3.08Å; A50-R84 HydrophobicContact CB-CB 4.3Å; A50-R84 HydrophobicContact CB-CG 4.07Å; A50-R84 WeakPolarHBondContact O-CA 3.08Å; A50-R84 WeakPolarHBondContact O-CB 3.41Å; A50-R84 PolarHBondContact O-N 3.46Å; A50-W85 HydrophobicContact CB-CE3 4.01Å; A50-W85 HydrophobicContact CB-CZ3 3.64Å; A50-W85 PolarHBondContact O-N 2.94Å
51A96.9Very high96.3Very high11 Ų1150.7 Ų50.79%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-118.9137.9177.300000110.5L47 G48 D49 F53 W85L47-A51 HydrophobicContact CB-CB 3.88Å; L47-A51 HydrophobicContact CD1-CB 3.97Å; G48-A51 PolarHBondContact O-N 3.38Å; D49-A51 VanDerWaalsContact C-N 3.29Å; D49-A51 PolarHBondContact O-N 3.31Å; A51-F53 HydrophobicContact CB-CE2 4.47Å; A51-W85 WeakPolarHBondContact CA-O 3.32Å; A51-W85 HydrophobicContact CB-CB 4.37Å; A51-W85 HydrophobicContact CB-CE3 4.22Å
52I98.1Very high96.3Very high24 Ų2447.7 Ų47.712%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-127.7141170.1-168.2171.8000109.7L78 L80 R83 W85 V86 F87I52-L78 HydrophobicContact CD1-CB 3.94Å; I52-L78 HydrophobicContact CD1-CD2 4.02Å; I52-L78 HydrophobicContact CD1-CG 4.46Å; I52-L80 HydrophobicContact CG2-CD2 4.41Å; I52-R83 HydrophobicContact CB-CG 4.19Å; I52-R83 HydrophobicContact CG2-CB 4.16Å; I52-R83 HydrophobicContact CG2-CG 3.78Å; I52-W85 PolarHBondContact N-O 3.49Å; I52-V86 HydrophobicContact CG2-CB 3.99Å; I52-V86 HydrophobicContact CG2-CG1 3.73Å; I52-V86 HydrophobicContact CG2-CG2 3.85Å; I52-F87 PolarHBondContact O-N 2.85Å
53F98.4Very high96.3Very high20 Ų2043.4 Ų43.49%0.08823%0.225CC..EExtended strand (participates in β ladder)trans-112.5109.4175.8-60.1-93.1000108.3F36 F39 A40 A51 F87 C174F36-F53 HydrophobicContact CB-CB 3.69Å; F36-F53 HydrophobicContact CB-CG 4.42Å; F36-F53 HydrophobicContact CD1-CD1 4.25Å; F36-F53 HydrophobicContact CD2-CB 3.7Å; F36-F53 HydrophobicContact CD2-CD1 4.42Å; F36-F53 HydrophobicContact CE2-CB 4.48Å; F36-F53 HydrophobicContact CG-CB 3.78Å; F36-F53 HydrophobicContact CG-CD1 4.18Å; F36-F53 HydrophobicContact CG-CG 4.39Å; F39-F53 HydrophobicContact CB-CD1 4.3Å; F39-F53 HydrophobicContact CB-CD2 4.29Å; F39-F53 HydrophobicContact CB-CE1 3.91Å; F39-F53 HydrophobicContact CB-CE2 3.9Å; F39-F53 HydrophobicContact CB-CG 4.48Å; F39-F53 HydrophobicContact CB-CZ 3.69Å; F39-F53 HydrophobicContact CD2-CD1 4.25Å; F39-F53 AromaticContact CD2-CE1 3.91Å; F39-F53 HydrophobicContact CD2-CE1 3.91Å; F39-F53 HydrophobicContact CD2-CZ 4.46Å; F39-F53 HydrophobicContact CG-CE1 4.35Å; F39-F53 HydrophobicContact CG-CZ 4.47Å; A40-F53 HydrophobicContact CB-CD2 3.9Å; A40-F53 HydrophobicContact CB-CE2 4.44Å; A51-F53 HydrophobicContact CB-CE2 4.47Å; F53-F87 HydrophobicContact CD1-CB 3.75Å; F53-F87 AromaticContact CD1-CD2 3.91Å; F53-F87 HydrophobicContact CD1-CD2 3.91Å; F53-F87 AromaticContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CE1-CB 4.25Å; F53-F87 HydrophobicContact CE1-CD1 4.44Å; F53-F87 AromaticContact CE1-CD2 3.68Å; F53-F87 HydrophobicContact CE1-CD2 3.68Å; F53-F87 HydrophobicContact CE1-CE2 4.09Å; F53-F87 AromaticContact CE1-CG 3.88Å; F53-F87 HydrophobicContact CE1-CG 3.88Å; F53-F87 HydrophobicContact CG-CB 4.48Å; F53-F87 HydrophobicContact CZ-CD2 4.17Å; F53-F87 HydrophobicContact CZ-CE2 4.28Å; F53-C174 WeakPolarHBondContact CZ-SG 3.33Å
54I98.1Very high96.1Very high4 Ų441.9 Ų41.92%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-86.7120.5-179.1-61.8-172.5000108.1F36 V58 T59 I62 L78 L80 V86 F87 L88F36-I54 WeakPolarHBondContact CD2-O 3.49Å; F36-I54 WeakPolarHBondContact CE2-O 3.42Å; I54-V58 HydrophobicContact CG2-CB 3.62Å; I54-V58 HydrophobicContact CG2-CG1 3.37Å; I54-T59 WeakPolarHBondContact CG2-OG1 3.35Å; I54-T59 PolarHBondContact O-OG1 3.08Å; I54-I62 HydrophobicContact CD1-CD1 4.39Å; I54-I62 HydrophobicContact CG2-CD1 4.24Å; I54-L78 HydrophobicContact CD1-CD1 4.1Å; I54-L80 HydrophobicContact CD1-CD2 4.25Å; I54-V86 HydrophobicContact CD1-CG1 3.47Å; I54-V86 VanDerWaalsContact CD1-CG1 3.47Å; I54-V86 HydrophobicContact CG1-CG1 4Å; I54-F87 WeakPolarHBondContact CB-O 3.26Å; I54-F87 PolarHBondContact N-O 2.69Å; I54-L88 HydrophobicContact CB-CD2 4.25Å; I54-L88 HydrophobicContact CB-CG 4.02Å; I54-L88 HydrophobicContact CD1-CD2 3.78Å; I54-L88 HydrophobicContact CD1-CG 4Å; I54-L88 HydrophobicContact CG1-CG 4.33Å; I54-L88 HydrophobicContact CG2-CD2 4.25Å
55S96.7Very high95.9Very high29 Ų2942.4 Ų42.420%0.20323%0.234CC..  trans-59.4159.9-177.788.20000112.1E57 V58 T59S55-E57 VanDerWaalsContact C-N 3.26Å; S55-E57 WeakPolarHBondContact CB-OE2 3.32Å; S55-E57 PolarHBondContact O-N 2.89Å; S55-E57 PolarHBondContact OG-N 3.17Å; S55-E57 PolarHBondContact OG-OE2 2.94Å; S55-V58 PolarHBondContact O-N 3.5Å; S55-V58 WeakPolarHBondContact OG-CG2 3.49Å; S55-V58 PolarHBondContact OG-N 2.95Å; S55-T59 WeakPolarHBondContact O-CB 3.46Å; S55-T59 PolarHBondContact O-N 3Å; S55-T59 PolarHBondContact O-OG1 3.06Å
56P97.8Very high95.7Very high4 Ų439 Ų393%0.02624%0.238CC..Hα-helixtrans-54.9-39.7175.9-26.936.2000113.7D29 I32 T59 Q60 A89 W103D29-P56 HydrophobicContact CB-CB 3.73Å; D29-P56 HydrophobicContact CB-CG 4.14Å; I32-P56 HydrophobicContact CB-CG 3.89Å; I32-P56 HydrophobicContact CG2-CG 3.82Å; P56-T59 PolarHBondContact O-N 2.89Å; P56-Q60 WeakPolarHBondContact O-CB 3.22Å; P56-Q60 PolarHBondContact O-N 3.33Å; P56-A89 HydrophobicContact CB-CB 4.4Å; P56-A89 HydrophobicContact CG-CB 3.97Å; P56-W103 HydrophobicContact CB-CH2 3.71Å; P56-W103 HydrophobicContact CB-CZ3 3.84Å; P56-W103 HydrophobicContact CG-CH2 4.44Å; P56-W103 HydrophobicContact CG-CZ3 4.46Å
57E95.4Very high95.5Very high77 Ų7736 Ų3636%0.3622%0.222SC..Hα-helixtrans-67.2-45.7-179-53.783.4175.400111.4Q30 S55 T59 Q60 F61Q30-E57 PolarHBondContact NE2-OE1 2.74Å; S55-E57 VanDerWaalsContact C-N 3.26Å; S55-E57 WeakPolarHBondContact CB-OE2 3.32Å; S55-E57 PolarHBondContact O-N 2.89Å; S55-E57 PolarHBondContact OG-N 3.17Å; S55-E57 PolarHBondContact OG-OE2 2.94Å; E57-T59 VanDerWaalsContact C-N 3.32Å; E57-T59 PolarHBondContact O-N 3.33Å; E57-Q60 PolarHBondContact O-N 3.29Å; E57-F61 PolarHBondContact O-N 2.83Å
58V95.9Very high95.3Very high33 Ų3339.1 Ų39.120%0.224%0.244CC..Hα-helixtrans-65.1-39.5176.2178.70000110I54 S55 Q60 F61 I62 F74 L78I54-V58 HydrophobicContact CG2-CB 3.62Å; I54-V58 HydrophobicContact CG2-CG1 3.37Å; S55-V58 PolarHBondContact O-N 3.5Å; S55-V58 WeakPolarHBondContact OG-CG2 3.49Å; S55-V58 PolarHBondContact OG-N 2.95Å; V58-Q60 PolarHBondContact O-N 3.23Å; V58-F61 WeakPolarHBondContact O-CB 3.38Å; V58-F61 PolarHBondContact O-N 3.28Å; V58-I62 HydrophobicContact CG1-CD1 4.31Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.46Å; V58-I62 PolarHBondContact O-N 2.87Å; V58-F74 HydrophobicContact CB-CE1 4.4Å; V58-F74 HydrophobicContact CG1-CE1 3.69Å; V58-F74 HydrophobicContact CG1-CZ 4.28Å; V58-F74 HydrophobicContact CG2-CE1 4.4Å; V58-F74 HydrophobicContact CG2-CZ 4.19Å; V58-L78 HydrophobicContact CG1-CD1 4.43Å
59T97.6Very high95.2Very high1 Ų143 Ų431%0.00625%0.254CS..Hα-helixtrans-63.2-42175.2-56.80000111.8I54 S55 P56 E57 I62 K63 L88 A89 I132I54-T59 WeakPolarHBondContact CG2-OG1 3.35Å; I54-T59 PolarHBondContact O-OG1 3.08Å; S55-T59 WeakPolarHBondContact O-CB 3.46Å; S55-T59 PolarHBondContact O-N 3Å; S55-T59 PolarHBondContact O-OG1 3.06Å; P56-T59 PolarHBondContact O-N 2.89Å; E57-T59 VanDerWaalsContact C-N 3.32Å; E57-T59 PolarHBondContact O-N 3.33Å; T59-I62 PolarHBondContact O-N 2.89Å; T59-K63 PolarHBondContact O-N 2.99Å; T59-L88 HydrophobicContact CG2-CB 3.93Å; T59-L88 HydrophobicContact CG2-CD2 4.28Å; T59-A89 VanDerWaalsContact CB-O 3.32Å; T59-A89 WeakPolarHBondContact CB-O 3.46Å; T59-A89 WeakPolarHBondContact CG2-O 3.4Å; T59-I132 HydrophobicContact CG2-CD1 3.6Å; T59-I132 HydrophobicContact CG2-CG1 4.39Å; T59-I132 HydrophobicContact CG2-CG2 4.5Å
60Q96.3Very high95.1Very high45 Ų4542.3 Ų42.321%0.2125%0.247CC..Hα-helixtrans-65.4-41175.8-17666.24.700111.6P56 E57 V58 K63 C64 N93P56-Q60 WeakPolarHBondContact O-CB 3.22Å; P56-Q60 PolarHBondContact O-N 3.33Å; E57-Q60 PolarHBondContact O-N 3.29Å; V58-Q60 PolarHBondContact O-N 3.23Å; Q60-K63 WeakPolarHBondContact O-CB 3.49Å; Q60-K63 PolarHBondContact O-N 3.36Å; Q60-C64 WeakPolarHBondContact O-CB 3.36Å; Q60-C64 PolarHBondContact O-N 3.09Å; Q60-C64 PolarHBondContact O-SG 2.99Å; Q60-N93 PolarHBondContact NE2-O 2.71Å
61F95.3Very high95Very high54 Ų5441.4 Ų41.424%0.23724%0.239CC..Hα-helixtrans-57.5-50.3173.7173.3-94.9000111.1E57 V58 K63 C64 A65 E70 L71 F74E57-F61 PolarHBondContact O-N 2.83Å; V58-F61 WeakPolarHBondContact O-CB 3.38Å; V58-F61 PolarHBondContact O-N 3.28Å; F61-K63 VanDerWaalsContact C-N 3.3Å; F61-K63 PolarHBondContact O-N 3.26Å; F61-C64 PolarHBondContact O-N 3.04Å; F61-C64 VanDerWaalsContact O-N 3.11Å; F61-A65 HydrophobicContact CE1-CB 4.46Å; F61-A65 HydrophobicContact CZ-CB 4.45Å; F61-A65 WeakPolarHBondContact O-CB 3.33Å; F61-A65 PolarHBondContact O-N 3.29Å; F61-E70 HydrophobicContact CZ-CG 4.31Å; F61-L71 HydrophobicContact CD1-CD1 4.2Å; F61-L71 HydrophobicContact CE1-CD1 3.79Å; F61-F74 HydrophobicContact CB-CE1 4.34Å; F61-F74 AromaticContact CD1-CD1 3.24Å; F61-F74 HydrophobicContact CD1-CD1 3.24Å; F61-F74 AromaticContact CD1-CE1 3.3Å; F61-F74 HydrophobicContact CD1-CE1 3.3Å; F61-F74 AromaticContact CD1-CG 3.92Å; F61-F74 HydrophobicContact CD1-CG 3.92Å; F61-F74 HydrophobicContact CD1-CZ 4.12Å; F61-F74 HydrophobicContact CE1-CB 3.63Å; F61-F74 AromaticContact CE1-CD1 3.19Å; F61-F74 HydrophobicContact CE1-CD1 3.19Å; F61-F74 HydrophobicContact CE1-CD2 4.26Å; F61-F74 AromaticContact CE1-CE1 3.77Å; F61-F74 HydrophobicContact CE1-CE1 3.77Å; F61-F74 AromaticContact CE1-CG 3.44Å; F61-F74 HydrophobicContact CE1-CG 3.44Å; F61-F74 VanDerWaalsContact CE1-CG 3.44Å; F61-F74 HydrophobicContact CG-CD1 4.25Å; F61-F74 AromaticContact CG-CE1 3.95Å; F61-F74 HydrophobicContact CG-CE1 3.95Å; F61-F74 HydrophobicContact CG-CZ 4.4Å; F61-F74 HydrophobicContact CZ-CB 4.06Å; F61-F74 HydrophobicContact CZ-CD1 4.17Å; F61-F74 HydrophobicContact CZ-CG 4.02Å
62I96.3Very high94.9Very high0 Ų042.6 Ų42.60%025%0.248CC..Hα-helixtrans-54.1-49.9175.6-66158.9000109.9I54 V58 T59 C64 L71 L75 L88 I132 K135 L136I54-I62 HydrophobicContact CD1-CD1 4.39Å; I54-I62 HydrophobicContact CG2-CD1 4.24Å; V58-I62 HydrophobicContact CG1-CD1 4.31Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.46Å; V58-I62 PolarHBondContact O-N 2.87Å; T59-I62 PolarHBondContact O-N 2.89Å; I62-C64 VanDerWaalsContact C-N 3.28Å; I62-C64 PolarHBondContact O-N 3.44Å; I62-L71 HydrophobicContact CB-CD1 4.42Å; I62-L71 HydrophobicContact CG1-CD1 4.07Å; I62-L75 HydrophobicContact CD1-CD2 3.84Å; I62-L75 HydrophobicContact CG1-CD2 3.87Å; I62-L88 HydrophobicContact CD1-CD2 4.14Å; I62-I132 HydrophobicContact CG2-CG2 4.12Å; I62-K135 HydrophobicContact CG2-CB 4.13Å; I62-K135 WeakPolarHBondContact O-CD 3.45Å; I62-K135 PolarHBondContact O-NZ 2.84Å; I62-L136 HydrophobicContact CD1-CD1 4.06Å
63K95.9Very high94.6Very high1 Ų147.3 Ų47.30%0.00427%0.273CS..Hα-helixtrans-57.9-38.7-179.8-166.7-18078.2-167.70112.8T59 Q60 F61 N91 N93 H128 R131 I132 K135T59-K63 PolarHBondContact O-N 2.99Å; Q60-K63 WeakPolarHBondContact O-CB 3.49Å; Q60-K63 PolarHBondContact O-N 3.36Å; F61-K63 VanDerWaalsContact C-N 3.3Å; F61-K63 PolarHBondContact O-N 3.26Å; K63-N91 PolarHBondContact NZ-O 3.36Å; K63-N93 VanDerWaalsContact CE-O 3.3Å; K63-N93 WeakPolarHBondContact CE-O 3.18Å; K63-N93 PolarHBondContact NZ-O 2.82Å; K63-H128 HydrophobicContact CD-CB 4Å; K63-R131 HydrophobicContact CG-CG 4.48Å; K63-R131 PolarHBondContact O-NE 3.29Å; K63-R131 VanDerWaalsContact O-NE 3.09Å; K63-I132 HydrophobicContact CB-CD1 4.17Å; K63-I132 HydrophobicContact CB-CG1 3.67Å; K63-I132 HydrophobicContact CD-CD1 4.22Å; K63-I132 HydrophobicContact CD-CG1 4.36Å; K63-I132 HydrophobicContact CG-CD1 4.31Å; K63-I132 HydrophobicContact CG-CG1 3.9Å; K63-K135 VanDerWaalsContact C-NZ 3.26Å; K63-K135 PolarHBondContact O-NZ 2.5Å
64C93.9Very high94.4Very high62 Ų6250.5 Ų50.542%0.41929%0.288SS..Hα-helixtrans-92.6-25.6-173.3-69.40000114.8Q60 F61 I62 S66Q60-C64 WeakPolarHBondContact O-CB 3.36Å; Q60-C64 PolarHBondContact O-N 3.09Å; Q60-C64 PolarHBondContact O-SG 2.99Å; F61-C64 PolarHBondContact O-N 3.04Å; F61-C64 VanDerWaalsContact O-N 3.11Å; I62-C64 VanDerWaalsContact C-N 3.28Å; I62-C64 PolarHBondContact O-N 3.44Å; C64-S66 PolarHBondContact O-N 2.99Å
65A92.8Very high94.3Very high14 Ų1450.6 Ų50.612%0.11629%0.288CS..  trans-49.9121.1-174.900000113.5F61 L71 K135F61-A65 HydrophobicContact CE1-CB 4.46Å; F61-A65 HydrophobicContact CZ-CB 4.45Å; F61-A65 WeakPolarHBondContact O-CB 3.33Å; F61-A65 PolarHBondContact O-N 3.29Å; A65-L71 HydrophobicContact CB-CB 4.17Å; A65-L71 HydrophobicContact CB-CD1 4.07Å; A65-L71 HydrophobicContact CB-CD2 4.39Å; A65-L71 HydrophobicContact CB-CG 4.45Å; A65-K135 VanDerWaalsContact O-CE 3.29Å; A65-K135 WeakPolarHBondContact O-CE 3.37Å; A65-K135 PolarHBondContact O-NZ 3.35Å
66S90.6Very high94.1Very high116 Ų11656 Ų5681%0.81131%0.31SS*.  trans-94-24.6178.650.40000112.6C64 P68C64-S66 PolarHBondContact O-N 2.99Å; S66-P68 WeakPolarHBondContact O-CD 3.39Å
67C92.3Very high94Very high49 Ų4960.7 Ų60.733%0.33134%0.341SS..  trans-96.9115.5-179.8-174.90000110.7D69 E70 L71C67-D69 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 3.49Å; C67-E70 HydrophobicContact CB-CB 3.86Å; C67-L71 PolarHBondContact O-N 2.89Å; C67-L71 VanDerWaalsContact O-N 3.14Å
68P90.1Very high94Very high90 Ų9058.8 Ų58.858%0.58433%0.333SS*.Hα-helixtrans-61.9-35.5177.2-25.235.9000113.9S66 L71 A72S66-P68 WeakPolarHBondContact O-CD 3.39Å; P68-L71 PolarHBondContact O-N 2.71Å; P68-A72 WeakPolarHBondContact O-CB 3.45Å; P68-A72 PolarHBondContact O-N 3.05Å
69D91.6Very high94Very high123 Ų12360.9 Ų60.966%0.65834%0.343SS*.Hα-helixtrans-70.4-40.2-178-62.1-26.6000111.7C67 L71 A72 L73C67-D69 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 3.49Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-A72 WeakPolarHBondContact O-CB 3.25Å; D69-A72 PolarHBondContact O-N 2.79Å; D69-L73 WeakPolarHBondContact O-CG 3.44Å; D69-L73 PolarHBondContact O-N 2.89Å; D69-L73 VanDerWaalsContact O-N 3.08Å
70E91.8Very high93.9Very high105 Ų10561 Ų6149%0.49134%0.343SS..Hα-helixtrans-63.5-43.4173.6-172.7-172168.800110.9F61 C67 A72 L73 F74F61-E70 HydrophobicContact CZ-CG 4.31Å; C67-E70 HydrophobicContact CB-CB 3.86Å; E70-A72 VanDerWaalsContact C-N 3.29Å; E70-A72 PolarHBondContact O-N 2.97Å; E70-L73 PolarHBondContact O-N 2.84Å; E70-F74 WeakPolarHBondContact O-CB 3.47Å; E70-F74 PolarHBondContact O-N 2.85Å
71L93.8Very high93.9Very high8 Ų862.3 Ų62.34%0.04236%0.356CS..Hα-helixtrans-61.2-40.4175.4-17761.2000111.3F61 I62 A65 C67 P68 D69 F74 L75 K135 F139F61-L71 HydrophobicContact CD1-CD1 4.2Å; F61-L71 HydrophobicContact CE1-CD1 3.79Å; I62-L71 HydrophobicContact CB-CD1 4.42Å; I62-L71 HydrophobicContact CG1-CD1 4.07Å; A65-L71 HydrophobicContact CB-CB 4.17Å; A65-L71 HydrophobicContact CB-CD1 4.07Å; A65-L71 HydrophobicContact CB-CD2 4.39Å; A65-L71 HydrophobicContact CB-CG 4.45Å; C67-L71 PolarHBondContact O-N 2.89Å; C67-L71 VanDerWaalsContact O-N 3.14Å; P68-L71 PolarHBondContact O-N 2.71Å; D69-L71 VanDerWaalsContact C-N 3.35Å; L71-F74 PolarHBondContact O-N 3.44Å; L71-L75 HydrophobicContact CD1-CD1 3.73Å; L71-L75 HydrophobicContact CD1-CD2 4.47Å; L71-L75 HydrophobicContact CD1-CG 3.92Å; L71-L75 HydrophobicContact CD2-CD1 4.45Å; L71-L75 HydrophobicContact CG-CD1 3.78Å; L71-L75 HydrophobicContact CG-CG 4.29Å; L71-L75 WeakPolarHBondContact O-CB 3.41Å; L71-L75 VanDerWaalsContact O-CG 3.23Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.41Å; L71-K135 HydrophobicContact CD2-CB 4.15Å; L71-F139 HydrophobicContact CD2-CE2 3.8Å; L71-F139 HydrophobicContact CD2-CZ 4.36Å; L71-F139 HydrophobicContact CG-CE2 3.97Å; L71-F139 HydrophobicContact CG-CZ 4.21Å
72A93.6Very high93.9Very high35 Ų3562.6 Ų62.629%0.28936%0.364SS..Hα-helixtrans-61.3-49.8178.200000112.2P68 D69 E70 F74 L75 E76 F139P68-A72 WeakPolarHBondContact O-CB 3.45Å; P68-A72 PolarHBondContact O-N 3.05Å; D69-A72 WeakPolarHBondContact O-CB 3.25Å; D69-A72 PolarHBondContact O-N 2.79Å; E70-A72 VanDerWaalsContact C-N 3.29Å; E70-A72 PolarHBondContact O-N 2.97Å; A72-F74 VanDerWaalsContact C-N 3.27Å; A72-F74 PolarHBondContact O-N 2.87Å; A72-L75 PolarHBondContact O-N 3.28Å; A72-E76 PolarHBondContact O-N 2.9Å; A72-F139 VanDerWaalsContact CA-CE1 3.42Å; A72-F139 HydrophobicContact CB-CE1 3.49Å; A72-F139 VanDerWaalsContact CB-CE1 3.49Å; A72-F139 HydrophobicContact CB-CZ 4.01Å
73L93.5Very high93.9Very high123 Ų12364 Ų6464%0.64437%0.37SS*.Hα-helixtrans-60.7-37.8178.2-69.2171.2000111.9D69 E70 P77D69-L73 WeakPolarHBondContact O-CG 3.44Å; D69-L73 PolarHBondContact O-N 2.89Å; D69-L73 VanDerWaalsContact O-N 3.08Å; E70-L73 PolarHBondContact O-N 2.84Å; L73-P77 WeakPolarHBondContact O-CD 3.14Å
74F93.9Very high93.9Very high88 Ų8870.6 Ų70.639%0.38639%0.394SS..Hα-helixtrans-73.5-32.6179.4-173.3-103.4000113.3V58 F61 E70 L71 A72 P77V58-F74 HydrophobicContact CB-CE1 4.4Å; V58-F74 HydrophobicContact CG1-CE1 3.69Å; V58-F74 HydrophobicContact CG1-CZ 4.28Å; V58-F74 HydrophobicContact CG2-CE1 4.4Å; V58-F74 HydrophobicContact CG2-CZ 4.19Å; F61-F74 HydrophobicContact CB-CE1 4.34Å; F61-F74 AromaticContact CD1-CD1 3.24Å; F61-F74 HydrophobicContact CD1-CD1 3.24Å; F61-F74 AromaticContact CD1-CE1 3.3Å; F61-F74 HydrophobicContact CD1-CE1 3.3Å; F61-F74 AromaticContact CD1-CG 3.92Å; F61-F74 HydrophobicContact CD1-CG 3.92Å; F61-F74 HydrophobicContact CD1-CZ 4.12Å; F61-F74 HydrophobicContact CE1-CB 3.63Å; F61-F74 AromaticContact CE1-CD1 3.19Å; F61-F74 HydrophobicContact CE1-CD1 3.19Å; F61-F74 HydrophobicContact CE1-CD2 4.26Å; F61-F74 AromaticContact CE1-CE1 3.77Å; F61-F74 HydrophobicContact CE1-CE1 3.77Å; F61-F74 AromaticContact CE1-CG 3.44Å; F61-F74 HydrophobicContact CE1-CG 3.44Å; F61-F74 VanDerWaalsContact CE1-CG 3.44Å; F61-F74 HydrophobicContact CG-CD1 4.25Å; F61-F74 AromaticContact CG-CE1 3.95Å; F61-F74 HydrophobicContact CG-CE1 3.95Å; F61-F74 HydrophobicContact CG-CZ 4.4Å; F61-F74 HydrophobicContact CZ-CB 4.06Å; F61-F74 HydrophobicContact CZ-CD1 4.17Å; F61-F74 HydrophobicContact CZ-CG 4.02Å; E70-F74 WeakPolarHBondContact O-CB 3.47Å; E70-F74 PolarHBondContact O-N 2.85Å; L71-F74 PolarHBondContact O-N 3.44Å; A72-F74 VanDerWaalsContact C-N 3.27Å; A72-F74 PolarHBondContact O-N 2.87Å; F74-P77 WeakPolarHBondContact O-CD 3.44Å
75L94.6Very high94.1Very high5 Ų568.6 Ų68.63%0.02638%0.378CS..Hα-helixtrans-86.3-18.4-180-65.8179.5000113.7I62 L71 A72 L78 L80 L136 F139I62-L75 HydrophobicContact CD1-CD2 3.84Å; I62-L75 HydrophobicContact CG1-CD2 3.87Å; L71-L75 HydrophobicContact CD1-CD1 3.73Å; L71-L75 HydrophobicContact CD1-CD2 4.47Å; L71-L75 HydrophobicContact CD1-CG 3.92Å; L71-L75 HydrophobicContact CD2-CD1 4.45Å; L71-L75 HydrophobicContact CG-CD1 3.78Å; L71-L75 HydrophobicContact CG-CG 4.29Å; L71-L75 WeakPolarHBondContact O-CB 3.41Å; L71-L75 VanDerWaalsContact O-CG 3.23Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.41Å; A72-L75 PolarHBondContact O-N 3.28Å; L75-L78 HydrophobicContact CD2-CD1 3.58Å; L75-L78 WeakPolarHBondContact O-CB 3.45Å; L75-L78 PolarHBondContact O-N 3.28Å; L75-L80 HydrophobicContact CB-CD1 4.48Å; L75-L80 HydrophobicContact CD1-CD1 4.38Å; L75-L80 HydrophobicContact CD2-CD1 4.45Å; L75-L136 HydrophobicContact CD1-CD1 4.02Å; L75-L136 HydrophobicContact CD2-CD1 4.43Å; L75-F139 HydrophobicContact CD1-CB 4.24Å; L75-F139 HydrophobicContact CD1-CD1 4.38Å; L75-F139 HydrophobicContact CD1-CD2 3.5Å; L75-F139 VanDerWaalsContact CD1-CD2 3.5Å; L75-F139 HydrophobicContact CD1-CE2 3.9Å; L75-F139 HydrophobicContact CD1-CG 3.76Å; L75-F139 HydrophobicContact CD1-CZ 4.5Å
76E94.1Very high94.3Very high143 Ų14368 Ų6867%0.66837%0.373SS*.G310 helixtrans-52.2-47.2179.8177.6178.1-14400113.1A72 L78 D79A72-E76 PolarHBondContact O-N 2.9Å; E76-L78 PolarHBondContact O-N 2.98Å; E76-L78 VanDerWaalsContact O-N 3.12Å; E76-D79 PolarHBondContact O-N 2.91Å; E76-D79 VanDerWaalsContact O-N 3.14Å
77P94.6Very high94.7Very high103 Ų10362.5 Ų62.567%0.66933%0.334SS*.G310 helixtrans-64.4-18.8179.1-22.134.8000114.5L73 F74 D79L73-P77 WeakPolarHBondContact O-CD 3.14Å; F74-P77 WeakPolarHBondContact O-CD 3.44Å; P77-D79 PolarHBondContact O-N 3.32Å
78L95.3Very high95Very high37 Ų3760.1 Ų60.119%0.19432%0.318CS..G310 helixtrans-75.5-16.1179.9-55.5-175.6000112.3I52 I54 V58 L75 E76 L80 R83I52-L78 HydrophobicContact CD1-CB 3.94Å; I52-L78 HydrophobicContact CD1-CD2 4.02Å; I52-L78 HydrophobicContact CD1-CG 4.46Å; I54-L78 HydrophobicContact CD1-CD1 4.1Å; V58-L78 HydrophobicContact CG1-CD1 4.43Å; L75-L78 HydrophobicContact CD2-CD1 3.58Å; L75-L78 WeakPolarHBondContact O-CB 3.45Å; L75-L78 PolarHBondContact O-N 3.28Å; E76-L78 PolarHBondContact O-N 2.98Å; E76-L78 VanDerWaalsContact O-N 3.12Å; L78-L80 HydrophobicContact CB-CD2 3.76Å; L78-L80 HydrophobicContact CB-CG 3.99Å; L78-L80 HydrophobicContact CD1-CD2 4.26Å; L78-L80 PolarHBondContact O-N 2.92Å; L78-R83 PolarHBondContact O-NE 3.48Å; L78-R83 PolarHBondContact O-NH2 2.86Å
79D95.9Very high95.4Very high77 Ų7755.9 Ų55.941%0.41229%0.291SS..THydrogen-bonded Turntrans46.645.8-177.6-173.224.8000112.2E76 P77 P81 S82 R83E76-D79 PolarHBondContact O-N 2.91Å; E76-D79 VanDerWaalsContact O-N 3.14Å; P77-D79 PolarHBondContact O-N 3.32Å; D79-P81 VanDerWaalsContact O-N 3.14Å; D79-S82 PolarHBondContact O-N 3.14Å; D79-S82 PolarHBondContact O-OG 3.37Å; D79-S82 WeakPolarHBondContact OD2-CB 3.34Å; D79-S82 PolarHBondContact OD2-OG 2.8Å; D79-R83 WeakPolarHBondContact O-CG 3.49Å
80L96.2Very high95.7Very high3 Ų350 Ų502%0.01626%0.26CS..G310 helixtrans-50.9-37.1-177.6-58.9-179.6000113.8I52 I54 L75 L78 S82 R83 V86 R110 L136 F139 L140I52-L80 HydrophobicContact CG2-CD2 4.41Å; I54-L80 HydrophobicContact CD1-CD2 4.25Å; L75-L80 HydrophobicContact CB-CD1 4.48Å; L75-L80 HydrophobicContact CD1-CD1 4.38Å; L75-L80 HydrophobicContact CD2-CD1 4.45Å; L78-L80 HydrophobicContact CB-CD2 3.76Å; L78-L80 HydrophobicContact CB-CG 3.99Å; L78-L80 HydrophobicContact CD1-CD2 4.26Å; L78-L80 PolarHBondContact O-N 2.92Å; L80-S82 VanDerWaalsContact C-N 3.26Å; L80-S82 PolarHBondContact O-N 3.09Å; L80-R83 PolarHBondContact O-N 2.8Å; L80-R83 VanDerWaalsContact O-N 3.14Å; L80-V86 HydrophobicContact CD2-CG1 4.2Å; L80-V86 HydrophobicContact CD2-CG2 4.3Å; L80-R110 PolarHBondContact O-NH2 2.87Å; L80-L136 HydrophobicContact CD1-CD1 3.46Å; L80-L136 VanDerWaalsContact CD1-CD1 3.46Å; L80-L136 HydrophobicContact CD1-CG 4.02Å; L80-F139 HydrophobicContact CD1-CB 4.13Å; L80-L140 HydrophobicContact CB-CD2 4.18Å
81P95.6Very high96Very high73 Ų7345.6 Ų45.647%0.47424%0.239SC..G310 helixtrans-51.2-37.9173.7-31.140.1000114.8D79 R110 F139D79-P81 VanDerWaalsContact O-N 3.14Å; P81-R110 VanDerWaalsContact C-NH2 3.33Å; P81-R110 PolarHBondContact O-NE 2.89Å; P81-R110 PolarHBondContact O-NH2 2.94Å; P81-F139 WeakPolarHBondContact CD-O 3.41Å
82S95.1Very high96.1Very high59 Ų5946.3 Ų46.341%0.41324%0.243SC..G310 helixtrans-82.7-19.3-178.975.60000113.8D79 L80D79-S82 PolarHBondContact O-N 3.14Å; D79-S82 PolarHBondContact O-OG 3.37Å; D79-S82 WeakPolarHBondContact OD2-CB 3.34Å; D79-S82 PolarHBondContact OD2-OG 2.8Å; L80-S82 VanDerWaalsContact C-N 3.26Å; L80-S82 PolarHBondContact O-N 3.09Å
83R96.5Very high96.2Very high31 Ų3145.5 Ų45.512%0.11723%0.234CC..  trans-72.7133.8-177.5-47.5-55.3-178.1175.4-1.9111.3D49 I52 L78 D79 L80 V86 R110D49-R83 VanDerWaalsContact CB-NH1 3.33Å; D49-R83 WeakPolarHBondContact O-CD 3.3Å; D49-R83 PolarHBondContact O-NH1 3.31Å; D49-R83 IonicContact OD1-CZ 2.83Å; D49-R83 IonicContact OD1-NH1 3.08Å; D49-R83 PolarHBondContact OD1-NH1 3.49Å; I52-R83 HydrophobicContact CB-CG 4.19Å; I52-R83 HydrophobicContact CG2-CB 4.16Å; I52-R83 HydrophobicContact CG2-CG 3.78Å; L78-R83 PolarHBondContact O-NE 3.48Å; L78-R83 PolarHBondContact O-NH2 2.86Å; D79-R83 WeakPolarHBondContact O-CG 3.49Å; L80-R83 PolarHBondContact O-N 2.8Å; L80-R83 VanDerWaalsContact O-N 3.14Å; R83-V86 HydrophobicContact CB-CG2 3.93Å; R83-R110 PolarHBondContact O-NE 2.82Å
84R96Very high95.9Very high139 Ų13943.2 Ų43.253%0.52523%0.228SC..SBendtrans-84.5-35.4173.5-59.2-174.488.7-172.86.4111.8A50 R110A50-R84 HydrophobicContact CB-CB 4.3Å; A50-R84 HydrophobicContact CB-CG 4.07Å; A50-R84 WeakPolarHBondContact O-CA 3.08Å; A50-R84 WeakPolarHBondContact O-CB 3.41Å; A50-R84 PolarHBondContact O-N 3.46Å; R84-R110 WeakPolarHBondContact O-CB 3.46Å; R84-R110 PolarHBondContact O-N 2.85Å
85W97.6Very high95.1Very high20 Ų2044.4 Ų44.48%0.07624%0.239CC..EExtended strand (participates in β ladder)trans-131.3127.6-179.6-54.8-75.1000110.2A50 A51 I52 F87 L107 Y108 V177A50-W85 HydrophobicContact CB-CE3 4.01Å; A50-W85 HydrophobicContact CB-CZ3 3.64Å; A50-W85 PolarHBondContact O-N 2.94Å; A51-W85 WeakPolarHBondContact CA-O 3.32Å; A51-W85 HydrophobicContact CB-CB 4.37Å; A51-W85 HydrophobicContact CB-CE3 4.22Å; I52-W85 PolarHBondContact N-O 3.49Å; W85-F87 HydrophobicContact CB-CD2 4.43Å; W85-F87 HydrophobicContact CB-CE2 3.75Å; W85-F87 HydrophobicContact CB-CZ 4.39Å; W85-L107 HydrophobicContact CB-CD1 4.1Å; W85-Y108 WeakPolarHBondContact CA-O 3.3Å; W85-V177 HydrophobicContact CD2-CG1 4.1Å; W85-V177 HydrophobicContact CD2-CG2 4.37Å; W85-V177 HydrophobicContact CE3-CG1 4.04Å; W85-V177 HydrophobicContact CH2-CG1 3.34Å; W85-V177 HydrophobicContact CZ2-CB 4.45Å; W85-V177 HydrophobicContact CZ2-CG1 3.4Å; W85-V177 VanDerWaalsContact CZ2-CG1 3.4Å; W85-V177 HydrophobicContact CZ2-CG2 4.17Å; W85-V177 HydrophobicContact CZ3-CG1 3.67Å
86V98.3Very high94Very high0 Ų054.1 Ų54.10%028%0.284CS..EExtended strand (participates in β ladder)trans-123.1112.5176.7-173.70000107.6I52 I54 L80 R83 L88 L107 Y108 L136I52-V86 HydrophobicContact CG2-CB 3.99Å; I52-V86 HydrophobicContact CG2-CG1 3.73Å; I52-V86 HydrophobicContact CG2-CG2 3.85Å; I54-V86 HydrophobicContact CD1-CG1 3.47Å; I54-V86 VanDerWaalsContact CD1-CG1 3.47Å; I54-V86 HydrophobicContact CG1-CG1 4Å; L80-V86 HydrophobicContact CD2-CG1 4.2Å; L80-V86 HydrophobicContact CD2-CG2 4.3Å; R83-V86 HydrophobicContact CB-CG2 3.93Å; V86-L88 HydrophobicContact CB-CD1 4.45Å; V86-L88 HydrophobicContact CG1-CD1 3.81Å; V86-L88 HydrophobicContact CG1-CG 4.28Å; V86-L107 CarbonylContact O-C 3.59Å; V86-L107 WeakPolarHBondContact O-CA 3.44Å; V86-Y108 HydrophobicContact CG2-CD1 4.17Å; V86-Y108 PolarHBondContact N-O 3.38Å; V86-Y108 VanDerWaalsContact N-O 3.09Å; V86-Y108 PolarHBondContact O-N 2.81Å; V86-L136 HydrophobicContact CG1-CD2 4.33Å
87F98.7Very high93.5Very high1 Ų152 Ų520%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-98133178-63.7-95.5000109.6F36 I52 F53 I54 W85 L105 L107 A170 L173 C174F36-F87 HydrophobicContact CE2-CB 4.46Å; I52-F87 PolarHBondContact O-N 2.85Å; F53-F87 HydrophobicContact CD1-CB 3.75Å; F53-F87 AromaticContact CD1-CD2 3.91Å; F53-F87 HydrophobicContact CD1-CD2 3.91Å; F53-F87 AromaticContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CE1-CB 4.25Å; F53-F87 HydrophobicContact CE1-CD1 4.44Å; F53-F87 AromaticContact CE1-CD2 3.68Å; F53-F87 HydrophobicContact CE1-CD2 3.68Å; F53-F87 HydrophobicContact CE1-CE2 4.09Å; F53-F87 AromaticContact CE1-CG 3.88Å; F53-F87 HydrophobicContact CE1-CG 3.88Å; F53-F87 HydrophobicContact CG-CB 4.48Å; F53-F87 HydrophobicContact CZ-CD2 4.17Å; F53-F87 HydrophobicContact CZ-CE2 4.28Å; I54-F87 WeakPolarHBondContact CB-O 3.26Å; I54-F87 PolarHBondContact N-O 2.69Å; W85-F87 HydrophobicContact CB-CD2 4.43Å; W85-F87 HydrophobicContact CB-CE2 3.75Å; W85-F87 HydrophobicContact CB-CZ 4.39Å; F87-L105 HydrophobicContact CB-CD1 4.49Å; F87-L105 HydrophobicContact CD1-CD1 4.39Å; F87-L105 HydrophobicContact CD1-CD2 4.44Å; F87-L107 HydrophobicContact CD1-CB 4.49Å; F87-L107 HydrophobicContact CD1-CD1 3.89Å; F87-L107 HydrophobicContact CD2-CD1 4.16Å; F87-L107 HydrophobicContact CE1-CD1 3.7Å; F87-L107 HydrophobicContact CE1-CD2 4.08Å; F87-L107 HydrophobicContact CE1-CG 4.33Å; F87-L107 HydrophobicContact CE2-CD1 3.98Å; F87-L107 HydrophobicContact CG-CD1 4.12Å; F87-L107 HydrophobicContact CZ-CD1 3.74Å; F87-L107 HydrophobicContact CZ-CD2 4.39Å; F87-A170 HydrophobicContact CD1-CB 4.32Å; F87-L173 HydrophobicContact CE1-CB 4.03Å; F87-L173 HydrophobicContact CE1-CD1 4.22Å; F87-L173 HydrophobicContact CZ-CB 4.44Å; F87-C174 VanDerWaalsContact CZ-SG 3.51Å
88L98.8Very high93Very high0 Ų052 Ų520%029%0.29CS..EExtended strand (participates in β ladder)trans-134.1132.2179.1-52.695.3000110.3I54 T59 I62 V86 L106 I132 L136I54-L88 HydrophobicContact CB-CD2 4.25Å; I54-L88 HydrophobicContact CB-CG 4.02Å; I54-L88 HydrophobicContact CD1-CD2 3.78Å; I54-L88 HydrophobicContact CD1-CG 4Å; I54-L88 HydrophobicContact CG1-CG 4.33Å; I54-L88 HydrophobicContact CG2-CD2 4.25Å; T59-L88 HydrophobicContact CG2-CB 3.93Å; T59-L88 HydrophobicContact CG2-CD2 4.28Å; I62-L88 HydrophobicContact CD1-CD2 4.14Å; V86-L88 HydrophobicContact CB-CD1 4.45Å; V86-L88 HydrophobicContact CG1-CD1 3.81Å; V86-L88 HydrophobicContact CG1-CG 4.28Å; L88-L106 HydrophobicContact CB-CB 4.36Å; L88-L106 HydrophobicContact CD1-CB 4.43Å; L88-L106 HydrophobicContact CD1-CD2 4.33Å; L88-L106 HydrophobicContact CD1-CG 4.34Å; L88-L106 PolarHBondContact N-O 3.3Å; L88-L106 PolarHBondContact O-N 2.78Å; L88-I132 HydrophobicContact CD2-CG2 3.82Å; L88-L136 HydrophobicContact CD1-CD2 4.18Å; L88-L136 HydrophobicContact CD2-CD2 4.13Å
89A98.4Very high92.7Very high1 Ų152.8 Ų52.81%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-85.6109.1173.200000110.1I32 F36 P56 T59 W103 V166I32-A89 HydrophobicContact CG2-CB 3.79Å; F36-A89 HydrophobicContact CE2-CB 4.05Å; F36-A89 HydrophobicContact CZ-CB 4.15Å; P56-A89 HydrophobicContact CB-CB 4.4Å; P56-A89 HydrophobicContact CG-CB 3.97Å; T59-A89 VanDerWaalsContact CB-O 3.32Å; T59-A89 WeakPolarHBondContact CB-O 3.46Å; T59-A89 WeakPolarHBondContact CG2-O 3.4Å; A89-W103 HydrophobicContact CB-CE3 4.46Å; A89-W103 HydrophobicContact CB-CZ3 4.38Å; A89-V166 HydrophobicContact CB-CG1 4.26Å
90V98.4Very high92.4Very high0 Ų050.6 Ų50.60%030%0.302CS..EExtended strand (participates in β ladder)trans-90.2132.1-176.3-175.50000110.1W103 S104 L106 N125 H128 A129 I132V90-W103 WeakPolarHBondContact O-CA 3.47Å; V90-S104 PolarHBondContact N-O 3.2Å; V90-S104 PolarHBondContact O-N 3.18Å; V90-L106 HydrophobicContact CG2-CB 3.69Å; V90-N125 WeakPolarHBondContact CG1-ND2 3.16Å; V90-N125 PolarHBondContact O-ND2 3.41Å; V90-H128 HydrophobicContact CG1-CB 3.77Å; V90-A129 HydrophobicContact CG1-CB 4.36Å; V90-A129 HydrophobicContact CG2-CB 4.31Å; V90-I132 HydrophobicContact CB-CD1 4.23Å; V90-I132 HydrophobicContact CG1-CD1 3.73Å; V90-I132 HydrophobicContact CG2-CD1 3.86Å
91N97.8Very high92.2Very high11 Ų1153.7 Ų53.76%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-115.9152171.7-163.5-91.4000110.8K63 N93 G100 H102 W103K63-N91 PolarHBondContact NZ-O 3.36Å; N91-N93 WeakPolarHBondContact OD1-CB 3.46Å; N91-N93 PolarHBondContact OD1-N 3.01Å; N91-G100 VanDerWaalsContact OD1-CA 3.23Å; N91-G100 WeakPolarHBondContact OD1-CA 3.36Å; N91-H102 WeakPolarHBondContact CA-O 3.49Å; N91-H102 PolarHBondContact ND2-O 3.49Å; N91-W103 HydrophobicContact CB-CE3 3.84Å; N91-W103 HydrophobicContact CB-CH2 3.81Å; N91-W103 HydrophobicContact CB-CZ2 4.49Å; N91-W103 HydrophobicContact CB-CZ3 3.47Å; N91-W103 VanDerWaalsContact CB-CZ3 3.47Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.09Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.44Å
92D95.8Very high92.3Very high24 Ų2450.3 Ų50.313%0.12830%0.302CS..  trans-85.4-7.2177.263.2-2.4000114.4S94 G100 S101 H102 N125 H128D92-S94 PolarHBondContact O-N 2.89Å; D92-S94 PolarHBondContact O-OG 2.88Å; D92-G100 VanDerWaalsContact OD1-CA 3.28Å; D92-G100 WeakPolarHBondContact OD1-CA 3.4Å; D92-S101 PolarHBondContact OD1-N 3.1Å; D92-S101 PolarHBondContact OD2-OG 3.01Å; D92-H102 PolarHBondContact N-O 3.04Å; D92-H102 PolarHBondContact OD1-N 2.97Å; D92-H102 WeakPolarHBondContact OD2-CB 3.5Å; D92-H102 PolarHBondContact OD2-N 3.34Å; D92-N125 WeakPolarHBondContact CA-OD1 3.38Å; D92-N125 WeakPolarHBondContact CB-OD1 3.2Å; D92-N125 PolarHBondContact N-OD1 3.4Å; D92-H128 PolarHBondContact O-CE1 3.49Å; D92-H128 PolarHBondContact O-NE2 3.4Å
93N94.8Very high92.4Very high17 Ų1748.8 Ų48.89%0.09129%0.287CS..  trans-57.8116.5-177.1-172.314.2000111.9Q60 K63 N91 N95 T97 G99Q60-N93 PolarHBondContact NE2-O 2.71Å; K63-N93 VanDerWaalsContact CE-O 3.3Å; K63-N93 WeakPolarHBondContact CE-O 3.18Å; K63-N93 PolarHBondContact NZ-O 2.82Å; N91-N93 WeakPolarHBondContact OD1-CB 3.46Å; N91-N93 PolarHBondContact OD1-N 3.01Å; N93-N95 WeakPolarHBondContact OD1-CB 3.49Å; N93-N95 PolarHBondContact OD1-N 3.49Å; N93-T97 PolarHBondContact ND2-O 2.98Å; N93-G99 WeakPolarHBondContact CB-O 3.45Å; N93-G99 PolarHBondContact ND2-N 3.42Å; N93-G99 PolarHBondContact ND2-O 2.67Å
94S86.5Confident92.5Very high76 Ų7647.4 Ų47.453%0.53128%0.282SS..  trans-110.30.7178-60.60000112.9D92 H128D92-S94 PolarHBondContact O-N 2.89Å; D92-S94 PolarHBondContact O-OG 2.88Å; S94-H128 PolarHBondContact OG-CE1 2.82Å
95N77.3Confident92.7Very high112 Ų11240.8 Ų40.860%0.59926%0.257SS*.SBendtrans-89.1160.7-176.6-62.6-26.9000110.9N93 T97N93-N95 WeakPolarHBondContact OD1-CB 3.49Å; N93-N95 PolarHBondContact OD1-N 3.49Å; N95-T97 PolarHBondContact O-N 3.39Å
96Q72.9Confident92.7Very high209 Ų20939.8 Ų39.898%0.97725%0.253SS*.SBendtrans-76.8-8.7173-63-178.530.400112.6
97T82.8Confident92.7Very high99 Ų9939.8 Ų39.861%0.60725%0.253SS*.SBendtrans-98.6156.6177.658.50000110.8N93 N95 G99N93-T97 PolarHBondContact ND2-O 2.98Å; N95-T97 PolarHBondContact O-N 3.39Å; T97-G99 PolarHBondContact O-N 3.05Å
98A83.3Confident92.7Very high104 Ų10439.8 Ų39.886%0.8625%0.253SS*.SBendtrans-54.4139.7169.100000110.5
99G89Confident92.6Very high53 Ų5340.9 Ų40.955%0.54626%0.257SS..  trans162-161.4-17400000112.3N93 T97N93-G99 WeakPolarHBondContact CB-O 3.45Å; N93-G99 PolarHBondContact ND2-N 3.42Å; N93-G99 PolarHBondContact ND2-O 2.67Å; T97-G99 PolarHBondContact O-N 3.05Å
100G90.6Very high92.4Very high30 Ų3043.4 Ų43.431%0.30927%0.267SS..  trans119.3138.5-169.900000110.3N91 D92N91-G100 VanDerWaalsContact OD1-CA 3.23Å; N91-G100 WeakPolarHBondContact OD1-CA 3.36Å; D92-G100 VanDerWaalsContact OD1-CA 3.28Å; D92-G100 WeakPolarHBondContact OD1-CA 3.4Å
101S92.8Very high92.2Very high68 Ų6848.2 Ų48.248%0.47630%0.3SS..SBendtrans-110.5-15.4178.437.30000114.2W26 D92W26-S101 WeakPolarHBondContact CH2-O 2.94Å; W26-S101 VanDerWaalsContact CZ3-CA 3.49Å; D92-S101 PolarHBondContact OD1-N 3.1Å; D92-S101 PolarHBondContact OD2-OG 3.01Å
102H97Very high91.9Very high3 Ų350.2 Ų50.21%0.01432%0.315CS..  trans-149.5144.8-173.5-167.547.5000113.7N91 D92 D119 Q121 C162N91-H102 WeakPolarHBondContact CA-O 3.49Å; N91-H102 PolarHBondContact ND2-O 3.49Å; D92-H102 PolarHBondContact N-O 3.04Å; D92-H102 PolarHBondContact OD1-N 2.97Å; D92-H102 WeakPolarHBondContact OD2-CB 3.5Å; D92-H102 PolarHBondContact OD2-N 3.34Å; H102-D119 IonicContact CD2-OD1 2.76Å; H102-D119 IonicContact CE1-OD1 2.8Å; H102-D119 IonicContact NE2-OD1 3.16Å; H102-D119 PolarHBondContact NE2-OD1 3.1Å; H102-D119 IonicContact NE2-OD2 3.14Å; H102-Q121 VanDerWaalsContact CE1-CB 3.44Å; H102-Q121 WeakPolarHBondContact CE1-CB 3.3Å; H102-Q121 PolarHBondContact ND1-OE1 3.42Å; H102-Q121 WeakPolarHBondContact NE2-CB 3.48Å; H102-C162 WeakPolarHBondContact CE1-CB 3.48Å; H102-C162 WeakPolarHBondContact ND1-CB 3.48Å
103W98.3Very high91.9Very high27 Ų2749.4 Ų49.410%0.10231%0.311CS..EExtended strand (participates in β ladder)trans-116.4140.2175.9-69.2109.5000110.7L27 D29 I32 P56 A89 V90 N91 C162 V166L27-W103 PolarHBondContact O-NE1 3.19Å; D29-W103 HydrophobicContact CB-CH2 4.4Å; I32-W103 HydrophobicContact CD1-CD2 3.58Å; I32-W103 HydrophobicContact CD1-CE3 4.03Å; I32-W103 HydrophobicContact CD1-CG 3.81Å; I32-W103 HydrophobicContact CD1-CZ2 4.21Å; P56-W103 HydrophobicContact CB-CH2 3.71Å; P56-W103 HydrophobicContact CB-CZ3 3.84Å; P56-W103 HydrophobicContact CG-CH2 4.44Å; P56-W103 HydrophobicContact CG-CZ3 4.46Å; A89-W103 HydrophobicContact CB-CE3 4.46Å; A89-W103 HydrophobicContact CB-CZ3 4.38Å; V90-W103 WeakPolarHBondContact O-CA 3.47Å; N91-W103 HydrophobicContact CB-CE3 3.84Å; N91-W103 HydrophobicContact CB-CH2 3.81Å; N91-W103 HydrophobicContact CB-CZ2 4.49Å; N91-W103 HydrophobicContact CB-CZ3 3.47Å; N91-W103 VanDerWaalsContact CB-CZ3 3.47Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.09Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.44Å; W103-C162 HydrophobicContact CB-CB 4.26Å; W103-V166 HydrophobicContact CB-CG2 3.91Å
104S98.6Very high92Very high1 Ų149.7 Ų49.71%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-145.1169.6170.467.10000110.6V90 H117 Y118 N125 V166V90-S104 PolarHBondContact N-O 3.2Å; V90-S104 PolarHBondContact O-N 3.18Å; S104-H117 WeakPolarHBondContact CB-NE2 3.05Å; S104-H117 PolarHBondContact OG-NE2 3.14Å; S104-Y118 WeakPolarHBondContact CB-O 3.35Å; S104-N125 WeakPolarHBondContact OG-CB 3.34Å; S104-N125 PolarHBondContact OG-ND2 3.38Å; S104-V166 WeakPolarHBondContact O-CG2 3.28Å
105L98.6Very high92.5Very high0 Ų046.1 Ų46.10%029%0.287CS..EExtended strand (participates in β ladder)trans-111.6131.9-177-179.972.5000110.6F36 F87 H117 Y118 V166 I169 A170 L173F36-L105 HydrophobicContact CZ-CD1 3.9Å; F87-L105 HydrophobicContact CB-CD1 4.49Å; F87-L105 HydrophobicContact CD1-CD1 4.39Å; F87-L105 HydrophobicContact CD1-CD2 4.44Å; L105-H117 PolarHBondContact O-CD2 2.97Å; L105-Y118 HydrophobicContact CD2-CD2 4.3Å; L105-Y118 PolarHBondContact N-O 3.43Å; L105-Y118 PolarHBondContact O-N 2.9Å; L105-V166 HydrophobicContact CB-CG1 4.26Å; L105-V166 HydrophobicContact CB-CG2 4.43Å; L105-V166 HydrophobicContact CD1-CG1 4.09Å; L105-I169 HydrophobicContact CD2-CB 4.11Å; L105-I169 HydrophobicContact CD2-CG2 3.54Å; L105-A170 HydrophobicContact CD1-CB 4.26Å; L105-A170 HydrophobicContact CD2-CB 4.01Å; L105-L173 HydrophobicContact CD2-CD1 3.94Å
106L98.8Very high93.5Very high0 Ų040.8 Ų40.80%026%0.258CS..EExtended strand (participates in β ladder)trans-111.9128.4169-176.865.2000109.6L88 V90 F115 H117 I132 A133 F148L88-L106 HydrophobicContact CB-CB 4.36Å; L88-L106 HydrophobicContact CD1-CB 4.43Å; L88-L106 HydrophobicContact CD1-CD2 4.33Å; L88-L106 HydrophobicContact CD1-CG 4.34Å; L88-L106 PolarHBondContact N-O 3.3Å; L88-L106 PolarHBondContact O-N 2.78Å; V90-L106 HydrophobicContact CG2-CB 3.69Å; L106-F115 HydrophobicContact CD1-CB 4.07Å; L106-F115 HydrophobicContact CD1-CD1 4.06Å; L106-F115 HydrophobicContact CD2-CD1 4.09Å; L106-F115 HydrophobicContact CD2-CE1 4.39Å; L106-F115 HydrophobicContact CG-CD1 4.09Å; L106-H117 HydrophobicContact CD1-CB 4.1Å; L106-I132 HydrophobicContact CD2-CB 4.25Å; L106-I132 HydrophobicContact CD2-CG2 3.91Å; L106-A133 HydrophobicContact CD2-CB 4.31Å; L106-F148 HydrophobicContact CD1-CE2 3.92Å
107L98.5Very high94.7Very high0 Ų030.9 Ų30.90%021%0.212CC..EExtended strand (participates in β ladder)trans-119.5118.8175.5169.960.1000110W85 V86 F87 R109 F115 A116 Y118 L173 P183W85-L107 HydrophobicContact CB-CD1 4.1Å; V86-L107 CarbonylContact O-C 3.59Å; V86-L107 WeakPolarHBondContact O-CA 3.44Å; F87-L107 HydrophobicContact CD1-CB 4.49Å; F87-L107 HydrophobicContact CD1-CD1 3.89Å; F87-L107 HydrophobicContact CD2-CD1 4.16Å; F87-L107 HydrophobicContact CE1-CD1 3.7Å; F87-L107 HydrophobicContact CE1-CD2 4.08Å; F87-L107 HydrophobicContact CE1-CG 4.33Å; F87-L107 HydrophobicContact CE2-CD1 3.98Å; F87-L107 HydrophobicContact CG-CD1 4.12Å; F87-L107 HydrophobicContact CZ-CD1 3.74Å; F87-L107 HydrophobicContact CZ-CD2 4.39Å; L107-R109 HydrophobicContact CD2-CG 4.17Å; L107-R109 HydrophobicContact CG-CG 4.03Å; L107-F115 WeakPolarHBondContact O-CA 3.37Å; L107-A116 HydrophobicContact CB-CB 4.42Å; L107-A116 PolarHBondContact N-O 3.49Å; L107-A116 PolarHBondContact O-N 3.13Å; L107-Y118 HydrophobicContact CB-CE2 4.37Å; L107-L173 HydrophobicContact CD2-CD1 3.99Å; L107-P183 HydrophobicContact CD2-CB 3.93Å; L107-P183 HydrophobicContact CD2-CG 4.09Å
108Y98.3Very high95.4Very high0 Ų026.3 Ų26.30%018%0.183CC..EExtended strand (participates in β ladder)trans-88.2136.4164.1177.3-105.6000111.4W85 V86 R110 N113 H114 F115 L140 A146W85-Y108 WeakPolarHBondContact CA-O 3.3Å; V86-Y108 HydrophobicContact CG2-CD1 4.17Å; V86-Y108 PolarHBondContact N-O 3.38Å; V86-Y108 VanDerWaalsContact N-O 3.09Å; V86-Y108 PolarHBondContact O-N 2.81Å; Y108-R110 HydrophobicContact CE1-CB 4.24Å; Y108-R110 PolarHBondContact OH-NH1 3.45Å; Y108-N113 WeakPolarHBondContact CE2-OD1 3.44Å; Y108-N113 PolarHBondContact OH-OD1 3.04Å; Y108-H114 CarbonylContact C-O 3.51Å; Y108-H114 WeakPolarHBondContact CA-O 3.4Å; Y108-F115 HydrophobicContact CD2-CD1 4.01Å; Y108-F115 HydrophobicContact CD2-CD2 4.1Å; Y108-F115 AromaticContact CD2-CE1 3.89Å; Y108-F115 HydrophobicContact CD2-CE1 3.89Å; Y108-F115 AromaticContact CD2-CE2 3.98Å; Y108-F115 HydrophobicContact CD2-CE2 3.98Å; Y108-F115 HydrophobicContact CD2-CG 4.14Å; Y108-F115 AromaticContact CD2-CZ 3.9Å; Y108-F115 HydrophobicContact CD2-CZ 3.9Å; Y108-F115 HydrophobicContact CE2-CE2 4.43Å; Y108-F115 HydrophobicContact CG-CD1 4.37Å; Y108-F115 HydrophobicContact CG-CE1 4.12Å; Y108-F115 HydrophobicContact CG-CZ 4.41Å; Y108-L140 HydrophobicContact CD1-CD1 3.96Å; Y108-L140 HydrophobicContact CD1-CD2 3.77Å; Y108-L140 HydrophobicContact CD1-CG 4.43Å; Y108-L140 HydrophobicContact CD2-CD1 3.59Å; Y108-L140 HydrophobicContact CE1-CB 4.29Å; Y108-L140 HydrophobicContact CE1-CD1 3.85Å; Y108-L140 HydrophobicContact CE1-CD2 3.83Å; Y108-L140 HydrophobicContact CE1-CG 4.21Å; Y108-L140 HydrophobicContact CE2-CD1 3.47Å; Y108-L140 VanDerWaalsContact CE2-CD1 3.47Å; Y108-L140 HydrophobicContact CG-CD1 3.82Å; Y108-L140 HydrophobicContact CG-CD2 4.27Å; Y108-A146 HydrophobicContact CE2-CB 4.42Å
109R96.1Very high96.1Very high24 Ų2421.7 Ų21.79%0.09114%0.144CC..EExtended strand (participates in β ladder)trans-119.2114.3176.6-55.5173.2-170.9-152.1-5109.5L107 N113 H114 Y118 P183L107-R109 HydrophobicContact CD2-CG 4.17Å; L107-R109 HydrophobicContact CG-CG 4.03Å; R109-N113 WeakPolarHBondContact O-CA 3.49Å; R109-N113 PolarHBondContact O-N 2.94Å; R109-H114 PolarHBondContact N-O 3.27Å; R109-H114 PolarHBondContact O-N 3.49Å; R109-H114 VanDerWaalsContact O-N 3.09Å; R109-Y118 PolarHBondContact NH2-OH 3.2Å; R109-P183 HydrophobicContact CG-CG 4.28Å; R109-P183 PolarHBondContact NH1-O 3.44Å; R109-P183 PolarHBondContact NH2-O 3.04Å
110R94.8Very high96.5Very high53 Ų5319.4 Ų19.420%0.212%0.12CC..THydrogen-bonded Turntrans-58.4-49.2179.6175.665.665.9-157.17.7113L80 P81 R83 R84 Y108 S112 N113 L140L80-R110 PolarHBondContact O-NH2 2.87Å; P81-R110 VanDerWaalsContact C-NH2 3.33Å; P81-R110 PolarHBondContact O-NE 2.89Å; P81-R110 PolarHBondContact O-NH2 2.94Å; R83-R110 PolarHBondContact O-NE 2.82Å; R84-R110 WeakPolarHBondContact O-CB 3.46Å; R84-R110 PolarHBondContact O-N 2.85Å; Y108-R110 HydrophobicContact CE1-CB 4.24Å; Y108-R110 PolarHBondContact OH-NH1 3.45Å; R110-S112 PolarHBondContact O-N 2.79Å; R110-N113 PolarHBondContact O-N 3.06Å; R110-L140 PolarHBondContact NH1-O 2.97Å; R110-L140 PolarHBondContact NH2-O 3.39Å
111S92.8Very high96.6Very high101 Ų10122.8 Ų22.871%0.70613%0.127SC*.THydrogen-bonded Turntrans-59-35.2-170.853.60000113.3
112S93.1Very high96.2Very high54 Ų5426.8 Ų26.838%0.37814%0.144SC..THydrogen-bonded Turntrans-103.7-1.517852.40000113.8R110 H114R110-S112 PolarHBondContact O-N 2.79Å; S112-H114 VanDerWaalsContact OG-CB 3.25Å; S112-H114 WeakPolarHBondContact OG-CB 3.49Å
113N95.8Very high95.6Very high6 Ų627.9 Ų27.93%0.03216%0.155CC..THydrogen-bonded Turntrans46.258.9-169.1-167.438.9000112.6Y108 R109 R110 A142 R144 K145 A146 L147Y108-N113 WeakPolarHBondContact CE2-OD1 3.44Å; Y108-N113 PolarHBondContact OH-OD1 3.04Å; R109-N113 WeakPolarHBondContact O-CA 3.49Å; R109-N113 PolarHBondContact O-N 2.94Å; R110-N113 PolarHBondContact O-N 3.06Å; N113-A142 HydrophobicContact CB-CB 4.4Å; N113-A142 VanDerWaalsContact CG-CB 3.49Å; N113-A142 WeakPolarHBondContact OD1-CB 3.43Å; N113-R144 VanDerWaalsContact ND2-CG 3.33Å; N113-R144 WeakPolarHBondContact ND2-CG 3.46Å; N113-R144 PolarHBondContact ND2-O 3.49Å; N113-K145 PolarHBondContact ND2-O 3.38Å; N113-K145 VanDerWaalsContact ND2-O 3.17Å; N113-A146 WeakPolarHBondContact ND2-CA 3.33Å; N113-A146 WeakPolarHBondContact O-CA 3.48Å; N113-L147 PolarHBondContact O-N 3.16Å
114H95.8Very high95.1Very high23 Ų2329.7 Ų29.711%0.10617%0.172CC..EExtended strand (participates in β ladder)trans-137.4128.9-164.1-177.9-158.2000111.5Y108 R109 S112 L147 V149 E151Y108-H114 CarbonylContact C-O 3.51Å; Y108-H114 WeakPolarHBondContact CA-O 3.4Å; R109-H114 PolarHBondContact N-O 3.27Å; R109-H114 PolarHBondContact O-N 3.49Å; R109-H114 VanDerWaalsContact O-N 3.09Å; S112-H114 VanDerWaalsContact OG-CB 3.25Å; S112-H114 WeakPolarHBondContact OG-CB 3.49Å; H114-L147 PolarHBondContact CD2-O 2.91Å; H114-V149 WeakPolarHBondContact NE2-CB 3.3Å; H114-V149 WeakPolarHBondContact NE2-CG2 3.47Å; H114-E151 IonicContact CE1-OE1 3.67Å
115F98.3Very high94.9Very high2 Ų229.6 Ų29.61%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-92.7118.7166-71.6-79.2000110.9L106 L107 Y108 A133 L136 L140 A146 L147 F148 V149L106-F115 HydrophobicContact CD1-CB 4.07Å; L106-F115 HydrophobicContact CD1-CD1 4.06Å; L106-F115 HydrophobicContact CD2-CD1 4.09Å; L106-F115 HydrophobicContact CD2-CE1 4.39Å; L106-F115 HydrophobicContact CG-CD1 4.09Å; L107-F115 WeakPolarHBondContact O-CA 3.37Å; Y108-F115 HydrophobicContact CD2-CD1 4.01Å; Y108-F115 HydrophobicContact CD2-CD2 4.1Å; Y108-F115 AromaticContact CD2-CE1 3.89Å; Y108-F115 HydrophobicContact CD2-CE1 3.89Å; Y108-F115 AromaticContact CD2-CE2 3.98Å; Y108-F115 HydrophobicContact CD2-CE2 3.98Å; Y108-F115 HydrophobicContact CD2-CG 4.14Å; Y108-F115 AromaticContact CD2-CZ 3.9Å; Y108-F115 HydrophobicContact CD2-CZ 3.9Å; Y108-F115 HydrophobicContact CE2-CE2 4.43Å; Y108-F115 HydrophobicContact CG-CD1 4.37Å; Y108-F115 HydrophobicContact CG-CE1 4.12Å; Y108-F115 HydrophobicContact CG-CZ 4.41Å; F115-A133 HydrophobicContact CB-CB 4.47Å; F115-A133 HydrophobicContact CD1-CB 3.93Å; F115-A133 HydrophobicContact CD2-CB 3.81Å; F115-A133 HydrophobicContact CE1-CB 3.96Å; F115-A133 HydrophobicContact CE2-CB 3.85Å; F115-A133 HydrophobicContact CG-CB 3.83Å; F115-A133 HydrophobicContact CZ-CB 3.9Å; F115-L136 HydrophobicContact CE1-CD2 4.12Å; F115-L136 HydrophobicContact CZ-CB 4.3Å; F115-L136 HydrophobicContact CZ-CD2 4.43Å; F115-L140 HydrophobicContact CE1-CD1 4.3Å; F115-L140 HydrophobicContact CE2-CD1 3.97Å; F115-L140 HydrophobicContact CZ-CD1 3.48Å; F115-L140 VanDerWaalsContact CZ-CD1 3.48Å; F115-A146 HydrophobicContact CD2-CB 3.52Å; F115-A146 HydrophobicContact CE2-CB 3.49Å; F115-A146 VanDerWaalsContact CE2-CB 3.49Å; F115-L147 PolarHBondContact N-O 3.22Å; F115-F148 HydrophobicContact CB-CB 4.43Å; F115-F148 HydrophobicContact CB-CD2 3.85Å; F115-F148 HydrophobicContact CB-CG 4.44Å; F115-F148 WeakPolarHBondContact O-CA 3.5Å; F115-V149 PolarHBondContact O-N 3.3Å
116A97.8Very high94.9Very high0 Ų030.8 Ų30.80%018%0.18CC..EExtended strand (participates in β ladder)trans-104.9116.317500000108.8L107 Y118 E151L107-A116 HydrophobicContact CB-CB 4.42Å; L107-A116 PolarHBondContact N-O 3.49Å; L107-A116 PolarHBondContact O-N 3.13Å; A116-Y118 HydrophobicContact CB-CE2 3.82Å; A116-E151 HydrophobicContact CB-CG 3.63Å
117H98.3Very high94.8Very high0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-103.8126.8178.4-178.6-125.5000110.4S104 L105 L106 D119 A129 F148 V149 E150 E151S104-H117 WeakPolarHBondContact CB-NE2 3.05Å; S104-H117 PolarHBondContact OG-NE2 3.14Å; L105-H117 PolarHBondContact O-CD2 2.97Å; L106-H117 HydrophobicContact CD1-CB 4.1Å; H117-D119 IonicContact CE1-OD2 3.93Å; H117-A129 HydrophobicContact CB-CB 4.45Å; H117-A129 WeakPolarHBondContact CD2-CB 3.37Å; H117-A129 WeakPolarHBondContact NE2-CB 3.4Å; H117-F148 HydrophobicContact CB-CE1 4.09Å; H117-F148 HydrophobicContact CB-CE2 4.17Å; H117-F148 HydrophobicContact CB-CZ 3.53Å; H117-F148 AromaticContact CG-CZ 3.98Å; H117-V149 PolarHBondContact N-O 2.92Å; H117-E150 IonicContact CE1-OE2 2.9Å; H117-E150 IonicContact CG-OE2 3.71Å; H117-E150 IonicContact ND1-OE1 3.73Å; H117-E150 PolarHBondContact ND1-OE1 2.93Å; H117-E150 IonicContact ND1-OE2 3.6Å; H117-E150 PolarHBondContact ND1-OE2 3.32Å; H117-E151 PolarHBondContact O-N 2.75Å
118Y97.7Very high94.8Very high3 Ų338.2 Ų38.21%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-116.5115.4179.9-59.9-87.2000109.3S104 L105 L107 R109 A116 E151 I169 L173 L185S104-Y118 WeakPolarHBondContact CB-O 3.35Å; L105-Y118 HydrophobicContact CD2-CD2 4.3Å; L105-Y118 PolarHBondContact N-O 3.43Å; L105-Y118 PolarHBondContact O-N 2.9Å; L107-Y118 HydrophobicContact CB-CE2 4.37Å; R109-Y118 PolarHBondContact NH2-OH 3.2Å; A116-Y118 HydrophobicContact CB-CE2 3.82Å; Y118-E151 HydrophobicContact CD1-CB 3.57Å; Y118-E151 HydrophobicContact CD1-CG 4.36Å; Y118-E151 HydrophobicContact CE1-CB 3.26Å; Y118-E151 HydrophobicContact CE1-CG 3.73Å; Y118-E151 HydrophobicContact CE2-CB 4.48Å; Y118-E151 HydrophobicContact CE2-CG 4.28Å; Y118-E151 HydrophobicContact CG-CB 4.29Å; Y118-I169 HydrophobicContact CD1-CG2 4.2Å; Y118-I169 HydrophobicContact CD2-CG2 4.16Å; Y118-I169 HydrophobicContact CG-CG2 3.86Å; Y118-L173 HydrophobicContact CD2-CD1 4.12Å; Y118-L173 HydrophobicContact CE2-CD1 3.62Å; Y118-L185 HydrophobicContact CD1-CD2 3.69Å; Y118-L185 HydrophobicContact CE1-CB 3.94Å; Y118-L185 HydrophobicContact CE1-CD2 3.85Å; Y118-L185 HydrophobicContact CE1-CG 4.48Å
119D97.6Very high94.8Very high7 Ų738.2 Ų38.24%0.03722%0.218CC..  trans-130.3115.4-175.1-170.2-24000110.5H102 H117 Q121 N122 G123 S124 N125 C153H102-D119 IonicContact CD2-OD1 2.76Å; H102-D119 IonicContact CE1-OD1 2.8Å; H102-D119 IonicContact NE2-OD1 3.16Å; H102-D119 PolarHBondContact NE2-OD1 3.1Å; H102-D119 IonicContact NE2-OD2 3.14Å; H117-D119 IonicContact CE1-OD2 3.93Å; D119-Q121 PolarHBondContact O-N 3.03Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.2Å; D119-Q121 PolarHBondContact OD1-N 2.75Å; D119-N122 PolarHBondContact O-N 3.21Å; D119-G123 VanDerWaalsContact OD2-C 3.27Å; D119-G123 WeakPolarHBondContact OD2-CA 3.44Å; D119-G123 PolarHBondContact OD2-N 3.46Å; D119-S124 PolarHBondContact OD2-N 2.74Å; D119-N125 WeakPolarHBondContact OD2-CB 3.33Å; D119-N125 PolarHBondContact OD2-N 2.58Å; D119-C153 WeakPolarHBondContact O-CB 3.17Å
120S96.7Very high94.9Very high5 Ų542.5 Ų42.54%0.03523%0.234CC..THydrogen-bonded Turntrans-70-10.7179.354.70000113.6S155 Q156S120-S155 WeakPolarHBondContact O-CA 3.37Å; S120-Q156 PolarHBondContact O-N 3.18Å; S120-Q156 PolarHBondContact OG-OE1 3.49Å
121Q93.6Very high95Very high101 Ų10145.4 Ų45.447%0.47225%0.245SC..THydrogen-bonded Turntrans-116.641.2174.9-160.1177.2-8.200111.6H102 D119 G123 S124H102-Q121 VanDerWaalsContact CE1-CB 3.44Å; H102-Q121 WeakPolarHBondContact CE1-CB 3.3Å; H102-Q121 PolarHBondContact ND1-OE1 3.42Å; H102-Q121 WeakPolarHBondContact NE2-CB 3.48Å; D119-Q121 PolarHBondContact O-N 3.03Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.2Å; D119-Q121 PolarHBondContact OD1-N 2.75Å; Q121-G123 PolarHBondContact O-N 2.73Å; Q121-S124 PolarHBondContact O-N 2.84Å
122N84.3Confident95.2Very high153 Ų15340.7 Ų40.782%0.81821%0.212SC*.THydrogen-bonded Turntrans51.151.9165.2-160.530.8000115.2D119D119-N122 PolarHBondContact O-N 3.21Å
123G83.2Confident95.5Very high25 Ų2538.3 Ų38.326%0.25820%0.196SC..THydrogen-bonded Turntrans83.310.6171.800000114.9D119 Q121 N125 S126D119-G123 VanDerWaalsContact OD2-C 3.27Å; D119-G123 WeakPolarHBondContact OD2-CA 3.44Å; D119-G123 PolarHBondContact OD2-N 3.46Å; Q121-G123 PolarHBondContact O-N 2.73Å; G123-N125 PolarHBondContact O-N 2.71Å; G123-N125 VanDerWaalsContact O-N 3.1Å; G123-S126 WeakPolarHBondContact O-CB 3.37Å; G123-S126 PolarHBondContact O-N 3.36Å
124S88.4Confident95.5Very high65 Ų6541.4 Ų41.446%0.45522%0.218SC..THydrogen-bonded Turntrans-50.7-32.8173-169.20000112.5D119 Q121D119-S124 PolarHBondContact OD2-N 2.74Å; Q121-S124 PolarHBondContact O-N 2.84Å
125N95.7Very high95.6Very high0 Ų042.2 Ų42.20%022%0.221CC..THydrogen-bonded Turntrans-96.96.4-179.9-131.2-3.7000114.4V90 D92 S104 D119 G123 L127 H128 A129V90-N125 WeakPolarHBondContact CG1-ND2 3.16Å; V90-N125 PolarHBondContact O-ND2 3.41Å; D92-N125 WeakPolarHBondContact CA-OD1 3.38Å; D92-N125 WeakPolarHBondContact CB-OD1 3.2Å; D92-N125 PolarHBondContact N-OD1 3.4Å; S104-N125 WeakPolarHBondContact OG-CB 3.34Å; S104-N125 PolarHBondContact OG-ND2 3.38Å; D119-N125 WeakPolarHBondContact OD2-CB 3.33Å; D119-N125 PolarHBondContact OD2-N 2.58Å; G123-N125 PolarHBondContact O-N 2.71Å; G123-N125 VanDerWaalsContact O-N 3.1Å; N125-L127 VanDerWaalsContact C-N 3.3Å; N125-L127 PolarHBondContact O-N 2.82Å; N125-H128 PolarHBondContact O-N 2.93Å; N125-H128 WeakPolarHBondContact OD1-CB 3.48Å; N125-H128 PolarHBondContact OD1-CD2 3.45Å; N125-A129 PolarHBondContact O-N 2.96Å
126S97Very high95.4Very high25 Ų2542.1 Ų42.118%0.17522%0.221CC..Hα-helixtrans-55.1-42.4-171.8-174.20000112.9G123 H128 A129 R130 E150G123-S126 WeakPolarHBondContact O-CB 3.37Å; G123-S126 PolarHBondContact O-N 3.36Å; S126-H128 VanDerWaalsContact C-N 3.33Å; S126-H128 PolarHBondContact O-N 2.98Å; S126-A129 PolarHBondContact O-N 3Å; S126-R130 WeakPolarHBondContact O-CB 3.28Å; S126-R130 VanDerWaalsContact O-CG 3.26Å; S126-R130 WeakPolarHBondContact O-CG 3.23Å; S126-R130 PolarHBondContact O-N 2.71Å; S126-R130 PolarHBondContact OG-NE 2.85Å; S126-R130 VanDerWaalsContact OG-NE 3.1Å; S126-E150 WeakPolarHBondContact CB-OE1 3.37Å; S126-E150 PolarHBondContact OG-OE1 3.38Å
127L97.3Very high95.3Very high129 Ų12944.8 Ų44.868%0.67523%0.233SC*.Hα-helixtrans-61.5-42.8179.7-178.364.8000111.7N125 R131N125-L127 VanDerWaalsContact C-N 3.3Å; N125-L127 PolarHBondContact O-N 2.82Å; L127-R131 WeakPolarHBondContact O-CB 3.49Å; L127-R131 PolarHBondContact O-N 2.9Å
128H98Very high95.2Very high26 Ų2649.4 Ų49.412%0.1226%0.263CS..Hα-helixtrans-69.2-44179.7-59-68.6000111.2K63 V90 D92 S94 N125 S126 R130 R131 I132K63-H128 HydrophobicContact CD-CB 4Å; V90-H128 HydrophobicContact CG1-CB 3.77Å; D92-H128 PolarHBondContact O-CE1 3.49Å; D92-H128 PolarHBondContact O-NE2 3.4Å; S94-H128 PolarHBondContact OG-CE1 2.82Å; N125-H128 PolarHBondContact O-N 2.93Å; N125-H128 WeakPolarHBondContact OD1-CB 3.48Å; N125-H128 PolarHBondContact OD1-CD2 3.45Å; S126-H128 VanDerWaalsContact C-N 3.33Å; S126-H128 PolarHBondContact O-N 2.98Å; H128-R130 PolarHBondContact O-N 3.4Å; H128-R131 PolarHBondContact O-N 3.45Å; H128-I132 WeakPolarHBondContact O-CD1 3.1Å; H128-I132 WeakPolarHBondContact O-CG1 3.3Å; H128-I132 PolarHBondContact O-N 3.22Å
129A98.3Very high95Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-61.5-43.7176.400000112.2V90 H117 N125 S126 R131 I132 A133 F148V90-A129 HydrophobicContact CG1-CB 4.36Å; V90-A129 HydrophobicContact CG2-CB 4.31Å; H117-A129 HydrophobicContact CB-CB 4.45Å; H117-A129 WeakPolarHBondContact CD2-CB 3.37Å; H117-A129 WeakPolarHBondContact NE2-CB 3.4Å; N125-A129 PolarHBondContact O-N 2.96Å; S126-A129 PolarHBondContact O-N 3Å; A129-R131 PolarHBondContact O-N 2.73Å; A129-I132 PolarHBondContact O-N 2.94Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 3.07Å; A129-F148 HydrophobicContact CB-CE2 4.01Å; A129-F148 HydrophobicContact CB-CZ 3.9Å
130R98.1Very high94.9Very high114 Ų11451.4 Ų51.443%0.4327%0.272SS..Hα-helixtrans-63.7-40.3175.6-72.8175.4-167.4-79.7-3.4112.2S126 H128 A133 S134 F148 E150S126-R130 WeakPolarHBondContact O-CB 3.28Å; S126-R130 VanDerWaalsContact O-CG 3.26Å; S126-R130 WeakPolarHBondContact O-CG 3.23Å; S126-R130 PolarHBondContact O-N 2.71Å; S126-R130 PolarHBondContact OG-NE 2.85Å; S126-R130 VanDerWaalsContact OG-NE 3.1Å; H128-R130 PolarHBondContact O-N 3.4Å; R130-A133 PolarHBondContact O-N 3.38Å; R130-S134 PolarHBondContact O-N 3.21Å; R130-S134 PolarHBondContact O-OG 2.95Å; R130-F148 HydrophobicContact CB-CE2 4.44Å; R130-F148 HydrophobicContact CG-CD1 4Å; R130-F148 HydrophobicContact CG-CD2 3.98Å; R130-F148 HydrophobicContact CG-CE1 3.75Å; R130-F148 HydrophobicContact CG-CE2 3.72Å; R130-F148 HydrophobicContact CG-CG 4.11Å; R130-F148 HydrophobicContact CG-CZ 3.6Å; R130-F148 VanDerWaalsContact CZ-CE1 3.42Å; R130-E150 IonicContact NH2-OE1 2.73Å
131R97.6Very high94.4Very high115 Ų11554.1 Ų54.143%0.43430%0.301SS..Hα-helixtrans-62.3-43.2176.8-176.4175.4-179.4-179.6-2.3111.6K63 L127 H128 A129 S134 K135K63-R131 HydrophobicContact CG-CG 4.48Å; K63-R131 PolarHBondContact O-NE 3.29Å; K63-R131 VanDerWaalsContact O-NE 3.09Å; L127-R131 WeakPolarHBondContact O-CB 3.49Å; L127-R131 PolarHBondContact O-N 2.9Å; H128-R131 PolarHBondContact O-N 3.45Å; A129-R131 PolarHBondContact O-N 2.73Å; R131-S134 PolarHBondContact O-OG 2.71Å; R131-K135 WeakPolarHBondContact O-CG 3.46Å; R131-K135 PolarHBondContact O-N 3.1Å
132I97.9Very high94Very high1 Ų151 Ų511%0.00529%0.293CS..Hα-helixtrans-63.1-50174.4-68.3157.8000110T59 I62 K63 L88 V90 L106 H128 A129 S134 K135 L136T59-I132 HydrophobicContact CG2-CD1 3.6Å; T59-I132 HydrophobicContact CG2-CG1 4.39Å; T59-I132 HydrophobicContact CG2-CG2 4.5Å; I62-I132 HydrophobicContact CG2-CG2 4.12Å; K63-I132 HydrophobicContact CB-CD1 4.17Å; K63-I132 HydrophobicContact CB-CG1 3.67Å; K63-I132 HydrophobicContact CD-CD1 4.22Å; K63-I132 HydrophobicContact CD-CG1 4.36Å; K63-I132 HydrophobicContact CG-CD1 4.31Å; K63-I132 HydrophobicContact CG-CG1 3.9Å; L88-I132 HydrophobicContact CD2-CG2 3.82Å; V90-I132 HydrophobicContact CB-CD1 4.23Å; V90-I132 HydrophobicContact CG1-CD1 3.73Å; V90-I132 HydrophobicContact CG2-CD1 3.86Å; L106-I132 HydrophobicContact CD2-CB 4.25Å; L106-I132 HydrophobicContact CD2-CG2 3.91Å; H128-I132 WeakPolarHBondContact O-CD1 3.1Å; H128-I132 WeakPolarHBondContact O-CG1 3.3Å; H128-I132 PolarHBondContact O-N 3.22Å; A129-I132 PolarHBondContact O-N 2.94Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.59Å; I132-K135 PolarHBondContact O-N 3.2Å; I132-K135 VanDerWaalsContact O-N 3.08Å; I132-L136 WeakPolarHBondContact O-CB 3.35Å; I132-L136 PolarHBondContact O-N 3.43Å
133A98Very high94Very high5 Ų548 Ų484%0.04130%0.298CS..Hα-helixtrans-55.2-46.7179.300000112.1L106 F115 A129 R130 K135 L136 E137 F148L106-A133 HydrophobicContact CD2-CB 4.31Å; F115-A133 HydrophobicContact CB-CB 4.47Å; F115-A133 HydrophobicContact CD1-CB 3.93Å; F115-A133 HydrophobicContact CD2-CB 3.81Å; F115-A133 HydrophobicContact CE1-CB 3.96Å; F115-A133 HydrophobicContact CE2-CB 3.85Å; F115-A133 HydrophobicContact CG-CB 3.83Å; F115-A133 HydrophobicContact CZ-CB 3.9Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 3.07Å; R130-A133 PolarHBondContact O-N 3.38Å; A133-K135 VanDerWaalsContact C-N 3.26Å; A133-K135 PolarHBondContact O-N 3.37Å; A133-L136 PolarHBondContact O-N 3.36Å; A133-E137 WeakPolarHBondContact O-CB 3.2Å; A133-E137 PolarHBondContact O-N 3.37Å; A133-F148 HydrophobicContact CB-CD2 3.93Å; A133-F148 HydrophobicContact CB-CE2 4.3Å
134S96.6Very high94.4Very high71 Ų7154.7 Ų54.750%0.49732%0.315SS..Hα-helixtrans-63-31.4179.361.30000113.8R130 R131 I132R130-S134 PolarHBondContact O-N 3.21Å; R130-S134 PolarHBondContact O-OG 2.95Å; R131-S134 PolarHBondContact O-OG 2.71Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 2.59Å
135K96.5Very high94.6Very high40 Ų4059.8 Ų59.817%0.17433%0.329CS..Hα-helixtrans-83-31.5178.9-76.3-176.7167.3-172.60112.7I62 K63 A65 L71 R131 I132 A133 P138 F139I62-K135 HydrophobicContact CG2-CB 4.13Å; I62-K135 WeakPolarHBondContact O-CD 3.45Å; I62-K135 PolarHBondContact O-NZ 2.84Å; K63-K135 VanDerWaalsContact C-NZ 3.26Å; K63-K135 PolarHBondContact O-NZ 2.5Å; A65-K135 VanDerWaalsContact O-CE 3.29Å; A65-K135 WeakPolarHBondContact O-CE 3.37Å; A65-K135 PolarHBondContact O-NZ 3.35Å; L71-K135 HydrophobicContact CD2-CB 4.15Å; R131-K135 WeakPolarHBondContact O-CG 3.46Å; R131-K135 PolarHBondContact O-N 3.1Å; I132-K135 PolarHBondContact O-N 3.2Å; I132-K135 VanDerWaalsContact O-N 3.08Å; A133-K135 VanDerWaalsContact C-N 3.26Å; A133-K135 PolarHBondContact O-N 3.37Å; K135-P138 WeakPolarHBondContact O-CD 3.36Å; K135-F139 WeakPolarHBondContact O-CD2 3.45Å; K135-F139 WeakPolarHBondContact O-CE2 3.31Å
136L96.1Very high94.6Very high0 Ų060.2 Ų60.20%033%0.333CS..Hα-helixtrans-76.9-33177.6-157.171.2000111.5I62 L75 L80 V86 L88 F115 I132 A133 P138 F139 L140I62-L136 HydrophobicContact CD1-CD1 4.06Å; L75-L136 HydrophobicContact CD1-CD1 4.02Å; L75-L136 HydrophobicContact CD2-CD1 4.43Å; L80-L136 HydrophobicContact CD1-CD1 3.46Å; L80-L136 VanDerWaalsContact CD1-CD1 3.46Å; L80-L136 HydrophobicContact CD1-CG 4.02Å; V86-L136 HydrophobicContact CG1-CD2 4.33Å; L88-L136 HydrophobicContact CD1-CD2 4.18Å; L88-L136 HydrophobicContact CD2-CD2 4.13Å; F115-L136 HydrophobicContact CE1-CD2 4.12Å; F115-L136 HydrophobicContact CZ-CB 4.3Å; F115-L136 HydrophobicContact CZ-CD2 4.43Å; I132-L136 WeakPolarHBondContact O-CB 3.35Å; I132-L136 PolarHBondContact O-N 3.43Å; A133-L136 PolarHBondContact O-N 3.36Å; L136-P138 VanDerWaalsContact C-CD 3.45Å; L136-F139 WeakPolarHBondContact O-CB 3.39Å; L136-F139 PolarHBondContact O-N 2.62Å; L136-L140 HydrophobicContact CD2-CD2 4.27Å; L136-L140 HydrophobicContact CG-CD2 4.25Å; L136-L140 HydrophobicContact CG-CG 4.49Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 3.29Å
137E95.6Very high94.6Very high56 Ų5664.1 Ų64.126%0.26235%0.351SS..G310 helixtrans-47.4-46.8-173.7-175.1178.513200115A133 F139 L140 K145 A146A133-E137 WeakPolarHBondContact O-CB 3.2Å; A133-E137 PolarHBondContact O-N 3.37Å; E137-F139 PolarHBondContact O-N 3.48Å; E137-L140 PolarHBondContact O-N 3.49Å; E137-K145 VanDerWaalsContact OE1-CA 3.29Å; E137-K145 WeakPolarHBondContact OE1-CA 3.47Å; E137-A146 HydrophobicContact CG-CB 4.31Å; E137-A146 PolarHBondContact OE2-N 2.91Å
138P94.6Very high94.6Very high97 Ų9759.5 Ų59.563%0.6333%0.326SS*.G310 helixtrans-61.2-29.6179.1-23.736000113.8K135 L136 L140K135-P138 WeakPolarHBondContact O-CD 3.36Å; L136-P138 VanDerWaalsContact C-CD 3.45Å; P138-L140 VanDerWaalsContact C-N 3.34Å
139F95Very high94.6Very high50 Ų5060.5 Ų60.522%0.21933%0.333CS..G310 helixtrans-87.1-6.7-176.4-55.8-75.4000113.2L71 A72 L75 L80 P81 K135 L136 E137L71-F139 HydrophobicContact CD2-CE2 3.8Å; L71-F139 HydrophobicContact CD2-CZ 4.36Å; L71-F139 HydrophobicContact CG-CE2 3.97Å; L71-F139 HydrophobicContact CG-CZ 4.21Å; A72-F139 VanDerWaalsContact CA-CE1 3.42Å; A72-F139 HydrophobicContact CB-CE1 3.49Å; A72-F139 VanDerWaalsContact CB-CE1 3.49Å; A72-F139 HydrophobicContact CB-CZ 4.01Å; L75-F139 HydrophobicContact CD1-CB 4.24Å; L75-F139 HydrophobicContact CD1-CD1 4.38Å; L75-F139 HydrophobicContact CD1-CD2 3.5Å; L75-F139 VanDerWaalsContact CD1-CD2 3.5Å; L75-F139 HydrophobicContact CD1-CE2 3.9Å; L75-F139 HydrophobicContact CD1-CG 3.76Å; L75-F139 HydrophobicContact CD1-CZ 4.5Å; L80-F139 HydrophobicContact CD1-CB 4.13Å; P81-F139 WeakPolarHBondContact CD-O 3.41Å; K135-F139 WeakPolarHBondContact O-CD2 3.45Å; K135-F139 WeakPolarHBondContact O-CE2 3.31Å; L136-F139 WeakPolarHBondContact O-CB 3.39Å; L136-F139 PolarHBondContact O-N 2.62Å; E137-F139 PolarHBondContact O-N 3.48Å
140L93.9Very high94.5Very high1 Ų163.5 Ų63.51%0.00535%0.347CS..G310 helixtrans-78.8-24.8179.3-62.1173.3000111.2L80 Y108 R110 F115 L136 E137 P138 A142L80-L140 HydrophobicContact CB-CD2 4.18Å; Y108-L140 HydrophobicContact CD1-CD1 3.96Å; Y108-L140 HydrophobicContact CD1-CD2 3.77Å; Y108-L140 HydrophobicContact CD1-CG 4.43Å; Y108-L140 HydrophobicContact CD2-CD1 3.59Å; Y108-L140 HydrophobicContact CE1-CB 4.29Å; Y108-L140 HydrophobicContact CE1-CD1 3.85Å; Y108-L140 HydrophobicContact CE1-CD2 3.83Å; Y108-L140 HydrophobicContact CE1-CG 4.21Å; Y108-L140 HydrophobicContact CE2-CD1 3.47Å; Y108-L140 VanDerWaalsContact CE2-CD1 3.47Å; Y108-L140 HydrophobicContact CG-CD1 3.82Å; Y108-L140 HydrophobicContact CG-CD2 4.27Å; R110-L140 PolarHBondContact NH1-O 2.97Å; R110-L140 PolarHBondContact NH2-O 3.39Å; F115-L140 HydrophobicContact CE1-CD1 4.3Å; F115-L140 HydrophobicContact CE2-CD1 3.97Å; F115-L140 HydrophobicContact CZ-CD1 3.48Å; F115-L140 VanDerWaalsContact CZ-CD1 3.48Å; L136-L140 HydrophobicContact CD2-CD2 4.27Å; L136-L140 HydrophobicContact CG-CD2 4.25Å; L136-L140 HydrophobicContact CG-CG 4.49Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 3.29Å; E137-L140 PolarHBondContact O-N 3.49Å; P138-L140 VanDerWaalsContact C-N 3.34Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 3.35Å
141G87.8Confident94.4Very high63 Ų6360.5 Ų60.565%0.64934%0.338SS*.  trans71.622.9179.500000114.5G143G141-G143 VanDerWaalsContact C-N 3.34Å
142A84.8Confident94.1Very high36 Ų3659.3 Ų59.330%0.29835%0.345SS..  trans-80.8-10.9178.300000114.3N113 L140 R144N113-A142 HydrophobicContact CB-CB 4.4Å; N113-A142 VanDerWaalsContact CG-CB 3.49Å; N113-A142 WeakPolarHBondContact OD1-CB 3.43Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 3.35Å; A142-R144 PolarHBondContact O-N 2.92Å
143G83.8Confident93.9Very high90 Ų9060.3 Ų60.393%0.92835%0.352SS*.SBendtrans65.42.1178.200000115.8G141G141-G143 VanDerWaalsContact C-N 3.34Å
144R91.1Very high93.7Very high164 Ų16460.6 Ų60.662%0.61935%0.354SS*.SBendtrans-147.8157.8179.171.1-175.3178.5153.5-0.1110.5N113 A142 A146N113-R144 VanDerWaalsContact ND2-CG 3.33Å; N113-R144 WeakPolarHBondContact ND2-CG 3.46Å; N113-R144 PolarHBondContact ND2-O 3.49Å; A142-R144 PolarHBondContact O-N 2.92Å; R144-A146 PolarHBondContact O-N 3.43Å
145K93.3Very high93.5Very high173 Ų17360.9 Ų60.975%0.75236%0.355SS*.PPolyproline II helixtrans-57.4131.6178.9-170.8171-176175.80111.6N113 E137N113-K145 PolarHBondContact ND2-O 3.38Å; N113-K145 VanDerWaalsContact ND2-O 3.17Å; E137-K145 VanDerWaalsContact OE1-CA 3.29Å; E137-K145 WeakPolarHBondContact OE1-CA 3.47Å
146A96.1Very high93.4Very high9 Ų960.2 Ų60.27%0.07435%0.353CS..PPolyproline II helixtrans-77.6141.2176.300000110.2Y108 N113 F115 E137 R144Y108-A146 HydrophobicContact CE2-CB 4.42Å; N113-A146 WeakPolarHBondContact ND2-CA 3.33Å; N113-A146 WeakPolarHBondContact O-CA 3.48Å; F115-A146 HydrophobicContact CD2-CB 3.52Å; F115-A146 HydrophobicContact CE2-CB 3.49Å; F115-A146 VanDerWaalsContact CE2-CB 3.49Å; E137-A146 HydrophobicContact CG-CB 4.31Å; E137-A146 PolarHBondContact OE2-N 2.91Å; R144-A146 PolarHBondContact O-N 3.43Å
147L96.7Very high93.4Very high106 Ų10668.2 Ų68.256%0.55539%0.39SS*.EExtended strand (participates in β ladder)trans-72.6146.2169.1-175.765.8000108.6N113 H114 F115 V149N113-L147 PolarHBondContact O-N 3.16Å; H114-L147 PolarHBondContact CD2-O 2.91Å; F115-L147 PolarHBondContact N-O 3.22Å; L147-V149 HydrophobicContact CD2-CG2 3.79Å; L147-V149 HydrophobicContact CG-CG2 3.94Å
148F97.9Very high93.4Very high33 Ų3367.6 Ų67.615%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-122.5126170.2-178.4-73.4000109L106 F115 H117 A129 R130 A133 E150L106-F148 HydrophobicContact CD1-CE2 3.92Å; F115-F148 HydrophobicContact CB-CB 4.43Å; F115-F148 HydrophobicContact CB-CD2 3.85Å; F115-F148 HydrophobicContact CB-CG 4.44Å; F115-F148 WeakPolarHBondContact O-CA 3.5Å; H117-F148 HydrophobicContact CB-CE1 4.09Å; H117-F148 HydrophobicContact CB-CE2 4.17Å; H117-F148 HydrophobicContact CB-CZ 3.53Å; H117-F148 AromaticContact CG-CZ 3.98Å; A129-F148 HydrophobicContact CB-CE2 4.01Å; A129-F148 HydrophobicContact CB-CZ 3.9Å; R130-F148 HydrophobicContact CB-CE2 4.44Å; R130-F148 HydrophobicContact CG-CD1 4Å; R130-F148 HydrophobicContact CG-CD2 3.98Å; R130-F148 HydrophobicContact CG-CE1 3.75Å; R130-F148 HydrophobicContact CG-CE2 3.72Å; R130-F148 HydrophobicContact CG-CG 4.11Å; R130-F148 HydrophobicContact CG-CZ 3.6Å; R130-F148 VanDerWaalsContact CZ-CE1 3.42Å; A133-F148 HydrophobicContact CB-CD2 3.93Å; A133-F148 HydrophobicContact CB-CE2 4.3Å; F148-E150 HydrophobicContact CE1-CG 4.33Å; F148-E150 VanDerWaalsContact CE1-OE1 3.3Å; F148-E150 WeakPolarHBondContact CE1-OE1 3.38Å
149V96.7Very high93.4Very high47 Ų4767 Ų6729%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-128.6134.7178.9177.80000110.3H114 F115 H117 L147 E151H114-V149 WeakPolarHBondContact NE2-CB 3.3Å; H114-V149 WeakPolarHBondContact NE2-CG2 3.47Å; F115-V149 PolarHBondContact O-N 3.3Å; H117-V149 PolarHBondContact N-O 2.92Å; L147-V149 HydrophobicContact CD2-CG2 3.79Å; L147-V149 HydrophobicContact CG-CG2 3.94Å; V149-E151 PolarHBondContact O-N 3.06Å
150E96.9Very high93.4Very high63 Ų6367.5 Ų67.529%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-76.6110.9162.4-62.5-64.616500107.6H117 S126 R130 F148H117-E150 IonicContact CE1-OE2 2.9Å; H117-E150 IonicContact CG-OE2 3.71Å; H117-E150 IonicContact ND1-OE1 3.73Å; H117-E150 PolarHBondContact ND1-OE1 2.93Å; H117-E150 IonicContact ND1-OE2 3.6Å; H117-E150 PolarHBondContact ND1-OE2 3.32Å; S126-E150 WeakPolarHBondContact CB-OE1 3.37Å; S126-E150 PolarHBondContact OG-OE1 3.38Å; R130-E150 IonicContact NH2-OE1 2.73Å; F148-E150 HydrophobicContact CE1-CG 4.33Å; F148-E150 VanDerWaalsContact CE1-OE1 3.3Å; F148-E150 WeakPolarHBondContact CE1-OE1 3.38Å
151E95.1Very high93.6Very high51 Ų5167.5 Ų67.524%0.23839%0.388CS..  trans-83.9149.7-177.1-72-79.2172.800111H114 A116 H117 Y118 V149 C153H114-E151 IonicContact CE1-OE1 3.67Å; A116-E151 HydrophobicContact CB-CG 3.63Å; H117-E151 PolarHBondContact O-N 2.75Å; Y118-E151 HydrophobicContact CD1-CB 3.57Å; Y118-E151 HydrophobicContact CD1-CG 4.36Å; Y118-E151 HydrophobicContact CE1-CB 3.26Å; Y118-E151 HydrophobicContact CE1-CG 3.73Å; Y118-E151 HydrophobicContact CE2-CB 4.48Å; Y118-E151 HydrophobicContact CE2-CG 4.28Å; Y118-E151 HydrophobicContact CG-CB 4.29Å; V149-E151 PolarHBondContact O-N 3.06Å; E151-C153 PolarHBondContact O-N 3.09Å
152P92.3Very high94.1Very high90 Ų9064.6 Ų64.658%0.58436%0.358SS*.  trans-54.3116.6167.3-24.234.6000110.5
153C93.2Very high94.7Very high21 Ų2162.9 Ų62.914%0.14234%0.343CS..  trans-123.6136.2-176.9-174.80000109.6D119 E151 S155 I169D119-C153 WeakPolarHBondContact O-CB 3.17Å; E151-C153 PolarHBondContact O-N 3.09Å; C153-S155 PolarHBondContact O-N 3.35Å; C153-I169 WeakPolarHBondContact SG-CD1 3.49Å
154P93.6Very high95.4Very high12 Ų1258.6 Ų58.68%0.07830%0.299CS..PPolyproline II helixtrans-62.4132172.813-13.1000110.2Y165 V187 I190P154-Y165 HydrophobicContact CB-CE1 4.07Å; P154-Y165 HydrophobicContact CG-CE1 4.29Å; P154-Y165 WeakPolarHBondContact O-CE1 3.21Å; P154-V187 HydrophobicContact CB-CG1 4Å; P154-V187 HydrophobicContact CG-CG1 4.06Å; P154-I190 HydrophobicContact CB-CB 4.49Å; P154-I190 VanDerWaalsContact CB-O 3.26Å; P154-I190 WeakPolarHBondContact CB-O 3.34Å; P154-I190 HydrophobicContact CG-CB 3.74Å; P154-I190 HydrophobicContact CG-CG2 3.99Å
155S93.4Very high95.7Very high76 Ų7650.9 Ų50.953%0.53127%0.27SS..PPolyproline II helixtrans-82.5135.2-175.7-53.50000111.4S120 C153 Y165S120-S155 WeakPolarHBondContact O-CA 3.37Å; C153-S155 PolarHBondContact O-N 3.35Å; S155-Y165 PolarHBondContact O-OH 3.43Å
156Q93.9Very high96Very high26 Ų2642.8 Ų42.812%0.12124%0.235CC..PPolyproline II helixtrans-68.5146.4170.969-170.476.600110.3S120 N158 Y165S120-Q156 PolarHBondContact O-N 3.18Å; S120-Q156 PolarHBondContact OG-OE1 3.49Å; Q156-N158 WeakPolarHBondContact CG-O 3.46Å; Q156-N158 PolarHBondContact NE2-O 2.68Å; Q156-Y165 HydrophobicContact CB-CD2 4.03Å; Q156-Y165 HydrophobicContact CB-CE2 3.52Å
157Q95.3Very high96.1Very high168 Ų16842.4 Ų42.479%0.78523%0.232SC*.SBendtrans-108.810.9177.1-62.9-154.822.400113.4P192Q157-P192 HydrophobicContact CB-CG 4.24Å; Q157-P192 HydrophobicContact CG-CG 3.89Å
158N95.4Very high96.2Very high43 Ų4337.3 Ų37.323%0.2321%0.205CC..SBendtrans-139.3-177.5175.862.648.9000110Q156 Y160 D161Q156-N158 WeakPolarHBondContact CG-O 3.46Å; Q156-N158 PolarHBondContact NE2-O 2.68Å; N158-Y160 HydrophobicContact CB-CD1 3.97Å; N158-Y160 HydrophobicContact CB-CE1 3.58Å; N158-Y160 PolarHBondContact OD1-N 3.4Å; N158-D161 PolarHBondContact ND2-OD2 3.3Å; N158-D161 WeakPolarHBondContact OD1-CB 3.39Å; N158-D161 PolarHBondContact OD1-N 2.99Å
159S94.4Very high96.2Very high85 Ų8535.9 Ų35.959%0.59420%0.199SC*.SBendtrans-96.62.6-176.657.50000114.7W26W26-S159 PolarHBondContact NE1-O 3.2Å
160Y96.2Very high96.3Very high60 Ų6033.6 Ų33.624%0.23519%0.185CC..SBendtrans-130.2-8.3-164.856.6-98.7000116.3P24 N158 R199P24-Y160 HydrophobicContact CB-CD1 3.62Å; P24-Y160 HydrophobicContact CB-CD2 4.17Å; P24-Y160 HydrophobicContact CB-CE1 3.3Å; P24-Y160 HydrophobicContact CB-CE2 3.91Å; P24-Y160 HydrophobicContact CB-CG 4.04Å; P24-Y160 VanDerWaalsContact CB-CZ 3.46Å; P24-Y160 WeakPolarHBondContact O-CB 3.32Å; N158-Y160 HydrophobicContact CB-CD1 3.97Å; N158-Y160 HydrophobicContact CB-CE1 3.58Å; N158-Y160 PolarHBondContact OD1-N 3.4Å; Y160-R199 PolarHBondContact O-NH2 2.76Å; Y160-R199 VanDerWaalsContact O-NH2 3.15Å
161D97.7Very high96.3Very high1 Ų131 Ų311%0.00517%0.173CC..  trans-90.8-1.4-174.5-81.6-22.4000115.8N158 G163 M164 Y165 I195 R199N158-D161 PolarHBondContact ND2-OD2 3.3Å; N158-D161 WeakPolarHBondContact OD1-CB 3.39Å; N158-D161 PolarHBondContact OD1-N 2.99Å; D161-G163 PolarHBondContact O-N 3.14Å; D161-G163 VanDerWaalsContact O-N 3.11Å; D161-M164 WeakPolarHBondContact O-CA 3.43Å; D161-M164 WeakPolarHBondContact O-CB 3.27Å; D161-M164 PolarHBondContact O-N 3.07Å; D161-Y165 HydrophobicContact CB-CD2 3.99Å; D161-Y165 HydrophobicContact CB-CE2 3.96Å; D161-Y165 WeakPolarHBondContact O-CD2 3.48Å; D161-Y165 PolarHBondContact O-N 2.98Å; D161-I195 HydrophobicContact CB-CG2 3.89Å; D161-I195 WeakPolarHBondContact OD2-CG2 3.26Å; D161-R199 IonicContact OD1-CZ 3.07Å; D161-R199 IonicContact OD1-NE 2.67Å; D161-R199 PolarHBondContact OD1-NE 3.43Å; D161-R199 IonicContact OD1-NH2 3.47Å; D161-R199 PolarHBondContact OD1-NH2 3.15Å
162C97.6Very high96.4Very high2 Ų229.1 Ų29.11%0.01417%0.167CC..Hα-helixtrans-48.9-43.9-177.855.50000113.2H102 W103 M164 Y165 V166H102-C162 WeakPolarHBondContact CE1-CB 3.48Å; H102-C162 WeakPolarHBondContact ND1-CB 3.48Å; W103-C162 HydrophobicContact CB-CB 4.26Å; C162-M164 PolarHBondContact O-N 3.47Å; C162-Y165 WeakPolarHBondContact O-CB 3.46Å; C162-Y165 PolarHBondContact O-N 2.8Å; C162-V166 PolarHBondContact O-N 2.67Å; C162-V166 VanDerWaalsContact O-N 3.08Å
163G98.1Very high96.7Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-63.8-36.5175.300000114D161 V166 I167D161-G163 PolarHBondContact O-N 3.14Å; D161-G163 VanDerWaalsContact O-N 3.11Å; G163-V166 WeakPolarHBondContact O-CB 3.18Å; G163-V166 PolarHBondContact O-N 2.85Å; G163-I167 WeakPolarHBondContact O-CG1 3.49Å; G163-I167 PolarHBondContact O-N 2.83Å
164M98.4Very high96.8Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-69.1-35.8174.4-77.3-61.7-52.600112.2L21 L27 D161 C162 V166 I167 C168 I195 K198 R199L21-M164 HydrophobicContact CD2-SD 3.97Å; L27-M164 HydrophobicContact CD1-CG 3.87Å; L27-M164 HydrophobicContact CD1-SD 3.69Å; L27-M164 HydrophobicContact CG-CG 4.39Å; D161-M164 WeakPolarHBondContact O-CA 3.43Å; D161-M164 WeakPolarHBondContact O-CB 3.27Å; D161-M164 PolarHBondContact O-N 3.07Å; C162-M164 PolarHBondContact O-N 3.47Å; M164-V166 VanDerWaalsContact C-N 3.33Å; M164-I167 PolarHBondContact O-N 3.08Å; M164-I167 HydrophobicContact SD-CD1 4.47Å; M164-C168 WeakPolarHBondContact O-CB 3.46Å; M164-C168 PolarHBondContact O-N 2.96Å; M164-C168 PolarHBondContact O-SG 3.47Å; M164-I195 HydrophobicContact CB-CD1 4.48Å; M164-I195 HydrophobicContact CB-CG2 3.6Å; M164-I195 HydrophobicContact CG-CG2 4.24Å; M164-K198 HydrophobicContact CE-CB 3.54Å; M164-R199 HydrophobicContact CE-CG 3.93Å; M164-R199 HydrophobicContact CG-CG 3.57Å; M164-R199 HydrophobicContact SD-CG 3.64Å
165Y98.3Very high96.9Very high2 Ų224.9 Ų24.91%0.00814%0.136CC..Hα-helixtrans-61.7-42.5172.7-84.2-92.6000110.8P154 S155 Q156 D161 C162 I167 C168 I169 I190 I195P154-Y165 HydrophobicContact CB-CE1 4.07Å; P154-Y165 HydrophobicContact CG-CE1 4.29Å; P154-Y165 WeakPolarHBondContact O-CE1 3.21Å; S155-Y165 PolarHBondContact O-OH 3.43Å; Q156-Y165 HydrophobicContact CB-CD2 4.03Å; Q156-Y165 HydrophobicContact CB-CE2 3.52Å; D161-Y165 HydrophobicContact CB-CD2 3.99Å; D161-Y165 HydrophobicContact CB-CE2 3.96Å; D161-Y165 WeakPolarHBondContact O-CD2 3.48Å; D161-Y165 PolarHBondContact O-N 2.98Å; C162-Y165 WeakPolarHBondContact O-CB 3.46Å; C162-Y165 PolarHBondContact O-N 2.8Å; Y165-I167 PolarHBondContact O-N 3.32Å; Y165-C168 PolarHBondContact O-N 3.41Å; Y165-I169 HydrophobicContact CD1-CD1 4.34Å; Y165-I169 WeakPolarHBondContact O-CB 3.37Å; Y165-I169 WeakPolarHBondContact O-CD1 3.43Å; Y165-I169 WeakPolarHBondContact O-CG1 3.4Å; Y165-I169 PolarHBondContact O-N 2.95Å; Y165-I190 HydrophobicContact CD1-CG2 3.96Å; Y165-I190 HydrophobicContact CE1-CG2 3.87Å; Y165-I195 HydrophobicContact CD1-CD1 4.26Å; Y165-I195 HydrophobicContact CD1-CG1 4.48Å; Y165-I195 HydrophobicContact CD2-CD1 4.19Å; Y165-I195 HydrophobicContact CD2-CG1 4.12Å; Y165-I195 HydrophobicContact CE1-CD1 4.38Å; Y165-I195 HydrophobicContact CE1-CG1 4.13Å; Y165-I195 HydrophobicContact CE2-CD1 4.3Å; Y165-I195 HydrophobicContact CE2-CG1 3.73Å; Y165-I195 HydrophobicContact CE2-CG2 4.44Å; Y165-I195 HydrophobicContact CG-CD1 4.17Å; Y165-I195 HydrophobicContact CG-CG1 4.47Å
166V98.6Very high96.9Very high3 Ų323.8 Ų23.82%0.01812%0.122CC..Hα-helixtrans-54.4-51.6173.9173.20000111.4I32 F36 A89 W103 S104 L105 C162 G163 M164 A170I32-V166 HydrophobicContact CG2-CG1 4.27Å; F36-V166 HydrophobicContact CE1-CG1 4.36Å; F36-V166 HydrophobicContact CZ-CG1 4.23Å; A89-V166 HydrophobicContact CB-CG1 4.26Å; W103-V166 HydrophobicContact CB-CG2 3.91Å; S104-V166 WeakPolarHBondContact O-CG2 3.28Å; L105-V166 HydrophobicContact CB-CG1 4.26Å; L105-V166 HydrophobicContact CB-CG2 4.43Å; L105-V166 HydrophobicContact CD1-CG1 4.09Å; C162-V166 PolarHBondContact O-N 2.67Å; C162-V166 VanDerWaalsContact O-N 3.08Å; G163-V166 WeakPolarHBondContact O-CB 3.18Å; G163-V166 PolarHBondContact O-N 2.85Å; M164-V166 VanDerWaalsContact C-N 3.33Å; V166-A170 WeakPolarHBondContact O-CB 3.43Å; V166-A170 PolarHBondContact O-N 3.49Å
167I98.7Very high96.8Very high1 Ų122.9 Ų22.91%0.00512%0.118CC..Hα-helixtrans-61.8-49.7-179.4-65.6170.8000111.2L27 V31 I32 A35 F39 G163 M164 Y165 A170 E171 W202L27-I167 HydrophobicContact CD1-CD1 3.7Å; V31-I167 HydrophobicContact CG1-CD1 4.48Å; I32-I167 HydrophobicContact CG1-CD1 4.28Å; I32-I167 HydrophobicContact CG1-CG1 4.45Å; A35-I167 HydrophobicContact CB-CB 4.47Å; A35-I167 HydrophobicContact CB-CD1 3.82Å; A35-I167 HydrophobicContact CB-CG1 3.78Å; A35-I167 HydrophobicContact CB-CG2 3.91Å; F39-I167 HydrophobicContact CE2-CG2 4.31Å; F39-I167 HydrophobicContact CZ-CG2 3.89Å; G163-I167 WeakPolarHBondContact O-CG1 3.49Å; G163-I167 PolarHBondContact O-N 2.83Å; M164-I167 PolarHBondContact O-N 3.08Å; M164-I167 HydrophobicContact SD-CD1 4.47Å; Y165-I167 PolarHBondContact O-N 3.32Å; I167-A170 PolarHBondContact O-N 2.95Å; I167-E171 WeakPolarHBondContact O-CB 3.39Å; I167-E171 PolarHBondContact O-N 2.9Å; I167-W202 HydrophobicContact CG2-CD2 4.5Å; I167-W202 HydrophobicContact CG2-CH2 4.39Å; I167-W202 HydrophobicContact CG2-CZ2 3.47Å; I167-W202 VanDerWaalsContact CG2-CZ2 3.47Å
168C98.4Very high96.4Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-69.5-36.3-175.1-67.50000112.9M164 Y165 A172 I190 Y194 I195M164-C168 WeakPolarHBondContact O-CB 3.46Å; M164-C168 PolarHBondContact O-N 2.96Å; M164-C168 PolarHBondContact O-SG 3.47Å; Y165-C168 PolarHBondContact O-N 3.41Å; C168-A172 WeakPolarHBondContact O-CB 3.44Å; C168-A172 PolarHBondContact O-N 3.15Å; C168-I190 HydrophobicContact CB-CG2 4.46Å; C168-Y194 HydrophobicContact CB-CE1 4.02Å; C168-I195 HydrophobicContact CB-CD1 3.79Å; C168-I195 VanDerWaalsContact SG-CD1 3.58Å
169I98.3Very high96Very high2 Ų224.8 Ų24.81%0.0112%0.123CC..Hα-helixtrans-68.6-44.4176.3-68.2169.5000109.6L105 Y118 C153 Y165 E171 A172 L173 L185 I190L105-I169 HydrophobicContact CD2-CB 4.11Å; L105-I169 HydrophobicContact CD2-CG2 3.54Å; Y118-I169 HydrophobicContact CD1-CG2 4.2Å; Y118-I169 HydrophobicContact CD2-CG2 4.16Å; Y118-I169 HydrophobicContact CG-CG2 3.86Å; C153-I169 WeakPolarHBondContact SG-CD1 3.49Å; Y165-I169 HydrophobicContact CD1-CD1 4.34Å; Y165-I169 WeakPolarHBondContact O-CB 3.37Å; Y165-I169 WeakPolarHBondContact O-CD1 3.43Å; Y165-I169 WeakPolarHBondContact O-CG1 3.4Å; Y165-I169 PolarHBondContact O-N 2.95Å; I169-E171 VanDerWaalsContact C-N 3.34Å; I169-E171 PolarHBondContact O-N 3.11Å; I169-A172 PolarHBondContact O-N 3.13Å; I169-L173 HydrophobicContact CG2-CD1 3.77Å; I169-L173 HydrophobicContact CG2-CG 4.34Å; I169-L173 WeakPolarHBondContact O-CB 3.43Å; I169-L173 WeakPolarHBondContact O-CG 3.07Å; I169-L173 PolarHBondContact O-N 3.48Å; I169-L185 HydrophobicContact CB-CD1 4.2Å; I169-L185 HydrophobicContact CD1-CD2 4.47Å; I169-L185 HydrophobicContact CG1-CD1 4.2Å; I169-L185 HydrophobicContact CG1-CD2 4.22Å; I169-L185 HydrophobicContact CG2-CD1 3.71Å; I169-L185 HydrophobicContact CG2-CD2 4.07Å; I169-I190 HydrophobicContact CB-CD1 4.42Å; I169-I190 HydrophobicContact CG1-CD1 3.69Å
170A98.3Very high95.7Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-59.1-46.1175.100000111.3F36 F39 F87 L105 V166 I167 A172 L173 C174F36-A170 HydrophobicContact CE1-CB 4.06Å; F39-A170 HydrophobicContact CE2-CB 4.04Å; F87-A170 HydrophobicContact CD1-CB 4.32Å; L105-A170 HydrophobicContact CD1-CB 4.26Å; L105-A170 HydrophobicContact CD2-CB 4.01Å; V166-A170 WeakPolarHBondContact O-CB 3.43Å; V166-A170 PolarHBondContact O-N 3.49Å; I167-A170 PolarHBondContact O-N 2.95Å; A170-A172 PolarHBondContact O-N 3.07Å; A170-L173 PolarHBondContact O-N 2.92Å; A170-C174 PolarHBondContact O-N 3.34Å; A170-C174 PolarHBondContact O-SG 3.4Å
171E98Very high94.9Very high7 Ų725.7 Ų25.73%0.03314%0.135CC..Hα-helixtrans-56.1-52.1175-167.5180-168.400111.3F39 R43 F44 I167 I169 L173 C174 E175 K198F39-E171 HydrophobicContact CE1-CB 4.1Å; F39-E171 HydrophobicContact CE1-CG 4.06Å; F39-E171 HydrophobicContact CE2-CB 4.37Å; F39-E171 HydrophobicContact CZ-CB 3.66Å; F39-E171 HydrophobicContact CZ-CG 4.14Å; R43-E171 IonicContact CZ-OE1 3.16Å; R43-E171 IonicContact NE-OE1 3.56Å; R43-E171 PolarHBondContact NE-OE1 2.79Å; R43-E171 IonicContact NH1-OE1 2.87Å; R43-E171 PolarHBondContact NH1-OE1 3.07Å; R43-E171 VanDerWaalsContact NH1-OE1 3.14Å; R43-E171 IonicContact NH2-OE1 3.48Å; R43-E171 PolarHBondContact NH2-OE1 3.2Å; F44-E171 HydrophobicContact CE2-CG 4.17Å; F44-E171 HydrophobicContact CZ-CG 3.93Å; F44-E171 WeakPolarHBondContact CZ-O 3.4Å; I167-E171 WeakPolarHBondContact O-CB 3.39Å; I167-E171 PolarHBondContact O-N 2.9Å; I169-E171 VanDerWaalsContact C-N 3.34Å; I169-E171 PolarHBondContact O-N 3.11Å; E171-L173 PolarHBondContact O-N 2.97Å; E171-C174 PolarHBondContact O-N 3.11Å; E171-E175 WeakPolarHBondContact O-CG 3.48Å; E171-E175 PolarHBondContact O-N 3.41Å; E171-K198 IonicContact OE1-NZ 3.22Å; E171-K198 PolarHBondContact OE1-NZ 3.33Å; E171-K198 VanDerWaalsContact OE1-NZ 3.08Å; E171-K198 WeakPolarHBondContact OE2-CE 3.25Å; E171-K198 IonicContact OE2-NZ 3.82Å; E171-K198 PolarHBondContact OE2-NZ 3.27Å
172A97.1Very high94.1Very high13 Ų1327.7 Ų27.711%0.10715%0.149CC..Hα-helixtrans-64.1-37.6-177.900000113.1C168 I169 A170 K176 L185 P186 I190C168-A172 WeakPolarHBondContact O-CB 3.44Å; C168-A172 PolarHBondContact O-N 3.15Å; I169-A172 PolarHBondContact O-N 3.13Å; A170-A172 PolarHBondContact O-N 3.07Å; A172-K176 VanDerWaalsContact O-CG 3.32Å; A172-K176 WeakPolarHBondContact O-CG 3.46Å; A172-K176 PolarHBondContact O-N 3.36Å; A172-L185 HydrophobicContact CB-CD1 4.11Å; A172-P186 HydrophobicContact CB-CG 4.34Å; A172-I190 HydrophobicContact CB-CD1 4.09Å
173L96.9Very high93.3Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-66.2-40.3175.9-70167.6000111.3F87 L105 L107 Y118 I169 A170 E171 K176 V177 P183 L185F87-L173 HydrophobicContact CE1-CB 4.03Å; F87-L173 HydrophobicContact CE1-CD1 4.22Å; F87-L173 HydrophobicContact CZ-CB 4.44Å; L105-L173 HydrophobicContact CD2-CD1 3.94Å; L107-L173 HydrophobicContact CD2-CD1 3.99Å; Y118-L173 HydrophobicContact CD2-CD1 4.12Å; Y118-L173 HydrophobicContact CE2-CD1 3.62Å; I169-L173 HydrophobicContact CG2-CD1 3.77Å; I169-L173 HydrophobicContact CG2-CG 4.34Å; I169-L173 WeakPolarHBondContact O-CB 3.43Å; I169-L173 WeakPolarHBondContact O-CG 3.07Å; I169-L173 PolarHBondContact O-N 3.48Å; A170-L173 PolarHBondContact O-N 2.92Å; E171-L173 PolarHBondContact O-N 2.97Å; L173-K176 PolarHBondContact O-N 3.4Å; L173-V177 WeakPolarHBondContact O-CG2 3.33Å; L173-V177 PolarHBondContact O-N 3.43Å; L173-P183 HydrophobicContact CB-CB 4.32Å; L173-P183 HydrophobicContact CD2-CB 3.85Å; L173-L185 HydrophobicContact CD2-CB 4.12Å; L173-L185 HydrophobicContact CD2-CD1 4.34Å; L173-L185 HydrophobicContact CG-CD1 4.21Å
174C96.6Very high92.8Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-66.4-41.6176.6-66.40000112.1F44 L47 F53 F87 A170 E171 K176 V177 R178F44-C174 HydrophobicContact CD1-CB 3.71Å; F44-C174 HydrophobicContact CD2-CB 3.64Å; F44-C174 HydrophobicContact CE1-CB 3.6Å; F44-C174 HydrophobicContact CE2-CB 3.52Å; F44-C174 HydrophobicContact CG-CB 3.72Å; F44-C174 HydrophobicContact CZ-CB 3.51Å; L47-C174 HydrophobicContact CD1-CB 4.18Å; F53-C174 WeakPolarHBondContact CZ-SG 3.33Å; F87-C174 VanDerWaalsContact CZ-SG 3.51Å; A170-C174 PolarHBondContact O-N 3.34Å; A170-C174 PolarHBondContact O-SG 3.4Å; E171-C174 PolarHBondContact O-N 3.11Å; C174-K176 VanDerWaalsContact C-N 3.28Å; C174-K176 PolarHBondContact O-N 2.9Å; C174-V177 PolarHBondContact O-N 3.39Å; C174-R178 WeakPolarHBondContact O-CB 3.49Å; C174-R178 PolarHBondContact O-N 3.03Å
175E95.3Very high92.3Very high34 Ų3437.5 Ų37.516%0.15919%0.188CC..Hα-helixtrans-57.9-42.4172.9-71.4-65.2172.600111.7R43 F44 E171 R178 L179R43-E175 IonicContact CZ-OE1 2.62Å; R43-E175 IonicContact NE-OE1 3.3Å; R43-E175 PolarHBondContact NE-OE1 2.93Å; R43-E175 IonicContact NH2-OE1 3.29Å; R43-E175 PolarHBondContact NH2-OE1 3.09Å; F44-E175 HydrophobicContact CE1-CG 3.91Å; F44-E175 WeakPolarHBondContact CE1-OE1 3.39Å; F44-E175 HydrophobicContact CZ-CG 3.96Å; E171-E175 WeakPolarHBondContact O-CG 3.48Å; E171-E175 PolarHBondContact O-N 3.41Å; E175-R178 PolarHBondContact O-N 2.86Å; E175-R178 IonicContact OE1-NH2 3.57Å; E175-R178 PolarHBondContact OE1-NH2 3.11Å; E175-R178 IonicContact OE2-CZ 2.71Å; E175-R178 IonicContact OE2-NE 3.81Å; E175-R178 PolarHBondContact OE2-NE 3.44Å; E175-R178 IonicContact OE2-NH2 3.4Å; E175-R178 PolarHBondContact OE2-NH2 3.34Å; E175-L179 WeakPolarHBondContact O-CB 3.49Å; E175-L179 VanDerWaalsContact O-CG 3.31Å; E175-L179 WeakPolarHBondContact O-CG 3.49Å; E175-L179 PolarHBondContact O-N 3.08Å
176K93.2Very high91.6Very high52 Ų5238.9 Ų38.923%0.22620%0.197CC..Hα-helixtrans-69.1-38.3177.7-73.4-70.6-168.7-172.50113.2A172 L173 C174 R178 L179 E180 S182 R184A172-K176 VanDerWaalsContact O-CG 3.32Å; A172-K176 WeakPolarHBondContact O-CG 3.46Å; A172-K176 PolarHBondContact O-N 3.36Å; L173-K176 PolarHBondContact O-N 3.4Å; C174-K176 VanDerWaalsContact C-N 3.28Å; C174-K176 PolarHBondContact O-N 2.9Å; K176-R178 VanDerWaalsContact C-N 3.32Å; K176-R178 PolarHBondContact O-N 2.84Å; K176-L179 PolarHBondContact O-N 3.22Å; K176-E180 WeakPolarHBondContact CD-OE1 3.14Å; K176-E180 IonicContact NZ-OE1 3.7Å; K176-E180 PolarHBondContact NZ-OE1 3.24Å; K176-E180 WeakPolarHBondContact O-CA 3.31Å; K176-E180 WeakPolarHBondContact O-CB 3.36Å; K176-E180 PolarHBondContact O-N 2.83Å; K176-S182 CarbonylContact C-O 3.58Å; K176-R184 WeakPolarHBondContact CG-O 3.33Å
177V91.4Very high90.9Very high8 Ų841.4 Ų41.45%0.04821%0.213CC..Hα-helixtrans-59.9-44.7170.91680000110.8L47 W85 L173 C174 L179 G181 P183L47-V177 HydrophobicContact CD2-CG1 3.85Å; W85-V177 HydrophobicContact CD2-CG1 4.1Å; W85-V177 HydrophobicContact CD2-CG2 4.37Å; W85-V177 HydrophobicContact CE3-CG1 4.04Å; W85-V177 HydrophobicContact CH2-CG1 3.34Å; W85-V177 HydrophobicContact CZ2-CB 4.45Å; W85-V177 HydrophobicContact CZ2-CG1 3.4Å; W85-V177 VanDerWaalsContact CZ2-CG1 3.4Å; W85-V177 HydrophobicContact CZ2-CG2 4.17Å; W85-V177 HydrophobicContact CZ3-CG1 3.67Å; L173-V177 WeakPolarHBondContact O-CG2 3.33Å; L173-V177 PolarHBondContact O-N 3.43Å; C174-V177 PolarHBondContact O-N 3.39Å; V177-L179 PolarHBondContact O-N 3.2Å; V177-G181 WeakPolarHBondContact O-CA 3.37Å; V177-G181 PolarHBondContact O-N 3.33Å; V177-P183 HydrophobicContact CG2-CB 3.74Å; V177-P183 HydrophobicContact CG2-CG 3.82Å
178R88.6Confident90.2Very high126 Ų12650.3 Ų50.348%0.47525%0.254SS..Hα-helixtrans-63.4-41.2179.8-175.217670.6167.45.6112.7V46 C174 E175 K176V46-R178 HydrophobicContact CG1-CG 4.4Å; C174-R178 WeakPolarHBondContact O-CB 3.49Å; C174-R178 PolarHBondContact O-N 3.03Å; E175-R178 PolarHBondContact O-N 2.86Å; E175-R178 IonicContact OE1-NH2 3.57Å; E175-R178 PolarHBondContact OE1-NH2 3.11Å; E175-R178 IonicContact OE2-CZ 2.71Å; E175-R178 IonicContact OE2-NE 3.81Å; E175-R178 PolarHBondContact OE2-NE 3.44Å; E175-R178 IonicContact OE2-NH2 3.4Å; E175-R178 PolarHBondContact OE2-NH2 3.34Å; K176-R178 VanDerWaalsContact C-N 3.32Å; K176-R178 PolarHBondContact O-N 2.84Å
179L86.2Confident89.8Confident124 Ų12454.9 Ų54.965%0.64928%0.278SS*.Hα-helixtrans-85.9-39.7-174.7-67.3171.6000113.7E175 K176 V177E175-L179 WeakPolarHBondContact O-CB 3.49Å; E175-L179 VanDerWaalsContact O-CG 3.31Å; E175-L179 WeakPolarHBondContact O-CG 3.49Å; E175-L179 PolarHBondContact O-N 3.08Å; K176-L179 PolarHBondContact O-N 3.22Å; V177-L179 PolarHBondContact O-N 3.2Å
180E87Confident89.6Confident111 Ų11155 Ų5552%0.51928%0.278SS..Hα-helixtrans-121.4-4.5-167.5-61.4172.4-157.700112.7K176 S182K176-E180 WeakPolarHBondContact CD-OE1 3.14Å; K176-E180 IonicContact NZ-OE1 3.7Å; K176-E180 PolarHBondContact NZ-OE1 3.24Å; K176-E180 WeakPolarHBondContact O-CA 3.31Å; K176-E180 WeakPolarHBondContact O-CB 3.36Å; K176-E180 PolarHBondContact O-N 2.83Å; E180-S182 PolarHBondContact O-N 2.73Å
181G80.9Confident89.5Confident54 Ų5457.8 Ų57.856%0.55730%0.295SS*.SBendtrans70.85.1-176.500000114.4V177V177-G181 WeakPolarHBondContact O-CA 3.37Å; V177-G181 PolarHBondContact O-N 3.33Å
182S80.9Confident89.5Confident42 Ų4259.5 Ų59.529%0.29431%0.307SS..SBendtrans-139129.2-176.2-1710000111.7K176 E180 R184K176-S182 CarbonylContact C-O 3.58Å; E180-S182 PolarHBondContact O-N 2.73Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R184 VanDerWaalsContact O-N 3.13Å
183P80.7Confident89.4Confident6 Ų662.3 Ų62.34%0.03933%0.33CS..  trans-76.2101.4175.717.5-12.1000109.9L107 R109 L173 V177L107-P183 HydrophobicContact CD2-CB 3.93Å; L107-P183 HydrophobicContact CD2-CG 4.09Å; R109-P183 HydrophobicContact CG-CG 4.28Å; R109-P183 PolarHBondContact NH1-O 3.44Å; R109-P183 PolarHBondContact NH2-O 3.04Å; L173-P183 HydrophobicContact CB-CB 4.32Å; L173-P183 HydrophobicContact CD2-CB 3.85Å; V177-P183 HydrophobicContact CG2-CB 3.74Å; V177-P183 HydrophobicContact CG2-CG 3.82Å
184R86.1Confident89.4Confident179 Ų17964.8 Ų64.868%0.67534%0.34SS*.  trans-123.5117.9169.1-72.4-176.3177.8177.60.4108.7K176 S182 P186K176-R184 WeakPolarHBondContact CG-O 3.33Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R184 VanDerWaalsContact O-N 3.13Å; R184-P186 VanDerWaalsContact O-CD 3.28Å; R184-P186 WeakPolarHBondContact O-CD 3.37Å
185L88.3Confident89.5Confident24 Ų2464.8 Ų64.813%0.12634%0.34CS..  trans-67.8121.9-175.8-170.965.7000110.4Y118 I169 A172 L173 V187 I190Y118-L185 HydrophobicContact CD1-CD2 3.69Å; Y118-L185 HydrophobicContact CE1-CB 3.94Å; Y118-L185 HydrophobicContact CE1-CD2 3.85Å; Y118-L185 HydrophobicContact CE1-CG 4.48Å; I169-L185 HydrophobicContact CB-CD1 4.2Å; I169-L185 HydrophobicContact CD1-CD2 4.47Å; I169-L185 HydrophobicContact CG1-CD1 4.2Å; I169-L185 HydrophobicContact CG1-CD2 4.22Å; I169-L185 HydrophobicContact CG2-CD1 3.71Å; I169-L185 HydrophobicContact CG2-CD2 4.07Å; A172-L185 HydrophobicContact CB-CD1 4.11Å; L173-L185 HydrophobicContact CD2-CB 4.12Å; L173-L185 HydrophobicContact CD2-CD1 4.34Å; L173-L185 HydrophobicContact CG-CD1 4.21Å; L185-V187 VanDerWaalsContact C-N 3.28Å; L185-V187 HydrophobicContact CB-CG2 4.47Å; L185-V187 HydrophobicContact CD2-CG2 4.21Å; L185-V187 HydrophobicContact CG-CG2 4.31Å; L185-V187 PolarHBondContact O-N 3.29Å; L185-I190 HydrophobicContact CD1-CD1 3.76Å
186P84.9Confident89.6Confident30 Ų3067.1 Ų67.120%0.19536%0.356CS..  trans-79.480.4171.833-34.4000109.7A172 R184 Q188 I189A172-P186 HydrophobicContact CB-CG 4.34Å; R184-P186 VanDerWaalsContact O-CD 3.28Å; R184-P186 WeakPolarHBondContact O-CD 3.37Å; P186-Q188 PolarHBondContact O-N 3.3Å; P186-I189 HydrophobicContact CB-CB 4.47Å; P186-I189 HydrophobicContact CB-CD1 3.66Å; P186-I189 HydrophobicContact CB-CG1 3.99Å; P186-I189 HydrophobicContact CG-CB 4.46Å; P186-I189 HydrophobicContact CG-CD1 3.82Å; P186-I189 HydrophobicContact CG-CG1 4.35Å; P186-I189 PolarHBondContact O-N 3.33Å
187V82.9Confident89.8Confident57 Ų5769.9 Ų69.935%0.34537%0.37SS..THydrogen-bonded Turntrans-54-30-173.3-178.10000113.1P154 L185 I189P154-V187 HydrophobicContact CB-CG1 4Å; P154-V187 HydrophobicContact CG-CG1 4.06Å; L185-V187 VanDerWaalsContact C-N 3.28Å; L185-V187 HydrophobicContact CB-CG2 4.47Å; L185-V187 HydrophobicContact CD2-CG2 4.21Å; L185-V187 HydrophobicContact CG-CG2 4.31Å; L185-V187 PolarHBondContact O-N 3.29Å; V187-I189 VanDerWaalsContact C-N 3.28Å; V187-I189 PolarHBondContact O-N 3.49Å
188Q85Confident90.1Very high187 Ų18770.3 Ų70.387%0.87437%0.371SS*.THydrogen-bonded Turntrans-70.9-19.8-179.5-61.7-179.23.400114P186P186-Q188 PolarHBondContact O-N 3.3Å
189I88.9Confident90.5Very high97 Ų9764.8 Ų64.850%0.49735%0.351SS..THydrogen-bonded Turntrans-83.8-37.3-177.5-60.9-179.4000110.9P186 V187 T191 Y194P186-I189 HydrophobicContact CB-CB 4.47Å; P186-I189 HydrophobicContact CB-CD1 3.66Å; P186-I189 HydrophobicContact CB-CG1 3.99Å; P186-I189 HydrophobicContact CG-CB 4.46Å; P186-I189 HydrophobicContact CG-CD1 3.82Å; P186-I189 HydrophobicContact CG-CG1 4.35Å; P186-I189 PolarHBondContact O-N 3.33Å; V187-I189 VanDerWaalsContact C-N 3.28Å; V187-I189 PolarHBondContact O-N 3.49Å; I189-T191 PolarHBondContact O-N 2.87Å; I189-Y194 HydrophobicContact CG2-CE2 4.27Å
190I94.7Very high91.1Very high3 Ų361.4 Ų61.42%0.01534%0.341CS..  trans-86.785.9-174.5-53.2177.3000109.1P154 Y165 C168 I169 A172 L185 Y194 I195P154-I190 HydrophobicContact CB-CB 4.49Å; P154-I190 VanDerWaalsContact CB-O 3.26Å; P154-I190 WeakPolarHBondContact CB-O 3.34Å; P154-I190 HydrophobicContact CG-CB 3.74Å; P154-I190 HydrophobicContact CG-CG2 3.99Å; Y165-I190 HydrophobicContact CD1-CG2 3.96Å; Y165-I190 HydrophobicContact CE1-CG2 3.87Å; C168-I190 HydrophobicContact CB-CG2 4.46Å; I169-I190 HydrophobicContact CB-CD1 4.42Å; I169-I190 HydrophobicContact CG1-CD1 3.69Å; A172-I190 HydrophobicContact CB-CD1 4.09Å; L185-I190 HydrophobicContact CD1-CD1 3.76Å; I190-Y194 HydrophobicContact CB-CD1 4.44Å; I190-Y194 HydrophobicContact CG1-CE1 4.24Å; I190-Y194 HydrophobicContact CG2-CD1 4.23Å; I190-I195 HydrophobicContact CG2-CD1 3.73Å; I190-I195 HydrophobicContact CG2-CG1 4.18Å
191T96.4Very high91.6Very high59 Ų5958.9 Ų58.936%0.36233%0.329SS..  trans-101.7164.1176.566.40000111.3I189 A193 Y194 I195I189-T191 PolarHBondContact O-N 2.87Å; T191-A193 VanDerWaalsContact C-N 3.27Å; T191-A193 PolarHBondContact O-N 3.29Å; T191-Y194 WeakPolarHBondContact O-CB 3.41Å; T191-Y194 PolarHBondContact O-N 3.28Å; T191-Y194 VanDerWaalsContact O-N 3.07Å; T191-Y194 WeakPolarHBondContact OG1-CB 3.33Å; T191-Y194 PolarHBondContact OG1-N 3.2Å; T191-I195 WeakPolarHBondContact O-CG1 3.44Å; T191-I195 PolarHBondContact O-N 3.02Å
192P96.4Very high92.4Very high43 Ų4356.8 Ų56.828%0.27930%0.304SS..Hα-helixtrans-55.2-39.8173.7-27.936.1000113.6Q157 Y194 I195 T196Q157-P192 HydrophobicContact CB-CG 4.24Å; Q157-P192 HydrophobicContact CG-CG 3.89Å; P192-Y194 VanDerWaalsContact C-N 3.35Å; P192-Y194 PolarHBondContact O-N 3.5Å; P192-I195 PolarHBondContact O-N 3.42Å; P192-T196 PolarHBondContact O-N 2.89Å; P192-T196 PolarHBondContact O-OG1 3.38Å
193A96.7Very high93.2Very high72 Ų7255.5 Ų55.560%0.59530%0.295SS*.Hα-helixtrans-63.9-40.117600000112.3T191 I195 T196 Q197T191-A193 VanDerWaalsContact C-N 3.27Å; T191-A193 PolarHBondContact O-N 3.29Å; A193-I195 VanDerWaalsContact C-N 3.35Å; A193-T196 PolarHBondContact O-N 3.16Å; A193-Q197 PolarHBondContact O-N 3.22Å
194Y96.9Very high94Very high52 Ų5262.2 Ų62.220%0.20432%0.319CS..Hα-helixtrans-62.1-42.1174174.1-91.7000111.7C168 I189 I190 T191 P192 Q197 K198C168-Y194 HydrophobicContact CB-CE1 4.02Å; I189-Y194 HydrophobicContact CG2-CE2 4.27Å; I190-Y194 HydrophobicContact CB-CD1 4.44Å; I190-Y194 HydrophobicContact CG1-CE1 4.24Å; I190-Y194 HydrophobicContact CG2-CD1 4.23Å; T191-Y194 WeakPolarHBondContact O-CB 3.41Å; T191-Y194 PolarHBondContact O-N 3.28Å; T191-Y194 VanDerWaalsContact O-N 3.07Å; T191-Y194 WeakPolarHBondContact OG1-CB 3.33Å; T191-Y194 PolarHBondContact OG1-N 3.2Å; P192-Y194 VanDerWaalsContact C-N 3.35Å; P192-Y194 PolarHBondContact O-N 3.5Å; Y194-Q197 PolarHBondContact O-N 3.16Å; Y194-K198 HydrophobicContact CD1-CG 4.1Å; Y194-K198 HydrophobicContact CE1-CD 4.46Å; Y194-K198 HydrophobicContact CE1-CG 3.71Å; Y194-K198 HydrophobicContact CE2-CG 4.33Å; Y194-K198 VanDerWaalsContact CZ-CE 3.48Å; Y194-K198 WeakPolarHBondContact O-CB 3.41Å; Y194-K198 WeakPolarHBondContact O-CG 3.38Å; Y194-K198 PolarHBondContact O-N 3.21Å; Y194-K198 WeakPolarHBondContact OH-CE 3.38Å
195I97.7Very high94.6Very high0 Ų055.2 Ų55.20%030%0.295CS..Hα-helixtrans-62.5-45.4176.7-66.4-62.1000111.5D161 M164 Y165 C168 I190 T191 P192 A193 Q197 K198 R199D161-I195 HydrophobicContact CB-CG2 3.89Å; D161-I195 WeakPolarHBondContact OD2-CG2 3.26Å; M164-I195 HydrophobicContact CB-CD1 4.48Å; M164-I195 HydrophobicContact CB-CG2 3.6Å; M164-I195 HydrophobicContact CG-CG2 4.24Å; Y165-I195 HydrophobicContact CD1-CD1 4.26Å; Y165-I195 HydrophobicContact CD1-CG1 4.48Å; Y165-I195 HydrophobicContact CD2-CD1 4.19Å; Y165-I195 HydrophobicContact CD2-CG1 4.12Å; Y165-I195 HydrophobicContact CE1-CD1 4.38Å; Y165-I195 HydrophobicContact CE1-CG1 4.13Å; Y165-I195 HydrophobicContact CE2-CD1 4.3Å; Y165-I195 HydrophobicContact CE2-CG1 3.73Å; Y165-I195 HydrophobicContact CE2-CG2 4.44Å; Y165-I195 HydrophobicContact CG-CD1 4.17Å; Y165-I195 HydrophobicContact CG-CG1 4.47Å; C168-I195 HydrophobicContact CB-CD1 3.79Å; C168-I195 VanDerWaalsContact SG-CD1 3.58Å; I190-I195 HydrophobicContact CG2-CD1 3.73Å; I190-I195 HydrophobicContact CG2-CG1 4.18Å; T191-I195 WeakPolarHBondContact O-CG1 3.44Å; T191-I195 PolarHBondContact O-N 3.02Å; P192-I195 PolarHBondContact O-N 3.42Å; A193-I195 VanDerWaalsContact C-N 3.35Å; I195-Q197 VanDerWaalsContact C-N 3.33Å; I195-Q197 PolarHBondContact O-N 3.04Å; I195-K198 PolarHBondContact O-N 3.23Å; I195-K198 VanDerWaalsContact O-N 3.17Å; I195-R199 PolarHBondContact O-N 2.98Å
196T96.9Very high95Very high83 Ų8354.1 Ų54.151%0.50929%0.289SS..Hα-helixtrans-59.9-43.3175-58.60000111.8P192 A193 K198 R199P192-T196 PolarHBondContact O-N 2.89Å; P192-T196 PolarHBondContact O-OG1 3.38Å; A193-T196 PolarHBondContact O-N 3.16Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.41Å; T196-R199 WeakPolarHBondContact O-CB 3.37Å; T196-R199 PolarHBondContact O-N 2.96Å
197Q97.4Very high95.6Very high110 Ų11057.2 Ų57.251%0.51430%0.301SS..Hα-helixtrans-61.6-43.6175.2179.6-177.7-20.800111.4A193 Y194 I195 R199 A200 E201A193-Q197 PolarHBondContact O-N 3.22Å; Y194-Q197 PolarHBondContact O-N 3.16Å; I195-Q197 VanDerWaalsContact C-N 3.33Å; I195-Q197 PolarHBondContact O-N 3.04Å; Q197-R199 VanDerWaalsContact C-N 3.32Å; Q197-R199 PolarHBondContact O-N 3.13Å; Q197-A200 PolarHBondContact O-N 2.72Å; Q197-A200 VanDerWaalsContact O-N 3.14Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.39Å; Q197-E201 PolarHBondContact NE2-OE1 3.03Å; Q197-E201 PolarHBondContact O-N 2.96Å
198K97.8Very high96.3Very high17 Ų1756.9 Ų56.97%0.07430%0.302CS..Hα-helixtrans-61.9-37179.9-81.8-77.6176.6-178.60112.7M164 E171 Y194 I195 T196 A200 E201 W202M164-K198 HydrophobicContact CE-CB 3.54Å; E171-K198 IonicContact OE1-NZ 3.22Å; E171-K198 PolarHBondContact OE1-NZ 3.33Å; E171-K198 VanDerWaalsContact OE1-NZ 3.08Å; E171-K198 WeakPolarHBondContact OE2-CE 3.25Å; E171-K198 IonicContact OE2-NZ 3.82Å; E171-K198 PolarHBondContact OE2-NZ 3.27Å; Y194-K198 HydrophobicContact CD1-CG 4.1Å; Y194-K198 HydrophobicContact CE1-CD 4.46Å; Y194-K198 HydrophobicContact CE1-CG 3.71Å; Y194-K198 HydrophobicContact CE2-CG 4.33Å; Y194-K198 VanDerWaalsContact CZ-CE 3.48Å; Y194-K198 WeakPolarHBondContact O-CB 3.41Å; Y194-K198 WeakPolarHBondContact O-CG 3.38Å; Y194-K198 PolarHBondContact O-N 3.21Å; Y194-K198 WeakPolarHBondContact OH-CE 3.38Å; I195-K198 PolarHBondContact O-N 3.23Å; I195-K198 VanDerWaalsContact O-N 3.17Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.41Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.02Å; K198-E201 WeakPolarHBondContact CD-OE2 3.46Å; K198-E201 VanDerWaalsContact CE-OE2 3.31Å; K198-E201 WeakPolarHBondContact CE-OE2 3.42Å; K198-E201 IonicContact NZ-OE2 2.72Å; K198-E201 PolarHBondContact NZ-OE2 3.04Å; K198-E201 WeakPolarHBondContact O-CB 3.26Å; K198-E201 PolarHBondContact O-N 3.18Å; K198-E201 VanDerWaalsContact O-N 3.16Å; K198-W202 PolarHBondContact O-N 2.68Å
199R97.9Very high96.8Very high11 Ų1149 Ų494%0.04227%0.265CS..Hα-helixtrans-54.3-47.9172.2-77.9-178.8170.6-87.60.6112.2L20 L21 Y25 Y160 D161 M164 I195 T196 Q197 W202 C203L20-R199 PolarHBondContact O-NH1 2.87Å; L21-R199 WeakPolarHBondContact O-CB 3.37Å; Y25-R199 PolarHBondContact O-NH1 3.01Å; Y25-R199 PolarHBondContact O-NH2 3.25Å; Y160-R199 PolarHBondContact O-NH2 2.76Å; Y160-R199 VanDerWaalsContact O-NH2 3.15Å; D161-R199 IonicContact OD1-CZ 3.07Å; D161-R199 IonicContact OD1-NE 2.67Å; D161-R199 PolarHBondContact OD1-NE 3.43Å; D161-R199 IonicContact OD1-NH2 3.47Å; D161-R199 PolarHBondContact OD1-NH2 3.15Å; M164-R199 HydrophobicContact CE-CG 3.93Å; M164-R199 HydrophobicContact CG-CG 3.57Å; M164-R199 HydrophobicContact SD-CG 3.64Å; I195-R199 PolarHBondContact O-N 2.98Å; T196-R199 WeakPolarHBondContact O-CB 3.37Å; T196-R199 PolarHBondContact O-N 2.96Å; Q197-R199 VanDerWaalsContact C-N 3.32Å; Q197-R199 PolarHBondContact O-N 3.13Å; R199-W202 PolarHBondContact O-N 3.02Å; R199-C203 WeakPolarHBondContact O-CB 3.34Å; R199-C203 PolarHBondContact O-N 2.99Å
200A97.8Very high97Very high53 Ų5346.4 Ų46.444%0.43826%0.259SS..Hα-helixtrans-69.1-32.1178.600000112.9Q197 K198 R204Q197-A200 PolarHBondContact O-N 2.72Å; Q197-A200 VanDerWaalsContact O-N 3.14Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.02Å; A200-R204 WeakPolarHBondContact O-CG 3.37Å; A200-R204 PolarHBondContact O-N 2.76Å; A200-R204 PolarHBondContact O-NE 3.14Å; A200-R204 VanDerWaalsContact O-NE 3.11Å
201E98.2Very high96.7Very high58 Ų5854 Ų5427%0.27129%0.294SS..Hα-helixtrans-65.6-47.7172.5-73175.2-168.200112Q197 K198 C203 R204 L205Q197-E201 WeakPolarHBondContact CG-OE1 3.39Å; Q197-E201 PolarHBondContact NE2-OE1 3.03Å; Q197-E201 PolarHBondContact O-N 2.96Å; K198-E201 WeakPolarHBondContact CD-OE2 3.46Å; K198-E201 VanDerWaalsContact CE-OE2 3.31Å; K198-E201 WeakPolarHBondContact CE-OE2 3.42Å; K198-E201 IonicContact NZ-OE2 2.72Å; K198-E201 PolarHBondContact NZ-OE2 3.04Å; K198-E201 WeakPolarHBondContact O-CB 3.26Å; K198-E201 PolarHBondContact O-N 3.18Å; K198-E201 VanDerWaalsContact O-N 3.16Å; E201-C203 PolarHBondContact O-N 3.35Å; E201-R204 VanDerWaalsContact CG-NH2 3.26Å; E201-R204 PolarHBondContact O-N 3.11Å; E201-L205 WeakPolarHBondContact O-CB 3.47Å; E201-L205 PolarHBondContact O-N 3.01Å
202W98.4Very high95.2Very high10 Ų1060 Ų604%0.03832%0.324CS..Hα-helixtrans-64.2-40178.6-83.398.9000112.4L21 F34 A35 Y38 F39 I167 K198 R199 R204 L205 I206L21-W202 HydrophobicContact CD1-CB 4.25Å; L21-W202 HydrophobicContact CD2-CB 4.14Å; F34-W202 HydrophobicContact CD1-CE3 4.27Å; F34-W202 HydrophobicContact CD1-CZ3 4.04Å; F34-W202 AromaticContact CE1-CE3 3.76Å; F34-W202 HydrophobicContact CE1-CE3 3.76Å; F34-W202 AromaticContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CZ-CZ3 4.37Å; A35-W202 HydrophobicContact CB-CE3 4.47Å; A35-W202 HydrophobicContact CB-CH2 3.48Å; A35-W202 VanDerWaalsContact CB-CH2 3.48Å; A35-W202 HydrophobicContact CB-CZ2 3.97Å; A35-W202 HydrophobicContact CB-CZ3 3.78Å; Y38-W202 AromaticContact CD1-CH2 3.83Å; Y38-W202 HydrophobicContact CD1-CH2 3.83Å; Y38-W202 HydrophobicContact CD1-CZ3 4.12Å; Y38-W202 HydrophobicContact CG-CH2 4.45Å; Y38-W202 HydrophobicContact CG-CZ3 4.42Å; F39-W202 HydrophobicContact CD1-CH2 4.33Å; F39-W202 AromaticContact CE1-CH2 3.7Å; F39-W202 HydrophobicContact CE1-CH2 3.7Å; F39-W202 AromaticContact CE1-CZ2 3.52Å; F39-W202 HydrophobicContact CE1-CZ2 3.52Å; F39-W202 HydrophobicContact CZ-CH2 4Å; F39-W202 AromaticContact CZ-CZ2 3.58Å; F39-W202 HydrophobicContact CZ-CZ2 3.58Å; I167-W202 HydrophobicContact CG2-CD2 4.5Å; I167-W202 HydrophobicContact CG2-CH2 4.39Å; I167-W202 HydrophobicContact CG2-CZ2 3.47Å; I167-W202 VanDerWaalsContact CG2-CZ2 3.47Å; K198-W202 PolarHBondContact O-N 2.68Å; R199-W202 PolarHBondContact O-N 3.02Å; W202-R204 PolarHBondContact O-N 2.77Å; W202-L205 HydrophobicContact CE3-CD2 3.83Å; W202-L205 HydrophobicContact CH2-CD2 4.45Å; W202-L205 HydrophobicContact CZ3-CD2 3.79Å; W202-L205 PolarHBondContact O-N 3.48Å; W202-I206 WeakPolarHBondContact O-CG1 3.46Å; W202-I206 PolarHBondContact O-N 2.87Å
203C97.3Very high95.2Very high15 Ų1560.9 Ų60.910%0.10133%0.326CS..Hα-helixtrans-60.4-46.1174.3-1750000111.6L21 R199 E201 L205 I206 Q207L21-C203 HydrophobicContact CB-CB 4.24Å; L21-C203 HydrophobicContact CD1-CB 4.34Å; R199-C203 WeakPolarHBondContact O-CB 3.34Å; R199-C203 PolarHBondContact O-N 2.99Å; E201-C203 PolarHBondContact O-N 3.35Å; C203-L205 PolarHBondContact O-N 3.17Å; C203-I206 PolarHBondContact O-N 3.39Å; C203-Q207 WeakPolarHBondContact O-CG 3.5Å; C203-Q207 PolarHBondContact O-N 2.79Å; C203-Q207 VanDerWaalsContact O-N 3.09Å
204R97.8Very high95.1Very high146 Ų14660.3 Ų60.355%0.55131%0.312SS*.Hα-helixtrans-64.2-38.8175.7-75.8-179.3-71142.2-7.3112.7A200 E201 W202 Q207 S208A200-R204 WeakPolarHBondContact O-CG 3.37Å; A200-R204 PolarHBondContact O-N 2.76Å; A200-R204 PolarHBondContact O-NE 3.14Å; A200-R204 VanDerWaalsContact O-NE 3.11Å; E201-R204 VanDerWaalsContact CG-NH2 3.26Å; E201-R204 PolarHBondContact O-N 3.11Å; W202-R204 PolarHBondContact O-N 2.77Å; R204-Q207 PolarHBondContact O-N 3.44Å; R204-S208 WeakPolarHBondContact O-CB 3.34Å; R204-S208 PolarHBondContact O-N 3.3Å; R204-S208 PolarHBondContact O-OG 3.24Å
205L98.2Very high95Very high33 Ų3360.7 Ų60.717%0.17332%0.318CS..Hα-helixtrans-59.5-51176174.363.5000110.7Y38 E201 W202 C203 Q207 S208 L209Y38-L205 HydrophobicContact CD1-CD2 3.93Å; Y38-L205 HydrophobicContact CD2-CD2 4.29Å; Y38-L205 HydrophobicContact CE1-CD2 3.59Å; Y38-L205 HydrophobicContact CE2-CD1 3.96Å; Y38-L205 HydrophobicContact CE2-CD2 3.98Å; Y38-L205 HydrophobicContact CE2-CG 4.42Å; Y38-L205 HydrophobicContact CG-CD2 4.26Å; E201-L205 WeakPolarHBondContact O-CB 3.47Å; E201-L205 PolarHBondContact O-N 3.01Å; W202-L205 HydrophobicContact CE3-CD2 3.83Å; W202-L205 HydrophobicContact CH2-CD2 4.45Å; W202-L205 HydrophobicContact CZ3-CD2 3.79Å; W202-L205 PolarHBondContact O-N 3.48Å; C203-L205 PolarHBondContact O-N 3.17Å; L205-Q207 VanDerWaalsContact C-N 3.3Å; L205-Q207 PolarHBondContact O-N 2.98Å; L205-S208 PolarHBondContact O-N 3.4Å; L205-S208 PolarHBondContact O-OG 3.07Å; L205-L209 HydrophobicContact CD1-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CG 4.1Å; L205-L209 HydrophobicContact CG-CD1 4.06Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.48Å
206I97.9Very high94.8Very high0 Ų064.3 Ų64.30%034%0.337CS..Hα-helixtrans-57.4-45.1178.5-69.4160.8000110.8V5 L6 L13 V18 L21 F34 W202 C203 S208 L209 A210V5-I206 HydrophobicContact CG1-CG2 4.07Å; L6-I206 HydrophobicContact CB-CG2 4.22Å; L6-I206 HydrophobicContact CD2-CG1 4.5Å; L6-I206 HydrophobicContact CD2-CG2 4.14Å; L13-I206 HydrophobicContact CD1-CD1 3.65Å; L13-I206 HydrophobicContact CD1-CG1 3.9Å; L13-I206 HydrophobicContact CD1-CG2 4.11Å; V18-I206 HydrophobicContact CG1-CG2 4.4Å; V18-I206 HydrophobicContact CG2-CD1 4.49Å; V18-I206 HydrophobicContact CG2-CG2 3.83Å; L21-I206 HydrophobicContact CD1-CD1 3.49Å; L21-I206 VanDerWaalsContact CD1-CD1 3.49Å; F34-I206 HydrophobicContact CD1-CD1 4.18Å; F34-I206 HydrophobicContact CD1-CG1 4.07Å; F34-I206 HydrophobicContact CE1-CD1 3.96Å; F34-I206 HydrophobicContact CE1-CG1 3.42Å; F34-I206 VanDerWaalsContact CE1-CG1 3.42Å; F34-I206 HydrophobicContact CZ-CG1 3.91Å; W202-I206 WeakPolarHBondContact O-CG1 3.46Å; W202-I206 PolarHBondContact O-N 2.87Å; C203-I206 PolarHBondContact O-N 3.39Å; I206-S208 VanDerWaalsContact C-N 3.32Å; I206-S208 PolarHBondContact O-N 3Å; I206-L209 PolarHBondContact O-N 3.22Å; I206-A210 WeakPolarHBondContact O-CB 3.43Å; I206-A210 PolarHBondContact O-N 3.28Å
207Q96.1Very high94.7Very high95 Ų9563.1 Ų63.144%0.44433%0.326SS..Hα-helixtrans-61.9-38.9176.6-70.3172-300112.5C203 R204 L205 A210 Q211C203-Q207 WeakPolarHBondContact O-CG 3.5Å; C203-Q207 PolarHBondContact O-N 2.79Å; C203-Q207 VanDerWaalsContact O-N 3.09Å; R204-Q207 PolarHBondContact O-N 3.44Å; L205-Q207 VanDerWaalsContact C-N 3.3Å; L205-Q207 PolarHBondContact O-N 2.98Å; Q207-A210 PolarHBondContact O-N 3.07Å; Q207-Q211 WeakPolarHBondContact O-CG 3.48Å; Q207-Q211 PolarHBondContact O-N 3.37Å
208S97.2Very high94.5Very high51 Ų5160 Ų6036%0.35731%0.313SS..Hα-helixtrans-68.8-39.417872.30000112.5R204 L205 I206 A210 Q211 N212R204-S208 WeakPolarHBondContact O-CB 3.34Å; R204-S208 PolarHBondContact O-N 3.3Å; R204-S208 PolarHBondContact O-OG 3.24Å; L205-S208 PolarHBondContact O-N 3.4Å; L205-S208 PolarHBondContact O-OG 3.07Å; I206-S208 VanDerWaalsContact C-N 3.32Å; I206-S208 PolarHBondContact O-N 3Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-Q211 PolarHBondContact O-N 3.2Å; S208-N212 PolarHBondContact O-ND2 2.96Å
209L96.8Very high94.3Very high21 Ų2163.1 Ų63.111%0.1133%0.33CS..Hα-helixtrans-70.2-32.4176.9-68.6173.6000111.8L6 Y8 F34 Y38 L205 I206 Q211 N212L6-L209 HydrophobicContact CD1-CB 3.9Å; L6-L209 HydrophobicContact CD2-CB 4.3Å; L6-L209 HydrophobicContact CD2-CD1 4.42Å; Y8-L209 HydrophobicContact CD2-CD1 4.25Å; Y8-L209 HydrophobicContact CE2-CD1 4.21Å; Y8-L209 HydrophobicContact CE2-CD2 4.43Å; F34-L209 HydrophobicContact CE2-CD1 4.15Å; F34-L209 HydrophobicContact CZ-CD1 3.8Å; Y38-L209 HydrophobicContact CD2-CD1 4.06Å; Y38-L209 HydrophobicContact CE2-CD1 4.07Å; L205-L209 HydrophobicContact CD1-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CG 4.1Å; L205-L209 HydrophobicContact CG-CD1 4.06Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.48Å; I206-L209 PolarHBondContact O-N 3.22Å; L209-Q211 PolarHBondContact O-N 2.7Å; L209-N212 PolarHBondContact O-N 3.23Å
210A93.4Very high94Very high43 Ų4367.1 Ų67.136%0.35535%0.353SS..THydrogen-bonded Turntrans-71.7-14.5177.100000114.1V5 L6 I206 Q207 S208V5-A210 HydrophobicContact CG1-CB 4.48Å; V5-A210 WeakPolarHBondContact O-CB 3.44Å; L6-A210 HydrophobicContact CD1-CB 4.39Å; I206-A210 WeakPolarHBondContact O-CB 3.43Å; I206-A210 PolarHBondContact O-N 3.28Å; Q207-A210 PolarHBondContact O-N 3.07Å; S208-A210 VanDerWaalsContact C-N 3.34Å
211Q87.8Confident93.7Very high161 Ų16168.3 Ų68.375%0.75235%0.346SS*.THydrogen-bonded Turntrans-93.1-14177.2-70.9172.516.500113.2Q207 S208 L209Q207-Q211 WeakPolarHBondContact O-CG 3.48Å; Q207-Q211 PolarHBondContact O-N 3.37Å; S208-Q211 PolarHBondContact O-N 3.2Å; L209-Q211 PolarHBondContact O-N 2.7Å
212N65.6Low93.3Very high186 Ų18669.2 Ų69.2100%0.99535%0.352SS*.  trans-93.50178.5-67.8-30.6000111S208 L209S208-N212 PolarHBondContact O-ND2 2.96Å; L209-N212 PolarHBondContact O-N 3.23Å

Retrieved 212 of 212 residues in 65.4 ms (Link to these results)

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