A0A087X3W7_POEFO Loading...

Pseudouridine-5'-phosphatase

Dephosphorylates pseudouridine 5'-phosphate, a potential intermediate in rRNA degradation. Pseudouridine is then excreted intact in urine.

AlphaFold DB , UniProt , Accession A0A087X3W7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 231 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
1M37Very low65Low241 Ų241108.3 Ų108.3100%1.18763%0.634SS**  0114.70-71179178.400107T3M1-T3 PolarHBondContact O-N 3.17Å
2S34.3Very low67.8Low121 Ų121103.4 Ų103.485%0.84661%0.61SS**  trans-73106.5-171.21770000110.4S4S2-S4 PolarHBondContact O-N 2.71Å; S2-S4 VanDerWaalsContact O-N 3.15Å
3T39.7Very low70.2Confident122 Ų12296.9 Ų96.975%0.74857%0.57SS**  trans-66.7104.216446.70000107.5M1 V5M1-T3 PolarHBondContact O-N 3.17Å; T3-V5 PolarHBondContact O-N 3.15Å
4S42.7Very low72.2Confident109 Ų10990 Ų9076%0.76253%0.529SS*.  trans-62.9106.5169.859.20000107.7S2 S6S2-S4 PolarHBondContact O-N 2.71Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S4-S6 PolarHBondContact O-N 3.21Å
5V43.2Very low74Confident130 Ų13084 Ų8479%0.78849%0.494SS*.  trans-58.3106.1169.6-175.30000106.1T3 S7T3-V5 PolarHBondContact O-N 3.15Å; V5-S7 VanDerWaalsContact C-N 3.31Å; V5-S7 PolarHBondContact O-N 3.14Å
6S53.1Low75.6Confident74 Ų7478.8 Ų78.852%0.51746%0.463SS..  trans-66.195.2172.5163.20000107.3S4 Y8S4-S6 PolarHBondContact O-N 3.21Å; S6-Y8 PolarHBondContact O-N 2.99Å
7S78.8Confident76.9Confident92 Ų9274.6 Ų74.664%0.64344%0.438SS*.  trans-65113.8166.560.70000107.6V5 K9V5-S7 VanDerWaalsContact C-N 3.31Å; V5-S7 PolarHBondContact O-N 3.14Å; S7-K9 PolarHBondContact O-N 3.37Å
8Y93.9Very high78.1Confident78 Ų7870.4 Ų70.431%0.30641%0.414SS..PPolyproline II helixtrans-51.5134.8169.5-56.4-54.5000109.8S6 T211 L212 L224 F225S6-Y8 PolarHBondContact O-N 2.99Å; Y8-T211 HydrophobicContact CD1-CG2 3.81Å; Y8-T211 HydrophobicContact CE1-CG2 4.07Å; Y8-L212 HydrophobicContact CE1-CB 4.29Å; Y8-L224 WeakPolarHBondContact CB-O 3.42Å; Y8-L224 HydrophobicContact CD2-CB 3.73Å; Y8-L224 HydrophobicContact CD2-CD1 4.43Å; Y8-L224 HydrophobicContact CD2-CD2 4Å; Y8-L224 HydrophobicContact CD2-CG 4.27Å; Y8-L224 HydrophobicContact CE2-CB 4.15Å; Y8-L224 HydrophobicContact CE2-CD1 4Å; Y8-L224 HydrophobicContact CE2-CD2 3.93Å; Y8-L224 HydrophobicContact CE2-CG 4.25Å; Y8-L224 HydrophobicContact CG-CB 4.35Å; Y8-F225 AromaticContact CD1-CE1 3.82Å; Y8-F225 HydrophobicContact CD1-CE1 3.82Å; Y8-F225 HydrophobicContact CD1-CE2 4.45Å; Y8-F225 AromaticContact CD1-CZ 3.69Å; Y8-F225 HydrophobicContact CD1-CZ 3.69Å; Y8-F225 HydrophobicContact CE1-CZ 4.16Å; Y8-F225 HydrophobicContact CG-CE1 4.19Å; Y8-F225 HydrophobicContact CG-CZ 4.17Å
9K96.3Very high79.1Confident130 Ų13067.8 Ų67.857%0.56540%0.398SS*.PPolyproline II helixtrans-93.3142.9-179.7-62.3179.3-1771750110.2S7 V11 Q193S7-K9 PolarHBondContact O-N 3.37Å; K9-V11 PolarHBondContact O-N 2.98Å; K9-Q193 PolarHBondContact O-NE2 2.8Å
10P97.8Very high80Confident83 Ų8365 Ų6554%0.53938%0.384SS..PPolyproline II helixtrans-60.3129.3173.2-25.234.6000112.6F225P10-F225 VanDerWaalsContact CA-O 3.29Å; P10-F225 WeakPolarHBondContact CA-O 3.15Å
11V98.6Very high80.8Confident11 Ų1162.1 Ų62.17%0.06737%0.367CS..  trans-112.8162.8177.7-57.40000110.7K9 K173 L175 F225 L227K9-V11 PolarHBondContact O-N 2.98Å; V11-K173 WeakPolarHBondContact CB-O 3.37Å; V11-L175 HydrophobicContact CB-CB 4.27Å; V11-L175 HydrophobicContact CG1-CB 4.09Å; V11-L175 HydrophobicContact CG2-CB 3.92Å; V11-L175 HydrophobicContact CG2-CD2 4.41Å; V11-F225 HydrophobicContact CG1-CD1 4.44Å; V11-F225 HydrophobicContact CG2-CB 3.81Å; V11-F225 PolarHBondContact N-O 2.74Å; V11-L227 HydrophobicContact CG2-CD1 4.07Å; V11-L227 HydrophobicContact CG2-CD2 3.99Å; V11-L227 HydrophobicContact CG2-CG 3.95Å
12S98.4Very high83.8Confident50 Ų5050.7 Ų50.735%0.3531%0.31SS..SBendtrans-129-10.3175.458.80000114P111 K173S12-P111 WeakPolarHBondContact O-CD 3.19Å; S12-K173 PolarHBondContact N-O 3.49Å
13H98.8Very high86.8Confident19 Ų1944.9 Ų44.99%0.08827%0.27CS..EExtended strand (participates in β ladder)trans-131.5146.5-179.5-64.771.5000110F165 A169 K173 C174 L175H13-F165 HydrophobicContact CB-CD2 4.36Å; H13-F165 HydrophobicContact CB-CE2 3.93Å; H13-F165 HydrophobicContact CB-CZ 4.29Å; H13-F165 AromaticContact CD2-CD1 3.84Å; H13-F165 AromaticContact CD2-CD2 3.44Å; H13-F165 VanDerWaalsContact CD2-CD2 3.44Å; H13-F165 WeakPolarHBondContact CD2-CD2 3.28Å; H13-F165 AromaticContact CD2-CE2 3.77Å; H13-F165 AromaticContact CD2-CG 3.48Å; H13-F165 VanDerWaalsContact CD2-CG 3.48Å; H13-F165 WeakPolarHBondContact CD2-CG 3.31Å; H13-A169 HydrophobicContact CB-CB 4.19Å; H13-K173 PolarHBondContact N-O 2.9Å; H13-K173 VanDerWaalsContact N-O 3.1Å; H13-C174 WeakPolarHBondContact O-CA 3.18Å; H13-L175 PolarHBondContact O-N 2.86Å
14V98.9Very high89.6Confident0 Ų040.1 Ų40.10%024%0.24CC..EExtended strand (participates in β ladder)trans-124132.4177.2-1700000110.3F16 L105 I110 P111 I112 A113 L175 F177 L227V14-F16 HydrophobicContact CB-CE2 3.92Å; V14-F16 HydrophobicContact CB-CZ 4.38Å; V14-F16 HydrophobicContact CG1-CD2 3.95Å; V14-F16 HydrophobicContact CG1-CE1 4.2Å; V14-F16 HydrophobicContact CG1-CE2 3.33Å; V14-F16 HydrophobicContact CG1-CZ 3.47Å; V14-F16 VanDerWaalsContact CG1-CZ 3.47Å; V14-L105 HydrophobicContact CB-CD1 4.12Å; V14-L105 HydrophobicContact CG1-CD1 4.27Å; V14-L105 HydrophobicContact CG2-CD1 3.94Å; V14-L105 HydrophobicContact CG2-CD2 4.24Å; V14-I110 HydrophobicContact CG2-CG2 4.1Å; V14-P111 PolarHBondContact N-O 2.99Å; V14-P111 VanDerWaalsContact N-O 3.08Å; V14-I112 HydrophobicContact CB-CG2 4.05Å; V14-I112 CarbonylContact O-C 3.18Å; V14-I112 WeakPolarHBondContact O-CA 3.4Å; V14-A113 PolarHBondContact O-N 2.97Å; V14-L175 CarbonylContact C-O 3.55Å; V14-L175 WeakPolarHBondContact CA-O 3.29Å; V14-L175 WeakPolarHBondContact CG1-O 3.39Å; V14-F177 HydrophobicContact CG1-CD2 3.53Å; V14-F177 HydrophobicContact CG1-CE2 3.51Å; V14-L227 HydrophobicContact CG2-CD1 4.14Å
15I98.9Very high92.2Very high0 Ų035 Ų350%020%0.204CC..EExtended strand (participates in β ladder)trans-121127.7177.3-53.1167.5000107.8A113 A115 F158 C161 A162 F165 C174 L175 V176 F177 M192I15-A113 CarbonylContact C-O 3.53Å; I15-A113 WeakPolarHBondContact CA-O 3.39Å; I15-A115 HydrophobicContact CG2-CB 3.8Å; I15-F158 HydrophobicContact CG2-CD1 3.83Å; I15-F158 HydrophobicContact CG2-CE1 4.26Å; I15-C161 HydrophobicContact CD1-CB 3.78Å; I15-C161 HydrophobicContact CG1-CB 4.16Å; I15-C161 HydrophobicContact CG2-CB 3.92Å; I15-A162 HydrophobicContact CD1-CB 4.44Å; I15-F165 HydrophobicContact CD1-CE2 4.31Å; I15-F165 HydrophobicContact CG1-CE2 3.98Å; I15-F165 HydrophobicContact CG1-CZ 4.24Å; I15-C174 HydrophobicContact CD1-CB 4.15Å; I15-L175 PolarHBondContact N-O 3.3Å; I15-V176 HydrophobicContact CB-CG2 4.43Å; I15-V176 CarbonylContact O-C 3.53Å; I15-V176 WeakPolarHBondContact O-CA 3.23Å; I15-F177 PolarHBondContact O-N 2.81Å; I15-M192 HydrophobicContact CD1-CE 4.08Å; I15-M192 HydrophobicContact CD1-SD 3.94Å
16F98.9Very high94.6Very high0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-107.4136.2-179.4-64.7-94.9000109.6V14 L21 L22 L101 L105 I112 A113 V114 A115 F137 F177 M217V14-F16 HydrophobicContact CB-CE2 3.92Å; V14-F16 HydrophobicContact CB-CZ 4.38Å; V14-F16 HydrophobicContact CG1-CD2 3.95Å; V14-F16 HydrophobicContact CG1-CE1 4.2Å; V14-F16 HydrophobicContact CG1-CE2 3.33Å; V14-F16 HydrophobicContact CG1-CZ 3.47Å; V14-F16 VanDerWaalsContact CG1-CZ 3.47Å; F16-L21 HydrophobicContact CB-CD2 4.3Å; F16-L21 HydrophobicContact CD1-CD2 4.33Å; F16-L22 HydrophobicContact CB-CD1 3.91Å; F16-L22 HydrophobicContact CB-CD2 4.16Å; F16-L22 HydrophobicContact CB-CG 4.14Å; F16-L22 HydrophobicContact CD1-CD2 3.89Å; F16-L22 HydrophobicContact CG-CD2 4.16Å; F16-L101 HydrophobicContact CE1-CD2 3.83Å; F16-L101 HydrophobicContact CZ-CD2 3.94Å; F16-L101 HydrophobicContact CZ-CG 4.23Å; F16-L105 HydrophobicContact CE2-CD1 3.97Å; F16-L105 HydrophobicContact CZ-CD1 3.71Å; F16-I112 HydrophobicContact CE2-CB 4.21Å; F16-I112 HydrophobicContact CE2-CG2 4.17Å; F16-A113 PolarHBondContact N-O 3.44Å; F16-V114 CarbonylContact O-C 3.49Å; F16-V114 VanDerWaalsContact O-CA 3.31Å; F16-V114 WeakPolarHBondContact O-CA 3.46Å; F16-A115 PolarHBondContact O-N 3.36Å; F16-F137 HydrophobicContact CB-CE1 4.45Å; F16-F137 AromaticContact CD2-CE1 3.65Å; F16-F137 HydrophobicContact CD2-CE1 3.65Å; F16-F137 HydrophobicContact CD2-CZ 4.48Å; F16-F137 HydrophobicContact CE2-CE1 4.21Å; F16-F137 HydrophobicContact CG-CE1 4.26Å; F16-F177 HydrophobicContact CD1-CB 3.69Å; F16-F177 HydrophobicContact CD1-CD2 4.04Å; F16-F177 AromaticContact CD1-CG 3.92Å; F16-F177 HydrophobicContact CD1-CG 3.92Å; F16-F177 HydrophobicContact CE1-CB 4.1Å; F16-F177 HydrophobicContact CE1-CD1 4.34Å; F16-F177 AromaticContact CE1-CD2 3.67Å; F16-F177 HydrophobicContact CE1-CD2 3.67Å; F16-F177 HydrophobicContact CE1-CE2 4.15Å; F16-F177 AromaticContact CE1-CG 3.78Å; F16-F177 HydrophobicContact CE1-CG 3.78Å; F16-F177 HydrophobicContact CG-CB 4.47Å; F16-F177 HydrophobicContact CZ-CD2 4.15Å; F16-F177 HydrophobicContact CZ-CE2 4.35Å; F16-M217 HydrophobicContact CD1-CE 4.2Å; F16-M217 HydrophobicContact CE1-CE 4.11Å; F16-M217 HydrophobicContact CE1-SD 4.27Å
17D98.6Very high96.7Very high8 Ų832.9 Ų32.94%0.04317%0.173CC..  trans-63174150.7-170.165.4000110.1D19 L21 L22 K152 F177 E178D17-D19 PolarHBondContact OD2-N 2.97Å; D17-L21 HydrophobicContact CB-CD2 4Å; D17-L21 WeakPolarHBondContact O-CD2 3.28Å; D17-L22 VanDerWaalsContact O-CD1 3.27Å; D17-L22 WeakPolarHBondContact O-CD1 3.43Å; D17-L22 VanDerWaalsContact O-CG 3.23Å; D17-L22 WeakPolarHBondContact O-CG 3.36Å; D17-K152 IonicContact OD1-NZ 3.73Å; D17-K152 PolarHBondContact OD1-NZ 3.04Å; D17-F177 PolarHBondContact N-O 2.99Å; D17-E178 HydrophobicContact CB-CG 4.05Å; D17-E178 WeakPolarHBondContact CB-OE1 3.27Å
18M98.3Very high97.6Very high0 Ų028.7 Ų28.70%014%0.143CC..  trans-117-47.7178.7-173.7-174.170.800112.7L22 L23 V114 T116 F123 K126 T127 F134M18-L22 HydrophobicContact CG-CB 4.46Å; M18-L22 PolarHBondContact O-N 3.29Å; M18-L23 HydrophobicContact CG-CD1 4.09Å; M18-L23 HydrophobicContact CG-CG 4.43Å; M18-L23 PolarHBondContact O-N 2.99Å; M18-L23 HydrophobicContact SD-CD1 4.19Å; M18-V114 HydrophobicContact CB-CG1 3.98Å; M18-T116 HydrophobicContact CE-CG2 4.49Å; M18-F123 HydrophobicContact CE-CD2 4.04Å; M18-F123 HydrophobicContact SD-CD2 3.49Å; M18-F123 WeakPolarHBondContact SD-CD2 3.41Å; M18-F123 HydrophobicContact SD-CE2 3.6Å; M18-K126 HydrophobicContact CE-CB 4.36Å; M18-K126 HydrophobicContact CE-CD 3.71Å; M18-T127 HydrophobicContact SD-CG2 3.81Å; M18-F134 HydrophobicContact CG-CE1 4.09Å; M18-F134 HydrophobicContact CG-CZ 3.94Å; M18-F134 HydrophobicContact SD-CE1 3.95Å; M18-F134 HydrophobicContact SD-CZ 4Å
19D97Very high97.7Very high20 Ų2027.7 Ų27.711%0.10714%0.139CC..BIsolated β-bridgetrans-86.9118.4-164.9-80.8-65.1000109.6D17 L21 T25 T116 S118 K126D17-D19 PolarHBondContact OD2-N 2.97Å; D19-L21 PolarHBondContact O-N 3.27Å; D19-T25 VanDerWaalsContact CA-OG1 3.23Å; D19-T25 WeakPolarHBondContact CA-OG1 3.4Å; D19-T25 WeakPolarHBondContact CB-OG1 3.31Å; D19-T25 WeakPolarHBondContact OD1-CB 3.41Å; D19-T25 WeakPolarHBondContact OD1-CG2 3.44Å; D19-T25 PolarHBondContact OD1-OG1 3.46Å; D19-T116 PolarHBondContact OD2-OG1 2.77Å; D19-S118 PolarHBondContact OD2-OG 3.27Å; D19-K126 WeakPolarHBondContact OD1-CD 3.41Å; D19-K126 VanDerWaalsContact OD1-CE 3.24Å; D19-K126 WeakPolarHBondContact OD1-CE 3.28Å; D19-K126 IonicContact OD1-NZ 3.94Å; D19-K126 PolarHBondContact OD1-NZ 3.24Å; D19-K126 IonicContact OD2-NZ 3.66Å; D19-K126 PolarHBondContact OD2-NZ 3.08Å; D19-K126 VanDerWaalsContact OD2-NZ 3.12Å
20G96.1Very high97.7Very high12 Ų1223.6 Ų23.612%0.12413%0.125CC..THydrogen-bonded Turntrans81.3-6.6-173.300000114.2L23 T25 L95G20-L23 WeakPolarHBondContact CA-O 3.22Å; G20-L23 PolarHBondContact N-O 3.41Å; G20-T25 PolarHBondContact N-OG1 3.16Å; G20-L95 VanDerWaalsContact C-CD1 3.5Å; G20-L95 WeakPolarHBondContact O-CD1 3.44Å
21L98.1Very high97.7Very high4 Ų422.4 Ų22.42%0.02112%0.116CC..THydrogen-bonded Turntrans-119-58.7179.4-178.281.2000114.2F16 D17 D19 L95 F177 D179 I197 M217F16-L21 HydrophobicContact CB-CD2 4.3Å; F16-L21 HydrophobicContact CD1-CD2 4.33Å; D17-L21 HydrophobicContact CB-CD2 4Å; D17-L21 WeakPolarHBondContact O-CD2 3.28Å; D19-L21 PolarHBondContact O-N 3.27Å; L21-L95 VanDerWaalsContact O-CD1 3.27Å; L21-L95 WeakPolarHBondContact O-CD1 3.23Å; L21-F177 HydrophobicContact CD1-CB 4.24Å; L21-F177 HydrophobicContact CD2-CB 3.59Å; L21-F177 WeakPolarHBondContact CD2-O 3.33Å; L21-F177 HydrophobicContact CG-CB 4.44Å; L21-D179 HydrophobicContact CB-CB 4.42Å; L21-I197 HydrophobicContact CD1-CB 4.1Å; L21-I197 HydrophobicContact CD1-CD1 4.02Å; L21-I197 HydrophobicContact CD1-CG1 4.18Å; L21-M217 HydrophobicContact CD1-CE 4.1Å; L21-M217 HydrophobicContact CG-CE 4.08Å
22L98.7Very high97.6Very high1 Ų121.9 Ų21.91%0.00511%0.113CC..THydrogen-bonded Turntrans-83-36.4174.8-67.1175.6000110.3F16 D17 M18 L94 L95 V98 V114 F134 F137 M217F16-L22 HydrophobicContact CB-CD1 3.91Å; F16-L22 HydrophobicContact CB-CD2 4.16Å; F16-L22 HydrophobicContact CB-CG 4.14Å; F16-L22 HydrophobicContact CD1-CD2 3.89Å; F16-L22 HydrophobicContact CG-CD2 4.16Å; D17-L22 VanDerWaalsContact O-CD1 3.27Å; D17-L22 WeakPolarHBondContact O-CD1 3.43Å; D17-L22 VanDerWaalsContact O-CG 3.23Å; D17-L22 WeakPolarHBondContact O-CG 3.36Å; M18-L22 HydrophobicContact CG-CB 4.46Å; M18-L22 PolarHBondContact O-N 3.29Å; L22-L94 VanDerWaalsContact O-CA 3.32Å; L22-L94 WeakPolarHBondContact O-CA 3.38Å; L22-L95 PolarHBondContact O-N 2.94Å; L22-V98 HydrophobicContact CB-CG1 4.45Å; L22-V98 HydrophobicContact CD2-CB 4.49Å; L22-V98 HydrophobicContact CD2-CG1 3.56Å; L22-V98 HydrophobicContact CD2-CG2 4.16Å; L22-V114 HydrophobicContact CD1-CG2 3.97Å; L22-F134 HydrophobicContact CD1-CE1 4.21Å; L22-F134 HydrophobicContact CD1-CZ 4.32Å; L22-F137 HydrophobicContact CD1-CE1 4.44Å; L22-F137 HydrophobicContact CD1-CZ 3.85Å; L22-F137 HydrophobicContact CD2-CZ 4.37Å; L22-M217 HydrophobicContact CD2-CE 4.48Å
23L98.6Very high97.6Very high0 Ų020.5 Ų20.50%010%0.1CC..BIsolated β-bridgetrans-122.6145.9-177.6-62.8175000111.2M18 G20 T25 A92 K93 L94 K126 T127 F134M18-L23 HydrophobicContact CG-CD1 4.09Å; M18-L23 HydrophobicContact CG-CG 4.43Å; M18-L23 PolarHBondContact O-N 2.99Å; M18-L23 HydrophobicContact SD-CD1 4.19Å; G20-L23 WeakPolarHBondContact CA-O 3.22Å; G20-L23 PolarHBondContact N-O 3.41Å; L23-T25 HydrophobicContact CB-CG2 3.84Å; L23-T25 HydrophobicContact CD1-CG2 4.49Å; L23-T25 PolarHBondContact O-N 3.35Å; L23-A92 HydrophobicContact CB-CB 4.44Å; L23-A92 HydrophobicContact CD1-CB 4.45Å; L23-A92 HydrophobicContact CD2-CB 4.49Å; L23-K93 CarbonylContact C-O 3.59Å; L23-K93 VanDerWaalsContact CA-O 3.3Å; L23-K93 WeakPolarHBondContact CA-O 3.39Å; L23-L94 HydrophobicContact CD2-CD2 3.89Å; L23-L94 HydrophobicContact CD2-CG 4.46Å; L23-K126 HydrophobicContact CD1-CB 3.96Å; L23-K126 WeakPolarHBondContact CD1-O 3.2Å; L23-T127 HydrophobicContact CD1-CG2 4.27Å; L23-F134 HydrophobicContact CD1-CE2 4.21Å; L23-F134 HydrophobicContact CD1-CZ 4.05Å; L23-F134 HydrophobicContact CD2-CE2 4.35Å; L23-F134 HydrophobicContact CG-CE2 4.41Å; L23-F134 HydrophobicContact CG-CZ 4.25Å
24D97.6Very high97.6Very high22 Ų2221.6 Ų21.612%0.11811%0.106CC..  trans-73.934178.177.9-27.7000114E26 R27 A92 K93 L95D24-E26 VanDerWaalsContact C-N 3.28Å; D24-E26 PolarHBondContact O-N 3.05Å; D24-R27 VanDerWaalsContact O-CB 3.3Å; D24-R27 WeakPolarHBondContact O-CB 3.25Å; D24-R27 PolarHBondContact O-N 3.02Å; D24-R27 VanDerWaalsContact O-N 3.1Å; D24-R27 IonicContact OD1-NH2 3.1Å; D24-R27 IonicContact OD2-CZ 3.22Å; D24-R27 VanDerWaalsContact OD2-CZ 3.22Å; D24-R27 IonicContact OD2-NE 2.79Å; D24-R27 PolarHBondContact OD2-NE 3.38Å; D24-R27 IonicContact OD2-NH2 2.65Å; D24-R27 PolarHBondContact OD2-NH2 2.97Å; D24-A92 WeakPolarHBondContact OD1-CA 3.36Å; D24-K93 PolarHBondContact N-O 3.47Å; D24-K93 PolarHBondContact OD1-N 3.12Å; D24-L95 HydrophobicContact CB-CD2 3.88Å; D24-L95 HydrophobicContact CB-CG 4.3Å
25T96.9Very high97.5Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-66.6-26.4-170.849.10000113.7D19 G20 L23 R27 L28 Y29 A92 K126D19-T25 VanDerWaalsContact CA-OG1 3.23Å; D19-T25 WeakPolarHBondContact CA-OG1 3.4Å; D19-T25 WeakPolarHBondContact CB-OG1 3.31Å; D19-T25 WeakPolarHBondContact OD1-CB 3.41Å; D19-T25 WeakPolarHBondContact OD1-CG2 3.44Å; D19-T25 PolarHBondContact OD1-OG1 3.46Å; G20-T25 PolarHBondContact N-OG1 3.16Å; L23-T25 HydrophobicContact CB-CG2 3.84Å; L23-T25 HydrophobicContact CD1-CG2 4.49Å; L23-T25 PolarHBondContact O-N 3.35Å; T25-R27 PolarHBondContact O-N 2.79Å; T25-L28 CarbonylContact O-C 3.58Å; T25-L28 WeakPolarHBondContact O-CA 3.37Å; T25-L28 WeakPolarHBondContact O-CB 3.3Å; T25-L28 PolarHBondContact O-N 3.46Å; T25-Y29 VanDerWaalsContact O-CD2 3.23Å; T25-Y29 WeakPolarHBondContact O-CD2 3.44Å; T25-Y29 PolarHBondContact O-N 3.24Å; T25-A92 HydrophobicContact CG2-CB 4.14Å; T25-K126 HydrophobicContact CG2-CB 4.44Å; T25-K126 HydrophobicContact CG2-CD 3.89Å; T25-K126 HydrophobicContact CG2-CG 3.96Å
26E94.9Very high97.5Very high48 Ų4825.3 Ų25.322%0.22412%0.123CC..Hα-helixtrans-58.3-33.7172.7-78.7-59115.400113.1D24 T30 K49D24-E26 VanDerWaalsContact C-N 3.28Å; D24-E26 PolarHBondContact O-N 3.05Å; E26-T30 PolarHBondContact O-N 3.48Å; E26-T30 PolarHBondContact O-OG1 3.47Å; E26-K49 WeakPolarHBondContact OE2-CE 3.22Å; E26-K49 IonicContact OE2-NZ 3.84Å; E26-K49 PolarHBondContact OE2-NZ 3.24Å; E26-K49 VanDerWaalsContact OE2-NZ 3.1Å
27R95.8Very high97.4Very high113 Ų11325.3 Ų25.343%0.42612%0.123SC..Hα-helixtrans-66.2-41.3171.4-175.6-175.161.273.73.7110.8D24 T25 T30 V31D24-R27 VanDerWaalsContact O-CB 3.3Å; D24-R27 WeakPolarHBondContact O-CB 3.25Å; D24-R27 PolarHBondContact O-N 3.02Å; D24-R27 VanDerWaalsContact O-N 3.1Å; D24-R27 IonicContact OD1-NH2 3.1Å; D24-R27 IonicContact OD2-CZ 3.22Å; D24-R27 VanDerWaalsContact OD2-CZ 3.22Å; D24-R27 IonicContact OD2-NE 2.79Å; D24-R27 PolarHBondContact OD2-NE 3.38Å; D24-R27 IonicContact OD2-NH2 2.65Å; D24-R27 PolarHBondContact OD2-NH2 2.97Å; T25-R27 PolarHBondContact O-N 2.79Å; R27-T30 WeakPolarHBondContact O-CB 3.39Å; R27-T30 PolarHBondContact O-N 3.44Å; R27-V31 WeakPolarHBondContact O-CG2 3.45Å; R27-V31 PolarHBondContact O-N 3.08Å
28L97.5Very high97.4Very high3 Ų329.9 Ų29.92%0.01615%0.147CC..Hα-helixtrans-69.8-37.6-179.6-61.7-178.4000112.4T25 T30 V31 S32 I88 F89 A92T25-L28 CarbonylContact O-C 3.58Å; T25-L28 WeakPolarHBondContact O-CA 3.37Å; T25-L28 WeakPolarHBondContact O-CB 3.3Å; T25-L28 PolarHBondContact O-N 3.46Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 3.41Å; L28-V31 PolarHBondContact O-N 2.84Å; L28-S32 WeakPolarHBondContact O-CB 3.16Å; L28-S32 PolarHBondContact O-N 2.96Å; L28-I88 HydrophobicContact CB-CD1 4.04Å; L28-I88 HydrophobicContact CB-CG1 4.33Å; L28-I88 HydrophobicContact CD2-CB 4.47Å; L28-I88 HydrophobicContact CD2-CD1 4.34Å; L28-I88 HydrophobicContact CD2-CG1 4.42Å; L28-I88 VanDerWaalsContact O-CD1 3.27Å; L28-I88 WeakPolarHBondContact O-CD1 3.23Å; L28-F89 HydrophobicContact CB-CD1 4.14Å; L28-F89 HydrophobicContact CB-CE1 4.16Å; L28-F89 HydrophobicContact CD1-CD1 3.91Å; L28-A92 HydrophobicContact CD1-CB 3.81Å
29Y96.1Very high97.4Very high58 Ų5837.2 Ų37.223%0.22718%0.175CC..Hα-helixtrans-58.9-45.2170.1-78-67.3000111.4T25 V31 S32 F33 F89 K126T25-Y29 VanDerWaalsContact O-CD2 3.23Å; T25-Y29 WeakPolarHBondContact O-CD2 3.44Å; T25-Y29 PolarHBondContact O-N 3.24Å; Y29-V31 PolarHBondContact O-N 2.79Å; Y29-S32 PolarHBondContact O-N 3.3Å; Y29-F33 VanDerWaalsContact O-CD2 3.31Å; Y29-F33 WeakPolarHBondContact O-CD2 3.44Å; Y29-F33 PolarHBondContact O-N 2.85Å; Y29-F89 HydrophobicContact CD1-CZ 4.3Å; Y29-F89 HydrophobicContact CE1-CE1 4.36Å; Y29-F89 AromaticContact CE1-CZ 3.67Å; Y29-F89 HydrophobicContact CE1-CZ 3.67Å; Y29-F89 HydrophobicContact CE2-CE1 4.29Å; Y29-F89 HydrophobicContact CE2-CZ 4.16Å; Y29-F89 AromaticContact CZ-CZ 3.58Å; Y29-K126 PolarHBondContact OH-NZ 3.32Å
30T96.5Very high97.4Very high43 Ų4339.2 Ų39.226%0.26418%0.183SC..Hα-helixtrans-59.6-46.9176.6-54.50000111.3E26 R27 L28 S32 F33 Q34 Y44E26-T30 PolarHBondContact O-N 3.48Å; E26-T30 PolarHBondContact O-OG1 3.47Å; R27-T30 WeakPolarHBondContact O-CB 3.39Å; R27-T30 PolarHBondContact O-N 3.44Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 3.41Å; T30-S32 VanDerWaalsContact C-N 3.34Å; T30-S32 PolarHBondContact O-N 2.95Å; T30-F33 PolarHBondContact O-N 3.06Å; T30-Q34 VanDerWaalsContact O-CB 3.23Å; T30-Q34 WeakPolarHBondContact O-CB 3.43Å; T30-Q34 PolarHBondContact O-N 2.9Å; T30-Y44 HydrophobicContact CG2-CD1 4.08Å
31V97.6Very high97.5Very high59 Ų5942 Ų4236%0.35821%0.212SC..Hα-helixtrans-58.6-45.1175.91690000111.3R27 L28 Y29 Q34 E35 I88R27-V31 WeakPolarHBondContact O-CG2 3.45Å; R27-V31 PolarHBondContact O-N 3.08Å; L28-V31 PolarHBondContact O-N 2.84Å; Y29-V31 PolarHBondContact O-N 2.79Å; V31-Q34 PolarHBondContact O-N 2.81Å; V31-E35 WeakPolarHBondContact O-CB 3.49Å; V31-E35 PolarHBondContact O-N 3.23Å; V31-I88 HydrophobicContact CB-CD1 4.32Å; V31-I88 HydrophobicContact CG1-CD1 4.12Å
32S97.8Very high97.4Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-63-46.4-178.6169.90000112.9L28 Y29 T30 S81 Q85L28-S32 WeakPolarHBondContact O-CB 3.16Å; L28-S32 PolarHBondContact O-N 2.96Å; Y29-S32 PolarHBondContact O-N 3.3Å; T30-S32 VanDerWaalsContact C-N 3.34Å; T30-S32 PolarHBondContact O-N 2.95Å; S32-S81 PolarHBondContact OG-O 3.14Å; S32-S81 VanDerWaalsContact OG-O 3.1Å; S32-Q85 PolarHBondContact OG-NE2 2.84Å
33F97.8Very high97.4Very high20 Ų2051.8 Ų51.89%0.08826%0.256CS..Hα-helixtrans-71.5-37.4178.3-76-66.9000111.9Y29 T30 E35 I36 C37 Y44 I64 L77Y29-F33 VanDerWaalsContact O-CD2 3.31Å; Y29-F33 WeakPolarHBondContact O-CD2 3.44Å; Y29-F33 PolarHBondContact O-N 2.85Å; T30-F33 PolarHBondContact O-N 3.06Å; F33-E35 PolarHBondContact O-N 3.34Å; F33-I36 PolarHBondContact O-N 3.48Å; F33-C37 PolarHBondContact O-N 3.44Å; F33-C37 PolarHBondContact O-SG 2.92Å; F33-Y44 HydrophobicContact CB-CD1 3.91Å; F33-Y44 HydrophobicContact CB-CD2 3.88Å; F33-Y44 HydrophobicContact CB-CE1 4.06Å; F33-Y44 HydrophobicContact CB-CE2 4.04Å; F33-Y44 HydrophobicContact CB-CG 3.81Å; F33-Y44 HydrophobicContact CD2-CE1 4.27Å; F33-Y44 HydrophobicContact CD2-CE2 4.43Å; F33-Y44 AromaticContact CD2-CZ 3.99Å; F33-Y44 HydrophobicContact CG-CE2 4.24Å; F33-I64 HydrophobicContact CD1-CD1 3.79Å; F33-I64 HydrophobicContact CD1-CG2 4.49Å; F33-I64 HydrophobicContact CD2-CD1 4.17Å; F33-I64 HydrophobicContact CE1-CD1 3.55Å; F33-I64 HydrophobicContact CE2-CD1 3.95Å; F33-I64 HydrophobicContact CG-CD1 4.11Å; F33-I64 HydrophobicContact CZ-CD1 3.64Å; F33-L77 HydrophobicContact CD1-CD1 4.17Å; F33-L77 HydrophobicContact CD1-CG 4.5Å; F33-L77 HydrophobicContact CE1-CD1 4.3Å; F33-L77 HydrophobicContact CE1-CD2 4.39Å; F33-L77 HydrophobicContact CE1-CG 4.17Å
34Q98.2Very high97.3Very high43 Ų4352.7 Ų52.720%0.20126%0.26CS..Hα-helixtrans-63-41.3177.2-172.65957.500111.9T30 V31 I36 C37 D38 K42T30-Q34 VanDerWaalsContact O-CB 3.23Å; T30-Q34 WeakPolarHBondContact O-CB 3.43Å; T30-Q34 PolarHBondContact O-N 2.9Å; V31-Q34 PolarHBondContact O-N 2.81Å; Q34-I36 PolarHBondContact O-N 3.43Å; Q34-C37 PolarHBondContact O-N 2.92Å; Q34-D38 PolarHBondContact NE2-OD1 3.47Å; Q34-D38 VanDerWaalsContact O-CG 3.27Å; Q34-D38 PolarHBondContact O-N 2.83Å; Q34-K42 PolarHBondContact NE2-O 3.26Å; Q34-K42 VanDerWaalsContact NE2-O 3.17Å
35E98.3Very high97.2Very high77 Ų7754.2 Ų54.236%0.3627%0.27SS..Hα-helixtrans-57.2-36.4176.7-177.7175.2139.400112.1V31 F33 I84 R87V31-E35 WeakPolarHBondContact O-CB 3.49Å; V31-E35 PolarHBondContact O-N 3.23Å; F33-E35 PolarHBondContact O-N 3.34Å; E35-I84 HydrophobicContact CB-CD1 4.2Å; E35-I84 HydrophobicContact CG-CD1 4.08Å; E35-R87 VanDerWaalsContact CD-NH2 3.3Å; E35-R87 IonicContact OE1-NH2 2.96Å; E35-R87 PolarHBondContact OE1-NH2 3.24Å; E35-R87 IonicContact OE2-NH2 2.81Å; E35-R87 PolarHBondContact OE2-NH2 2.93Å
36I98.1Very high97.1Very high0 Ų057.1 Ų57.10%028%0.281CS..Hα-helixtrans-73.7-44.6174.5-59.2172000110.5F33 Q34 D38 R39 F40 M72 L77 E80 I84F33-I36 PolarHBondContact O-N 3.48Å; Q34-I36 PolarHBondContact O-N 3.43Å; I36-D38 VanDerWaalsContact C-N 3.3Å; I36-D38 PolarHBondContact O-N 2.92Å; I36-R39 WeakPolarHBondContact O-CB 3.34Å; I36-R39 PolarHBondContact O-N 3.17Å; I36-F40 HydrophobicContact CG2-CE2 4.06Å; I36-F40 VanDerWaalsContact O-CD2 3.27Å; I36-F40 WeakPolarHBondContact O-CD2 2.95Å; I36-M72 HydrophobicContact CG2-SD 3.94Å; I36-L77 HydrophobicContact CB-CD1 4.34Å; I36-L77 HydrophobicContact CD1-CD1 3.77Å; I36-L77 HydrophobicContact CG2-CD1 3.8Å; I36-E80 HydrophobicContact CD1-CB 3.82Å; I36-I84 HydrophobicContact CD1-CD1 4Å; I36-I84 HydrophobicContact CG1-CD1 3.59Å
37C97.9Very high97Very high0 Ų060.6 Ų60.60%030%0.301CS..Hα-helixtrans-61.6-35.6-179.2-670000112.9F33 Q34 R39 F40 G41 K42 L68F33-C37 PolarHBondContact O-N 3.44Å; F33-C37 PolarHBondContact O-SG 2.92Å; Q34-C37 PolarHBondContact O-N 2.92Å; C37-R39 PolarHBondContact O-N 3.04Å; C37-F40 CarbonylContact O-C 3.53Å; C37-F40 PolarHBondContact O-N 3.25Å; C37-G41 PolarHBondContact O-N 2.66Å; C37-K42 CarbonylContact C-O 3.53Å; C37-K42 HydrophobicContact CB-CB 4.06Å; C37-K42 WeakPolarHBondContact CB-O 3.29Å; C37-K42 PolarHBondContact O-N 3.1Å; C37-L68 VanDerWaalsContact SG-CD1 3.52Å
38D98.1Very high96.9Very high104 Ų10455.8 Ų55.856%0.55628%0.284SS*.Hα-helixtrans-58.7-35179.4-74.7-21.7000112.4Q34 I36 F40 G41Q34-D38 PolarHBondContact NE2-OD1 3.47Å; Q34-D38 VanDerWaalsContact O-CG 3.27Å; Q34-D38 PolarHBondContact O-N 2.83Å; I36-D38 VanDerWaalsContact C-N 3.3Å; I36-D38 PolarHBondContact O-N 2.92Å; D38-F40 PolarHBondContact O-N 3.12Å; D38-F40 VanDerWaalsContact O-N 3.14Å; D38-G41 PolarHBondContact O-N 2.95Å; D38-G41 VanDerWaalsContact O-N 3.15Å
39R97.4Very high96.8Very high155 Ų15556.4 Ų56.459%0.58529%0.287SS*.THydrogen-bonded Turntrans-62.3-21.5176.7-68.8164.254-166.4-7.4113.3I36 C37 E80I36-R39 WeakPolarHBondContact O-CB 3.34Å; I36-R39 PolarHBondContact O-N 3.17Å; C37-R39 PolarHBondContact O-N 3.04Å; R39-E80 IonicContact CZ-OE2 2.65Å; R39-E80 IonicContact NH1-OE1 3.13Å; R39-E80 IonicContact NH1-OE2 2.8Å; R39-E80 PolarHBondContact NH1-OE2 2.76Å; R39-E80 IonicContact NH2-OE1 3.33Å; R39-E80 IonicContact NH2-OE2 2.89Å
40F97.3Very high96.5Very high62 Ų6255.7 Ų55.727%0.27229%0.291SS..THydrogen-bonded Turntrans-113.78.2-178.2-52.1-67.9000112.5I36 C37 D38 K42 L70 P71 M72I36-F40 HydrophobicContact CG2-CE2 4.06Å; I36-F40 VanDerWaalsContact O-CD2 3.27Å; I36-F40 WeakPolarHBondContact O-CD2 2.95Å; C37-F40 CarbonylContact O-C 3.53Å; C37-F40 PolarHBondContact O-N 3.25Å; D38-F40 PolarHBondContact O-N 3.12Å; D38-F40 VanDerWaalsContact O-N 3.14Å; F40-K42 VanDerWaalsContact C-N 3.25Å; F40-K42 HydrophobicContact CB-CG 4.05Å; F40-K42 PolarHBondContact O-N 3.1Å; F40-L70 HydrophobicContact CB-CD2 4.4Å; F40-L70 HydrophobicContact CD2-CD2 3.99Å; F40-L70 HydrophobicContact CG-CD2 4.49Å; F40-P71 HydrophobicContact CD1-CG 3.35Å; F40-P71 HydrophobicContact CE1-CG 3.36Å; F40-P71 HydrophobicContact CG-CG 4.12Å; F40-P71 HydrophobicContact CZ-CG 4.11Å; F40-M72 HydrophobicContact CE2-SD 4.15Å
41G97.6Very high96.3Very high71 Ų7155.7 Ų55.773%0.73229%0.292SS*.THydrogen-bonded Turntrans63.828.6-177.100000113.6C37 D38C37-G41 PolarHBondContact O-N 2.66Å; D38-G41 PolarHBondContact O-N 2.95Å; D38-G41 VanDerWaalsContact O-N 3.15Å
42K97.9Very high96Very high68 Ų6853.5 Ų53.530%0.29628%0.279SS..  trans-105.2158.7-180-55.7-63.9180139.30110.8Q34 C37 F40 L68 L70Q34-K42 PolarHBondContact NE2-O 3.26Å; Q34-K42 VanDerWaalsContact NE2-O 3.17Å; C37-K42 CarbonylContact C-O 3.53Å; C37-K42 HydrophobicContact CB-CB 4.06Å; C37-K42 WeakPolarHBondContact CB-O 3.29Å; C37-K42 PolarHBondContact O-N 3.1Å; F40-K42 VanDerWaalsContact C-N 3.25Å; F40-K42 HydrophobicContact CB-CG 4.05Å; F40-K42 PolarHBondContact O-N 3.1Å; K42-L68 HydrophobicContact CB-CB 4.45Å; K42-L68 VanDerWaalsContact CD-O 3.31Å; K42-L68 WeakPolarHBondContact CD-O 3.34Å; K42-L68 WeakPolarHBondContact CE-O 3.43Å; K42-L68 PolarHBondContact NZ-O 2.96Å; K42-L70 HydrophobicContact CB-CD2 4.22Å; K42-L70 HydrophobicContact CG-CD2 3.87Å
43Q97.6Very high95.4Very high141 Ų14155.9 Ų55.966%0.65929%0.29SS*.  trans-116.3130.2175.9-68.6-171.3-2.700110.9T45 L68Q43-T45 HydrophobicContact CB-CG2 4.12Å; Q43-T45 PolarHBondContact O-N 2.75Å; Q43-T45 VanDerWaalsContact O-N 3.16Å; Q43-L68 VanDerWaalsContact O-CD2 3.28Å; Q43-L68 WeakPolarHBondContact O-CD2 3.42Å
44Y97.4Very high94.5Very high19 Ų1957.7 Ų57.78%0.07532%0.315CS..  trans-83.784.1172-171.7-112.1000109.3T30 F33 V48 K49 I64 L68T30-Y44 HydrophobicContact CG2-CD1 4.08Å; F33-Y44 HydrophobicContact CB-CD1 3.91Å; F33-Y44 HydrophobicContact CB-CD2 3.88Å; F33-Y44 HydrophobicContact CB-CE1 4.06Å; F33-Y44 HydrophobicContact CB-CE2 4.04Å; F33-Y44 HydrophobicContact CB-CG 3.81Å; F33-Y44 HydrophobicContact CD2-CE1 4.27Å; F33-Y44 HydrophobicContact CD2-CE2 4.43Å; F33-Y44 AromaticContact CD2-CZ 3.99Å; F33-Y44 HydrophobicContact CG-CE2 4.24Å; Y44-V48 HydrophobicContact CD2-CB 4.35Å; Y44-V48 HydrophobicContact CD2-CG1 3.91Å; Y44-V48 HydrophobicContact CE2-CB 4.3Å; Y44-V48 HydrophobicContact CE2-CG1 3.67Å; Y44-K49 HydrophobicContact CE1-CB 3.95Å; Y44-K49 HydrophobicContact CE1-CG 4.24Å; Y44-I64 HydrophobicContact CD2-CG2 4.19Å; Y44-I64 HydrophobicContact CE2-CD1 3.71Å; Y44-I64 HydrophobicContact CE2-CG1 3.86Å; Y44-I64 HydrophobicContact CE2-CG2 4.09Å; Y44-L68 HydrophobicContact CD2-CD1 4.39Å
45T95Very high93.9Very high54 Ų5460.7 Ų60.733%0.33133%0.327SS..  trans-77.8166.7-174.867.70000112.5Q43 D47 V48 K49Q43-T45 HydrophobicContact CB-CG2 4.12Å; Q43-T45 PolarHBondContact O-N 2.75Å; Q43-T45 VanDerWaalsContact O-N 3.16Å; T45-D47 VanDerWaalsContact C-N 3.26Å; T45-D47 PolarHBondContact O-N 3.15Å; T45-V48 PolarHBondContact O-N 3.32Å; T45-V48 PolarHBondContact OG1-N 3.03Å; T45-K49 PolarHBondContact O-N 2.87Å
46W93.4Very high93.4Very high62 Ų6264.9 Ų64.924%0.23534%0.344CS..Hα-helixtrans-56.9-38.1171.9176.5-104.1000113V48 K49 S50 M53 D199 N201 L202W46-V48 VanDerWaalsContact C-N 3.33Å; W46-V48 PolarHBondContact O-N 3.29Å; W46-K49 HydrophobicContact CE3-CD 3.99Å; W46-K49 HydrophobicContact CZ3-CD 3.91Å; W46-K49 PolarHBondContact O-N 3.08Å; W46-S50 WeakPolarHBondContact O-CB 3.42Å; W46-S50 PolarHBondContact O-N 3.16Å; W46-S50 PolarHBondContact O-OG 3.25Å; W46-M53 HydrophobicContact CH2-SD 4.22Å; W46-D199 HydrophobicContact CH2-CB 3.77Å; W46-D199 HydrophobicContact CZ3-CB 4.11Å; W46-D199 VanDerWaalsContact CZ3-CG 3.46Å; W46-D199 WeakPolarHBondContact CZ3-OD2 3.43Å; W46-N201 HydrophobicContact CD2-CB 3.44Å; W46-N201 VanDerWaalsContact CD2-CB 3.44Å; W46-N201 HydrophobicContact CE3-CB 3.8Å; W46-N201 HydrophobicContact CG-CB 3.95Å; W46-N201 HydrophobicContact CH2-CB 4.01Å; W46-N201 HydrophobicContact CZ2-CB 3.68Å; W46-N201 WeakPolarHBondContact CZ2-O 3.48Å; W46-N201 HydrophobicContact CZ3-CB 4.05Å; W46-N201 PolarHBondContact NE1-O 3.38Å; W46-L202 HydrophobicContact CZ2-CB 4.32Å; W46-L202 HydrophobicContact CZ2-CD1 4.34Å
47D93Very high93Very high121 Ų12167.4 Ų67.465%0.64737%0.365SS*.Hα-helixtrans-62.4-42.5178.9-66.4-22.6000111.3T45 S50 S51T45-D47 VanDerWaalsContact C-N 3.26Å; T45-D47 PolarHBondContact O-N 3.15Å; D47-S50 PolarHBondContact O-OG 3.5Å; D47-S50 VanDerWaalsContact O-OG 3.08Å; D47-S51 WeakPolarHBondContact O-CB 3.44Å; D47-S51 PolarHBondContact O-N 2.93Å; D47-S51 VanDerWaalsContact O-N 3.16Å
48V95Very high92.8Very high12 Ų1271 Ų717%0.07338%0.384CS..Hα-helixtrans-66.6-46.8175.1-178.60000110.3Y44 T45 W46 S50 S51 I64 L68Y44-V48 HydrophobicContact CD2-CB 4.35Å; Y44-V48 HydrophobicContact CD2-CG1 3.91Å; Y44-V48 HydrophobicContact CE2-CB 4.3Å; Y44-V48 HydrophobicContact CE2-CG1 3.67Å; T45-V48 PolarHBondContact O-N 3.32Å; T45-V48 PolarHBondContact OG1-N 3.03Å; W46-V48 VanDerWaalsContact C-N 3.33Å; W46-V48 PolarHBondContact O-N 3.29Å; V48-S50 PolarHBondContact O-N 3.12Å; V48-S51 PolarHBondContact O-N 3.48Å; V48-S51 PolarHBondContact O-OG 2.92Å; V48-I64 HydrophobicContact CG1-CB 4.41Å; V48-I64 HydrophobicContact CG1-CG1 4.05Å; V48-I64 HydrophobicContact CG1-CG2 4.36Å; V48-L68 HydrophobicContact CG2-CD2 3.95Å; V48-L68 HydrophobicContact CG2-CG 4.28Å
49K94.2Very high92.6Very high15 Ų1570 Ų707%0.06538%0.379CS..Hα-helixtrans-55.8-52.3177.9-177.7-179.3173.9-175.20111.9E26 Y44 T45 W46 S51 V52 M53 D199E26-K49 WeakPolarHBondContact OE2-CE 3.22Å; E26-K49 IonicContact OE2-NZ 3.84Å; E26-K49 PolarHBondContact OE2-NZ 3.24Å; E26-K49 VanDerWaalsContact OE2-NZ 3.1Å; Y44-K49 HydrophobicContact CE1-CB 3.95Å; Y44-K49 HydrophobicContact CE1-CG 4.24Å; T45-K49 PolarHBondContact O-N 2.87Å; W46-K49 HydrophobicContact CE3-CD 3.99Å; W46-K49 HydrophobicContact CZ3-CD 3.91Å; W46-K49 PolarHBondContact O-N 3.08Å; K49-S51 VanDerWaalsContact C-N 3.26Å; K49-S51 PolarHBondContact O-N 3.38Å; K49-V52 WeakPolarHBondContact O-CG2 3.4Å; K49-V52 PolarHBondContact O-N 3.27Å; K49-V52 VanDerWaalsContact O-N 3.12Å; K49-M53 WeakPolarHBondContact O-CG 3.27Å; K49-M53 PolarHBondContact O-N 3.47Å; K49-D199 IonicContact NZ-OD2 2.59Å
50S90.8Very high92.5Very high44 Ų4463.3 Ų63.331%0.30836%0.356SS..Hα-helixtrans-63.3-30.6-178.864.30000113W46 D47 V48 V52W46-S50 WeakPolarHBondContact O-CB 3.42Å; W46-S50 PolarHBondContact O-N 3.16Å; W46-S50 PolarHBondContact O-OG 3.25Å; D47-S50 PolarHBondContact O-OG 3.5Å; D47-S50 VanDerWaalsContact O-OG 3.08Å; V48-S50 PolarHBondContact O-N 3.12Å; S50-V52 PolarHBondContact O-N 2.68Å
51S91Very high92.5Very high42 Ų4260.4 Ų60.429%0.29434%0.344SS..Hα-helixtrans-67.7-17.8176.881.50000114.5D47 V48 K49 K55 I63D47-S51 WeakPolarHBondContact O-CB 3.44Å; D47-S51 PolarHBondContact O-N 2.93Å; D47-S51 VanDerWaalsContact O-N 3.16Å; V48-S51 PolarHBondContact O-N 3.48Å; V48-S51 PolarHBondContact O-OG 2.92Å; K49-S51 VanDerWaalsContact C-N 3.26Å; K49-S51 PolarHBondContact O-N 3.38Å; S51-K55 WeakPolarHBondContact O-CE 3.1Å; S51-K55 PolarHBondContact O-NZ 2.68Å; S51-I63 WeakPolarHBondContact OG-CG2 3.49Å
52V91.5Very high92.5Very high13 Ų1359.9 Ų59.98%0.07932%0.322CS..Hα-helixtrans-113.2-6.6-177.9-59.20000114.4K49 S50 G54 K55 A60 I63 I64K49-V52 WeakPolarHBondContact O-CG2 3.4Å; K49-V52 PolarHBondContact O-N 3.27Å; K49-V52 VanDerWaalsContact O-N 3.12Å; S50-V52 PolarHBondContact O-N 2.68Å; V52-G54 PolarHBondContact O-N 2.69Å; V52-K55 WeakPolarHBondContact O-CB 3.42Å; V52-K55 PolarHBondContact O-N 3.39Å; V52-K55 VanDerWaalsContact O-N 3.08Å; V52-A60 HydrophobicContact CB-CB 3.83Å; V52-A60 HydrophobicContact CG1-CB 4.21Å; V52-A60 HydrophobicContact CG2-CB 4.49Å; V52-I63 HydrophobicContact CG1-CB 3.7Å; V52-I63 HydrophobicContact CG1-CD1 4.24Å; V52-I63 HydrophobicContact CG1-CG2 3.55Å; V52-I64 HydrophobicContact CG1-CG1 3.93Å; V52-I64 HydrophobicContact CG2-CD1 4.27Å; V52-I64 HydrophobicContact CG2-CG1 4.36Å
53M86Confident92.5Very high50 Ų5058.5 Ų58.525%0.24632%0.317CS..THydrogen-bonded Turntrans-55.3128.5176.3-72.2175.875.600110.9W46 K49 K55 L202W46-M53 HydrophobicContact CH2-SD 4.22Å; K49-M53 WeakPolarHBondContact O-CG 3.27Å; K49-M53 PolarHBondContact O-N 3.47Å; M53-K55 VanDerWaalsContact C-N 3.26Å; M53-K55 PolarHBondContact O-N 3.01Å; M53-L202 HydrophobicContact CE-CD1 4.26Å; M53-L202 HydrophobicContact SD-CD1 4.3Å
54G78.3Confident92.5Very high58 Ų5851.8 Ų51.860%0.59829%0.286SS*.THydrogen-bonded Turntrans73.79.5178.900000115.5V52 N182V52-G54 PolarHBondContact O-N 2.69Å; G54-N182 WeakPolarHBondContact CA-ND2 3.46Å; G54-N182 PolarHBondContact O-ND2 3Å
55K86.7Confident92.5Very high107 Ų10753.7 Ų53.747%0.46529%0.293SS..SBendtrans-89.2157.9173.1-61.8-166.1177.4-177.70111.5S51 V52 M53 D59 A60 I63S51-K55 WeakPolarHBondContact O-CE 3.1Å; S51-K55 PolarHBondContact O-NZ 2.68Å; V52-K55 WeakPolarHBondContact O-CB 3.42Å; V52-K55 PolarHBondContact O-N 3.39Å; V52-K55 VanDerWaalsContact O-N 3.08Å; M53-K55 VanDerWaalsContact C-N 3.26Å; M53-K55 PolarHBondContact O-N 3.01Å; K55-D59 HydrophobicContact CB-CB 4.49Å; K55-A60 HydrophobicContact CB-CB 4.37Å; K55-I63 HydrophobicContact CD-CD1 3.25Å
56K86.8Confident92.6Very high165 Ų16555.5 Ų55.572%0.71730%0.301SS*.  trans-63.1148.9171.6-66.9177.4177.3177.10109.5L58 D59 A60K56-L58 VanDerWaalsContact C-N 3.3Å; K56-L58 PolarHBondContact O-N 3.06Å; K56-D59 PolarHBondContact O-N 3Å; K56-D59 VanDerWaalsContact O-N 3.1Å; K56-A60 WeakPolarHBondContact O-CB 3.43Å; K56-A60 PolarHBondContact O-N 3.41Å
57A90.1Very high92.8Very high53 Ų5355.8 Ų55.844%0.43831%0.312SS..Hα-helixtrans-56.8-39.1-171.300000114.1A61 L78A57-A61 WeakPolarHBondContact O-CB 3.46Å; A57-A61 PolarHBondContact O-N 2.75Å; A57-L78 HydrophobicContact CB-CD1 3.84Å; A57-L78 HydrophobicContact CB-CD2 4.37Å
58L93.6Very high93Very high76 Ų7651 Ų5140%0.39829%0.287SS..Hα-helixtrans-71.6-42.8177.9-173.361.4000111.8K56 A60 A61 Q62 A74 E75 L78K56-L58 VanDerWaalsContact C-N 3.3Å; K56-L58 PolarHBondContact O-N 3.06Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 2.78Å; L58-A61 PolarHBondContact O-N 2.62Å; L58-Q62 VanDerWaalsContact O-CB 3.28Å; L58-Q62 WeakPolarHBondContact O-CB 3.23Å; L58-Q62 PolarHBondContact O-N 2.92Å; L58-A74 HydrophobicContact CD1-CB 4.08Å; L58-E75 HydrophobicContact CD1-CG 4.11Å; L58-L78 HydrophobicContact CB-CD2 4.41Å; L58-L78 HydrophobicContact CD1-CD2 4.3Å
59D94.4Very high93.1Very high83 Ų8356.4 Ų56.444%0.44432%0.315SS..Hα-helixtrans-62.5-39.9175.8-58.5-26.2000111.2K55 K56 Q62 I63K55-D59 HydrophobicContact CB-CB 4.49Å; K56-D59 PolarHBondContact O-N 3Å; K56-D59 VanDerWaalsContact O-N 3.1Å; D59-Q62 WeakPolarHBondContact O-CB 3.39Å; D59-Q62 PolarHBondContact O-N 3.16Å; D59-I63 VanDerWaalsContact O-CD1 3.3Å; D59-I63 WeakPolarHBondContact O-CD1 3.27Å; D59-I63 VanDerWaalsContact O-CG1 3.28Å; D59-I63 WeakPolarHBondContact O-CG1 3.42Å; D59-I63 PolarHBondContact O-N 3.4Å
60A94.9Very high93.3Very high13 Ų1356 Ų5611%0.10731%0.314CS..Hα-helixtrans-61.4-50.9173.700000111V52 K55 K56 L58 Q62 I63 I64V52-A60 HydrophobicContact CB-CB 3.83Å; V52-A60 HydrophobicContact CG1-CB 4.21Å; V52-A60 HydrophobicContact CG2-CB 4.49Å; K55-A60 HydrophobicContact CB-CB 4.37Å; K56-A60 WeakPolarHBondContact O-CB 3.43Å; K56-A60 PolarHBondContact O-N 3.41Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 2.78Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.09Å; A60-I63 PolarHBondContact O-N 3.11Å; A60-I64 VanDerWaalsContact O-CG1 3.25Å; A60-I64 WeakPolarHBondContact O-CG1 3.22Å; A60-I64 PolarHBondContact O-N 2.93Å
61A97.2Very high93.6Very high1 Ų158.5 Ų58.51%0.00833%0.329CS..Hα-helixtrans-58.5-40.9177.600000112.1A57 L58 I64 R65 A74 L77 L78A57-A61 WeakPolarHBondContact O-CB 3.46Å; A57-A61 PolarHBondContact O-N 2.75Å; L58-A61 PolarHBondContact O-N 2.62Å; A61-I64 PolarHBondContact O-N 3.29Å; A61-R65 VanDerWaalsContact O-CB 3.29Å; A61-R65 WeakPolarHBondContact O-CB 3.35Å; A61-R65 PolarHBondContact O-N 2.89Å; A61-A74 HydrophobicContact CB-CB 4.24Å; A61-A74 WeakPolarHBondContact CB-O 3.13Å; A61-L77 HydrophobicContact CB-CD2 4.17Å; A61-L77 HydrophobicContact CB-CG 4.42Å; A61-L77 WeakPolarHBondContact O-CD2 3.4Å; A61-L78 HydrophobicContact CB-CB 4.11Å
62Q97.9Very high93.9Very high61 Ų6157.6 Ų57.629%0.28532%0.32SS..Hα-helixtrans-58.6-47.6175.6178.555.854.300111.8L58 D59 A60 R65 D66 A74L58-Q62 VanDerWaalsContact O-CB 3.28Å; L58-Q62 WeakPolarHBondContact O-CB 3.23Å; L58-Q62 PolarHBondContact O-N 2.92Å; D59-Q62 WeakPolarHBondContact O-CB 3.39Å; D59-Q62 PolarHBondContact O-N 3.16Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.09Å; Q62-R65 PolarHBondContact O-N 2.86Å; Q62-D66 PolarHBondContact NE2-OD1 3.26Å; Q62-D66 PolarHBondContact NE2-OD2 3.48Å; Q62-D66 WeakPolarHBondContact O-CB 3.5Å; Q62-D66 PolarHBondContact O-N 3.3Å; Q62-A74 HydrophobicContact CB-CB 3.99Å
63I97.4Very high94.3Very high38 Ų3859.7 Ų59.720%0.19533%0.333CS..Hα-helixtrans-66.7-42.5177.8-68.1157.2000112S51 V52 K55 D59 A60 R65 D66 S67S51-I63 WeakPolarHBondContact OG-CG2 3.49Å; V52-I63 HydrophobicContact CG1-CB 3.7Å; V52-I63 HydrophobicContact CG1-CD1 4.24Å; V52-I63 HydrophobicContact CG1-CG2 3.55Å; K55-I63 HydrophobicContact CD-CD1 3.25Å; D59-I63 VanDerWaalsContact O-CD1 3.3Å; D59-I63 WeakPolarHBondContact O-CD1 3.27Å; D59-I63 VanDerWaalsContact O-CG1 3.28Å; D59-I63 WeakPolarHBondContact O-CG1 3.42Å; D59-I63 PolarHBondContact O-N 3.4Å; A60-I63 PolarHBondContact O-N 3.11Å; I63-R65 VanDerWaalsContact C-N 3.34Å; I63-D66 PolarHBondContact O-N 3.16Å; I63-S67 VanDerWaalsContact O-CB 3.22Å; I63-S67 WeakPolarHBondContact O-CB 3.25Å; I63-S67 PolarHBondContact O-N 3.27Å; I63-S67 PolarHBondContact O-OG 3.2Å
64I97.8Very high94.8Very high0 Ų057.3 Ų57.30%032%0.321CS..Hα-helixtrans-61-48.3178.8-65.1169.9000109.7F33 Y44 V48 V52 A60 A61 D66 S67 L68 L70 L77F33-I64 HydrophobicContact CD1-CD1 3.79Å; F33-I64 HydrophobicContact CD1-CG2 4.49Å; F33-I64 HydrophobicContact CD2-CD1 4.17Å; F33-I64 HydrophobicContact CE1-CD1 3.55Å; F33-I64 HydrophobicContact CE2-CD1 3.95Å; F33-I64 HydrophobicContact CG-CD1 4.11Å; F33-I64 HydrophobicContact CZ-CD1 3.64Å; Y44-I64 HydrophobicContact CD2-CG2 4.19Å; Y44-I64 HydrophobicContact CE2-CD1 3.71Å; Y44-I64 HydrophobicContact CE2-CG1 3.86Å; Y44-I64 HydrophobicContact CE2-CG2 4.09Å; V48-I64 HydrophobicContact CG1-CB 4.41Å; V48-I64 HydrophobicContact CG1-CG1 4.05Å; V48-I64 HydrophobicContact CG1-CG2 4.36Å; V52-I64 HydrophobicContact CG1-CG1 3.93Å; V52-I64 HydrophobicContact CG2-CD1 4.27Å; V52-I64 HydrophobicContact CG2-CG1 4.36Å; A60-I64 VanDerWaalsContact O-CG1 3.25Å; A60-I64 WeakPolarHBondContact O-CG1 3.22Å; A60-I64 PolarHBondContact O-N 2.93Å; A61-I64 PolarHBondContact O-N 3.29Å; I64-D66 PolarHBondContact O-N 3.1Å; I64-S67 PolarHBondContact O-N 2.85Å; I64-L68 HydrophobicContact CG2-CD1 4.07Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 PolarHBondContact O-N 3.42Å; I64-L68 VanDerWaalsContact O-N 3.08Å; I64-L70 HydrophobicContact CG2-CD1 4.32Å; I64-L77 HydrophobicContact CB-CD2 3.99Å; I64-L77 HydrophobicContact CG2-CD2 3.9Å
65R97.8Very high95.8Very high59 Ų5959.9 Ų59.922%0.22332%0.318CS..Hα-helixtrans-55.8-52.2177.2-179.7-156.869.8-179.428.1111A61 Q62 I63 L68 D69 L70 M72 L77A61-R65 VanDerWaalsContact O-CB 3.29Å; A61-R65 WeakPolarHBondContact O-CB 3.35Å; A61-R65 PolarHBondContact O-N 2.89Å; Q62-R65 PolarHBondContact O-N 2.86Å; I63-R65 VanDerWaalsContact C-N 3.34Å; R65-L68 PolarHBondContact O-N 3.13Å; R65-D69 WeakPolarHBondContact O-CA 3.44Å; R65-D69 PolarHBondContact O-N 3.33Å; R65-L70 HydrophobicContact CG-CB 4.17Å; R65-L70 PolarHBondContact O-N 3.36Å; R65-M72 WeakPolarHBondContact CD-O 3.41Å; R65-M72 WeakPolarHBondContact CG-O 2.9Å; R65-L77 HydrophobicContact CB-CD2 4.33Å
66D97.6Very high96.3Very high93 Ų9359.3 Ų59.350%0.49732%0.317SS..Hα-helixtrans-66.5-40.8-177-66.4-14.5000112Q62 I63 I64 L68 D69Q62-D66 PolarHBondContact NE2-OD1 3.26Å; Q62-D66 PolarHBondContact NE2-OD2 3.48Å; Q62-D66 WeakPolarHBondContact O-CB 3.5Å; Q62-D66 PolarHBondContact O-N 3.3Å; I63-D66 PolarHBondContact O-N 3.16Å; I64-D66 PolarHBondContact O-N 3.1Å; D66-L68 VanDerWaalsContact C-N 3.28Å; D66-L68 PolarHBondContact O-N 3.44Å; D66-D69 PolarHBondContact O-N 3.15Å
67S97.4Very high96.8Very high67 Ų6751.4 Ų51.447%0.46928%0.283SS..Hα-helixtrans-67.2-30.3-178.2-57.40000112.7I63 I64I63-S67 VanDerWaalsContact O-CB 3.22Å; I63-S67 WeakPolarHBondContact O-CB 3.25Å; I63-S67 PolarHBondContact O-N 3.27Å; I63-S67 PolarHBondContact O-OG 3.2Å; I64-S67 PolarHBondContact O-N 2.85Å
68L97.6Very high97.1Very high22 Ų2250.2 Ų50.212%0.11527%0.269CS..Hα-helixtrans-105.2-2.8-177.5-63.6179.8000113.3C37 K42 Q43 Y44 V48 I64 R65 D66 L70C37-L68 VanDerWaalsContact SG-CD1 3.52Å; K42-L68 HydrophobicContact CB-CB 4.45Å; K42-L68 VanDerWaalsContact CD-O 3.31Å; K42-L68 WeakPolarHBondContact CD-O 3.34Å; K42-L68 WeakPolarHBondContact CE-O 3.43Å; K42-L68 PolarHBondContact NZ-O 2.96Å; Q43-L68 VanDerWaalsContact O-CD2 3.28Å; Q43-L68 WeakPolarHBondContact O-CD2 3.42Å; Y44-L68 HydrophobicContact CD2-CD1 4.39Å; V48-L68 HydrophobicContact CG2-CD2 3.95Å; V48-L68 HydrophobicContact CG2-CG 4.28Å; I64-L68 HydrophobicContact CG2-CD1 4.07Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 PolarHBondContact O-N 3.42Å; I64-L68 VanDerWaalsContact O-N 3.08Å; R65-L68 PolarHBondContact O-N 3.13Å; D66-L68 VanDerWaalsContact C-N 3.28Å; D66-L68 PolarHBondContact O-N 3.44Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 HydrophobicContact CB-CD2 3.91Å; L68-L70 HydrophobicContact CB-CG 3.92Å; L68-L70 PolarHBondContact O-N 2.89Å
69D97.2Very high97.3Very high124 Ų12453.1 Ų53.166%0.66328%0.278SS*.THydrogen-bonded Turntrans50.753.4-174.4-17240.5000111R65 D66R65-D69 WeakPolarHBondContact O-CA 3.44Å; R65-D69 PolarHBondContact O-N 3.33Å; D66-D69 PolarHBondContact O-N 3.15Å
70L97.6Very high97.5Very high8 Ų851.4 Ų51.44%0.04227%0.267CS..  trans-75.6131.5179.5-59.5-179.3000109.8F40 K42 I64 R65 L68 M72 L77F40-L70 HydrophobicContact CB-CD2 4.4Å; F40-L70 HydrophobicContact CD2-CD2 3.99Å; F40-L70 HydrophobicContact CG-CD2 4.49Å; K42-L70 HydrophobicContact CB-CD2 4.22Å; K42-L70 HydrophobicContact CG-CD2 3.87Å; I64-L70 HydrophobicContact CG2-CD1 4.32Å; R65-L70 HydrophobicContact CG-CB 4.17Å; R65-L70 PolarHBondContact O-N 3.36Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 HydrophobicContact CB-CD2 3.91Å; L68-L70 HydrophobicContact CB-CG 3.92Å; L68-L70 PolarHBondContact O-N 2.89Å; L70-M72 HydrophobicContact CB-CG 4.12Å; L70-M72 PolarHBondContact O-N 3.5Å; L70-L77 HydrophobicContact CD1-CD1 4.11Å; L70-L77 HydrophobicContact CD1-CD2 4.05Å
71P97.3Very high97.6Very high95 Ų9550.8 Ų50.862%0.61726%0.262SS*.SBendtrans-81.255-177.535.9-37.8000111.6F40F40-P71 HydrophobicContact CD1-CG 3.35Å; F40-P71 HydrophobicContact CE1-CG 3.36Å; F40-P71 HydrophobicContact CG-CG 4.12Å; F40-P71 HydrophobicContact CZ-CG 4.11Å
72M97.6Very high97.5Very high23 Ų2356.9 Ų56.911%0.11329%0.285CS..SBendtrans-154163.5179.269.1-169.1-48.600110.1I36 F40 R65 L70 E76 L77 E80I36-M72 HydrophobicContact CG2-SD 3.94Å; F40-M72 HydrophobicContact CE2-SD 4.15Å; R65-M72 WeakPolarHBondContact CD-O 3.41Å; R65-M72 WeakPolarHBondContact CG-O 2.9Å; L70-M72 HydrophobicContact CB-CG 4.12Å; L70-M72 PolarHBondContact O-N 3.5Å; M72-E76 HydrophobicContact CB-CB 4.35Å; M72-E76 HydrophobicContact CE-CB 3.7Å; M72-L77 HydrophobicContact CE-CB 4.16Å; M72-L77 HydrophobicContact CG-CB 4.32Å; M72-L77 HydrophobicContact SD-CB 3.95Å; M72-L77 HydrophobicContact SD-CD1 3.97Å; M72-E80 HydrophobicContact CE-CG 4.32Å
73T98.4Very high97.4Very high58 Ų5859.4 Ų59.436%0.35630%0.297SS..  trans-76.4163.8174.461.40000112.2E75 E76 L77T73-E75 VanDerWaalsContact C-N 3.26Å; T73-E75 PolarHBondContact O-N 3.5Å; T73-E76 WeakPolarHBondContact CB-OE2 3.44Å; T73-E76 PolarHBondContact N-OE2 3.1Å; T73-E76 PolarHBondContact O-N 3.04Å; T73-E76 WeakPolarHBondContact OG1-CB 3.27Å; T73-E76 WeakPolarHBondContact OG1-CG 3.47Å; T73-E76 PolarHBondContact OG1-N 2.78Å; T73-E76 VanDerWaalsContact OG1-N 3.14Å; T73-E76 PolarHBondContact OG1-OE2 3.38Å; T73-L77 PolarHBondContact O-N 3.14Å
74A97.7Very high97.5Very high0 Ų058.4 Ų58.40%029%0.292CS..Hα-helixtrans-66.7-34.2176.700000111L58 A61 Q62 L77 L78L58-A74 HydrophobicContact CD1-CB 4.08Å; A61-A74 HydrophobicContact CB-CB 4.24Å; A61-A74 WeakPolarHBondContact CB-O 3.13Å; Q62-A74 HydrophobicContact CB-CB 3.99Å; A74-L77 PolarHBondContact O-N 2.92Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.33Å; A74-L78 PolarHBondContact O-N 2.86Å
75E98.1Very high97.5Very high112 Ų11259.4 Ų59.452%0.52330%0.296SS..Hα-helixtrans-66.4-43.3176.4-66.778.7-177.700111.8L58 T73 L78 K79L58-E75 HydrophobicContact CD1-CG 4.11Å; T73-E75 VanDerWaalsContact C-N 3.26Å; T73-E75 PolarHBondContact O-N 3.5Å; E75-L78 PolarHBondContact O-N 2.94Å; E75-K79 VanDerWaalsContact O-CB 3.29Å; E75-K79 WeakPolarHBondContact O-CB 3.28Å; E75-K79 PolarHBondContact O-N 2.89Å
76E98.2Very high97.4Very high94 Ų9461.9 Ų61.944%0.43931%0.31SS..Hα-helixtrans-63.3-45.7173.7-74.1162.9150.400110.8M72 T73 L78 K79 E80M72-E76 HydrophobicContact CB-CB 4.35Å; M72-E76 HydrophobicContact CE-CB 3.7Å; T73-E76 WeakPolarHBondContact CB-OE2 3.44Å; T73-E76 PolarHBondContact N-OE2 3.1Å; T73-E76 PolarHBondContact O-N 3.04Å; T73-E76 WeakPolarHBondContact OG1-CB 3.27Å; T73-E76 WeakPolarHBondContact OG1-CG 3.47Å; T73-E76 PolarHBondContact OG1-N 2.78Å; T73-E76 VanDerWaalsContact OG1-N 3.14Å; T73-E76 PolarHBondContact OG1-OE2 3.38Å; E76-L78 VanDerWaalsContact C-N 3.32Å; E76-L78 PolarHBondContact O-N 3.41Å; E76-K79 PolarHBondContact O-N 3.46Å; E76-E80 WeakPolarHBondContact O-CB 3.45Å; E76-E80 WeakPolarHBondContact O-CG 3.13Å; E76-E80 PolarHBondContact O-N 3.45Å
77L98.1Very high97.4Very high0 Ų064.8 Ų64.80%031%0.314CS..Hα-helixtrans-60.2-44.3177.8177.862.8000111.3F33 I36 A61 I64 R65 L70 M72 T73 A74 K79 S81F33-L77 HydrophobicContact CD1-CD1 4.17Å; F33-L77 HydrophobicContact CD1-CG 4.5Å; F33-L77 HydrophobicContact CE1-CD1 4.3Å; F33-L77 HydrophobicContact CE1-CD2 4.39Å; F33-L77 HydrophobicContact CE1-CG 4.17Å; I36-L77 HydrophobicContact CB-CD1 4.34Å; I36-L77 HydrophobicContact CD1-CD1 3.77Å; I36-L77 HydrophobicContact CG2-CD1 3.8Å; A61-L77 HydrophobicContact CB-CD2 4.17Å; A61-L77 HydrophobicContact CB-CG 4.42Å; A61-L77 WeakPolarHBondContact O-CD2 3.4Å; I64-L77 HydrophobicContact CB-CD2 3.99Å; I64-L77 HydrophobicContact CG2-CD2 3.9Å; R65-L77 HydrophobicContact CB-CD2 4.33Å; L70-L77 HydrophobicContact CD1-CD1 4.11Å; L70-L77 HydrophobicContact CD1-CD2 4.05Å; M72-L77 HydrophobicContact CE-CB 4.16Å; M72-L77 HydrophobicContact CG-CB 4.32Å; M72-L77 HydrophobicContact SD-CB 3.95Å; M72-L77 HydrophobicContact SD-CD1 3.97Å; T73-L77 PolarHBondContact O-N 3.14Å; A74-L77 PolarHBondContact O-N 2.92Å; L77-K79 VanDerWaalsContact C-N 3.35Å; L77-S81 VanDerWaalsContact O-CB 3.25Å; L77-S81 WeakPolarHBondContact O-CB 3.33Å; L77-S81 PolarHBondContact O-N 3.42Å; L77-S81 PolarHBondContact O-OG 3.46Å
78L96.3Very high97.4Very high28 Ų2862.4 Ų62.415%0.14730%0.296CS..Hα-helixtrans-64.5-39.9177.4-178.958.9000111.7A57 L58 A61 A74 E75 E76 S81 R82A57-L78 HydrophobicContact CB-CD1 3.84Å; A57-L78 HydrophobicContact CB-CD2 4.37Å; L58-L78 HydrophobicContact CB-CD2 4.41Å; L58-L78 HydrophobicContact CD1-CD2 4.3Å; A61-L78 HydrophobicContact CB-CB 4.11Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.33Å; A74-L78 PolarHBondContact O-N 2.86Å; E75-L78 PolarHBondContact O-N 2.94Å; E76-L78 VanDerWaalsContact C-N 3.32Å; E76-L78 PolarHBondContact O-N 3.41Å; L78-S81 WeakPolarHBondContact CA-OG 3.45Å; L78-S81 PolarHBondContact O-OG 3.35Å; L78-S81 VanDerWaalsContact O-OG 3.04Å; L78-R82 WeakPolarHBondContact O-CB 3.39Å; L78-R82 WeakPolarHBondContact O-CG 3.28Å; L78-R82 PolarHBondContact O-N 3.08Å; L78-R82 VanDerWaalsContact O-N 3.14Å
79K97.4Very high97.4Very high136 Ų13661.6 Ų61.659%0.59129%0.292SS*.Hα-helixtrans-67.1-48.6178-177.7-176.9176.3-173.30111.6E75 E76 L77 R82 Q83E75-K79 VanDerWaalsContact O-CB 3.29Å; E75-K79 WeakPolarHBondContact O-CB 3.28Å; E75-K79 PolarHBondContact O-N 2.89Å; E76-K79 PolarHBondContact O-N 3.46Å; L77-K79 VanDerWaalsContact C-N 3.35Å; K79-R82 PolarHBondContact O-N 3.28Å; K79-Q83 PolarHBondContact O-N 3.18Å
80E97.7Very high97.5Very high47 Ų4758.1 Ų58.122%0.2228%0.276CS..Hα-helixtrans-64.9-43.6179.6-71.5-169.9-169.500111.5I36 R39 M72 E76 R82 Q83 I84I36-E80 HydrophobicContact CD1-CB 3.82Å; R39-E80 IonicContact CZ-OE2 2.65Å; R39-E80 IonicContact NH1-OE1 3.13Å; R39-E80 IonicContact NH1-OE2 2.8Å; R39-E80 PolarHBondContact NH1-OE2 2.76Å; R39-E80 IonicContact NH2-OE1 3.33Å; R39-E80 IonicContact NH2-OE2 2.89Å; M72-E80 HydrophobicContact CE-CG 4.32Å; E76-E80 WeakPolarHBondContact O-CB 3.45Å; E76-E80 WeakPolarHBondContact O-CG 3.13Å; E76-E80 PolarHBondContact O-N 3.45Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 3.04Å; E80-Q83 WeakPolarHBondContact O-CB 3.45Å; E80-Q83 PolarHBondContact O-N 2.76Å; E80-Q83 VanDerWaalsContact O-N 3.15Å; E80-I84 PolarHBondContact O-N 3.33Å; E80-I84 VanDerWaalsContact O-N 3.13Å
81S97.1Very high97.5Very high0 Ų060.8 Ų60.80%030%0.295CS..Hα-helixtrans-61.7-38.6177.658.10000111.8S32 L77 L78 Q83 I84 Q85S32-S81 PolarHBondContact OG-O 3.14Å; S32-S81 VanDerWaalsContact OG-O 3.1Å; L77-S81 VanDerWaalsContact O-CB 3.25Å; L77-S81 WeakPolarHBondContact O-CB 3.33Å; L77-S81 PolarHBondContact O-N 3.42Å; L77-S81 PolarHBondContact O-OG 3.46Å; L78-S81 WeakPolarHBondContact CA-OG 3.45Å; L78-S81 PolarHBondContact O-OG 3.35Å; L78-S81 VanDerWaalsContact O-OG 3.04Å; S81-Q83 PolarHBondContact O-N 3.01Å; S81-I84 PolarHBondContact O-N 3.43Å; S81-Q85 VanDerWaalsContact O-CB 3.24Å; S81-Q85 WeakPolarHBondContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.36Å; S81-Q85 PolarHBondContact O-N 2.99Å; S81-Q85 PolarHBondContact O-NE2 3.19Å
82R95.5Very high97.6Very high129 Ų12956.4 Ų56.449%0.48727%0.267SS..Hα-helixtrans-60.2-43173.3-76.8174.3-171.3-146.93.9112.9L78 K79 E80 I84 Q85 E86L78-R82 WeakPolarHBondContact O-CB 3.39Å; L78-R82 WeakPolarHBondContact O-CG 3.28Å; L78-R82 PolarHBondContact O-N 3.08Å; L78-R82 VanDerWaalsContact O-N 3.14Å; K79-R82 PolarHBondContact O-N 3.28Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 3.04Å; R82-I84 VanDerWaalsContact C-N 3.32Å; R82-I84 PolarHBondContact O-N 2.89Å; R82-Q85 WeakPolarHBondContact O-CB 3.28Å; R82-Q85 PolarHBondContact O-N 3.44Å; R82-E86 WeakPolarHBondContact O-CG 3.12Å; R82-E86 PolarHBondContact O-N 3.24Å
83Q96.7Very high97.6Very high114 Ų11461.9 Ų61.953%0.53329%0.29SS..Hα-helixtrans-62.5-41178.4-69.3176-21.400111.9K79 E80 S81 R87K79-Q83 PolarHBondContact O-N 3.18Å; E80-Q83 WeakPolarHBondContact O-CB 3.45Å; E80-Q83 PolarHBondContact O-N 2.76Å; E80-Q83 VanDerWaalsContact O-N 3.15Å; S81-Q83 PolarHBondContact O-N 3.01Å; Q83-R87 PolarHBondContact O-N 3.32Å
84I97.8Very high97.6Very high18 Ų1861.1 Ų61.19%0.09228%0.284CS..Hα-helixtrans-67-45.9175.8-62.4166000110.1E35 I36 E80 S81 R82 E86 R87 I88E35-I84 HydrophobicContact CB-CD1 4.2Å; E35-I84 HydrophobicContact CG-CD1 4.08Å; I36-I84 HydrophobicContact CD1-CD1 4Å; I36-I84 HydrophobicContact CG1-CD1 3.59Å; E80-I84 PolarHBondContact O-N 3.33Å; E80-I84 VanDerWaalsContact O-N 3.13Å; S81-I84 PolarHBondContact O-N 3.43Å; R82-I84 VanDerWaalsContact C-N 3.32Å; R82-I84 PolarHBondContact O-N 2.89Å; I84-E86 PolarHBondContact O-N 3.27Å; I84-R87 WeakPolarHBondContact O-CB 3.23Å; I84-R87 PolarHBondContact O-N 3.36Å; I84-R87 VanDerWaalsContact O-N 3.12Å; I84-I88 HydrophobicContact CG2-CD1 4.19Å; I84-I88 HydrophobicContact CG2-CG2 4.49Å; I84-I88 WeakPolarHBondContact O-CG1 3.38Å; I84-I88 PolarHBondContact O-N 3.03Å; I84-I88 VanDerWaalsContact O-N 3.09Å
85Q97.7Very high97.7Very high20 Ų2063.7 Ų63.79%0.09330%0.298CS..Hα-helixtrans-57.3-43.8177.7-79.3164.630.700112.7S32 S81 R82 R87 I88 F89S32-Q85 PolarHBondContact OG-NE2 2.84Å; S81-Q85 VanDerWaalsContact O-CB 3.24Å; S81-Q85 WeakPolarHBondContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.36Å; S81-Q85 PolarHBondContact O-N 2.99Å; S81-Q85 PolarHBondContact O-NE2 3.19Å; R82-Q85 WeakPolarHBondContact O-CB 3.28Å; R82-Q85 PolarHBondContact O-N 3.44Å; Q85-R87 PolarHBondContact O-N 3.38Å; Q85-I88 PolarHBondContact O-N 2.73Å; Q85-I88 VanDerWaalsContact O-N 3.16Å; Q85-F89 HydrophobicContact CB-CD2 3.96Å; Q85-F89 HydrophobicContact CB-CE1 4.31Å; Q85-F89 HydrophobicContact CB-CE2 3.52Å; Q85-F89 HydrophobicContact CB-CZ 3.69Å; Q85-F89 HydrophobicContact CG-CE1 4.14Å; Q85-F89 HydrophobicContact CG-CE2 3.98Å; Q85-F89 HydrophobicContact CG-CZ 3.61Å; Q85-F89 VanDerWaalsContact O-CB 3.3Å; Q85-F89 WeakPolarHBondContact O-CB 3.32Å; Q85-F89 WeakPolarHBondContact O-CD2 3.29Å; Q85-F89 VanDerWaalsContact O-CG 3.23Å; Q85-F89 WeakPolarHBondContact O-CG 3.3Å; Q85-F89 PolarHBondContact O-N 3.01Å
86E96.2Very high97.7Very high111 Ų11161.8 Ų61.852%0.51930%0.295SS..Hα-helixtrans-57.6-37.6176.1-76.6172.4-175.600112.4R82 I84 P90 L125R82-E86 WeakPolarHBondContact O-CG 3.12Å; R82-E86 PolarHBondContact O-N 3.24Å; I84-E86 PolarHBondContact O-N 3.27Å; E86-P90 WeakPolarHBondContact O-CD 3.48Å; E86-L125 HydrophobicContact CB-CD1 4.4Å; E86-L125 HydrophobicContact CG-CD1 3.95Å
87R97.1Very high97.7Very high155 Ų15558 Ų5859%0.58528%0.281SS*.Hα-helixtrans-71.6-38176.6177.417660.7103.5-2.5112.7E35 Q83 I84 Q85E35-R87 VanDerWaalsContact CD-NH2 3.3Å; E35-R87 IonicContact OE1-NH2 2.96Å; E35-R87 PolarHBondContact OE1-NH2 3.24Å; E35-R87 IonicContact OE2-NH2 2.81Å; E35-R87 PolarHBondContact OE2-NH2 2.93Å; Q83-R87 PolarHBondContact O-N 3.32Å; I84-R87 WeakPolarHBondContact O-CB 3.23Å; I84-R87 PolarHBondContact O-N 3.36Å; I84-R87 VanDerWaalsContact O-N 3.12Å; Q85-R87 PolarHBondContact O-N 3.38Å
88I98.1Very high97.7Very high17 Ų1758 Ų589%0.08728%0.281CS..Hα-helixtrans-99.8-23.9-169.969.8179.2000114.3L28 V31 I84 Q85 P90 S91L28-I88 HydrophobicContact CB-CD1 4.04Å; L28-I88 HydrophobicContact CB-CG1 4.33Å; L28-I88 HydrophobicContact CD2-CB 4.47Å; L28-I88 HydrophobicContact CD2-CD1 4.34Å; L28-I88 HydrophobicContact CD2-CG1 4.42Å; L28-I88 VanDerWaalsContact O-CD1 3.27Å; L28-I88 WeakPolarHBondContact O-CD1 3.23Å; V31-I88 HydrophobicContact CB-CD1 4.32Å; V31-I88 HydrophobicContact CG1-CD1 4.12Å; I84-I88 HydrophobicContact CG2-CD1 4.19Å; I84-I88 HydrophobicContact CG2-CG2 4.49Å; I84-I88 WeakPolarHBondContact O-CG1 3.38Å; I84-I88 PolarHBondContact O-N 3.03Å; I84-I88 VanDerWaalsContact O-N 3.09Å; Q85-I88 PolarHBondContact O-N 2.73Å; Q85-I88 VanDerWaalsContact O-N 3.16Å; I88-P90 VanDerWaalsContact C-CD 3.42Å; I88-P90 VanDerWaalsContact C-N 3.34Å; I88-S91 WeakPolarHBondContact O-CB 3.36Å; I88-S91 PolarHBondContact O-N 2.94Å; I88-S91 PolarHBondContact O-OG 2.81Å
89F98.3Very high97.8Very high4 Ų461.8 Ų61.82%0.01830%0.298CS..G310 helixtrans-57.9-33.8179.4-77.8-26.4000115.2L28 Y29 Q85 S91 A92 T122 L125 K126L28-F89 HydrophobicContact CB-CD1 4.14Å; L28-F89 HydrophobicContact CB-CE1 4.16Å; L28-F89 HydrophobicContact CD1-CD1 3.91Å; Y29-F89 HydrophobicContact CD1-CZ 4.3Å; Y29-F89 HydrophobicContact CE1-CE1 4.36Å; Y29-F89 AromaticContact CE1-CZ 3.67Å; Y29-F89 HydrophobicContact CE1-CZ 3.67Å; Y29-F89 HydrophobicContact CE2-CE1 4.29Å; Y29-F89 HydrophobicContact CE2-CZ 4.16Å; Y29-F89 AromaticContact CZ-CZ 3.58Å; Q85-F89 HydrophobicContact CB-CD2 3.96Å; Q85-F89 HydrophobicContact CB-CE1 4.31Å; Q85-F89 HydrophobicContact CB-CE2 3.52Å; Q85-F89 HydrophobicContact CB-CZ 3.69Å; Q85-F89 HydrophobicContact CG-CE1 4.14Å; Q85-F89 HydrophobicContact CG-CE2 3.98Å; Q85-F89 HydrophobicContact CG-CZ 3.61Å; Q85-F89 VanDerWaalsContact O-CB 3.3Å; Q85-F89 WeakPolarHBondContact O-CB 3.32Å; Q85-F89 WeakPolarHBondContact O-CD2 3.29Å; Q85-F89 VanDerWaalsContact O-CG 3.23Å; Q85-F89 WeakPolarHBondContact O-CG 3.3Å; Q85-F89 PolarHBondContact O-N 3.01Å; F89-S91 PolarHBondContact O-N 3.05Å; F89-A92 VanDerWaalsContact O-CB 3.29Å; F89-A92 WeakPolarHBondContact O-CB 3.45Å; F89-A92 PolarHBondContact O-N 3.29Å; F89-T122 HydrophobicContact CD2-CG2 4.12Å; F89-T122 HydrophobicContact CE2-CG2 3.73Å; F89-L125 HydrophobicContact CB-CB 4.01Å; F89-K126 HydrophobicContact CB-CG 3.96Å; F89-K126 HydrophobicContact CD1-CG 4.05Å; F89-K126 HydrophobicContact CD2-CG 4.06Å; F89-K126 HydrophobicContact CG-CG 3.78Å
90P98.3Very high97.8Very high51 Ų5160.5 Ų60.533%0.33129%0.293SS..G310 helixtrans-59.1-17171.4-27.237.1000114.6E86 I88 L125E86-P90 WeakPolarHBondContact O-CD 3.48Å; I88-P90 VanDerWaalsContact C-CD 3.42Å; I88-P90 VanDerWaalsContact C-N 3.34Å; P90-L125 WeakPolarHBondContact CA-O 3.41Å; P90-L125 HydrophobicContact CG-CD2 4.41Å
91S98.1Very high97.9Very high65 Ų6558.3 Ų58.346%0.45528%0.282SS..G310 helixtrans-91.34.1176.377.80000114.5I88 F89I88-S91 WeakPolarHBondContact O-CB 3.36Å; I88-S91 PolarHBondContact O-N 2.94Å; I88-S91 PolarHBondContact O-OG 2.81Å; F89-S91 PolarHBondContact O-N 3.05Å
92A98.4Very high98Very high3 Ų358.3 Ų58.33%0.02528%0.282CS..  trans-54.7142.2174.200000110.1L23 D24 T25 L28 F89 H130L23-A92 HydrophobicContact CB-CB 4.44Å; L23-A92 HydrophobicContact CD1-CB 4.45Å; L23-A92 HydrophobicContact CD2-CB 4.49Å; D24-A92 WeakPolarHBondContact OD1-CA 3.36Å; T25-A92 HydrophobicContact CG2-CB 4.14Å; L28-A92 HydrophobicContact CD1-CB 3.81Å; F89-A92 VanDerWaalsContact O-CB 3.29Å; F89-A92 WeakPolarHBondContact O-CB 3.45Å; F89-A92 PolarHBondContact O-N 3.29Å; A92-H130 PolarHBondContact O-NE2 3.3Å
93K98.5Very high98.1Very high137 Ų13755.5 Ų55.560%0.59628%0.277SS*.  trans-115.3149.2179.8-63.5-177.9179.7179.70109.3L23 D24L23-K93 CarbonylContact C-O 3.59Å; L23-K93 VanDerWaalsContact CA-O 3.3Å; L23-K93 WeakPolarHBondContact CA-O 3.39Å; D24-K93 PolarHBondContact N-O 3.47Å; D24-K93 PolarHBondContact OD1-N 3.12Å
94L98.6Very high98.2Very high43 Ų4350.6 Ų50.623%0.22525%0.254CS..BIsolated β-bridgetrans-62.3137.9167.7-63.8165.9000109.3L22 L23 V98 H130 I133L22-L94 VanDerWaalsContact O-CA 3.32Å; L22-L94 WeakPolarHBondContact O-CA 3.38Å; L23-L94 HydrophobicContact CD2-CD2 3.89Å; L23-L94 HydrophobicContact CD2-CG 4.46Å; L94-V98 HydrophobicContact CB-CB 4.43Å; L94-V98 HydrophobicContact CD2-CG1 3.85Å; L94-H130 HydrophobicContact CD2-CB 4.49Å; L94-I133 HydrophobicContact CD1-CG1 3.8Å; L94-I133 HydrophobicContact CD2-CG2 4.29Å
95L98.4Very high98.3Very high54 Ų5449.8 Ų49.828%0.28325%0.25SC..PPolyproline II helixtrans-72.7156.1172.4-77.5171.2000111.2G20 L21 L22 D24 G97 V98G20-L95 VanDerWaalsContact C-CD1 3.5Å; G20-L95 WeakPolarHBondContact O-CD1 3.44Å; L21-L95 VanDerWaalsContact O-CD1 3.27Å; L21-L95 WeakPolarHBondContact O-CD1 3.23Å; L22-L95 PolarHBondContact O-N 2.94Å; D24-L95 HydrophobicContact CB-CD2 3.88Å; D24-L95 HydrophobicContact CB-CG 4.3Å; L95-G97 PolarHBondContact O-N 3.31Å; L95-V98 HydrophobicContact CB-CG2 4.05Å; L95-V98 WeakPolarHBondContact O-CB 3.33Å; L95-V98 VanDerWaalsContact O-CG2 3.23Å; L95-V98 WeakPolarHBondContact O-CG2 3.36Å; L95-V98 PolarHBondContact O-N 3Å
96P98.4Very high98.3Very high72 Ų7251.4 Ų51.447%0.46826%0.256SS..THydrogen-bonded Turntrans-53.9135.7179.4-26.235.3000112.4V98 M217 E218P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 2.98Å; P96-M217 WeakPolarHBondContact O-CB 3.45Å; P96-E218 HydrophobicContact CB-CG 4.18Å; P96-E218 WeakPolarHBondContact CB-OE2 3.37Å
97G98.3Very high98.4Very high15 Ų1552.1 Ų52.116%0.15526%0.258CS..THydrogen-bonded Turntrans84.8-15.5179.100000115.9L95 K100 L101L95-G97 PolarHBondContact O-N 3.31Å; G97-K100 PolarHBondContact O-N 3.26Å; G97-L101 PolarHBondContact O-N 2.96Å
98V98.6Very high98.4Very high0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-58.8-53.7-178.2172.70000112.1L22 L94 L95 P96 K100 L101 V102 M217L22-V98 HydrophobicContact CB-CG1 4.45Å; L22-V98 HydrophobicContact CD2-CB 4.49Å; L22-V98 HydrophobicContact CD2-CG1 3.56Å; L22-V98 HydrophobicContact CD2-CG2 4.16Å; L94-V98 HydrophobicContact CB-CB 4.43Å; L94-V98 HydrophobicContact CD2-CG1 3.85Å; L95-V98 HydrophobicContact CB-CG2 4.05Å; L95-V98 WeakPolarHBondContact O-CB 3.33Å; L95-V98 VanDerWaalsContact O-CG2 3.23Å; L95-V98 WeakPolarHBondContact O-CG2 3.36Å; L95-V98 PolarHBondContact O-N 3Å; P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 2.98Å; V98-K100 VanDerWaalsContact C-N 3.3Å; V98-K100 PolarHBondContact O-N 2.86Å; V98-L101 PolarHBondContact O-N 3.22Å; V98-V102 HydrophobicContact CG1-CG2 4.24Å; V98-V102 WeakPolarHBondContact O-CB 3.37Å; V98-V102 WeakPolarHBondContact O-CG2 3.24Å; V98-V102 PolarHBondContact O-N 3.37Å; V98-M217 HydrophobicContact CB-SD 4.29Å; V98-M217 HydrophobicContact CG2-CE 3.98Å; V98-M217 HydrophobicContact CG2-SD 3.83Å
99E98.3Very high98.4Very high106 Ų10655 Ų5550%0.49528%0.277SS..Hα-helixtrans-60.9-41.3-179-177.3168.8-150.400111.7N103 I133E99-N103 VanDerWaalsContact CG-ND2 3.32Å; E99-N103 WeakPolarHBondContact CG-ND2 3.3Å; E99-N103 VanDerWaalsContact O-CB 3.31Å; E99-N103 WeakPolarHBondContact O-CB 3.23Å; E99-N103 PolarHBondContact O-N 2.71Å; E99-N103 VanDerWaalsContact O-N 3.09Å; E99-N103 PolarHBondContact O-ND2 2.95Å; E99-I133 HydrophobicContact CB-CD1 4.48Å; E99-I133 HydrophobicContact CG-CD1 3.9Å
100K98.5Very high98.4Very high110 Ų11055.9 Ų55.948%0.47828%0.282SS..Hα-helixtrans-60.9-51.2177179.4-175.4174-172.30111.1G97 V98 H104 F230G97-K100 PolarHBondContact O-N 3.26Å; V98-K100 VanDerWaalsContact C-N 3.3Å; V98-K100 PolarHBondContact O-N 2.86Å; K100-H104 WeakPolarHBondContact O-CB 3.34Å; K100-H104 PolarHBondContact O-N 2.86Å; K100-F230 HydrophobicContact CD-CE1 4.41Å; K100-F230 HydrophobicContact CD-CZ 4.45Å; K100-F230 HydrophobicContact CG-CD1 4.46Å; K100-F230 HydrophobicContact CG-CE1 4.08Å; K100-F230 HydrophobicContact CG-CZ 4.47Å
101L98.8Very high98.5Very high0 Ų055.3 Ų55.30%028%0.278CS..Hα-helixtrans-67.8-46.5-176-17956.7000111.6F16 G97 V98 N103 H104 L105 F177 M217 F220 F230F16-L101 HydrophobicContact CE1-CD2 3.83Å; F16-L101 HydrophobicContact CZ-CD2 3.94Å; F16-L101 HydrophobicContact CZ-CG 4.23Å; G97-L101 PolarHBondContact O-N 2.96Å; V98-L101 PolarHBondContact O-N 3.22Å; L101-N103 PolarHBondContact O-N 2.88Å; L101-H104 WeakPolarHBondContact O-CB 3.47Å; L101-H104 PolarHBondContact O-N 3.12Å; L101-L105 HydrophobicContact CD1-CD1 3.91Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 3.92Å; L101-L105 HydrophobicContact CG-CD1 3.93Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 VanDerWaalsContact O-CG 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.47Å; L101-F177 HydrophobicContact CD2-CE1 3.91Å; L101-F177 HydrophobicContact CD2-CE2 4.27Å; L101-F177 HydrophobicContact CD2-CZ 3.71Å; L101-M217 HydrophobicContact CB-CG 4.25Å; L101-M217 HydrophobicContact CB-SD 4Å; L101-M217 HydrophobicContact CD2-CG 3.64Å; L101-M217 HydrophobicContact CD2-SD 3.64Å; L101-M217 HydrophobicContact CG-SD 4.39Å; L101-F220 HydrophobicContact CD1-CD1 3.8Å; L101-F220 HydrophobicContact CD1-CE1 4Å; L101-F220 HydrophobicContact CD2-CD1 4.01Å; L101-F220 HydrophobicContact CD2-CE1 4.47Å; L101-F230 HydrophobicContact CD1-CE1 4.24Å; L101-F230 HydrophobicContact CD1-CZ 4Å
102V98.8Very high98.5Very high0 Ų052.2 Ų52.20%026%0.256CS..Hα-helixtrans-60.6-48.9180171.60000111V98 H104 L105 K106 I112 I133 L136 F137V98-V102 HydrophobicContact CG1-CG2 4.24Å; V98-V102 WeakPolarHBondContact O-CB 3.37Å; V98-V102 WeakPolarHBondContact O-CG2 3.24Å; V98-V102 PolarHBondContact O-N 3.37Å; V102-H104 VanDerWaalsContact C-N 3.32Å; V102-H104 PolarHBondContact O-N 3.19Å; V102-L105 PolarHBondContact O-N 2.97Å; V102-K106 WeakPolarHBondContact O-CG 3.24Å; V102-K106 PolarHBondContact O-N 3.1Å; V102-I112 HydrophobicContact CG1-CD1 3.8Å; V102-I133 HydrophobicContact CG1-CG2 4.3Å; V102-L136 HydrophobicContact CG1-CB 3.98Å; V102-L136 HydrophobicContact CG1-CD1 3.74Å; V102-F137 HydrophobicContact CG1-CE2 4.28Å; V102-F137 HydrophobicContact CG1-CZ 4.33Å; V102-F137 HydrophobicContact CG2-CE1 4.46Å; V102-F137 HydrophobicContact CG2-CE2 4.34Å; V102-F137 HydrophobicContact CG2-CZ 3.74Å
103N98.6Very high98.5Very high70 Ų7052 Ų5237%0.37426%0.255SS..Hα-helixtrans-63.3-38.9178-78.8-65.7000112.2E99 L101 K106 K107E99-N103 VanDerWaalsContact CG-ND2 3.32Å; E99-N103 WeakPolarHBondContact CG-ND2 3.3Å; E99-N103 VanDerWaalsContact O-CB 3.31Å; E99-N103 WeakPolarHBondContact O-CB 3.23Å; E99-N103 PolarHBondContact O-N 2.71Å; E99-N103 VanDerWaalsContact O-N 3.09Å; E99-N103 PolarHBondContact O-ND2 2.95Å; L101-N103 PolarHBondContact O-N 2.88Å; N103-K106 PolarHBondContact O-N 2.67Å; N103-K107 VanDerWaalsContact O-CB 3.28Å; N103-K107 WeakPolarHBondContact O-CB 3.29Å; N103-K107 PolarHBondContact O-N 3.19Å
104H98.8Very high98.5Very high12 Ų1245.5 Ų45.56%0.05623%0.227CC..Hα-helixtrans-60.3-49.7175.6179.567.2000111.8K100 L101 V102 K106 K107 H108 P228 A229 F230K100-H104 WeakPolarHBondContact O-CB 3.34Å; K100-H104 PolarHBondContact O-N 2.86Å; L101-H104 WeakPolarHBondContact O-CB 3.47Å; L101-H104 PolarHBondContact O-N 3.12Å; V102-H104 VanDerWaalsContact C-N 3.32Å; V102-H104 PolarHBondContact O-N 3.19Å; H104-K106 VanDerWaalsContact C-N 3.34Å; H104-K106 PolarHBondContact O-N 2.9Å; H104-K107 PolarHBondContact O-N 2.95Å; H104-H108 AromaticContact CE1-CD2 3.27Å; H104-H108 PolarHBondContact CE1-CD2 3.23Å; H104-H108 AromaticContact CE1-NE2 3.43Å; H104-H108 PolarHBondContact CE1-NE2 2.81Å; H104-H108 AromaticContact ND1-CD2 3.5Å; H104-H108 AromaticContact ND1-NE2 3.8Å; H104-H108 AromaticContact NE2-CD2 3.93Å; H104-H108 PolarHBondContact O-CD2 3.21Å; H104-H108 VanDerWaalsContact O-CD2 3.29Å; H104-H108 PolarHBondContact O-N 2.81Å; H104-H108 VanDerWaalsContact O-N 3.09Å; H104-P228 PolarHBondContact NE2-O 2.94Å; H104-A229 PolarHBondContact CE1-O 2.94Å; H104-F230 HydrophobicContact CB-CD1 3.9Å; H104-F230 HydrophobicContact CB-CE1 3.67Å; H104-F230 AromaticContact CD2-CD1 3.69Å; H104-F230 AromaticContact CD2-CE1 3.65Å; H104-F230 AromaticContact CG-CD1 3.47Å; H104-F230 VanDerWaalsContact CG-CD1 3.47Å; H104-F230 AromaticContact CG-CE1 3.59Å; H104-F230 AromaticContact ND1-CD1 3.72Å
105L98.6Very high98.5Very high1 Ų143.5 Ų43.51%0.00522%0.216CC..Hα-helixtrans-60.9-43.1179.1-66.8174000111.4V14 F16 L101 V102 H108 H109 I110 I112 L227V14-L105 HydrophobicContact CB-CD1 4.12Å; V14-L105 HydrophobicContact CG1-CD1 4.27Å; V14-L105 HydrophobicContact CG2-CD1 3.94Å; V14-L105 HydrophobicContact CG2-CD2 4.24Å; F16-L105 HydrophobicContact CE2-CD1 3.97Å; F16-L105 HydrophobicContact CZ-CD1 3.71Å; L101-L105 HydrophobicContact CD1-CD1 3.91Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 3.92Å; L101-L105 HydrophobicContact CG-CD1 3.93Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 VanDerWaalsContact O-CG 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.47Å; V102-L105 PolarHBondContact O-N 2.97Å; L105-H108 CarbonylContact O-C 3.46Å; L105-H108 PolarHBondContact O-N 3.05Å; L105-H109 PolarHBondContact O-N 3.48Å; L105-H109 VanDerWaalsContact O-N 3.16Å; L105-I110 HydrophobicContact CB-CB 4.14Å; L105-I110 HydrophobicContact CD2-CB 3.99Å; L105-I110 HydrophobicContact CD2-CG1 4.08Å; L105-I110 HydrophobicContact CD2-CG2 4.01Å; L105-I110 PolarHBondContact O-N 3.08Å; L105-I112 HydrophobicContact CB-CG2 3.8Å; L105-I112 HydrophobicContact CD1-CG2 3.69Å; L105-I112 HydrophobicContact CG-CG2 4.34Å; L105-L227 HydrophobicContact CD2-CD1 4.11Å
106K98.2Very high98.5Very high53 Ų5341 Ų4123%0.2320%0.203CC..Hα-helixtrans-65.8-43.7175.6-66-47.7-71-160.20113.6V102 N103 H104 H108 H109 I112 L136 D138V102-K106 WeakPolarHBondContact O-CG 3.24Å; V102-K106 PolarHBondContact O-N 3.1Å; N103-K106 PolarHBondContact O-N 2.67Å; H104-K106 VanDerWaalsContact C-N 3.34Å; H104-K106 PolarHBondContact O-N 2.9Å; K106-H108 PolarHBondContact O-N 3.15Å; K106-H109 PolarHBondContact O-N 3.48Å; K106-I112 HydrophobicContact CD-CD1 3.66Å; K106-I112 HydrophobicContact CD-CG1 3.84Å; K106-I112 HydrophobicContact CG-CD1 4.1Å; K106-L136 HydrophobicContact CD-CB 4.32Å; K106-L136 WeakPolarHBondContact CD-O 3.21Å; K106-L136 WeakPolarHBondContact CE-O 3.48Å; K106-L136 HydrophobicContact CG-CB 3.84Å; K106-L136 HydrophobicContact CG-CD1 4.44Å; K106-L136 HydrophobicContact CG-CD2 4.3Å; K106-L136 HydrophobicContact CG-CG 4.4Å; K106-L136 PolarHBondContact NZ-O 3.21Å; K106-D138 IonicContact NZ-OD1 2.66Å; K106-D138 PolarHBondContact NZ-OD1 3.3Å; K106-D138 IonicContact NZ-OD2 3.88Å; K106-D138 PolarHBondContact NZ-OD2 3.1Å
107K98.3Very high98.4Very high126 Ų12641.1 Ų41.155%0.54821%0.205SC..Hα-helixtrans-54.6-36.1175.6176.6-174.7173.7-172.60111.5N103 H104 H109 S231N103-K107 VanDerWaalsContact O-CB 3.28Å; N103-K107 WeakPolarHBondContact O-CB 3.29Å; N103-K107 PolarHBondContact O-N 3.19Å; H104-K107 PolarHBondContact O-N 2.95Å; K107-H109 PolarHBondContact O-ND1 2.81Å; K107-S231 PolarHBondContact NZ-OG 2.66Å
108H98.4Very high98.2Very high65 Ų6540.8 Ų40.830%0.30120%0.201SC..THydrogen-bonded Turntrans-93.310.8179.3-75-82.6000114.4H104 L105 K106 I110 P228H104-H108 AromaticContact CE1-CD2 3.27Å; H104-H108 PolarHBondContact CE1-CD2 3.23Å; H104-H108 AromaticContact CE1-NE2 3.43Å; H104-H108 PolarHBondContact CE1-NE2 2.81Å; H104-H108 AromaticContact ND1-CD2 3.5Å; H104-H108 AromaticContact ND1-NE2 3.8Å; H104-H108 AromaticContact NE2-CD2 3.93Å; H104-H108 PolarHBondContact O-CD2 3.21Å; H104-H108 VanDerWaalsContact O-CD2 3.29Å; H104-H108 PolarHBondContact O-N 2.81Å; H104-H108 VanDerWaalsContact O-N 3.09Å; L105-H108 CarbonylContact O-C 3.46Å; L105-H108 PolarHBondContact O-N 3.05Å; K106-H108 PolarHBondContact O-N 3.15Å; H108-I110 HydrophobicContact CB-CG1 4.2Å; H108-I110 PolarHBondContact O-N 3.09Å; H108-P228 HydrophobicContact CB-CB 4.38Å; H108-P228 HydrophobicContact CB-CG 3.96Å; H108-P228 WeakPolarHBondContact ND1-CB 3.45Å
109H98Very high98Very high168 Ų16842.6 Ų42.678%0.77822%0.216SC*.THydrogen-bonded Turntrans56.231.1178.6-51.782.7000113.7L105 K106 K107 P111L105-H109 PolarHBondContact O-N 3.48Å; L105-H109 VanDerWaalsContact O-N 3.16Å; K106-H109 PolarHBondContact O-N 3.48Å; K107-H109 PolarHBondContact O-ND1 2.81Å; H109-P111 WeakPolarHBondContact O-CD 3.33Å
110I98.6Very high97.9Very high23 Ų2338.2 Ų38.212%0.11820%0.199CC..  trans-80.2121.1171.5-53.8-57000107.8V14 L105 H108 I112 L227V14-I110 HydrophobicContact CG2-CG2 4.1Å; L105-I110 HydrophobicContact CB-CB 4.14Å; L105-I110 HydrophobicContact CD2-CB 3.99Å; L105-I110 HydrophobicContact CD2-CG1 4.08Å; L105-I110 HydrophobicContact CD2-CG2 4.01Å; L105-I110 PolarHBondContact O-N 3.08Å; H108-I110 HydrophobicContact CB-CG1 4.2Å; H108-I110 PolarHBondContact O-N 3.09Å; I110-I112 PolarHBondContact O-N 3.14Å; I110-L227 HydrophobicContact CD1-CD2 4.03Å; I110-L227 HydrophobicContact CG1-CD2 4.24Å; I110-L227 HydrophobicContact CG2-CD2 4.1Å
111P98.8Very high97.8Very high38 Ų3838 Ų3825%0.24721%0.207CC..  trans-65.3133.1177.3-20.933.4000111.1S12 V14 H109 D138 F165S12-P111 WeakPolarHBondContact O-CD 3.19Å; V14-P111 PolarHBondContact N-O 2.99Å; V14-P111 VanDerWaalsContact N-O 3.08Å; H109-P111 WeakPolarHBondContact O-CD 3.33Å; P111-D138 WeakPolarHBondContact CA-OD2 3.49Å; P111-F165 HydrophobicContact CB-CD1 3.76Å; P111-F165 HydrophobicContact CB-CE1 3.75Å
112I98.8Very high97.6Very high0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-131143.8-17966.4177000111.9V14 F16 V102 L105 K106 I110 F137 D138V14-I112 HydrophobicContact CB-CG2 4.05Å; V14-I112 CarbonylContact O-C 3.18Å; V14-I112 WeakPolarHBondContact O-CA 3.4Å; F16-I112 HydrophobicContact CE2-CB 4.21Å; F16-I112 HydrophobicContact CE2-CG2 4.17Å; V102-I112 HydrophobicContact CG1-CD1 3.8Å; L105-I112 HydrophobicContact CB-CG2 3.8Å; L105-I112 HydrophobicContact CD1-CG2 3.69Å; L105-I112 HydrophobicContact CG-CG2 4.34Å; K106-I112 HydrophobicContact CD-CD1 3.66Å; K106-I112 HydrophobicContact CD-CG1 3.84Å; K106-I112 HydrophobicContact CG-CD1 4.1Å; I110-I112 PolarHBondContact O-N 3.14Å; I112-F137 HydrophobicContact CB-CD1 4.12Å; I112-F137 HydrophobicContact CB-CE1 4.43Å; I112-F137 HydrophobicContact CD1-CD1 3.76Å; I112-F137 HydrophobicContact CD1-CE1 3.85Å; I112-F137 HydrophobicContact CD1-CG 4.24Å; I112-F137 HydrophobicContact CD1-CZ 4.4Å; I112-F137 HydrophobicContact CG1-CD1 3.66Å; I112-F137 HydrophobicContact CG1-CE1 4.16Å; I112-F137 HydrophobicContact CG1-CG 4.23Å; I112-D138 PolarHBondContact N-OD2 2.8Å; I112-D138 WeakPolarHBondContact O-CB 3.23Å; I112-D138 PolarHBondContact O-N 3.19Å
113A98.9Very high97.6Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-135.1160.5176.800000112V14 I15 F16 R139 C161 F165V14-A113 PolarHBondContact O-N 2.97Å; I15-A113 CarbonylContact C-O 3.53Å; I15-A113 WeakPolarHBondContact CA-O 3.39Å; F16-A113 PolarHBondContact N-O 3.44Å; A113-R139 CarbonylContact C-O 3.28Å; A113-R139 WeakPolarHBondContact CA-O 3.33Å; A113-R139 HydrophobicContact CB-CB 4Å; A113-R139 WeakPolarHBondContact CB-O 3.01Å; A113-C161 HydrophobicContact CB-CB 4.23Å; A113-F165 HydrophobicContact CB-CE1 3.82Å; A113-F165 HydrophobicContact CB-CE2 4.27Å; A113-F165 HydrophobicContact CB-CZ 3.47Å; A113-F165 VanDerWaalsContact CB-CZ 3.47Å
114V98.9Very high97.6Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-107.3134.3168.4179.90000109.4F16 M18 L22 T116 F134 F137 R139 I140 V141 C161F16-V114 CarbonylContact O-C 3.49Å; F16-V114 VanDerWaalsContact O-CA 3.31Å; F16-V114 WeakPolarHBondContact O-CA 3.46Å; M18-V114 HydrophobicContact CB-CG1 3.98Å; L22-V114 HydrophobicContact CD1-CG2 3.97Å; V114-T116 HydrophobicContact CG1-CG2 4.49Å; V114-F134 HydrophobicContact CG2-CD1 4.37Å; V114-F134 HydrophobicContact CG2-CE1 4.21Å; V114-F137 HydrophobicContact CG2-CB 4.34Å; V114-F137 HydrophobicContact CG2-CD1 3.46Å; V114-F137 VanDerWaalsContact CG2-CD1 3.46Å; V114-F137 HydrophobicContact CG2-CD2 3.96Å; V114-F137 HydrophobicContact CG2-CE1 3.55Å; V114-F137 HydrophobicContact CG2-CE2 4.05Å; V114-F137 HydrophobicContact CG2-CG 3.65Å; V114-F137 HydrophobicContact CG2-CZ 3.84Å; V114-R139 PolarHBondContact N-O 2.89Å; V114-I140 HydrophobicContact CB-CB 4.48Å; V114-I140 HydrophobicContact CB-CG1 4.24Å; V114-I140 HydrophobicContact CB-CG2 4.21Å; V114-I140 HydrophobicContact CG1-CG2 4.48Å; V114-I140 HydrophobicContact CG2-CG1 4.38Å; V114-I140 WeakPolarHBondContact O-CA 3.4Å; V114-V141 PolarHBondContact O-N 3.13Å; V114-C161 PolarHBondContact O-SG 2.83Å
115A98.6Very high97.6Very high0 Ų046.7 Ų46.70%025%0.247CC..EExtended strand (participates in β ladder)trans-121.898.8169.800000109.2I15 F16 K152 F158I15-A115 HydrophobicContact CG2-CB 3.8Å; F16-A115 PolarHBondContact O-N 3.36Å; A115-K152 PolarHBondContact O-NZ 3.1Å; A115-F158 HydrophobicContact CB-CD1 3.68Å; A115-F158 HydrophobicContact CB-CE1 3.75Å
116T97.9Very high97.6Very high2 Ų246.7 Ų46.71%0.01225%0.247CC..  trans-113.2149.4-177.6-179.50000112M18 D19 V114 S118 F123 V141 L142 G143M18-T116 HydrophobicContact CE-CG2 4.49Å; D19-T116 PolarHBondContact OD2-OG1 2.77Å; V114-T116 HydrophobicContact CG1-CG2 4.49Å; T116-S118 VanDerWaalsContact C-N 3.26Å; T116-S118 WeakPolarHBondContact OG1-CB 3.31Å; T116-S118 PolarHBondContact OG1-N 3.43Å; T116-F123 HydrophobicContact CG2-CD2 4.15Å; T116-V141 PolarHBondContact N-O 3.5Å; T116-L142 HydrophobicContact CG2-CD2 3.72Å; T116-L142 CarbonylContact O-C 3.58Å; T116-L142 VanDerWaalsContact O-C 3.28Å; T116-G143 WeakPolarHBondContact O-CA 3.32Å; T116-G143 PolarHBondContact O-N 2.65Å
117S95Very high97.6Very high74 Ų7444.6 Ų44.652%0.51724%0.239SC..SBendtrans-82.4-3.1168-61.90000113.1
118S95.1Very high97.6Very high8 Ų841.4 Ų41.46%0.05623%0.232CC..  trans-71.2132.3174.4-77.10000111.5D19 T116 K126 G143D19-S118 PolarHBondContact OD2-OG 3.27Å; T116-S118 VanDerWaalsContact C-N 3.26Å; T116-S118 WeakPolarHBondContact OG1-CB 3.31Å; T116-S118 PolarHBondContact OG1-N 3.43Å; S118-K126 PolarHBondContact OG-NZ 3.3Å; S118-G143 PolarHBondContact O-N 2.9Å
119A94.9Very high97.5Very high39 Ų3941.2 Ų41.232%0.32224%0.242SC..  trans-71.4162.616900000111.5V121 T122 F123 D144A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 3.42Å; A119-T122 PolarHBondContact O-N 3.49Å; A119-T122 VanDerWaalsContact O-N 3.1Å; A119-F123 WeakPolarHBondContact O-CB 3.42Å; A119-F123 PolarHBondContact O-N 2.92Å; A119-D144 HydrophobicContact CB-CB 4.07Å; A119-D144 WeakPolarHBondContact CB-OD2 3.39Å
120G96.6Very high97.5Very high14 Ų1434.4 Ų34.414%0.14421%0.21CC..Hα-helixtrans-57.3-36.6-17000000115.9K124 D144G120-K124 VanDerWaalsContact O-CG 3.28Å; G120-K124 WeakPolarHBondContact O-CG 3.41Å; G120-K124 PolarHBondContact O-N 3.3Å; G120-K124 VanDerWaalsContact O-N 3.12Å; G120-D144 PolarHBondContact N-OD1 3.01Å; G120-D144 PolarHBondContact N-OD2 3.41Å
121V95Very high97.5Very high105 Ų10537.9 Ų37.964%0.63623%0.233SC*.Hα-helixtrans-65.8-49.1177.1178.50000110.6A119 K124 L125A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 3.42Å; V121-K124 PolarHBondContact O-N 3.26Å; V121-L125 HydrophobicContact CG1-CD1 4.49Å; V121-L125 PolarHBondContact O-N 3.41Å
122T95.9Very high97.5Very high42 Ų4240.6 Ų40.626%0.25825%0.245SC..Hα-helixtrans-65.4-41.4-180-54.50000111.8F89 A119 K124 L125 K126F89-T122 HydrophobicContact CD2-CG2 4.12Å; F89-T122 HydrophobicContact CE2-CG2 3.73Å; A119-T122 PolarHBondContact O-N 3.49Å; A119-T122 VanDerWaalsContact O-N 3.1Å; T122-K124 PolarHBondContact O-N 2.93Å; T122-L125 PolarHBondContact O-N 3.1Å; T122-K126 HydrophobicContact CG2-CD 3.89Å; T122-K126 VanDerWaalsContact CG2-CE 3.41Å; T122-K126 HydrophobicContact CG2-CG 4.45Å; T122-K126 WeakPolarHBondContact O-CG 3.48Å; T122-K126 PolarHBondContact O-N 2.99Å; T122-K126 VanDerWaalsContact O-N 3.08Å
123F98.3Very high97.4Very high24 Ų2440.8 Ų40.811%0.10525%0.246CC..Hα-helixtrans-56.5-48.3174.7172.1-93.3000111.4M18 T116 A119 L125 K126 T127 F134 I140 L142M18-F123 HydrophobicContact CE-CD2 4.04Å; M18-F123 HydrophobicContact SD-CD2 3.49Å; M18-F123 WeakPolarHBondContact SD-CD2 3.41Å; M18-F123 HydrophobicContact SD-CE2 3.6Å; T116-F123 HydrophobicContact CG2-CD2 4.15Å; A119-F123 WeakPolarHBondContact O-CB 3.42Å; A119-F123 PolarHBondContact O-N 2.92Å; F123-L125 VanDerWaalsContact C-N 3.32Å; F123-L125 PolarHBondContact O-N 2.74Å; F123-K126 PolarHBondContact O-N 3.33Å; F123-T127 HydrophobicContact CD2-CG2 3.95Å; F123-T127 HydrophobicContact CE1-CG2 4.2Å; F123-T127 HydrophobicContact CE2-CG2 3.52Å; F123-T127 HydrophobicContact CG-CG2 4.44Å; F123-T127 HydrophobicContact CZ-CG2 3.63Å; F123-T127 WeakPolarHBondContact O-CB 3.32Å; F123-T127 WeakPolarHBondContact O-CG2 3.35Å; F123-T127 PolarHBondContact O-N 3.23Å; F123-T127 PolarHBondContact O-OG1 3.2Å; F123-F134 HydrophobicContact CE2-CD1 4.03Å; F123-F134 HydrophobicContact CE2-CE1 4Å; F123-F134 AromaticContact CZ-CD1 3.93Å; F123-F134 HydrophobicContact CZ-CD1 3.93Å; F123-F134 HydrophobicContact CZ-CE1 4.37Å; F123-I140 HydrophobicContact CD2-CG2 4.41Å; F123-I140 HydrophobicContact CE1-CD1 4.4Å; F123-I140 HydrophobicContact CE1-CG2 4.46Å; F123-I140 HydrophobicContact CE2-CD1 4.33Å; F123-I140 HydrophobicContact CE2-CG2 3.77Å; F123-I140 HydrophobicContact CZ-CD1 3.63Å; F123-I140 HydrophobicContact CZ-CG2 3.83Å; F123-L142 HydrophobicContact CB-CD2 3.8Å; F123-L142 HydrophobicContact CD1-CD2 4.02Å; F123-L142 HydrophobicContact CD2-CD2 3.66Å; F123-L142 HydrophobicContact CE2-CD2 4.29Å; F123-L142 HydrophobicContact CG-CD2 3.52Å
124K98.2Very high97.4Very high150 Ų15041.4 Ų41.465%0.65225%0.249SC*.Hα-helixtrans-60.3-40.2179.3-75.3174-178-179.50112.7G120 V121 T122 S128G120-K124 VanDerWaalsContact O-CG 3.28Å; G120-K124 WeakPolarHBondContact O-CG 3.41Å; G120-K124 PolarHBondContact O-N 3.3Å; G120-K124 VanDerWaalsContact O-N 3.12Å; V121-K124 PolarHBondContact O-N 3.26Å; T122-K124 PolarHBondContact O-N 2.93Å; K124-S128 WeakPolarHBondContact O-CB 3.44Å; K124-S128 PolarHBondContact O-N 2.88Å; K124-S128 VanDerWaalsContact O-N 3.1Å
125L98.1Very high97.4Very high48 Ų4845.2 Ų45.225%0.25128%0.281SS..Hα-helixtrans-63.3-51.5177.6-68.8167.7000111.1E86 F89 P90 V121 T122 F123 T127 S128E86-L125 HydrophobicContact CB-CD1 4.4Å; E86-L125 HydrophobicContact CG-CD1 3.95Å; F89-L125 HydrophobicContact CB-CB 4.01Å; P90-L125 WeakPolarHBondContact CA-O 3.41Å; P90-L125 HydrophobicContact CG-CD2 4.41Å; V121-L125 HydrophobicContact CG1-CD1 4.49Å; V121-L125 PolarHBondContact O-N 3.41Å; T122-L125 PolarHBondContact O-N 3.1Å; F123-L125 VanDerWaalsContact C-N 3.32Å; F123-L125 PolarHBondContact O-N 2.74Å; L125-T127 VanDerWaalsContact C-N 3.28Å; L125-T127 PolarHBondContact O-N 3.37Å; L125-S128 PolarHBondContact O-N 3.46Å; L125-S128 PolarHBondContact O-OG 3.1Å
126K98.4Very high97.4Very high1 Ų147.5 Ų47.50%0.00429%0.293CS..Hα-helixtrans-61.8-33.4-178.6-69.7171.2173.3179.30113.1M18 D19 L23 T25 Y29 F89 S118 T122 F123M18-K126 HydrophobicContact CE-CB 4.36Å; M18-K126 HydrophobicContact CE-CD 3.71Å; D19-K126 WeakPolarHBondContact OD1-CD 3.41Å; D19-K126 VanDerWaalsContact OD1-CE 3.24Å; D19-K126 WeakPolarHBondContact OD1-CE 3.28Å; D19-K126 IonicContact OD1-NZ 3.94Å; D19-K126 PolarHBondContact OD1-NZ 3.24Å; D19-K126 IonicContact OD2-NZ 3.66Å; D19-K126 PolarHBondContact OD2-NZ 3.08Å; D19-K126 VanDerWaalsContact OD2-NZ 3.12Å; L23-K126 HydrophobicContact CD1-CB 3.96Å; L23-K126 WeakPolarHBondContact CD1-O 3.2Å; T25-K126 HydrophobicContact CG2-CB 4.44Å; T25-K126 HydrophobicContact CG2-CD 3.89Å; T25-K126 HydrophobicContact CG2-CG 3.96Å; Y29-K126 PolarHBondContact OH-NZ 3.32Å; F89-K126 HydrophobicContact CB-CG 3.96Å; F89-K126 HydrophobicContact CD1-CG 4.05Å; F89-K126 HydrophobicContact CD2-CG 4.06Å; F89-K126 HydrophobicContact CG-CG 3.78Å; S118-K126 PolarHBondContact OG-NZ 3.3Å; T122-K126 HydrophobicContact CG2-CD 3.89Å; T122-K126 VanDerWaalsContact CG2-CE 3.41Å; T122-K126 HydrophobicContact CG2-CG 4.45Å; T122-K126 WeakPolarHBondContact O-CG 3.48Å; T122-K126 PolarHBondContact O-N 2.99Å; T122-K126 VanDerWaalsContact O-N 3.08Å; F123-K126 PolarHBondContact O-N 3.33Å
127T98.5Very high97.4Very high10 Ų1048.2 Ų48.26%0.06130%0.295CS..Hα-helixtrans-98.5-3.1-174.759.30000114.4M18 L23 F123 L125 A129 H130 T131 F134M18-T127 HydrophobicContact SD-CG2 3.81Å; L23-T127 HydrophobicContact CD1-CG2 4.27Å; F123-T127 HydrophobicContact CD2-CG2 3.95Å; F123-T127 HydrophobicContact CE1-CG2 4.2Å; F123-T127 HydrophobicContact CE2-CG2 3.52Å; F123-T127 HydrophobicContact CG-CG2 4.44Å; F123-T127 HydrophobicContact CZ-CG2 3.63Å; F123-T127 WeakPolarHBondContact O-CB 3.32Å; F123-T127 WeakPolarHBondContact O-CG2 3.35Å; F123-T127 PolarHBondContact O-N 3.23Å; F123-T127 PolarHBondContact O-OG1 3.2Å; L125-T127 VanDerWaalsContact C-N 3.28Å; L125-T127 PolarHBondContact O-N 3.37Å; T127-A129 PolarHBondContact O-N 3.33Å; T127-A129 VanDerWaalsContact O-N 3.13Å; T127-H130 CarbonylContact O-C 3.52Å; T127-H130 PolarHBondContact O-N 3.03Å; T127-T131 PolarHBondContact O-N 2.85Å; T127-F134 HydrophobicContact CG2-CD1 3.9Å; T127-F134 HydrophobicContact CG2-CD2 3.69Å; T127-F134 HydrophobicContact CG2-CE1 3.69Å; T127-F134 HydrophobicContact CG2-CE2 3.49Å; T127-F134 VanDerWaalsContact CG2-CE2 3.49Å; T127-F134 HydrophobicContact CG2-CG 3.9Å; T127-F134 HydrophobicContact CG2-CZ 3.48Å; T127-F134 VanDerWaalsContact CG2-CZ 3.48Å
128S98Very high97.6Very high59 Ų5948.1 Ų48.141%0.41329%0.289SS..THydrogen-bonded Turntrans-56.2-33.3-172.957.20000114.6K124 L125K124-S128 WeakPolarHBondContact O-CB 3.44Å; K124-S128 PolarHBondContact O-N 2.88Å; K124-S128 VanDerWaalsContact O-N 3.1Å; L125-S128 PolarHBondContact O-N 3.46Å; L125-S128 PolarHBondContact O-OG 3.1Å
129A97.8Very high97.6Very high61 Ų6153.6 Ų53.650%0.50431%0.309SS..THydrogen-bonded Turntrans-85.2-8.5177.300000114.3T127T127-A129 PolarHBondContact O-N 3.33Å; T127-A129 VanDerWaalsContact O-N 3.13Å
130H98.3Very high97.8Very high24 Ų2454.3 Ų54.311%0.11131%0.307CS..  trans-125.225.7-168.4-55.1-61000112.7A92 L94 T127 N132 I133 F134A92-H130 PolarHBondContact O-NE2 3.3Å; L94-H130 HydrophobicContact CD2-CB 4.49Å; T127-H130 CarbonylContact O-C 3.52Å; T127-H130 PolarHBondContact O-N 3.03Å; H130-N132 PolarHBondContact O-N 3.15Å; H130-N132 VanDerWaalsContact O-N 3.14Å; H130-I133 PolarHBondContact O-N 3.12Å; H130-F134 HydrophobicContact CB-CD2 3.82Å; H130-F134 HydrophobicContact CB-CE2 3.98Å; H130-F134 WeakPolarHBondContact O-CD2 3.4Å; H130-F134 PolarHBondContact O-N 3.28Å
131T97.6Very high97.9Very high96 Ų9653.7 Ų53.759%0.58930%0.3SS*.Hα-helixtrans-56.3-32.6-176.653.90000112.8T127 A135T127-T131 PolarHBondContact O-N 2.85Å; T131-A135 WeakPolarHBondContact O-CB 3.33Å; T131-A135 PolarHBondContact O-N 3Å
132N97.9Very high98Very high95 Ų9550.5 Ų50.551%0.50828%0.279SS..Hα-helixtrans-61.9-43.2174.362.9-44.8000112.7H130H130-N132 PolarHBondContact O-N 3.15Å; H130-N132 VanDerWaalsContact O-N 3.14Å
133I98.4Very high98Very high4 Ų450.1 Ų50.12%0.02128%0.284CS..Hα-helixtrans-75.3-44178.4-62.8-57.6000110.6L94 E99 V102 H130 A135 L136 F137L94-I133 HydrophobicContact CD1-CG1 3.8Å; L94-I133 HydrophobicContact CD2-CG2 4.29Å; E99-I133 HydrophobicContact CB-CD1 4.48Å; E99-I133 HydrophobicContact CG-CD1 3.9Å; V102-I133 HydrophobicContact CG1-CG2 4.3Å; H130-I133 PolarHBondContact O-N 3.12Å; I133-A135 VanDerWaalsContact C-N 3.27Å; I133-A135 PolarHBondContact O-N 2.94Å; I133-L136 HydrophobicContact CD1-CD1 4.42Å; I133-L136 VanDerWaalsContact O-CB 3.25Å; I133-L136 WeakPolarHBondContact O-CB 3.27Å; I133-L136 PolarHBondContact O-N 2.7Å; I133-L136 VanDerWaalsContact O-N 3.09Å; I133-F137 HydrophobicContact CG2-CE2 4.36Å
134F98.5Very high97.9Very high13 Ų1353.5 Ų53.56%0.05730%0.303CS..Hα-helixtrans-69.1-25.1-179.3-79.4-87.8000113.2M18 L22 L23 V114 F123 T127 H130 L136 F137 I140M18-F134 HydrophobicContact CG-CE1 4.09Å; M18-F134 HydrophobicContact CG-CZ 3.94Å; M18-F134 HydrophobicContact SD-CE1 3.95Å; M18-F134 HydrophobicContact SD-CZ 4Å; L22-F134 HydrophobicContact CD1-CE1 4.21Å; L22-F134 HydrophobicContact CD1-CZ 4.32Å; L23-F134 HydrophobicContact CD1-CE2 4.21Å; L23-F134 HydrophobicContact CD1-CZ 4.05Å; L23-F134 HydrophobicContact CD2-CE2 4.35Å; L23-F134 HydrophobicContact CG-CE2 4.41Å; L23-F134 HydrophobicContact CG-CZ 4.25Å; V114-F134 HydrophobicContact CG2-CD1 4.37Å; V114-F134 HydrophobicContact CG2-CE1 4.21Å; F123-F134 HydrophobicContact CE2-CD1 4.03Å; F123-F134 HydrophobicContact CE2-CE1 4Å; F123-F134 AromaticContact CZ-CD1 3.93Å; F123-F134 HydrophobicContact CZ-CD1 3.93Å; F123-F134 HydrophobicContact CZ-CE1 4.37Å; T127-F134 HydrophobicContact CG2-CD1 3.9Å; T127-F134 HydrophobicContact CG2-CD2 3.69Å; T127-F134 HydrophobicContact CG2-CE1 3.69Å; T127-F134 HydrophobicContact CG2-CE2 3.49Å; T127-F134 VanDerWaalsContact CG2-CE2 3.49Å; T127-F134 HydrophobicContact CG2-CG 3.9Å; T127-F134 HydrophobicContact CG2-CZ 3.48Å; T127-F134 VanDerWaalsContact CG2-CZ 3.48Å; H130-F134 HydrophobicContact CB-CD2 3.82Å; H130-F134 HydrophobicContact CB-CE2 3.98Å; H130-F134 WeakPolarHBondContact O-CD2 3.4Å; H130-F134 PolarHBondContact O-N 3.28Å; F134-L136 PolarHBondContact O-N 3Å; F134-F137 HydrophobicContact CD1-CD2 4.4Å; F134-F137 HydrophobicContact CD1-CE2 4.37Å; F134-F137 PolarHBondContact O-N 2.59Å; F134-I140 HydrophobicContact CB-CD1 4.48Å; F134-I140 HydrophobicContact CD1-CD1 4.16Å
135A98.3Very high97.9Very high81 Ų8147.5 Ų47.567%0.66928%0.277SS*.THydrogen-bonded Turntrans-66.9-14.8171.900000113.9T131 I133T131-A135 WeakPolarHBondContact O-CB 3.33Å; T131-A135 PolarHBondContact O-N 3Å; I133-A135 VanDerWaalsContact C-N 3.27Å; I133-A135 PolarHBondContact O-N 2.94Å
136L98.5Very high97.8Very high48 Ų4849.7 Ų49.725%0.25130%0.295SS..THydrogen-bonded Turntrans-77.9-20.7176.4-64.8178.5000112.6V102 K106 I133 F134V102-L136 HydrophobicContact CG1-CB 3.98Å; V102-L136 HydrophobicContact CG1-CD1 3.74Å; K106-L136 HydrophobicContact CD-CB 4.32Å; K106-L136 WeakPolarHBondContact CD-O 3.21Å; K106-L136 WeakPolarHBondContact CE-O 3.48Å; K106-L136 HydrophobicContact CG-CB 3.84Å; K106-L136 HydrophobicContact CG-CD1 4.44Å; K106-L136 HydrophobicContact CG-CD2 4.3Å; K106-L136 HydrophobicContact CG-CG 4.4Å; K106-L136 PolarHBondContact NZ-O 3.21Å; I133-L136 HydrophobicContact CD1-CD1 4.42Å; I133-L136 VanDerWaalsContact O-CB 3.25Å; I133-L136 WeakPolarHBondContact O-CB 3.27Å; I133-L136 PolarHBondContact O-N 2.7Å; I133-L136 VanDerWaalsContact O-N 3.09Å; F134-L136 PolarHBondContact O-N 3Å
137F98.6Very high97.8Very high16 Ų1653.9 Ų53.97%0.0732%0.317CS..  trans-76.5135.1-178.4-66.2-94.8000111.5F16 L22 V102 I112 V114 I133 F134 R139 I140F16-F137 HydrophobicContact CB-CE1 4.45Å; F16-F137 AromaticContact CD2-CE1 3.65Å; F16-F137 HydrophobicContact CD2-CE1 3.65Å; F16-F137 HydrophobicContact CD2-CZ 4.48Å; F16-F137 HydrophobicContact CE2-CE1 4.21Å; F16-F137 HydrophobicContact CG-CE1 4.26Å; L22-F137 HydrophobicContact CD1-CE1 4.44Å; L22-F137 HydrophobicContact CD1-CZ 3.85Å; L22-F137 HydrophobicContact CD2-CZ 4.37Å; V102-F137 HydrophobicContact CG1-CE2 4.28Å; V102-F137 HydrophobicContact CG1-CZ 4.33Å; V102-F137 HydrophobicContact CG2-CE1 4.46Å; V102-F137 HydrophobicContact CG2-CE2 4.34Å; V102-F137 HydrophobicContact CG2-CZ 3.74Å; I112-F137 HydrophobicContact CB-CD1 4.12Å; I112-F137 HydrophobicContact CB-CE1 4.43Å; I112-F137 HydrophobicContact CD1-CD1 3.76Å; I112-F137 HydrophobicContact CD1-CE1 3.85Å; I112-F137 HydrophobicContact CD1-CG 4.24Å; I112-F137 HydrophobicContact CD1-CZ 4.4Å; I112-F137 HydrophobicContact CG1-CD1 3.66Å; I112-F137 HydrophobicContact CG1-CE1 4.16Å; I112-F137 HydrophobicContact CG1-CG 4.23Å; V114-F137 HydrophobicContact CG2-CB 4.34Å; V114-F137 HydrophobicContact CG2-CD1 3.46Å; V114-F137 VanDerWaalsContact CG2-CD1 3.46Å; V114-F137 HydrophobicContact CG2-CD2 3.96Å; V114-F137 HydrophobicContact CG2-CE1 3.55Å; V114-F137 HydrophobicContact CG2-CE2 4.05Å; V114-F137 HydrophobicContact CG2-CG 3.65Å; V114-F137 HydrophobicContact CG2-CZ 3.84Å; I133-F137 HydrophobicContact CG2-CE2 4.36Å; F134-F137 HydrophobicContact CD1-CD2 4.4Å; F134-F137 HydrophobicContact CD1-CE2 4.37Å; F134-F137 PolarHBondContact O-N 2.59Å; F137-R139 VanDerWaalsContact C-N 3.26Å; F137-R139 PolarHBondContact O-N 3.34Å; F137-I140 HydrophobicContact CB-CG1 4.26Å
138D97.8Very high97.8Very high73 Ų7354.3 Ų54.339%0.3932%0.32SS..SBendtrans-69.3-31.2180-57.2-72.1000111K106 P111 I112 F165K106-D138 IonicContact NZ-OD1 2.66Å; K106-D138 PolarHBondContact NZ-OD1 3.3Å; K106-D138 IonicContact NZ-OD2 3.88Å; K106-D138 PolarHBondContact NZ-OD2 3.1Å; P111-D138 WeakPolarHBondContact CA-OD2 3.49Å; I112-D138 PolarHBondContact N-OD2 2.8Å; I112-D138 WeakPolarHBondContact O-CB 3.23Å; I112-D138 PolarHBondContact O-N 3.19Å; D138-F165 HydrophobicContact CB-CE1 4.49Å
139R96.5Very high97.7Very high123 Ų12358.7 Ų58.746%0.46433%0.332SS..EExtended strand (participates in β ladder)trans-145.5148.6178.2-62.7-63.2177.5-155.50.2112A113 V114 F137 R164A113-R139 CarbonylContact C-O 3.28Å; A113-R139 WeakPolarHBondContact CA-O 3.33Å; A113-R139 HydrophobicContact CB-CB 4Å; A113-R139 WeakPolarHBondContact CB-O 3.01Å; V114-R139 PolarHBondContact N-O 2.89Å; F137-R139 VanDerWaalsContact C-N 3.26Å; F137-R139 PolarHBondContact O-N 3.34Å; R139-R164 HydrophobicContact CG-CB 4.09Å; R139-R164 WeakPolarHBondContact CG-O 3.45Å; R139-R164 PolarHBondContact NE-O 2.87Å
140I98.4Very high97.6Very high54 Ų5460 Ų6028%0.27733%0.33SS..EExtended strand (participates in β ladder)trans-131.4118.3170.7-57.8-176.9000106.8V114 F123 F134 F137 L142V114-I140 HydrophobicContact CB-CB 4.48Å; V114-I140 HydrophobicContact CB-CG1 4.24Å; V114-I140 HydrophobicContact CB-CG2 4.21Å; V114-I140 HydrophobicContact CG1-CG2 4.48Å; V114-I140 HydrophobicContact CG2-CG1 4.38Å; V114-I140 WeakPolarHBondContact O-CA 3.4Å; F123-I140 HydrophobicContact CD2-CG2 4.41Å; F123-I140 HydrophobicContact CE1-CD1 4.4Å; F123-I140 HydrophobicContact CE1-CG2 4.46Å; F123-I140 HydrophobicContact CE2-CD1 4.33Å; F123-I140 HydrophobicContact CE2-CG2 3.77Å; F123-I140 HydrophobicContact CZ-CD1 3.63Å; F123-I140 HydrophobicContact CZ-CG2 3.83Å; F134-I140 HydrophobicContact CB-CD1 4.48Å; F134-I140 HydrophobicContact CD1-CD1 4.16Å; F137-I140 HydrophobicContact CB-CG1 4.26Å; I140-L142 HydrophobicContact CG2-CD2 3.7Å; I140-L142 HydrophobicContact CG2-CG 4.41Å
141V98.5Very high97.4Very high0 Ų061.1 Ų61.10%035%0.348CS..EExtended strand (participates in β ladder)trans-105.7123174.9178.40000107.5V114 T116 D145 V148 V160 C161V114-V141 PolarHBondContact O-N 3.13Å; T116-V141 PolarHBondContact N-O 3.5Å; V141-D145 HydrophobicContact CG1-CB 4.1Å; V141-V148 HydrophobicContact CG1-CG2 3.68Å; V141-V160 HydrophobicContact CG1-CB 4.31Å; V141-V160 HydrophobicContact CG1-CG1 3.86Å; V141-V160 HydrophobicContact CG2-CG1 3.88Å; V141-C161 HydrophobicContact CG2-CB 4.36Å; V141-C161 WeakPolarHBondContact CG2-SG 3.14Å
142L98.3Very high97.3Very high39 Ų3957.8 Ų57.820%0.20433%0.325CS..  trans-98.2165.3-175.2-57.5177.1000110.9T116 F123 I140 D144 D145T116-L142 HydrophobicContact CG2-CD2 3.72Å; T116-L142 CarbonylContact O-C 3.58Å; T116-L142 VanDerWaalsContact O-C 3.28Å; F123-L142 HydrophobicContact CB-CD2 3.8Å; F123-L142 HydrophobicContact CD1-CD2 4.02Å; F123-L142 HydrophobicContact CD2-CD2 3.66Å; F123-L142 HydrophobicContact CE2-CD2 4.29Å; F123-L142 HydrophobicContact CG-CD2 3.52Å; I140-L142 HydrophobicContact CG2-CD2 3.7Å; I140-L142 HydrophobicContact CG2-CG 4.41Å; L142-D144 VanDerWaalsContact CB-OD1 3.25Å; L142-D144 WeakPolarHBondContact CB-OD1 3.15Å; L142-D144 PolarHBondContact O-N 3.02Å; L142-D145 WeakPolarHBondContact O-CB 3.46Å; L142-D145 PolarHBondContact O-N 2.82Å
143G95.3Very high97.2Very high34 Ų3455.7 Ų55.735%0.35132%0.317SS..THydrogen-bonded Turntrans-71.4-20.3-179.100000114T116 S118T116-G143 WeakPolarHBondContact O-CA 3.32Å; T116-G143 PolarHBondContact O-N 2.65Å; S118-G143 PolarHBondContact O-N 2.9Å
144D96Very high97.2Very high95 Ų9560.1 Ų60.151%0.50834%0.338SS..THydrogen-bonded Turntrans-98.313.9174.957.9-11.6000112.8A119 G120 L142A119-D144 HydrophobicContact CB-CB 4.07Å; A119-D144 WeakPolarHBondContact CB-OD2 3.39Å; G120-D144 PolarHBondContact N-OD1 3.01Å; G120-D144 PolarHBondContact N-OD2 3.41Å; L142-D144 VanDerWaalsContact CB-OD1 3.25Å; L142-D144 WeakPolarHBondContact CB-OD1 3.15Å; L142-D144 PolarHBondContact O-N 3.02Å
145D97.7Very high97.2Very high23 Ų2360.4 Ų60.412%0.12334%0.341CS..  trans-65130.9175.8-169-70.1000111V141 L142 D147 V148 R164V141-D145 HydrophobicContact CG1-CB 4.1Å; L142-D145 WeakPolarHBondContact O-CB 3.46Å; L142-D145 PolarHBondContact O-N 2.82Å; D145-D147 PolarHBondContact O-N 3.02Å; D145-D147 VanDerWaalsContact O-N 3.15Å; D145-D147 PolarHBondContact OD1-N 3.17Å; D145-V148 HydrophobicContact CB-CB 4.36Å; D145-V148 HydrophobicContact CB-CG2 3.93Å; D145-V148 PolarHBondContact O-N 3.38Å; D145-R164 VanDerWaalsContact CG-NH2 3.31Å; D145-R164 IonicContact OD1-CZ 2.78Å; D145-R164 IonicContact OD1-NH1 3.12Å; D145-R164 IonicContact OD1-NH2 2.67Å; D145-R164 PolarHBondContact OD1-NH2 2.96Å; D145-R164 IonicContact OD2-CZ 2.73Å; D145-R164 IonicContact OD2-NH1 3.7Å; D145-R164 PolarHBondContact OD2-NH1 3.31Å; D145-R164 IonicContact OD2-NH2 2.74Å; D145-R164 PolarHBondContact OD2-NH2 2.86Å; D145-R164 VanDerWaalsContact OD2-NH2 3.13Å
146P97.4Very high97.2Very high94 Ų9457.9 Ų57.961%0.6132%0.316SS*.THydrogen-bonded Turntrans-63.8-22.7-175.326.3-36.1000113.7K149P146-K149 VanDerWaalsContact O-CE 3.29Å; P146-K149 WeakPolarHBondContact O-CE 3.35Å; P146-K149 PolarHBondContact O-NZ 3.44Å
147D98.1Very high97.1Very high89 Ų8955.9 Ų55.948%0.47631%0.306SS..THydrogen-bonded Turntrans-85.9-11.9178.5-64.1-31.6000112.7D145 K149 V160 R164D145-D147 PolarHBondContact O-N 3.02Å; D145-D147 VanDerWaalsContact O-N 3.15Å; D145-D147 PolarHBondContact OD1-N 3.17Å; D147-K149 PolarHBondContact O-N 2.98Å; D147-V160 HydrophobicContact CB-CG1 4.2Å; D147-V160 HydrophobicContact CB-CG2 3.82Å; D147-R164 IonicContact OD2-CZ 3.76Å; D147-R164 IonicContact OD2-NE 3.87Å; D147-R164 IonicContact OD2-NH2 3.78Å; D147-R164 PolarHBondContact OD2-NH2 3.38Å
148V97.5Very high97.2Very high20 Ų2055.1 Ų55.112%0.12130%0.303CS..  trans-89.194.2173.9-178.70000108.3V141 D145 D156 V160V141-V148 HydrophobicContact CG1-CG2 3.68Å; D145-V148 HydrophobicContact CB-CB 4.36Å; D145-V148 HydrophobicContact CB-CG2 3.93Å; D145-V148 PolarHBondContact O-N 3.38Å; V148-D156 HydrophobicContact CG1-CB 4.11Å; V148-V160 HydrophobicContact CG2-CB 4.37Å; V148-V160 HydrophobicContact CG2-CG2 4.18Å
149K96.8Very high97.2Very high151 Ų15154.8 Ų54.866%0.65730%0.301SS*.  trans-79.1-34.9-177.1-55.3-53.2-177.3-175.80111.5P146 D147 D156P146-K149 VanDerWaalsContact O-CE 3.29Å; P146-K149 WeakPolarHBondContact O-CE 3.35Å; P146-K149 PolarHBondContact O-NZ 3.44Å; D147-K149 PolarHBondContact O-N 2.98Å; K149-D156 WeakPolarHBondContact CB-OD2 3.29Å; K149-D156 PolarHBondContact N-OD2 2.87Å; K149-D156 VanDerWaalsContact N-OD2 3.09Å
150N95.6Very high97.3Very high87 Ų8749.6 Ų49.647%0.46528%0.283SS..SBendtrans-127.7132.2179.2-52.4-74.6000110.3E154 D156N150-E154 HydrophobicContact CB-CB 3.48Å; N150-E154 VanDerWaalsContact CB-CB 3.48Å; N150-E154 HydrophobicContact CB-CG 3.49Å; N150-E154 VanDerWaalsContact CB-CG 3.49Å; N150-D156 PolarHBondContact N-OD2 2.88Å; N150-D156 PolarHBondContact ND2-OD2 3.3Å; N150-D156 WeakPolarHBondContact O-CB 3.24Å
151G93.8Very high97.3Very high48 Ų4847 Ų4750%0.49527%0.269SS..  trans-71.9169.8172.400000112.3E154G151-E154 WeakPolarHBondContact O-CB 3.44Å; G151-E154 PolarHBondContact O-N 3.4Å
152K95.4Very high97.3Very high26 Ų2647.1 Ų47.111%0.11327%0.27CS..THydrogen-bonded Turntrans-51.5132.4173.5-62.9169.2-178.8-176.40109.5D17 A115 F158 E178 N182 A186D17-K152 IonicContact OD1-NZ 3.73Å; D17-K152 PolarHBondContact OD1-NZ 3.04Å; A115-K152 PolarHBondContact O-NZ 3.1Å; K152-F158 HydrophobicContact CD-CZ 4.43Å; K152-F158 VanDerWaalsContact CE-CZ 3.44Å; K152-E178 WeakPolarHBondContact CE-OE1 3.41Å; K152-E178 IonicContact NZ-OE1 3.61Å; K152-E178 PolarHBondContact NZ-OE1 2.95Å; K152-N182 HydrophobicContact CB-CB 4.26Å; K152-A186 HydrophobicContact CB-CB 4.25Å; K152-A186 HydrophobicContact CG-CB 3.93Å
153P95.6Very high97.3Very high52 Ų5248.5 Ų48.534%0.33828%0.283SS..THydrogen-bonded Turncis-90.88.521.837.6-38.7000116.2N182 K185 A186P153-N182 WeakPolarHBondContact CA-O 3.25Å; P153-N182 HydrophobicContact CB-CB 4.26Å; P153-K185 HydrophobicContact CB-CB 3.79Å; P153-K185 HydrophobicContact CB-CD 4.27Å; P153-A186 WeakPolarHBondContact O-CA 3.4Å; P153-A186 WeakPolarHBondContact O-CB 3.46Å; P153-A186 PolarHBondContact O-N 3.26Å
154E97.8Very high97.5Very high97 Ų9750 Ų5045%0.45328%0.278SS..SBendtrans-71.6147.9172.4-63-54.8140.800111.1N150 G151 D156 A186N150-E154 HydrophobicContact CB-CB 3.48Å; N150-E154 VanDerWaalsContact CB-CB 3.48Å; N150-E154 HydrophobicContact CB-CG 3.49Å; N150-E154 VanDerWaalsContact CB-CG 3.49Å; G151-E154 WeakPolarHBondContact O-CB 3.44Å; G151-E154 PolarHBondContact O-N 3.4Å; E154-D156 PolarHBondContact O-N 3.41Å; E154-A186 VanDerWaalsContact O-CB 3.31Å; E154-A186 WeakPolarHBondContact O-CB 3.45Å
155P98.4Very high97.6Very high19 Ų1945.9 Ų45.912%0.12326%0.256CS..SBendtrans-76.8-7.6-169.131.9-37.1000114.3S157 F158 L159 A189 A190P155-S157 PolarHBondContact O-N 3.45Å; P155-F158 PolarHBondContact O-N 2.94Å; P155-L159 HydrophobicContact CB-CD1 3.83Å; P155-L159 HydrophobicContact CB-CG 4.12Å; P155-L159 HydrophobicContact CG-CD1 3.86Å; P155-L159 PolarHBondContact O-N 3.31Å; P155-A189 HydrophobicContact CB-CB 4.12Å; P155-A189 HydrophobicContact CG-CB 4.3Å; P155-A190 HydrophobicContact CB-CB 3.66Å
156D98.6Very high97.5Very high28 Ų2850.2 Ų50.215%0.1529%0.288CS..Hα-helixtrans-47-53-167.9-61.525.4000112.7V148 K149 N150 E154 F158 L159 V160V148-D156 HydrophobicContact CG1-CB 4.11Å; K149-D156 WeakPolarHBondContact CB-OD2 3.29Å; K149-D156 PolarHBondContact N-OD2 2.87Å; K149-D156 VanDerWaalsContact N-OD2 3.09Å; N150-D156 PolarHBondContact N-OD2 2.88Å; N150-D156 PolarHBondContact ND2-OD2 3.3Å; N150-D156 WeakPolarHBondContact O-CB 3.24Å; E154-D156 PolarHBondContact O-N 3.41Å; D156-F158 VanDerWaalsContact C-N 3.32Å; D156-F158 PolarHBondContact O-N 3.29Å; D156-L159 PolarHBondContact O-N 3.34Å; D156-V160 WeakPolarHBondContact O-CB 3.23Å; D156-V160 WeakPolarHBondContact O-CG2 3.25Å; D156-V160 PolarHBondContact O-N 3.09Å
157S98.1Very high97.4Very high6 Ų650.4 Ų50.44%0.04229%0.289CS..Hα-helixtrans-57.8-40.6-177.1600000113.5P155 C161P155-S157 PolarHBondContact O-N 3.45Å; S157-C161 PolarHBondContact O-N 3.41Å; S157-C161 VanDerWaalsContact O-N 3.08Å
158F98.8Very high97.4Very high0 Ų050.6 Ų50.60%030%0.295CS..Hα-helixtrans-75.2-39.7178.2-62.7-53.6000112.1I15 A115 K152 P155 D156 V160 C161 A162 V176 E178 G183 A186 A187 A190 M192I15-F158 HydrophobicContact CG2-CD1 3.83Å; I15-F158 HydrophobicContact CG2-CE1 4.26Å; A115-F158 HydrophobicContact CB-CD1 3.68Å; A115-F158 HydrophobicContact CB-CE1 3.75Å; K152-F158 HydrophobicContact CD-CZ 4.43Å; K152-F158 VanDerWaalsContact CE-CZ 3.44Å; P155-F158 PolarHBondContact O-N 2.94Å; D156-F158 VanDerWaalsContact C-N 3.32Å; D156-F158 PolarHBondContact O-N 3.29Å; F158-V160 VanDerWaalsContact C-N 3.32Å; F158-V160 PolarHBondContact O-N 2.89Å; F158-C161 WeakPolarHBondContact O-CB 3.5Å; F158-C161 PolarHBondContact O-N 3.16Å; F158-A162 WeakPolarHBondContact O-CB 3.5Å; F158-A162 PolarHBondContact O-N 3.34Å; F158-V176 HydrophobicContact CD1-CG1 4.16Å; F158-V176 HydrophobicContact CD1-CG2 3.99Å; F158-V176 HydrophobicContact CE1-CG1 3.5Å; F158-V176 HydrophobicContact CE1-CG2 4.2Å; F158-V176 HydrophobicContact CE2-CG1 4.21Å; F158-V176 HydrophobicContact CG-CG2 4.21Å; F158-V176 HydrophobicContact CZ-CG1 3.53Å; F158-E178 HydrophobicContact CZ-CG 3.96Å; F158-G183 WeakPolarHBondContact CE2-O 3.48Å; F158-A186 HydrophobicContact CD2-CB 3.81Å; F158-A186 HydrophobicContact CE2-CB 3.62Å; F158-A187 HydrophobicContact CD2-CB 4.19Å; F158-A187 HydrophobicContact CE2-CB 4Å; F158-A190 HydrophobicContact CB-CB 4.36Å; F158-M192 HydrophobicContact CB-CE 4.02Å; F158-M192 HydrophobicContact CB-SD 3.89Å
159L98.8Very high97.4Very high66 Ų6650.2 Ų50.235%0.34629%0.294SS..Hα-helixtrans-63.7-38.4175.3-67.8175.2000111.8P155 D156 A162 S163 P171 A190 M192P155-L159 HydrophobicContact CB-CD1 3.83Å; P155-L159 HydrophobicContact CB-CG 4.12Å; P155-L159 HydrophobicContact CG-CD1 3.86Å; P155-L159 PolarHBondContact O-N 3.31Å; D156-L159 PolarHBondContact O-N 3.34Å; L159-A162 PolarHBondContact O-N 3.29Å; L159-S163 WeakPolarHBondContact O-CB 3.31Å; L159-S163 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-OG 3.05Å; L159-P171 HydrophobicContact CD2-CG 4.02Å; L159-A190 HydrophobicContact CD2-CB 3.88Å; L159-A190 HydrophobicContact CG-CB 4.02Å; L159-M192 HydrophobicContact CD2-CE 4.4Å
160V98.8Very high97.5Very high14 Ų1445.9 Ų45.99%0.08528%0.283CS..Hα-helixtrans-65.9-41.5174.3173.10000110.9V141 D147 V148 D156 F158 S163 R164V141-V160 HydrophobicContact CG1-CB 4.31Å; V141-V160 HydrophobicContact CG1-CG1 3.86Å; V141-V160 HydrophobicContact CG2-CG1 3.88Å; D147-V160 HydrophobicContact CB-CG1 4.2Å; D147-V160 HydrophobicContact CB-CG2 3.82Å; V148-V160 HydrophobicContact CG2-CB 4.37Å; V148-V160 HydrophobicContact CG2-CG2 4.18Å; D156-V160 WeakPolarHBondContact O-CB 3.23Å; D156-V160 WeakPolarHBondContact O-CG2 3.25Å; D156-V160 PolarHBondContact O-N 3.09Å; F158-V160 VanDerWaalsContact C-N 3.32Å; F158-V160 PolarHBondContact O-N 2.89Å; V160-S163 PolarHBondContact O-OG 2.92Å; V160-S163 VanDerWaalsContact O-OG 3.07Å; V160-R164 WeakPolarHBondContact O-CB 3.34Å; V160-R164 VanDerWaalsContact O-CG 3.25Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-N 3.12Å
161C98.4Very high97.6Very high0 Ų043.5 Ų43.50%027%0.272CS..Hα-helixtrans-58.3-50.3171-84.90000111.9I15 A113 V114 V141 S157 F158 S163 R164 F165I15-C161 HydrophobicContact CD1-CB 3.78Å; I15-C161 HydrophobicContact CG1-CB 4.16Å; I15-C161 HydrophobicContact CG2-CB 3.92Å; A113-C161 HydrophobicContact CB-CB 4.23Å; V114-C161 PolarHBondContact O-SG 2.83Å; V141-C161 HydrophobicContact CG2-CB 4.36Å; V141-C161 WeakPolarHBondContact CG2-SG 3.14Å; S157-C161 PolarHBondContact O-N 3.41Å; S157-C161 VanDerWaalsContact O-N 3.08Å; F158-C161 WeakPolarHBondContact O-CB 3.5Å; F158-C161 PolarHBondContact O-N 3.16Å; C161-S163 VanDerWaalsContact C-N 3.32Å; C161-S163 PolarHBondContact O-N 3.03Å; C161-R164 PolarHBondContact O-N 3.09Å; C161-F165 WeakPolarHBondContact O-CD2 3.13Å; C161-F165 PolarHBondContact O-N 3.27Å
162A98.7Very high97.8Very high2 Ų246.1 Ų46.12%0.01727%0.272CS..Hα-helixtrans-59.8-41.4-178.100000112.3I15 F158 L159 R164 A169 M192I15-A162 HydrophobicContact CD1-CB 4.44Å; F158-A162 WeakPolarHBondContact O-CB 3.5Å; F158-A162 PolarHBondContact O-N 3.34Å; L159-A162 PolarHBondContact O-N 3.29Å; A162-R164 VanDerWaalsContact C-N 3.31Å; A162-R164 PolarHBondContact O-N 3.17Å; A162-A169 PolarHBondContact O-N 2.85Å; A162-M192 HydrophobicContact CB-CE 3.75Å
163S98.5Very high98Very high68 Ų6849.1 Ų49.148%0.47629%0.285SS..Hα-helixtrans-71.3-23.618073.40000113.9L159 V160 C161 P168L159-S163 WeakPolarHBondContact O-CB 3.31Å; L159-S163 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-OG 3.05Å; V160-S163 PolarHBondContact O-OG 2.92Å; V160-S163 VanDerWaalsContact O-OG 3.07Å; C161-S163 VanDerWaalsContact C-N 3.32Å; C161-S163 PolarHBondContact O-N 3.03Å; S163-P168 WeakPolarHBondContact O-CG 3.36Å
164R98.1Very high98.1Very high64 Ų6446.6 Ų46.624%0.24227%0.269CS..Hα-helixtrans-93.2-4.4-177.2-70.9177179.5179.66114.6R139 D145 D147 V160 C161 A162R139-R164 HydrophobicContact CG-CB 4.09Å; R139-R164 WeakPolarHBondContact CG-O 3.45Å; R139-R164 PolarHBondContact NE-O 2.87Å; D145-R164 VanDerWaalsContact CG-NH2 3.31Å; D145-R164 IonicContact OD1-CZ 2.78Å; D145-R164 IonicContact OD1-NH1 3.12Å; D145-R164 IonicContact OD1-NH2 2.67Å; D145-R164 PolarHBondContact OD1-NH2 2.96Å; D145-R164 IonicContact OD2-CZ 2.73Å; D145-R164 IonicContact OD2-NH1 3.7Å; D145-R164 PolarHBondContact OD2-NH1 3.31Å; D145-R164 IonicContact OD2-NH2 2.74Å; D145-R164 PolarHBondContact OD2-NH2 2.86Å; D145-R164 VanDerWaalsContact OD2-NH2 3.13Å; D147-R164 IonicContact OD2-CZ 3.76Å; D147-R164 IonicContact OD2-NE 3.87Å; D147-R164 IonicContact OD2-NH2 3.78Å; D147-R164 PolarHBondContact OD2-NH2 3.38Å; V160-R164 WeakPolarHBondContact O-CB 3.34Å; V160-R164 VanDerWaalsContact O-CG 3.25Å; V160-R164 WeakPolarHBondContact O-CG 3.27Å; V160-R164 PolarHBondContact O-N 3.12Å; C161-R164 PolarHBondContact O-N 3.09Å; A162-R164 VanDerWaalsContact C-N 3.31Å; A162-R164 PolarHBondContact O-N 3.17Å
165F98.3Very high98.2Very high9 Ų942 Ų424%0.03925%0.247CC..SBendtrans-60.8161.1163.7-73.5-61.5000111H13 I15 P111 A113 D138 C161 P167 P168 A169H13-F165 HydrophobicContact CB-CD2 4.36Å; H13-F165 HydrophobicContact CB-CE2 3.93Å; H13-F165 HydrophobicContact CB-CZ 4.29Å; H13-F165 AromaticContact CD2-CD1 3.84Å; H13-F165 AromaticContact CD2-CD2 3.44Å; H13-F165 VanDerWaalsContact CD2-CD2 3.44Å; H13-F165 WeakPolarHBondContact CD2-CD2 3.28Å; H13-F165 AromaticContact CD2-CE2 3.77Å; H13-F165 AromaticContact CD2-CG 3.48Å; H13-F165 VanDerWaalsContact CD2-CG 3.48Å; H13-F165 WeakPolarHBondContact CD2-CG 3.31Å; I15-F165 HydrophobicContact CD1-CE2 4.31Å; I15-F165 HydrophobicContact CG1-CE2 3.98Å; I15-F165 HydrophobicContact CG1-CZ 4.24Å; P111-F165 HydrophobicContact CB-CD1 3.76Å; P111-F165 HydrophobicContact CB-CE1 3.75Å; A113-F165 HydrophobicContact CB-CE1 3.82Å; A113-F165 HydrophobicContact CB-CE2 4.27Å; A113-F165 HydrophobicContact CB-CZ 3.47Å; A113-F165 VanDerWaalsContact CB-CZ 3.47Å; D138-F165 HydrophobicContact CB-CE1 4.49Å; C161-F165 WeakPolarHBondContact O-CD2 3.13Å; C161-F165 PolarHBondContact O-N 3.27Å; F165-P167 CarbonylContact C-O 3.56Å; F165-P167 WeakPolarHBondContact CB-O 3.47Å; F165-P167 CarbonylContact O-C 3.2Å; F165-P168 VanDerWaalsContact O-N 3.16Å; F165-A169 HydrophobicContact CD2-CB 3.92Å
166S95.5Very high98.2Very high114 Ų11441.1 Ų41.180%0.79724%0.241SC*.SBendtrans-128.5103178.9-161.50000110.1
167P96Very high98.2Very high99 Ų9939.8 Ų39.864%0.64323%0.234SC*.SBendcis-68.6163.4-3.531.9-36.4000112.8F165F165-P167 CarbonylContact C-O 3.56Å; F165-P167 WeakPolarHBondContact CB-O 3.47Å; F165-P167 CarbonylContact O-C 3.2Å
168P98Very high98.2Very high92 Ų9239.6 Ų39.660%0.59723%0.233SC*.PPolyproline II helixtrans-54.4141.8172.5-27.236.1000112.1S163 F165S163-P168 WeakPolarHBondContact O-CG 3.36Å; F165-P168 VanDerWaalsContact O-N 3.16Å
169A98.1Very high98.1Very high12 Ų1240.3 Ų40.310%0.09924%0.236CC..PPolyproline II helixtrans-94.8136-179.500000111.4H13 A162 F165H13-A169 HydrophobicContact CB-CB 4.19Å; A162-A169 PolarHBondContact O-N 2.85Å; F165-A169 HydrophobicContact CD2-CB 3.92Å
170S98.3Very high97.9Very high60 Ų6038.3 Ų38.342%0.4223%0.229SC..PPolyproline II helixtrans-67.8138.2166.4-50.60000110E172 K173S170-E172 VanDerWaalsContact C-N 3.27Å; S170-E172 WeakPolarHBondContact CB-OE1 3.49Å; S170-E172 VanDerWaalsContact CB-OE2 3.29Å; S170-E172 WeakPolarHBondContact CB-OE2 3.25Å; S170-E172 PolarHBondContact O-N 2.9Å; S170-E172 VanDerWaalsContact O-N 3.17Å; S170-K173 WeakPolarHBondContact O-CB 3.37Å; S170-K173 PolarHBondContact O-N 2.85Å
171P98.3Very high97.7Very high38 Ų3838.6 Ų38.625%0.24723%0.232CC..G310 helixtrans-56.3-35.3-175.5-26.334.1000114.9L159 K173 C174 A190 M192L159-P171 HydrophobicContact CD2-CG 4.02Å; P171-K173 PolarHBondContact O-N 2.81Å; P171-K173 VanDerWaalsContact O-N 3.09Å; P171-C174 WeakPolarHBondContact O-CB 3.49Å; P171-C174 PolarHBondContact O-N 2.98Å; P171-A190 WeakPolarHBondContact CB-O 3.13Å; P171-M192 HydrophobicContact CB-CE 4.03Å; P171-M192 HydrophobicContact CB-CG 3.98Å; P171-M192 WeakPolarHBondContact O-CG 3.28Å
172E97.9Very high97.6Very high103 Ų10340.5 Ų40.548%0.48124%0.242SC..G310 helixtrans-66.9-11.1177.671-80.7-17400114.1S170S170-E172 VanDerWaalsContact C-N 3.27Å; S170-E172 WeakPolarHBondContact CB-OE1 3.49Å; S170-E172 VanDerWaalsContact CB-OE2 3.29Å; S170-E172 WeakPolarHBondContact CB-OE2 3.25Å; S170-E172 PolarHBondContact O-N 2.9Å; S170-E172 VanDerWaalsContact O-N 3.17Å
173K98.4Very high97.5Very high88 Ų8840.4 Ų40.438%0.38324%0.241SC..G310 helixtrans-100.31.9174-62.6-59.9-175.1-179.70113.2V11 S12 H13 S170 P171V11-K173 WeakPolarHBondContact CB-O 3.37Å; S12-K173 PolarHBondContact N-O 3.49Å; H13-K173 PolarHBondContact N-O 2.9Å; H13-K173 VanDerWaalsContact N-O 3.1Å; S170-K173 WeakPolarHBondContact O-CB 3.37Å; S170-K173 PolarHBondContact O-N 2.85Å; P171-K173 PolarHBondContact O-N 2.81Å; P171-K173 VanDerWaalsContact O-N 3.09Å
174C98.8Very high97.4Very high0 Ų037.4 Ų37.40%022%0.22CC..EExtended strand (participates in β ladder)trans-97.9138.6176.3-63.80000111.1H13 I15 P171 M192 Q193H13-C174 WeakPolarHBondContact O-CA 3.18Å; I15-C174 HydrophobicContact CD1-CB 4.15Å; P171-C174 WeakPolarHBondContact O-CB 3.49Å; P171-C174 PolarHBondContact O-N 2.98Å; C174-M192 HydrophobicContact CB-CB 4.41Å; C174-M192 HydrophobicContact CB-CE 4.1Å; C174-M192 HydrophobicContact CB-CG 3.95Å; C174-M192 HydrophobicContact CB-SD 3.63Å; C174-Q193 PolarHBondContact O-N 3.18Å
175L98.9Very high97.4Very high0 Ų040.2 Ų40.20%023%0.234CC..EExtended strand (participates in β ladder)trans-110.2120.9165.9-173.863000109.1V11 H13 V14 I15 F177 Q193 V195 F220 F225V11-L175 HydrophobicContact CB-CB 4.27Å; V11-L175 HydrophobicContact CG1-CB 4.09Å; V11-L175 HydrophobicContact CG2-CB 3.92Å; V11-L175 HydrophobicContact CG2-CD2 4.41Å; H13-L175 PolarHBondContact O-N 2.86Å; V14-L175 CarbonylContact C-O 3.55Å; V14-L175 WeakPolarHBondContact CA-O 3.29Å; V14-L175 WeakPolarHBondContact CG1-O 3.39Å; I15-L175 PolarHBondContact N-O 3.3Å; L175-F177 HydrophobicContact CD2-CE2 3.76Å; L175-F177 HydrophobicContact CD2-CZ 4.21Å; L175-F177 HydrophobicContact CG-CE2 4.08Å; L175-Q193 HydrophobicContact CD1-CB 3.72Å; L175-V195 HydrophobicContact CD1-CG2 3.89Å; L175-V195 HydrophobicContact CD2-CG2 4.06Å; L175-V195 HydrophobicContact CG-CG2 4.13Å; L175-F220 HydrophobicContact CD2-CE2 4.04Å; L175-F220 HydrophobicContact CD2-CZ 3.79Å; L175-F225 HydrophobicContact CD1-CD1 3.77Å; L175-F225 HydrophobicContact CD1-CE1 3.62Å; L175-F225 HydrophobicContact CD1-CE2 4.41Å; L175-F225 HydrophobicContact CD1-CG 4.24Å; L175-F225 HydrophobicContact CD1-CZ 3.96Å; L175-F225 HydrophobicContact CD2-CB 4.21Å; L175-F225 HydrophobicContact CD2-CD1 4.22Å; L175-F225 HydrophobicContact CD2-CD2 3.88Å; L175-F225 HydrophobicContact CD2-CE2 4.3Å; L175-F225 HydrophobicContact CD2-CG 3.83Å
176V98.9Very high97.4Very high0 Ų039.8 Ų39.80%023%0.232CC..EExtended strand (participates in β ladder)trans-90.8139.4174.1177.80000109.7I15 F158 E178 A187 M192 Q193 V194 V195I15-V176 HydrophobicContact CB-CG2 4.43Å; I15-V176 CarbonylContact O-C 3.53Å; I15-V176 WeakPolarHBondContact O-CA 3.23Å; F158-V176 HydrophobicContact CD1-CG1 4.16Å; F158-V176 HydrophobicContact CD1-CG2 3.99Å; F158-V176 HydrophobicContact CE1-CG1 3.5Å; F158-V176 HydrophobicContact CE1-CG2 4.2Å; F158-V176 HydrophobicContact CE2-CG1 4.21Å; F158-V176 HydrophobicContact CG-CG2 4.21Å; F158-V176 HydrophobicContact CZ-CG1 3.53Å; V176-E178 HydrophobicContact CG1-CB 4.37Å; V176-E178 HydrophobicContact CG1-CG 3.95Å; V176-A187 HydrophobicContact CB-CB 3.77Å; V176-A187 HydrophobicContact CG1-CB 3.91Å; V176-A187 HydrophobicContact CG2-CB 3.75Å; V176-M192 HydrophobicContact CG2-CB 4.04Å; V176-M192 HydrophobicContact CG2-CG 4.48Å; V176-M192 HydrophobicContact CG2-SD 3.61Å; V176-Q193 PolarHBondContact N-O 3.08Å; V176-V194 HydrophobicContact CB-CB 4.2Å; V176-V194 HydrophobicContact CB-CG2 4.01Å; V176-V194 HydrophobicContact CG1-CG2 4.03Å; V176-V194 CarbonylContact O-C 3.46Å; V176-V194 VanDerWaalsContact O-CA 3.29Å; V176-V194 WeakPolarHBondContact O-CA 3.38Å; V176-V195 PolarHBondContact O-N 3.1Å
177F98.9Very high97.5Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-107.5134.6161.3-74.2-106.1000109V14 I15 F16 D17 L21 L101 L175 V195 I197 M217 F220V14-F177 HydrophobicContact CG1-CD2 3.53Å; V14-F177 HydrophobicContact CG1-CE2 3.51Å; I15-F177 PolarHBondContact O-N 2.81Å; F16-F177 HydrophobicContact CD1-CB 3.69Å; F16-F177 HydrophobicContact CD1-CD2 4.04Å; F16-F177 AromaticContact CD1-CG 3.92Å; F16-F177 HydrophobicContact CD1-CG 3.92Å; F16-F177 HydrophobicContact CE1-CB 4.1Å; F16-F177 HydrophobicContact CE1-CD1 4.34Å; F16-F177 AromaticContact CE1-CD2 3.67Å; F16-F177 HydrophobicContact CE1-CD2 3.67Å; F16-F177 HydrophobicContact CE1-CE2 4.15Å; F16-F177 AromaticContact CE1-CG 3.78Å; F16-F177 HydrophobicContact CE1-CG 3.78Å; F16-F177 HydrophobicContact CG-CB 4.47Å; F16-F177 HydrophobicContact CZ-CD2 4.15Å; F16-F177 HydrophobicContact CZ-CE2 4.35Å; D17-F177 PolarHBondContact N-O 2.99Å; L21-F177 HydrophobicContact CD1-CB 4.24Å; L21-F177 HydrophobicContact CD2-CB 3.59Å; L21-F177 WeakPolarHBondContact CD2-O 3.33Å; L21-F177 HydrophobicContact CG-CB 4.44Å; L101-F177 HydrophobicContact CD2-CE1 3.91Å; L101-F177 HydrophobicContact CD2-CE2 4.27Å; L101-F177 HydrophobicContact CD2-CZ 3.71Å; L175-F177 HydrophobicContact CD2-CE2 3.76Å; L175-F177 HydrophobicContact CD2-CZ 4.21Å; L175-F177 HydrophobicContact CG-CE2 4.08Å; F177-V195 WeakPolarHBondContact CA-O 3.5Å; F177-V195 HydrophobicContact CD1-CB 3.81Å; F177-V195 HydrophobicContact CD1-CG1 3.96Å; F177-V195 HydrophobicContact CD1-CG2 4.44Å; F177-V195 HydrophobicContact CE1-CB 3.84Å; F177-V195 HydrophobicContact CE1-CG1 3.82Å; F177-V195 HydrophobicContact CE1-CG2 4.06Å; F177-V195 HydrophobicContact CE2-CG2 4.42Å; F177-V195 HydrophobicContact CG-CB 4.25Å; F177-V195 HydrophobicContact CZ-CB 4.3Å; F177-V195 HydrophobicContact CZ-CG2 4.05Å; F177-I197 HydrophobicContact CD1-CD1 4.25Å; F177-M217 HydrophobicContact CD1-CE 4.3Å; F177-F220 HydrophobicContact CE1-CB 4.46Å; F177-F220 HydrophobicContact CE1-CD1 4.39Å; F177-F220 AromaticContact CE1-CD2 3.93Å; F177-F220 HydrophobicContact CE1-CD2 3.93Å; F177-F220 HydrophobicContact CE1-CE2 4.26Å; F177-F220 AromaticContact CE1-CG 4Å; F177-F220 HydrophobicContact CE1-CG 4Å; F177-F220 HydrophobicContact CE2-CZ 4.36Å; F177-F220 AromaticContact CZ-CD1 3.88Å; F177-F220 HydrophobicContact CZ-CD1 3.88Å; F177-F220 AromaticContact CZ-CD2 3.72Å; F177-F220 HydrophobicContact CZ-CD2 3.72Å; F177-F220 AromaticContact CZ-CE1 3.78Å; F177-F220 HydrophobicContact CZ-CE1 3.78Å; F177-F220 AromaticContact CZ-CE2 3.62Å; F177-F220 HydrophobicContact CZ-CE2 3.62Å; F177-F220 AromaticContact CZ-CG 3.85Å; F177-F220 HydrophobicContact CZ-CG 3.85Å; F177-F220 AromaticContact CZ-CZ 3.66Å; F177-F220 HydrophobicContact CZ-CZ 3.66Å
178E98.4Very high97.6Very high3 Ų333.1 Ų33.11%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-150.5153.7-174.4-107.2-71-178.700111.3D17 K152 F158 V176 A180 G183 V184 V194 V195 M196 I197D17-E178 HydrophobicContact CB-CG 4.05Å; D17-E178 WeakPolarHBondContact CB-OE1 3.27Å; K152-E178 WeakPolarHBondContact CE-OE1 3.41Å; K152-E178 IonicContact NZ-OE1 3.61Å; K152-E178 PolarHBondContact NZ-OE1 2.95Å; F158-E178 HydrophobicContact CZ-CG 3.96Å; V176-E178 HydrophobicContact CG1-CB 4.37Å; V176-E178 HydrophobicContact CG1-CG 3.95Å; E178-A180 PolarHBondContact OE2-N 3.29Å; E178-G183 VanDerWaalsContact CD-CA 3.45Å; E178-G183 VanDerWaalsContact OE1-CA 3.23Å; E178-G183 WeakPolarHBondContact OE1-CA 3.41Å; E178-V184 HydrophobicContact CB-CG2 4.32Å; E178-V194 HydrophobicContact CB-CG2 4.07Å; E178-V195 PolarHBondContact N-O 2.92Å; E178-M196 CarbonylContact O-C 3.59Å; E178-M196 WeakPolarHBondContact O-CA 3.18Å; E178-I197 PolarHBondContact O-N 2.89Å
179D96.8Very high97.6Very high14 Ų1431.9 Ų31.98%0.07518%0.179CC..SBendtrans-108.9-26.5173.475.5-50.7000111.6L21 M196 I197L21-D179 HydrophobicContact CB-CB 4.42Å; D179-M196 VanDerWaalsContact O-CE 3.27Å; D179-M196 WeakPolarHBondContact O-CE 3.31Å; D179-I197 WeakPolarHBondContact CA-O 3.49Å; D179-I197 WeakPolarHBondContact CB-O 3.46Å
180A94.9Very high97.7Very high24 Ų2431.8 Ų31.820%0.19818%0.178CC..SBendtrans-104.1145.2-167.800000113.4E178 N182 G183 V184E178-A180 PolarHBondContact OE2-N 3.29Å; A180-N182 VanDerWaalsContact C-N 3.28Å; A180-N182 PolarHBondContact O-N 2.83Å; A180-G183 PolarHBondContact O-N 3.41Å; A180-G183 VanDerWaalsContact O-N 3.1Å; A180-V184 PolarHBondContact O-N 3.38Å; A180-V184 VanDerWaalsContact O-N 3.08Å
181P94.7Very high97.7Very high21 Ų2131.2 Ų31.214%0.13618%0.182CC..Hα-helixtrans-57.4-35.5177.7-27.234.8000114.6G183 V184 K185 M196 L202 L206P181-G183 VanDerWaalsContact C-N 3.34Å; P181-V184 PolarHBondContact O-N 3.28Å; P181-K185 WeakPolarHBondContact O-CG 3.21Å; P181-K185 PolarHBondContact O-N 3.06Å; P181-M196 HydrophobicContact CG-CE 4.22Å; P181-L202 HydrophobicContact CG-CD1 4.47Å; P181-L202 HydrophobicContact CG-CD2 4Å; P181-L206 HydrophobicContact CG-CB 3.99Å
182N94.6Very high97.7Very high39 Ų3929.8 Ų29.821%0.20917%0.172CC..Hα-helixtrans-67.9-37.3178.8-77.3-0.1000111.6G54 K152 P153 A180 K185 A186G54-N182 WeakPolarHBondContact CA-ND2 3.46Å; G54-N182 PolarHBondContact O-ND2 3Å; K152-N182 HydrophobicContact CB-CB 4.26Å; P153-N182 WeakPolarHBondContact CA-O 3.25Å; P153-N182 HydrophobicContact CB-CB 4.26Å; A180-N182 VanDerWaalsContact C-N 3.28Å; A180-N182 PolarHBondContact O-N 2.83Å; N182-K185 PolarHBondContact O-N 3.35Å; N182-A186 WeakPolarHBondContact O-CB 3.39Å; N182-A186 PolarHBondContact O-N 2.95Å
183G97Very high97.7Very high1 Ų125.8 Ų25.81%0.0115%0.154CC..Hα-helixtrans-67.9-41.7175.100000113.2F158 E178 A180 P181 K185 A186 A187F158-G183 WeakPolarHBondContact CE2-O 3.48Å; E178-G183 VanDerWaalsContact CD-CA 3.45Å; E178-G183 VanDerWaalsContact OE1-CA 3.23Å; E178-G183 WeakPolarHBondContact OE1-CA 3.41Å; A180-G183 PolarHBondContact O-N 3.41Å; A180-G183 VanDerWaalsContact O-N 3.1Å; P181-G183 VanDerWaalsContact C-N 3.34Å; G183-K185 VanDerWaalsContact C-N 3.31Å; G183-K185 PolarHBondContact O-N 2.96Å; G183-A186 PolarHBondContact O-N 3.35Å; G183-A186 VanDerWaalsContact O-N 3.17Å; G183-A187 WeakPolarHBondContact O-CB 3.44Å; G183-A187 PolarHBondContact O-N 3.04Å
184V97.2Very high97.7Very high5 Ų521.6 Ų21.63%0.0314%0.135CC..Hα-helixtrans-56.4-47.1171.8172.20000110.8E178 A180 P181 A186 A187 L188 V194 M196 A210E178-V184 HydrophobicContact CB-CG2 4.32Å; A180-V184 PolarHBondContact O-N 3.38Å; A180-V184 VanDerWaalsContact O-N 3.08Å; P181-V184 PolarHBondContact O-N 3.28Å; V184-A186 PolarHBondContact O-N 3.41Å; V184-A187 PolarHBondContact O-N 3.46Å; V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 HydrophobicContact CG1-CG 4.48Å; V184-L188 VanDerWaalsContact O-CG 3.25Å; V184-L188 WeakPolarHBondContact O-CG 3.41Å; V184-L188 PolarHBondContact O-N 2.95Å; V184-V194 HydrophobicContact CG1-CG1 3.99Å; V184-V194 HydrophobicContact CG2-CG2 4.22Å; V184-M196 HydrophobicContact CG2-CB 4.04Å; V184-M196 HydrophobicContact CG2-CE 4.04Å; V184-M196 HydrophobicContact CG2-CG 3.74Å; V184-M196 HydrophobicContact CG2-SD 3.8Å; V184-A210 HydrophobicContact CG1-CB 4.22Å
185K96.9Very high97.7Very high122 Ų12221.6 Ų21.653%0.5314%0.135SC..Hα-helixtrans-59.8-43.9176.2-71171.2-173.7174.50112.2P153 P181 N182 G183 L188 A189P153-K185 HydrophobicContact CB-CB 3.79Å; P153-K185 HydrophobicContact CB-CD 4.27Å; P181-K185 WeakPolarHBondContact O-CG 3.21Å; P181-K185 PolarHBondContact O-N 3.06Å; N182-K185 PolarHBondContact O-N 3.35Å; G183-K185 VanDerWaalsContact C-N 3.31Å; G183-K185 PolarHBondContact O-N 2.96Å; K185-L188 PolarHBondContact O-N 3.2Å; K185-A189 VanDerWaalsContact O-CB 3.27Å; K185-A189 WeakPolarHBondContact O-CB 3.47Å; K185-A189 PolarHBondContact O-N 3.4Å
186A98.2Very high97.7Very high0 Ų021.6 Ų21.60%014%0.135CC..Hα-helixtrans-63-42.4177.400000112.5K152 P153 E154 F158 N182 G183 V184 A189 A190K152-A186 HydrophobicContact CB-CB 4.25Å; K152-A186 HydrophobicContact CG-CB 3.93Å; P153-A186 WeakPolarHBondContact O-CA 3.4Å; P153-A186 WeakPolarHBondContact O-CB 3.46Å; P153-A186 PolarHBondContact O-N 3.26Å; E154-A186 VanDerWaalsContact O-CB 3.31Å; E154-A186 WeakPolarHBondContact O-CB 3.45Å; F158-A186 HydrophobicContact CD2-CB 3.81Å; F158-A186 HydrophobicContact CE2-CB 3.62Å; N182-A186 WeakPolarHBondContact O-CB 3.39Å; N182-A186 PolarHBondContact O-N 2.95Å; G183-A186 PolarHBondContact O-N 3.35Å; G183-A186 VanDerWaalsContact O-N 3.17Å; V184-A186 PolarHBondContact O-N 3.41Å; A186-A189 PolarHBondContact O-N 3.27Å; A186-A190 WeakPolarHBondContact O-CB 2.96Å; A186-A190 PolarHBondContact O-N 2.89Å
187A98.6Very high97.6Very high0 Ų022.6 Ų22.60%014%0.14CC..Hα-helixtrans-63.5-43.9177.500000111.8F158 V176 G183 V184 A190 G191 M192 V194F158-A187 HydrophobicContact CD2-CB 4.19Å; F158-A187 HydrophobicContact CE2-CB 4Å; V176-A187 HydrophobicContact CB-CB 3.77Å; V176-A187 HydrophobicContact CG1-CB 3.91Å; V176-A187 HydrophobicContact CG2-CB 3.75Å; G183-A187 WeakPolarHBondContact O-CB 3.44Å; G183-A187 PolarHBondContact O-N 3.04Å; V184-A187 PolarHBondContact O-N 3.46Å; A187-A190 WeakPolarHBondContact O-CB 3.45Å; A187-A190 PolarHBondContact O-N 3.22Å; A187-G191 PolarHBondContact O-N 2.71Å; A187-M192 WeakPolarHBondContact O-CB 3.42Å; A187-M192 PolarHBondContact O-N 3.45Å; A187-V194 HydrophobicContact CB-CB 3.82Å; A187-V194 HydrophobicContact CB-CG1 4.37Å; A187-V194 HydrophobicContact CB-CG2 4Å
188L98.2Very high97.5Very high73 Ų7323.5 Ų23.538%0.38215%0.146SC..Hα-helixtrans-66.4-42.1176.8-65.5172.3000111.8V184 K185 A190 G191 V194 G209V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 HydrophobicContact CG1-CG 4.48Å; V184-L188 VanDerWaalsContact O-CG 3.25Å; V184-L188 WeakPolarHBondContact O-CG 3.41Å; V184-L188 PolarHBondContact O-N 2.95Å; K185-L188 PolarHBondContact O-N 3.2Å; L188-A190 PolarHBondContact O-N 2.8Å; L188-G191 PolarHBondContact O-N 3.44Å; L188-V194 HydrophobicContact CD2-CG1 4.09Å; L188-V194 HydrophobicContact CG-CG1 4.23Å; L188-G209 WeakPolarHBondContact CD1-O 3.42Å
189A98.3Very high97.2Very high67 Ų6726 Ų2655%0.55416%0.16SC*.Hα-helixtrans-62.5-30.7174.900000112.1P155 K185 A186 G191P155-A189 HydrophobicContact CB-CB 4.12Å; P155-A189 HydrophobicContact CG-CB 4.3Å; K185-A189 VanDerWaalsContact O-CB 3.27Å; K185-A189 WeakPolarHBondContact O-CB 3.47Å; K185-A189 PolarHBondContact O-N 3.4Å; A186-A189 PolarHBondContact O-N 3.27Å; A189-G191 PolarHBondContact O-N 2.85Å
190A98.6Very high96.9Very high9 Ų931.8 Ų31.87%0.07419%0.191CC..THydrogen-bonded Turntrans-74.7-9173.300000113.3P155 F158 L159 P171 A186 A187 L188 M192P155-A190 HydrophobicContact CB-CB 3.66Å; F158-A190 HydrophobicContact CB-CB 4.36Å; L159-A190 HydrophobicContact CD2-CB 3.88Å; L159-A190 HydrophobicContact CG-CB 4.02Å; P171-A190 WeakPolarHBondContact CB-O 3.13Å; A186-A190 WeakPolarHBondContact O-CB 2.96Å; A186-A190 PolarHBondContact O-N 2.89Å; A187-A190 WeakPolarHBondContact O-CB 3.45Å; A187-A190 PolarHBondContact O-N 3.22Å; L188-A190 PolarHBondContact O-N 2.8Å; A190-M192 HydrophobicContact CB-CE 4.03Å; A190-M192 HydrophobicContact CB-CG 3.94Å; A190-M192 HydrophobicContact CB-SD 4.19Å
191G98.3Very high96.8Very high48 Ų4835.5 Ų35.550%0.49521%0.207SC..THydrogen-bonded Turntrans79.820.3-175.600000114.2A187 L188 A189A187-G191 PolarHBondContact O-N 2.71Å; L188-G191 PolarHBondContact O-N 3.44Å; A189-G191 PolarHBondContact O-N 2.85Å
192M98.6Very high96.6Very high8 Ų835.1 Ų35.14%0.03920%0.204CC..  trans-98.1157-177.9-54.2-175.6178.500111.7I15 F158 L159 A162 P171 C174 V176 A187 A190I15-M192 HydrophobicContact CD1-CE 4.08Å; I15-M192 HydrophobicContact CD1-SD 3.94Å; F158-M192 HydrophobicContact CB-CE 4.02Å; F158-M192 HydrophobicContact CB-SD 3.89Å; L159-M192 HydrophobicContact CD2-CE 4.4Å; A162-M192 HydrophobicContact CB-CE 3.75Å; P171-M192 HydrophobicContact CB-CE 4.03Å; P171-M192 HydrophobicContact CB-CG 3.98Å; P171-M192 WeakPolarHBondContact O-CG 3.28Å; C174-M192 HydrophobicContact CB-CB 4.41Å; C174-M192 HydrophobicContact CB-CE 4.1Å; C174-M192 HydrophobicContact CB-CG 3.95Å; C174-M192 HydrophobicContact CB-SD 3.63Å; V176-M192 HydrophobicContact CG2-CB 4.04Å; V176-M192 HydrophobicContact CG2-CG 4.48Å; V176-M192 HydrophobicContact CG2-SD 3.61Å; A187-M192 WeakPolarHBondContact O-CB 3.42Å; A187-M192 PolarHBondContact O-N 3.45Å; A190-M192 HydrophobicContact CB-CE 4.03Å; A190-M192 HydrophobicContact CB-CG 3.94Å; A190-M192 HydrophobicContact CB-SD 4.19Å
193Q98.4Very high96.2Very high20 Ų2035.2 Ų35.29%0.09321%0.21CC..EExtended strand (participates in β ladder)trans-78.7150.2164.9-69.3-180112.500109.4K9 C174 L175 V176 T211 F225K9-Q193 PolarHBondContact O-NE2 2.8Å; C174-Q193 PolarHBondContact O-N 3.18Å; L175-Q193 HydrophobicContact CD1-CB 3.72Å; V176-Q193 PolarHBondContact N-O 3.08Å; Q193-T211 HydrophobicContact CB-CG2 4.3Å; Q193-T211 HydrophobicContact CG-CG2 4.27Å; Q193-F225 HydrophobicContact CB-CE1 4.26Å
194V98.6Very high95.7Very high0 Ų039.7 Ų39.70%024%0.239CC..EExtended strand (participates in β ladder)trans-138128.5-17862.60000112.7V176 E178 V184 A187 L188 A210 T211 L212V176-V194 HydrophobicContact CB-CB 4.2Å; V176-V194 HydrophobicContact CB-CG2 4.01Å; V176-V194 HydrophobicContact CG1-CG2 4.03Å; V176-V194 CarbonylContact O-C 3.46Å; V176-V194 VanDerWaalsContact O-CA 3.29Å; V176-V194 WeakPolarHBondContact O-CA 3.38Å; E178-V194 HydrophobicContact CB-CG2 4.07Å; V184-V194 HydrophobicContact CG1-CG1 3.99Å; V184-V194 HydrophobicContact CG2-CG2 4.22Å; A187-V194 HydrophobicContact CB-CB 3.82Å; A187-V194 HydrophobicContact CB-CG1 4.37Å; A187-V194 HydrophobicContact CB-CG2 4Å; L188-V194 HydrophobicContact CD2-CG1 4.09Å; L188-V194 HydrophobicContact CG-CG1 4.23Å; V194-A210 HydrophobicContact CG1-CB 4.37Å; V194-T211 PolarHBondContact N-OG1 2.87Å; V194-T211 WeakPolarHBondContact O-CA 3.22Å; V194-T211 VanDerWaalsContact O-CB 3.24Å; V194-T211 WeakPolarHBondContact O-CB 3.47Å; V194-T211 PolarHBondContact O-N 2.99Å; V194-L212 PolarHBondContact O-N 2.92Å
195V98.6Very high95.2Very high0 Ų043 Ų430%026%0.262CS..EExtended strand (participates in β ladder)trans-93121.3166.7-175.80000107.9L175 V176 F177 E178 I197 L212 L214 F220 F225L175-V195 HydrophobicContact CD1-CG2 3.89Å; L175-V195 HydrophobicContact CD2-CG2 4.06Å; L175-V195 HydrophobicContact CG-CG2 4.13Å; V176-V195 PolarHBondContact O-N 3.1Å; F177-V195 WeakPolarHBondContact CA-O 3.5Å; F177-V195 HydrophobicContact CD1-CB 3.81Å; F177-V195 HydrophobicContact CD1-CG1 3.96Å; F177-V195 HydrophobicContact CD1-CG2 4.44Å; F177-V195 HydrophobicContact CE1-CB 3.84Å; F177-V195 HydrophobicContact CE1-CG1 3.82Å; F177-V195 HydrophobicContact CE1-CG2 4.06Å; F177-V195 HydrophobicContact CE2-CG2 4.42Å; F177-V195 HydrophobicContact CG-CB 4.25Å; F177-V195 HydrophobicContact CZ-CB 4.3Å; F177-V195 HydrophobicContact CZ-CG2 4.05Å; E178-V195 PolarHBondContact N-O 2.92Å; V195-I197 HydrophobicContact CG1-CG1 4.43Å; V195-L212 CarbonylContact C-O 3.54Å; V195-L212 WeakPolarHBondContact CA-O 3.42Å; V195-L212 HydrophobicContact CG1-CB 4.49Å; V195-L212 HydrophobicContact CG1-CD2 4.35Å; V195-L212 HydrophobicContact CG1-CG 4.39Å; V195-L212 HydrophobicContact CG2-CB 4.34Å; V195-L212 HydrophobicContact CG2-CD2 4.38Å; V195-L214 HydrophobicContact CG1-CD1 3.74Å; V195-L214 HydrophobicContact CG1-CG 4.09Å; V195-F220 HydrophobicContact CG2-CD2 4.29Å; V195-F220 HydrophobicContact CG2-CE2 3.97Å; V195-F225 HydrophobicContact CG2-CE2 4.09Å; V195-F225 HydrophobicContact CG2-CZ 4.19Å
196M98.2Very high94.6Very high0 Ų041.4 Ų41.40%026%0.259CS..EExtended strand (participates in β ladder)trans-101.5132.2177-166.3-173.1-165.600111.1E178 D179 P181 V184 P198 L202 T207 A210 L212 R213 L214E178-M196 CarbonylContact O-C 3.59Å; E178-M196 WeakPolarHBondContact O-CA 3.18Å; D179-M196 VanDerWaalsContact O-CE 3.27Å; D179-M196 WeakPolarHBondContact O-CE 3.31Å; P181-M196 HydrophobicContact CG-CE 4.22Å; V184-M196 HydrophobicContact CG2-CB 4.04Å; V184-M196 HydrophobicContact CG2-CE 4.04Å; V184-M196 HydrophobicContact CG2-CG 3.74Å; V184-M196 HydrophobicContact CG2-SD 3.8Å; M196-P198 HydrophobicContact CE-CB 4.09Å; M196-P198 HydrophobicContact SD-CB 4.48Å; M196-L202 HydrophobicContact CE-CD2 3.8Å; M196-T207 HydrophobicContact CE-CG2 4.18Å; M196-T207 HydrophobicContact SD-CG2 3.93Å; M196-A210 HydrophobicContact CB-CB 3.6Å; M196-A210 HydrophobicContact SD-CB 4.43Å; M196-L212 PolarHBondContact N-O 3.36Å; M196-R213 WeakPolarHBondContact O-CA 3.41Å; M196-L214 PolarHBondContact O-N 3.02Å
197I97.9Very high94Very high20 Ų2041.9 Ų41.910%0.10326%0.262CS..  trans-126.278.6174.2-47-177.9000108.1L21 F177 E178 D179 V195 L214 M217L21-I197 HydrophobicContact CD1-CB 4.1Å; L21-I197 HydrophobicContact CD1-CD1 4.02Å; L21-I197 HydrophobicContact CD1-CG1 4.18Å; F177-I197 HydrophobicContact CD1-CD1 4.25Å; E178-I197 PolarHBondContact O-N 2.89Å; D179-I197 WeakPolarHBondContact CA-O 3.49Å; D179-I197 WeakPolarHBondContact CB-O 3.46Å; V195-I197 HydrophobicContact CG1-CG1 4.43Å; I197-L214 HydrophobicContact CG1-CB 4.33Å; I197-M217 HydrophobicContact CD1-CB 3.8Å; I197-M217 HydrophobicContact CD1-CE 4.23Å; I197-M217 HydrophobicContact CD1-CG 4.26Å
198P95.6Very high93.2Very high20 Ų2049.1 Ų49.113%0.1330%0.296CS..  trans-79.3163.6-173.832.9-34.1000113M196 L202 T207 R213M196-P198 HydrophobicContact CE-CB 4.09Å; M196-P198 HydrophobicContact SD-CB 4.48Å; P198-L202 HydrophobicContact CB-CB 4.21Å; P198-L202 HydrophobicContact CB-CD2 3.62Å; P198-T207 HydrophobicContact CB-CG2 4.25Å; P198-T207 HydrophobicContact CG-CG2 4Å; P198-R213 HydrophobicContact CG-CG 4.35Å
199D93.3Very high92.7Very high56 Ų5648.1 Ų48.130%0.29930%0.303SS..  trans-56.3138.5161.8-169-62.5000110.5W46 K49 N201 L202W46-D199 HydrophobicContact CH2-CB 3.77Å; W46-D199 HydrophobicContact CZ3-CB 4.11Å; W46-D199 VanDerWaalsContact CZ3-CG 3.46Å; W46-D199 WeakPolarHBondContact CZ3-OD2 3.43Å; K49-D199 IonicContact NZ-OD2 2.59Å; D199-N201 PolarHBondContact O-N 3.19Å; D199-N201 VanDerWaalsContact O-N 3.1Å; D199-N201 WeakPolarHBondContact OD1-CB 3.44Å; D199-N201 PolarHBondContact OD1-N 3.39Å; D199-N201 PolarHBondContact OD1-ND2 2.65Å; D199-L202 VanDerWaalsContact O-CB 3.22Å; D199-L202 WeakPolarHBondContact O-CB 3.43Å; D199-L202 PolarHBondContact O-N 3.19Å
200D91.3Very high92.5Very high135 Ų13546 Ų4672%0.72229%0.285SS*.THydrogen-bonded Turntrans-58.2-25.4-178.8-79.8-33.5000113.3L202D200-L202 VanDerWaalsContact C-N 3.33Å
201N91.8Very high92.4Very high101 Ų10147 Ų4754%0.5429%0.291SS..THydrogen-bonded Turntrans-85.1-6.1179.4-57-71.5000113.1W46 D199 A203W46-N201 HydrophobicContact CD2-CB 3.44Å; W46-N201 VanDerWaalsContact CD2-CB 3.44Å; W46-N201 HydrophobicContact CE3-CB 3.8Å; W46-N201 HydrophobicContact CG-CB 3.95Å; W46-N201 HydrophobicContact CH2-CB 4.01Å; W46-N201 HydrophobicContact CZ2-CB 3.68Å; W46-N201 WeakPolarHBondContact CZ2-O 3.48Å; W46-N201 HydrophobicContact CZ3-CB 4.05Å; W46-N201 PolarHBondContact NE1-O 3.38Å; D199-N201 PolarHBondContact O-N 3.19Å; D199-N201 VanDerWaalsContact O-N 3.1Å; D199-N201 WeakPolarHBondContact OD1-CB 3.44Å; D199-N201 PolarHBondContact OD1-N 3.39Å; D199-N201 PolarHBondContact OD1-ND2 2.65Å; N201-A203 PolarHBondContact O-N 3.13Å
202L90.1Very high92.4Very high14 Ų1445.9 Ų45.97%0.07327%0.273CS..SBendtrans-68.7128.3-179.9-168.568.3000111.1W46 M53 P181 M196 P198 D199 D200 L206 T207W46-L202 HydrophobicContact CZ2-CB 4.32Å; W46-L202 HydrophobicContact CZ2-CD1 4.34Å; M53-L202 HydrophobicContact CE-CD1 4.26Å; M53-L202 HydrophobicContact SD-CD1 4.3Å; P181-L202 HydrophobicContact CG-CD1 4.47Å; P181-L202 HydrophobicContact CG-CD2 4Å; M196-L202 HydrophobicContact CE-CD2 3.8Å; P198-L202 HydrophobicContact CB-CB 4.21Å; P198-L202 HydrophobicContact CB-CD2 3.62Å; D199-L202 VanDerWaalsContact O-CB 3.22Å; D199-L202 WeakPolarHBondContact O-CB 3.43Å; D199-L202 PolarHBondContact O-N 3.19Å; D200-L202 VanDerWaalsContact C-N 3.33Å; L202-L206 HydrophobicContact CD1-CB 4.29Å; L202-L206 HydrophobicContact CD1-CD1 3.85Å; L202-L206 HydrophobicContact CD2-CB 4.49Å; L202-L206 HydrophobicContact CG-CB 4.24Å; L202-T207 HydrophobicContact CD2-CG2 3.94Å; L202-T207 HydrophobicContact CG-CG2 4.43Å
203A87.4Confident92.2Very high41 Ų4152.2 Ų52.234%0.33930%0.297SS..  trans-57.5131.9-179.200000110.9N201 S205 L206N201-A203 PolarHBondContact O-N 3.13Å; A203-S205 PolarHBondContact O-N 3.36Å; A203-L206 HydrophobicContact CB-CD1 4.26Å; A203-L206 HydrophobicContact CB-CG 4.32Å; A203-L206 WeakPolarHBondContact O-CB 3.33Å; A203-L206 PolarHBondContact O-N 2.98Å
204P85.2Confident92.2Very high95 Ų9552.2 Ų52.262%0.61730%0.297SS*.G310 helixtrans-55.6-29.8-178.2-29.535.4000114.3L206 T207P204-L206 PolarHBondContact O-N 3.09Å; P204-T207 PolarHBondContact O-N 2.92Å; P204-T207 VanDerWaalsContact O-N 3.15Å; P204-T207 PolarHBondContact O-OG1 3.17Å
205S86.7Confident92.1Very high73 Ų7359.6 Ų59.651%0.5133%0.329SS..G310 helixtrans-61.6-27.8175.353.40000113.7A203 T207 Q208A203-S205 PolarHBondContact O-N 3.36Å; S205-T207 VanDerWaalsContact C-N 3.33Å; S205-Q208 WeakPolarHBondContact O-CG 3.15Å
206L85.6Confident92Very high89 Ų8960.7 Ų60.747%0.46634%0.337SS..G310 helixtrans-85.7-6.7178.6-60.7176.9000113.2P181 L202 A203 P204P181-L206 HydrophobicContact CG-CB 3.99Å; L202-L206 HydrophobicContact CD1-CB 4.29Å; L202-L206 HydrophobicContact CD1-CD1 3.85Å; L202-L206 HydrophobicContact CD2-CB 4.49Å; L202-L206 HydrophobicContact CG-CB 4.24Å; A203-L206 HydrophobicContact CB-CD1 4.26Å; A203-L206 HydrophobicContact CB-CG 4.32Å; A203-L206 WeakPolarHBondContact O-CB 3.33Å; A203-L206 PolarHBondContact O-N 2.98Å; P204-L206 PolarHBondContact O-N 3.09Å
207T84.3Confident92Very high11 Ų1161 Ų617%0.06734%0.338CS..G310 helixtrans-96.93.817769.50000113M196 P198 L202 P204 S205 R213M196-T207 HydrophobicContact CE-CG2 4.18Å; M196-T207 HydrophobicContact SD-CG2 3.93Å; P198-T207 HydrophobicContact CB-CG2 4.25Å; P198-T207 HydrophobicContact CG-CG2 4Å; L202-T207 HydrophobicContact CD2-CG2 3.94Å; L202-T207 HydrophobicContact CG-CG2 4.43Å; P204-T207 PolarHBondContact O-N 2.92Å; P204-T207 VanDerWaalsContact O-N 3.15Å; P204-T207 PolarHBondContact O-OG1 3.17Å; S205-T207 VanDerWaalsContact C-N 3.33Å; T207-R213 PolarHBondContact OG1-NH1 3.21Å
208Q82.4Confident92Very high152 Ų15265.7 Ų65.771%0.7136%0.36SS*.THydrogen-bonded Turntrans-68.8140.8-178.2-65.8-178.99.900111.2S205S205-Q208 WeakPolarHBondContact O-CG 3.15Å
209G86.8Confident92.1Very high51 Ų5169.8 Ų69.853%0.52638%0.377SS..THydrogen-bonded Turntrans98.3-17.3175.400000115L188L188-G209 WeakPolarHBondContact CD1-O 3.42Å
210A94.9Very high92.4Very high23 Ų2367.4 Ų67.419%0.1936%0.364CS..  trans-61142.5172.500000111.4V184 V194 M196V184-A210 HydrophobicContact CG1-CB 4.22Å; V194-A210 HydrophobicContact CG1-CB 4.37Å; M196-A210 HydrophobicContact CB-CB 3.6Å; M196-A210 HydrophobicContact SD-CB 4.43Å
211T97.1Very high92.7Very high31 Ų3163.9 Ų63.919%0.1935%0.346CS..SBendtrans-67.6-42.8178.8-49.40000110.9Y8 Q193 V194 F225Y8-T211 HydrophobicContact CD1-CG2 3.81Å; Y8-T211 HydrophobicContact CE1-CG2 4.07Å; Q193-T211 HydrophobicContact CB-CG2 4.3Å; Q193-T211 HydrophobicContact CG-CG2 4.27Å; V194-T211 PolarHBondContact N-OG1 2.87Å; V194-T211 WeakPolarHBondContact O-CA 3.22Å; V194-T211 VanDerWaalsContact O-CB 3.24Å; V194-T211 WeakPolarHBondContact O-CB 3.47Å; V194-T211 PolarHBondContact O-N 2.99Å; T211-F225 HydrophobicContact CG2-CE1 4.03Å; T211-F225 HydrophobicContact CG2-CZ 4.25Å
212L96.7Very high93Very high23 Ų2359.1 Ų59.112%0.1232%0.32CS..EExtended strand (participates in β ladder)trans-137.9141.7174.9174.462.7000108.5Y8 V194 V195 M196 L214 F220 L224 F225Y8-L212 HydrophobicContact CE1-CB 4.29Å; V194-L212 PolarHBondContact O-N 2.92Å; V195-L212 CarbonylContact C-O 3.54Å; V195-L212 WeakPolarHBondContact CA-O 3.42Å; V195-L212 HydrophobicContact CG1-CB 4.49Å; V195-L212 HydrophobicContact CG1-CD2 4.35Å; V195-L212 HydrophobicContact CG1-CG 4.39Å; V195-L212 HydrophobicContact CG2-CB 4.34Å; V195-L212 HydrophobicContact CG2-CD2 4.38Å; M196-L212 PolarHBondContact N-O 3.36Å; L212-L214 HydrophobicContact CD1-CD2 4.05Å; L212-L214 HydrophobicContact CD2-CD1 4.18Å; L212-L214 HydrophobicContact CD2-CD2 4.03Å; L212-L214 HydrophobicContact CD2-CG 4.15Å; L212-L214 HydrophobicContact CG-CD2 3.99Å; L212-L214 HydrophobicContact CG-CG 4.06Å; L212-F220 HydrophobicContact CD2-CD2 4.36Å; L212-L224 HydrophobicContact CD2-CD1 4.1Å; L212-F225 HydrophobicContact CB-CE2 4.49Å; L212-F225 HydrophobicContact CB-CZ 4.19Å; L212-F225 HydrophobicContact CD2-CE2 3.92Å; L212-F225 HydrophobicContact CD2-CZ 4.43Å
213R96.4Very high93.4Very high142 Ų14264.3 Ų64.354%0.53634%0.344SS..EExtended strand (participates in β ladder)trans-119.7130.8172.7-171.7-175.970.6-165.32109.5M196 P198 T207M196-R213 WeakPolarHBondContact O-CA 3.41Å; P198-R213 HydrophobicContact CG-CG 4.35Å; T207-R213 PolarHBondContact OG1-NH1 3.21Å
214L96.9Very high93.8Very high20 Ų2065.4 Ų65.411%0.10534%0.344CS..  trans-126.3162.4178.8-57.3175.3000109.9V195 M196 I197 L212 E219 F220V195-L214 HydrophobicContact CG1-CD1 3.74Å; V195-L214 HydrophobicContact CG1-CG 4.09Å; M196-L214 PolarHBondContact O-N 3.02Å; I197-L214 HydrophobicContact CG1-CB 4.33Å; L212-L214 HydrophobicContact CD1-CD2 4.05Å; L212-L214 HydrophobicContact CD2-CD1 4.18Å; L212-L214 HydrophobicContact CD2-CD2 4.03Å; L212-L214 HydrophobicContact CD2-CG 4.15Å; L212-L214 HydrophobicContact CG-CD2 3.99Å; L212-L214 HydrophobicContact CG-CG 4.06Å; L214-E219 HydrophobicContact CB-CB 4.41Å; L214-E219 HydrophobicContact CD1-CB 4.45Å; L214-E219 HydrophobicContact CD2-CB 4.02Å; L214-F220 HydrophobicContact CD1-CB 3.73Å; L214-F220 HydrophobicContact CD1-CD2 4.13Å; L214-F220 HydrophobicContact CD1-CG 4.44Å
215K96.1Very high94.5Very high155 Ų15560.9 Ų60.967%0.67431%0.314SS*.SBendtrans-90.7-25.9171-65.9-174.6174.1-171.10112.9E219K215-E219 PolarHBondContact N-OE2 3.2Å
216S97.8Very high95Very high22 Ų2259.9 Ų59.915%0.15432%0.316CS..SBendtrans-147.2151.7-179173.90000109.6E218 E219S216-E218 PolarHBondContact O-N 3.27Å; S216-E218 WeakPolarHBondContact OG-CB 3.5Å; S216-E218 WeakPolarHBondContact OG-CG 3.2Å; S216-E218 PolarHBondContact OG-N 3.48Å; S216-E218 VanDerWaalsContact OG-N 3.16Å; S216-E218 PolarHBondContact OG-OE2 3.08Å; S216-E219 WeakPolarHBondContact O-CB 3.06Å; S216-E219 PolarHBondContact O-N 2.82Å; S216-E219 VanDerWaalsContact O-N 3.11Å
217M97.8Very high95.6Very high6 Ų656 Ų563%0.0330%0.295CS..G310 helixtrans-65.4-17.9173.2-164.4174.2-70.200111.4F16 L21 L22 P96 V98 L101 F177 I197 E219 F220F16-M217 HydrophobicContact CD1-CE 4.2Å; F16-M217 HydrophobicContact CE1-CE 4.11Å; F16-M217 HydrophobicContact CE1-SD 4.27Å; L21-M217 HydrophobicContact CD1-CE 4.1Å; L21-M217 HydrophobicContact CG-CE 4.08Å; L22-M217 HydrophobicContact CD2-CE 4.48Å; P96-M217 WeakPolarHBondContact O-CB 3.45Å; V98-M217 HydrophobicContact CB-SD 4.29Å; V98-M217 HydrophobicContact CG2-CE 3.98Å; V98-M217 HydrophobicContact CG2-SD 3.83Å; L101-M217 HydrophobicContact CB-CG 4.25Å; L101-M217 HydrophobicContact CB-SD 4Å; L101-M217 HydrophobicContact CD2-CG 3.64Å; L101-M217 HydrophobicContact CD2-SD 3.64Å; L101-M217 HydrophobicContact CG-SD 4.39Å; F177-M217 HydrophobicContact CD1-CE 4.3Å; I197-M217 HydrophobicContact CD1-CB 3.8Å; I197-M217 HydrophobicContact CD1-CE 4.23Å; I197-M217 HydrophobicContact CD1-CG 4.26Å; M217-E219 PolarHBondContact O-N 3.05Å; M217-F220 WeakPolarHBondContact O-CB 3.47Å; M217-F220 PolarHBondContact O-N 2.85Å
218E98Very high96.2Very high120 Ų12057.7 Ų57.756%0.56131%0.307SS*.G310 helixtrans-65.4-25.7173.4-63.2172.9116.200113.5P96 S216 F220P96-E218 HydrophobicContact CB-CG 4.18Å; P96-E218 WeakPolarHBondContact CB-OE2 3.37Å; S216-E218 PolarHBondContact O-N 3.27Å; S216-E218 WeakPolarHBondContact OG-CB 3.5Å; S216-E218 WeakPolarHBondContact OG-CG 3.2Å; S216-E218 PolarHBondContact OG-N 3.48Å; S216-E218 VanDerWaalsContact OG-N 3.16Å; S216-E218 PolarHBondContact OG-OE2 3.08Å; E218-F220 VanDerWaalsContact C-N 3.3Å
219E98.1Very high97Very high106 Ų10652.5 Ų52.550%0.49529%0.289SS..G310 helixtrans-82.6-8.1179.7-61-179.4161.500112.8L214 K215 S216 M217 D221L214-E219 HydrophobicContact CB-CB 4.41Å; L214-E219 HydrophobicContact CD1-CB 4.45Å; L214-E219 HydrophobicContact CD2-CB 4.02Å; K215-E219 PolarHBondContact N-OE2 3.2Å; S216-E219 WeakPolarHBondContact O-CB 3.06Å; S216-E219 PolarHBondContact O-N 2.82Å; S216-E219 VanDerWaalsContact O-N 3.11Å; M217-E219 PolarHBondContact O-N 3.05Å; E219-D221 PolarHBondContact O-N 3.15Å
220F98.4Very high97.4Very high5 Ų552.6 Ų52.62%0.02228%0.275CS..  trans-67.1124.8-176.6178.9-112.9000110.7L101 L175 F177 V195 L212 L214 M217 E218 P222 F225 L227 F230L101-F220 HydrophobicContact CD1-CD1 3.8Å; L101-F220 HydrophobicContact CD1-CE1 4Å; L101-F220 HydrophobicContact CD2-CD1 4.01Å; L101-F220 HydrophobicContact CD2-CE1 4.47Å; L175-F220 HydrophobicContact CD2-CE2 4.04Å; L175-F220 HydrophobicContact CD2-CZ 3.79Å; F177-F220 HydrophobicContact CE1-CB 4.46Å; F177-F220 HydrophobicContact CE1-CD1 4.39Å; F177-F220 AromaticContact CE1-CD2 3.93Å; F177-F220 HydrophobicContact CE1-CD2 3.93Å; F177-F220 HydrophobicContact CE1-CE2 4.26Å; F177-F220 AromaticContact CE1-CG 4Å; F177-F220 HydrophobicContact CE1-CG 4Å; F177-F220 HydrophobicContact CE2-CZ 4.36Å; F177-F220 AromaticContact CZ-CD1 3.88Å; F177-F220 HydrophobicContact CZ-CD1 3.88Å; F177-F220 AromaticContact CZ-CD2 3.72Å; F177-F220 HydrophobicContact CZ-CD2 3.72Å; F177-F220 AromaticContact CZ-CE1 3.78Å; F177-F220 HydrophobicContact CZ-CE1 3.78Å; F177-F220 AromaticContact CZ-CE2 3.62Å; F177-F220 HydrophobicContact CZ-CE2 3.62Å; F177-F220 AromaticContact CZ-CG 3.85Å; F177-F220 HydrophobicContact CZ-CG 3.85Å; F177-F220 AromaticContact CZ-CZ 3.66Å; F177-F220 HydrophobicContact CZ-CZ 3.66Å; V195-F220 HydrophobicContact CG2-CD2 4.29Å; V195-F220 HydrophobicContact CG2-CE2 3.97Å; L212-F220 HydrophobicContact CD2-CD2 4.36Å; L214-F220 HydrophobicContact CD1-CB 3.73Å; L214-F220 HydrophobicContact CD1-CD2 4.13Å; L214-F220 HydrophobicContact CD1-CG 4.44Å; M217-F220 WeakPolarHBondContact O-CB 3.47Å; M217-F220 PolarHBondContact O-N 2.85Å; E218-F220 VanDerWaalsContact C-N 3.3Å; F220-P222 HydrophobicContact CD1-CG 4.02Å; F220-P222 HydrophobicContact CE1-CB 3.92Å; F220-P222 HydrophobicContact CE1-CG 3.85Å; F220-P222 WeakPolarHBondContact O-CD 3.5Å; F220-F225 AromaticContact CE2-CD2 3.69Å; F220-F225 HydrophobicContact CE2-CD2 3.69Å; F220-F225 AromaticContact CE2-CE2 3.81Å; F220-F225 HydrophobicContact CE2-CE2 3.81Å; F220-F225 AromaticContact CZ-CD2 3.99Å; F220-F225 HydrophobicContact CZ-CD2 3.99Å; F220-L227 HydrophobicContact CZ-CD1 4.44Å; F220-F230 VanDerWaalsContact O-CE2 3.23Å; F220-F230 WeakPolarHBondContact O-CE2 3.5Å
221D98Very high96.7Very high62 Ų6258.5 Ų58.533%0.33232%0.316SS..  trans-100.1108.9168.6176.69.1000109.6E219 Q223 L224E219-D221 PolarHBondContact O-N 3.15Å; D221-Q223 PolarHBondContact O-N 3.37Å; D221-Q223 WeakPolarHBondContact OD1-CB 3.35Å; D221-Q223 PolarHBondContact OD1-N 3.09Å; D221-L224 HydrophobicContact CB-CD1 4.06Å; D221-L224 HydrophobicContact CB-CG 3.96Å; D221-L224 WeakPolarHBondContact O-CB 3.25Å; D221-L224 PolarHBondContact O-N 3.43Å
222P98.1Very high96.7Very high0 Ų059.9 Ų59.90%032%0.322CS..G310 helixtrans-60.1-27.3179.5-20.631.5000113.6F220 L224 F225 L227 P228 F230F220-P222 HydrophobicContact CD1-CG 4.02Å; F220-P222 HydrophobicContact CE1-CB 3.92Å; F220-P222 HydrophobicContact CE1-CG 3.85Å; F220-P222 WeakPolarHBondContact O-CD 3.5Å; P222-L224 PolarHBondContact O-N 3.21Å; P222-F225 PolarHBondContact O-N 2.73Å; P222-F225 VanDerWaalsContact O-N 3.12Å; P222-L227 HydrophobicContact CB-CB 3.68Å; P222-L227 WeakPolarHBondContact O-CB 3.29Å; P222-L227 PolarHBondContact O-N 2.91Å; P222-P228 WeakPolarHBondContact CB-O 3.29Å; P222-F230 HydrophobicContact CG-CD2 4.13Å; P222-F230 HydrophobicContact CG-CE1 4.28Å; P222-F230 HydrophobicContact CG-CE2 3.9Å; P222-F230 HydrophobicContact CG-CG 4.45Å; P222-F230 HydrophobicContact CG-CZ 3.97Å
223Q97.6Very high96.7Very high123 Ų12361.8 Ų61.858%0.57533%0.332SS*.G310 helixtrans-66.4-27.4-176.2-60.2-168.2-62.700112.5D221 F225 G226 A229D221-Q223 PolarHBondContact O-N 3.37Å; D221-Q223 WeakPolarHBondContact OD1-CB 3.35Å; D221-Q223 PolarHBondContact OD1-N 3.09Å; Q223-F225 PolarHBondContact O-N 3.35Å; Q223-F225 VanDerWaalsContact O-N 3.15Å; Q223-G226 PolarHBondContact O-N 2.88Å; Q223-A229 HydrophobicContact CG-CB 3.76Å
224L97.6Very high96.7Very high65 Ų6557.4 Ų57.434%0.3432%0.321SS..G310 helixtrans-54.7-33.9174.8-64.1179.8000111.8Y8 L212 D221 P222Y8-L224 WeakPolarHBondContact CB-O 3.42Å; Y8-L224 HydrophobicContact CD2-CB 3.73Å; Y8-L224 HydrophobicContact CD2-CD1 4.43Å; Y8-L224 HydrophobicContact CD2-CD2 4Å; Y8-L224 HydrophobicContact CD2-CG 4.27Å; Y8-L224 HydrophobicContact CE2-CB 4.15Å; Y8-L224 HydrophobicContact CE2-CD1 4Å; Y8-L224 HydrophobicContact CE2-CD2 3.93Å; Y8-L224 HydrophobicContact CE2-CG 4.25Å; Y8-L224 HydrophobicContact CG-CB 4.35Å; L212-L224 HydrophobicContact CD2-CD1 4.1Å; D221-L224 HydrophobicContact CB-CD1 4.06Å; D221-L224 HydrophobicContact CB-CG 3.96Å; D221-L224 WeakPolarHBondContact O-CB 3.25Å; D221-L224 PolarHBondContact O-N 3.43Å; P222-L224 PolarHBondContact O-N 3.21Å
225F98.3Very high96.6Very high0 Ų059.6 Ų59.60%033%0.334CS..G310 helixtrans-107.319.4-179.2-62.3-87.3000112.8Y8 P10 V11 L175 Q193 V195 T211 L212 F220 P222 Q223 L227Y8-F225 AromaticContact CD1-CE1 3.82Å; Y8-F225 HydrophobicContact CD1-CE1 3.82Å; Y8-F225 HydrophobicContact CD1-CE2 4.45Å; Y8-F225 AromaticContact CD1-CZ 3.69Å; Y8-F225 HydrophobicContact CD1-CZ 3.69Å; Y8-F225 HydrophobicContact CE1-CZ 4.16Å; Y8-F225 HydrophobicContact CG-CE1 4.19Å; Y8-F225 HydrophobicContact CG-CZ 4.17Å; P10-F225 VanDerWaalsContact CA-O 3.29Å; P10-F225 WeakPolarHBondContact CA-O 3.15Å; V11-F225 HydrophobicContact CG1-CD1 4.44Å; V11-F225 HydrophobicContact CG2-CB 3.81Å; V11-F225 PolarHBondContact N-O 2.74Å; L175-F225 HydrophobicContact CD1-CD1 3.77Å; L175-F225 HydrophobicContact CD1-CE1 3.62Å; L175-F225 HydrophobicContact CD1-CE2 4.41Å; L175-F225 HydrophobicContact CD1-CG 4.24Å; L175-F225 HydrophobicContact CD1-CZ 3.96Å; L175-F225 HydrophobicContact CD2-CB 4.21Å; L175-F225 HydrophobicContact CD2-CD1 4.22Å; L175-F225 HydrophobicContact CD2-CD2 3.88Å; L175-F225 HydrophobicContact CD2-CE2 4.3Å; L175-F225 HydrophobicContact CD2-CG 3.83Å; Q193-F225 HydrophobicContact CB-CE1 4.26Å; V195-F225 HydrophobicContact CG2-CE2 4.09Å; V195-F225 HydrophobicContact CG2-CZ 4.19Å; T211-F225 HydrophobicContact CG2-CE1 4.03Å; T211-F225 HydrophobicContact CG2-CZ 4.25Å; L212-F225 HydrophobicContact CB-CE2 4.49Å; L212-F225 HydrophobicContact CB-CZ 4.19Å; L212-F225 HydrophobicContact CD2-CE2 3.92Å; L212-F225 HydrophobicContact CD2-CZ 4.43Å; F220-F225 AromaticContact CE2-CD2 3.69Å; F220-F225 HydrophobicContact CE2-CD2 3.69Å; F220-F225 AromaticContact CE2-CE2 3.81Å; F220-F225 HydrophobicContact CE2-CE2 3.81Å; F220-F225 AromaticContact CZ-CD2 3.99Å; F220-F225 HydrophobicContact CZ-CD2 3.99Å; P222-F225 PolarHBondContact O-N 2.73Å; P222-F225 VanDerWaalsContact O-N 3.12Å; Q223-F225 PolarHBondContact O-N 3.35Å; Q223-F225 VanDerWaalsContact O-N 3.15Å; F225-L227 PolarHBondContact O-N 3.4Å
226G97.8Very high96.7Very high52 Ų5253.6 Ų53.654%0.53631%0.313SS..THydrogen-bonded Turntrans69.916.217900000114.6Q223Q223-G226 PolarHBondContact O-N 2.88Å
227L98.3Very high96.6Very high7 Ų755.7 Ų55.74%0.03732%0.323CS..PPolyproline II helixtrans-85.2158.1173.2-60.9172.8000110.3V11 V14 L105 I110 F220 P222 F225 A229V11-L227 HydrophobicContact CG2-CD1 4.07Å; V11-L227 HydrophobicContact CG2-CD2 3.99Å; V11-L227 HydrophobicContact CG2-CG 3.95Å; V14-L227 HydrophobicContact CG2-CD1 4.14Å; L105-L227 HydrophobicContact CD2-CD1 4.11Å; I110-L227 HydrophobicContact CD1-CD2 4.03Å; I110-L227 HydrophobicContact CG1-CD2 4.24Å; I110-L227 HydrophobicContact CG2-CD2 4.1Å; F220-L227 HydrophobicContact CZ-CD1 4.44Å; P222-L227 HydrophobicContact CB-CB 3.68Å; P222-L227 WeakPolarHBondContact O-CB 3.29Å; P222-L227 PolarHBondContact O-N 2.91Å; F225-L227 PolarHBondContact O-N 3.4Å; L227-A229 PolarHBondContact O-N 3.07Å
228P98.1Very high96.5Very high47 Ų4759.3 Ų59.331%0.30534%0.344SS..PPolyproline II helixtrans-59.3138.2178-26.537.6000112.5H104 H108 P222H104-P228 PolarHBondContact NE2-O 2.94Å; H108-P228 HydrophobicContact CB-CB 4.38Å; H108-P228 HydrophobicContact CB-CG 3.96Å; H108-P228 WeakPolarHBondContact ND1-CB 3.45Å; P222-P228 WeakPolarHBondContact CB-O 3.29Å
229A97.3Very high96.4Very high42 Ų4254.6 Ų54.635%0.34733%0.327SS..PPolyproline II helixtrans-60.5149.1174.600000112.1H104 Q223 L227 S231H104-A229 PolarHBondContact CE1-O 2.94Å; Q223-A229 HydrophobicContact CG-CB 3.76Å; L227-A229 PolarHBondContact O-N 3.07Å; A229-S231 PolarHBondContact O-N 2.92Å
230F95.7Very high96.3Very high53 Ų5350.3 Ų50.323%0.23231%0.313CS..PPolyproline II helixtrans-57137.6166.5-69.2-56.1000110.5K100 L101 H104 F220 P222K100-F230 HydrophobicContact CD-CE1 4.41Å; K100-F230 HydrophobicContact CD-CZ 4.45Å; K100-F230 HydrophobicContact CG-CD1 4.46Å; K100-F230 HydrophobicContact CG-CE1 4.08Å; K100-F230 HydrophobicContact CG-CZ 4.47Å; L101-F230 HydrophobicContact CD1-CE1 4.24Å; L101-F230 HydrophobicContact CD1-CZ 4Å; H104-F230 HydrophobicContact CB-CD1 3.9Å; H104-F230 HydrophobicContact CB-CE1 3.67Å; H104-F230 AromaticContact CD2-CD1 3.69Å; H104-F230 AromaticContact CD2-CE1 3.65Å; H104-F230 AromaticContact CG-CD1 3.47Å; H104-F230 VanDerWaalsContact CG-CD1 3.47Å; H104-F230 AromaticContact CG-CE1 3.59Å; H104-F230 AromaticContact ND1-CD1 3.72Å; F220-F230 VanDerWaalsContact O-CE2 3.23Å; F220-F230 WeakPolarHBondContact O-CE2 3.5Å; P222-F230 HydrophobicContact CG-CD2 4.13Å; P222-F230 HydrophobicContact CG-CE1 4.28Å; P222-F230 HydrophobicContact CG-CE2 3.9Å; P222-F230 HydrophobicContact CG-CG 4.45Å; P222-F230 HydrophobicContact CG-CZ 3.97Å
231S80.2Confident96.1Very high148 Ų14854.5 Ų54.5100%1.03534%0.34SS*.  trans-85.80171.660.70000112K107 A229K107-S231 PolarHBondContact NZ-OG 2.66Å; A229-S231 PolarHBondContact O-N 2.92Å

Retrieved 231 of 231 residues in 229 ms (Link to these results)

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