A0A087XBN8_POEFO Loading...

Lipid droplet-regulating VLDL assembly factor AUP1

AlphaFold DB , UniProt , Accession A0A087XBN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M38.9Very low69.9Low230 Ų23091 Ų91100%1.13346%0.463SS*.  01060-112.7171.6166.900106.2T3M1-T3 PolarHBondContact O-N 3.42Å
2E36Very low71.3Confident191 Ų19190.5 Ų90.589%0.89346%0.455SS*.  trans-54.4123.9173.9-76172.4143.900108.5R4E2-R4 PolarHBondContact O-N 3.47Å
3T46.3Very low72.6Confident140 Ų14097.8 Ų97.886%0.85947%0.474SS*.  trans-64.292.8168.144.60000107M1 G5M1-T3 PolarHBondContact O-N 3.42Å; T3-G5 PolarHBondContact O-N 3.15Å
4R58.7Low73.8Confident149 Ų14992.4 Ų92.456%0.56245%0.446SS*.  trans-48.8130.3169.6-75.7-176.9176.6173.8-3108E2 D8E2-R4 PolarHBondContact O-N 3.47Å; R4-D8 HydrophobicContact CB-CB 4.47Å
5G68.9Low75Confident35 Ų3593.1 Ų93.136%0.36145%0.447SS..  trans-66.2155.1-173.200000110.5T3 E7 D8T3-G5 PolarHBondContact O-N 3.15Å; G5-E7 PolarHBondContact O-N 3.27Å; G5-D8 PolarHBondContact N-OD2 2.9Å; G5-D8 PolarHBondContact O-N 2.86Å
6I81.1Confident75.8Confident34 Ų3489.4 Ų89.417%0.17443%0.432CS..G310 helixtrans-48.9-26.4169.3-170.1162.3000112.5D8 M9 F10 I257 H265I6-D8 VanDerWaalsContact C-N 3.34Å; I6-D8 PolarHBondContact O-N 3.5Å; I6-M9 PolarHBondContact O-N 2.71Å; I6-F10 HydrophobicContact CD1-CE2 4.45Å; I6-F10 HydrophobicContact CG1-CD2 4.35Å; I6-F10 HydrophobicContact CG1-CE2 3.66Å; I6-F10 WeakPolarHBondContact O-CD2 3.48Å; I6-F10 WeakPolarHBondContact O-CE2 3.43Å; I6-I257 HydrophobicContact CB-CD1 3.94Å; I6-I257 HydrophobicContact CD1-CD1 4.45Å; I6-I257 HydrophobicContact CD1-CG2 3.62Å; I6-I257 HydrophobicContact CG1-CD1 4.11Å; I6-I257 HydrophobicContact CG1-CG2 4.08Å; I6-H265 HydrophobicContact CD1-CB 3.85Å
7E83.4Confident76.5Confident98 Ų9895.6 Ų95.646%0.45846%0.457SS..G310 helixtrans-67.2-30.5178.1-48.2-158.3151.700113.8G5 M9 F10 F12 H265 K269G5-E7 PolarHBondContact O-N 3.27Å; E7-M9 PolarHBondContact O-N 2.78Å; E7-F10 PolarHBondContact O-N 2.97Å; E7-F10 VanDerWaalsContact O-O 3.09Å; E7-F12 HydrophobicContact CB-CE2 4.37Å; E7-H265 IonicContact OE1-CE1 2.76Å; E7-K269 WeakPolarHBondContact OE1-CE 3.45Å; E7-K269 IonicContact OE1-NZ 2.82Å; E7-K269 PolarHBondContact OE1-NZ 2.7Å; E7-K269 IonicContact OE2-NZ 2.66Å
8D87.3Confident77.3Confident86 Ų8695.3 Ų95.346%0.4646%0.458SS..G310 helixtrans-74.9-17.2-178.5-64.3-38.3000112R4 G5 I6 N164 A167R4-D8 HydrophobicContact CB-CB 4.47Å; G5-D8 PolarHBondContact N-OD2 2.9Å; G5-D8 PolarHBondContact O-N 2.86Å; I6-D8 VanDerWaalsContact C-N 3.34Å; I6-D8 PolarHBondContact O-N 3.5Å; D8-N164 PolarHBondContact O-ND2 3.37Å; D8-A167 VanDerWaalsContact C-CB 3.5Å; D8-A167 HydrophobicContact CB-CB 3.78Å; D8-A167 WeakPolarHBondContact O-CB 3.31Å
9M88.8Confident78Confident3 Ų394.3 Ų94.32%0.01547%0.467CS..G310 helixtrans-82.9-11.9-179.2-63.3-179.965.800113.4I6 E7 T163 N164 A167 L170 T255 I257I6-M9 PolarHBondContact O-N 2.71Å; E7-M9 PolarHBondContact O-N 2.78Å; M9-T163 HydrophobicContact CE-CG2 4.23Å; M9-N164 VanDerWaalsContact C-CG 3.44Å; M9-N164 WeakPolarHBondContact O-CB 3.32Å; M9-N164 PolarHBondContact O-N 3.09Å; M9-N164 PolarHBondContact O-OD1 3.39Å; M9-A167 HydrophobicContact CG-CB 4.25Å; M9-L170 HydrophobicContact CE-CD2 3.86Å; M9-L170 HydrophobicContact CE-CG 4.07Å; M9-T255 HydrophobicContact CE-CG2 4.04Å; M9-T255 HydrophobicContact SD-CG2 3.71Å; M9-I257 HydrophobicContact SD-CD1 3.69Å
10F90.4Very high78.8Confident11 Ų1194.2 Ų94.25%0.04847%0.471CS..SBendtrans-135.2144.8-173.1-49.2-63.1000112.7I6 E7 F12 T163 N164 L170 I200 K262I6-F10 HydrophobicContact CD1-CE2 4.45Å; I6-F10 HydrophobicContact CG1-CD2 4.35Å; I6-F10 HydrophobicContact CG1-CE2 3.66Å; I6-F10 WeakPolarHBondContact O-CD2 3.48Å; I6-F10 WeakPolarHBondContact O-CE2 3.43Å; E7-F10 PolarHBondContact O-N 2.97Å; E7-F10 VanDerWaalsContact O-O 3.09Å; F10-F12 HydrophobicContact CB-CE2 4.45Å; F10-T163 HydrophobicContact CE1-CG2 4.26Å; F10-N164 PolarHBondContact N-ND2 2.72Å; F10-L170 HydrophobicContact CZ-CD2 4.07Å; F10-I200 HydrophobicContact CB-CD1 3.59Å; F10-I200 HydrophobicContact CB-CG1 3.95Å; F10-I200 HydrophobicContact CG-CD1 4.2Å; F10-I200 HydrophobicContact CG-CG1 4.46Å; F10-K262 HydrophobicContact CD1-CD 4.15Å; F10-K262 HydrophobicContact CE1-CD 3.39Å; F10-K262 VanDerWaalsContact CE1-CE 3.44Å; F10-K262 HydrophobicContact CE1-CG 3.88Å; F10-K262 HydrophobicContact CE2-CB 4.25Å; F10-K262 HydrophobicContact CE2-CD 4.29Å; F10-K262 HydrophobicContact CE2-CG 3.83Å; F10-K262 HydrophobicContact CZ-CB 3.89Å; F10-K262 HydrophobicContact CZ-CD 3.48Å; F10-K262 VanDerWaalsContact CZ-CD 3.48Å; F10-K262 HydrophobicContact CZ-CG 3.47Å; F10-K262 VanDerWaalsContact CZ-CG 3.47Å
11D89.1Confident79.4Confident24 Ų2490.5 Ų90.513%0.12846%0.456CS..  trans-92.9113.5173.4-75.2-37000110.1R166 S196 S198 T199 I200D11-R166 IonicContact OD1-CZ 2.69Å; D11-R166 IonicContact OD1-NH2 2.95Å; D11-R166 PolarHBondContact OD1-NH2 3.34Å; D11-R166 IonicContact OD2-CZ 3.56Å; D11-R166 IonicContact OD2-NH1 3.39Å; D11-R166 PolarHBondContact OD2-NH1 2.98Å; D11-R166 IonicContact OD2-NH2 3.77Å; D11-R166 PolarHBondContact OD2-NH2 3.05Å; D11-S196 WeakPolarHBondContact OD2-CB 3.33Å; D11-S198 WeakPolarHBondContact CB-O 3.31Å; D11-T199 HydrophobicContact CB-CG2 4.48Å; D11-T199 WeakPolarHBondContact O-CA 3.46Å; D11-T199 WeakPolarHBondContact O-CB 3.31Å; D11-I200 PolarHBondContact O-N 2.77Å
12F87.2Confident82Confident85 Ų8583.5 Ų83.537%0.37342%0.423SS..SBendtrans-84.9-19.9172.2-65.7-90.3000112.3E7 F10 I200 H265 K269E7-F12 HydrophobicContact CB-CE2 4.37Å; F10-F12 HydrophobicContact CB-CE2 4.45Å; F12-I200 HydrophobicContact CD1-CD1 3.49Å; F12-I200 VanDerWaalsContact CD1-CD1 3.49Å; F12-I200 HydrophobicContact CD2-CD1 4.25Å; F12-I200 HydrophobicContact CE1-CD1 3.14Å; F12-I200 HydrophobicContact CE2-CD1 3.96Å; F12-I200 HydrophobicContact CG-CD1 4.03Å; F12-I200 HydrophobicContact CZ-CD1 3.41Å; F12-I200 VanDerWaalsContact CZ-CD1 3.41Å; F12-H265 AromaticContact CZ-NE2 3.89Å; F12-K269 HydrophobicContact CD1-CD 4.25Å; F12-K269 HydrophobicContact CE1-CD 3.47Å; F12-K269 VanDerWaalsContact CE1-CD 3.47Å; F12-K269 HydrophobicContact CZ-CD 3.74Å
13R87.7Confident84.7Confident186 Ų18680 Ų8070%0.70241%0.409SS*.  trans-124.8140.5179.6-63.1-172.4-176.2-161.20.7109.5S196R13-S196 PolarHBondContact O-OG 3.44Å
14R90.2Very high87Confident21 Ų2177.8 Ų77.88%0.07939%0.392CS..SBendtrans-82-36.5177.8-170.5147.2-61.8-132.9-5.3113L195 S196 T199 S202 D207 W210R14-L195 HydrophobicContact CG-CD2 4.22Å; R14-S196 PolarHBondContact O-N 2.99Å; R14-S196 VanDerWaalsContact O-N 3.14Å; R14-S196 PolarHBondContact O-OG 2.85Å; R14-T199 HydrophobicContact CB-CG2 3.96Å; R14-T199 VanDerWaalsContact NH2-N 3.12Å; R14-T199 PolarHBondContact NH2-OG1 3.41Å; R14-S202 PolarHBondContact NH2-OG 2.82Å; R14-D207 IonicContact CZ-OD1 2.63Å; R14-D207 IonicContact NH1-OD1 2.81Å; R14-D207 PolarHBondContact NH1-OD1 3.43Å; R14-D207 IonicContact NH2-OD1 2.69Å; R14-D207 PolarHBondContact NH2-OD1 3.48Å; R14-W210 VanDerWaalsContact CD-CE2 3.42Å
15F90.9Very high88.6Confident104 Ų10471.2 Ų71.246%0.45637%0.367SS..SBendtrans-86.9147.7-175.1-59.2-61.9000111.5L22 L25 L195 W210F15-L22 HydrophobicContact CB-CD1 4.33Å; F15-L25 HydrophobicContact CD1-CD2 3.48Å; F15-L25 VanDerWaalsContact CD1-CD2 3.48Å; F15-L25 HydrophobicContact CE1-CD2 3.94Å; F15-L195 HydrophobicContact CD1-CD2 3.94Å; F15-L195 HydrophobicContact CE1-CD2 4.18Å; F15-W210 AromaticContact CE1-CH2 3.79Å; F15-W210 HydrophobicContact CE1-CH2 3.79Å; F15-W210 HydrophobicContact CE1-CZ3 4.24Å; F15-W210 AromaticContact CZ-CH2 3.73Å; F15-W210 HydrophobicContact CZ-CH2 3.73Å; F15-W210 HydrophobicContact CZ-CZ2 4.19Å
16P88.7Confident89.9Confident33 Ų3375.1 Ų75.121%0.21438%0.38CS..  trans-66146.4178.829.1-32.2000109.8D18 A21 L22 L194P16-D18 VanDerWaalsContact C-N 3.29Å; P16-A21 HydrophobicContact CB-CB 3.77Å; P16-A21 HydrophobicContact CG-CB 3.71Å; P16-L22 HydrophobicContact CG-CB 4.44Å; P16-L194 VanDerWaalsContact CD-O 3.31Å; P16-L194 WeakPolarHBondContact CD-O 3.48Å
17K86.5Confident90.5Very high196 Ų19680 Ų8085%0.85241%0.405SS*.SBendtrans-74.7-25172.7-66.3-177.5-178176.30112.1
18D91.1Very high91.1Very high90 Ų9077.2 Ų77.248%0.48139%0.391SS..SBendtrans-71.9127.5-179.3176.251.9000111.2P16 V20 A21 L22P16-D18 VanDerWaalsContact C-N 3.29Å; D18-V20 VanDerWaalsContact C-N 3.31Å; D18-V20 PolarHBondContact O-N 3.21Å; D18-V20 WeakPolarHBondContact OD2-CB 3.38Å; D18-V20 PolarHBondContact OD2-N 2.57Å; D18-A21 HydrophobicContact CB-CB 4.03Å; D18-A21 PolarHBondContact O-N 3.2Å; D18-A21 WeakPolarHBondContact OD2-CB 3.49Å; D18-A21 PolarHBondContact OD2-N 2.95Å; D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 PolarHBondContact O-N 3.47Å
19A91.6Very high91.5Very high75 Ų7574.7 Ų74.762%0.6238%0.38SS*.Hα-helixtrans-66.9-33.7-175.400000112.1L22 L23A19-L22 PolarHBondContact O-N 2.85Å; A19-L23 WeakPolarHBondContact O-CB 3.47Å; A19-L23 PolarHBondContact O-N 2.83Å
20V92.8Very high91.9Very high92 Ų9278.2 Ų78.256%0.55840%0.403SS*.Hα-helixtrans-69.4-48177.6-179.40000110D18 L22 L23 L24D18-V20 VanDerWaalsContact C-N 3.31Å; D18-V20 PolarHBondContact O-N 3.21Å; D18-V20 WeakPolarHBondContact OD2-CB 3.38Å; D18-V20 PolarHBondContact OD2-N 2.57Å; V20-L22 VanDerWaalsContact C-N 3.25Å; V20-L22 PolarHBondContact O-N 3.39Å; V20-L23 PolarHBondContact O-N 3.42Å; V20-L24 HydrophobicContact CG1-CD1 4.33Å; V20-L24 WeakPolarHBondContact O-CG 3.29Å; V20-L24 PolarHBondContact O-N 3.34Å
21A91.2Very high92.2Very high17 Ų1781.7 Ų81.714%0.1443%0.425CS..Hα-helixtrans-58.9-37.6173.900000112.3P16 D18 L25 L194P16-A21 HydrophobicContact CB-CB 3.77Å; P16-A21 HydrophobicContact CG-CB 3.71Å; D18-A21 HydrophobicContact CB-CB 4.03Å; D18-A21 PolarHBondContact O-N 3.2Å; D18-A21 WeakPolarHBondContact OD2-CB 3.49Å; D18-A21 PolarHBondContact OD2-N 2.95Å; A21-L25 WeakPolarHBondContact O-CB 3.28Å; A21-L25 PolarHBondContact O-N 3.35Å; A21-L194 HydrophobicContact CB-CD2 4.42Å
22L93.4Very high92.6Very high84 Ų8480.5 Ų80.544%0.4442%0.419SS..Hα-helixtrans-66.9-42.2175.6-173.665.8000112.1F15 P16 D18 A19 V20 L25 L26F15-L22 HydrophobicContact CB-CD1 4.33Å; P16-L22 HydrophobicContact CG-CB 4.44Å; D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 PolarHBondContact O-N 3.47Å; A19-L22 PolarHBondContact O-N 2.85Å; V20-L22 VanDerWaalsContact C-N 3.25Å; V20-L22 PolarHBondContact O-N 3.39Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 3.42Å; L22-L26 PolarHBondContact O-N 3.43Å
23L93.8Very high93Very high116 Ų11680.4 Ų80.461%0.60742%0.421SS*.Hα-helixtrans-63-44.217517863.8000111.5A19 V20 L25 L26 L27A19-L23 WeakPolarHBondContact O-CB 3.47Å; A19-L23 PolarHBondContact O-N 2.83Å; V20-L23 PolarHBondContact O-N 3.42Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 2.89Å; L23-L27 PolarHBondContact O-N 2.88Å
24L93.6Very high93.5Very high94 Ų9475.7 Ų75.749%0.49242%0.416SS..Hα-helixtrans-60.5-41.3175.2-71.2174.2000111.5V20 L27 Y28 L194V20-L24 HydrophobicContact CG1-CD1 4.33Å; V20-L24 WeakPolarHBondContact O-CG 3.29Å; V20-L24 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 3.12Å; L24-Y28 VanDerWaalsContact O-CB 3.29Å; L24-Y28 WeakPolarHBondContact O-CB 3.49Å; L24-Y28 PolarHBondContact O-N 2.97Å; L24-L194 HydrophobicContact CB-CD2 4.44Å
25L94Very high93.7Very high11 Ų1177 Ų776%0.05842%0.424CS..Hα-helixtrans-63.8-42.3175.1-179.667.9000111.9F15 A21 L22 L23 Y28 S29 L194 L195 F213F15-L25 HydrophobicContact CD1-CD2 3.48Å; F15-L25 VanDerWaalsContact CD1-CD2 3.48Å; F15-L25 HydrophobicContact CE1-CD2 3.94Å; A21-L25 WeakPolarHBondContact O-CB 3.28Å; A21-L25 PolarHBondContact O-N 3.35Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 3.42Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.47Å; L25-Y28 HydrophobicContact CD1-CD1 4.48Å; L25-Y28 PolarHBondContact O-N 3.21Å; L25-S29 WeakPolarHBondContact O-CB 3.22Å; L25-S29 PolarHBondContact O-N 3.4Å; L25-L194 HydrophobicContact CD1-CB 4.25Å; L25-L194 HydrophobicContact CD1-CD1 4.46Å; L25-L195 HydrophobicContact CD1-CD1 4.37Å; L25-L195 HydrophobicContact CD1-CD2 4.06Å; L25-L195 HydrophobicContact CD1-CG 4.12Å; L25-L195 HydrophobicContact CD2-CD2 3.73Å; L25-F213 HydrophobicContact CD1-CE1 3.79Å; L25-F213 HydrophobicContact CD1-CZ 4.28Å
26L94.3Very high94Very high118 Ų11874 Ų7462%0.61841%0.412SS*.Hα-helixtrans-62.8-45.1177.5-175.368.7000111L22 L23 Y28 S29L22-L26 PolarHBondContact O-N 3.43Å; L23-L26 PolarHBondContact O-N 2.89Å; L26-Y28 VanDerWaalsContact C-N 3.32Å; L26-Y28 PolarHBondContact O-N 3.35Å; L26-S29 WeakPolarHBondContact O-CB 3.48Å; L26-S29 PolarHBondContact O-N 3.03Å; L26-S29 PolarHBondContact O-OG 3.39Å
27L95.6Very high94.3Very high136 Ų13677.3 Ų77.371%0.71243%0.427SS*.Hα-helixtrans-64.1-37.1176.4-17562.6000112.2L23 L24 S29 P30L23-L27 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 3.12Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-P30 WeakPolarHBondContact O-CD 3.31Å
28Y95.9Very high94.8Very high39 Ų3972 Ų7215%0.15341%0.407CS..Hα-helixtrans-71.8-25.7174.9171.7-103.4000112.8L24 L25 L26 P30 V31 G32 L35 F213 P215L24-Y28 VanDerWaalsContact O-CB 3.29Å; L24-Y28 WeakPolarHBondContact O-CB 3.49Å; L24-Y28 PolarHBondContact O-N 2.97Å; L25-Y28 HydrophobicContact CD1-CD1 4.48Å; L25-Y28 PolarHBondContact O-N 3.21Å; L26-Y28 VanDerWaalsContact C-N 3.32Å; L26-Y28 PolarHBondContact O-N 3.35Å; Y28-P30 VanDerWaalsContact C-CD 3.42Å; Y28-V31 HydrophobicContact CD2-CB 4.32Å; Y28-V31 HydrophobicContact CE2-CB 4.37Å; Y28-V31 HydrophobicContact CE2-CG1 4.24Å; Y28-V31 WeakPolarHBondContact O-CA 3.42Å; Y28-V31 WeakPolarHBondContact O-CB 3.46Å; Y28-V31 PolarHBondContact O-N 2.87Å; Y28-G32 PolarHBondContact O-N 3.37Å; Y28-L35 HydrophobicContact CE2-CD1 4.15Å; Y28-L35 VanDerWaalsContact OH-CD1 3.31Å; Y28-L35 WeakPolarHBondContact OH-CD1 3.33Å; Y28-F213 AromaticContact CD1-CE1 3.95Å; Y28-F213 HydrophobicContact CD1-CE1 3.95Å; Y28-F213 AromaticContact CD1-CZ 3.95Å; Y28-F213 HydrophobicContact CD1-CZ 3.95Å; Y28-F213 HydrophobicContact CE1-CD1 4.2Å; Y28-F213 AromaticContact CE1-CE1 3.73Å; Y28-F213 HydrophobicContact CE1-CE1 3.73Å; Y28-F213 AromaticContact CE1-CZ 3.95Å; Y28-F213 HydrophobicContact CE1-CZ 3.95Å; Y28-F213 VanDerWaalsContact CE1-O 3.28Å; Y28-F213 WeakPolarHBondContact CE1-O 3.28Å; Y28-F213 PolarHBondContact OH-O 3.34Å; Y28-P215 HydrophobicContact CD2-CG 4.48Å; Y28-P215 HydrophobicContact CE1-CG 4.03Å; Y28-P215 HydrophobicContact CE2-CG 3.83Å; Y28-P215 WeakPolarHBondContact OH-CA 3.33Å; Y28-P215 WeakPolarHBondContact OH-CD 3.41Å
29S95.6Very high95Very high33 Ų3368.6 Ų68.623%0.23139%0.387CS..Hα-helixtrans-54.3-39.1-167.771.40000116.2L25 L26 L27 V31 G32 I33L25-S29 WeakPolarHBondContact O-CB 3.22Å; L25-S29 PolarHBondContact O-N 3.4Å; L26-S29 WeakPolarHBondContact O-CB 3.48Å; L26-S29 PolarHBondContact O-N 3.03Å; L26-S29 PolarHBondContact O-OG 3.39Å; L27-S29 VanDerWaalsContact C-N 3.33Å; S29-V31 VanDerWaalsContact C-N 3.35Å; S29-V31 PolarHBondContact O-N 3.2Å; S29-G32 PolarHBondContact O-N 2.88Å; S29-I33 VanDerWaalsContact O-CG1 3.29Å; S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 3.48Å
30P97Very high95.1Very high77 Ų7767.8 Ų67.850%0.537%0.372SS..Hα-helixtrans-64.7-42177.3-19.334.2000111.5L27 Y28 I33 C34L27-P30 WeakPolarHBondContact O-CD 3.31Å; Y28-P30 VanDerWaalsContact C-CD 3.42Å; P30-I33 PolarHBondContact O-N 3.29Å; P30-C34 PolarHBondContact O-N 2.88Å; P30-C34 VanDerWaalsContact O-N 3.13Å; P30-C34 PolarHBondContact O-SG 3.01Å; P30-C34 VanDerWaalsContact O-SG 3.39Å
31V96.7Very high95.1Very high84 Ų8469.8 Ų69.851%0.50937%0.373SS..Hα-helixtrans-66-43.5176.1-177.90000110.3Y28 S29 I33 C34 L35Y28-V31 HydrophobicContact CD2-CB 4.32Å; Y28-V31 HydrophobicContact CE2-CB 4.37Å; Y28-V31 HydrophobicContact CE2-CG1 4.24Å; Y28-V31 WeakPolarHBondContact O-CA 3.42Å; Y28-V31 WeakPolarHBondContact O-CB 3.46Å; Y28-V31 PolarHBondContact O-N 2.87Å; S29-V31 VanDerWaalsContact C-N 3.35Å; S29-V31 PolarHBondContact O-N 3.2Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 3.44Å; V31-C34 PolarHBondContact O-N 2.8Å; V31-L35 HydrophobicContact CG1-CD1 3.97Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CB 3.16Å; V31-L35 WeakPolarHBondContact O-CG 3.37Å; V31-L35 PolarHBondContact O-N 2.79Å
32G96.3Very high95.1Very high0 Ų071 Ų710%038%0.377CS..Hα-helixtrans-60.4-39.417700000113.1Y28 S29 L35 M36 F213Y28-G32 PolarHBondContact O-N 3.37Å; S29-G32 PolarHBondContact O-N 2.88Å; G32-L35 PolarHBondContact O-N 3.18Å; G32-M36 VanDerWaalsContact O-CB 3.29Å; G32-M36 WeakPolarHBondContact O-CB 3.43Å; G32-M36 PolarHBondContact O-N 3.18Å; G32-F213 WeakPolarHBondContact O-CD2 3.23Å
33I96.7Very high95Very high83 Ų8367.6 Ų67.643%0.42636%0.362SS..Hα-helixtrans-65.6-46.5175-69.2164.7000110.4S29 P30 V31 L35 M36 L37 F213S29-I33 VanDerWaalsContact O-CG1 3.29Å; S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 3.48Å; P30-I33 PolarHBondContact O-N 3.29Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 3.44Å; I33-L35 VanDerWaalsContact C-N 3.34Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-M36 WeakPolarHBondContact O-CB 3.45Å; I33-M36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 4.2Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.8Å; I33-F213 HydrophobicContact CG1-CD2 4.37Å; I33-F213 HydrophobicContact CG1-CE2 4.11Å
34C96.9Very high94.7Very high87 Ų8765.8 Ų65.859%0.58836%0.355SS*.Hα-helixtrans-59.2-45175.7-68.80000111.9P30 V31 M36 L37 M38P30-C34 PolarHBondContact O-N 2.88Å; P30-C34 VanDerWaalsContact O-N 3.13Å; P30-C34 PolarHBondContact O-SG 3.01Å; P30-C34 VanDerWaalsContact O-SG 3.39Å; V31-C34 PolarHBondContact O-N 2.8Å; C34-M36 PolarHBondContact O-N 3.03Å; C34-L37 PolarHBondContact O-N 3.34Å; C34-M38 WeakPolarHBondContact O-CB 3.4Å; C34-M38 PolarHBondContact O-N 3.36Å
35L95.8Very high94.4Very high49 Ų4965.8 Ų65.826%0.25735%0.353SS..Hα-helixtrans-61.6-42.9176-75.1172.2000111.8Y28 V31 G32 I33 M38 R39Y28-L35 HydrophobicContact CE2-CD1 4.15Å; Y28-L35 VanDerWaalsContact OH-CD1 3.31Å; Y28-L35 WeakPolarHBondContact OH-CD1 3.33Å; V31-L35 HydrophobicContact CG1-CD1 3.97Å; V31-L35 HydrophobicContact CG1-CG 4.32Å; V31-L35 WeakPolarHBondContact O-CB 3.16Å; V31-L35 WeakPolarHBondContact O-CG 3.37Å; V31-L35 PolarHBondContact O-N 2.79Å; G32-L35 PolarHBondContact O-N 3.18Å; I33-L35 VanDerWaalsContact C-N 3.34Å; I33-L35 PolarHBondContact O-N 3.48Å; L35-M38 HydrophobicContact CD2-CE 4.18Å; L35-M38 PolarHBondContact O-N 3.01Å; L35-R39 WeakPolarHBondContact O-CB 3.31Å; L35-R39 VanDerWaalsContact O-CG 3.27Å; L35-R39 WeakPolarHBondContact O-CG 3.24Å; L35-R39 PolarHBondContact O-N 3.18Å
36M96.5Very high93.8Very high39 Ų3966.3 Ų66.319%0.19236%0.356CS..Hα-helixtrans-59.8-50.4176.9-176.3-175.968.800111G32 I33 C34 M38 R39 I40 L209 F212 F213G32-M36 VanDerWaalsContact O-CB 3.29Å; G32-M36 WeakPolarHBondContact O-CB 3.43Å; G32-M36 PolarHBondContact O-N 3.18Å; I33-M36 WeakPolarHBondContact O-CB 3.45Å; I33-M36 PolarHBondContact O-N 3.19Å; C34-M36 PolarHBondContact O-N 3.03Å; M36-M38 PolarHBondContact O-N 3.25Å; M36-R39 PolarHBondContact O-N 2.76Å; M36-I40 HydrophobicContact CG-CD1 3.94Å; M36-I40 HydrophobicContact CG-CG1 4.49Å; M36-I40 VanDerWaalsContact O-CG1 3.27Å; M36-I40 WeakPolarHBondContact O-CG1 3.28Å; M36-I40 PolarHBondContact O-N 2.82Å; M36-L209 HydrophobicContact SD-CB 4.25Å; M36-L209 HydrophobicContact SD-CD2 4.45Å; M36-F212 HydrophobicContact CB-CB 4.41Å; M36-F212 HydrophobicContact CG-CB 3.93Å; M36-F213 HydrophobicContact CB-CB 4.23Å; M36-F213 HydrophobicContact CG-CB 4.44Å; M36-F213 HydrophobicContact SD-CB 4.23Å
37L96Very high93.3Very high103 Ų10364.4 Ų64.454%0.53934%0.343SS..Hα-helixtrans-61.2-45179.8-68.3174.9000111.8I33 C34 R39 I40 F41I33-L37 HydrophobicContact CG2-CD1 4.2Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.8Å; C34-L37 PolarHBondContact O-N 3.34Å; L37-R39 VanDerWaalsContact C-N 3.34Å; L37-R39 PolarHBondContact O-N 2.95Å; L37-I40 PolarHBondContact O-N 2.79Å; L37-F41 PolarHBondContact O-N 3.45Å
38M95.2Very high92.8Very high86 Ų8663 Ų6342%0.42434%0.336SS..Hα-helixtrans-59.4-45175-177.1-155.967.100111.2C34 L35 M36 F41 I42C34-M38 WeakPolarHBondContact O-CB 3.4Å; C34-M38 PolarHBondContact O-N 3.36Å; L35-M38 HydrophobicContact CD2-CE 4.18Å; L35-M38 PolarHBondContact O-N 3.01Å; M36-M38 PolarHBondContact O-N 3.25Å; M38-F41 PolarHBondContact O-N 2.94Å; M38-I42 HydrophobicContact CE-CD1 4.07Å; M38-I42 HydrophobicContact CG-CD1 3.8Å; M38-I42 VanDerWaalsContact O-CG1 3.29Å; M38-I42 WeakPolarHBondContact O-CG1 3.5Å; M38-I42 PolarHBondContact O-N 2.91Å; M38-I42 HydrophobicContact SD-CD1 4.15Å
39R95.5Very high92.2Very high17 Ų1764.7 Ų64.76%0.06435%0.35CS..Hα-helixtrans-68.7-34.7178.9-76173.3171.5166.8-1.1113L35 M36 L37 F41 G43 V69 L70 G71 F212 S214 P215L35-R39 WeakPolarHBondContact O-CB 3.31Å; L35-R39 VanDerWaalsContact O-CG 3.27Å; L35-R39 WeakPolarHBondContact O-CG 3.24Å; L35-R39 PolarHBondContact O-N 3.18Å; M36-R39 PolarHBondContact O-N 2.76Å; L37-R39 VanDerWaalsContact C-N 3.34Å; L37-R39 PolarHBondContact O-N 2.95Å; R39-F41 VanDerWaalsContact C-N 3.35Å; R39-G43 WeakPolarHBondContact O-CA 3.49Å; R39-G43 PolarHBondContact O-N 3.46Å; R39-V69 PolarHBondContact NE-O 2.89Å; R39-L70 HydrophobicContact CB-CD2 4.04Å; R39-L70 WeakPolarHBondContact CD-O 3.43Å; R39-L70 HydrophobicContact CG-CD2 4.41Å; R39-L70 PolarHBondContact NE-O 2.95Å; R39-L70 WeakPolarHBondContact O-CD2 3.33Å; R39-G71 VanDerWaalsContact NH2-CA 3.3Å; R39-F212 HydrophobicContact CB-CB 4.04Å; R39-F212 HydrophobicContact CB-CD1 4.2Å; R39-F212 HydrophobicContact CB-CD2 4.35Å; R39-F212 HydrophobicContact CB-CG 3.95Å; R39-F212 WeakPolarHBondContact CD-O 3.44Å; R39-F212 PolarHBondContact NH1-O 2.76Å; R39-S214 PolarHBondContact NH1-O 3.15Å; R39-P215 PolarHBondContact NH2-O 3.42Å
40I94.5Very high91.3Very high58 Ų5864.1 Ų64.130%0.29735%0.346SS..Hα-helixtrans-60.6-49.4171.7-69.7165.5000109.3M36 L37 I42 G43 V44 L209 F212M36-I40 HydrophobicContact CG-CD1 3.94Å; M36-I40 HydrophobicContact CG-CG1 4.49Å; M36-I40 VanDerWaalsContact O-CG1 3.27Å; M36-I40 WeakPolarHBondContact O-CG1 3.28Å; M36-I40 PolarHBondContact O-N 2.82Å; L37-I40 PolarHBondContact O-N 2.79Å; I40-I42 PolarHBondContact O-N 2.82Å; I40-G43 PolarHBondContact O-N 3.03Å; I40-V44 WeakPolarHBondContact O-CG2 3.44Å; I40-V44 PolarHBondContact O-N 3.01Å; I40-L209 HydrophobicContact CD1-CD2 3.73Å; I40-L209 HydrophobicContact CG1-CD2 4.31Å; I40-F212 HydrophobicContact CG1-CD2 3.69Å; I40-F212 HydrophobicContact CG1-CE2 4.1Å
41F93.3Very high90.4Very high134 Ų13463.3 Ų63.359%0.58834%0.341SS*.Hα-helixtrans-58.5-51.9178.7-178.9-95.7000111.5L37 M38 R39 G43 V44 H45L37-F41 PolarHBondContact O-N 3.45Å; M38-F41 PolarHBondContact O-N 2.94Å; R39-F41 VanDerWaalsContact C-N 3.35Å; F41-G43 VanDerWaalsContact C-N 3.33Å; F41-G43 PolarHBondContact O-N 3.34Å; F41-V44 PolarHBondContact O-N 3.23Å; F41-H45 AromaticContact CD2-CE1 3.84Å; F41-H45 AromaticContact CE1-CE1 3.61Å; F41-H45 AromaticContact CE1-ND1 3.92Å; F41-H45 AromaticContact CE2-CE1 3.36Å; F41-H45 WeakPolarHBondContact CE2-CE1 3.28Å; F41-H45 AromaticContact CZ-CE1 3.23Å; F41-H45 WeakPolarHBondContact CZ-CE1 3.45Å; F41-H45 AromaticContact CZ-ND1 4Å; F41-H45 AromaticContact CZ-NE2 3.79Å; F41-H45 PolarHBondContact O-N 3.14Å; F41-H45 PolarHBondContact O-ND1 3.49Å
42I91.1Very high89.6Confident44 Ų4463.3 Ų63.323%0.22635%0.35CS..Hα-helixtrans-60.6-44177.4-65.5167.1000110.6M38 I40 V44 H45 V46 V69 L70M38-I42 HydrophobicContact CE-CD1 4.07Å; M38-I42 HydrophobicContact CG-CD1 3.8Å; M38-I42 VanDerWaalsContact O-CG1 3.29Å; M38-I42 WeakPolarHBondContact O-CG1 3.5Å; M38-I42 PolarHBondContact O-N 2.91Å; M38-I42 HydrophobicContact SD-CD1 4.15Å; I40-I42 PolarHBondContact O-N 2.82Å; I42-V44 PolarHBondContact O-N 3.15Å; I42-H45 PolarHBondContact O-N 3.18Å; I42-H45 VanDerWaalsContact O-N 3.15Å; I42-V46 HydrophobicContact CG2-CG2 3.98Å; I42-V46 WeakPolarHBondContact O-CB 3.45Å; I42-V46 VanDerWaalsContact O-CG2 3.23Å; I42-V46 WeakPolarHBondContact O-CG2 3.47Å; I42-V46 PolarHBondContact O-N 2.89Å; I42-V69 HydrophobicContact CD1-CG1 3.93Å; I42-V69 HydrophobicContact CG2-CG1 4.06Å; I42-L70 HydrophobicContact CB-CD2 4.48Å; I42-L70 HydrophobicContact CG2-CD2 4.38Å
43G89.8Confident88.6Confident11 Ų1165.9 Ų65.911%0.11336%0.364CS..Hα-helixtrans-61.4-40.2-177.100000113R39 I40 F41 V46 F47R39-G43 WeakPolarHBondContact O-CA 3.49Å; R39-G43 PolarHBondContact O-N 3.46Å; I40-G43 PolarHBondContact O-N 3.03Å; F41-G43 VanDerWaalsContact C-N 3.33Å; F41-G43 PolarHBondContact O-N 3.34Å; G43-V46 PolarHBondContact O-N 2.77Å; G43-F47 WeakPolarHBondContact O-CB 3.45Å; G43-F47 PolarHBondContact O-N 3.42Å
44V89.3Confident87.6Confident79 Ų7966.8 Ų66.848%0.47938%0.375SS..Hα-helixtrans-62.2-45.8173.9171.50000110.9I40 F41 I42 V46 F47 L48I40-V44 WeakPolarHBondContact O-CG2 3.44Å; I40-V44 PolarHBondContact O-N 3.01Å; F41-V44 PolarHBondContact O-N 3.23Å; I42-V44 PolarHBondContact O-N 3.15Å; V44-V46 PolarHBondContact O-N 2.83Å; V44-F47 PolarHBondContact O-N 2.96Å; V44-L48 HydrophobicContact CG1-CD1 4.3Å; V44-L48 WeakPolarHBondContact O-CG 3.29Å; V44-L48 PolarHBondContact O-N 2.94Å
45H86.1Confident86.3Confident94 Ų9468.4 Ų68.444%0.43538%0.377SS..Hα-helixtrans-64.3-42.4178.2-70.176.2000111.7F41 I42 F47 L48 V49F41-H45 AromaticContact CD2-CE1 3.84Å; F41-H45 AromaticContact CE1-CE1 3.61Å; F41-H45 AromaticContact CE1-ND1 3.92Å; F41-H45 AromaticContact CE2-CE1 3.36Å; F41-H45 WeakPolarHBondContact CE2-CE1 3.28Å; F41-H45 AromaticContact CZ-CE1 3.23Å; F41-H45 WeakPolarHBondContact CZ-CE1 3.45Å; F41-H45 AromaticContact CZ-ND1 4Å; F41-H45 AromaticContact CZ-NE2 3.79Å; F41-H45 PolarHBondContact O-N 3.14Å; F41-H45 PolarHBondContact O-ND1 3.49Å; I42-H45 PolarHBondContact O-N 3.18Å; I42-H45 VanDerWaalsContact O-N 3.15Å; H45-F47 VanDerWaalsContact C-N 3.33Å; H45-F47 PolarHBondContact O-N 2.86Å; H45-L48 PolarHBondContact O-N 3.37Å; H45-V49 WeakPolarHBondContact O-CB 3.29Å; H45-V49 VanDerWaalsContact O-CG2 3.29Å; H45-V49 WeakPolarHBondContact O-CG2 3.47Å; H45-V49 PolarHBondContact O-N 3.34Å
46V82.3Confident85.4Confident21 Ų2168 Ų6813%0.12738%0.378CS..Hα-helixtrans-60.9-43.7176.21680000111.1I42 G43 V44 V49 S50 M66I42-V46 HydrophobicContact CG2-CG2 3.98Å; I42-V46 WeakPolarHBondContact O-CB 3.45Å; I42-V46 VanDerWaalsContact O-CG2 3.23Å; I42-V46 WeakPolarHBondContact O-CG2 3.47Å; I42-V46 PolarHBondContact O-N 2.89Å; G43-V46 PolarHBondContact O-N 2.77Å; V44-V46 PolarHBondContact O-N 2.83Å; V46-V49 PolarHBondContact O-N 3.25Å; V46-S50 VanDerWaalsContact O-CB 3.23Å; V46-S50 WeakPolarHBondContact O-CB 3.5Å; V46-S50 PolarHBondContact O-N 2.85Å; V46-M66 HydrophobicContact CB-CB 4.26Å; V46-M66 HydrophobicContact CB-CG 4.31Å; V46-M66 HydrophobicContact CG1-CB 3.51Å; V46-M66 HydrophobicContact CG1-CG 3.79Å; V46-M66 HydrophobicContact CG2-CB 3.7Å; V46-M66 HydrophobicContact CG2-CE 4.28Å; V46-M66 HydrophobicContact CG2-CG 3.52Å; V46-M66 HydrophobicContact CG2-SD 3.43Å; V46-M66 WeakPolarHBondContact CG2-SD 3.16Å
47F84.3Confident84.5Confident78 Ų7874.1 Ų74.134%0.34241%0.405SS..Hα-helixtrans-59.9-50.4177.2179.7-101.2000110.7G43 V44 H45 V49 S50 C51 F119 W122 A123G43-F47 WeakPolarHBondContact O-CB 3.45Å; G43-F47 PolarHBondContact O-N 3.42Å; V44-F47 PolarHBondContact O-N 2.96Å; H45-F47 VanDerWaalsContact C-N 3.33Å; H45-F47 PolarHBondContact O-N 2.86Å; F47-V49 VanDerWaalsContact C-N 3.35Å; F47-V49 PolarHBondContact O-N 2.81Å; F47-S50 WeakPolarHBondContact O-CB 3.24Å; F47-S50 PolarHBondContact O-N 2.91Å; F47-S50 VanDerWaalsContact O-N 3.15Å; F47-C51 PolarHBondContact O-N 3.38Å; F47-C51 PolarHBondContact O-SG 2.89Å; F47-F119 HydrophobicContact CE1-CZ 4.39Å; F47-F119 HydrophobicContact CZ-CZ 4.33Å; F47-W122 AromaticContact CZ-CZ3 3.95Å; F47-W122 HydrophobicContact CZ-CZ3 3.95Å; F47-A123 HydrophobicContact CE2-CB 3.95Å; F47-A123 HydrophobicContact CZ-CB 3.74Å
48L85.2Confident83.5Confident107 Ų10773.7 Ų73.756%0.5641%0.406SS*.Hα-helixtrans-58.7-43.7178-67.2175.2000112.6V44 H45 C51 A52V44-L48 HydrophobicContact CG1-CD1 4.3Å; V44-L48 WeakPolarHBondContact O-CG 3.29Å; V44-L48 PolarHBondContact O-N 2.94Å; H45-L48 PolarHBondContact O-N 3.37Å; L48-C51 PolarHBondContact O-N 3.48Å; L48-A52 PolarHBondContact O-N 3.32Å
49V81.6Confident82.8Confident74 Ų7472.6 Ų72.645%0.44840%0.397SS..Hα-helixtrans-66.3-40.5176.81720000111.2H45 V46 F47 C51 A52 I53H45-V49 WeakPolarHBondContact O-CB 3.29Å; H45-V49 VanDerWaalsContact O-CG2 3.29Å; H45-V49 WeakPolarHBondContact O-CG2 3.47Å; H45-V49 PolarHBondContact O-N 3.34Å; V46-V49 PolarHBondContact O-N 3.25Å; F47-V49 VanDerWaalsContact C-N 3.35Å; F47-V49 PolarHBondContact O-N 2.81Å; V49-C51 VanDerWaalsContact C-N 3.28Å; V49-C51 PolarHBondContact O-N 2.92Å; V49-A52 PolarHBondContact O-N 3.12Å; V49-I53 HydrophobicContact CG1-CD1 3.55Å; V49-I53 HydrophobicContact CG1-CG1 4.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.45Å; V49-I53 PolarHBondContact O-N 3.09Å; V49-I53 VanDerWaalsContact O-N 3.12Å
50S77Confident81.9Confident21 Ų2175.8 Ų75.815%0.14741%0.409CS..Hα-helixtrans-64.7-31.3178-173.60000112.8V46 F47 A52 R59V46-S50 VanDerWaalsContact O-CB 3.23Å; V46-S50 WeakPolarHBondContact O-CB 3.5Å; V46-S50 PolarHBondContact O-N 2.85Å; F47-S50 WeakPolarHBondContact O-CB 3.24Å; F47-S50 PolarHBondContact O-N 2.91Å; F47-S50 VanDerWaalsContact O-N 3.15Å; S50-A52 VanDerWaalsContact C-N 3.33Å; S50-R59 PolarHBondContact O-NE 2.98Å; S50-R59 PolarHBondContact OG-NH2 2.74Å
51C78.2Confident81.3Confident60 Ų6079.1 Ų79.141%0.40542%0.422SS..Hα-helixtrans-70.6-28.5172.5-61.50000112.7F47 L48 V49 W122F47-C51 PolarHBondContact O-N 3.38Å; F47-C51 PolarHBondContact O-SG 2.89Å; L48-C51 PolarHBondContact O-N 3.48Å; V49-C51 VanDerWaalsContact C-N 3.28Å; V49-C51 PolarHBondContact O-N 2.92Å; C51-W122 HydrophobicContact CB-CH2 4.2Å; C51-W122 WeakPolarHBondContact SG-CH2 3.29Å
52A79.3Confident80.7Confident84 Ų8474.8 Ų74.869%0.69441%0.406SS*.Hα-helixtrans-85.2-25-178.700000113.5L48 V49 S50L48-A52 PolarHBondContact O-N 3.32Å; V49-A52 PolarHBondContact O-N 3.12Å; S50-A52 VanDerWaalsContact C-N 3.33Å
53I76.9Confident80.1Confident55 Ų5574 Ų7428%0.28240%0.403SS..SBendtrans-92.4128.5-176.1-61.5172.4000110.4V49 R59V49-I53 HydrophobicContact CG1-CD1 3.55Å; V49-I53 HydrophobicContact CG1-CG1 4.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.45Å; V49-I53 PolarHBondContact O-N 3.09Å; V49-I53 VanDerWaalsContact O-N 3.12Å; I53-R59 HydrophobicContact CB-CG 4.44Å; I53-R59 HydrophobicContact CG2-CB 3.86Å; I53-R59 HydrophobicContact CG2-CG 4.14Å; I53-R59 WeakPolarHBondContact O-CD 3.48Å
54P75.2Confident79.8Confident102 Ų10277.4 Ų77.466%0.66241%0.413SS*.  trans-67.9157.2175.927.8-34.1000112.4S56P54-S56 PolarHBondContact O-N 3.21Å; P54-S56 PolarHBondContact O-OG 3.15Å
55D69.3Low79.5Confident120 Ų12076.7 Ų76.764%0.64241%0.408SS*.SBendtrans-62.3106.5-176-113.6-32.3000112.1R59D55-R59 IonicContact OD1-CZ 3.92Å; D55-R59 IonicContact OD1-NH1 3.73Å; D55-R59 PolarHBondContact OD1-NH1 3.04Å; D55-R59 IonicContact OD2-NH1 2.93Å
56S77.1Confident79.4Confident40 Ų4075 Ų7528%0.2840%0.401SS..SBendtrans-145.6162.9-174.761.80000110.7P54 V58 R59 R60P54-S56 PolarHBondContact O-N 3.21Å; P54-S56 PolarHBondContact O-OG 3.15Å; S56-V58 PolarHBondContact O-N 3.13Å; S56-R59 WeakPolarHBondContact O-CB 3.5Å; S56-R59 PolarHBondContact O-N 3.27Å; S56-R59 VanDerWaalsContact O-N 3.15Å; S56-R59 PolarHBondContact OG-N 3.28Å; S56-R59 VanDerWaalsContact OG-N 3.13Å; S56-R60 PolarHBondContact O-N 3.35Å; S56-R60 VanDerWaalsContact O-N 3.12Å
57F76.8Confident79.6Confident169 Ų16974.8 Ų74.874%0.74140%0.401SS*.Hα-helixtrans-56.2-37.1172.2-178.8-96.5000111.8R60 F61F57-R60 PolarHBondContact O-N 3.42Å; F57-F61 PolarHBondContact O-N 2.82Å
58V76.6Confident79.7Confident94 Ų9472.9 Ų72.957%0.5740%0.397SS*.Hα-helixtrans-63.1-47176.2-179.80000110.8S56 R60 F61 V62S56-V58 PolarHBondContact O-N 3.13Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 2.95Å; V58-F61 PolarHBondContact O-N 3.18Å; V58-V62 HydrophobicContact CG1-CG2 4.23Å; V58-V62 WeakPolarHBondContact O-CB 3.41Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 3.22Å
59R78.8Confident79.9Confident63 Ų6370.8 Ų70.824%0.23839%0.389CS..Hα-helixtrans-54.4-47.1175-173.6-176175.3-112.7-3111.1S50 I53 D55 S56 F61 V62 V63S50-R59 PolarHBondContact O-NE 2.98Å; S50-R59 PolarHBondContact OG-NH2 2.74Å; I53-R59 HydrophobicContact CB-CG 4.44Å; I53-R59 HydrophobicContact CG2-CB 3.86Å; I53-R59 HydrophobicContact CG2-CG 4.14Å; I53-R59 WeakPolarHBondContact O-CD 3.48Å; D55-R59 IonicContact OD1-CZ 3.92Å; D55-R59 IonicContact OD1-NH1 3.73Å; D55-R59 PolarHBondContact OD1-NH1 3.04Å; D55-R59 IonicContact OD2-NH1 2.93Å; S56-R59 WeakPolarHBondContact O-CB 3.5Å; S56-R59 PolarHBondContact O-N 3.27Å; S56-R59 VanDerWaalsContact O-N 3.15Å; S56-R59 PolarHBondContact OG-N 3.28Å; S56-R59 VanDerWaalsContact OG-N 3.13Å; R59-F61 PolarHBondContact O-N 3.49Å; R59-V62 PolarHBondContact O-N 3.07Å; R59-V63 HydrophobicContact CG-CG2 4.25Å; R59-V63 WeakPolarHBondContact O-CB 3.47Å; R59-V63 WeakPolarHBondContact O-CG2 3.42Å; R59-V63 PolarHBondContact O-N 3.38Å
60R77.5Confident80.2Confident84 Ų8467.9 Ų67.932%0.31737%0.371SS..Hα-helixtrans-65-41.6179.8-65.5-176.7-167.4156.19.4112.8S56 F57 V58 R64 P107S56-R60 PolarHBondContact O-N 3.35Å; S56-R60 VanDerWaalsContact O-N 3.12Å; F57-R60 PolarHBondContact O-N 3.42Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 2.95Å; R60-R64 VanDerWaalsContact O-CB 3.23Å; R60-R64 WeakPolarHBondContact O-CB 3.27Å; R60-R64 PolarHBondContact O-N 2.91Å; R60-P107 VanDerWaalsContact NH2-CB 3.32Å
61F81.7Confident80.9Confident127 Ų12766.9 Ų66.956%0.55736%0.364SS*.Hα-helixtrans-61.7-48175.3-179.6-97.9000111.1F57 V58 R59 R64 V65F57-F61 PolarHBondContact O-N 2.82Å; V58-F61 PolarHBondContact O-N 3.18Å; R59-F61 PolarHBondContact O-N 3.49Å; F61-R64 PolarHBondContact O-N 2.96Å; F61-V65 HydrophobicContact CD1-CG2 4.31Å; F61-V65 HydrophobicContact CE1-CG2 3.9Å; F61-V65 HydrophobicContact CE2-CG2 4.4Å; F61-V65 HydrophobicContact CZ-CG2 3.94Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 2.92Å
62V79.9Confident81.6Confident43 Ų4364.7 Ų64.726%0.26135%0.347SS..Hα-helixtrans-59.1-53.4176.7172.10000110.2V58 R59 R64 V65 M66V58-V62 HydrophobicContact CG1-CG2 4.23Å; V58-V62 WeakPolarHBondContact O-CB 3.41Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 3.22Å; R59-V62 PolarHBondContact O-N 3.07Å; V62-R64 VanDerWaalsContact C-N 3.26Å; V62-R64 PolarHBondContact O-N 2.98Å; V62-V65 PolarHBondContact O-N 3.48Å; V62-V65 VanDerWaalsContact O-N 3.1Å; V62-M66 HydrophobicContact CG1-CE 4.14Å; V62-M66 HydrophobicContact CG1-CG 4.08Å; V62-M66 WeakPolarHBondContact O-CB 3.45Å; V62-M66 WeakPolarHBondContact O-CG 3.46Å; V62-M66 PolarHBondContact O-N 3.28Å
63V79.3Confident82.3Confident27 Ų2764.1 Ų64.116%0.16433%0.33CS..Hα-helixtrans-59.2-38.3179.6178.80000110.9R59 M66 C67 L104R59-V63 HydrophobicContact CG-CG2 4.25Å; R59-V63 WeakPolarHBondContact O-CB 3.47Å; R59-V63 WeakPolarHBondContact O-CG2 3.42Å; R59-V63 PolarHBondContact O-N 3.38Å; V63-M66 PolarHBondContact O-N 3.02Å; V63-C67 WeakPolarHBondContact O-CB 3.33Å; V63-C67 PolarHBondContact O-N 3.48Å; V63-C67 PolarHBondContact O-SG 3.33Å; V63-L104 HydrophobicContact CB-CD2 4.16Å; V63-L104 HydrophobicContact CG1-CD2 3.36Å
64R83.3Confident83Confident83 Ų8362.1 Ų62.131%0.31332%0.321SS..Hα-helixtrans-63.8-43.7175.5-175.9177-175.7141.23.7112.8R60 F61 V62 M66 S68 V74 L105R60-R64 VanDerWaalsContact O-CB 3.23Å; R60-R64 WeakPolarHBondContact O-CB 3.27Å; R60-R64 PolarHBondContact O-N 2.91Å; F61-R64 PolarHBondContact O-N 2.96Å; V62-R64 VanDerWaalsContact C-N 3.26Å; V62-R64 PolarHBondContact O-N 2.98Å; R64-M66 VanDerWaalsContact C-N 3.31Å; R64-S68 PolarHBondContact O-N 3.31Å; R64-S68 VanDerWaalsContact O-N 3.14Å; R64-S68 PolarHBondContact O-OG 2.76Å; R64-V74 PolarHBondContact NH2-O 3.21Å; R64-V74 VanDerWaalsContact NH2-O 3.12Å; R64-L105 VanDerWaalsContact NH1-CD2 3.34Å
65V84.2Confident83.9Confident64 Ų6464.8 Ų64.839%0.38832%0.317SS..Hα-helixtrans-61.8-45174.1171.80000109.5F61 V62 S68 V69F61-V65 HydrophobicContact CD1-CG2 4.31Å; F61-V65 HydrophobicContact CE1-CG2 3.9Å; F61-V65 HydrophobicContact CE2-CG2 4.4Å; F61-V65 HydrophobicContact CZ-CG2 3.94Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 2.92Å; V62-V65 PolarHBondContact O-N 3.48Å; V62-V65 VanDerWaalsContact O-N 3.1Å; V65-S68 WeakPolarHBondContact O-CA 3.4Å; V65-S68 VanDerWaalsContact O-CB 3.3Å; V65-S68 WeakPolarHBondContact O-CB 3.22Å; V65-S68 PolarHBondContact O-N 3.35Å; V65-S68 VanDerWaalsContact O-N 3.13Å; V65-V69 WeakPolarHBondContact O-CG2 3.26Å; V65-V69 PolarHBondContact O-N 3.34Å
66M82.9Confident85Confident58 Ų5862.7 Ų62.729%0.28630%0.304SS..Hα-helixtrans-65.9-43.2-179.2-65.3-57.2-178.100112.7V46 V62 V63 R64 S68 V69 L70V46-M66 HydrophobicContact CB-CB 4.26Å; V46-M66 HydrophobicContact CB-CG 4.31Å; V46-M66 HydrophobicContact CG1-CB 3.51Å; V46-M66 HydrophobicContact CG1-CG 3.79Å; V46-M66 HydrophobicContact CG2-CB 3.7Å; V46-M66 HydrophobicContact CG2-CE 4.28Å; V46-M66 HydrophobicContact CG2-CG 3.52Å; V46-M66 HydrophobicContact CG2-SD 3.43Å; V46-M66 WeakPolarHBondContact CG2-SD 3.16Å; V62-M66 HydrophobicContact CG1-CE 4.14Å; V62-M66 HydrophobicContact CG1-CG 4.08Å; V62-M66 WeakPolarHBondContact O-CB 3.45Å; V62-M66 WeakPolarHBondContact O-CG 3.46Å; V62-M66 PolarHBondContact O-N 3.28Å; V63-M66 PolarHBondContact O-N 3.02Å; R64-M66 VanDerWaalsContact C-N 3.31Å; M66-S68 PolarHBondContact O-N 3.15Å; M66-V69 WeakPolarHBondContact O-CB 3.39Å; M66-V69 PolarHBondContact O-N 2.76Å; M66-L70 WeakPolarHBondContact O-CG 3.34Å; M66-L70 PolarHBondContact O-N 3.35Å
67C85.8Confident85.7Confident17 Ų1767.4 Ų67.412%0.11532%0.316CS..Hα-helixtrans-57.9-37172.5-72.20000111.5V63 L70 G71 M72 L104V63-C67 WeakPolarHBondContact O-CB 3.33Å; V63-C67 PolarHBondContact O-N 3.48Å; V63-C67 PolarHBondContact O-SG 3.33Å; C67-L70 CarbonylContact O-C 3.58Å; C67-L70 WeakPolarHBondContact O-CB 3.38Å; C67-L70 PolarHBondContact O-N 3.31Å; C67-G71 PolarHBondContact O-N 3.49Å; C67-M72 CarbonylContact C-O 3.51Å; C67-M72 VanDerWaalsContact C-O 3.24Å; C67-M72 HydrophobicContact CB-CB 4.4Å; C67-M72 HydrophobicContact CB-CE 4.24Å; C67-M72 WeakPolarHBondContact O-CA 3.22Å; C67-M72 WeakPolarHBondContact O-CB 3.41Å; C67-M72 PolarHBondContact O-N 3.12Å; C67-M72 VanDerWaalsContact O-O 3.11Å; C67-L104 HydrophobicContact CB-CD1 3.87Å
68S87.9Confident86.3Confident39 Ų3963.2 Ų63.227%0.27330%0.301SS..Hα-helixtrans-65.5-40174.8-56.50000111.9R64 V65 M66 L70 G71 M72 H73R64-S68 PolarHBondContact O-N 3.31Å; R64-S68 VanDerWaalsContact O-N 3.14Å; R64-S68 PolarHBondContact O-OG 2.76Å; V65-S68 WeakPolarHBondContact O-CA 3.4Å; V65-S68 VanDerWaalsContact O-CB 3.3Å; V65-S68 WeakPolarHBondContact O-CB 3.22Å; V65-S68 PolarHBondContact O-N 3.35Å; V65-S68 VanDerWaalsContact O-N 3.13Å; M66-S68 PolarHBondContact O-N 3.15Å; S68-L70 VanDerWaalsContact C-N 3.31Å; S68-L70 PolarHBondContact O-N 3.13Å; S68-G71 PolarHBondContact O-N 2.93Å; S68-M72 WeakPolarHBondContact CA-O 3.29Å; S68-M72 PolarHBondContact N-O 2.96Å; S68-H73 PolarHBondContact O-CE1 2.84Å
69V87.6Confident86.9Confident63 Ų6362 Ų6238%0.38230%0.295SS..Hα-helixtrans-64-37.4173.31760000111.4R39 I42 V65 M66 G71R39-V69 PolarHBondContact NE-O 2.89Å; I42-V69 HydrophobicContact CD1-CG1 3.93Å; I42-V69 HydrophobicContact CG2-CG1 4.06Å; V65-V69 WeakPolarHBondContact O-CG2 3.26Å; V65-V69 PolarHBondContact O-N 3.34Å; M66-V69 WeakPolarHBondContact O-CB 3.39Å; M66-V69 PolarHBondContact O-N 2.76Å; V69-G71 PolarHBondContact O-N 3.23Å; V69-G71 VanDerWaalsContact O-N 3.14Å
70L89.9Confident87.3Confident13 Ų1370.6 Ų70.67%0.06833%0.327CS..THydrogen-bonded Turntrans-70.50.3173.1-62.7177.9000113.7R39 I42 M66 C67 S68 M72 F212R39-L70 HydrophobicContact CB-CD2 4.04Å; R39-L70 WeakPolarHBondContact CD-O 3.43Å; R39-L70 HydrophobicContact CG-CD2 4.41Å; R39-L70 PolarHBondContact NE-O 2.95Å; R39-L70 WeakPolarHBondContact O-CD2 3.33Å; I42-L70 HydrophobicContact CB-CD2 4.48Å; I42-L70 HydrophobicContact CG2-CD2 4.38Å; M66-L70 WeakPolarHBondContact O-CG 3.34Å; M66-L70 PolarHBondContact O-N 3.35Å; C67-L70 CarbonylContact O-C 3.58Å; C67-L70 WeakPolarHBondContact O-CB 3.38Å; C67-L70 PolarHBondContact O-N 3.31Å; S68-L70 VanDerWaalsContact C-N 3.31Å; S68-L70 PolarHBondContact O-N 3.13Å; L70-M72 HydrophobicContact CB-CE 3.88Å; L70-M72 HydrophobicContact CD1-CE 4.12Å; L70-F212 HydrophobicContact CB-CD1 4.4Å; L70-F212 HydrophobicContact CB-CE1 3.9Å; L70-F212 HydrophobicContact CD1-CE1 4.24Å; L70-F212 HydrophobicContact CD1-CZ 4.38Å; L70-F212 HydrophobicContact CD2-CE1 4.11Å; L70-F212 HydrophobicContact CD2-CZ 4.25Å; L70-F212 HydrophobicContact CG-CE1 4.3Å
71G90.9Very high87.8Confident0 Ų068.6 Ų68.60%033%0.326CS..THydrogen-bonded Turntrans88.47176.800000114.6R39 C67 S68 V69 C216 T217R39-G71 VanDerWaalsContact NH2-CA 3.3Å; C67-G71 PolarHBondContact O-N 3.49Å; S68-G71 PolarHBondContact O-N 2.93Å; V69-G71 PolarHBondContact O-N 3.23Å; V69-G71 VanDerWaalsContact O-N 3.14Å; G71-C216 CarbonylContact O-C 3.58Å; G71-C216 WeakPolarHBondContact O-CA 3.39Å; G71-T217 PolarHBondContact O-N 3.2Å
72M93.1Very high88.2Confident13 Ų1366.6 Ų66.66%0.06432%0.315CS..EExtended strand (participates in β ladder)trans-100.9105.1177.5-62.2175.5-73.400110C67 S68 L70 I101 T211 T217 Y219C67-M72 CarbonylContact C-O 3.51Å; C67-M72 VanDerWaalsContact C-O 3.24Å; C67-M72 HydrophobicContact CB-CB 4.4Å; C67-M72 HydrophobicContact CB-CE 4.24Å; C67-M72 WeakPolarHBondContact O-CA 3.22Å; C67-M72 WeakPolarHBondContact O-CB 3.41Å; C67-M72 PolarHBondContact O-N 3.12Å; C67-M72 VanDerWaalsContact O-O 3.11Å; S68-M72 WeakPolarHBondContact CA-O 3.29Å; S68-M72 PolarHBondContact N-O 2.96Å; L70-M72 HydrophobicContact CB-CE 3.88Å; L70-M72 HydrophobicContact CD1-CE 4.12Å; M72-I101 HydrophobicContact CB-CD1 4.06Å; M72-I101 HydrophobicContact SD-CD1 4.29Å; M72-T211 HydrophobicContact CG-CG2 3.73Å; M72-T211 HydrophobicContact SD-CG2 4.16Å; M72-T217 WeakPolarHBondContact CA-O 3.32Å; M72-Y219 HydrophobicContact CB-CE2 4.18Å; M72-Y219 HydrophobicContact CG-CE2 4.22Å
73H92.8Very high88.6Confident72 Ų7267.6 Ų67.633%0.33332%0.319SS..EExtended strand (participates in β ladder)trans-104.4133.3-178-63.3-81.8000111.1S68 T217 V218 Y219S68-H73 PolarHBondContact O-CE1 2.84Å; H73-T217 PolarHBondContact N-O 3Å; H73-V218 HydrophobicContact CB-CG1 4.44Å; H73-V218 HydrophobicContact CB-CG2 4.35Å; H73-V218 CarbonylContact O-C 3.5Å; H73-V218 WeakPolarHBondContact O-CA 3.29Å; H73-Y219 PolarHBondContact O-N 3.35Å
74V92.9Very high88.8Confident14 Ų1474.7 Ų74.79%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-111.9122.2-178.4-166.80000110.8R64 I101 L104 L105 Y219 V221R64-V74 PolarHBondContact NH2-O 3.21Å; R64-V74 VanDerWaalsContact NH2-O 3.12Å; V74-I101 HydrophobicContact CB-CG2 4.49Å; V74-I101 HydrophobicContact CG1-CG2 4.01Å; V74-I101 HydrophobicContact CG2-CD1 4.08Å; V74-I101 HydrophobicContact CG2-CG2 3.66Å; V74-L104 HydrophobicContact CG2-CD1 4.17Å; V74-L105 HydrophobicContact CB-CD2 4.26Å; V74-L105 HydrophobicContact CG1-CD1 3.84Å; V74-L105 HydrophobicContact CG1-CD2 3.57Å; V74-L105 HydrophobicContact CG1-CG 4.06Å; V74-Y219 WeakPolarHBondContact CA-O 3.35Å; V74-V221 HydrophobicContact CG1-CG2 4.06Å
75R93.1Very high89Confident157 Ų15777 Ų7759%0.59237%0.366SS*.EExtended strand (participates in β ladder)trans-112.9134.9173-65.2-174.8177.8-174.81.8109V218 Y219 H220 V221R75-V218 HydrophobicContact CG-CG1 4.16Å; R75-Y219 PolarHBondContact N-O 3.36Å; R75-H220 WeakPolarHBondContact O-CA 3.34Å; R75-V221 PolarHBondContact O-N 3.38Å
76Q93.1Very high89.3Confident76 Ų7674.6 Ų74.636%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-107.6141.3178-67.8-176.124.800110.7L105 V221Q76-L105 HydrophobicContact CG-CD1 3.64Å; Q76-L105 HydrophobicContact CG-CD2 4.15Å; Q76-L105 HydrophobicContact CG-CG 4.44Å; Q76-V221 CarbonylContact C-O 3.56Å; Q76-V221 WeakPolarHBondContact CA-O 3.35Å
77R92.1Very high89.8Confident140 Ų14075.1 Ų75.153%0.52835%0.352SS..EExtended strand (participates in β ladder)trans-119.2139.7170.5-167.9-175.4-171.9-170.96.1108.8V221 S222 W223 E249R77-V221 PolarHBondContact N-O 3.5Å; R77-S222 WeakPolarHBondContact CB-OG 3.46Å; R77-S222 WeakPolarHBondContact CD-OG 3.46Å; R77-W223 PolarHBondContact O-N 3.37Å; R77-E249 IonicContact CZ-OE1 3.81Å; R77-E249 IonicContact NH1-OE1 2.88Å; R77-E249 PolarHBondContact NH1-OE1 3.17Å
78N89.8Confident90.2Very high80 Ų8074.3 Ų74.343%0.42835%0.346SS..  trans51.247.7178.5-56.9-23.1000115.3R80 S81N78-R80 PolarHBondContact O-N 3.39Å; N78-S81 WeakPolarHBondContact O-CB 3.37Å; N78-S81 PolarHBondContact O-N 2.89Å
79P87.4Confident90.6Very high68 Ų6872.6 Ų72.644%0.44234%0.335SS..G310 helixtrans-61.2-17.6-177.927.9-36.7000114S81P79-S81 VanDerWaalsContact C-N 3.33Å
80R87.2Confident91.1Very high245 Ų24569.6 Ų69.693%0.92532%0.317SS*.G310 helixtrans-73.7-21.5176.7-63.4-178.2-177.4169.90.1113.4N78 R82N78-R80 PolarHBondContact O-N 3.39Å; R80-R82 PolarHBondContact O-N 2.68Å
81S88.7Confident91.5Very high41 Ų4169 Ų6929%0.28731%0.313SS..G310 helixtrans-77.7-8.9180-56.10000113.2N78 P79 D83 W223N78-S81 WeakPolarHBondContact O-CB 3.37Å; N78-S81 PolarHBondContact O-N 2.89Å; P79-S81 VanDerWaalsContact C-N 3.33Å; S81-D83 PolarHBondContact O-N 2.96Å; S81-W223 WeakPolarHBondContact CB-O 3.09Å
82R89.2Confident91.7Very high85 Ų8569 Ų6932%0.32131%0.313SS..  trans-75119.5177.6-175.2-170.670.8179.9-1.5109.9R80 T106 W223R80-R82 PolarHBondContact O-N 2.68Å; R82-T106 PolarHBondContact NH1-OG1 3.44Å; R82-W223 HydrophobicContact CB-CB 4.46Å; R82-W223 HydrophobicContact CB-CD2 4.06Å; R82-W223 HydrophobicContact CB-CE3 3.97Å; R82-W223 HydrophobicContact CB-CG 4.27Å; R82-W223 HydrophobicContact CG-CD2 4.23Å; R82-W223 HydrophobicContact CG-CE3 3.75Å; R82-W223 HydrophobicContact CG-CH2 4.49Å; R82-W223 HydrophobicContact CG-CZ3 3.91Å
83D88.5Confident91.8Very high65 Ų6569.5 Ų69.535%0.34832%0.315SS..  trans-82.8133.8168.3-170.5-8.6000110.4S81 N85 T86 P226S81-D83 PolarHBondContact O-N 2.96Å; D83-N85 VanDerWaalsContact C-N 3.35Å; D83-N85 WeakPolarHBondContact OD1-CB 3.28Å; D83-N85 PolarHBondContact OD1-N 3.29Å; D83-N85 PolarHBondContact OD1-ND2 2.88Å; D83-T86 WeakPolarHBondContact CB-OG1 3.43Å; D83-P226 HydrophobicContact CB-CG 3.47Å; D83-P226 VanDerWaalsContact CB-CG 3.47Å
84K84.9Confident91.9Very high175 Ų17566.1 Ų66.176%0.76130%0.3SS*.SBendtrans-81-19.3178.1-66.1-179.8-177.9175.90112.3
85N87.4Confident92Very high133 Ų13365.7 Ų65.771%0.71130%0.297SS*.SBendtrans-84.6-16.3-177.7-60.2-36.4000112.1D83 K87D83-N85 VanDerWaalsContact C-N 3.35Å; D83-N85 WeakPolarHBondContact OD1-CB 3.28Å; D83-N85 PolarHBondContact OD1-N 3.29Å; D83-N85 PolarHBondContact OD1-ND2 2.88Å; N85-K87 PolarHBondContact O-N 3.33Å
86T90.2Very high91.9Very high12 Ų1260.7 Ų60.77%0.07428%0.281CS..  trans-70.8125.6-180-49.80000111.3D83 L88 Q184D83-T86 WeakPolarHBondContact CB-OG1 3.43Å; T86-L88 VanDerWaalsContact CG2-O 3.31Å; T86-L88 WeakPolarHBondContact CG2-O 3.47Å; T86-Q184 HydrophobicContact CG2-CB 3.65Å
87K92.5Very high91.8Very high69 Ų6957.9 Ų57.930%0.327%0.267SS..SBendtrans-86.8-20.4-176.7-62.5-71.7-176.8162.80113.5N85 C146 A148 P153 L154N85-K87 PolarHBondContact O-N 3.33Å; K87-C146 HydrophobicContact CB-CB 4.43Å; K87-C146 WeakPolarHBondContact CG-O 3.39Å; K87-A148 PolarHBondContact NZ-O 2.88Å; K87-P153 CarbonylContact O-C 3.51Å; K87-P153 VanDerWaalsContact O-CA 3.29Å; K87-P153 WeakPolarHBondContact O-CA 3.43Å; K87-L154 PolarHBondContact O-N 3.08Å
88L95.3Very high91.9Very high0 Ų051.2 Ų51.20%024%0.242CC..EExtended strand (participates in β ladder)trans-128.2123-178.7179.161.2000111.8T86 V90 L154 V156 P176 L179 T180 I183 Q184T86-L88 VanDerWaalsContact CG2-O 3.31Å; T86-L88 WeakPolarHBondContact CG2-O 3.47Å; L88-V90 HydrophobicContact CG-CG2 4.47Å; L88-L154 HydrophobicContact CD1-CB 3.85Å; L88-V156 HydrophobicContact CD1-CB 4.33Å; L88-V156 HydrophobicContact CD1-CG2 3.78Å; L88-P176 WeakPolarHBondContact CD2-O 3.22Å; L88-L179 HydrophobicContact CD1-CD1 4.42Å; L88-L179 HydrophobicContact CD2-CB 4.07Å; L88-L179 HydrophobicContact CD2-CD1 4.17Å; L88-T180 HydrophobicContact CB-CG2 4.23Å; L88-T180 WeakPolarHBondContact CD2-OG1 3.43Å; L88-I183 HydrophobicContact CB-CG2 4.34Å; L88-I183 HydrophobicContact CD2-CG2 3.77Å; L88-I183 HydrophobicContact CG-CG2 4.14Å; L88-I183 WeakPolarHBondContact O-CA 3.36Å; L88-Q184 PolarHBondContact O-N 2.98Å
89S96.6Very high92Very high4 Ų447.6 Ų47.63%0.02822%0.223CC..EExtended strand (participates in β ladder)trans-109.5137.6170.6-64.70000110.9F108 L154 L155 V156 Q184S89-F108 VanDerWaalsContact OG-CE1 3.28Å; S89-F108 WeakPolarHBondContact OG-CE1 3.38Å; S89-F108 WeakPolarHBondContact OG-CZ 3.32Å; S89-L154 PolarHBondContact N-O 2.79Å; S89-L155 WeakPolarHBondContact O-CA 3.37Å; S89-V156 PolarHBondContact O-N 2.87Å; S89-Q184 CarbonylContact C-O 3.56Å; S89-Q184 VanDerWaalsContact CA-O 3.24Å; S89-Q184 WeakPolarHBondContact CA-O 3.44Å
90V97.1Very high92.1Very high0 Ų046.7 Ų46.70%021%0.214CC..EExtended strand (participates in β ladder)trans-118.5130.7-179161.80000109.2L88 V156 P158 F172 F177 I183 Q184 P185 V186 V242L88-V90 HydrophobicContact CG-CG2 4.47Å; V90-V156 WeakPolarHBondContact CA-O 3.39Å; V90-P158 HydrophobicContact CG1-CG 3.51Å; V90-F172 HydrophobicContact CG1-CE2 4.29Å; V90-F177 HydrophobicContact CG1-CZ 4.32Å; V90-I183 HydrophobicContact CB-CD1 4.34Å; V90-I183 HydrophobicContact CG2-CD1 4.1Å; V90-Q184 PolarHBondContact N-O 2.97Å; V90-P185 CarbonylContact O-C 3.24Å; V90-P185 WeakPolarHBondContact O-CA 3.23Å; V90-V186 PolarHBondContact O-N 2.66Å; V90-V242 HydrophobicContact CG1-CG1 4.33Å
91C97.6Very high92.3Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-132.9145.9-177.6-171.70000111.8I102 L155 V156 F157 P158 V186 L188C91-I102 HydrophobicContact CB-CD1 4.07Å; C91-I102 VanDerWaalsContact SG-CD1 3.57Å; C91-L155 HydrophobicContact CB-CD1 3.9Å; C91-V156 PolarHBondContact N-O 2.78Å; C91-V156 VanDerWaalsContact N-O 3.09Å; C91-F157 HydrophobicContact CB-CD1 4.05Å; C91-F157 HydrophobicContact CB-CE1 3.82Å; C91-F157 WeakPolarHBondContact O-CA 3.09Å; C91-F157 WeakPolarHBondContact O-CD1 3.41Å; C91-P158 WeakPolarHBondContact O-CD 3.43Å; C91-V186 WeakPolarHBondContact CA-O 3.28Å; C91-V186 HydrophobicContact CB-CB 4.16Å; C91-V186 PolarHBondContact SG-O 3.48Å; C91-V186 VanDerWaalsContact SG-O 3.38Å; C91-L188 VanDerWaalsContact SG-CB 3.59Å
92N97.1Very high92.5Very high0 Ų033.2 Ų33.20%016%0.157CC..  trans-66.5156.9166.969.1-73.9000110.9V94 E159 L169 L188 L250N92-V94 WeakPolarHBondContact ND2-CG2 3.23Å; N92-E159 WeakPolarHBondContact CA-OE1 3.47Å; N92-E159 WeakPolarHBondContact CB-OE1 3.45Å; N92-L169 HydrophobicContact CB-CD2 3.66Å; N92-L188 PolarHBondContact ND2-O 3.21Å; N92-L188 PolarHBondContact OD1-N 3.01Å; N92-L188 PolarHBondContact OD1-O 2.76Å; N92-L250 HydrophobicContact CB-CD1 4.12Å; N92-L250 WeakPolarHBondContact OD1-CD1 3.29Å
93H95.3Very high92.5Very high23 Ų2331.7 Ų31.711%0.10616%0.156CC..  trans-119.7117.6-172.6-155.816.9000112.2T95 D98 F157 E159 T162 T163H93-T95 PolarHBondContact CE1-O 3.2Å; H93-T95 PolarHBondContact ND1-O 2.81Å; H93-D98 WeakPolarHBondContact CA-OD2 3.37Å; H93-D98 IonicContact CE1-OD2 3.95Å; H93-D98 IonicContact CG-OD2 2.64Å; H93-D98 IonicContact ND1-OD2 3.18Å; H93-D98 PolarHBondContact ND1-OD2 3.14Å; H93-F157 HydrophobicContact CB-CB 4.04Å; H93-F157 HydrophobicContact CB-CD1 3.83Å; H93-F157 HydrophobicContact CB-CG 4.19Å; H93-F157 AromaticContact CG-CD1 3.83Å; H93-F157 AromaticContact CG-CG 3.96Å; H93-F157 AromaticContact ND1-CD1 3.81Å; H93-E159 HydrophobicContact CB-CB 4.44Å; H93-E159 PolarHBondContact N-OE1 3.38Å; H93-T162 WeakPolarHBondContact O-CA 3.43Å; H93-T163 PolarHBondContact O-N 2.82Å; H93-T163 PolarHBondContact O-OG1 3.18Å
94V94.4Very high92.4Very high1 Ų129.6 Ų29.61%0.00614%0.144CC..  trans-121.2-36.9-175.2-170.20000111.7N92 D98 V190 L197N92-V94 WeakPolarHBondContact ND2-CG2 3.23Å; V94-D98 PolarHBondContact N-OD2 3.27Å; V94-V190 HydrophobicContact CB-CG2 4.04Å; V94-V190 HydrophobicContact CG1-CB 4.18Å; V94-V190 HydrophobicContact CG1-CG2 4.1Å; V94-L197 HydrophobicContact CG1-CD1 3.52Å
95T93.7Very high92.5Very high5 Ų522.4 Ų22.43%0.03111%0.114CC..SBendtrans-137.6153.4-179.780.90000112.4H93 F97 D98 V190 L197 Y219H93-T95 PolarHBondContact CE1-O 3.2Å; H93-T95 PolarHBondContact ND1-O 2.81Å; T95-F97 PolarHBondContact O-N 3.36Å; T95-F97 PolarHBondContact OG1-N 3.49Å; T95-D98 WeakPolarHBondContact CA-OD1 3.41Å; T95-D98 WeakPolarHBondContact CB-OD1 3.39Å; T95-D98 VanDerWaalsContact N-CG 3.28Å; T95-D98 PolarHBondContact N-OD1 2.85Å; T95-D98 VanDerWaalsContact N-OD1 3.08Å; T95-D98 PolarHBondContact N-OD2 2.78Å; T95-D98 WeakPolarHBondContact O-CB 3.11Å; T95-D98 PolarHBondContact O-N 3.07Å; T95-D98 VanDerWaalsContact O-N 3.08Å; T95-D98 VanDerWaalsContact O-OD2 3.07Å; T95-D98 PolarHBondContact OG1-N 2.65Å; T95-D98 PolarHBondContact OG1-OD1 2.95Å; T95-V190 HydrophobicContact CG2-CB 4.45Å; T95-V190 HydrophobicContact CG2-CG1 4.18Å; T95-V190 HydrophobicContact CG2-CG2 4.25Å; T95-L197 HydrophobicContact CG2-CB 4.29Å; T95-Y219 HydrophobicContact CG2-CE1 4.37Å; T95-Y219 PolarHBondContact OG1-OH 2.88Å
96E90.8Very high92.5Very high52 Ų5216.6 Ų16.624%0.2438%0.083CC..THydrogen-bonded Turntrans-59.5-8.8173.4-70.3-65.7139.300114.9H99 R124 W204E96-H99 PolarHBondContact O-CE1 3.38Å; E96-H99 PolarHBondContact O-ND1 2.96Å; E96-R124 PolarHBondContact O-NH2 3.48Å; E96-R124 IonicContact OE2-CZ 3.51Å; E96-R124 IonicContact OE2-NH1 3.2Å; E96-R124 PolarHBondContact OE2-NH1 3.45Å; E96-R124 IonicContact OE2-NH2 3Å; E96-R124 PolarHBondContact OE2-NH2 2.93Å; E96-W204 HydrophobicContact CB-CB 4Å; E96-W204 HydrophobicContact CG-CB 3.94Å
97F91.8Very high92.4Very high17 Ų1718.1 Ų18.18%0.0759%0.093CC..THydrogen-bonded Turntrans-108.42.8-178.8-58.2-73.3000113.3T95 H99 N100 I101 W204 D207 L208T95-F97 PolarHBondContact O-N 3.36Å; T95-F97 PolarHBondContact OG1-N 3.49Å; F97-H99 VanDerWaalsContact C-N 3.31Å; F97-H99 PolarHBondContact O-N 2.94Å; F97-N100 WeakPolarHBondContact O-CB 3.3Å; F97-N100 PolarHBondContact O-N 3.27Å; F97-N100 VanDerWaalsContact O-N 3.12Å; F97-I101 WeakPolarHBondContact O-CG1 3.41Å; F97-I101 PolarHBondContact O-N 3.2Å; F97-W204 HydrophobicContact CZ-CE3 4.32Å; F97-W204 WeakPolarHBondContact CZ-O 3.37Å; F97-D207 HydrophobicContact CE2-CB 4.35Å; F97-L208 HydrophobicContact CE1-CB 4.45Å; F97-L208 HydrophobicContact CE1-CD1 3.88Å; F97-L208 HydrophobicContact CE2-CB 4.15Å; F97-L208 HydrophobicContact CE2-CD1 4.25Å; F97-L208 HydrophobicContact CZ-CB 3.62Å; F97-L208 HydrophobicContact CZ-CD1 3.73Å; F97-L208 HydrophobicContact CZ-CD2 4.48Å; F97-L208 HydrophobicContact CZ-CG 4.12Å
98D94.1Very high92.3Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-56.7-44.2-175-66.7-13000112.3H93 V94 T95 N100 I101 I102 F157 L188H93-D98 WeakPolarHBondContact CA-OD2 3.37Å; H93-D98 IonicContact CE1-OD2 3.95Å; H93-D98 IonicContact CG-OD2 2.64Å; H93-D98 IonicContact ND1-OD2 3.18Å; H93-D98 PolarHBondContact ND1-OD2 3.14Å; V94-D98 PolarHBondContact N-OD2 3.27Å; T95-D98 WeakPolarHBondContact CA-OD1 3.41Å; T95-D98 WeakPolarHBondContact CB-OD1 3.39Å; T95-D98 VanDerWaalsContact N-CG 3.28Å; T95-D98 PolarHBondContact N-OD1 2.85Å; T95-D98 VanDerWaalsContact N-OD1 3.08Å; T95-D98 PolarHBondContact N-OD2 2.78Å; T95-D98 WeakPolarHBondContact O-CB 3.11Å; T95-D98 PolarHBondContact O-N 3.07Å; T95-D98 VanDerWaalsContact O-N 3.08Å; T95-D98 VanDerWaalsContact O-OD2 3.07Å; T95-D98 PolarHBondContact OG1-N 2.65Å; T95-D98 PolarHBondContact OG1-OD1 2.95Å; D98-N100 PolarHBondContact O-N 3.02Å; D98-I101 PolarHBondContact O-N 3.13Å; D98-I102 VanDerWaalsContact O-CG1 3.27Å; D98-I102 WeakPolarHBondContact O-CG1 3.27Å; D98-I102 PolarHBondContact O-N 3.1Å; D98-F157 HydrophobicContact CB-CE1 3.79Å; D98-F157 HydrophobicContact CB-CZ 3.87Å; D98-L188 HydrophobicContact CB-CD2 3.54Å; D98-L188 VanDerWaalsContact OD1-CD2 3.3Å; D98-L188 WeakPolarHBondContact OD1-CD2 3.24Å
99H92.5Very high92.1Very high4 Ų417.8 Ų17.82%0.01910%0.095CC..Hα-helixtrans-63.4-42.6178.169-64.1000111.9E96 F97 I101 I102 N103 T110 R124 F126 L155 F157E96-H99 PolarHBondContact O-CE1 3.38Å; E96-H99 PolarHBondContact O-ND1 2.96Å; F97-H99 VanDerWaalsContact C-N 3.31Å; F97-H99 PolarHBondContact O-N 2.94Å; H99-I101 VanDerWaalsContact C-N 3.31Å; H99-I101 PolarHBondContact O-N 3.41Å; H99-I102 PolarHBondContact O-N 3.26Å; H99-N103 WeakPolarHBondContact O-CB 3.11Å; H99-N103 PolarHBondContact O-N 3.49Å; H99-T110 HydrophobicContact CB-CG2 4.02Å; H99-R124 PolarHBondContact NE2-O 3.27Å; H99-F126 HydrophobicContact CB-CE1 4.4Å; H99-F126 AromaticContact CD2-CD1 3.84Å; H99-F126 AromaticContact CD2-CE1 3.56Å; H99-F126 AromaticContact CD2-CZ 3.73Å; H99-F126 AromaticContact CE1-CE1 3.78Å; H99-F126 AromaticContact CE1-CE2 3.37Å; H99-F126 WeakPolarHBondContact CE1-CE2 3.49Å; H99-F126 AromaticContact CE1-CZ 3.12Å; H99-F126 WeakPolarHBondContact CE1-CZ 3.49Å; H99-F126 AromaticContact CG-CE1 3.69Å; H99-F126 AromaticContact CG-CZ 3.82Å; H99-F126 AromaticContact ND1-CE1 3.89Å; H99-F126 AromaticContact ND1-CZ 3.53Å; H99-F126 AromaticContact NE2-CD1 3.96Å; H99-F126 AromaticContact NE2-CD2 3.67Å; H99-F126 AromaticContact NE2-CE1 3.61Å; H99-F126 AromaticContact NE2-CE2 3.31Å; H99-F126 VanDerWaalsContact NE2-CE2 3.31Å; H99-F126 WeakPolarHBondContact NE2-CE2 3.44Å; H99-F126 AromaticContact NE2-CG 3.99Å; H99-F126 AromaticContact NE2-CZ 3.28Å; H99-F126 VanDerWaalsContact NE2-CZ 3.28Å; H99-F126 WeakPolarHBondContact NE2-CZ 3.3Å; H99-L155 HydrophobicContact CB-CD2 4.25Å; H99-F157 HydrophobicContact CB-CE2 3.86Å; H99-F157 HydrophobicContact CB-CZ 3.99Å
100N90Very high91.9Very high50 Ų5017.9 Ų17.927%0.26710%0.095SC..Hα-helixtrans-57-48.4175.5-78-69.3000110.4F97 D98 N103 L104 R124F97-N100 WeakPolarHBondContact O-CB 3.3Å; F97-N100 PolarHBondContact O-N 3.27Å; F97-N100 VanDerWaalsContact O-N 3.12Å; D98-N100 PolarHBondContact O-N 3.02Å; N100-N103 WeakPolarHBondContact O-CB 3.42Å; N100-N103 PolarHBondContact O-N 3.32Å; N100-L104 WeakPolarHBondContact O-CG 3.39Å; N100-L104 PolarHBondContact O-N 2.81Å; N100-R124 PolarHBondContact ND2-O 3.17Å; N100-R124 PolarHBondContact OD1-O 3.36Å
101I91.6Very high91.5Very high2 Ų218.4 Ų18.41%0.0110%0.098CC..Hα-helixtrans-64-43.5-178.3-67.5-61.5000112M72 V74 F97 D98 H99 N103 L104 Y219M72-I101 HydrophobicContact CB-CD1 4.06Å; M72-I101 HydrophobicContact SD-CD1 4.29Å; V74-I101 HydrophobicContact CB-CG2 4.49Å; V74-I101 HydrophobicContact CG1-CG2 4.01Å; V74-I101 HydrophobicContact CG2-CD1 4.08Å; V74-I101 HydrophobicContact CG2-CG2 3.66Å; F97-I101 WeakPolarHBondContact O-CG1 3.41Å; F97-I101 PolarHBondContact O-N 3.2Å; D98-I101 PolarHBondContact O-N 3.13Å; H99-I101 VanDerWaalsContact C-N 3.31Å; H99-I101 PolarHBondContact O-N 3.41Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-L104 HydrophobicContact CD1-CD1 4.16Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 PolarHBondContact O-N 3.26Å; I101-Y219 HydrophobicContact CB-CD1 4.18Å; I101-Y219 HydrophobicContact CB-CE1 4.46Å; I101-Y219 HydrophobicContact CB-CG 4.36Å; I101-Y219 HydrophobicContact CD1-CD2 3.97Å; I101-Y219 HydrophobicContact CD1-CE2 3.95Å; I101-Y219 HydrophobicContact CD1-CG 4.4Å; I101-Y219 HydrophobicContact CG1-CD1 3.89Å; I101-Y219 HydrophobicContact CG1-CD2 3.98Å; I101-Y219 HydrophobicContact CG1-CE1 3.81Å; I101-Y219 HydrophobicContact CG1-CE2 3.89Å; I101-Y219 HydrophobicContact CG1-CG 3.99Å; I101-Y219 HydrophobicContact CG2-CD1 3.88Å; I101-Y219 HydrophobicContact CG2-CD2 4.33Å; I101-Y219 HydrophobicContact CG2-CG 3.72Å
102I92Very high90.9Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-67.4-36.8177.8-64.9165.2000110.2C91 D98 H99 L104 L105 T106 F108 L155 F157C91-I102 HydrophobicContact CB-CD1 4.07Å; C91-I102 VanDerWaalsContact SG-CD1 3.57Å; D98-I102 VanDerWaalsContact O-CG1 3.27Å; D98-I102 WeakPolarHBondContact O-CG1 3.27Å; D98-I102 PolarHBondContact O-N 3.1Å; H99-I102 PolarHBondContact O-N 3.26Å; I102-L104 PolarHBondContact O-N 2.86Å; I102-L105 WeakPolarHBondContact O-CB 3.5Å; I102-L105 PolarHBondContact O-N 2.86Å; I102-T106 PolarHBondContact O-N 3.27Å; I102-T106 VanDerWaalsContact O-N 3.13Å; I102-F108 HydrophobicContact CG2-CD2 3.64Å; I102-F108 HydrophobicContact CG2-CE2 3.47Å; I102-F108 VanDerWaalsContact CG2-CE2 3.47Å; I102-L155 HydrophobicContact CB-CD2 3.84Å; I102-L155 HydrophobicContact CD1-CD1 4.26Å; I102-L155 HydrophobicContact CD1-CD2 3.89Å; I102-L155 HydrophobicContact CG1-CD2 4.48Å; I102-L155 HydrophobicContact CG2-CD1 4.44Å; I102-L155 HydrophobicContact CG2-CD2 3.76Å; I102-F157 HydrophobicContact CD1-CE1 4.34Å; I102-F157 HydrophobicContact CD1-CZ 4.35Å
103N89.1Confident90Very high54 Ų5423.9 Ų23.929%0.28913%0.126SC..Hα-helixtrans-64-26.2177.4-160.630.4000113.1H99 N100 I101 L105 T106 P107 F108H99-N103 WeakPolarHBondContact O-CB 3.11Å; H99-N103 PolarHBondContact O-N 3.49Å; N100-N103 WeakPolarHBondContact O-CB 3.42Å; N100-N103 PolarHBondContact O-N 3.32Å; I101-N103 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.34Å; N103-T106 VanDerWaalsContact CA-O 3.27Å; N103-T106 WeakPolarHBondContact CA-O 3.43Å; N103-T106 PolarHBondContact OD1-O 2.88Å; N103-P107 VanDerWaalsContact OD1-CA 3.29Å; N103-P107 WeakPolarHBondContact OD1-CA 2.93Å; N103-F108 PolarHBondContact OD1-N 2.99Å; N103-F108 PolarHBondContact OD1-O 2.96Å
104L86.6Confident88.9Confident21 Ų2128.3 Ų28.311%0.1115%0.147CC..THydrogen-bonded Turntrans-63.7-23.8171.6-56.1-178.5000112.9V63 C67 V74 N100 I101 I102V63-L104 HydrophobicContact CB-CD2 4.16Å; V63-L104 HydrophobicContact CG1-CD2 3.36Å; C67-L104 HydrophobicContact CB-CD1 3.87Å; V74-L104 HydrophobicContact CG2-CD1 4.17Å; N100-L104 WeakPolarHBondContact O-CG 3.39Å; N100-L104 PolarHBondContact O-N 2.81Å; I101-L104 HydrophobicContact CD1-CD1 4.16Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 PolarHBondContact O-N 3.26Å; I102-L104 PolarHBondContact O-N 2.86Å
105L87.8Confident87.9Confident23 Ų2331.2 Ų31.212%0.1218%0.176CC..THydrogen-bonded Turntrans-96.6-41.5-176.3-49.1-176.8000112R64 V74 Q76 I102 N103 V221 W223R64-L105 VanDerWaalsContact NH1-CD2 3.34Å; V74-L105 HydrophobicContact CB-CD2 4.26Å; V74-L105 HydrophobicContact CG1-CD1 3.84Å; V74-L105 HydrophobicContact CG1-CD2 3.57Å; V74-L105 HydrophobicContact CG1-CG 4.06Å; Q76-L105 HydrophobicContact CG-CD1 3.64Å; Q76-L105 HydrophobicContact CG-CD2 4.15Å; Q76-L105 HydrophobicContact CG-CG 4.44Å; I102-L105 WeakPolarHBondContact O-CB 3.5Å; I102-L105 PolarHBondContact O-N 2.86Å; N103-L105 PolarHBondContact O-N 3.34Å; L105-V221 HydrophobicContact CD1-CB 3.83Å; L105-V221 HydrophobicContact CD1-CG1 3.9Å; L105-V221 HydrophobicContact CD1-CG2 3.72Å; L105-W223 HydrophobicContact CB-CZ2 4.49Å
106T86.9Confident86.7Confident12 Ų1233 Ų337%0.07419%0.189CC..SBendtrans-144.7132.2-176.9-49.60000107.9R82 I102 N103 F108 W223R82-T106 PolarHBondContact NH1-OG1 3.44Å; I102-T106 PolarHBondContact O-N 3.27Å; I102-T106 VanDerWaalsContact O-N 3.13Å; N103-T106 VanDerWaalsContact CA-O 3.27Å; N103-T106 WeakPolarHBondContact CA-O 3.43Å; N103-T106 PolarHBondContact OD1-O 2.88Å; T106-F108 VanDerWaalsContact CB-CE2 3.46Å; T106-F108 HydrophobicContact CG2-CD2 4.33Å; T106-F108 HydrophobicContact CG2-CE1 4.3Å; T106-F108 HydrophobicContact CG2-CE2 3.84Å; T106-F108 HydrophobicContact CG2-CZ 3.8Å; T106-F108 VanDerWaalsContact O-CD2 3.22Å; T106-F108 WeakPolarHBondContact O-CD2 3.23Å; T106-F108 PolarHBondContact O-N 3.35Å; T106-F108 VanDerWaalsContact O-N 3.07Å; T106-W223 WeakPolarHBondContact OG1-CH2 3.45Å
107P87.6Confident86.2Confident43 Ų4334.5 Ų34.528%0.27920%0.202SC..  trans-66.5111.3177.228.1-32.2000109.8R60 N103R60-P107 VanDerWaalsContact NH2-CB 3.32Å; N103-P107 VanDerWaalsContact OD1-CA 3.29Å; N103-P107 WeakPolarHBondContact OD1-CA 2.93Å
108F90.7Very high85.9Confident8 Ų835.1 Ų35.14%0.03521%0.213CC..  trans-118.5150.8172.6-69.3-74.5000110.2S89 I102 N103 T106 P153 L155 W223S89-F108 VanDerWaalsContact OG-CE1 3.28Å; S89-F108 WeakPolarHBondContact OG-CE1 3.38Å; S89-F108 WeakPolarHBondContact OG-CZ 3.32Å; I102-F108 HydrophobicContact CG2-CD2 3.64Å; I102-F108 HydrophobicContact CG2-CE2 3.47Å; I102-F108 VanDerWaalsContact CG2-CE2 3.47Å; N103-F108 PolarHBondContact OD1-N 2.99Å; N103-F108 PolarHBondContact OD1-O 2.96Å; T106-F108 VanDerWaalsContact CB-CE2 3.46Å; T106-F108 HydrophobicContact CG2-CD2 4.33Å; T106-F108 HydrophobicContact CG2-CE1 4.3Å; T106-F108 HydrophobicContact CG2-CE2 3.84Å; T106-F108 HydrophobicContact CG2-CZ 3.8Å; T106-F108 VanDerWaalsContact O-CD2 3.22Å; T106-F108 WeakPolarHBondContact O-CD2 3.23Å; T106-F108 PolarHBondContact O-N 3.35Å; T106-F108 VanDerWaalsContact O-N 3.07Å; F108-P153 WeakPolarHBondContact CA-O 3.38Å; F108-P153 HydrophobicContact CD1-CB 3.77Å; F108-P153 HydrophobicContact CD1-CG 3.53Å; F108-P153 WeakPolarHBondContact CD1-O 3.49Å; F108-P153 HydrophobicContact CE1-CB 3.74Å; F108-P153 HydrophobicContact CE1-CG 3.54Å; F108-L155 HydrophobicContact CB-CB 3.63Å; F108-L155 HydrophobicContact CD1-CB 4.01Å; F108-L155 HydrophobicContact CD2-CB 4.22Å; F108-L155 HydrophobicContact CD2-CD2 4.37Å; F108-L155 HydrophobicContact CG-CB 3.73Å; F108-W223 AromaticContact CE2-CH2 3.78Å; F108-W223 HydrophobicContact CE2-CH2 3.78Å; F108-W223 HydrophobicContact CE2-CZ3 4.41Å; F108-W223 AromaticContact CZ-CH2 3.81Å; F108-W223 HydrophobicContact CZ-CH2 3.81Å; F108-W223 HydrophobicContact CZ-CZ3 4.02Å
109N91.3Very high85.3Confident55 Ų5541.8 Ų41.829%0.29424%0.243SC..BIsolated β-bridgetrans-97.3121.9161-77.8-24.3000108.9M127 Y145 P153 L154 L155N109-M127 HydrophobicContact CB-CB 4.44Å; N109-M127 HydrophobicContact CB-CE 4.49Å; N109-M127 HydrophobicContact CB-SD 3.98Å; N109-Y145 PolarHBondContact ND2-OH 3.14Å; N109-P153 PolarHBondContact N-O 3.02Å; N109-L154 HydrophobicContact CB-CD2 4.04Å; N109-L154 WeakPolarHBondContact O-CA 3.43Å; N109-L154 WeakPolarHBondContact O-CD2 3.41Å; N109-L155 PolarHBondContact O-N 3.34Å
110T91.8Very high84.8Confident6 Ų646.1 Ų46.14%0.03726%0.264CS..  trans-107.6115.3177-61.70000108.8H99 F126 M127 L155 F157H99-T110 HydrophobicContact CB-CG2 4.02Å; T110-F126 HydrophobicContact CG2-CD1 3.74Å; T110-F126 HydrophobicContact CG2-CE1 3.66Å; T110-M127 PolarHBondContact O-N 2.95Å; T110-L155 WeakPolarHBondContact CG2-O 3.48Å; T110-L155 PolarHBondContact OG1-O 2.94Å; T110-F157 HydrophobicContact CG2-CD2 4.42Å; T110-F157 HydrophobicContact CG2-CE2 3.99Å
111P88.9Confident84.5Confident10 Ų1043.9 Ų43.97%0.06525%0.252CS..EExtended strand (participates in β ladder)trans-70133.1179.228.4-33.7000112L113 M127 I129 L142 V156P111-L113 HydrophobicContact CB-CD2 4.43Å; P111-L113 PolarHBondContact O-N 3.16Å; P111-M127 HydrophobicContact CB-CE 3.96Å; P111-I129 HydrophobicContact CB-CD1 3.45Å; P111-I129 VanDerWaalsContact CB-CD1 3.45Å; P111-I129 HydrophobicContact CB-CG1 4.02Å; P111-L142 HydrophobicContact CB-CD1 4.39Å; P111-L142 HydrophobicContact CB-CD2 4.22Å; P111-L142 HydrophobicContact CG-CD1 4.24Å; P111-L142 HydrophobicContact CG-CD2 4.42Å; P111-V156 HydrophobicContact CG-CG2 4.28Å
112Q85.3Confident84.2Confident39 Ų3950.8 Ų50.818%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-81.6106.5167.3-169.473.135.500109.1E114 F126 M127Q112-E114 PolarHBondContact NE2-O 2.99Å; Q112-F126 HydrophobicContact CB-CB 4.04Å; Q112-F126 HydrophobicContact CB-CG 4.38Å; Q112-M127 PolarHBondContact N-O 3.3Å
113L78.2Confident83.7Confident76 Ų7652.4 Ų52.440%0.39829%0.292SS..  trans-89.5-35.7-178.9-61.3167.7000112.7P111 I129 V138 W175P111-L113 HydrophobicContact CB-CD2 4.43Å; P111-L113 PolarHBondContact O-N 3.16Å; L113-I129 HydrophobicContact CD2-CD1 4.29Å; L113-V138 HydrophobicContact CD2-CG1 3.98Å; L113-W175 HydrophobicContact CD1-CH2 3.53Å; L113-W175 HydrophobicContact CD1-CZ2 3.14Å; L113-W175 HydrophobicContact CD2-CH2 4.25Å; L113-W175 HydrophobicContact CG-CH2 4.48Å; L113-W175 HydrophobicContact CG-CZ2 4.42Å
114E72Confident83.4Confident117 Ų11751.1 Ų51.155%0.54728%0.283SS..SBendtrans-138.5118.8178.5-70.4179-152.900108.9Q112 K259Q112-E114 PolarHBondContact NE2-O 2.99Å; E114-K259 IonicContact OE1-NZ 2.97Å; E114-K259 PolarHBondContact OE1-NZ 3.1Å; E114-K259 IonicContact OE2-NZ 3.89Å; E114-K259 PolarHBondContact OE2-NZ 3.12Å
115G72.6Confident83.1Confident61 Ų6151.9 Ų51.963%0.62930%0.296SS*.SBendtrans154.8-165.6176.900000114.9
116S70.1Confident83.1Confident42 Ų4252.2 Ų52.229%0.29430%0.296SS..  trans-71.6134.5178.554.50000111.9M120 C121S116-M120 WeakPolarHBondContact OG-CB 3.42Å; S116-C121 WeakPolarHBondContact O-CB 3.36Å
117T79.9Confident83Confident84 Ų8453.2 Ų53.252%0.51530%0.3SS..  trans-88.6171.8172.9470000112.4E128T117-E128 WeakPolarHBondContact CB-OE1 3.19Å; T117-E128 WeakPolarHBondContact CG2-OE1 3.46Å
118G84.2Confident82.8Confident31 Ų3154.8 Ų54.832%0.3230%0.304SS..THydrogen-bonded Turntrans68.8-136.3175.400000114.7M120 C121 W122 E128G118-M120 VanDerWaalsContact C-N 3.31Å; G118-M120 PolarHBondContact O-N 3.42Å; G118-C121 WeakPolarHBondContact O-CB 3.37Å; G118-C121 PolarHBondContact O-N 3.23Å; G118-C121 VanDerWaalsContact O-N 3.09Å; G118-W122 PolarHBondContact O-N 2.98Å; G118-E128 PolarHBondContact N-OE1 3.33Å
119F81.8Confident82.3Confident139 Ų13955 Ų5561%0.6131%0.305SS*.Hα-helixtrans-56.9-39.5-169.4177.9-100.1000113.8F47 W122 A123F47-F119 HydrophobicContact CE1-CZ 4.39Å; F47-F119 HydrophobicContact CZ-CZ 4.33Å; F119-W122 AromaticContact CD2-CE3 3.98Å; F119-W122 HydrophobicContact CD2-CE3 3.98Å; F119-W122 HydrophobicContact CD2-CZ3 4.25Å; F119-W122 AromaticContact CE2-CE3 3.88Å; F119-W122 HydrophobicContact CE2-CE3 3.88Å; F119-W122 AromaticContact CE2-CZ3 3.72Å; F119-W122 HydrophobicContact CE2-CZ3 3.72Å; F119-W122 PolarHBondContact O-N 3.4Å; F119-A123 HydrophobicContact CE1-CB 4.19Å; F119-A123 HydrophobicContact CZ-CB 4.24Å; F119-A123 WeakPolarHBondContact O-CB 3.27Å; F119-A123 PolarHBondContact O-N 3.32Å
120M82.9Confident81.1Confident96 Ų9659.5 Ų59.547%0.47332%0.324SS..Hα-helixtrans-68.8-35.4-179.7-70.8-169.5-72.600112.5S116 G118 R124S116-M120 WeakPolarHBondContact OG-CB 3.42Å; G118-M120 VanDerWaalsContact C-N 3.31Å; G118-M120 PolarHBondContact O-N 3.42Å; M120-R124 WeakPolarHBondContact O-CB 3.48Å; M120-R124 WeakPolarHBondContact O-CG 3.21Å; M120-R124 PolarHBondContact O-N 2.69Å
121C84.1Confident79.4Confident2 Ų263.6 Ų63.61%0.01435%0.353CS..Hα-helixtrans-62.6-52.4172.7-1740000110.3S116 G118 R124 G125 F126S116-C121 WeakPolarHBondContact O-CB 3.36Å; G118-C121 WeakPolarHBondContact O-CB 3.37Å; G118-C121 PolarHBondContact O-N 3.23Å; G118-C121 VanDerWaalsContact O-N 3.09Å; C121-R124 PolarHBondContact O-N 2.98Å; C121-G125 PolarHBondContact O-N 3.3Å; C121-F126 PolarHBondContact O-N 2.92Å; C121-F126 VanDerWaalsContact SG-CB 3.55Å
122W84.5Confident77.6Confident148 Ų14868.2 Ų68.256%0.56139%0.392SS*.Hα-helixtrans-61.2-47.1179.917484.3000112.7F47 C51 G118 F119 R124 G125F47-W122 AromaticContact CZ-CZ3 3.95Å; F47-W122 HydrophobicContact CZ-CZ3 3.95Å; C51-W122 HydrophobicContact CB-CH2 4.2Å; C51-W122 WeakPolarHBondContact SG-CH2 3.29Å; G118-W122 PolarHBondContact O-N 2.98Å; F119-W122 AromaticContact CD2-CE3 3.98Å; F119-W122 HydrophobicContact CD2-CE3 3.98Å; F119-W122 HydrophobicContact CD2-CZ3 4.25Å; F119-W122 AromaticContact CE2-CE3 3.88Å; F119-W122 HydrophobicContact CE2-CE3 3.88Å; F119-W122 AromaticContact CE2-CZ3 3.72Å; F119-W122 HydrophobicContact CE2-CZ3 3.72Å; F119-W122 PolarHBondContact O-N 3.4Å; W122-R124 PolarHBondContact O-N 3.28Å; W122-G125 WeakPolarHBondContact O-CA 3.48Å; W122-G125 PolarHBondContact O-N 2.96Å
123A80.8Confident76.2Confident34 Ų3469 Ų6928%0.28140%0.402SS..Hα-helixtrans-63.4-30.6-178.600000112.1F47 F119 G125F47-A123 HydrophobicContact CE2-CB 3.95Å; F47-A123 HydrophobicContact CZ-CB 3.74Å; F119-A123 HydrophobicContact CE1-CB 4.19Å; F119-A123 HydrophobicContact CZ-CB 4.24Å; F119-A123 WeakPolarHBondContact O-CB 3.27Å; F119-A123 PolarHBondContact O-N 3.32Å; A123-G125 VanDerWaalsContact C-N 3.27Å
124R84.3Confident75.7Confident27 Ų2768.1 Ų68.110%0.10241%0.411CS..THydrogen-bonded Turntrans-81.5-3.3173.7-72.4-174.665.9171.5-8.1113.2E96 H99 N100 M120 C121 W122 F126 W204E96-R124 PolarHBondContact O-NH2 3.48Å; E96-R124 IonicContact OE2-CZ 3.51Å; E96-R124 IonicContact OE2-NH1 3.2Å; E96-R124 PolarHBondContact OE2-NH1 3.45Å; E96-R124 IonicContact OE2-NH2 3Å; E96-R124 PolarHBondContact OE2-NH2 2.93Å; H99-R124 PolarHBondContact NE2-O 3.27Å; N100-R124 PolarHBondContact ND2-O 3.17Å; N100-R124 PolarHBondContact OD1-O 3.36Å; M120-R124 WeakPolarHBondContact O-CB 3.48Å; M120-R124 WeakPolarHBondContact O-CG 3.21Å; M120-R124 PolarHBondContact O-N 2.69Å; C121-R124 PolarHBondContact O-N 2.98Å; W122-R124 PolarHBondContact O-N 3.28Å; R124-F126 HydrophobicContact CB-CD2 3.57Å; R124-F126 HydrophobicContact CB-CE2 3.83Å; R124-W204 VanDerWaalsContact NH1-CB 3.27Å
125G80.3Confident75.6Confident37 Ų3770.6 Ų70.638%0.38142%0.423SS..THydrogen-bonded Turntrans75.623.717900000114.2C121 W122 A123C121-G125 PolarHBondContact O-N 3.3Å; W122-G125 WeakPolarHBondContact O-CA 3.48Å; W122-G125 PolarHBondContact O-N 2.96Å; A123-G125 VanDerWaalsContact C-N 3.27Å
126F86.4Confident75.8Confident30 Ų3075.9 Ų75.913%0.13243%0.431CS..  trans-87.8150.8174.8-72.3-74.6000111.9H99 T110 Q112 C121 R124H99-F126 HydrophobicContact CB-CE1 4.4Å; H99-F126 AromaticContact CD2-CD1 3.84Å; H99-F126 AromaticContact CD2-CE1 3.56Å; H99-F126 AromaticContact CD2-CZ 3.73Å; H99-F126 AromaticContact CE1-CE1 3.78Å; H99-F126 AromaticContact CE1-CE2 3.37Å; H99-F126 WeakPolarHBondContact CE1-CE2 3.49Å; H99-F126 AromaticContact CE1-CZ 3.12Å; H99-F126 WeakPolarHBondContact CE1-CZ 3.49Å; H99-F126 AromaticContact CG-CE1 3.69Å; H99-F126 AromaticContact CG-CZ 3.82Å; H99-F126 AromaticContact ND1-CE1 3.89Å; H99-F126 AromaticContact ND1-CZ 3.53Å; H99-F126 AromaticContact NE2-CD1 3.96Å; H99-F126 AromaticContact NE2-CD2 3.67Å; H99-F126 AromaticContact NE2-CE1 3.61Å; H99-F126 AromaticContact NE2-CE2 3.31Å; H99-F126 VanDerWaalsContact NE2-CE2 3.31Å; H99-F126 WeakPolarHBondContact NE2-CE2 3.44Å; H99-F126 AromaticContact NE2-CG 3.99Å; H99-F126 AromaticContact NE2-CZ 3.28Å; H99-F126 VanDerWaalsContact NE2-CZ 3.28Å; H99-F126 WeakPolarHBondContact NE2-CZ 3.3Å; T110-F126 HydrophobicContact CG2-CD1 3.74Å; T110-F126 HydrophobicContact CG2-CE1 3.66Å; Q112-F126 HydrophobicContact CB-CB 4.04Å; Q112-F126 HydrophobicContact CB-CG 4.38Å; C121-F126 PolarHBondContact O-N 2.92Å; C121-F126 VanDerWaalsContact SG-CB 3.55Å; R124-F126 HydrophobicContact CB-CD2 3.57Å; R124-F126 HydrophobicContact CB-CE2 3.83Å
127M85Confident76.3Confident32 Ų3275.7 Ų75.716%0.15843%0.432CS..EExtended strand (participates in β ladder)trans-83.3114.9169.4-179175.868.200108.6N109 T110 P111 Q112 I129 L142 Y145 L154N109-M127 HydrophobicContact CB-CB 4.44Å; N109-M127 HydrophobicContact CB-CE 4.49Å; N109-M127 HydrophobicContact CB-SD 3.98Å; T110-M127 PolarHBondContact O-N 2.95Å; P111-M127 HydrophobicContact CB-CE 3.96Å; Q112-M127 PolarHBondContact N-O 3.3Å; M127-I129 PolarHBondContact O-N 2.96Å; M127-L142 HydrophobicContact CE-CD2 3.74Å; M127-Y145 HydrophobicContact SD-CE2 4.29Å; M127-L154 HydrophobicContact CE-CD2 3.83Å
128E83Confident76.6Confident77 Ų7772.7 Ų72.736%0.3641%0.413SS..EExtended strand (participates in β ladder)trans-71.9118.8176.7-173.1165.2-158.900110.3T117 G118T117-E128 WeakPolarHBondContact CB-OE1 3.19Å; T117-E128 WeakPolarHBondContact CG2-OE1 3.46Å; G118-E128 PolarHBondContact N-OE1 3.33Å
129I80.4Confident76.6Confident12 Ų1272.1 Ų72.16%0.06241%0.407CS..  trans-96.4120.7167.7-53.2-170.1000106.6P111 L113 M127 S131 V138 L142P111-I129 HydrophobicContact CB-CD1 3.45Å; P111-I129 VanDerWaalsContact CB-CD1 3.45Å; P111-I129 HydrophobicContact CB-CG1 4.02Å; L113-I129 HydrophobicContact CD2-CD1 4.29Å; M127-I129 PolarHBondContact O-N 2.96Å; I129-S131 PolarHBondContact O-N 3.47Å; I129-S131 PolarHBondContact O-OG 2.9Å; I129-V138 HydrophobicContact CD1-CG1 3.63Å; I129-V138 HydrophobicContact CG2-CB 4.45Å; I129-V138 HydrophobicContact CG2-CG1 4.08Å; I129-V138 HydrophobicContact CG2-CG2 3.88Å; I129-L142 HydrophobicContact CD1-CD1 4.03Å; I129-L142 HydrophobicContact CD1-CD2 3.89Å; I129-L142 HydrophobicContact CD1-CG 4.07Å
130H66.2Low76.9Confident150 Ų15070.2 Ų70.269%0.69440%0.4SS*.  trans-61.9104.6-179.4-70.167.3000108.9A132H130-A132 PolarHBondContact O-N 2.75Å
131S56.3Low77.2Confident92 Ų9270.5 Ų70.564%0.64340%0.399SS*.THydrogen-bonded Turntrans-69.614.2-169.9-43.30000114.9I129 S133I129-S131 PolarHBondContact O-N 3.47Å; I129-S131 PolarHBondContact O-OG 2.9Å; S131-S133 VanDerWaalsContact C-N 3.3Å; S131-S133 PolarHBondContact O-N 3.37Å
132A50.3Low77.5Confident106 Ų10670.4 Ų70.488%0.87640%0.398SS*.THydrogen-bonded Turntrans-79.8-10.3-176.800000113.5H130H130-A132 PolarHBondContact O-N 2.75Å
133S56.3Low77.8Confident56 Ų5667.9 Ų67.939%0.39239%0.393SS..SBendtrans-124.1129179.5580000108.9S131 A137S131-S133 VanDerWaalsContact C-N 3.3Å; S131-S133 PolarHBondContact O-N 3.37Å; S133-A137 VanDerWaalsContact CB-CB 3.42Å; S133-A137 WeakPolarHBondContact OG-CB 3.2Å
134G67.3Low78.3Confident57 Ų5774.5 Ų74.559%0.58841%0.41SS*.  trans-55.8178.2-171.600000115.9E136 A137 V138G134-E136 PolarHBondContact O-N 3.4Å; G134-A137 PolarHBondContact O-N 2.85Å; G134-V138 PolarHBondContact O-N 3.39Å
135Q70.6Confident78.6Confident170 Ų17075 Ų7579%0.79441%0.413SS*.Hα-helixtrans-53.3-33.3-172.6-72.4-162.8-30.600114.5V138 G139Q135-V138 PolarHBondContact O-N 3.35Å; Q135-G139 PolarHBondContact O-N 3.18Å
136E77.3Confident79Confident172 Ų17273.5 Ų73.580%0.80440%0.396SS*.Hα-helixtrans-64.5-44.4177-65.8-179.7167.500112.3G134 V138 G139 E140G134-E136 PolarHBondContact O-N 3.4Å; E136-V138 VanDerWaalsContact C-N 3.3Å; E136-V138 PolarHBondContact O-N 3.47Å; E136-G139 PolarHBondContact O-N 3.33Å; E136-G139 VanDerWaalsContact O-N 3.16Å; E136-E140 PolarHBondContact O-N 3.13Å
137A81.4Confident79.1Confident37 Ų3776.8 Ų76.831%0.30642%0.423SS..Hα-helixtrans-67.3-33.4178.200000112.1S133 G134 F141S133-A137 VanDerWaalsContact CB-CB 3.42Å; S133-A137 WeakPolarHBondContact OG-CB 3.2Å; G134-A137 PolarHBondContact O-N 2.85Å; A137-F141 WeakPolarHBondContact O-CB 3.44Å; A137-F141 PolarHBondContact O-N 3.05Å
138V84.3Confident79.3Confident22 Ų2277.3 Ų77.313%0.13343%0.432CS..Hα-helixtrans-63.6-44.5171.6175.20000110.7L113 I129 G134 Q135 E136 F141 L142L113-V138 HydrophobicContact CD2-CG1 3.98Å; I129-V138 HydrophobicContact CD1-CG1 3.63Å; I129-V138 HydrophobicContact CG2-CB 4.45Å; I129-V138 HydrophobicContact CG2-CG1 4.08Å; I129-V138 HydrophobicContact CG2-CG2 3.88Å; G134-V138 PolarHBondContact O-N 3.39Å; Q135-V138 PolarHBondContact O-N 3.35Å; E136-V138 VanDerWaalsContact C-N 3.3Å; E136-V138 PolarHBondContact O-N 3.47Å; V138-F141 PolarHBondContact O-N 2.94Å; V138-L142 HydrophobicContact CG1-CD1 4.05Å; V138-L142 HydrophobicContact CG1-CG 4.45Å; V138-L142 WeakPolarHBondContact O-CG 3.36Å; V138-L142 PolarHBondContact O-N 3.02Å
139G85.8Confident79.3Confident18 Ų1881.1 Ų81.119%0.18646%0.455CS..Hα-helixtrans-58.5-48.3175.300000112.4Q135 E136 F141 L142 Q143Q135-G139 PolarHBondContact O-N 3.18Å; E136-G139 PolarHBondContact O-N 3.33Å; E136-G139 VanDerWaalsContact O-N 3.16Å; G139-F141 PolarHBondContact O-N 2.8Å; G139-L142 PolarHBondContact O-N 2.72Å; G139-Q143 WeakPolarHBondContact O-CB 3.41Å; G139-Q143 PolarHBondContact O-N 2.89Å
140E87.3Confident79.4Confident100 Ų10084 Ų8447%0.46749%0.488SS..Hα-helixtrans-61-43.9176.4-74.6-167.1-165.600112.7E136 L142 Q143 R144E136-E140 PolarHBondContact O-N 3.13Å; E140-L142 PolarHBondContact O-N 3.34Å; E140-Q143 PolarHBondContact O-N 2.85Å; E140-R144 WeakPolarHBondContact O-CG 3.49Å; E140-R144 PolarHBondContact O-N 2.84Å; E140-R144 IonicContact OE2-CZ 3.51Å; E140-R144 IonicContact OE2-NH2 2.74Å; E140-R144 PolarHBondContact OE2-NH2 3.4Å
141F89.3Confident80.3Confident101 Ų10178 Ų7844%0.44346%0.464SS..Hα-helixtrans-59.7-47.3177.7172.4-99.2000111.3A137 V138 G139 Q143 R144 Y145A137-F141 WeakPolarHBondContact O-CB 3.44Å; A137-F141 PolarHBondContact O-N 3.05Å; V138-F141 PolarHBondContact O-N 2.94Å; G139-F141 PolarHBondContact O-N 2.8Å; F141-Q143 VanDerWaalsContact C-N 3.34Å; F141-Q143 PolarHBondContact O-N 2.71Å; F141-R144 PolarHBondContact O-N 3.07Å; F141-Y145 WeakPolarHBondContact O-CB 3.08Å; F141-Y145 PolarHBondContact O-N 3.04Å
142L91.3Very high81.8Confident0 Ų076.1 Ų76.10%045%0.45CS..Hα-helixtrans-66.7-35.4179.1-69.1178.7000112.2P111 M127 I129 V138 G139 E140 Y145 C146 L154 W175 L179P111-L142 HydrophobicContact CB-CD1 4.39Å; P111-L142 HydrophobicContact CB-CD2 4.22Å; P111-L142 HydrophobicContact CG-CD1 4.24Å; P111-L142 HydrophobicContact CG-CD2 4.42Å; M127-L142 HydrophobicContact CE-CD2 3.74Å; I129-L142 HydrophobicContact CD1-CD1 4.03Å; I129-L142 HydrophobicContact CD1-CD2 3.89Å; I129-L142 HydrophobicContact CD1-CG 4.07Å; V138-L142 HydrophobicContact CG1-CD1 4.05Å; V138-L142 HydrophobicContact CG1-CG 4.45Å; V138-L142 WeakPolarHBondContact O-CG 3.36Å; V138-L142 PolarHBondContact O-N 3.02Å; G139-L142 PolarHBondContact O-N 2.72Å; E140-L142 PolarHBondContact O-N 3.34Å; L142-Y145 WeakPolarHBondContact O-CB 3.33Å; L142-Y145 PolarHBondContact O-N 2.89Å; L142-C146 PolarHBondContact O-N 2.74Å; L142-C146 PolarHBondContact O-SG 3.25Å; L142-L154 HydrophobicContact CB-CD1 4.33Å; L142-L154 HydrophobicContact CD2-CD1 3.92Å; L142-W175 HydrophobicContact CD1-CH2 4.3Å; L142-W175 HydrophobicContact CD1-CZ3 3.82Å; L142-L179 HydrophobicContact CB-CD1 4.19Å; L142-L179 HydrophobicContact CB-CD2 3.72Å
143Q90.8Very high83.9Confident95 Ų9572.6 Ų72.644%0.44442%0.418SS..Hα-helixtrans-66-43.2175.5-170.4179.126.700111.6G139 E140 F141 Y145 C146 S147 L179G139-Q143 WeakPolarHBondContact O-CB 3.41Å; G139-Q143 PolarHBondContact O-N 2.89Å; E140-Q143 PolarHBondContact O-N 2.85Å; F141-Q143 VanDerWaalsContact C-N 3.34Å; F141-Q143 PolarHBondContact O-N 2.71Å; Q143-Y145 VanDerWaalsContact C-N 3.31Å; Q143-Y145 PolarHBondContact O-N 3.08Å; Q143-C146 PolarHBondContact O-N 3.49Å; Q143-S147 PolarHBondContact O-N 2.84Å; Q143-S147 VanDerWaalsContact O-N 3.14Å; Q143-S147 PolarHBondContact O-OG 2.59Å; Q143-L179 HydrophobicContact CB-CD2 4.28Å
144R90.1Very high85.7Confident173 Ų17370 Ų7065%0.65340%0.399SS*.Hα-helixtrans-62.9-40.3173.2-69.4177.7-161.4179.29.9111.1E140 F141 S147 A148E140-R144 WeakPolarHBondContact O-CG 3.49Å; E140-R144 PolarHBondContact O-N 2.84Å; E140-R144 IonicContact OE2-CZ 3.51Å; E140-R144 IonicContact OE2-NH2 2.74Å; E140-R144 PolarHBondContact OE2-NH2 3.4Å; F141-R144 PolarHBondContact O-N 3.07Å; R144-S147 PolarHBondContact O-N 3.3Å; R144-A148 PolarHBondContact O-N 3.5Å
145Y90.8Very high87.1Confident38 Ų3867.2 Ų67.215%0.14937%0.371CS..Hα-helixtrans-61.5-44.9176.3-179.7-80000112N109 M127 F141 L142 Q143 S147 A148 A151 P152 L154N109-Y145 PolarHBondContact ND2-OH 3.14Å; M127-Y145 HydrophobicContact SD-CE2 4.29Å; F141-Y145 WeakPolarHBondContact O-CB 3.08Å; F141-Y145 PolarHBondContact O-N 3.04Å; L142-Y145 WeakPolarHBondContact O-CB 3.33Å; L142-Y145 PolarHBondContact O-N 2.89Å; Q143-Y145 VanDerWaalsContact C-N 3.31Å; Q143-Y145 PolarHBondContact O-N 3.08Å; Y145-S147 PolarHBondContact O-N 3.23Å; Y145-A148 WeakPolarHBondContact O-CB 3.11Å; Y145-A148 PolarHBondContact O-N 3.08Å; Y145-A151 HydrophobicContact CE1-CB 4.1Å; Y145-A151 HydrophobicContact CE2-CB 4.09Å; Y145-P152 WeakPolarHBondContact CE1-O 3.44Å; Y145-P152 WeakPolarHBondContact OH-CD 3.32Å; Y145-P152 PolarHBondContact OH-O 3.3Å; Y145-L154 HydrophobicContact CD1-CD1 3.8Å; Y145-L154 HydrophobicContact CD1-CD2 3.52Å; Y145-L154 HydrophobicContact CD1-CG 3.55Å; Y145-L154 HydrophobicContact CE1-CD1 4.34Å; Y145-L154 HydrophobicContact CE1-CD2 3.31Å; Y145-L154 HydrophobicContact CE1-CG 3.57Å; Y145-L154 HydrophobicContact CG-CD2 4.45Å
146C89.9Confident88.3Confident6 Ų659.3 Ų59.34%0.04134%0.335CS..Hα-helixtrans-61.6-33.9175.6-76.30000112.9K87 L142 Q143 A148 L154 T180K87-C146 HydrophobicContact CB-CB 4.43Å; K87-C146 WeakPolarHBondContact CG-O 3.39Å; L142-C146 PolarHBondContact O-N 2.74Å; L142-C146 PolarHBondContact O-SG 3.25Å; Q143-C146 PolarHBondContact O-N 3.49Å; C146-A148 VanDerWaalsContact C-N 3.35Å; C146-L154 VanDerWaalsContact SG-CD1 3.5Å; C146-T180 HydrophobicContact CB-CG2 3.7Å
147S88.3Confident89.2Confident99 Ų9952.1 Ų52.169%0.69230%0.301SS*.Hα-helixtrans-79.5-17.2178.9-56.90000113.4Q143 R144 Y145Q143-S147 PolarHBondContact O-N 2.84Å; Q143-S147 VanDerWaalsContact O-N 3.14Å; Q143-S147 PolarHBondContact O-OG 2.59Å; R144-S147 PolarHBondContact O-N 3.3Å; Y145-S147 PolarHBondContact O-N 3.23Å
148A88.5Confident89.9Confident42 Ų4250.4 Ų50.435%0.34729%0.286SS..SBendtrans-71.2136.6-179.100000111.4K87 R144 Y145 C146 A151K87-A148 PolarHBondContact NZ-O 2.88Å; R144-A148 PolarHBondContact O-N 3.5Å; Y145-A148 WeakPolarHBondContact O-CB 3.11Å; Y145-A148 PolarHBondContact O-N 3.08Å; C146-A148 VanDerWaalsContact C-N 3.35Å; A148-A151 HydrophobicContact CB-CB 4.34Å
149D82.6Confident90.3Very high157 Ų15749.4 Ų49.484%0.8428%0.28SS*.THydrogen-bonded Turntrans-79.6147.7175.5-158.313.5000111.4A151D149-A151 PolarHBondContact O-N 3.12Å; D149-A151 VanDerWaalsContact O-N 3.15Å
150G82.1Confident90.5Very high73 Ų7351.9 Ų51.975%0.75329%0.287SS*.THydrogen-bonded Turntrans74.1-9.8-177.900000116.4
151A85.3Confident90.7Very high24 Ų2449.1 Ų49.120%0.19828%0.275CS..PPolyproline II helixtrans-69.8137.4175.100000111.6Y145 A148 D149Y145-A151 HydrophobicContact CE1-CB 4.1Å; Y145-A151 HydrophobicContact CE2-CB 4.09Å; A148-A151 HydrophobicContact CB-CB 4.34Å; D149-A151 PolarHBondContact O-N 3.12Å; D149-A151 VanDerWaalsContact O-N 3.15Å
152P89.1Confident90.9Very high53 Ų5344.9 Ų44.934%0.34426%0.258SS..PPolyproline II helixtrans-57.6146.9170.4-23.732.2000111.7Y145Y145-P152 WeakPolarHBondContact CE1-O 3.44Å; Y145-P152 WeakPolarHBondContact OH-CD 3.32Å; Y145-P152 PolarHBondContact OH-O 3.3Å
153P92.9Very high91Very high32 Ų3245.1 Ų45.121%0.20826%0.259CS..PPolyproline II helixtrans-60153.6178.125.4-33.7000112.1K87 F108 N109K87-P153 CarbonylContact O-C 3.51Å; K87-P153 VanDerWaalsContact O-CA 3.29Å; K87-P153 WeakPolarHBondContact O-CA 3.43Å; F108-P153 WeakPolarHBondContact CA-O 3.38Å; F108-P153 HydrophobicContact CD1-CB 3.77Å; F108-P153 HydrophobicContact CD1-CG 3.53Å; F108-P153 WeakPolarHBondContact CD1-O 3.49Å; F108-P153 HydrophobicContact CE1-CB 3.74Å; F108-P153 HydrophobicContact CE1-CG 3.54Å; N109-P153 PolarHBondContact N-O 3.02Å
154L95.2Very high91.1Very high0 Ų041.2 Ų41.20%024%0.241CC..EExtended strand (participates in β ladder)trans-86.2142.6174.1-69.6-176.6000111.3K87 L88 S89 N109 M127 L142 Y145 C146K87-L154 PolarHBondContact O-N 3.08Å; L88-L154 HydrophobicContact CD1-CB 3.85Å; S89-L154 PolarHBondContact N-O 2.79Å; N109-L154 HydrophobicContact CB-CD2 4.04Å; N109-L154 WeakPolarHBondContact O-CA 3.43Å; N109-L154 WeakPolarHBondContact O-CD2 3.41Å; M127-L154 HydrophobicContact CE-CD2 3.83Å; L142-L154 HydrophobicContact CB-CD1 4.33Å; L142-L154 HydrophobicContact CD2-CD1 3.92Å; Y145-L154 HydrophobicContact CD1-CD1 3.8Å; Y145-L154 HydrophobicContact CD1-CD2 3.52Å; Y145-L154 HydrophobicContact CD1-CG 3.55Å; Y145-L154 HydrophobicContact CE1-CD1 4.34Å; Y145-L154 HydrophobicContact CE1-CD2 3.31Å; Y145-L154 HydrophobicContact CE1-CG 3.57Å; Y145-L154 HydrophobicContact CG-CD2 4.45Å; C146-L154 VanDerWaalsContact SG-CD1 3.5Å
155L96.1Very high91.1Very high0 Ų033.9 Ų33.90%022%0.22CC..EExtended strand (participates in β ladder)trans-115.9122.8168.2171.868.1000109.1S89 C91 H99 I102 F108 N109 T110 F157S89-L155 WeakPolarHBondContact O-CA 3.37Å; C91-L155 HydrophobicContact CB-CD1 3.9Å; H99-L155 HydrophobicContact CB-CD2 4.25Å; I102-L155 HydrophobicContact CB-CD2 3.84Å; I102-L155 HydrophobicContact CD1-CD1 4.26Å; I102-L155 HydrophobicContact CD1-CD2 3.89Å; I102-L155 HydrophobicContact CG1-CD2 4.48Å; I102-L155 HydrophobicContact CG2-CD1 4.44Å; I102-L155 HydrophobicContact CG2-CD2 3.76Å; F108-L155 HydrophobicContact CB-CB 3.63Å; F108-L155 HydrophobicContact CD1-CB 4.01Å; F108-L155 HydrophobicContact CD2-CB 4.22Å; F108-L155 HydrophobicContact CD2-CD2 4.37Å; F108-L155 HydrophobicContact CG-CB 3.73Å; N109-L155 PolarHBondContact O-N 3.34Å; T110-L155 WeakPolarHBondContact CG2-O 3.48Å; T110-L155 PolarHBondContact OG1-O 2.94Å; L155-F157 HydrophobicContact CD2-CE2 4.23Å; L155-F157 HydrophobicContact CD2-CZ 3.9Å; L155-F157 HydrophobicContact CG-CE2 4.21Å; L155-F157 HydrophobicContact CG-CZ 4.14Å
156V95.9Very high91.1Very high3 Ų338.5 Ų38.52%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-127.8145.2-178.8-178.20000110.8L88 S89 V90 C91 P111 P158 W175 P176L88-V156 HydrophobicContact CD1-CB 4.33Å; L88-V156 HydrophobicContact CD1-CG2 3.78Å; S89-V156 PolarHBondContact O-N 2.87Å; V90-V156 WeakPolarHBondContact CA-O 3.39Å; C91-V156 PolarHBondContact N-O 2.78Å; C91-V156 VanDerWaalsContact N-O 3.09Å; P111-V156 HydrophobicContact CG-CG2 4.28Å; V156-P158 WeakPolarHBondContact O-CD 3.49Å; V156-W175 HydrophobicContact CG1-CH2 3.56Å; V156-W175 HydrophobicContact CG1-CZ2 3.65Å; V156-W175 HydrophobicContact CG2-CH2 4.3Å; V156-P176 HydrophobicContact CB-CB 4.45Å; V156-P176 HydrophobicContact CG1-CB 3.85Å; V156-P176 HydrophobicContact CG1-CG 3.74Å
157F96.3Very high91.1Very high22 Ų2238.6 Ų38.610%0.09624%0.238CC..  trans-109.295.7176.6-59.6-83.6000109.8C91 H93 D98 H99 I102 T110 L155 E159 E160C91-F157 HydrophobicContact CB-CD1 4.05Å; C91-F157 HydrophobicContact CB-CE1 3.82Å; C91-F157 WeakPolarHBondContact O-CA 3.09Å; C91-F157 WeakPolarHBondContact O-CD1 3.41Å; H93-F157 HydrophobicContact CB-CB 4.04Å; H93-F157 HydrophobicContact CB-CD1 3.83Å; H93-F157 HydrophobicContact CB-CG 4.19Å; H93-F157 AromaticContact CG-CD1 3.83Å; H93-F157 AromaticContact CG-CG 3.96Å; H93-F157 AromaticContact ND1-CD1 3.81Å; D98-F157 HydrophobicContact CB-CE1 3.79Å; D98-F157 HydrophobicContact CB-CZ 3.87Å; H99-F157 HydrophobicContact CB-CE2 3.86Å; H99-F157 HydrophobicContact CB-CZ 3.99Å; I102-F157 HydrophobicContact CD1-CE1 4.34Å; I102-F157 HydrophobicContact CD1-CZ 4.35Å; T110-F157 HydrophobicContact CG2-CD2 4.42Å; T110-F157 HydrophobicContact CG2-CE2 3.99Å; L155-F157 HydrophobicContact CD2-CE2 4.23Å; L155-F157 HydrophobicContact CD2-CZ 3.9Å; L155-F157 HydrophobicContact CG-CE2 4.21Å; L155-F157 HydrophobicContact CG-CZ 4.14Å; F157-E159 PolarHBondContact O-N 3.06Å; F157-E160 PolarHBondContact O-N 3.3Å
158P95.4Very high91.3Very high0 Ų033.9 Ų33.90%021%0.205CC..THydrogen-bonded Turntrans-70.8-10.4-173.932.1-40.5000113.9V90 C91 V156 E160 F172 S173 P176 F177V90-P158 HydrophobicContact CG1-CG 3.51Å; C91-P158 WeakPolarHBondContact O-CD 3.43Å; V156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-E160 PolarHBondContact O-N 3.33Å; P158-F172 HydrophobicContact CB-CB 3.89Å; P158-F172 HydrophobicContact CB-CD1 4.16Å; P158-F172 HydrophobicContact CB-CD2 3.94Å; P158-F172 HydrophobicContact CB-CE2 4.49Å; P158-F172 HydrophobicContact CB-CG 3.73Å; P158-F172 HydrophobicContact CG-CB 4.27Å; P158-F172 HydrophobicContact CG-CD1 3.77Å; P158-F172 HydrophobicContact CG-CD2 3.43Å; P158-F172 VanDerWaalsContact CG-CD2 3.43Å; P158-F172 HydrophobicContact CG-CE1 3.89Å; P158-F172 HydrophobicContact CG-CE2 3.52Å; P158-F172 HydrophobicContact CG-CG 3.55Å; P158-F172 HydrophobicContact CG-CZ 3.76Å; P158-F172 WeakPolarHBondContact O-CA 3.49Å; P158-S173 PolarHBondContact O-N 3.15Å; P158-S173 PolarHBondContact O-OG 3.48Å; P158-P176 HydrophobicContact CB-CG 4.15Å; P158-F177 HydrophobicContact CB-CE2 3.89Å; P158-F177 HydrophobicContact CB-CZ 4.31Å; P158-F177 HydrophobicContact CG-CZ 4.49Å
159E93.1Very high91.6Very high1 Ų131.9 Ų31.91%0.00519%0.189CC..THydrogen-bonded Turntrans-70-19.6170.2-68-172.4-103.400112.5N92 H93 F157 D161 T163 L170 F172N92-E159 WeakPolarHBondContact CA-OE1 3.47Å; N92-E159 WeakPolarHBondContact CB-OE1 3.45Å; H93-E159 HydrophobicContact CB-CB 4.44Å; H93-E159 PolarHBondContact N-OE1 3.38Å; F157-E159 PolarHBondContact O-N 3.06Å; E159-D161 WeakPolarHBondContact CB-O 3.49Å; E159-D161 PolarHBondContact O-N 3.05Å; E159-T163 VanDerWaalsContact OE2-CG2 3.23Å; E159-T163 WeakPolarHBondContact OE2-CG2 3.39Å; E159-L170 HydrophobicContact CB-CB 4.02Å; E159-L170 HydrophobicContact CB-CD1 4.42Å; E159-L170 HydrophobicContact CG-CB 4.02Å; E159-L170 PolarHBondContact OE2-N 2.99Å; E159-F172 HydrophobicContact CG-CD1 3.79Å; E159-F172 HydrophobicContact CG-CE1 3.42Å; E159-F172 VanDerWaalsContact CG-CE1 3.42Å
160E90.8Very high92.2Very high71 Ų7124.4 Ų24.433%0.33215%0.149SC..SBendtrans59.2-7.2-179.6-58.7-177.2177.900116.4F157 P158 S173 W175 K259F157-E160 PolarHBondContact O-N 3.3Å; P158-E160 PolarHBondContact O-N 3.33Å; E160-S173 WeakPolarHBondContact OE1-CB 3.49Å; E160-S173 PolarHBondContact OE1-OG 2.83Å; E160-W175 PolarHBondContact OE1-NE1 2.85Å; E160-W175 VanDerWaalsContact OE1-NE1 3.07Å; E160-K259 HydrophobicContact CB-CB 4.43Å; E160-K259 HydrophobicContact CB-CD 3.57Å; E160-K259 PolarHBondContact O-NZ 2.89Å
161D91.3Very high92.9Very high41 Ų4124.3 Ų24.322%0.21913%0.128CC..SBendtrans-154.7160.4177.1-161.5-12.8000109.2E159 L170 K259 K262E159-D161 WeakPolarHBondContact CB-O 3.49Å; E159-D161 PolarHBondContact O-N 3.05Å; D161-L170 HydrophobicContact CB-CD1 4.33Å; D161-K259 HydrophobicContact CB-CB 4.5Å; D161-K259 HydrophobicContact CB-CD 4.16Å; D161-K259 HydrophobicContact CB-CG 4.03Å; D161-K262 HydrophobicContact CB-CD 4.41Å; D161-K262 IonicContact OD1-NZ 2.85Å; D161-K262 PolarHBondContact OD1-NZ 2.74Å; D161-K262 VanDerWaalsContact OD2-CD 3.24Å; D161-K262 WeakPolarHBondContact OD2-CD 3.42Å; D161-K262 VanDerWaalsContact OD2-CE 3.28Å; D161-K262 WeakPolarHBondContact OD2-CE 3.38Å; D161-K262 IonicContact OD2-NZ 3.71Å; D161-K262 PolarHBondContact OD2-NZ 3.46Å
162T93Very high93.4Very high12 Ų1223.2 Ų23.27%0.07412%0.118CC..  trans-80.4148.1-175.154.50000112.9H93 K262H93-T162 WeakPolarHBondContact O-CA 3.43Å; T162-K262 PolarHBondContact O-NZ 3.28Å
163T93.4Very high93.7Very high6 Ų621.9 Ų21.94%0.03711%0.11CC..  trans-116.2171.5168.466.60000111.1M9 F10 H93 E159 G165 L170M9-T163 HydrophobicContact CE-CG2 4.23Å; F10-T163 HydrophobicContact CE1-CG2 4.26Å; H93-T163 PolarHBondContact O-N 2.82Å; H93-T163 PolarHBondContact O-OG1 3.18Å; E159-T163 VanDerWaalsContact OE2-CG2 3.23Å; E159-T163 WeakPolarHBondContact OE2-CG2 3.39Å; T163-G165 PolarHBondContact O-N 3.07Å; T163-G165 PolarHBondContact OG1-N 3.28Å; T163-L170 HydrophobicContact CG2-CD1 3.94Å; T163-L170 HydrophobicContact CG2-CG 3.69Å
164N92.1Very high93.7Very high12 Ų1222.6 Ų22.66%0.06412%0.116CC..  trans-75.1-6.3173.971.510.9000114.1D8 M9 F10 R166D8-N164 PolarHBondContact O-ND2 3.37Å; M9-N164 VanDerWaalsContact C-CG 3.44Å; M9-N164 WeakPolarHBondContact O-CB 3.32Å; M9-N164 PolarHBondContact O-N 3.09Å; M9-N164 PolarHBondContact O-OD1 3.39Å; F10-N164 PolarHBondContact N-ND2 2.72Å; N164-R166 VanDerWaalsContact C-N 3.27Å; N164-R166 PolarHBondContact O-N 2.88Å; N164-R166 PolarHBondContact OD1-N 2.82Å
165G91Very high93.6Very high20 Ų2025.4 Ų25.421%0.20613%0.127CC..SBendtrans67.216.1178.800000115.8T163T163-G165 PolarHBondContact O-N 3.07Å; T163-G165 PolarHBondContact OG1-N 3.28Å
166R90.7Very high93.4Very high135 Ų13525.4 Ų25.451%0.50913%0.127SC..SBendtrans-119.1-29.6-175.7-61.3-171.3-56.8-97.72.9115.2D11 N164 L252D11-R166 IonicContact OD1-CZ 2.69Å; D11-R166 IonicContact OD1-NH2 2.95Å; D11-R166 PolarHBondContact OD1-NH2 3.34Å; D11-R166 IonicContact OD2-CZ 3.56Å; D11-R166 IonicContact OD2-NH1 3.39Å; D11-R166 PolarHBondContact OD2-NH1 2.98Å; D11-R166 IonicContact OD2-NH2 3.77Å; D11-R166 PolarHBondContact OD2-NH2 3.05Å; N164-R166 VanDerWaalsContact C-N 3.27Å; N164-R166 PolarHBondContact O-N 2.88Å; N164-R166 PolarHBondContact OD1-N 2.82Å; R166-L252 WeakPolarHBondContact O-CD2 3.28Å
167A90.6Very high93.4Very high7 Ų725.3 Ų25.36%0.05813%0.126CC..SBendtrans-105.5-45.9-175.300000114D8 M9 V253D8-A167 VanDerWaalsContact C-CB 3.5Å; D8-A167 HydrophobicContact CB-CB 3.78Å; D8-A167 WeakPolarHBondContact O-CB 3.31Å; M9-A167 HydrophobicContact CG-CB 4.25Å; A167-V253 PolarHBondContact O-N 3.5Å
168G92.4Very high93.2Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-168.8166.8-173.500000112.8V253G168-V253 CarbonylContact C-O 3.51Å; G168-V253 WeakPolarHBondContact CA-O 3.12Å
169L95.3Very high93Very high0 Ų028 Ų280%014%0.144CC..EExtended strand (participates in β ladder)trans-95.6142.5170.3-61.3179000109.5N92 F172 Q243 L246 A247 L250 L252 V253 T255N92-L169 HydrophobicContact CB-CD2 3.66Å; L169-F172 HydrophobicContact CB-CE1 4.44Å; L169-F172 HydrophobicContact CD1-CE1 4.37Å; L169-F172 HydrophobicContact CD1-CZ 4.28Å; L169-Q243 HydrophobicContact CB-CG 4.39Å; L169-Q243 HydrophobicContact CD1-CG 4.36Å; L169-L246 HydrophobicContact CD1-CB 3.93Å; L169-A247 HydrophobicContact CD1-CB 4.05Å; L169-L250 HydrophobicContact CD1-CD1 4.49Å; L169-L250 HydrophobicContact CD2-CD1 4.07Å; L169-L252 HydrophobicContact CD2-CD1 3.8Å; L169-L252 HydrophobicContact CG-CB 4.5Å; L169-L252 HydrophobicContact CG-CD1 4.22Å; L169-V253 PolarHBondContact N-O 2.83Å; L169-T255 WeakPolarHBondContact O-CB 3.27Å; L169-T255 PolarHBondContact O-N 3.21Å; L169-T255 VanDerWaalsContact O-N 3.17Å; L169-T255 PolarHBondContact O-OG1 2.88Å
170L95.2Very high93Very high0 Ų029.3 Ų29.30%015%0.152CC..PPolyproline II helixtrans-62.6157.1166.1-73.4171.8000110.4M9 F10 E159 D161 T163 F172 Q243 I257 K262M9-L170 HydrophobicContact CE-CD2 3.86Å; M9-L170 HydrophobicContact CE-CG 4.07Å; F10-L170 HydrophobicContact CZ-CD2 4.07Å; E159-L170 HydrophobicContact CB-CB 4.02Å; E159-L170 HydrophobicContact CB-CD1 4.42Å; E159-L170 HydrophobicContact CG-CB 4.02Å; E159-L170 PolarHBondContact OE2-N 2.99Å; D161-L170 HydrophobicContact CB-CD1 4.33Å; T163-L170 HydrophobicContact CG2-CD1 3.94Å; T163-L170 HydrophobicContact CG2-CG 3.69Å; L170-F172 WeakPolarHBondContact O-CD1 3.37Å; L170-F172 PolarHBondContact O-N 3.39Å; L170-Q243 PolarHBondContact O-NE2 3.38Å; L170-Q243 VanDerWaalsContact O-NE2 3.08Å; L170-I257 HydrophobicContact CD2-CB 4.24Å; L170-I257 HydrophobicContact CD2-CG2 3.81Å; L170-I257 VanDerWaalsContact CD2-O 3.32Å; L170-I257 WeakPolarHBondContact CD2-O 3.43Å; L170-K262 HydrophobicContact CD1-CD 4.41Å
171K95.4Very high93Very high72 Ų7231.2 Ų31.231%0.31316%0.164SC..PPolyproline II helixtrans-60.7127.5172.6-177.8-178.4171.8-167.80109I257 T258K171-I257 WeakPolarHBondContact CB-O 3.47Å; K171-I257 PolarHBondContact N-O 3.23Å; K171-T258 HydrophobicContact CB-CG2 4.34Å; K171-T258 HydrophobicContact CD-CG2 4.04Å
172F96.9Very high93.1Very high1 Ų131.3 Ų31.30%0.00417%0.168CC..PPolyproline II helixtrans-72132.2177.3-75.210.4000110.8V90 P158 E159 L169 L170 F177 Q236 A239 V242 Q243 L246V90-F172 HydrophobicContact CG1-CE2 4.29Å; P158-F172 HydrophobicContact CB-CB 3.89Å; P158-F172 HydrophobicContact CB-CD1 4.16Å; P158-F172 HydrophobicContact CB-CD2 3.94Å; P158-F172 HydrophobicContact CB-CE2 4.49Å; P158-F172 HydrophobicContact CB-CG 3.73Å; P158-F172 HydrophobicContact CG-CB 4.27Å; P158-F172 HydrophobicContact CG-CD1 3.77Å; P158-F172 HydrophobicContact CG-CD2 3.43Å; P158-F172 VanDerWaalsContact CG-CD2 3.43Å; P158-F172 HydrophobicContact CG-CE1 3.89Å; P158-F172 HydrophobicContact CG-CE2 3.52Å; P158-F172 HydrophobicContact CG-CG 3.55Å; P158-F172 HydrophobicContact CG-CZ 3.76Å; P158-F172 WeakPolarHBondContact O-CA 3.49Å; E159-F172 HydrophobicContact CG-CD1 3.79Å; E159-F172 HydrophobicContact CG-CE1 3.42Å; E159-F172 VanDerWaalsContact CG-CE1 3.42Å; L169-F172 HydrophobicContact CB-CE1 4.44Å; L169-F172 HydrophobicContact CD1-CE1 4.37Å; L169-F172 HydrophobicContact CD1-CZ 4.28Å; L170-F172 WeakPolarHBondContact O-CD1 3.37Å; L170-F172 PolarHBondContact O-N 3.39Å; F172-F177 HydrophobicContact CB-CE2 4.25Å; F172-F177 HydrophobicContact CD2-CE2 4.31Å; F172-F177 AromaticContact CD2-CZ 3.84Å; F172-F177 HydrophobicContact CD2-CZ 3.84Å; F172-Q236 PolarHBondContact O-NE2 2.99Å; F172-A239 HydrophobicContact CB-CB 4.35Å; F172-V242 HydrophobicContact CE2-CG1 4.32Å; F172-Q243 HydrophobicContact CB-CB 4.36Å; F172-Q243 HydrophobicContact CD1-CB 4.12Å; F172-Q243 HydrophobicContact CD1-CG 3.78Å; F172-Q243 HydrophobicContact CD2-CB 3.57Å; F172-Q243 HydrophobicContact CD2-CG 4.16Å; F172-Q243 HydrophobicContact CE1-CB 4.29Å; F172-Q243 HydrophobicContact CE1-CG 3.84Å; F172-Q243 VanDerWaalsContact CE2-CA 3.47Å; F172-Q243 HydrophobicContact CE2-CB 3.81Å; F172-Q243 HydrophobicContact CE2-CG 4.26Å; F172-Q243 HydrophobicContact CG-CB 3.76Å; F172-Q243 HydrophobicContact CG-CG 3.95Å; F172-Q243 HydrophobicContact CZ-CB 4.16Å; F172-Q243 HydrophobicContact CZ-CG 4.1Å; F172-Q243 VanDerWaalsContact N-OE1 3.16Å; F172-L246 HydrophobicContact CE2-CD1 3.83Å; F172-L246 HydrophobicContact CZ-CD1 3.72Å
173S94.3Very high93.3Very high24 Ų2430.7 Ų30.717%0.16817%0.165CC..PPolyproline II helixtrans-70.5150.4169.3640000110.9P158 E160 W175 P176 F177P158-S173 PolarHBondContact O-N 3.15Å; P158-S173 PolarHBondContact O-OG 3.48Å; E160-S173 WeakPolarHBondContact OE1-CB 3.49Å; E160-S173 PolarHBondContact OE1-OG 2.83Å; S173-W175 VanDerWaalsContact OG-CD1 3.25Å; S173-W175 PolarHBondContact OG-NE1 3.12Å; S173-P176 WeakPolarHBondContact O-CD 3.23Å; S173-F177 VanDerWaalsContact O-CD2 3.26Å; S173-F177 WeakPolarHBondContact O-CD2 3.37Å; S173-F177 VanDerWaalsContact O-CE2 3.27Å; S173-F177 WeakPolarHBondContact O-CE2 3.44Å
174S93.5Very high93.4Very high47 Ų4730.5 Ų30.533%0.32916%0.163SC..SBendtrans-83.4-19.8-174.355.60000113.7P176 F177 T235S174-P176 VanDerWaalsContact C-CD 3.46Å; S174-F177 WeakPolarHBondContact O-CB 3.43Å; S174-F177 PolarHBondContact O-N 3.3Å; S174-F177 VanDerWaalsContact O-N 3.15Å; S174-T235 WeakPolarHBondContact O-CG2 3.46Å
175W92.2Very high93.7Very high60 Ų6029.9 Ų29.923%0.22716%0.16CC..G310 helixtrans-63.7-35.1-172.778.2-97.4000114.4L113 L142 V156 E160 S173 F177 T178 L179L113-W175 HydrophobicContact CD1-CH2 3.53Å; L113-W175 HydrophobicContact CD1-CZ2 3.14Å; L113-W175 HydrophobicContact CD2-CH2 4.25Å; L113-W175 HydrophobicContact CG-CH2 4.48Å; L113-W175 HydrophobicContact CG-CZ2 4.42Å; L142-W175 HydrophobicContact CD1-CH2 4.3Å; L142-W175 HydrophobicContact CD1-CZ3 3.82Å; V156-W175 HydrophobicContact CG1-CH2 3.56Å; V156-W175 HydrophobicContact CG1-CZ2 3.65Å; V156-W175 HydrophobicContact CG2-CH2 4.3Å; E160-W175 PolarHBondContact OE1-NE1 2.85Å; E160-W175 VanDerWaalsContact OE1-NE1 3.07Å; S173-W175 VanDerWaalsContact OG-CD1 3.25Å; S173-W175 PolarHBondContact OG-NE1 3.12Å; W175-F177 PolarHBondContact O-N 3.45Å; W175-T178 PolarHBondContact O-N 2.88Å; W175-T178 PolarHBondContact O-OG1 3.47Å; W175-L179 HydrophobicContact CZ3-CD1 4.05Å
176P92.9Very high94Very high0 Ų029 Ų290%015%0.15CC..G310 helixtrans-63.4-29.6176.7-21.735.1000111.9L88 V156 P158 S173 S174 T178 L179L88-P176 WeakPolarHBondContact CD2-O 3.22Å; V156-P176 HydrophobicContact CB-CB 4.45Å; V156-P176 HydrophobicContact CG1-CB 3.85Å; V156-P176 HydrophobicContact CG1-CG 3.74Å; P158-P176 HydrophobicContact CB-CG 4.15Å; S173-P176 WeakPolarHBondContact O-CD 3.23Å; S174-P176 VanDerWaalsContact C-CD 3.46Å; P176-T178 VanDerWaalsContact C-N 3.27Å; P176-T178 PolarHBondContact O-N 3.07Å; P176-L179 WeakPolarHBondContact O-CB 3.48Å; P176-L179 WeakPolarHBondContact O-CG 3.45Å; P176-L179 PolarHBondContact O-N 2.8Å
177F95Very high94.3Very high1 Ų122.6 Ų22.60%0.00413%0.126CC..G310 helixtrans-82.5-2-176.7-57.1-92.9000112.7V90 P158 F172 S173 S174 W175 I183 T235 F238 A239 V242V90-F177 HydrophobicContact CG1-CZ 4.32Å; P158-F177 HydrophobicContact CB-CE2 3.89Å; P158-F177 HydrophobicContact CB-CZ 4.31Å; P158-F177 HydrophobicContact CG-CZ 4.49Å; F172-F177 HydrophobicContact CB-CE2 4.25Å; F172-F177 HydrophobicContact CD2-CE2 4.31Å; F172-F177 AromaticContact CD2-CZ 3.84Å; F172-F177 HydrophobicContact CD2-CZ 3.84Å; S173-F177 VanDerWaalsContact O-CD2 3.26Å; S173-F177 WeakPolarHBondContact O-CD2 3.37Å; S173-F177 VanDerWaalsContact O-CE2 3.27Å; S173-F177 WeakPolarHBondContact O-CE2 3.44Å; S174-F177 WeakPolarHBondContact O-CB 3.43Å; S174-F177 PolarHBondContact O-N 3.3Å; S174-F177 VanDerWaalsContact O-N 3.15Å; W175-F177 PolarHBondContact O-N 3.45Å; F177-I183 HydrophobicContact CD1-CD1 3.69Å; F177-I183 HydrophobicContact CE1-CD1 3.32Å; F177-I183 HydrophobicContact CZ-CD1 4.39Å; F177-T235 HydrophobicContact CB-CG2 3.63Å; F177-F238 HydrophobicContact CB-CD1 4.06Å; F177-F238 AromaticContact CD1-CD1 3.64Å; F177-F238 HydrophobicContact CD1-CD1 3.64Å; F177-F238 AromaticContact CD1-CE1 3.83Å; F177-F238 HydrophobicContact CD1-CE1 3.83Å; F177-F238 HydrophobicContact CD1-CG 4.4Å; F177-F238 HydrophobicContact CG-CD1 4.29Å; F177-A239 HydrophobicContact CD1-CB 4.26Å; F177-A239 HydrophobicContact CD2-CB 3.46Å; F177-A239 VanDerWaalsContact CD2-CB 3.46Å; F177-A239 HydrophobicContact CE1-CB 4.27Å; F177-A239 HydrophobicContact CE2-CB 3.49Å; F177-A239 VanDerWaalsContact CE2-CB 3.49Å; F177-A239 HydrophobicContact CG-CB 3.89Å; F177-A239 HydrophobicContact CZ-CB 3.93Å; F177-V242 HydrophobicContact CE1-CB 3.78Å; F177-V242 HydrophobicContact CE1-CG1 3.99Å; F177-V242 HydrophobicContact CE1-CG2 3.9Å; F177-V242 HydrophobicContact CZ-CB 4.26Å; F177-V242 HydrophobicContact CZ-CG1 4.29Å
178T93.4Very high94.6Very high72 Ų7222.3 Ų22.344%0.44212%0.124SC..G310 helixtrans-87.1-15.2168.666.80000112.6W175 P176 T235W175-T178 PolarHBondContact O-N 2.88Å; W175-T178 PolarHBondContact O-OG1 3.47Å; P176-T178 VanDerWaalsContact C-N 3.27Å; P176-T178 PolarHBondContact O-N 3.07Å; T178-T235 HydrophobicContact CG2-CG2 3.75Å
179L91.6Very high94.8Very high7 Ų728.6 Ų28.64%0.03715%0.148CC..SBendtrans-73.5-36.9-172.9-59.2178.8000112.7L88 L142 Q143 W175 P176L88-L179 HydrophobicContact CD1-CD1 4.42Å; L88-L179 HydrophobicContact CD2-CB 4.07Å; L88-L179 HydrophobicContact CD2-CD1 4.17Å; L142-L179 HydrophobicContact CB-CD1 4.19Å; L142-L179 HydrophobicContact CB-CD2 3.72Å; Q143-L179 HydrophobicContact CB-CD2 4.28Å; W175-L179 HydrophobicContact CZ3-CD1 4.05Å; P176-L179 WeakPolarHBondContact O-CB 3.48Å; P176-L179 WeakPolarHBondContact O-CG 3.45Å; P176-L179 PolarHBondContact O-N 2.8Å
180T92.1Very high94.9Very high27 Ų2729.4 Ų29.417%0.16615%0.153CC..  trans-154147.1-17661.30000110.9L88 C146 S182L88-T180 HydrophobicContact CB-CG2 4.23Å; L88-T180 WeakPolarHBondContact CD2-OG1 3.43Å; C146-T180 HydrophobicContact CB-CG2 3.7Å; T180-S182 PolarHBondContact OG1-O 3.4Å
181D91.1Very high94.8Very high111 Ų11132 Ų3259%0.59417%0.17SC*.SBendtrans-78.1-17.7177.7-61.4-47.9000114.1S228 R229D181-S228 CarbonylContact O-C 3.49Å; D181-S228 VanDerWaalsContact O-CA 3.22Å; D181-S228 WeakPolarHBondContact O-CA 3.36Å; D181-R229 PolarHBondContact O-N 2.9Å
182S93.8Very high94.7Very high43 Ų4329.9 Ų29.930%0.30116%0.161SC..EExtended strand (participates in β ladder)trans-122.8124.8177.9-168.10000110.7T180 S228T180-S182 PolarHBondContact OG1-O 3.4Å; S182-S228 WeakPolarHBondContact CB-OG 3.34Å; S182-S228 PolarHBondContact OG-OG 3.34Å
183I95.7Very high94.4Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-128.6154.1-177.469.5170.9000111.3L88 V90 F177 P185 P226 V227 F238 V242L88-I183 HydrophobicContact CB-CG2 4.34Å; L88-I183 HydrophobicContact CD2-CG2 3.77Å; L88-I183 HydrophobicContact CG-CG2 4.14Å; L88-I183 WeakPolarHBondContact O-CA 3.36Å; V90-I183 HydrophobicContact CB-CD1 4.34Å; V90-I183 HydrophobicContact CG2-CD1 4.1Å; F177-I183 HydrophobicContact CD1-CD1 3.69Å; F177-I183 HydrophobicContact CE1-CD1 3.32Å; F177-I183 HydrophobicContact CZ-CD1 4.39Å; I183-P185 WeakPolarHBondContact O-CD 3.11Å; I183-P226 CarbonylContact O-C 3.6Å; I183-P226 VanDerWaalsContact O-CA 3.29Å; I183-P226 WeakPolarHBondContact O-CA 3.21Å; I183-V227 PolarHBondContact N-O 3.19Å; I183-V227 PolarHBondContact O-N 3.41Å; I183-F238 HydrophobicContact CD1-CE1 4.13Å; I183-F238 HydrophobicContact CD1-CZ 4.07Å; I183-F238 HydrophobicContact CG1-CE1 4.22Å; I183-F238 HydrophobicContact CG1-CZ 3.86Å; I183-F238 HydrophobicContact CG2-CE1 4.38Å; I183-V242 HydrophobicContact CD1-CB 4.28Å; I183-V242 HydrophobicContact CD1-CG1 3.87Å; I183-V242 HydrophobicContact CD1-CG2 3.69Å; I183-V242 HydrophobicContact CG1-CG2 4.43Å
184Q96.5Very high93.9Very high1 Ų133.8 Ų33.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-105106.4178.4170.771.651.200109.2T86 L88 S89 V90 V186 W223 L224T86-Q184 HydrophobicContact CG2-CB 3.65Å; L88-Q184 PolarHBondContact O-N 2.98Å; S89-Q184 CarbonylContact C-O 3.56Å; S89-Q184 VanDerWaalsContact CA-O 3.24Å; S89-Q184 WeakPolarHBondContact CA-O 3.44Å; V90-Q184 PolarHBondContact N-O 2.97Å; Q184-V186 HydrophobicContact CG-CG2 4.48Å; Q184-W223 HydrophobicContact CG-CE3 4.28Å; Q184-W223 HydrophobicContact CG-CZ3 4.4Å; Q184-L224 PolarHBondContact NE2-O 2.95Å
185P97.4Very high93.7Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-73.8140.5175.3-11.327.6000111.1V90 I183 L224 P225 V227 V242 L246V90-P185 CarbonylContact O-C 3.24Å; V90-P185 WeakPolarHBondContact O-CA 3.23Å; I183-P185 WeakPolarHBondContact O-CD 3.11Å; P185-L224 HydrophobicContact CB-CB 4.15Å; P185-L224 HydrophobicContact CB-CD2 4.4Å; P185-L224 HydrophobicContact CG-CB 4.44Å; P185-L224 PolarHBondContact O-N 2.9Å; P185-P225 WeakPolarHBondContact CD-O 3.4Å; P185-V227 HydrophobicContact CG-CG2 3.78Å; P185-V242 HydrophobicContact CB-CG1 4.39Å; P185-V242 HydrophobicContact CG-CG1 4.33Å; P185-L246 HydrophobicContact CB-CD2 3.94Å; P185-L246 HydrophobicContact CB-CG 4.29Å
186V97.5Very high93.6Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-130120.3177-1740000108.3V90 C91 Q184 V221 W223 L246V90-V186 PolarHBondContact O-N 2.66Å; C91-V186 WeakPolarHBondContact CA-O 3.28Å; C91-V186 HydrophobicContact CB-CB 4.16Å; C91-V186 PolarHBondContact SG-O 3.48Å; C91-V186 VanDerWaalsContact SG-O 3.38Å; Q184-V186 HydrophobicContact CG-CG2 4.48Å; V186-V221 HydrophobicContact CG1-CG1 3.62Å; V186-W223 HydrophobicContact CG2-CD2 4.5Å; V186-W223 HydrophobicContact CG2-CE3 3.62Å; V186-W223 HydrophobicContact CG2-CH2 4.34Å; V186-W223 HydrophobicContact CG2-CZ3 3.52Å; V186-L246 WeakPolarHBondContact O-CD2 3.44Å
187A97.5Very high93.4Very high1 Ų130.6 Ų30.61%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-94.5125175.600000109.8S222 L224 L246 E249 L250A187-S222 PolarHBondContact N-O 3.27Å; A187-S222 PolarHBondContact O-N 3.42Å; A187-L224 HydrophobicContact CB-CD1 3.82Å; A187-L246 HydrophobicContact CB-CD2 3.84Å; A187-E249 HydrophobicContact CB-CB 4.23Å; A187-E249 HydrophobicContact CB-CG 3.65Å; A187-L250 HydrophobicContact CB-CD1 4.42Å; A187-L250 HydrophobicContact CB-CD2 3.82Å; A187-L250 HydrophobicContact CB-CG 3.89Å
188L97.4Very high93.1Very high1 Ų131.4 Ų31.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-114.9117.8-179.7-175.768.4000110.4C91 N92 D98 V190 Y219 V221C91-L188 VanDerWaalsContact SG-CB 3.59Å; N92-L188 PolarHBondContact ND2-O 3.21Å; N92-L188 PolarHBondContact OD1-N 3.01Å; N92-L188 PolarHBondContact OD1-O 2.76Å; D98-L188 HydrophobicContact CB-CD2 3.54Å; D98-L188 VanDerWaalsContact OD1-CD2 3.3Å; D98-L188 WeakPolarHBondContact OD1-CD2 3.24Å; L188-V190 HydrophobicContact CD1-CG2 4.49Å; L188-V190 HydrophobicContact CD2-CG2 4.24Å; L188-V190 HydrophobicContact CG-CG2 4.02Å; L188-Y219 HydrophobicContact CD1-CD1 4.22Å; L188-V221 HydrophobicContact CD1-CG2 3.75Å
189R96.8Very high92.8Very high133 Ų13329 Ų2950%0.50216%0.158SC..EExtended strand (participates in β ladder)trans-114.2125.4170.4179.2-177.3-67.8175.3-0.6109.3H220 L250R189-H220 HydrophobicContact CB-CB 4.21Å; R189-H220 PolarHBondContact N-O 3.02Å; R189-H220 WeakPolarHBondContact O-CB 3.45Å; R189-H220 PolarHBondContact O-N 3.24Å; R189-L250 HydrophobicContact CB-CD2 4.18Å; R189-L250 PolarHBondContact NH2-O 3.45Å
190V96.1Very high92.4Very high17 Ų1730.5 Ų30.510%0.10317%0.166CC..EExtended strand (participates in β ladder)trans-112.4134.5179-168.30000109V94 T95 L188 L197 T217 Y219V94-V190 HydrophobicContact CB-CG2 4.04Å; V94-V190 HydrophobicContact CG1-CB 4.18Å; V94-V190 HydrophobicContact CG1-CG2 4.1Å; T95-V190 HydrophobicContact CG2-CB 4.45Å; T95-V190 HydrophobicContact CG2-CG1 4.18Å; T95-V190 HydrophobicContact CG2-CG2 4.25Å; L188-V190 HydrophobicContact CD1-CG2 4.49Å; L188-V190 HydrophobicContact CD2-CG2 4.24Å; L188-V190 HydrophobicContact CG-CG2 4.02Å; V190-L197 HydrophobicContact CB-CD1 3.76Å; V190-L197 HydrophobicContact CB-CD2 4.28Å; V190-L197 HydrophobicContact CG1-CD1 4.06Å; V190-L197 HydrophobicContact CG1-CD2 3.64Å; V190-T217 HydrophobicContact CG1-CG2 3.6Å; V190-Y219 HydrophobicContact CB-CD1 4.29Å; V190-Y219 HydrophobicContact CB-CE1 4.35Å; V190-Y219 HydrophobicContact CG1-CD1 3.9Å; V190-Y219 HydrophobicContact CG1-CD2 4.5Å; V190-Y219 HydrophobicContact CG1-CE1 3.72Å; V190-Y219 HydrophobicContact CG1-CE2 4.35Å; V190-Y219 HydrophobicContact CG1-CG 4.28Å; V190-Y219 HydrophobicContact CG2-CD1 3.46Å; V190-Y219 VanDerWaalsContact CG2-CD1 3.46Å; V190-Y219 HydrophobicContact CG2-CE1 3.63Å; V190-Y219 HydrophobicContact CG2-CG 4.37Å
191S93.8Very high91.8Very high53 Ų5336 Ų3637%0.37119%0.19SC..EExtended strand (participates in β ladder)trans-127.5137.1178.562.40000110.6T217 V218S191-T217 CarbonylContact O-C 3.57Å; S191-T217 WeakPolarHBondContact O-CA 3.44Å; S191-V218 PolarHBondContact N-O 2.76Å; S191-V218 PolarHBondContact O-N 3.24Å; S191-V218 PolarHBondContact OG-O 2.93Å
192R93.6Very high91.6Very high29 Ų2932 Ų3211%0.10917%0.17CC..  trans-142.2133.4179.3-178.3-179.6-69.71660.7108.7S196 L197 T211 S214 T217R192-S196 PolarHBondContact NH1-O 2.87Å; R192-L197 HydrophobicContact CB-CD2 3.53Å; R192-L197 PolarHBondContact NH1-O 3.21Å; R192-T211 PolarHBondContact NH2-OG1 3.46Å; R192-S214 VanDerWaalsContact CG-OG 3.23Å; R192-S214 WeakPolarHBondContact CG-OG 3.35Å; R192-T217 PolarHBondContact NE-OG1 2.89Å; R192-T217 PolarHBondContact NH2-OG1 3.48Å
193P89.7Confident91.4Very high49 Ų4932.6 Ų32.632%0.31817%0.174SC..SBendtrans-76146.8175.232.2-32.7000110.7L195 P215 C216P193-L195 PolarHBondContact O-N 3.35Å; P193-P215 HydrophobicContact CG-CB 4.41Å; P193-P215 HydrophobicContact CG-CG 4.14Å; P193-C216 WeakPolarHBondContact CD-O 3.44Å
194L83.9Confident91.1Very high58 Ų5836.6 Ų36.630%0.30419%0.189SC..SBendtrans64.5-23.4168.3-52.9173.7000117.6P16 A21 L24 L25P16-L194 VanDerWaalsContact CD-O 3.31Å; P16-L194 WeakPolarHBondContact CD-O 3.48Å; A21-L194 HydrophobicContact CB-CD2 4.42Å; L24-L194 HydrophobicContact CB-CD2 4.44Å; L25-L194 HydrophobicContact CD1-CB 4.25Å; L25-L194 HydrophobicContact CD1-CD1 4.46Å
195L90Very high90.9Very high13 Ų1340.5 Ų40.57%0.06821%0.21CC..SBendtrans-128143.9-173.9-67.6172.3000111.9R14 F15 L25 P193 W210 F213R14-L195 HydrophobicContact CG-CD2 4.22Å; F15-L195 HydrophobicContact CD1-CD2 3.94Å; F15-L195 HydrophobicContact CE1-CD2 4.18Å; L25-L195 HydrophobicContact CD1-CD1 4.37Å; L25-L195 HydrophobicContact CD1-CD2 4.06Å; L25-L195 HydrophobicContact CD1-CG 4.12Å; L25-L195 HydrophobicContact CD2-CD2 3.73Å; P193-L195 PolarHBondContact O-N 3.35Å; L195-W210 HydrophobicContact CD1-CE3 3.68Å; L195-W210 HydrophobicContact CD1-CZ3 4.09Å; L195-W210 HydrophobicContact CD2-CE3 4.5Å; L195-W210 HydrophobicContact CD2-CZ3 4.38Å; L195-F213 HydrophobicContact CD1-CD1 3.66Å; L195-F213 HydrophobicContact CD1-CE1 3.89Å
196S89.4Confident90.7Very high17 Ų1743 Ų4312%0.11923%0.225CC..  trans-61.5149.9169.3-53.20000111.2D11 R13 R14 R192D11-S196 WeakPolarHBondContact OD2-CB 3.33Å; R13-S196 PolarHBondContact O-OG 3.44Å; R14-S196 PolarHBondContact O-N 2.99Å; R14-S196 VanDerWaalsContact O-N 3.14Å; R14-S196 PolarHBondContact O-OG 2.85Å; R192-S196 PolarHBondContact NH1-O 2.87Å
197L88.8Confident90.5Very high9 Ų943.2 Ų43.25%0.04723%0.226CC..SBendtrans-70.9-49-175.3-68.5172.4000112.2V94 T95 V190 R192 T217V94-L197 HydrophobicContact CG1-CD1 3.52Å; T95-L197 HydrophobicContact CG2-CB 4.29Å; V190-L197 HydrophobicContact CB-CD1 3.76Å; V190-L197 HydrophobicContact CB-CD2 4.28Å; V190-L197 HydrophobicContact CG1-CD1 4.06Å; V190-L197 HydrophobicContact CG1-CD2 3.64Å; R192-L197 HydrophobicContact CB-CD2 3.53Å; R192-L197 PolarHBondContact NH1-O 3.21Å; L197-T217 HydrophobicContact CD2-CG2 4.32Å
198S88.2Confident90.3Very high18 Ų1844.7 Ų44.713%0.12623%0.234CC..  trans-142.6163.9173.8-172.40000108.2D11 S202 D207D11-S198 WeakPolarHBondContact CB-O 3.31Å; S198-S202 PolarHBondContact OG-OG 2.85Å; S198-S202 VanDerWaalsContact OG-OG 3.09Å; S198-D207 VanDerWaalsContact CB-OD2 3.31Å; S198-D207 WeakPolarHBondContact CB-OD2 3.41Å; S198-D207 PolarHBondContact OG-OD2 2.69Å
199T87.9Confident90.1Very high23 Ų2347.8 Ų47.814%0.14125%0.25CC..  trans-128.5154.3172.149.90000108.7D11 R14 E201 S202D11-T199 HydrophobicContact CB-CG2 4.48Å; D11-T199 WeakPolarHBondContact O-CA 3.46Å; D11-T199 WeakPolarHBondContact O-CB 3.31Å; R14-T199 HydrophobicContact CB-CG2 3.96Å; R14-T199 VanDerWaalsContact NH2-N 3.12Å; R14-T199 PolarHBondContact NH2-OG1 3.41Å; T199-E201 PolarHBondContact O-N 2.64Å; T199-S202 PolarHBondContact N-OG 2.79Å; T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 PolarHBondContact O-OG 3.44Å; T199-S202 WeakPolarHBondContact OG1-CB 3.43Å; T199-S202 PolarHBondContact OG1-OG 3.01Å
200I84.1Confident90.1Very high37 Ų3744.4 Ų44.419%0.1924%0.237CC..THydrogen-bonded Turntrans-49.7-30.1-177.6-79.2163.3000114.5F10 D11 F12 I266F10-I200 HydrophobicContact CB-CD1 3.59Å; F10-I200 HydrophobicContact CB-CG1 3.95Å; F10-I200 HydrophobicContact CG-CD1 4.2Å; F10-I200 HydrophobicContact CG-CG1 4.46Å; D11-I200 PolarHBondContact O-N 2.77Å; F12-I200 HydrophobicContact CD1-CD1 3.49Å; F12-I200 VanDerWaalsContact CD1-CD1 3.49Å; F12-I200 HydrophobicContact CD2-CD1 4.25Å; F12-I200 HydrophobicContact CE1-CD1 3.14Å; F12-I200 HydrophobicContact CE2-CD1 3.96Å; F12-I200 HydrophobicContact CG-CD1 4.03Å; F12-I200 HydrophobicContact CZ-CD1 3.41Å; F12-I200 VanDerWaalsContact CZ-CD1 3.41Å; I200-I266 HydrophobicContact CD1-CG1 4.19Å; I200-I266 HydrophobicContact CG1-CD1 4.29Å; I200-I266 HydrophobicContact CG1-CG1 4.35Å; I200-I266 HydrophobicContact CG2-CB 4.24Å; I200-I266 HydrophobicContact CG2-CD1 3.6Å; I200-I266 HydrophobicContact CG2-CG1 3.56Å; I200-I266 HydrophobicContact CG2-CG2 3.65Å
201E79.5Confident90Very high144 Ų14443.7 Ų43.767%0.67323%0.233SC*.THydrogen-bonded Turntrans-104.42.3-176.6-55-166.7143.300114.1T199 R270T199-E201 PolarHBondContact O-N 2.64Å; E201-R270 IonicContact OE1-CZ 3.95Å; E201-R270 IonicContact OE1-NE 3.44Å; E201-R270 PolarHBondContact OE1-NE 3.09Å; E201-R270 IonicContact OE1-NH2 3.55Å
202S86.1Confident90.1Very high26 Ų2641.9 Ų41.918%0.18222%0.218CC..  trans-79.4136.5-17946.80000111.8R14 S198 T199 D207R14-S202 PolarHBondContact NH2-OG 2.82Å; S198-S202 PolarHBondContact OG-OG 2.85Å; S198-S202 VanDerWaalsContact OG-OG 3.09Å; T199-S202 PolarHBondContact N-OG 2.79Å; T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 PolarHBondContact O-OG 3.44Å; T199-S202 WeakPolarHBondContact OG1-CB 3.43Å; T199-S202 PolarHBondContact OG1-OG 3.01Å; S202-D207 VanDerWaalsContact CB-OD1 3.24Å; S202-D207 WeakPolarHBondContact CB-OD1 3.33Å; S202-D207 PolarHBondContact OG-OD1 3.41Å; S202-D207 PolarHBondContact OG-OD2 3.42Å; S202-D207 VanDerWaalsContact OG-OD2 3.04Å
203S89.8Confident90.2Very high55 Ų5541.2 Ų41.239%0.38522%0.216SC..  trans-74.6159.6163.974.50000110.6L205 T206 D207S203-L205 PolarHBondContact O-N 3.29Å; S203-L205 PolarHBondContact OG-N 3.22Å; S203-T206 WeakPolarHBondContact O-CB 3.33Å; S203-T206 PolarHBondContact O-N 2.93Å; S203-T206 VanDerWaalsContact O-N 3.12Å; S203-T206 PolarHBondContact OG-N 2.66Å; S203-T206 VanDerWaalsContact OG-N 3.1Å; S203-T206 PolarHBondContact OG-OG1 2.63Å; S203-D207 PolarHBondContact O-N 2.81Å
204W88.9Confident90.4Very high85 Ų8538.9 Ų38.932%0.32220%0.201SC..Hα-helixtrans-54.2-36.6172.770.9-95.1000112.5E96 F97 R124 D207 L208E96-W204 HydrophobicContact CB-CB 4Å; E96-W204 HydrophobicContact CG-CB 3.94Å; F97-W204 HydrophobicContact CZ-CE3 4.32Å; F97-W204 WeakPolarHBondContact CZ-O 3.37Å; R124-W204 VanDerWaalsContact NH1-CB 3.27Å; W204-D207 PolarHBondContact O-N 2.73Å; W204-L208 HydrophobicContact CZ3-CD2 4.15Å; W204-L208 PolarHBondContact O-N 3.26Å
205L91.8Very high90.8Very high83 Ų8338.4 Ų38.444%0.43520%0.202SC..Hα-helixtrans-71.6-41.4-179.6-179.461.8000110.8S203 D207 L208 L209S203-L205 PolarHBondContact O-N 3.29Å; S203-L205 PolarHBondContact OG-N 3.22Å; L205-D207 VanDerWaalsContact C-N 3.3Å; L205-D207 PolarHBondContact O-N 2.87Å; L205-L208 HydrophobicContact CD1-CD2 4.38Å; L205-L208 WeakPolarHBondContact O-CB 3.27Å; L205-L208 PolarHBondContact O-N 3.15Å; L205-L209 WeakPolarHBondContact O-CG 3.27Å; L205-L209 PolarHBondContact O-N 3.4Å
206T93.2Very high91Very high53 Ų5339.8 Ų39.833%0.32521%0.212SC..Hα-helixtrans-57.9-47172.4-53.50000109.9S203 L208 L209 W210S203-T206 WeakPolarHBondContact O-CB 3.33Å; S203-T206 PolarHBondContact O-N 2.93Å; S203-T206 VanDerWaalsContact O-N 3.12Å; S203-T206 PolarHBondContact OG-N 2.66Å; S203-T206 VanDerWaalsContact OG-N 3.1Å; S203-T206 PolarHBondContact OG-OG1 2.63Å; T206-L208 VanDerWaalsContact C-N 3.29Å; T206-L208 PolarHBondContact O-N 2.75Å; T206-L209 PolarHBondContact O-N 3.34Å; T206-W210 PolarHBondContact O-N 2.87Å
207D93.4Very high91.3Very high4 Ų439 Ų392%0.02121%0.206CC..Hα-helixtrans-62.8-34.2176.8-73.9-20000113.2R14 F97 S198 S202 S203 W204 L205 T211R14-D207 IonicContact CZ-OD1 2.63Å; R14-D207 IonicContact NH1-OD1 2.81Å; R14-D207 PolarHBondContact NH1-OD1 3.43Å; R14-D207 IonicContact NH2-OD1 2.69Å; R14-D207 PolarHBondContact NH2-OD1 3.48Å; F97-D207 HydrophobicContact CE2-CB 4.35Å; S198-D207 VanDerWaalsContact CB-OD2 3.31Å; S198-D207 WeakPolarHBondContact CB-OD2 3.41Å; S198-D207 PolarHBondContact OG-OD2 2.69Å; S202-D207 VanDerWaalsContact CB-OD1 3.24Å; S202-D207 WeakPolarHBondContact CB-OD1 3.33Å; S202-D207 PolarHBondContact OG-OD1 3.41Å; S202-D207 PolarHBondContact OG-OD2 3.42Å; S202-D207 VanDerWaalsContact OG-OD2 3.04Å; S203-D207 PolarHBondContact O-N 2.81Å; W204-D207 PolarHBondContact O-N 2.73Å; L205-D207 VanDerWaalsContact C-N 3.3Å; L205-D207 PolarHBondContact O-N 2.87Å; D207-T211 WeakPolarHBondContact O-CB 3.43Å; D207-T211 PolarHBondContact O-N 3.47Å; D207-T211 PolarHBondContact O-OG1 3.09Å
208L93.1Very high91.6Very high31 Ų3139.5 Ų39.516%0.16221%0.21CC..Hα-helixtrans-62-48.7172-17054.7000111.9F97 W204 L205 T206 W210 T211 F212F97-L208 HydrophobicContact CE1-CB 4.45Å; F97-L208 HydrophobicContact CE1-CD1 3.88Å; F97-L208 HydrophobicContact CE2-CB 4.15Å; F97-L208 HydrophobicContact CE2-CD1 4.25Å; F97-L208 HydrophobicContact CZ-CB 3.62Å; F97-L208 HydrophobicContact CZ-CD1 3.73Å; F97-L208 HydrophobicContact CZ-CD2 4.48Å; F97-L208 HydrophobicContact CZ-CG 4.12Å; W204-L208 HydrophobicContact CZ3-CD2 4.15Å; W204-L208 PolarHBondContact O-N 3.26Å; L205-L208 HydrophobicContact CD1-CD2 4.38Å; L205-L208 WeakPolarHBondContact O-CB 3.27Å; L205-L208 PolarHBondContact O-N 3.15Å; T206-L208 VanDerWaalsContact C-N 3.29Å; T206-L208 PolarHBondContact O-N 2.75Å; L208-W210 VanDerWaalsContact C-N 3.31Å; L208-W210 PolarHBondContact O-N 3.3Å; L208-T211 WeakPolarHBondContact O-CA 3.4Å; L208-T211 VanDerWaalsContact O-CB 3.27Å; L208-T211 WeakPolarHBondContact O-CB 3.29Å; L208-T211 PolarHBondContact O-N 3.29Å; L208-T211 VanDerWaalsContact O-N 3.08Å; L208-F212 HydrophobicContact CD1-CD1 4.34Å; L208-F212 HydrophobicContact CD1-CE1 3.66Å; L208-F212 HydrophobicContact CD1-CE2 4.11Å; L208-F212 HydrophobicContact CD1-CZ 3.54Å; L208-F212 HydrophobicContact CD2-CE2 4.25Å; L208-F212 HydrophobicContact CD2-CZ 4.24Å; L208-F212 HydrophobicContact CG-CD2 4.37Å; L208-F212 HydrophobicContact CG-CE1 4.29Å; L208-F212 HydrophobicContact CG-CE2 3.85Å; L208-F212 HydrophobicContact CG-CZ 3.81Å; L208-F212 PolarHBondContact O-N 3.32Å
209L94.9Very high92Very high66 Ų6638.7 Ų38.735%0.34620%0.204SC..Hα-helixtrans-60.7-42.8-180-66.7175.2000111.2M36 I40 L205 T206 T211 F212 F213M36-L209 HydrophobicContact SD-CB 4.25Å; M36-L209 HydrophobicContact SD-CD2 4.45Å; I40-L209 HydrophobicContact CD1-CD2 3.73Å; I40-L209 HydrophobicContact CG1-CD2 4.31Å; L205-L209 WeakPolarHBondContact O-CG 3.27Å; L205-L209 PolarHBondContact O-N 3.4Å; T206-L209 PolarHBondContact O-N 3.34Å; L209-T211 VanDerWaalsContact C-N 3.31Å; L209-T211 PolarHBondContact O-N 3.24Å; L209-F212 PolarHBondContact O-N 2.94Å; L209-F213 WeakPolarHBondContact O-CB 3.13Å; L209-F213 PolarHBondContact O-N 3.37Å
210W95.1Very high92.4Very high63 Ų6340.5 Ų40.524%0.23921%0.211CC..Hα-helixtrans-67.9-31.5175.3-73.8108.2000113R14 F15 L195 T206 L208 F213 S214R14-W210 VanDerWaalsContact CD-CE2 3.42Å; F15-W210 AromaticContact CE1-CH2 3.79Å; F15-W210 HydrophobicContact CE1-CH2 3.79Å; F15-W210 HydrophobicContact CE1-CZ3 4.24Å; F15-W210 AromaticContact CZ-CH2 3.73Å; F15-W210 HydrophobicContact CZ-CH2 3.73Å; F15-W210 HydrophobicContact CZ-CZ2 4.19Å; L195-W210 HydrophobicContact CD1-CE3 3.68Å; L195-W210 HydrophobicContact CD1-CZ3 4.09Å; L195-W210 HydrophobicContact CD2-CE3 4.5Å; L195-W210 HydrophobicContact CD2-CZ3 4.38Å; T206-W210 PolarHBondContact O-N 2.87Å; L208-W210 VanDerWaalsContact C-N 3.31Å; L208-W210 PolarHBondContact O-N 3.3Å; W210-F213 HydrophobicContact CE3-CB 4.39Å; W210-F213 AromaticContact CE3-CD1 3.95Å; W210-F213 HydrophobicContact CE3-CD1 3.95Å; W210-F213 HydrophobicContact CE3-CG 4.25Å; W210-F213 AromaticContact CZ3-CD1 4Å; W210-F213 HydrophobicContact CZ3-CD1 4Å; W210-F213 HydrophobicContact CZ3-CE1 4.22Å; W210-F213 HydrophobicContact CZ3-CG 4.35Å; W210-F213 PolarHBondContact O-N 3.41Å; W210-S214 WeakPolarHBondContact O-CB 3.49Å; W210-S214 PolarHBondContact O-N 3.03Å
211T94.6Very high93Very high1 Ų138.8 Ų38.81%0.00620%0.202CC..Hα-helixtrans-62.8-43.9171.1-56.70000110.9M72 R192 D207 L208 L209 S214M72-T211 HydrophobicContact CG-CG2 3.73Å; M72-T211 HydrophobicContact SD-CG2 4.16Å; R192-T211 PolarHBondContact NH2-OG1 3.46Å; D207-T211 WeakPolarHBondContact O-CB 3.43Å; D207-T211 PolarHBondContact O-N 3.47Å; D207-T211 PolarHBondContact O-OG1 3.09Å; L208-T211 WeakPolarHBondContact O-CA 3.4Å; L208-T211 VanDerWaalsContact O-CB 3.27Å; L208-T211 WeakPolarHBondContact O-CB 3.29Å; L208-T211 PolarHBondContact O-N 3.29Å; L208-T211 VanDerWaalsContact O-N 3.08Å; L209-T211 VanDerWaalsContact C-N 3.31Å; L209-T211 PolarHBondContact O-N 3.24Å; T211-S214 PolarHBondContact O-N 3.27Å
212F95.1Very high93.8Very high16 Ų1632.5 Ų32.57%0.0717%0.174CC..Hα-helixtrans-70.6-33.8177.6-68-13.8000113.3M36 R39 I40 L70 L208 L209M36-F212 HydrophobicContact CB-CB 4.41Å; M36-F212 HydrophobicContact CG-CB 3.93Å; R39-F212 HydrophobicContact CB-CB 4.04Å; R39-F212 HydrophobicContact CB-CD1 4.2Å; R39-F212 HydrophobicContact CB-CD2 4.35Å; R39-F212 HydrophobicContact CB-CG 3.95Å; R39-F212 WeakPolarHBondContact CD-O 3.44Å; R39-F212 PolarHBondContact NH1-O 2.76Å; I40-F212 HydrophobicContact CG1-CD2 3.69Å; I40-F212 HydrophobicContact CG1-CE2 4.1Å; L70-F212 HydrophobicContact CB-CD1 4.4Å; L70-F212 HydrophobicContact CB-CE1 3.9Å; L70-F212 HydrophobicContact CD1-CE1 4.24Å; L70-F212 HydrophobicContact CD1-CZ 4.38Å; L70-F212 HydrophobicContact CD2-CE1 4.11Å; L70-F212 HydrophobicContact CD2-CZ 4.25Å; L70-F212 HydrophobicContact CG-CE1 4.3Å; L208-F212 HydrophobicContact CD1-CD1 4.34Å; L208-F212 HydrophobicContact CD1-CE1 3.66Å; L208-F212 HydrophobicContact CD1-CE2 4.11Å; L208-F212 HydrophobicContact CD1-CZ 3.54Å; L208-F212 HydrophobicContact CD2-CE2 4.25Å; L208-F212 HydrophobicContact CD2-CZ 4.24Å; L208-F212 HydrophobicContact CG-CD2 4.37Å; L208-F212 HydrophobicContact CG-CE1 4.29Å; L208-F212 HydrophobicContact CG-CE2 3.85Å; L208-F212 HydrophobicContact CG-CZ 3.81Å; L208-F212 PolarHBondContact O-N 3.32Å; L209-F212 PolarHBondContact O-N 2.94Å
213F96Very high94.3Very high14 Ų1431.5 Ų31.56%0.06117%0.166CC..Hα-helixtrans-68.4-38.1173.1175-86.3000112.2L25 Y28 G32 I33 M36 L195 L209 W210L25-F213 HydrophobicContact CD1-CE1 3.79Å; L25-F213 HydrophobicContact CD1-CZ 4.28Å; Y28-F213 AromaticContact CD1-CE1 3.95Å; Y28-F213 HydrophobicContact CD1-CE1 3.95Å; Y28-F213 AromaticContact CD1-CZ 3.95Å; Y28-F213 HydrophobicContact CD1-CZ 3.95Å; Y28-F213 HydrophobicContact CE1-CD1 4.2Å; Y28-F213 AromaticContact CE1-CE1 3.73Å; Y28-F213 HydrophobicContact CE1-CE1 3.73Å; Y28-F213 AromaticContact CE1-CZ 3.95Å; Y28-F213 HydrophobicContact CE1-CZ 3.95Å; Y28-F213 VanDerWaalsContact CE1-O 3.28Å; Y28-F213 WeakPolarHBondContact CE1-O 3.28Å; Y28-F213 PolarHBondContact OH-O 3.34Å; G32-F213 WeakPolarHBondContact O-CD2 3.23Å; I33-F213 HydrophobicContact CG1-CD2 4.37Å; I33-F213 HydrophobicContact CG1-CE2 4.11Å; M36-F213 HydrophobicContact CB-CB 4.23Å; M36-F213 HydrophobicContact CG-CB 4.44Å; M36-F213 HydrophobicContact SD-CB 4.23Å; L195-F213 HydrophobicContact CD1-CD1 3.66Å; L195-F213 HydrophobicContact CD1-CE1 3.89Å; L209-F213 WeakPolarHBondContact O-CB 3.13Å; L209-F213 PolarHBondContact O-N 3.37Å; W210-F213 HydrophobicContact CE3-CB 4.39Å; W210-F213 AromaticContact CE3-CD1 3.95Å; W210-F213 HydrophobicContact CE3-CD1 3.95Å; W210-F213 HydrophobicContact CE3-CG 4.25Å; W210-F213 AromaticContact CZ3-CD1 4Å; W210-F213 HydrophobicContact CZ3-CD1 4Å; W210-F213 HydrophobicContact CZ3-CE1 4.22Å; W210-F213 HydrophobicContact CZ3-CG 4.35Å; W210-F213 PolarHBondContact O-N 3.41Å
214S94.4Very high94.6Very high0 Ų029.9 Ų29.90%015%0.153CC..SBendtrans-61.5140.4-179.4-177.30000111.8R39 R192 W210 T211 C216R39-S214 PolarHBondContact NH1-O 3.15Å; R192-S214 VanDerWaalsContact CG-OG 3.23Å; R192-S214 WeakPolarHBondContact CG-OG 3.35Å; W210-S214 WeakPolarHBondContact O-CB 3.49Å; W210-S214 PolarHBondContact O-N 3.03Å; T211-S214 PolarHBondContact O-N 3.27Å; S214-C216 VanDerWaalsContact C-N 3.26Å; S214-C216 PolarHBondContact O-N 3.05Å; S214-C216 PolarHBondContact OG-O 2.8Å
215P92.9Very high94.9Very high49 Ų4929.9 Ų29.932%0.31816%0.164SC..SBendtrans-50.5-47.8177.5-24.629.4000112.6Y28 R39 P193Y28-P215 HydrophobicContact CD2-CG 4.48Å; Y28-P215 HydrophobicContact CE1-CG 4.03Å; Y28-P215 HydrophobicContact CE2-CG 3.83Å; Y28-P215 WeakPolarHBondContact OH-CA 3.33Å; Y28-P215 WeakPolarHBondContact OH-CD 3.41Å; R39-P215 PolarHBondContact NH2-O 3.42Å; P193-P215 HydrophobicContact CG-CB 4.41Å; P193-P215 HydrophobicContact CG-CG 4.14Å
216C93.6Very high95.1Very high42 Ų4228 Ų2828%0.28416%0.157SC..  trans-154.9157.4173.160.90000110.6G71 P193 S214G71-C216 CarbonylContact O-C 3.58Å; G71-C216 WeakPolarHBondContact O-CA 3.39Å; P193-C216 WeakPolarHBondContact CD-O 3.44Å; S214-C216 VanDerWaalsContact C-N 3.26Å; S214-C216 PolarHBondContact O-N 3.05Å; S214-C216 PolarHBondContact OG-O 2.8Å
217T95.7Very high95.2Very high0 Ų026.6 Ų26.60%015%0.148CC..EExtended strand (participates in β ladder)trans-128.1118.4167.4-58.10000106.6G71 M72 H73 V190 S191 R192 L197 Y219G71-T217 PolarHBondContact O-N 3.2Å; M72-T217 WeakPolarHBondContact CA-O 3.32Å; H73-T217 PolarHBondContact N-O 3Å; V190-T217 HydrophobicContact CG1-CG2 3.6Å; S191-T217 CarbonylContact O-C 3.57Å; S191-T217 WeakPolarHBondContact O-CA 3.44Å; R192-T217 PolarHBondContact NE-OG1 2.89Å; R192-T217 PolarHBondContact NH2-OG1 3.48Å; L197-T217 HydrophobicContact CD2-CG2 4.32Å; T217-Y219 HydrophobicContact CG2-CD2 4.24Å; T217-Y219 HydrophobicContact CG2-CE2 3.58Å
218V95.6Very high95.3Very high20 Ų2029.7 Ų29.712%0.12117%0.17CC..EExtended strand (participates in β ladder)trans-107.8119.6-175.6-171.10000109.6H73 R75 S191 H220H73-V218 HydrophobicContact CB-CG1 4.44Å; H73-V218 HydrophobicContact CB-CG2 4.35Å; H73-V218 CarbonylContact O-C 3.5Å; H73-V218 WeakPolarHBondContact O-CA 3.29Å; R75-V218 HydrophobicContact CG-CG1 4.16Å; S191-V218 PolarHBondContact N-O 2.76Å; S191-V218 PolarHBondContact O-N 3.24Å; S191-V218 PolarHBondContact OG-O 2.93Å; V218-H220 WeakPolarHBondContact CG1-NE2 3.17Å
219Y96.4Very high95.4Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-96.5120.6176-65.7-99.8000109.2M72 H73 V74 R75 T95 I101 L188 V190 T217M72-Y219 HydrophobicContact CB-CE2 4.18Å; M72-Y219 HydrophobicContact CG-CE2 4.22Å; H73-Y219 PolarHBondContact O-N 3.35Å; V74-Y219 WeakPolarHBondContact CA-O 3.35Å; R75-Y219 PolarHBondContact N-O 3.36Å; T95-Y219 HydrophobicContact CG2-CE1 4.37Å; T95-Y219 PolarHBondContact OG1-OH 2.88Å; I101-Y219 HydrophobicContact CB-CD1 4.18Å; I101-Y219 HydrophobicContact CB-CE1 4.46Å; I101-Y219 HydrophobicContact CB-CG 4.36Å; I101-Y219 HydrophobicContact CD1-CD2 3.97Å; I101-Y219 HydrophobicContact CD1-CE2 3.95Å; I101-Y219 HydrophobicContact CD1-CG 4.4Å; I101-Y219 HydrophobicContact CG1-CD1 3.89Å; I101-Y219 HydrophobicContact CG1-CD2 3.98Å; I101-Y219 HydrophobicContact CG1-CE1 3.81Å; I101-Y219 HydrophobicContact CG1-CE2 3.89Å; I101-Y219 HydrophobicContact CG1-CG 3.99Å; I101-Y219 HydrophobicContact CG2-CD1 3.88Å; I101-Y219 HydrophobicContact CG2-CD2 4.33Å; I101-Y219 HydrophobicContact CG2-CG 3.72Å; L188-Y219 HydrophobicContact CD1-CD1 4.22Å; V190-Y219 HydrophobicContact CB-CD1 4.29Å; V190-Y219 HydrophobicContact CB-CE1 4.35Å; V190-Y219 HydrophobicContact CG1-CD1 3.9Å; V190-Y219 HydrophobicContact CG1-CD2 4.5Å; V190-Y219 HydrophobicContact CG1-CE1 3.72Å; V190-Y219 HydrophobicContact CG1-CE2 4.35Å; V190-Y219 HydrophobicContact CG1-CG 4.28Å; V190-Y219 HydrophobicContact CG2-CD1 3.46Å; V190-Y219 VanDerWaalsContact CG2-CD1 3.46Å; V190-Y219 HydrophobicContact CG2-CE1 3.63Å; V190-Y219 HydrophobicContact CG2-CG 4.37Å; T217-Y219 HydrophobicContact CG2-CD2 4.24Å; T217-Y219 HydrophobicContact CG2-CE2 3.58Å
220H96.1Very high95.3Very high62 Ų6234.9 Ų34.929%0.28719%0.189SC..EExtended strand (participates in β ladder)trans-104.1111.3174.1-65.2-101.3000108.5R75 R189 V218R75-H220 WeakPolarHBondContact O-CA 3.34Å; R189-H220 HydrophobicContact CB-CB 4.21Å; R189-H220 PolarHBondContact N-O 3.02Å; R189-H220 WeakPolarHBondContact O-CB 3.45Å; R189-H220 PolarHBondContact O-N 3.24Å; V218-H220 WeakPolarHBondContact CG1-NE2 3.17Å
221V96.8Very high94.9Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-104.7113.8-179.7-174.90000108.9V74 R75 Q76 R77 L105 V186 L188 W223V74-V221 HydrophobicContact CG1-CG2 4.06Å; R75-V221 PolarHBondContact O-N 3.38Å; Q76-V221 CarbonylContact C-O 3.56Å; Q76-V221 WeakPolarHBondContact CA-O 3.35Å; R77-V221 PolarHBondContact N-O 3.5Å; L105-V221 HydrophobicContact CD1-CB 3.83Å; L105-V221 HydrophobicContact CD1-CG1 3.9Å; L105-V221 HydrophobicContact CD1-CG2 3.72Å; V186-V221 HydrophobicContact CG1-CG1 3.62Å; L188-V221 HydrophobicContact CD1-CG2 3.75Å; V221-W223 HydrophobicContact CG1-CZ2 4.38Å
222S96.3Very high94.6Very high13 Ų1344.2 Ų44.29%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-106.1122176.1-67.50000110.2R77 A187 E249R77-S222 WeakPolarHBondContact CB-OG 3.46Å; R77-S222 WeakPolarHBondContact CD-OG 3.46Å; A187-S222 PolarHBondContact N-O 3.27Å; A187-S222 PolarHBondContact O-N 3.42Å; S222-E249 PolarHBondContact OG-OE1 2.77Å
223W96.1Very high94.6Very high4 Ų444.8 Ų44.82%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-89.5125.6174.9-58.890.2000110.3R77 S81 R82 L105 T106 F108 Q184 V186 V221R77-W223 PolarHBondContact O-N 3.37Å; S81-W223 WeakPolarHBondContact CB-O 3.09Å; R82-W223 HydrophobicContact CB-CB 4.46Å; R82-W223 HydrophobicContact CB-CD2 4.06Å; R82-W223 HydrophobicContact CB-CE3 3.97Å; R82-W223 HydrophobicContact CB-CG 4.27Å; R82-W223 HydrophobicContact CG-CD2 4.23Å; R82-W223 HydrophobicContact CG-CE3 3.75Å; R82-W223 HydrophobicContact CG-CH2 4.49Å; R82-W223 HydrophobicContact CG-CZ3 3.91Å; L105-W223 HydrophobicContact CB-CZ2 4.49Å; T106-W223 WeakPolarHBondContact OG1-CH2 3.45Å; F108-W223 AromaticContact CE2-CH2 3.78Å; F108-W223 HydrophobicContact CE2-CH2 3.78Å; F108-W223 HydrophobicContact CE2-CZ3 4.41Å; F108-W223 AromaticContact CZ-CH2 3.81Å; F108-W223 HydrophobicContact CZ-CH2 3.81Å; F108-W223 HydrophobicContact CZ-CZ3 4.02Å; Q184-W223 HydrophobicContact CG-CE3 4.28Å; Q184-W223 HydrophobicContact CG-CZ3 4.4Å; V186-W223 HydrophobicContact CG2-CD2 4.5Å; V186-W223 HydrophobicContact CG2-CE3 3.62Å; V186-W223 HydrophobicContact CG2-CH2 4.34Å; V186-W223 HydrophobicContact CG2-CZ3 3.52Å; V221-W223 HydrophobicContact CG1-CZ2 4.38Å
224L96.7Very high94.5Very high22 Ų2246.3 Ų46.312%0.11528%0.279CS..PPolyproline II helixtrans-99.2156.9174.9-71.475.2000110.1Q184 P185 A187 L246 E249Q184-L224 PolarHBondContact NE2-O 2.95Å; P185-L224 HydrophobicContact CB-CB 4.15Å; P185-L224 HydrophobicContact CB-CD2 4.4Å; P185-L224 HydrophobicContact CG-CB 4.44Å; P185-L224 PolarHBondContact O-N 2.9Å; A187-L224 HydrophobicContact CB-CD1 3.82Å; L224-L246 HydrophobicContact CD1-CD2 4.16Å; L224-L246 HydrophobicContact CD2-CD2 4.35Å; L224-E249 HydrophobicContact CD1-CB 4.41Å; L224-E249 HydrophobicContact CD1-CG 4.04Å; L224-E249 HydrophobicContact CD2-CB 4.2Å
225P95.4Very high94.6Very high84 Ų8447.8 Ų47.855%0.54529%0.288SS..PPolyproline II helixtrans-58.5149.6174.1-23.734.9000112.5P185P185-P225 WeakPolarHBondContact CD-O 3.4Å
226P95.8Very high94.7Very high45 Ų4548 Ų4829%0.29229%0.285SS..PPolyproline II helixtrans-55.5143.9172.6-22.129.9000112D83 I183D83-P226 HydrophobicContact CB-CG 3.47Å; D83-P226 VanDerWaalsContact CB-CG 3.47Å; I183-P226 CarbonylContact O-C 3.6Å; I183-P226 VanDerWaalsContact O-CA 3.29Å; I183-P226 WeakPolarHBondContact O-CA 3.21Å
227V95.9Very high94.8Very high23 Ų2351.1 Ų51.114%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-121.6131.1178.2-168.50000107.9I183 P185 F238 L245I183-V227 PolarHBondContact N-O 3.19Å; I183-V227 PolarHBondContact O-N 3.41Å; P185-V227 HydrophobicContact CG-CG2 3.78Å; V227-F238 HydrophobicContact CB-CE2 4.39Å; V227-F238 HydrophobicContact CG1-CE2 3.89Å; V227-L245 HydrophobicContact CG1-CD1 4.38Å; V227-L245 HydrophobicContact CG2-CD1 3.78Å
228S94.8Very high94.9Very high68 Ų6851.1 Ų51.148%0.47630%0.295SS..EExtended strand (participates in β ladder)trans-105.8146.7174.8-56.20000111.2D181 S182D181-S228 CarbonylContact O-C 3.49Å; D181-S228 VanDerWaalsContact O-CA 3.22Å; D181-S228 WeakPolarHBondContact O-CA 3.36Å; S182-S228 WeakPolarHBondContact CB-OG 3.34Å; S182-S228 PolarHBondContact OG-OG 3.34Å
229R94.5Very high94.9Very high75 Ų7550.2 Ų50.228%0.28329%0.289SS..PPolyproline II helixtrans-66.9137.2171.6-174.6175.9177.4177.6-3.7109.8D181 E233 T235 F238D181-R229 PolarHBondContact O-N 2.9Å; R229-E233 WeakPolarHBondContact CA-OE2 3.09Å; R229-E233 HydrophobicContact CG-CB 4.21Å; R229-E233 PolarHBondContact NE-O 3.47Å; R229-E233 PolarHBondContact NH2-O 3.31Å; R229-T235 PolarHBondContact NH1-OG1 3.46Å; R229-T235 VanDerWaalsContact NH2-N 3.11Å; R229-T235 PolarHBondContact NH2-OG1 3.14Å; R229-F238 HydrophobicContact CB-CD1 3.97Å; R229-F238 HydrophobicContact CB-CD2 4.21Å; R229-F238 HydrophobicContact CB-CE1 4.09Å; R229-F238 HydrophobicContact CB-CE2 4.32Å; R229-F238 HydrophobicContact CB-CG 4.05Å; R229-F238 HydrophobicContact CB-CZ 4.26Å; R229-F238 HydrophobicContact CG-CB 4.26Å; R229-F238 HydrophobicContact CG-CD1 4.31Å; R229-F238 HydrophobicContact CG-CG 4.15Å
230Q92.8Very high94.9Very high132 Ų13253.4 Ų53.462%0.61731%0.306SS*.PPolyproline II helixtrans-87.5155.6178.4-65.5178.24.700111.6G232 E233Q230-G232 PolarHBondContact O-N 2.93Å; Q230-E233 HydrophobicContact CB-CB 4.2Å; Q230-E233 PolarHBondContact N-OE2 2.92Å; Q230-E233 VanDerWaalsContact O-CB 3.28Å; Q230-E233 WeakPolarHBondContact O-CB 3.42Å; Q230-E233 PolarHBondContact O-N 2.74Å; Q230-E233 VanDerWaalsContact O-N 3.09Å
231D87.7Confident95Very high174 Ų17452.9 Ų52.993%0.9330%0.303SS*.THydrogen-bonded Turntrans-60.5123.5176.1-64.4-38.2000110.6E233D231-E233 VanDerWaalsContact C-N 3.32Å; D231-E233 PolarHBondContact O-N 3.42Å
232G88.6Confident95Very high86 Ų8652.9 Ų52.989%0.88730%0.303SS*.THydrogen-bonded Turntrans84.2-8-177.800000115.7Q230Q230-G232 PolarHBondContact O-N 2.93Å
233E94.1Very high95.1Very high28 Ų2852.5 Ų52.513%0.13130%0.3CS..  trans-68.5131.3172.7-174.3176-153.400109.4R229 Q230 D231 E237 F238 K241R229-E233 WeakPolarHBondContact CA-OE2 3.09Å; R229-E233 HydrophobicContact CG-CB 4.21Å; R229-E233 PolarHBondContact NE-O 3.47Å; R229-E233 PolarHBondContact NH2-O 3.31Å; Q230-E233 HydrophobicContact CB-CB 4.2Å; Q230-E233 PolarHBondContact N-OE2 2.92Å; Q230-E233 VanDerWaalsContact O-CB 3.28Å; Q230-E233 WeakPolarHBondContact O-CB 3.42Å; Q230-E233 PolarHBondContact O-N 2.74Å; Q230-E233 VanDerWaalsContact O-N 3.09Å; D231-E233 VanDerWaalsContact C-N 3.32Å; D231-E233 PolarHBondContact O-N 3.42Å; E233-E237 HydrophobicContact CG-CB 3.91Å; E233-F238 HydrophobicContact CG-CB 4.2Å; E233-F238 WeakPolarHBondContact OE1-CA 3.41Å; E233-K241 WeakPolarHBondContact OE1-CD 3.41Å; E233-K241 IonicContact OE1-NZ 3.64Å; E233-K241 IonicContact OE2-NZ 3.53Å
234S95.4Very high95.1Very high46 Ų4657.7 Ų57.732%0.32232%0.324SS..  trans-72.9156.9174.370.60000111.6Q236 E237 F238S234-Q236 PolarHBondContact O-N 3.31Å; S234-E237 VanDerWaalsContact CB-OE2 3.31Å; S234-E237 WeakPolarHBondContact CB-OE2 3.32Å; S234-E237 PolarHBondContact N-OE2 2.84Å; S234-E237 PolarHBondContact O-N 3.34Å; S234-E237 WeakPolarHBondContact OG-CB 3.29Å; S234-E237 WeakPolarHBondContact OG-CG 3.31Å; S234-E237 PolarHBondContact OG-N 2.64Å; S234-E237 PolarHBondContact OG-OE2 3.21Å; S234-F238 PolarHBondContact O-N 2.84Å
235T94.8Very high95.1Very high31 Ų3159.7 Ų59.719%0.1934%0.335CS..Hα-helixtrans-59.4-36.5179.3-50.70000111.9S174 F177 T178 R229 A239S174-T235 WeakPolarHBondContact O-CG2 3.46Å; F177-T235 HydrophobicContact CB-CG2 3.63Å; T178-T235 HydrophobicContact CG2-CG2 3.75Å; R229-T235 PolarHBondContact NH1-OG1 3.46Å; R229-T235 VanDerWaalsContact NH2-N 3.11Å; R229-T235 PolarHBondContact NH2-OG1 3.14Å; T235-A239 WeakPolarHBondContact O-CB 3.32Å; T235-A239 PolarHBondContact O-N 2.89Å
236Q95.9Very high95.2Very high54 Ų5455.7 Ų55.725%0.25231%0.309SS..Hα-helixtrans-73.5-36.5178.8-174.564.863.600112.2F172 S234 F238 A239 N240F172-Q236 PolarHBondContact O-NE2 2.99Å; S234-Q236 PolarHBondContact O-N 3.31Å; Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-A239 PolarHBondContact O-N 3.21Å; Q236-N240 PolarHBondContact NE2-OD1 3.37Å; Q236-N240 WeakPolarHBondContact O-CB 3.44Å; Q236-N240 PolarHBondContact O-N 3.4Å; Q236-N240 PolarHBondContact O-ND2 3.21Å; Q236-N240 PolarHBondContact O-OD1 3.14Å
237E95.8Very high95.3Very high107 Ų10753.7 Ų53.750%0.530%0.296SS..Hα-helixtrans-62.8-43.5173.5-75.7160.6161.900110.8E233 S234 A239 N240 K241E233-E237 HydrophobicContact CG-CB 3.91Å; S234-E237 VanDerWaalsContact CB-OE2 3.31Å; S234-E237 WeakPolarHBondContact CB-OE2 3.32Å; S234-E237 PolarHBondContact N-OE2 2.84Å; S234-E237 PolarHBondContact O-N 3.34Å; S234-E237 WeakPolarHBondContact OG-CB 3.29Å; S234-E237 WeakPolarHBondContact OG-CG 3.31Å; S234-E237 PolarHBondContact OG-N 2.64Å; S234-E237 PolarHBondContact OG-OE2 3.21Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3Å; E237-N240 PolarHBondContact O-N 3.01Å; E237-K241 WeakPolarHBondContact O-CB 3.28Å; E237-K241 PolarHBondContact O-N 3.02Å
238F97Very high95.3Very high0 Ų058.5 Ų58.50%032%0.32CS..Hα-helixtrans-61.2-42.8175.2-175.8-132.8000112.2F177 I183 V227 R229 E233 S234 Q236 N240 K241 V242F177-F238 HydrophobicContact CB-CD1 4.06Å; F177-F238 AromaticContact CD1-CD1 3.64Å; F177-F238 HydrophobicContact CD1-CD1 3.64Å; F177-F238 AromaticContact CD1-CE1 3.83Å; F177-F238 HydrophobicContact CD1-CE1 3.83Å; F177-F238 HydrophobicContact CD1-CG 4.4Å; F177-F238 HydrophobicContact CG-CD1 4.29Å; I183-F238 HydrophobicContact CD1-CE1 4.13Å; I183-F238 HydrophobicContact CD1-CZ 4.07Å; I183-F238 HydrophobicContact CG1-CE1 4.22Å; I183-F238 HydrophobicContact CG1-CZ 3.86Å; I183-F238 HydrophobicContact CG2-CE1 4.38Å; V227-F238 HydrophobicContact CB-CE2 4.39Å; V227-F238 HydrophobicContact CG1-CE2 3.89Å; R229-F238 HydrophobicContact CB-CD1 3.97Å; R229-F238 HydrophobicContact CB-CD2 4.21Å; R229-F238 HydrophobicContact CB-CE1 4.09Å; R229-F238 HydrophobicContact CB-CE2 4.32Å; R229-F238 HydrophobicContact CB-CG 4.05Å; R229-F238 HydrophobicContact CB-CZ 4.26Å; R229-F238 HydrophobicContact CG-CB 4.26Å; R229-F238 HydrophobicContact CG-CD1 4.31Å; R229-F238 HydrophobicContact CG-CG 4.15Å; E233-F238 HydrophobicContact CG-CB 4.2Å; E233-F238 WeakPolarHBondContact OE1-CA 3.41Å; S234-F238 PolarHBondContact O-N 2.84Å; Q236-F238 VanDerWaalsContact C-N 3.33Å; F238-N240 PolarHBondContact O-N 2.97Å; F238-K241 PolarHBondContact O-N 3.25Å; F238-V242 HydrophobicContact CD2-CG2 4.24Å; F238-V242 HydrophobicContact CE2-CG2 3.94Å; F238-V242 HydrophobicContact CZ-CG2 4.25Å; F238-V242 VanDerWaalsContact O-CG2 3.28Å; F238-V242 WeakPolarHBondContact O-CG2 3.47Å; F238-V242 PolarHBondContact O-N 2.86Å
239A96.9Very high95.4Very high0 Ų057.9 Ų57.90%031%0.31CS..Hα-helixtrans-59.8-4517400000112.2F172 F177 T235 Q236 E237 V242 Q243F172-A239 HydrophobicContact CB-CB 4.35Å; F177-A239 HydrophobicContact CD1-CB 4.26Å; F177-A239 HydrophobicContact CD2-CB 3.46Å; F177-A239 VanDerWaalsContact CD2-CB 3.46Å; F177-A239 HydrophobicContact CE1-CB 4.27Å; F177-A239 HydrophobicContact CE2-CB 3.49Å; F177-A239 VanDerWaalsContact CE2-CB 3.49Å; F177-A239 HydrophobicContact CG-CB 3.89Å; F177-A239 HydrophobicContact CZ-CB 3.93Å; T235-A239 WeakPolarHBondContact O-CB 3.32Å; T235-A239 PolarHBondContact O-N 2.89Å; Q236-A239 PolarHBondContact O-N 3.21Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3Å; A239-V242 PolarHBondContact O-N 3.43Å; A239-Q243 WeakPolarHBondContact O-CB 3.19Å; A239-Q243 PolarHBondContact O-N 2.66Å
240N96.6Very high95.4Very high67 Ų6754.9 Ų54.936%0.35830%0.299SS..Hα-helixtrans-64.8-41.4178.8-64.9-19.9000111.7Q236 E237 F238 V242 Q243 E244Q236-N240 PolarHBondContact NE2-OD1 3.37Å; Q236-N240 WeakPolarHBondContact O-CB 3.44Å; Q236-N240 PolarHBondContact O-N 3.4Å; Q236-N240 PolarHBondContact O-ND2 3.21Å; Q236-N240 PolarHBondContact O-OD1 3.14Å; E237-N240 PolarHBondContact O-N 3.01Å; F238-N240 PolarHBondContact O-N 2.97Å; N240-V242 VanDerWaalsContact C-N 3.34Å; N240-V242 PolarHBondContact O-N 3.5Å; N240-Q243 WeakPolarHBondContact O-CB 3.49Å; N240-Q243 PolarHBondContact O-N 2.96Å; N240-E244 WeakPolarHBondContact O-CB 3.46Å; N240-E244 PolarHBondContact O-N 2.85Å
241K96.6Very high95.5Very high52 Ų5251.6 Ų51.623%0.22630%0.301CS..Hα-helixtrans-60-43.9175.4169.3179.1154.1-166.70111.4E233 E237 F238 E244 L245E233-K241 WeakPolarHBondContact OE1-CD 3.41Å; E233-K241 IonicContact OE1-NZ 3.64Å; E233-K241 IonicContact OE2-NZ 3.53Å; E237-K241 WeakPolarHBondContact O-CB 3.28Å; E237-K241 PolarHBondContact O-N 3.02Å; F238-K241 PolarHBondContact O-N 3.25Å; K241-E244 PolarHBondContact O-N 3.46Å; K241-L245 VanDerWaalsContact O-CG 3.31Å; K241-L245 WeakPolarHBondContact O-CG 3.21Å; K241-L245 PolarHBondContact O-N 3.47Å
242V97.5Very high95.9Very high0 Ų044.3 Ų44.30%026%0.262CS..Hα-helixtrans-69.7-37.7178174.40000111.1V90 F172 F177 I183 P185 F238 A239 N240 E244 L245 L246V90-V242 HydrophobicContact CG1-CG1 4.33Å; F172-V242 HydrophobicContact CE2-CG1 4.32Å; F177-V242 HydrophobicContact CE1-CB 3.78Å; F177-V242 HydrophobicContact CE1-CG1 3.99Å; F177-V242 HydrophobicContact CE1-CG2 3.9Å; F177-V242 HydrophobicContact CZ-CB 4.26Å; F177-V242 HydrophobicContact CZ-CG1 4.29Å; I183-V242 HydrophobicContact CD1-CB 4.28Å; I183-V242 HydrophobicContact CD1-CG1 3.87Å; I183-V242 HydrophobicContact CD1-CG2 3.69Å; I183-V242 HydrophobicContact CG1-CG2 4.43Å; P185-V242 HydrophobicContact CB-CG1 4.39Å; P185-V242 HydrophobicContact CG-CG1 4.33Å; F238-V242 HydrophobicContact CD2-CG2 4.24Å; F238-V242 HydrophobicContact CE2-CG2 3.94Å; F238-V242 HydrophobicContact CZ-CG2 4.25Å; F238-V242 VanDerWaalsContact O-CG2 3.28Å; F238-V242 WeakPolarHBondContact O-CG2 3.47Å; F238-V242 PolarHBondContact O-N 2.86Å; A239-V242 PolarHBondContact O-N 3.43Å; N240-V242 VanDerWaalsContact C-N 3.34Å; N240-V242 PolarHBondContact O-N 3.5Å; V242-E244 VanDerWaalsContact C-N 3.34Å; V242-L245 PolarHBondContact O-N 2.87Å; V242-L246 PolarHBondContact O-N 3.46Å
243Q97.6Very high96.1Very high5 Ų543.3 Ų43.32%0.02324%0.238CC..Hα-helixtrans-59-45.1171.9-172.1-173.8-19.100111.3L169 L170 F172 A239 N240 L246 A247 T255L169-Q243 HydrophobicContact CB-CG 4.39Å; L169-Q243 HydrophobicContact CD1-CG 4.36Å; L170-Q243 PolarHBondContact O-NE2 3.38Å; L170-Q243 VanDerWaalsContact O-NE2 3.08Å; F172-Q243 HydrophobicContact CB-CB 4.36Å; F172-Q243 HydrophobicContact CD1-CB 4.12Å; F172-Q243 HydrophobicContact CD1-CG 3.78Å; F172-Q243 HydrophobicContact CD2-CB 3.57Å; F172-Q243 HydrophobicContact CD2-CG 4.16Å; F172-Q243 HydrophobicContact CE1-CB 4.29Å; F172-Q243 HydrophobicContact CE1-CG 3.84Å; F172-Q243 VanDerWaalsContact CE2-CA 3.47Å; F172-Q243 HydrophobicContact CE2-CB 3.81Å; F172-Q243 HydrophobicContact CE2-CG 4.26Å; F172-Q243 HydrophobicContact CG-CB 3.76Å; F172-Q243 HydrophobicContact CG-CG 3.95Å; F172-Q243 HydrophobicContact CZ-CB 4.16Å; F172-Q243 HydrophobicContact CZ-CG 4.1Å; F172-Q243 VanDerWaalsContact N-OE1 3.16Å; A239-Q243 WeakPolarHBondContact O-CB 3.19Å; A239-Q243 PolarHBondContact O-N 2.66Å; N240-Q243 WeakPolarHBondContact O-CB 3.49Å; N240-Q243 PolarHBondContact O-N 2.96Å; Q243-L246 PolarHBondContact O-N 3.08Å; Q243-A247 VanDerWaalsContact O-CB 3.29Å; Q243-A247 WeakPolarHBondContact O-CB 3.49Å; Q243-A247 PolarHBondContact O-N 3.4Å; Q243-T255 PolarHBondContact NE2-O 3.24Å
244E97Very high96.1Very high112 Ų11244.5 Ų44.552%0.52325%0.249SC..Hα-helixtrans-65.2-42.1178.1-174.2170.3-162.200111.8N240 K241 V242 L246 A247 I248N240-E244 WeakPolarHBondContact O-CB 3.46Å; N240-E244 PolarHBondContact O-N 2.85Å; K241-E244 PolarHBondContact O-N 3.46Å; V242-E244 VanDerWaalsContact C-N 3.34Å; E244-L246 PolarHBondContact O-N 2.9Å; E244-A247 WeakPolarHBondContact O-CB 3.31Å; E244-A247 PolarHBondContact O-N 2.94Å; E244-I248 HydrophobicContact CG-CD1 4.03Å; E244-I248 VanDerWaalsContact O-CG1 3.28Å; E244-I248 WeakPolarHBondContact O-CG1 3.32Å; E244-I248 PolarHBondContact O-N 3.19Å
245L97.3Very high96Very high64 Ų6443.4 Ų43.434%0.33524%0.241SC..Hα-helixtrans-58.9-44.7174.5-72.4172.8000112.3V227 K241 V242 I248 E249V227-L245 HydrophobicContact CG1-CD1 4.38Å; V227-L245 HydrophobicContact CG2-CD1 3.78Å; K241-L245 VanDerWaalsContact O-CG 3.31Å; K241-L245 WeakPolarHBondContact O-CG 3.21Å; K241-L245 PolarHBondContact O-N 3.47Å; V242-L245 PolarHBondContact O-N 2.87Å; L245-I248 PolarHBondContact O-N 3.37Å; L245-E249 PolarHBondContact O-N 2.69Å; L245-E249 VanDerWaalsContact O-N 3.12Å
246L97.5Very high95.9Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-68.5-38.2176.2-72.5178.4000111.9L169 F172 P185 V186 A187 L224 V242 Q243 E244 I248 E249 L250L169-L246 HydrophobicContact CD1-CB 3.93Å; F172-L246 HydrophobicContact CE2-CD1 3.83Å; F172-L246 HydrophobicContact CZ-CD1 3.72Å; P185-L246 HydrophobicContact CB-CD2 3.94Å; P185-L246 HydrophobicContact CB-CG 4.29Å; V186-L246 WeakPolarHBondContact O-CD2 3.44Å; A187-L246 HydrophobicContact CB-CD2 3.84Å; L224-L246 HydrophobicContact CD1-CD2 4.16Å; L224-L246 HydrophobicContact CD2-CD2 4.35Å; V242-L246 PolarHBondContact O-N 3.46Å; Q243-L246 PolarHBondContact O-N 3.08Å; E244-L246 PolarHBondContact O-N 2.9Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 PolarHBondContact O-N 2.76Å; L246-E249 PolarHBondContact O-N 2.93Å; L246-L250 VanDerWaalsContact O-CB 3.29Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 WeakPolarHBondContact O-CD1 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.24Å; L246-L250 WeakPolarHBondContact O-CG 3.5Å; L246-L250 PolarHBondContact O-N 2.94Å
247A96.6Very high95.7Very high4 Ų450 Ų503%0.03327%0.267CS..Hα-helixtrans-60.2-43.8175.600000111.2L169 Q243 E244 L250 G251 L252L169-A247 HydrophobicContact CD1-CB 4.05Å; Q243-A247 VanDerWaalsContact O-CB 3.29Å; Q243-A247 WeakPolarHBondContact O-CB 3.49Å; Q243-A247 PolarHBondContact O-N 3.4Å; E244-A247 WeakPolarHBondContact O-CB 3.31Å; E244-A247 PolarHBondContact O-N 2.94Å; A247-L250 PolarHBondContact O-N 3.03Å; A247-G251 CarbonylContact O-C 3.59Å; A247-G251 WeakPolarHBondContact O-CA 3.24Å; A247-G251 PolarHBondContact O-N 3Å; A247-L252 WeakPolarHBondContact CB-O 3.41Å; A247-L252 PolarHBondContact O-N 3.4Å
248I96.6Very high95.6Very high123 Ų12346.9 Ų46.963%0.63126%0.256SS*.Hα-helixtrans-63-50.1176.8-68.3164.9000111.4E244 L245 L246 L250 G251E244-I248 HydrophobicContact CG-CD1 4.03Å; E244-I248 VanDerWaalsContact O-CG1 3.28Å; E244-I248 WeakPolarHBondContact O-CG1 3.32Å; E244-I248 PolarHBondContact O-N 3.19Å; L245-I248 PolarHBondContact O-N 3.37Å; L246-I248 VanDerWaalsContact C-N 3.33Å; L246-I248 PolarHBondContact O-N 2.76Å; I248-L250 VanDerWaalsContact C-N 3.28Å; I248-L250 PolarHBondContact O-N 3.04Å; I248-G251 PolarHBondContact O-N 2.97Å
249E96.1Very high95.3Very high56 Ų5649 Ų4926%0.26227%0.265SS..Hα-helixtrans-62.8-35.9179.517561.7-15900111.9R77 A187 S222 L224 L245 L246R77-E249 IonicContact CZ-OE1 3.81Å; R77-E249 IonicContact NH1-OE1 2.88Å; R77-E249 PolarHBondContact NH1-OE1 3.17Å; A187-E249 HydrophobicContact CB-CB 4.23Å; A187-E249 HydrophobicContact CB-CG 3.65Å; S222-E249 PolarHBondContact OG-OE1 2.77Å; L224-E249 HydrophobicContact CD1-CB 4.41Å; L224-E249 HydrophobicContact CD1-CG 4.04Å; L224-E249 HydrophobicContact CD2-CB 4.2Å; L245-E249 PolarHBondContact O-N 2.69Å; L245-E249 VanDerWaalsContact O-N 3.12Å; L246-E249 PolarHBondContact O-N 2.93Å
250L95.9Very high95Very high12 Ų1252.1 Ų52.16%0.06329%0.291CS..Hα-helixtrans-82.2-15.2179.8-66.8167.3000113.3N92 L169 A187 R189 L246 A247 I248 L252N92-L250 HydrophobicContact CB-CD1 4.12Å; N92-L250 WeakPolarHBondContact OD1-CD1 3.29Å; L169-L250 HydrophobicContact CD1-CD1 4.49Å; L169-L250 HydrophobicContact CD2-CD1 4.07Å; A187-L250 HydrophobicContact CB-CD1 4.42Å; A187-L250 HydrophobicContact CB-CD2 3.82Å; A187-L250 HydrophobicContact CB-CG 3.89Å; R189-L250 HydrophobicContact CB-CD2 4.18Å; R189-L250 PolarHBondContact NH2-O 3.45Å; L246-L250 VanDerWaalsContact O-CB 3.29Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 WeakPolarHBondContact O-CD1 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.24Å; L246-L250 WeakPolarHBondContact O-CG 3.5Å; L246-L250 PolarHBondContact O-N 2.94Å; A247-L250 PolarHBondContact O-N 3.03Å; I248-L250 VanDerWaalsContact C-N 3.28Å; I248-L250 PolarHBondContact O-N 3.04Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L252 HydrophobicContact CB-CB 4.3Å; L250-L252 HydrophobicContact CB-CD1 3.72Å; L250-L252 HydrophobicContact CB-CG 3.69Å; L250-L252 HydrophobicContact CD1-CD1 3.92Å; L250-L252 HydrophobicContact CG-CD1 4.41Å
251G95.1Very high94.7Very high63 Ų6352 Ų5265%0.64929%0.29SS*.THydrogen-bonded Turntrans68.133.2-170.900000112.9A247 I248A247-G251 CarbonylContact O-C 3.59Å; A247-G251 WeakPolarHBondContact O-CA 3.24Å; A247-G251 PolarHBondContact O-N 3Å; I248-G251 PolarHBondContact O-N 2.97Å
252L94.8Very high94.4Very high21 Ų2150 Ų5011%0.1128%0.281CS..  trans-109.8169.3-178.7-62.1179.6000110.8R166 L169 A247 L250R166-L252 WeakPolarHBondContact O-CD2 3.28Å; L169-L252 HydrophobicContact CD2-CD1 3.8Å; L169-L252 HydrophobicContact CG-CB 4.5Å; L169-L252 HydrophobicContact CG-CD1 4.22Å; A247-L252 WeakPolarHBondContact CB-O 3.41Å; A247-L252 PolarHBondContact O-N 3.4Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-L252 HydrophobicContact CB-CB 4.3Å; L250-L252 HydrophobicContact CB-CD1 3.72Å; L250-L252 HydrophobicContact CB-CG 3.69Å; L250-L252 HydrophobicContact CD1-CD1 3.92Å; L250-L252 HydrophobicContact CG-CD1 4.41Å
253V93.5Very high94Very high65 Ų6552.6 Ų52.639%0.39430%0.303SS..EExtended strand (participates in β ladder)trans-95.9130.5173.4-177.60000110.1A167 G168 L169 T255A167-V253 PolarHBondContact O-N 3.5Å; G168-V253 CarbonylContact C-O 3.51Å; G168-V253 WeakPolarHBondContact CA-O 3.12Å; L169-V253 PolarHBondContact N-O 2.83Å; V253-T255 HydrophobicContact CG1-CG2 4.47Å; V253-T255 PolarHBondContact O-N 3.47Å
254S93.9Very high93.6Very high52 Ų5256.6 Ų56.636%0.36432%0.321SS..EExtended strand (participates in β ladder)trans-74.3112.6167.655.60000109.7
255T93.3Very high93.2Very high23 Ų2352.9 Ų52.914%0.14130%0.304CS..  trans-98.3163.4-178.476.20000112.2M9 L169 Q243 V253 I257M9-T255 HydrophobicContact CE-CG2 4.04Å; M9-T255 HydrophobicContact SD-CG2 3.71Å; L169-T255 WeakPolarHBondContact O-CB 3.27Å; L169-T255 PolarHBondContact O-N 3.21Å; L169-T255 VanDerWaalsContact O-N 3.17Å; L169-T255 PolarHBondContact O-OG1 2.88Å; Q243-T255 PolarHBondContact NE2-O 3.24Å; V253-T255 HydrophobicContact CG1-CG2 4.47Å; V253-T255 PolarHBondContact O-N 3.47Å; T255-I257 VanDerWaalsContact C-N 3.33Å; T255-I257 PolarHBondContact OG1-N 3.46Å
256K93.5Very high92.7Very high190 Ų19051 Ų5183%0.82629%0.294SS*.  trans-92.14.4170.2-63.3-176.9-179.6179.60112.8
257I91.7Very high92.2Very high33 Ų3357.3 Ų57.317%0.16932%0.322CS..  trans-76.6124.2-176.4-62.7166.2000108.4I6 M9 L170 K171 T255 D261I6-I257 HydrophobicContact CB-CD1 3.94Å; I6-I257 HydrophobicContact CD1-CD1 4.45Å; I6-I257 HydrophobicContact CD1-CG2 3.62Å; I6-I257 HydrophobicContact CG1-CD1 4.11Å; I6-I257 HydrophobicContact CG1-CG2 4.08Å; M9-I257 HydrophobicContact SD-CD1 3.69Å; L170-I257 HydrophobicContact CD2-CB 4.24Å; L170-I257 HydrophobicContact CD2-CG2 3.81Å; L170-I257 VanDerWaalsContact CD2-O 3.32Å; L170-I257 WeakPolarHBondContact CD2-O 3.43Å; K171-I257 WeakPolarHBondContact CB-O 3.47Å; K171-I257 PolarHBondContact N-O 3.23Å; T255-I257 VanDerWaalsContact C-N 3.33Å; T255-I257 PolarHBondContact OG1-N 3.46Å; I257-D261 HydrophobicContact CG2-CB 3.94Å
258T92.8Very high91.7Very high42 Ų4264.5 Ų64.526%0.25835%0.348SS..  trans-91.6167179.665.90000112K171 A260 D261 K262K171-T258 HydrophobicContact CB-CG2 4.34Å; K171-T258 HydrophobicContact CD-CG2 4.04Å; T258-A260 PolarHBondContact O-N 3.18Å; T258-A260 PolarHBondContact OG1-N 3.38Å; T258-D261 WeakPolarHBondContact CB-OD2 3.33Å; T258-D261 PolarHBondContact N-OD2 2.99Å; T258-D261 PolarHBondContact O-N 2.89Å; T258-D261 PolarHBondContact OG1-N 2.95Å; T258-D261 VanDerWaalsContact OG1-N 3.13Å; T258-D261 PolarHBondContact OG1-OD2 3.31Å; T258-K262 PolarHBondContact O-N 3.45Å
259K91.1Very high91Very high44 Ų4461.4 Ų61.419%0.19133%0.33CS..Hα-helixtrans-54-38.7167172.7178.2176.81770112.6E114 E160 D161 K262 A263E114-K259 IonicContact OE1-NZ 2.97Å; E114-K259 PolarHBondContact OE1-NZ 3.1Å; E114-K259 IonicContact OE2-NZ 3.89Å; E114-K259 PolarHBondContact OE2-NZ 3.12Å; E160-K259 HydrophobicContact CB-CB 4.43Å; E160-K259 HydrophobicContact CB-CD 3.57Å; E160-K259 PolarHBondContact O-NZ 2.89Å; D161-K259 HydrophobicContact CB-CB 4.5Å; D161-K259 HydrophobicContact CB-CD 4.16Å; D161-K259 HydrophobicContact CB-CG 4.03Å; K259-K262 WeakPolarHBondContact O-CB 3.38Å; K259-K262 PolarHBondContact O-N 3.02Å; K259-A263 PolarHBondContact O-N 2.75Å
260A90.5Very high90.2Very high66 Ų6665.8 Ų65.855%0.54534%0.344SS..Hα-helixtrans-65.5-42177.600000111.6T258 K262 A263 E264T258-A260 PolarHBondContact O-N 3.18Å; T258-A260 PolarHBondContact OG1-N 3.38Å; A260-K262 VanDerWaalsContact C-N 3.32Å; A260-K262 PolarHBondContact O-N 3.34Å; A260-A263 PolarHBondContact O-N 3.35Å; A260-E264 WeakPolarHBondContact O-CB 3.48Å; A260-E264 PolarHBondContact O-N 3.2Å
261D90.9Very high89.2Confident66 Ų6672.2 Ų72.235%0.35337%0.373SS..Hα-helixtrans-63-40175.9-58.2-44.7000111.4I257 T258 E264 H265I257-D261 HydrophobicContact CG2-CB 3.94Å; T258-D261 WeakPolarHBondContact CB-OD2 3.33Å; T258-D261 PolarHBondContact N-OD2 2.99Å; T258-D261 PolarHBondContact O-N 2.89Å; T258-D261 PolarHBondContact OG1-N 2.95Å; T258-D261 VanDerWaalsContact OG1-N 3.13Å; T258-D261 PolarHBondContact OG1-OD2 3.31Å; D261-E264 PolarHBondContact O-N 3.47Å; D261-H265 VanDerWaalsContact O-CB 3.32Å; D261-H265 WeakPolarHBondContact O-CB 3.39Å; D261-H265 PolarHBondContact O-N 2.91Å
262K89.8Confident87.9Confident9 Ų973.1 Ų73.14%0.03937%0.37CS..Hα-helixtrans-58.8-52.5172176.8-172.9177.9-170.60110.7F10 D161 T162 L170 T258 K259 A260 E264 H265 I266F10-K262 HydrophobicContact CD1-CD 4.15Å; F10-K262 HydrophobicContact CE1-CD 3.39Å; F10-K262 VanDerWaalsContact CE1-CE 3.44Å; F10-K262 HydrophobicContact CE1-CG 3.88Å; F10-K262 HydrophobicContact CE2-CB 4.25Å; F10-K262 HydrophobicContact CE2-CD 4.29Å; F10-K262 HydrophobicContact CE2-CG 3.83Å; F10-K262 HydrophobicContact CZ-CB 3.89Å; F10-K262 HydrophobicContact CZ-CD 3.48Å; F10-K262 VanDerWaalsContact CZ-CD 3.48Å; F10-K262 HydrophobicContact CZ-CG 3.47Å; F10-K262 VanDerWaalsContact CZ-CG 3.47Å; D161-K262 HydrophobicContact CB-CD 4.41Å; D161-K262 IonicContact OD1-NZ 2.85Å; D161-K262 PolarHBondContact OD1-NZ 2.74Å; D161-K262 VanDerWaalsContact OD2-CD 3.24Å; D161-K262 WeakPolarHBondContact OD2-CD 3.42Å; D161-K262 VanDerWaalsContact OD2-CE 3.28Å; D161-K262 WeakPolarHBondContact OD2-CE 3.38Å; D161-K262 IonicContact OD2-NZ 3.71Å; D161-K262 PolarHBondContact OD2-NZ 3.46Å; T162-K262 PolarHBondContact O-NZ 3.28Å; L170-K262 HydrophobicContact CD1-CD 4.41Å; T258-K262 PolarHBondContact O-N 3.45Å; K259-K262 WeakPolarHBondContact O-CB 3.38Å; K259-K262 PolarHBondContact O-N 3.02Å; A260-K262 VanDerWaalsContact C-N 3.32Å; A260-K262 PolarHBondContact O-N 3.34Å; K262-E264 VanDerWaalsContact C-N 3.29Å; K262-E264 PolarHBondContact O-N 2.97Å; K262-H265 PolarHBondContact O-N 3.12Å; K262-I266 HydrophobicContact CG-CD1 3.81Å; K262-I266 WeakPolarHBondContact O-CD1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.1Å; K262-I266 PolarHBondContact O-N 3.46Å
263A89.4Confident86Confident54 Ų5477.3 Ų77.345%0.44640%0.396SS..Hα-helixtrans-59.6-40.7179.800000112.1K259 A260 I266 K267K259-A263 PolarHBondContact O-N 2.75Å; A260-A263 PolarHBondContact O-N 3.35Å; A263-I266 PolarHBondContact O-N 2.94Å; A263-K267 WeakPolarHBondContact O-CB 3.23Å; A263-K267 PolarHBondContact O-N 3.44Å
264E89.2Confident83.8Confident89 Ų8978.5 Ų78.542%0.41641%0.405SS..Hα-helixtrans-64.7-46.1175.5-165.6-169.517700111.6A260 D261 K262 I266 K267 R268A260-E264 WeakPolarHBondContact O-CB 3.48Å; A260-E264 PolarHBondContact O-N 3.2Å; D261-E264 PolarHBondContact O-N 3.47Å; K262-E264 VanDerWaalsContact C-N 3.29Å; K262-E264 PolarHBondContact O-N 2.97Å; E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 3.21Å; E264-K267 WeakPolarHBondContact O-CB 3.37Å; E264-K267 PolarHBondContact O-N 3.5Å; E264-K267 VanDerWaalsContact O-N 3.14Å; E264-R268 VanDerWaalsContact CD-NH2 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 2.93Å; E264-R268 IonicContact OE1-CZ 2.82Å; E264-R268 IonicContact OE1-NE 3.34Å; E264-R268 PolarHBondContact OE1-NE 3.37Å; E264-R268 IonicContact OE1-NH2 3.53Å; E264-R268 PolarHBondContact OE1-NH2 3.21Å; E264-R268 IonicContact OE2-NH2 2.75Å
265H87.2Confident81.3Confident35 Ų3585.7 Ų85.716%0.16243%0.433CS..Hα-helixtrans-60.2-41.8178.2-175.982.6000111.9I6 E7 F12 D261 K262 R268 K269I6-H265 HydrophobicContact CD1-CB 3.85Å; E7-H265 IonicContact OE1-CE1 2.76Å; F12-H265 AromaticContact CZ-NE2 3.89Å; D261-H265 VanDerWaalsContact O-CB 3.32Å; D261-H265 WeakPolarHBondContact O-CB 3.39Å; D261-H265 PolarHBondContact O-N 2.91Å; K262-H265 PolarHBondContact O-N 3.12Å; H265-R268 PolarHBondContact O-N 2.88Å; H265-K269 VanDerWaalsContact NE2-CE 3.32Å; H265-K269 WeakPolarHBondContact NE2-CE 3.35Å; H265-K269 PolarHBondContact O-N 3.41Å
266I86.6Confident78.5Confident25 Ų2589.7 Ų89.713%0.12846%0.457CS..Hα-helixtrans-60.2-46.7174.4-64.9163.3000110.3I200 K262 A263 E264 R268 K269 R270I200-I266 HydrophobicContact CD1-CG1 4.19Å; I200-I266 HydrophobicContact CG1-CD1 4.29Å; I200-I266 HydrophobicContact CG1-CG1 4.35Å; I200-I266 HydrophobicContact CG2-CB 4.24Å; I200-I266 HydrophobicContact CG2-CD1 3.6Å; I200-I266 HydrophobicContact CG2-CG1 3.56Å; I200-I266 HydrophobicContact CG2-CG2 3.65Å; K262-I266 HydrophobicContact CG-CD1 3.81Å; K262-I266 WeakPolarHBondContact O-CD1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.1Å; K262-I266 PolarHBondContact O-N 3.46Å; A263-I266 PolarHBondContact O-N 2.94Å; E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 3.21Å; I266-R268 PolarHBondContact O-N 3.3Å; I266-K269 PolarHBondContact O-N 3.44Å; I266-R270 WeakPolarHBondContact O-CG 3.47Å; I266-R270 PolarHBondContact O-N 3.17Å; I266-R270 VanDerWaalsContact O-N 3.07Å
267K87.7Confident75.7Confident132 Ų13286.6 Ų86.657%0.57445%0.454SS*.Hα-helixtrans-60.6-44.9177.7-174.7179179-177.60111.6A263 E264 K269 R270 H271A263-K267 WeakPolarHBondContact O-CB 3.23Å; A263-K267 PolarHBondContact O-N 3.44Å; E264-K267 WeakPolarHBondContact O-CB 3.37Å; E264-K267 PolarHBondContact O-N 3.5Å; E264-K267 VanDerWaalsContact O-N 3.14Å; K267-K269 PolarHBondContact O-N 2.93Å; K267-R270 PolarHBondContact O-N 2.9Å; K267-H271 PolarHBondContact O-CD2 3.45Å; K267-H271 PolarHBondContact O-N 3.07Å
268R86.9Confident73.3Confident155 Ų15592 Ų9259%0.58549%0.489SS*.Hα-helixtrans-59.8-46.6177.4-70.7176-176.8-167.54.5111.4E264 H265 I266 R270 H271 S272E264-R268 VanDerWaalsContact CD-NH2 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 2.93Å; E264-R268 IonicContact OE1-CZ 2.82Å; E264-R268 IonicContact OE1-NE 3.34Å; E264-R268 PolarHBondContact OE1-NE 3.37Å; E264-R268 IonicContact OE1-NH2 3.53Å; E264-R268 PolarHBondContact OE1-NH2 3.21Å; E264-R268 IonicContact OE2-NH2 2.75Å; H265-R268 PolarHBondContact O-N 2.88Å; I266-R268 PolarHBondContact O-N 3.3Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R268-R270 PolarHBondContact O-N 2.89Å; R268-H271 PolarHBondContact O-N 3.05Å; R268-H271 VanDerWaalsContact O-N 3.12Å; R268-S272 PolarHBondContact O-N 3.24Å; R268-S272 PolarHBondContact O-OG 3.29Å
269K81.5Confident70.5Confident57 Ų5796.1 Ų96.125%0.24851%0.514CS..Hα-helixtrans-62.9-34.6178-84-165.3172-178.40113.5E7 F12 H265 I266 K267 H271 S272E7-K269 WeakPolarHBondContact OE1-CE 3.45Å; E7-K269 IonicContact OE1-NZ 2.82Å; E7-K269 PolarHBondContact OE1-NZ 2.7Å; E7-K269 IonicContact OE2-NZ 2.66Å; F12-K269 HydrophobicContact CD1-CD 4.25Å; F12-K269 HydrophobicContact CE1-CD 3.47Å; F12-K269 VanDerWaalsContact CE1-CD 3.47Å; F12-K269 HydrophobicContact CZ-CD 3.74Å; H265-K269 VanDerWaalsContact NE2-CE 3.32Å; H265-K269 WeakPolarHBondContact NE2-CE 3.35Å; H265-K269 PolarHBondContact O-N 3.41Å; I266-K269 PolarHBondContact O-N 3.44Å; K267-K269 PolarHBondContact O-N 2.93Å; K269-H271 VanDerWaalsContact C-N 3.3Å; K269-H271 PolarHBondContact O-N 3.42Å; K269-S272 WeakPolarHBondContact CA-OG 3.45Å; K269-S272 PolarHBondContact O-N 3.22Å; K269-S272 PolarHBondContact O-OG 3.38Å
270R79.4Confident68.1Low148 Ų14898.1 Ų98.156%0.55855%0.547SS*.Hα-helixtrans-63.5-35.4174-74177.6175.6168.63.3112.7E201 I266 K267 R268E201-R270 IonicContact OE1-CZ 3.95Å; E201-R270 IonicContact OE1-NE 3.44Å; E201-R270 PolarHBondContact OE1-NE 3.09Å; E201-R270 IonicContact OE1-NH2 3.55Å; I266-R270 WeakPolarHBondContact O-CG 3.47Å; I266-R270 PolarHBondContact O-N 3.17Å; I266-R270 VanDerWaalsContact O-N 3.07Å; K267-R270 PolarHBondContact O-N 2.9Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R268-R270 PolarHBondContact O-N 2.89Å
271H75.4Confident65.1Low148 Ų14899.3 Ų99.369%0.68556%0.558SS**Hα-helixtrans-85.6-19.7179.6-68.6-63.9000113.9K267 R268 K269K267-H271 PolarHBondContact O-CD2 3.45Å; K267-H271 PolarHBondContact O-N 3.07Å; R268-H271 PolarHBondContact O-N 3.05Å; R268-H271 VanDerWaalsContact O-N 3.12Å; K269-H271 VanDerWaalsContact C-N 3.3Å; K269-H271 PolarHBondContact O-N 3.42Å
272S67.6Low62.7Low81 Ų81103.3 Ų103.357%0.56658%0.584SS**Hα-helixtrans-88.1-8-178.367.40000114.7R268 K269 P274R268-S272 PolarHBondContact O-N 3.24Å; R268-S272 PolarHBondContact O-OG 3.29Å; K269-S272 WeakPolarHBondContact CA-OG 3.45Å; K269-S272 PolarHBondContact O-N 3.22Å; K269-S272 PolarHBondContact O-OG 3.38Å; S272-P274 WeakPolarHBondContact O-CD 3.38Å
273V54.8Low59.9Low109 Ų109108.4 Ų108.466%0.66162%0.621SS**SBendtrans-74.6111.2171.8178.50000108.2Q275V273-Q275 PolarHBondContact O-N 3.45Å
274P46.1Very low57.5Low90 Ų90110 Ų11058%0.58464%0.644SS**  trans-68.5124.4176.1-11.328.1000108.6S272 T276S272-P274 WeakPolarHBondContact O-CD 3.38Å; P274-T276 VanDerWaalsContact C-N 3.27Å; P274-T276 HydrophobicContact CB-CG2 4.24Å; P274-T276 PolarHBondContact O-N 3.43Å; P274-T276 PolarHBondContact O-OG1 3.5Å
275Q41.6Very low54.7Low204 Ų204111.1 Ų111.195%0.95366%0.661SS**  trans-58.197.7158.5-78.6-176.1-1.300107.4V273V273-Q275 PolarHBondContact O-N 3.45Å
276T35.6Very low52.4Low107 Ų107117.6 Ų117.666%0.65670%0.695SS**  trans-129122.4173.7330000108.7P274P274-T276 VanDerWaalsContact C-N 3.27Å; P274-T276 HydrophobicContact CB-CG2 4.24Å; P274-T276 PolarHBondContact O-N 3.43Å; P274-T276 PolarHBondContact O-OG1 3.5Å
277T34.8Very low49.7Very low124 Ų124119.5 Ų119.576%0.76172%0.721SS**  trans8579.8166.964.60000118.1T279T277-T279 PolarHBondContact O-N 3.35Å
278T39.9Very low47.1Very low146 Ų146121.7 Ų121.790%0.89674%0.738SS**  -44.7111.91261.50000110
279T35.2Very low44.4Very low129 Ų129117.7 Ų117.779%0.79175%0.745SS**  trans-142.5129.1144.939.10000107.5T277T277-T279 PolarHBondContact O-N 3.35Å
280G39.2Very low41.9Very low86 Ų86124.5 Ų124.589%0.88778%0.775SS**  trans-70.1139.7-170.100000113.5
281A29.3Very low40.1Very low92 Ų92126.6 Ų126.676%0.7679%0.793SS**  trans-150.2108.4151.900000108S283A281-S283 PolarHBondContact O-N 3.01Å
282T39.4Very low38.3Very low149 Ų149122.7 Ų122.791%0.91479%0.787SS**  trans-59.2117.2163.229.80000109
283S30.9Very low36.9Very low116 Ų116128.2 Ų128.281%0.81180%0.804SS**  trans-141.9105.8159.6-89.10000108.2A281 S285A281-S283 PolarHBondContact O-N 3.01Å; S283-S285 PolarHBondContact O-N 3.12Å
284G39.8Very low36Very low89 Ų89127 Ų12792%0.91880%0.8SS**  trans-65.4117.2171.500000109.4
285S30Very low35.7Very low112 Ų112129.5 Ų129.578%0.78381%0.808SS**  trans-120.2115.9159.51770000106.8S283 G287S283-S285 PolarHBondContact O-N 3.12Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 2.86Å
286I38.8Very low35.8Very low170 Ų170122.5 Ų122.587%0.87279%0.79SS**  trans-65.394.2175.3-62.7170.7000107.1
287G30.4Very low36.7Very low65 Ų65121.2 Ų121.267%0.6779%0.785SS**  trans-88.6112.4168.300000109.1S285 G289S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 2.86Å; G287-G289 PolarHBondContact O-N 3.47Å
288L32.7Very low37.9Very low178 Ų178118.4 Ų118.493%0.93277%0.765SS**  trans-59.3106.1170.3-145.987.8000108.3F290L288-F290 PolarHBondContact O-N 3.48Å
289G30Very low39.2Very low71 Ų71116.2 Ų116.273%0.73275%0.748SS**  trans-71.5123.1-172.600000112.8G287G287-G289 PolarHBondContact O-N 3.47Å
290F29.8Very low41.1Very low200 Ų200116.4 Ų116.488%0.87774%0.74SS**  trans-9680.6154.5-160.9-96.4000107.5L288 A292L288-F290 PolarHBondContact O-N 3.48Å; F290-A292 HydrophobicContact CE1-CB 4.46Å; F290-A292 PolarHBondContact O-N 2.9Å
291M40.3Very low43.2Very low193 Ų193117.8 Ų117.895%0.95172%0.719SS**  trans-82.8100.1168-88.8-158.2-178.800108.9
292A38.3Very low45.8Very low66 Ų66114.6 Ų114.655%0.54569%0.688SS.*  trans-149.2130.9152.600000107.4F290F290-A292 HydrophobicContact CE1-CB 4.46Å; F290-A292 PolarHBondContact O-N 2.9Å
293Q37Very low48Very low197 Ų197110.1 Ų110.192%0.92167%0.666SS**SBendtrans104.813168.9-51.8179.98.200120
294S36Very low50.6Low84 Ų84111.4 Ų111.459%0.58766%0.657SS**SBendtrans-105.8-10.8167.1-163.50000115.4
295L40.5Very low52.8Low142 Ų142108.3 Ų108.374%0.74362%0.619SS**Hα-helixtrans-77.6-29.1-174.6-138.374.5000113.4
296G44.7Very low55.5Low56 Ų56103 Ų10358%0.57758%0.582SS**Hα-helixtrans-77.6-24.6-177.200000115H300G296-H300 WeakPolarHBondContact O-CB 3.39Å; G296-H300 PolarHBondContact O-N 3.3Å
297S54.5Low57.8Low80 Ų8099.6 Ų99.656%0.55956%0.563SS**Hα-helixtrans-74.7-45.6-177.4159.30000111.9R301S297-R301 WeakPolarHBondContact O-CB 3.38Å; S297-R301 PolarHBondContact O-N 3.13Å; S297-R301 VanDerWaalsContact O-N 3.1Å
298D58.4Low60.5Low65 Ų65101.7 Ų101.735%0.34856%0.555SS.*Hα-helixtrans-72.8-37.6-179.5-77.3-46.4000111.7H300 R301 I302D298-H300 PolarHBondContact O-N 3.44Å; D298-R301 PolarHBondContact O-N 3.43Å; D298-R301 IonicContact OD1-CZ 3.65Å; D298-R301 IonicContact OD1-NE 3.57Å; D298-R301 IonicContact OD1-NH2 2.87Å; D298-R301 PolarHBondContact OD1-NH2 3.1Å; D298-I302 WeakPolarHBondContact O-CB 3.29Å; D298-I302 VanDerWaalsContact O-CG1 3.25Å; D298-I302 WeakPolarHBondContact O-CG1 3.38Å; D298-I302 PolarHBondContact O-N 2.97Å
299D68.6Low62.9Low100 Ų10093.2 Ų93.254%0.53551%0.511SS..Hα-helixtrans-63.4-40174.6-76.6-18.2000112.1A303D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 2.87Å
300H75.3Confident65.6Low134 Ų13492.5 Ų92.562%0.6249%0.487SS*.Hα-helixtrans-70.9-32.8178.2-133.943.5000112.5G296 D298 K304G296-H300 WeakPolarHBondContact O-CB 3.39Å; G296-H300 PolarHBondContact O-N 3.3Å; D298-H300 PolarHBondContact O-N 3.44Å; H300-K304 WeakPolarHBondContact O-CG 3.36Å; H300-K304 PolarHBondContact O-N 3.39Å; H300-K304 VanDerWaalsContact O-N 3.17Å
301R83.3Confident68.2Low115 Ų11588.4 Ų88.443%0.43448%0.475SS..Hα-helixtrans-70.7-45.4174.8-171.2172.161.9133.4-7.9111.2S297 D298 A303 K304 M305 N329S297-R301 WeakPolarHBondContact O-CB 3.38Å; S297-R301 PolarHBondContact O-N 3.13Å; S297-R301 VanDerWaalsContact O-N 3.1Å; D298-R301 PolarHBondContact O-N 3.43Å; D298-R301 IonicContact OD1-CZ 3.65Å; D298-R301 IonicContact OD1-NE 3.57Å; D298-R301 IonicContact OD1-NH2 2.87Å; D298-R301 PolarHBondContact OD1-NH2 3.1Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.25Å; R301-K304 PolarHBondContact O-N 3.34Å; R301-M305 HydrophobicContact CG-CE 4.12Å; R301-M305 WeakPolarHBondContact O-CG 3.32Å; R301-M305 PolarHBondContact O-N 3.42Å; R301-N329 PolarHBondContact NH2-ND2 3.45Å
302I83.9Confident70.3Confident25 Ų2583.5 Ų83.513%0.12846%0.455CS..Hα-helixtrans-64.1-39.3175.9-67.3169.6000110.3D298 K304 M305 A306 T322 L325D298-I302 WeakPolarHBondContact O-CB 3.29Å; D298-I302 VanDerWaalsContact O-CG1 3.25Å; D298-I302 WeakPolarHBondContact O-CG1 3.38Å; D298-I302 PolarHBondContact O-N 2.97Å; I302-K304 PolarHBondContact O-N 3.45Å; I302-M305 HydrophobicContact CG1-CE 4.04Å; I302-M305 PolarHBondContact O-N 3.49Å; I302-A306 VanDerWaalsContact O-CB 3.24Å; I302-A306 WeakPolarHBondContact O-CB 3.44Å; I302-A306 PolarHBondContact O-N 2.9Å; I302-T322 HydrophobicContact CG2-CG2 3.84Å; I302-L325 HydrophobicContact CG2-CB 3.99Å
303A84.9Confident72.3Confident54 Ų5481.3 Ų81.345%0.44643%0.434SS..Hα-helixtrans-62.1-41.4176.200000112.7D299 R301 A306 Q307D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 2.87Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.25Å; A303-A306 PolarHBondContact O-N 3.33Å; A303-Q307 PolarHBondContact O-N 2.97Å
304K85.9Confident74.5Confident143 Ų14375.4 Ų75.462%0.62241%0.413SS*.Hα-helixtrans-64.6-44.9174.6-75.9-178.1-179.2-177.90112.1H300 R301 I302 A306 Q307 Q308H300-K304 WeakPolarHBondContact O-CG 3.36Å; H300-K304 PolarHBondContact O-N 3.39Å; H300-K304 VanDerWaalsContact O-N 3.17Å; R301-K304 PolarHBondContact O-N 3.34Å; I302-K304 PolarHBondContact O-N 3.45Å; K304-A306 VanDerWaalsContact C-N 3.29Å; K304-A306 PolarHBondContact O-N 3.27Å; K304-Q307 PolarHBondContact O-N 2.86Å; K304-Q308 WeakPolarHBondContact O-CG 3.45Å; K304-Q308 PolarHBondContact O-N 3.49Å; K304-Q308 VanDerWaalsContact O-N 3.12Å
305M85.3Confident76.3Confident25 Ų2579.4 Ų79.412%0.12342%0.422CS..Hα-helixtrans-64.1-36.7175.8-69.7-173.8-61.100111.5R301 I302 Q307 Q308 V309 L325 N329 V331R301-M305 HydrophobicContact CG-CE 4.12Å; R301-M305 WeakPolarHBondContact O-CG 3.32Å; R301-M305 PolarHBondContact O-N 3.42Å; I302-M305 HydrophobicContact CG1-CE 4.04Å; I302-M305 PolarHBondContact O-N 3.49Å; M305-Q307 VanDerWaalsContact C-N 3.34Å; M305-Q307 PolarHBondContact O-N 3.35Å; M305-Q308 WeakPolarHBondContact O-CB 3.38Å; M305-Q308 PolarHBondContact O-N 3.25Å; M305-V309 WeakPolarHBondContact O-CG2 3.41Å; M305-V309 PolarHBondContact O-N 3Å; M305-L325 HydrophobicContact CB-CD1 3.82Å; M305-L325 HydrophobicContact CB-CD2 3.98Å; M305-N329 WeakPolarHBondContact CE-OD1 3.4Å; M305-V331 HydrophobicContact CB-CG2 3.72Å; M305-V331 HydrophobicContact CG-CG2 3.84Å; M305-V331 HydrophobicContact SD-CG2 4.35Å
306A87.1Confident78.2Confident1 Ų173.6 Ų73.61%0.00839%0.393CS..Hα-helixtrans-65.8-38.5177.800000111.6I302 A303 K304 V309 K310 I318 I321 L325I302-A306 VanDerWaalsContact O-CB 3.24Å; I302-A306 WeakPolarHBondContact O-CB 3.44Å; I302-A306 PolarHBondContact O-N 2.9Å; A303-A306 PolarHBondContact O-N 3.33Å; K304-A306 VanDerWaalsContact C-N 3.29Å; K304-A306 PolarHBondContact O-N 3.27Å; A306-V309 PolarHBondContact O-N 3.23Å; A306-K310 VanDerWaalsContact O-CB 3.29Å; A306-K310 WeakPolarHBondContact O-CB 3.34Å; A306-K310 PolarHBondContact O-N 3.37Å; A306-I318 HydrophobicContact CB-CD1 3.85Å; A306-I318 HydrophobicContact CB-CG1 4.34Å; A306-I318 WeakPolarHBondContact O-CD1 3.48Å; A306-I321 HydrophobicContact CB-CG2 3.81Å; A306-L325 HydrophobicContact CB-CD1 3.73Å; A306-L325 VanDerWaalsContact N-CD1 3.25Å
307Q87.5Confident80.1Confident98 Ų9874.4 Ų74.446%0.45839%0.387SS..Hα-helixtrans-65-40.6174-167.159.446.700111.6A303 K304 M305 V309 K310 D311A303-Q307 PolarHBondContact O-N 2.97Å; K304-Q307 PolarHBondContact O-N 2.86Å; M305-Q307 VanDerWaalsContact C-N 3.34Å; M305-Q307 PolarHBondContact O-N 3.35Å; Q307-V309 PolarHBondContact O-N 3.31Å; Q307-K310 WeakPolarHBondContact O-CB 3.18Å; Q307-K310 PolarHBondContact O-N 2.95Å; Q307-K310 VanDerWaalsContact O-N 3.12Å; Q307-D311 PolarHBondContact NE2-OD1 2.89Å; Q307-D311 PolarHBondContact O-N 3.39Å
308Q85.8Confident81.5Confident109 Ų10974.1 Ų74.151%0.50938%0.379SS..Hα-helixtrans-61.5-42.1175.7-70.3174.9-25.900112.6K304 M305 K310 V312 V331K304-Q308 WeakPolarHBondContact O-CG 3.45Å; K304-Q308 PolarHBondContact O-N 3.49Å; K304-Q308 VanDerWaalsContact O-N 3.12Å; M305-Q308 WeakPolarHBondContact O-CB 3.38Å; M305-Q308 PolarHBondContact O-N 3.25Å; Q308-K310 VanDerWaalsContact C-N 3.33Å; Q308-V312 PolarHBondContact O-N 3.4Å; Q308-V331 HydrophobicContact CB-CG1 4.47Å
309V84.5Confident82.5Confident0 Ų074.4 Ų74.40%039%0.386CS..Hα-helixtrans-66.7-37.1174177.30000110.9M305 A306 Q307 D311 V312 L313 I321 L325 V331 T334 I335 L338M305-V309 WeakPolarHBondContact O-CG2 3.41Å; M305-V309 PolarHBondContact O-N 3Å; A306-V309 PolarHBondContact O-N 3.23Å; Q307-V309 PolarHBondContact O-N 3.31Å; V309-D311 VanDerWaalsContact C-N 3.34Å; V309-D311 PolarHBondContact O-N 2.84Å; V309-V312 PolarHBondContact O-N 2.96Å; V309-L313 HydrophobicContact CG1-CD1 4.39Å; V309-L313 PolarHBondContact O-N 2.97Å; V309-I321 HydrophobicContact CB-CD1 4.35Å; V309-I321 HydrophobicContact CB-CG2 3.59Å; V309-I321 HydrophobicContact CG1-CB 4.45Å; V309-I321 HydrophobicContact CG1-CD1 3.91Å; V309-I321 HydrophobicContact CG1-CG1 3.92Å; V309-I321 HydrophobicContact CG1-CG2 3.72Å; V309-I321 HydrophobicContact CG2-CG2 4.1Å; V309-L325 HydrophobicContact CG2-CD1 4.37Å; V309-V331 HydrophobicContact CG2-CB 4.27Å; V309-V331 HydrophobicContact CG2-CG1 3.74Å; V309-V331 HydrophobicContact CG2-CG2 4.37Å; V309-T334 HydrophobicContact CG1-CG2 4.32Å; V309-T334 HydrophobicContact CG2-CG2 4.32Å; V309-I335 HydrophobicContact CB-CG1 4.4Å; V309-I335 HydrophobicContact CG1-CG1 3.88Å; V309-I335 HydrophobicContact CG2-CG1 4.13Å; V309-L338 HydrophobicContact CG1-CD1 3.98Å
310K86.5Confident83.1Confident56 Ų5672.1 Ų72.124%0.24338%0.376CS..Hα-helixtrans-65.6-35.3179.2-176.259167.5172.90112.7A306 Q307 Q308 V312 L313 P314 V316 I318 I321A306-K310 VanDerWaalsContact O-CB 3.29Å; A306-K310 WeakPolarHBondContact O-CB 3.34Å; A306-K310 PolarHBondContact O-N 3.37Å; Q307-K310 WeakPolarHBondContact O-CB 3.18Å; Q307-K310 PolarHBondContact O-N 2.95Å; Q307-K310 VanDerWaalsContact O-N 3.12Å; Q308-K310 VanDerWaalsContact C-N 3.33Å; K310-V312 VanDerWaalsContact C-N 3.28Å; K310-V312 PolarHBondContact O-N 3.3Å; K310-L313 CarbonylContact O-C 3.53Å; K310-L313 VanDerWaalsContact O-C 3.32Å; K310-P314 PolarHBondContact NZ-O 3.38Å; K310-P314 VanDerWaalsContact O-CA 3.31Å; K310-P314 WeakPolarHBondContact O-CA 3.37Å; K310-V316 WeakPolarHBondContact CD-O 3.5Å; K310-V316 PolarHBondContact NZ-O 3.1Å; K310-I318 HydrophobicContact CB-CD1 3.8Å; K310-I318 HydrophobicContact CG-CD1 4.11Å; K310-I321 HydrophobicContact CB-CD1 4.07Å; K310-I321 HydrophobicContact CD-CD1 4.15Å
311D84.6Confident83.6Confident114 Ų11465.8 Ų65.861%0.6135%0.346SS*.Hα-helixtrans-67.4-31.2176.3-63.7-14.7000111.4Q307 V309Q307-D311 PolarHBondContact NE2-OD1 2.89Å; Q307-D311 PolarHBondContact O-N 3.39Å; V309-D311 VanDerWaalsContact C-N 3.34Å; V309-D311 PolarHBondContact O-N 2.84Å
312V84.1Confident83.8Confident89 Ų8962.9 Ų62.954%0.53934%0.341SS..Hα-helixtrans-85.4-36.2177.2-1780000112.2Q308 V309 K310 P314 I335Q308-V312 PolarHBondContact O-N 3.4Å; V309-V312 PolarHBondContact O-N 2.96Å; K310-V312 VanDerWaalsContact C-N 3.28Å; K310-V312 PolarHBondContact O-N 3.3Å; V312-P314 VanDerWaalsContact C-CD 3.49Å; V312-P314 WeakPolarHBondContact O-CD 3.44Å; V312-I335 HydrophobicContact CB-CD1 4.32Å; V312-I335 HydrophobicContact CG1-CD1 4.26Å; V312-I335 HydrophobicContact CG2-CD1 4.41Å
313L80.9Confident83.8Confident20 Ų2068.8 Ų68.811%0.10536%0.362CS..  trans-120.872.8-179.2-63178.5000111V309 K310 H315 V316 I335 L338 L339V309-L313 HydrophobicContact CG1-CD1 4.39Å; V309-L313 PolarHBondContact O-N 2.97Å; K310-L313 CarbonylContact O-C 3.53Å; K310-L313 VanDerWaalsContact O-C 3.32Å; L313-H315 PolarHBondContact O-N 2.88Å; L313-H315 VanDerWaalsContact O-N 3.1Å; L313-V316 HydrophobicContact CB-CB 4.46Å; L313-V316 HydrophobicContact CB-CG2 4Å; L313-V316 HydrophobicContact CD1-CG2 4.43Å; L313-V316 PolarHBondContact O-N 3.41Å; L313-V316 VanDerWaalsContact O-N 3.15Å; L313-I335 HydrophobicContact CD1-CG1 4.44Å; L313-I335 HydrophobicContact CD1-CG2 4.25Å; L313-L338 HydrophobicContact CD1-CB 4.05Å; L313-L338 HydrophobicContact CD1-CD1 4.25Å; L313-L339 HydrophobicContact CD1-CG 4.47Å; L313-L339 HydrophobicContact CD2-CD2 3.89Å; L313-L339 HydrophobicContact CD2-CG 4.37Å
314P81.1Confident83.6Confident74 Ų7467.6 Ų67.648%0.48135%0.348SS..THydrogen-bonded Turntrans-63.2-24.4-17223.1-33.7000113.6K310 V312K310-P314 PolarHBondContact NZ-O 3.38Å; K310-P314 VanDerWaalsContact O-CA 3.31Å; K310-P314 WeakPolarHBondContact O-CA 3.37Å; V312-P314 VanDerWaalsContact C-CD 3.49Å; V312-P314 WeakPolarHBondContact O-CD 3.44Å
315H74.2Confident83.6Confident168 Ų16860.8 Ų60.878%0.77832%0.319SS*.THydrogen-bonded Turntrans-82-10.1-178.4-56.6-66.4000114.5L313L313-H315 PolarHBondContact O-N 2.88Å; L313-H315 VanDerWaalsContact O-N 3.1Å
316V81Confident83.5Confident20 Ų2062.9 Ų62.912%0.12134%0.34CS..SBendtrans-90.6131-179.3-1760000110.4K310 L313 V320 I321 L338K310-V316 WeakPolarHBondContact CD-O 3.5Å; K310-V316 PolarHBondContact NZ-O 3.1Å; L313-V316 HydrophobicContact CB-CB 4.46Å; L313-V316 HydrophobicContact CB-CG2 4Å; L313-V316 HydrophobicContact CD1-CG2 4.43Å; L313-V316 PolarHBondContact O-N 3.41Å; L313-V316 VanDerWaalsContact O-N 3.15Å; V316-V320 HydrophobicContact CG1-CB 4.18Å; V316-V320 HydrophobicContact CG1-CG1 4.41Å; V316-I321 HydrophobicContact CB-CD1 4.23Å; V316-I321 HydrophobicContact CB-CG1 4.32Å; V316-I321 HydrophobicContact CG1-CD1 4.26Å; V316-I321 HydrophobicContact CG1-CG1 3.83Å; V316-L338 HydrophobicContact CG1-CD1 4.25Å; V316-L338 HydrophobicContact CG1-CD2 4.25Å
317P83.8Confident83.1Confident72 Ų7270.8 Ų70.847%0.46837%0.374SS..  trans-61.7138.3176.4-22.533000112.2S319 V320 I321P317-S319 PolarHBondContact O-N 3.28Å; P317-S319 VanDerWaalsContact O-N 3.13Å; P317-V320 HydrophobicContact CB-CG2 4.25Å; P317-V320 HydrophobicContact CG-CG2 4.41Å; P317-V320 PolarHBondContact O-N 3.17Å; P317-I321 PolarHBondContact O-N 3.32Å
318I83.9Confident82.9Confident75 Ų7567.9 Ų67.939%0.38536%0.363SS..Hα-helixtrans-58.6-31-177.9-16071.9000112.1A306 K310 V320 I321 T322A306-I318 HydrophobicContact CB-CD1 3.85Å; A306-I318 HydrophobicContact CB-CG1 4.34Å; A306-I318 WeakPolarHBondContact O-CD1 3.48Å; K310-I318 HydrophobicContact CB-CD1 3.8Å; K310-I318 HydrophobicContact CG-CD1 4.11Å; I318-V320 VanDerWaalsContact C-N 3.3Å; I318-V320 PolarHBondContact O-N 3.25Å; I318-I321 HydrophobicContact CD1-CD1 4.39Å; I318-I321 PolarHBondContact O-N 2.98Å; I318-T322 WeakPolarHBondContact O-CB 3.41Å; I318-T322 PolarHBondContact O-N 3.47Å; I318-T322 PolarHBondContact O-OG1 3.24Å
319S79.9Confident82.6Confident70 Ų7066.4 Ų66.449%0.4936%0.358SS..Hα-helixtrans-65.1-30.1177.756.90000113.6P317 R323P317-S319 PolarHBondContact O-N 3.28Å; P317-S319 VanDerWaalsContact O-N 3.13Å; S319-R323 WeakPolarHBondContact O-CB 3.37Å; S319-R323 PolarHBondContact O-N 2.92Å
320V82.2Confident82.6Confident53 Ų5368.5 Ų68.532%0.32137%0.373SS..Hα-helixtrans-77.3-42.3176.2-177.10000109.8V316 P317 I318 R323 D324 L338V316-V320 HydrophobicContact CG1-CB 4.18Å; V316-V320 HydrophobicContact CG1-CG1 4.41Å; P317-V320 HydrophobicContact CB-CG2 4.25Å; P317-V320 HydrophobicContact CG-CG2 4.41Å; P317-V320 PolarHBondContact O-N 3.17Å; I318-V320 VanDerWaalsContact C-N 3.3Å; I318-V320 PolarHBondContact O-N 3.25Å; V320-R323 PolarHBondContact O-N 3.43Å; V320-D324 PolarHBondContact O-N 3.23Å; V320-L338 HydrophobicContact CG1-CD2 3.74Å
321I85.8Confident82.4Confident0 Ų067 Ų670%037%0.369CS..Hα-helixtrans-59.9-50176-64.3170.3000110.9A306 V309 K310 V316 P317 I318 R323 D324 L325 L338A306-I321 HydrophobicContact CB-CG2 3.81Å; V309-I321 HydrophobicContact CB-CD1 4.35Å; V309-I321 HydrophobicContact CB-CG2 3.59Å; V309-I321 HydrophobicContact CG1-CB 4.45Å; V309-I321 HydrophobicContact CG1-CD1 3.91Å; V309-I321 HydrophobicContact CG1-CG1 3.92Å; V309-I321 HydrophobicContact CG1-CG2 3.72Å; V309-I321 HydrophobicContact CG2-CG2 4.1Å; K310-I321 HydrophobicContact CB-CD1 4.07Å; K310-I321 HydrophobicContact CD-CD1 4.15Å; V316-I321 HydrophobicContact CB-CD1 4.23Å; V316-I321 HydrophobicContact CB-CG1 4.32Å; V316-I321 HydrophobicContact CG1-CD1 4.26Å; V316-I321 HydrophobicContact CG1-CG1 3.83Å; P317-I321 PolarHBondContact O-N 3.32Å; I318-I321 HydrophobicContact CD1-CD1 4.39Å; I318-I321 PolarHBondContact O-N 2.98Å; I321-R323 VanDerWaalsContact C-N 3.3Å; I321-R323 PolarHBondContact O-N 3.05Å; I321-D324 PolarHBondContact O-N 2.95Å; I321-L325 HydrophobicContact CG2-CD1 3.73Å; I321-L325 HydrophobicContact CG2-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.47Å; I321-L325 WeakPolarHBondContact O-CG 3.24Å; I321-L325 PolarHBondContact O-N 3.42Å; I321-L338 HydrophobicContact CG1-CD1 3.83Å
322T86.9Confident82Confident54 Ų5467.2 Ų67.233%0.33137%0.369SS..Hα-helixtrans-62.1-37.6179.4-58.10000111.8I302 I318 A326I302-T322 HydrophobicContact CG2-CG2 3.84Å; I318-T322 WeakPolarHBondContact O-CB 3.41Å; I318-T322 PolarHBondContact O-N 3.47Å; I318-T322 PolarHBondContact O-OG1 3.24Å; T322-A326 WeakPolarHBondContact O-CB 3.45Å; T322-A326 PolarHBondContact O-N 2.86Å
323R83.3Confident81.8Confident150 Ų15066 Ų6657%0.56636%0.362SS*.Hα-helixtrans-66.9-38.4177.5-173.4-174.9-60.9120.80112.3S319 V320 I321S319-R323 WeakPolarHBondContact O-CB 3.37Å; S319-R323 PolarHBondContact O-N 2.92Å; V320-R323 PolarHBondContact O-N 3.43Å; I321-R323 VanDerWaalsContact C-N 3.3Å; I321-R323 PolarHBondContact O-N 3.05Å
324D81.9Confident82Confident29 Ų2965 Ų6516%0.15536%0.357CS..Hα-helixtrans-75.4-41177.8-153.870.9000111.2V320 I321 A326 K327 T328 T334 N337V320-D324 PolarHBondContact O-N 3.23Å; I321-D324 PolarHBondContact O-N 2.95Å; D324-A326 VanDerWaalsContact C-N 3.27Å; D324-A326 PolarHBondContact O-N 3.48Å; D324-K327 WeakPolarHBondContact O-CA 3.43Å; D324-K327 WeakPolarHBondContact O-CB 3.42Å; D324-K327 PolarHBondContact O-N 2.87Å; D324-T328 PolarHBondContact O-N 2.91Å; D324-T328 PolarHBondContact O-OG1 3.45Å; D324-T328 WeakPolarHBondContact OD2-CG2 3.25Å; D324-T334 HydrophobicContact CB-CG2 3.85Å; D324-N337 PolarHBondContact OD2-ND2 3.06Å; D324-N337 VanDerWaalsContact OD2-ND2 3.09Å
325L86.4Confident82Confident0 Ų062.8 Ų62.80%034%0.341CS..Hα-helixtrans-61-32.6173.2-80.6167.9000113.4I302 M305 A306 V309 I321 K327 N329 T334I302-L325 HydrophobicContact CG2-CB 3.99Å; M305-L325 HydrophobicContact CB-CD1 3.82Å; M305-L325 HydrophobicContact CB-CD2 3.98Å; A306-L325 HydrophobicContact CB-CD1 3.73Å; A306-L325 VanDerWaalsContact N-CD1 3.25Å; V309-L325 HydrophobicContact CG2-CD1 4.37Å; I321-L325 HydrophobicContact CG2-CD1 3.73Å; I321-L325 HydrophobicContact CG2-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.47Å; I321-L325 WeakPolarHBondContact O-CG 3.24Å; I321-L325 PolarHBondContact O-N 3.42Å; L325-K327 PolarHBondContact O-N 2.93Å; L325-N329 VanDerWaalsContact O-CA 3.28Å; L325-N329 WeakPolarHBondContact O-CA 3.37Å; L325-N329 PolarHBondContact O-N 2.94Å; L325-T334 VanDerWaalsContact CD2-OG1 3.25Å; L325-T334 WeakPolarHBondContact CD2-OG1 3.39Å; L325-T334 HydrophobicContact CG-CG2 4.11Å
326A82.9Confident82.3Confident69 Ų6957 Ų5757%0.5732%0.317SS*.Hα-helixtrans-62.7-21.4173.200000112.6T322 D324T322-A326 WeakPolarHBondContact O-CB 3.45Å; T322-A326 PolarHBondContact O-N 2.86Å; D324-A326 VanDerWaalsContact C-N 3.27Å; D324-A326 PolarHBondContact O-N 3.48Å
327K78.9Confident82.2Confident166 Ų16658.4 Ų58.472%0.72232%0.324SS*.Hα-helixtrans-98.7-44.4177.4-61.1178.4-178.2-179.60112.6D324 L325D324-K327 WeakPolarHBondContact O-CA 3.43Å; D324-K327 WeakPolarHBondContact O-CB 3.42Å; D324-K327 PolarHBondContact O-N 2.87Å; L325-K327 PolarHBondContact O-N 2.93Å
328T82.4Confident82.3Confident37 Ų3755.8 Ų55.823%0.22731%0.306CS..Hα-helixtrans-87.5-26.8-17362.60000113D324 C330 T333 T334 N337D324-T328 PolarHBondContact O-N 2.91Å; D324-T328 PolarHBondContact O-OG1 3.45Å; D324-T328 WeakPolarHBondContact OD2-CG2 3.25Å; T328-C330 PolarHBondContact O-N 3.03Å; T328-C330 PolarHBondContact OG1-O 2.87Å; T328-T333 HydrophobicContact CG2-CG2 3.91Å; T328-T334 PolarHBondContact OG1-OG1 3.24Å; T328-N337 WeakPolarHBondContact CG2-ND2 3.48Å
329N80.2Confident82Confident78 Ų7855.6 Ų55.642%0.41731%0.306SS..  trans47.929-173.1-151.5-2.1000113.6R301 M305 L325R301-N329 PolarHBondContact NH2-ND2 3.45Å; M305-N329 WeakPolarHBondContact CE-OD1 3.4Å; L325-N329 VanDerWaalsContact O-CA 3.28Å; L325-N329 WeakPolarHBondContact O-CA 3.37Å; L325-N329 PolarHBondContact O-N 2.94Å
330C83.1Confident81.6Confident44 Ų4456.9 Ų56.930%0.29730%0.304SS..  trans-149.1128.8-173.2-177.60000110.7T328 T333 T334T328-C330 PolarHBondContact O-N 3.03Å; T328-C330 PolarHBondContact OG1-O 2.87Å; C330-T333 PolarHBondContact SG-OG1 3.33Å; C330-T334 WeakPolarHBondContact O-CB 3.24Å; C330-T334 PolarHBondContact O-N 2.84Å; C330-T334 VanDerWaalsContact O-N 3.12Å; C330-T334 PolarHBondContact O-OG1 3.12Å
331V82.8Confident80.7Confident26 Ų2659.1 Ų59.116%0.15831%0.314CS..Hα-helixtrans-64.8-48.1-178.3171.20000111.1M305 Q308 V309 T333 T334 I335M305-V331 HydrophobicContact CB-CG2 3.72Å; M305-V331 HydrophobicContact CG-CG2 3.84Å; M305-V331 HydrophobicContact SD-CG2 4.35Å; Q308-V331 HydrophobicContact CB-CG1 4.47Å; V309-V331 HydrophobicContact CG2-CB 4.27Å; V309-V331 HydrophobicContact CG2-CG1 3.74Å; V309-V331 HydrophobicContact CG2-CG2 4.37Å; V331-T333 PolarHBondContact O-N 3.05Å; V331-T334 PolarHBondContact O-N 3.44Å; V331-I335 HydrophobicContact CG1-CD1 3.82Å; V331-I335 WeakPolarHBondContact O-CG1 3.44Å; V331-I335 PolarHBondContact O-N 2.77Å
332D75.9Confident79.3Confident117 Ų11766.2 Ų66.263%0.62634%0.341SS*.Hα-helixtrans-67.2-39.8-176-59.9-78.8000112.8T334 I335 T336D332-T334 VanDerWaalsContact C-N 3.34Å; D332-I335 PolarHBondContact O-N 3.35Å; D332-T336 WeakPolarHBondContact O-CB 3.48Å; D332-T336 PolarHBondContact O-N 3.46Å; D332-T336 PolarHBondContact O-OG1 3.31Å
333T80.1Confident77.4Confident63 Ų6370 Ų7039%0.38736%0.355SS..Hα-helixtrans-65.7-40175.1-49.80000110.8T328 C330 V331 T336 N337T328-T333 HydrophobicContact CG2-CG2 3.91Å; C330-T333 PolarHBondContact SG-OG1 3.33Å; V331-T333 PolarHBondContact O-N 3.05Å; T333-T336 PolarHBondContact O-N 3.46Å; T333-N337 VanDerWaalsContact O-CG 3.23Å; T333-N337 PolarHBondContact O-N 3.32Å; T333-N337 PolarHBondContact O-OD1 2.94Å
334T84.5Confident75.4Confident0 Ų070 Ų700%036%0.361CS..Hα-helixtrans-64.9-44.8176.8-56.90000111.9V309 D324 L325 T328 C330 V331 D332 T336 N337 L338V309-T334 HydrophobicContact CG1-CG2 4.32Å; V309-T334 HydrophobicContact CG2-CG2 4.32Å; D324-T334 HydrophobicContact CB-CG2 3.85Å; L325-T334 VanDerWaalsContact CD2-OG1 3.25Å; L325-T334 WeakPolarHBondContact CD2-OG1 3.39Å; L325-T334 HydrophobicContact CG-CG2 4.11Å; T328-T334 PolarHBondContact OG1-OG1 3.24Å; C330-T334 WeakPolarHBondContact O-CB 3.24Å; C330-T334 PolarHBondContact O-N 2.84Å; C330-T334 VanDerWaalsContact O-N 3.12Å; C330-T334 PolarHBondContact O-OG1 3.12Å; V331-T334 PolarHBondContact O-N 3.44Å; D332-T334 VanDerWaalsContact C-N 3.34Å; T334-T336 VanDerWaalsContact C-N 3.25Å; T334-T336 PolarHBondContact O-N 3.5Å; T334-N337 PolarHBondContact O-N 3.5Å; T334-L338 HydrophobicContact CG2-CD1 3.63Å; T334-L338 HydrophobicContact CG2-CG 4.16Å; T334-L338 WeakPolarHBondContact O-CB 3.42Å; T334-L338 WeakPolarHBondContact O-CG 3.22Å; T334-L338 PolarHBondContact O-N 2.85Å
335I81.4Confident73.4Confident27 Ų2772.3 Ų72.314%0.13839%0.385CS..Hα-helixtrans-58.9-42.5176.1-70.2165.3000110.2V309 V312 L313 V331 D332 L338 L339V309-I335 HydrophobicContact CB-CG1 4.4Å; V309-I335 HydrophobicContact CG1-CG1 3.88Å; V309-I335 HydrophobicContact CG2-CG1 4.13Å; V312-I335 HydrophobicContact CB-CD1 4.32Å; V312-I335 HydrophobicContact CG1-CD1 4.26Å; V312-I335 HydrophobicContact CG2-CD1 4.41Å; L313-I335 HydrophobicContact CD1-CG1 4.44Å; L313-I335 HydrophobicContact CD1-CG2 4.25Å; V331-I335 HydrophobicContact CG1-CD1 3.82Å; V331-I335 WeakPolarHBondContact O-CG1 3.44Å; V331-I335 PolarHBondContact O-N 2.77Å; D332-I335 PolarHBondContact O-N 3.35Å; I335-L338 PolarHBondContact O-N 3.03Å; I335-L339 HydrophobicContact CG2-CD1 3.81Å; I335-L339 WeakPolarHBondContact O-CB 3.23Å; I335-L339 VanDerWaalsContact O-CG 3.23Å; I335-L339 WeakPolarHBondContact O-CG 3.37Å; I335-L339 PolarHBondContact O-N 3.48Å
336T80.4Confident71.1Confident47 Ų4776.4 Ų76.429%0.28841%0.413SS..Hα-helixtrans-64.5-50.7179.5-53.60000111.4D332 T333 T334 L338 L339 E340D332-T336 WeakPolarHBondContact O-CB 3.48Å; D332-T336 PolarHBondContact O-N 3.46Å; D332-T336 PolarHBondContact O-OG1 3.31Å; T333-T336 PolarHBondContact O-N 3.46Å; T334-T336 VanDerWaalsContact C-N 3.25Å; T334-T336 PolarHBondContact O-N 3.5Å; T336-L338 VanDerWaalsContact C-N 3.29Å; T336-L338 PolarHBondContact O-N 3.12Å; T336-L339 PolarHBondContact O-N 3.45Å; T336-L339 VanDerWaalsContact O-N 3.13Å; T336-E340 HydrophobicContact CG2-CG 4.44Å; T336-E340 WeakPolarHBondContact O-CG 3.5Å; T336-E340 PolarHBondContact O-N 2.93Å
337N80.3Confident68.8Low50 Ų5081.3 Ų81.327%0.26743%0.426SS..Hα-helixtrans-59.3-39.9178.4-69.7-9.1000112.5D324 T328 T333 T334 L339 N341D324-N337 PolarHBondContact OD2-ND2 3.06Å; D324-N337 VanDerWaalsContact OD2-ND2 3.09Å; T328-N337 WeakPolarHBondContact CG2-ND2 3.48Å; T333-N337 VanDerWaalsContact O-CG 3.23Å; T333-N337 PolarHBondContact O-N 3.32Å; T333-N337 PolarHBondContact O-OD1 2.94Å; T334-N337 PolarHBondContact O-N 3.5Å; N337-L339 VanDerWaalsContact C-N 3.33Å; N337-N341 WeakPolarHBondContact O-CB 3.41Å; N337-N341 PolarHBondContact O-N 3.02Å
338L84.3Confident66.7Low17 Ų1782.6 Ų82.69%0.08944%0.435CS..Hα-helixtrans-71.9-27.6179.8-69.6172.5000112.7V309 L313 V316 V320 I321 T334 I335 T336 R342V309-L338 HydrophobicContact CG1-CD1 3.98Å; L313-L338 HydrophobicContact CD1-CB 4.05Å; L313-L338 HydrophobicContact CD1-CD1 4.25Å; V316-L338 HydrophobicContact CG1-CD1 4.25Å; V316-L338 HydrophobicContact CG1-CD2 4.25Å; V320-L338 HydrophobicContact CG1-CD2 3.74Å; I321-L338 HydrophobicContact CG1-CD1 3.83Å; T334-L338 HydrophobicContact CG2-CD1 3.63Å; T334-L338 HydrophobicContact CG2-CG 4.16Å; T334-L338 WeakPolarHBondContact O-CB 3.42Å; T334-L338 WeakPolarHBondContact O-CG 3.22Å; T334-L338 PolarHBondContact O-N 2.85Å; I335-L338 PolarHBondContact O-N 3.03Å; T336-L338 VanDerWaalsContact C-N 3.29Å; T336-L338 PolarHBondContact O-N 3.12Å; L338-R342 WeakPolarHBondContact O-CB 3.28Å
339L77.4Confident64.2Low71 Ų7184.2 Ų84.237%0.37245%0.452SS..Hα-helixtrans-78.7-43.5174-72.6170.3000111.1L313 I335 T336 N337 R342 E343L313-L339 HydrophobicContact CD1-CG 4.47Å; L313-L339 HydrophobicContact CD2-CD2 3.89Å; L313-L339 HydrophobicContact CD2-CG 4.37Å; I335-L339 HydrophobicContact CG2-CD1 3.81Å; I335-L339 WeakPolarHBondContact O-CB 3.23Å; I335-L339 VanDerWaalsContact O-CG 3.23Å; I335-L339 WeakPolarHBondContact O-CG 3.37Å; I335-L339 PolarHBondContact O-N 3.48Å; T336-L339 PolarHBondContact O-N 3.45Å; T336-L339 VanDerWaalsContact O-N 3.13Å; N337-L339 VanDerWaalsContact C-N 3.33Å; L339-R342 WeakPolarHBondContact O-CB 3.48Å; L339-R342 PolarHBondContact O-N 3.34Å; L339-E343 PolarHBondContact O-N 3.31Å
340E73.2Confident61.7Low96 Ų9686.2 Ų86.245%0.44947%0.467SS..Hα-helixtrans-65.2-44.1178.3-72.2179.3173.100111.8T336 R342 E343 E344T336-E340 HydrophobicContact CG2-CG 4.44Å; T336-E340 WeakPolarHBondContact O-CG 3.5Å; T336-E340 PolarHBondContact O-N 2.93Å; E340-R342 PolarHBondContact O-N 3.23Å; E340-E343 PolarHBondContact O-N 2.95Å; E340-E343 VanDerWaalsContact O-N 3.13Å; E340-E344 PolarHBondContact O-N 2.93Å
341N62.5Low59.2Low101 Ų10193 Ų9354%0.5450%0.495SS..Hα-helixtrans-64.4-24.4174.2-99.8-29.6000113.4N337 A345N337-N341 WeakPolarHBondContact O-CB 3.41Å; N337-N341 PolarHBondContact O-N 3.02Å; N341-A345 PolarHBondContact O-N 3.48Å
342R57Low56.6Low149 Ų14997.7 Ų97.756%0.56252%0.523SS*.Hα-helixtrans-79.1-27.6177.5-154.4-179.6114-172.93.6111.7L338 L339 E340 S346L338-R342 WeakPolarHBondContact O-CB 3.28Å; L339-R342 WeakPolarHBondContact O-CB 3.48Å; L339-R342 PolarHBondContact O-N 3.34Å; E340-R342 PolarHBondContact O-N 3.23Å; R342-S346 WeakPolarHBondContact O-CB 3.25Å; R342-S346 PolarHBondContact O-N 3.26Å
343E46.6Very low54.3Low134 Ų13497.5 Ų97.563%0.62653%0.531SS*.Hα-helixtrans-73.8-35.1173.8-71.4178.9176.100111.1L339 E340 S346 M347L339-E343 PolarHBondContact O-N 3.31Å; E340-E343 PolarHBondContact O-N 2.95Å; E340-E343 VanDerWaalsContact O-N 3.13Å; E343-S346 PolarHBondContact O-N 3Å; E343-M347 PolarHBondContact O-N 3.31Å
344E41.8Very low51.7Low148 Ų14898 Ų9869%0.69254%0.542SS*.Hα-helixtrans-66.9-38.1171.6-69.2-174172.300112.5E340 S346E340-E344 PolarHBondContact O-N 2.93Å; E344-S346 VanDerWaalsContact C-N 3.27Å; E344-S346 PolarHBondContact O-N 2.96Å
345A39.5Very low49Very low79 Ų79109.5 Ų109.565%0.65359%0.587SS**THydrogen-bonded Turntrans-73.2-15.6174.800000114.1N341N341-A345 PolarHBondContact O-N 3.48Å
346S37.7Very low46.4Very low85 Ų85111.7 Ų111.759%0.59462%0.616SS**THydrogen-bonded Turntrans-96-5.9-179.6-176.10000113.4R342 E343 E344R342-S346 WeakPolarHBondContact O-CB 3.25Å; R342-S346 PolarHBondContact O-N 3.26Å; E343-S346 PolarHBondContact O-N 3Å; E344-S346 VanDerWaalsContact C-N 3.27Å; E344-S346 PolarHBondContact O-N 2.96Å
347M35.8Very low44Very low172 Ų172114.5 Ų114.585%0.84764%0.644SS**SBendtrans-89.8-2.9179.3-80.8-172162.800114.5E343E343-M347 PolarHBondContact O-N 3.31Å
348E34.1Very low41.5Very low194 Ų194118 Ų11891%0.90767%0.673SS**SBendtrans-108.67176.3-99.1-173.5166.200115
349A30.1Very low39Very low71 Ų71128.6 Ų128.659%0.58771%0.712SS**SBendtrans-126.1104.2178.500000112.9
350T28.2Very low36.7Very low119 Ų119133.3 Ų133.373%0.7374%0.735SS**  trans95.385.6143-44.30000117.4T352T350-T352 PolarHBondContact O-N 3.39Å
351E29.1Very low34.6Very low188 Ų188134 Ų13488%0.87975%0.751SS**  -41.8114125.5-67.6-179.3150.400110.1
352T28.7Very low33Very low123 Ų123133.5 Ų133.576%0.75576%0.755SS**  159.8121.813033.40000112.5T350T350-T352 PolarHBondContact O-N 3.39Å
353S26.9Very low31.6Very low113 Ų113135.5 Ų135.579%0.7977%0.768SS**  trans63.9102.1138.4-1460000121.4
354A27Very low31.6Very low74 Ų74134.4 Ų134.461%0.61277%0.773SS**  51.1118.1119.300000121
355Y27.6Very low30.9Very low241 Ų241133.3 Ų133.395%0.94578%0.782SS**  167.3145.598.8-106.3-88.2000111.1
356G27.5Very low30.3Very low74 Ų74133.5 Ų133.576%0.76379%0.791SS**  trans11277.9147.900000117.6
357A28.9Very low30.1Very low105 Ų105135.1 Ų135.187%0.86880%0.802SS**  trans-75.6145.516100000111.1
358S28.1Very low29.8Very low125 Ų125132.1 Ų132.187%0.87480%0.798SS**  trans-141.9126.2152.1-1550000111.3
359R31.5Very low30Very low239 Ų239129.3 Ų129.390%0.90280%0.797SS**  trans-85.4143.8-178.7-72175.4167.5175.6-3.6110.1
360I28.7Very low30.4Very low169 Ų169129.6 Ų129.687%0.86780%0.799SS**  trans-132.3141.6148.9-61.7-177.4000109.7
361S28.5Very low31.2Very low112 Ų112131.8 Ų131.878%0.78381%0.805SS**  trans-67.9149.4-158.447.30000118.6
362S28.9Very low32.1Very low89 Ų89130.8 Ų130.862%0.62280%0.798SS**  trans-91.6152.5160.550.50000112.3
363F28.2Very low32.9Very low192 Ų192130.1 Ų130.184%0.84280%0.795SS**  trans152.6163.1136.4-77.9-58.1000111.1
364P46.6Very low34Very low110 Ų110128.1 Ų128.171%0.71479%0.785SS**  -131.8178.5-75.832.4-11000112.4
365S26.6Very low35Very low126 Ų126126.9 Ų126.988%0.88178%0.775SS**  trans152.7144138.1-72.20000114.1
366G28Very low36.4Very low82 Ų82125.3 Ų125.385%0.84577%0.774SS**  trans118.497.9151.300000116.3
367S32.5Very low37.7Very low120 Ų120127.5 Ų127.584%0.83977%0.772SS**  trans-77.3130.5176.637.70000113.8
368S30.9Very low38.9Very low109 Ų109129.4 Ų129.476%0.76276%0.761SS**  trans-164.9139.3149.7-800000108.6A370S368-A370 PolarHBondContact O-N 3.41Å
369P37.9Very low40.3Very low134 Ų134124.6 Ų124.687%0.8773%0.731SS**  trans-79.582.4-168.532.6-33000110.9I371P369-I371 PolarHBondContact O-N 3.3Å
370A37.5Very low41.6Very low78 Ų78124.9 Ų124.965%0.64573%0.732SS**  trans-80.8103.4161.100000108.1S368 K372S368-A370 PolarHBondContact O-N 3.41Å; A370-K372 VanDerWaalsContact C-N 3.28Å; A370-K372 PolarHBondContact O-N 3.04Å
371I45.9Very low42.8Very low165 Ų165118.7 Ų118.785%0.84670%0.704SS**  trans-66.993.7168.1-60.2175.5000106.9P369 P373P369-I371 PolarHBondContact O-N 3.3Å; I371-P373 WeakPolarHBondContact O-CD 3.36Å
372K47.2Very low43.7Very low167 Ų167117.5 Ų117.573%0.72669%0.694SS**  trans-73.5123.2166.7-66.3-179.2-179.4179.80107.3A370 A374A370-K372 VanDerWaalsContact C-N 3.28Å; A370-K372 PolarHBondContact O-N 3.04Å; K372-A374 HydrophobicContact CB-CB 4.19Å; K372-A374 PolarHBondContact O-N 3.44Å
373P45.8Very low44.9Very low108 Ų108116.3 Ų116.370%0.70169%0.689SS**  trans-77.959.8165.133.9-31.6000108.4I371I371-P373 WeakPolarHBondContact O-CD 3.36Å
374A50Low46.4Very low71 Ų71111.5 Ų111.559%0.58767%0.672SS**  trans-98.6120.1171.900000107.5K372 K376K372-A374 HydrophobicContact CB-CB 4.19Å; K372-A374 PolarHBondContact O-N 3.44Å; A374-K376 PolarHBondContact O-N 3.5Å
375A47.6Very low47.3Very low48 Ų48110.5 Ų110.540%0.39765%0.654SS.*  trans-64.5131.7175.600000109.8T377A375-T377 PolarHBondContact O-N 3.47Å
376K57.2Low49.2Very low209 Ų209110.5 Ų110.591%0.90964%0.64SS**SBendtrans-70.2-11176.4-68.4-177.3178.2179.80112.6A374A374-K376 PolarHBondContact O-N 3.5Å
377T55.1Low50.7Low119 Ų119111.8 Ų111.873%0.7363%0.625SS**SBendtrans-155.6139.8178-40.90000110.7A375A375-T377 PolarHBondContact O-N 3.47Å
378F53.9Low52.7Low146 Ų146107.4 Ų107.464%0.6460%0.595SS**  trans-86.9130.4174.7-138.9-102.3000109R385F378-R385 HydrophobicContact CD1-CG 4.21Å; F378-R385 HydrophobicContact CE1-CG 4.17Å
379G58.2Low54.6Low23 Ų23107.1 Ų107.124%0.23758%0.584CS.*  trans-62143.3-178.800000112.1R385G379-R385 WeakPolarHBondContact O-CG 3.45Å; G379-R385 PolarHBondContact O-NE 3.36Å; G379-R385 PolarHBondContact O-NH2 2.93Å
380R58.1Low56.3Low245 Ų245106.2 Ų106.293%0.92557%0.568SS**SBendtrans-76.7-27.4-178.1-75.2-172.5177.4-176.3-1.1113
381S53.6Low58.1Low40 Ų40108.1 Ų108.128%0.2856%0.563SS.*SBendtrans-106.1153.9175.4820000113A383 D384 R385S381-A383 VanDerWaalsContact C-N 3.28Å; S381-A383 PolarHBondContact O-N 2.87Å; S381-D384 WeakPolarHBondContact CB-OD2 3.4Å; S381-D384 PolarHBondContact O-N 2.72Å; S381-D384 PolarHBondContact OG-N 3.17Å; S381-D384 PolarHBondContact OG-OD2 3.06Å; S381-R385 WeakPolarHBondContact O-CG 3.38Å; S381-R385 PolarHBondContact O-N 2.79Å; S381-R385 VanDerWaalsContact O-N 3.1Å
382P48.2Very low59.2Low87 Ų87104.3 Ų104.357%0.56554%0.539SS*.Hα-helixtrans-58.6-36.6174.6-25.634.9000113.7R385 H386P382-R385 PolarHBondContact O-N 3.23Å; P382-H386 WeakPolarHBondContact O-CB 3.39Å; P382-H386 PolarHBondContact O-N 3.25Å
383A54.9Low60.5Low64 Ų64102.7 Ų102.753%0.52953%0.531SS..Hα-helixtrans-63-43.7176.400000111.2S381 R385 H386 M387S381-A383 VanDerWaalsContact C-N 3.28Å; S381-A383 PolarHBondContact O-N 2.87Å; A383-R385 VanDerWaalsContact C-N 3.32Å; A383-R385 PolarHBondContact O-N 2.78Å; A383-H386 PolarHBondContact O-N 3.12Å; A383-M387 WeakPolarHBondContact O-CG 3.35Å; A383-M387 PolarHBondContact O-N 3.45Å
384D58Low62Low90 Ų90103.2 Ų103.248%0.48152%0.524SS..Hα-helixtrans-65.8-36.3178.1-60-36.3000112.1S381 S388S381-D384 WeakPolarHBondContact CB-OD2 3.4Å; S381-D384 PolarHBondContact O-N 2.72Å; S381-D384 PolarHBondContact OG-N 3.17Å; S381-D384 PolarHBondContact OG-OD2 3.06Å; D384-S388 WeakPolarHBondContact O-CB 3.45Å; D384-S388 PolarHBondContact O-N 3.48Å
385R66.6Low63Low89 Ų89102.7 Ų102.734%0.33652%0.52SS..Hα-helixtrans-67.1-41.8175.6-67.2173.5-168.4169.88.7111.2F378 G379 S381 P382 A383 S388 L389F378-R385 HydrophobicContact CD1-CG 4.21Å; F378-R385 HydrophobicContact CE1-CG 4.17Å; G379-R385 WeakPolarHBondContact O-CG 3.45Å; G379-R385 PolarHBondContact O-NE 3.36Å; G379-R385 PolarHBondContact O-NH2 2.93Å; S381-R385 WeakPolarHBondContact O-CG 3.38Å; S381-R385 PolarHBondContact O-N 2.79Å; S381-R385 VanDerWaalsContact O-N 3.1Å; P382-R385 PolarHBondContact O-N 3.23Å; A383-R385 VanDerWaalsContact C-N 3.32Å; A383-R385 PolarHBondContact O-N 2.78Å; R385-S388 PolarHBondContact O-N 3.49Å; R385-L389 WeakPolarHBondContact O-CG 3.44Å; R385-L389 PolarHBondContact O-N 2.96Å
386H67.1Low64.3Low126 Ų126105.7 Ų105.758%0.58353%0.529SS*.Hα-helixtrans-67.2-41.9178.8-156178.3000111.3P382 A383 S388 L389 Q390P382-H386 WeakPolarHBondContact O-CB 3.39Å; P382-H386 PolarHBondContact O-N 3.25Å; A383-H386 PolarHBondContact O-N 3.12Å; H386-S388 PolarHBondContact O-N 2.95Å; H386-L389 PolarHBondContact O-N 3.42Å; H386-Q390 PolarHBondContact O-N 2.92Å
387M59.1Low65.1Low110 Ų110103.4 Ų103.454%0.54252%0.516SS..Hα-helixtrans-63-39.9173-70.7-58.1-66.300112A383 L389 Q390 Q391A383-M387 WeakPolarHBondContact O-CG 3.35Å; A383-M387 PolarHBondContact O-N 3.45Å; M387-L389 VanDerWaalsContact C-N 3.34Å; M387-L389 PolarHBondContact O-N 2.83Å; M387-Q390 PolarHBondContact O-N 3.23Å; M387-Q391 WeakPolarHBondContact O-CB 3.29Å; M387-Q391 VanDerWaalsContact O-CG 3.23Å; M387-Q391 WeakPolarHBondContact O-CG 3.31Å; M387-Q391 PolarHBondContact O-N 3.22Å
388S75Confident66.1Low28 Ų28101.3 Ų101.320%0.19650%0.5CS..Hα-helixtrans-62.9-38.2174.5-172.30000112.5D384 R385 H386 R392D384-S388 WeakPolarHBondContact O-CB 3.45Å; D384-S388 PolarHBondContact O-N 3.48Å; R385-S388 PolarHBondContact O-N 3.49Å; H386-S388 PolarHBondContact O-N 2.95Å; S388-R392 VanDerWaalsContact O-CG 3.24Å; S388-R392 WeakPolarHBondContact O-CG 3.49Å; S388-R392 PolarHBondContact O-N 3.42Å; S388-R392 PolarHBondContact OG-NE 3.1Å; S388-R392 PolarHBondContact OG-NH2 3.27Å
389L70.5Confident67.1Low102 Ų102101 Ų10153%0.53450%0.495SS..Hα-helixtrans-68.9-42.7175.6-74.6173.9000112R385 H386 M387 Q391 R392 K393R385-L389 WeakPolarHBondContact O-CG 3.44Å; R385-L389 PolarHBondContact O-N 2.96Å; H386-L389 PolarHBondContact O-N 3.42Å; M387-L389 VanDerWaalsContact C-N 3.34Å; M387-L389 PolarHBondContact O-N 2.83Å; L389-Q391 VanDerWaalsContact C-N 3.34Å; L389-Q391 PolarHBondContact O-N 3.21Å; L389-R392 PolarHBondContact O-N 3.38Å; L389-K393 PolarHBondContact O-N 2.79Å
390Q73.6Confident68.1Low115 Ų115102.5 Ų102.554%0.53751%0.506SS..Hα-helixtrans-58.4-47.7176-159.5101-8.700110.7H386 M387 R392 K393 E394H386-Q390 PolarHBondContact O-N 2.92Å; M387-Q390 PolarHBondContact O-N 3.23Å; Q390-R392 VanDerWaalsContact C-N 3.35Å; Q390-R392 PolarHBondContact O-N 3.34Å; Q390-K393 WeakPolarHBondContact O-CB 3.35Å; Q390-K393 PolarHBondContact O-N 2.9Å; Q390-E394 PolarHBondContact O-N 3.31Å
391Q75.3Confident69.1Low118 Ų11896.9 Ų96.955%0.55149%0.485SS*.Hα-helixtrans-61.7-39.1176.7-73.1171-9.200112.4M387 L389 E394 A395M387-Q391 WeakPolarHBondContact O-CB 3.29Å; M387-Q391 VanDerWaalsContact O-CG 3.23Å; M387-Q391 WeakPolarHBondContact O-CG 3.31Å; M387-Q391 PolarHBondContact O-N 3.22Å; L389-Q391 VanDerWaalsContact C-N 3.34Å; L389-Q391 PolarHBondContact O-N 3.21Å; Q391-E394 PolarHBondContact O-N 3.4Å; Q391-A395 WeakPolarHBondContact O-CB 3.5Å; Q391-A395 PolarHBondContact O-N 3.37Å
392R67.5Low70.1Confident86 Ų86103.5 Ų103.533%0.32550%0.504SS..Hα-helixtrans-66.7-41.5175.5-74.9176.2-145177.19.2112.2S388 L389 Q390 E394 A395 L396S388-R392 VanDerWaalsContact O-CG 3.24Å; S388-R392 WeakPolarHBondContact O-CG 3.49Å; S388-R392 PolarHBondContact O-N 3.42Å; S388-R392 PolarHBondContact OG-NE 3.1Å; S388-R392 PolarHBondContact OG-NH2 3.27Å; L389-R392 PolarHBondContact O-N 3.38Å; Q390-R392 VanDerWaalsContact C-N 3.35Å; Q390-R392 PolarHBondContact O-N 3.34Å; R392-E394 VanDerWaalsContact C-N 3.32Å; R392-A395 PolarHBondContact O-N 3.31Å; R392-L396 WeakPolarHBondContact O-CB 3.45Å; R392-L396 PolarHBondContact O-N 3.06Å
393K75.9Confident71.6Confident132 Ų132106.7 Ų106.757%0.57450%0.504SS*.Hα-helixtrans-60.4-46.3176.4-175.9179.7177.3-176.10110L389 Q390 L396 Y397L389-K393 PolarHBondContact O-N 2.79Å; Q390-K393 WeakPolarHBondContact O-CB 3.35Å; Q390-K393 PolarHBondContact O-N 2.9Å; K393-L396 WeakPolarHBondContact O-CB 3.41Å; K393-L396 PolarHBondContact O-N 3.09Å; K393-Y397 HydrophobicContact CG-CD2 3.98Å; K393-Y397 HydrophobicContact CG-CE2 4.03Å; K393-Y397 WeakPolarHBondContact O-CD2 3.41Å; K393-Y397 PolarHBondContact O-N 2.88Å
394E77.1Confident72.6Confident119 Ų119110.2 Ų110.256%0.55651%0.505SS*.Hα-helixtrans-64.9-42.8178.5-170.3170.8-163.600112.6Q390 Q391 R392 L396 Y397 N398Q390-E394 PolarHBondContact O-N 3.31Å; Q391-E394 PolarHBondContact O-N 3.4Å; R392-E394 VanDerWaalsContact C-N 3.32Å; E394-L396 VanDerWaalsContact C-N 3.31Å; E394-L396 PolarHBondContact O-N 2.92Å; E394-Y397 PolarHBondContact O-N 2.97Å; E394-N398 WeakPolarHBondContact O-CB 3.46Å; E394-N398 PolarHBondContact O-N 3.25Å; E394-N398 PolarHBondContact O-ND2 3.38Å
395A71.5Confident73.7Confident60 Ų60107.9 Ų107.950%0.49649%0.492SS..Hα-helixtrans-60.9-39.4174.400000112.4Q391 R392 N398 Y399Q391-A395 WeakPolarHBondContact O-CB 3.5Å; Q391-A395 PolarHBondContact O-N 3.37Å; R392-A395 PolarHBondContact O-N 3.31Å; A395-N398 PolarHBondContact O-N 3.06Å; A395-Y399 WeakPolarHBondContact O-CB 3.42Å; A395-Y399 PolarHBondContact O-N 3.33Å
396L74.1Confident74.1Confident112 Ų112111.2 Ų111.259%0.58651%0.511SS*.Hα-helixtrans-66.1-43.5175.8-165.484.7000111.6R392 K393 E394 Y399 A400R392-L396 WeakPolarHBondContact O-CB 3.45Å; R392-L396 PolarHBondContact O-N 3.06Å; K393-L396 WeakPolarHBondContact O-CB 3.41Å; K393-L396 PolarHBondContact O-N 3.09Å; E394-L396 VanDerWaalsContact C-N 3.31Å; E394-L396 PolarHBondContact O-N 2.92Å; L396-Y399 PolarHBondContact O-N 3.3Å; L396-A400 WeakPolarHBondContact O-CB 3.17Å; L396-A400 PolarHBondContact O-N 2.88Å
397Y74.7Confident74.6Confident161 Ų161113.2 Ų113.263%0.63152%0.519SS*.Hα-helixtrans-61-45.2175.7-96.7-78.6000111.6K393 E394 Y399 A400 R401K393-Y397 HydrophobicContact CG-CD2 3.98Å; K393-Y397 HydrophobicContact CG-CE2 4.03Å; K393-Y397 WeakPolarHBondContact O-CD2 3.41Å; K393-Y397 PolarHBondContact O-N 2.88Å; E394-Y397 PolarHBondContact O-N 2.97Å; Y397-Y399 PolarHBondContact O-N 3.49Å; Y397-A400 PolarHBondContact O-N 2.87Å; Y397-R401 WeakPolarHBondContact O-CB 3.35Å; Y397-R401 PolarHBondContact O-N 3.37Å
398N75.1Confident75.5Confident74 Ų74112.8 Ų112.840%0.39652%0.515SS..Hα-helixtrans-65.9-38.4178.2-75.3-28.4000112.4E394 A395 R401 R402E394-N398 WeakPolarHBondContact O-CB 3.46Å; E394-N398 PolarHBondContact O-N 3.25Å; E394-N398 PolarHBondContact O-ND2 3.38Å; A395-N398 PolarHBondContact O-N 3.06Å; N398-R401 PolarHBondContact O-N 3Å; N398-R402 WeakPolarHBondContact O-CG 3.23Å; N398-R402 PolarHBondContact O-N 2.75Å
399Y74.5Confident75.5Confident139 Ų139114.8 Ų114.855%0.54554%0.54SS..Hα-helixtrans-64.5-46.7173.7176.2-97.5000111.9A395 L396 Y397 R401 R402 R403A395-Y399 WeakPolarHBondContact O-CB 3.42Å; A395-Y399 PolarHBondContact O-N 3.33Å; L396-Y399 PolarHBondContact O-N 3.3Å; Y397-Y399 PolarHBondContact O-N 3.49Å; Y399-R401 VanDerWaalsContact C-N 3.29Å; Y399-R401 PolarHBondContact O-N 3.13Å; Y399-R402 PolarHBondContact O-N 2.64Å; Y399-R403 WeakPolarHBondContact O-CB 3.45Å; Y399-R403 PolarHBondContact O-N 3.41Å; Y399-R403 PolarHBondContact OH-NH1 3.43Å
400A78.9Confident75.4Confident55 Ų55114.4 Ų114.446%0.45554%0.538SS..Hα-helixtrans-61.1-40.4176.700000111.5L396 Y397 R403 Y404L396-A400 WeakPolarHBondContact O-CB 3.17Å; L396-A400 PolarHBondContact O-N 2.88Å; Y397-A400 PolarHBondContact O-N 2.87Å; A400-R403 PolarHBondContact O-N 3.3Å; A400-Y404 WeakPolarHBondContact O-CB 3.38Å; A400-Y404 PolarHBondContact O-N 3.35Å
401R79.1Confident75Confident128 Ų128115.6 Ų115.648%0.48355%0.548SS..Hα-helixtrans-63-47.7176.2-170.2177.8-178.1-139.7-1.5111.8Y397 N398 Y399 R403 Y404 I405Y397-R401 WeakPolarHBondContact O-CB 3.35Å; Y397-R401 PolarHBondContact O-N 3.37Å; N398-R401 PolarHBondContact O-N 3Å; Y399-R401 VanDerWaalsContact C-N 3.29Å; Y399-R401 PolarHBondContact O-N 3.13Å; R401-R403 PolarHBondContact O-N 2.76Å; R401-Y404 WeakPolarHBondContact O-CB 3.46Å; R401-Y404 PolarHBondContact O-N 3.15Å; R401-I405 HydrophobicContact CG-CD1 3.98Å; R401-I405 VanDerWaalsContact O-CG1 3.27Å; R401-I405 WeakPolarHBondContact O-CG1 3.5Å; R401-I405 PolarHBondContact O-N 3.1Å
402R76.4Confident74.2Confident179 Ų179115 Ų11568%0.67555%0.554SS**Hα-helixtrans-60.2-44.8176.4-74.1-178.7-166.1-1753.1112.1N398 Y399 Y404 I405 E406N398-R402 WeakPolarHBondContact O-CG 3.23Å; N398-R402 PolarHBondContact O-N 2.75Å; Y399-R402 PolarHBondContact O-N 2.64Å; R402-Y404 VanDerWaalsContact C-N 3.28Å; R402-Y404 PolarHBondContact O-N 3.32Å; R402-I405 PolarHBondContact O-N 2.97Å; R402-E406 WeakPolarHBondContact O-CG 3.35Å; R402-E406 PolarHBondContact O-N 3.17Å
403R78.5Confident73.5Confident153 Ų153119.1 Ų119.158%0.57758%0.577SS**Hα-helixtrans-63.8-34.7177.6-170.1175.2-177.9147-1112.5Y399 A400 R401 K407Y399-R403 WeakPolarHBondContact O-CB 3.45Å; Y399-R403 PolarHBondContact O-N 3.41Å; Y399-R403 PolarHBondContact OH-NH1 3.43Å; A400-R403 PolarHBondContact O-N 3.3Å; R401-R403 PolarHBondContact O-N 2.76Å; R403-K407 WeakPolarHBondContact O-CB 3.49Å; R403-K407 PolarHBondContact O-N 3.18Å
404Y76.9Confident72.4Confident138 Ų138120.3 Ų120.354%0.54159%0.59SS.*Hα-helixtrans-67.7-45.8175-175-93.6000111.2A400 R401 R402 K407 H408 L410A400-Y404 WeakPolarHBondContact O-CB 3.38Å; A400-Y404 PolarHBondContact O-N 3.35Å; R401-Y404 WeakPolarHBondContact O-CB 3.46Å; R401-Y404 PolarHBondContact O-N 3.15Å; R402-Y404 VanDerWaalsContact C-N 3.28Å; R402-Y404 PolarHBondContact O-N 3.32Å; Y404-K407 PolarHBondContact O-N 3.13Å; Y404-H408 AromaticContact CD2-CD2 3.7Å; Y404-H408 AromaticContact CE2-CD2 3.52Å; Y404-H408 AromaticContact CE2-NE2 3.63Å; Y404-H408 AromaticContact CZ-CD2 3.75Å; Y404-H408 WeakPolarHBondContact O-CB 3.42Å; Y404-H408 PolarHBondContact O-CD2 3.18Å; Y404-H408 VanDerWaalsContact O-CD2 3.27Å; Y404-H408 PolarHBondContact O-N 3.2Å; Y404-L410 HydrophobicContact CE1-CD1 4.21Å
405I79.9Confident71.2Confident42 Ų42118.1 Ų118.122%0.21559%0.588CS.*Hα-helixtrans-60.7-48176.7-69.2169.7000110.9R401 R402 K407 H408 G409 L410R401-I405 HydrophobicContact CG-CD1 3.98Å; R401-I405 VanDerWaalsContact O-CG1 3.27Å; R401-I405 WeakPolarHBondContact O-CG1 3.5Å; R401-I405 PolarHBondContact O-N 3.1Å; R402-I405 PolarHBondContact O-N 2.97Å; I405-K407 VanDerWaalsContact C-N 3.34Å; I405-K407 PolarHBondContact O-N 2.91Å; I405-H408 CarbonylContact O-C 3.32Å; I405-H408 PolarHBondContact O-N 3.13Å; I405-G409 PolarHBondContact O-N 3.25Å; I405-L410 HydrophobicContact CG2-CB 4.31Å; I405-L410 WeakPolarHBondContact CG2-O 3.32Å; I405-L410 PolarHBondContact O-N 3.26Å
406E76.4Confident69.7Low158 Ų158128 Ų12874%0.73862%0.623SS**Hα-helixtrans-60.8-39.6176.2-76.9174.4-179.200112.8R402 H408R402-E406 WeakPolarHBondContact O-CG 3.35Å; R402-E406 PolarHBondContact O-N 3.17Å; E406-H408 VanDerWaalsContact C-N 3.31Å; E406-H408 PolarHBondContact O-N 3.23Å
407K76.8Confident69.5Low169 Ų169128.8 Ų128.874%0.73563%0.625SS**Hα-helixtrans-71.7-27.7179.9-171.9177.9-179.8-172.50112.6R403 Y404 I405R403-K407 WeakPolarHBondContact O-CB 3.49Å; R403-K407 PolarHBondContact O-N 3.18Å; Y404-K407 PolarHBondContact O-N 3.13Å; I405-K407 VanDerWaalsContact C-N 3.34Å; I405-K407 PolarHBondContact O-N 2.91Å
408H77.1Confident69.2Low100 Ų100127.1 Ų127.146%0.46362%0.624SS.*Hα-helixtrans-109.92.5-174-71.5-76000114.2Y404 I405 E406 L410Y404-H408 AromaticContact CD2-CD2 3.7Å; Y404-H408 AromaticContact CE2-CD2 3.52Å; Y404-H408 AromaticContact CE2-NE2 3.63Å; Y404-H408 AromaticContact CZ-CD2 3.75Å; Y404-H408 WeakPolarHBondContact O-CB 3.42Å; Y404-H408 PolarHBondContact O-CD2 3.18Å; Y404-H408 VanDerWaalsContact O-CD2 3.27Å; Y404-H408 PolarHBondContact O-N 3.2Å; I405-H408 CarbonylContact O-C 3.32Å; I405-H408 PolarHBondContact O-N 3.13Å; E406-H408 VanDerWaalsContact C-N 3.31Å; E406-H408 PolarHBondContact O-N 3.23Å; H408-L410 VanDerWaalsContact C-N 3.29Å; H408-L410 HydrophobicContact CB-CD1 4.24Å; H408-L410 HydrophobicContact CB-CG 4.21Å; H408-L410 PolarHBondContact O-N 3.37Å
409G76Confident68.9Low70 Ų70130 Ų13072%0.72264%0.637SS**THydrogen-bonded Turntrans62.232.9173.600000113.9I405I405-G409 PolarHBondContact O-N 3.25Å
410L68.8Low68.6Low95 Ų95129.5 Ų129.550%0.49764%0.643SS.*  trans-86.5131.9-179-62.3170.5000109.4Y404 I405 H408Y404-L410 HydrophobicContact CE1-CD1 4.21Å; I405-L410 HydrophobicContact CG2-CB 4.31Å; I405-L410 WeakPolarHBondContact CG2-O 3.32Å; I405-L410 PolarHBondContact O-N 3.26Å; H408-L410 VanDerWaalsContact C-N 3.29Å; H408-L410 HydrophobicContact CB-CD1 4.24Å; H408-L410 HydrophobicContact CB-CG 4.21Å; H408-L410 PolarHBondContact O-N 3.37Å
411D64.6Low67.9Low140 Ų140134.1 Ų134.175%0.74965%0.654SS**  trans-70.5139175.3-89.8-40.1000110.8E413D411-E413 PolarHBondContact O-N 3.39Å; D411-E413 VanDerWaalsContact O-N 3.12Å
412P57.9Low67.2Low104 Ų104134.5 Ų134.568%0.67567%0.666SS**THydrogen-bonded Turntrans-73.91.3-17127.4-33.3000115.3
413E53Low66.5Low173 Ų173131.4 Ų131.481%0.80867%0.665SS**THydrogen-bonded Turntrans-95.9-11.8-172.4-64.5-157.5140.100115.7D411 S415D411-E413 PolarHBondContact O-N 3.39Å; D411-E413 VanDerWaalsContact O-N 3.12Å; E413-S415 VanDerWaalsContact C-N 3.32Å; E413-S415 PolarHBondContact O-N 3.31Å
414D52.5Low65.6Low157 Ų157129.7 Ų129.784%0.8467%0.672SS**SBendtrans-92.333.1-177.7-79.5-25.6000114.3
415S51.8Low64.7Low74 Ų74129 Ų12952%0.51768%0.683SS.*  trans-146.871.9179-63.30000112.5E413E413-S415 VanDerWaalsContact C-N 3.32Å; E413-S415 PolarHBondContact O-N 3.31Å
416H41.5Very low63.3Low266 Ų266136.9 Ų136.9100%1.23173%0.725SS**  trans-1160159.3-100.4-66.6000111.3

Retrieved 416 of 416 residues in 770.5 ms (Link to these results)

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