A0A5K4F4V2_SCHMA Loading...

Calcium activated potassium channel subunit

AlphaFold DB , UniProt , Accession A0A5K4F4V2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 209 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
1M44.2Very low57.7Low206 Ų206122.7 Ų122.7100%1.01565%0.645SS**  0125.30-83.1172.5166.700108.3Q5M1-Q5 HydrophobicContact CB-CB 4.22Å; M1-Q5 HydrophobicContact CG-CB 4.27Å; M1-Q5 VanDerWaalsContact CG-OE1 3.3Å
2T54.6Low59.4Low96 Ų96125.4 Ų125.459%0.58965%0.652SS**  trans-76.2159.9176.443.60000110.4R4 Q5T2-R4 PolarHBondContact O-N 3.08Å; T2-Q5 PolarHBondContact O-N 2.83Å
3T57Low61Low127 Ų127121.1 Ų121.178%0.77964%0.639SS**Hα-helixtrans-51-27.1179.3-21.20000113.3C7T3-C7 PolarHBondContact O-N 2.96Å
4R52.7Low62.6Low215 Ų215122.5 Ų122.581%0.81163%0.633SS**Hα-helixtrans-66.8-34.6173.8-80.1-175.8172.7177.8-2.2114.1T2T2-R4 PolarHBondContact O-N 3.08Å
5Q54.3Low64Low95 Ų95119.4 Ų119.444%0.44461%0.614SS.*Hα-helixtrans-76.4-29.8179.2-70.8177.5-51.100112.3M1 T2 C7M1-Q5 HydrophobicContact CB-CB 4.22Å; M1-Q5 HydrophobicContact CG-CB 4.27Å; M1-Q5 VanDerWaalsContact CG-OE1 3.3Å; T2-Q5 PolarHBondContact O-N 2.83Å; Q5-C7 VanDerWaalsContact C-N 3.33Å
6L55.6Low65.4Low118 Ų118116.6 Ų116.662%0.61860%0.6SS**Hα-helixtrans-70.1-31176.6-159.673.2000112.3S9L6-S9 PolarHBondContact O-OG 3.36Å
7C55.7Low66.8Low77 Ų77114.9 Ų114.952%0.5259%0.592SS.*Hα-helixtrans-73.9-31.8179.6-153.30000112.2T3 Q5 S9 Q15T3-C7 PolarHBondContact O-N 2.96Å; Q5-C7 VanDerWaalsContact C-N 3.33Å; C7-S9 VanDerWaalsContact C-N 3.31Å; C7-S9 PolarHBondContact O-N 2.89Å; C7-Q15 PolarHBondContact O-NE2 3.24Å
8Q55.1Low68.1Low169 Ų169111.8 Ų111.879%0.7958%0.582SS**THydrogen-bonded Turntrans-78.5-8.5179.5-71.1-178-31.800114.2
9S64.1Low69.2Low86 Ų86108.6 Ų108.660%0.60157%0.565SS**THydrogen-bonded Turntrans-94.5-4.2-179.157.10000114.9L6 C7L6-S9 PolarHBondContact O-OG 3.36Å; C7-S9 VanDerWaalsContact C-N 3.31Å; C7-S9 PolarHBondContact O-N 2.89Å
10L63.7Low70.4Confident90 Ų90104.7 Ų104.747%0.47154%0.544SS..SBendtrans-87.3133.8177.7-87.6143.1000110.4Q15L10-Q15 HydrophobicContact CB-CG 4.26Å
11P77.6Confident71.5Confident71 Ų71104.6 Ų104.646%0.46154%0.543SS..  trans-59.9141.2175.1-16.427.1000110.9S13 Y14 Q15P11-S13 PolarHBondContact O-N 3.35Å; P11-S13 VanDerWaalsContact O-N 3.11Å; P11-Y14 HydrophobicContact CB-CD2 3.87Å; P11-Y14 HydrophobicContact CG-CD2 3.61Å; P11-Y14 HydrophobicContact CG-CE2 4Å; P11-Y14 WeakPolarHBondContact O-CB 3.41Å; P11-Y14 PolarHBondContact O-N 3Å; P11-Q15 PolarHBondContact O-N 2.86Å
12E78.2Confident73.9Confident155 Ų15598.1 Ų98.172%0.72451%0.511SS*.Hα-helixtrans-52.6-36.7-177.2-68.8-177.4166.600112.9Y14 Q15 I16E12-Y14 VanDerWaalsContact C-N 3.3Å; E12-Y14 PolarHBondContact O-N 3.05Å; E12-Q15 PolarHBondContact O-N 2.93Å; E12-Q15 VanDerWaalsContact O-N 3.14Å; E12-I16 WeakPolarHBondContact O-CG1 3.1Å; E12-I16 PolarHBondContact O-N 3.09Å
13S80.4Confident75.8Confident69 Ų6994.7 Ų94.748%0.48349%0.488SS..Hα-helixtrans-59.4-37.317659.20000113.2P11 N17P11-S13 PolarHBondContact O-N 3.35Å; P11-S13 VanDerWaalsContact O-N 3.11Å; S13-N17 WeakPolarHBondContact O-CB 3.43Å; S13-N17 PolarHBondContact O-N 3.01Å; S13-N17 PolarHBondContact O-ND2 2.87Å
14Y82.7Confident77.5Confident141 Ų14193.3 Ų93.355%0.55348%0.476SS*.Hα-helixtrans-70.5-37.2176.1-79.3-84.7000111.9P11 E12 S18P11-Y14 HydrophobicContact CB-CD2 3.87Å; P11-Y14 HydrophobicContact CG-CD2 3.61Å; P11-Y14 HydrophobicContact CG-CE2 4Å; P11-Y14 WeakPolarHBondContact O-CB 3.41Å; P11-Y14 PolarHBondContact O-N 3Å; E12-Y14 VanDerWaalsContact C-N 3.3Å; E12-Y14 PolarHBondContact O-N 3.05Å; Y14-S18 VanDerWaalsContact O-CB 3.29Å; Y14-S18 WeakPolarHBondContact O-CB 3.38Å; Y14-S18 PolarHBondContact O-N 2.72Å; Y14-S18 PolarHBondContact O-OG 2.89Å
15Q83.8Confident79.6Confident76 Ų7686.2 Ų86.236%0.35546%0.456SS..Hα-helixtrans-65-47.9177.3-65.1-175.8-900110.9C7 L10 P11 E12 N17 S18 I19C7-Q15 PolarHBondContact O-NE2 3.24Å; L10-Q15 HydrophobicContact CB-CG 4.26Å; P11-Q15 PolarHBondContact O-N 2.86Å; E12-Q15 PolarHBondContact O-N 2.93Å; E12-Q15 VanDerWaalsContact O-N 3.14Å; Q15-N17 PolarHBondContact O-N 2.84Å; Q15-S18 PolarHBondContact O-N 2.92Å; Q15-I19 WeakPolarHBondContact O-CG1 3.48Å; Q15-I19 PolarHBondContact O-N 3.35Å
16I86.6Confident81.6Confident75 Ų7582.1 Ų82.139%0.38544%0.438SS..Hα-helixtrans-57.2-51.8176.1-68.1169.7000110.4E12 S18 I19 K20 V200E12-I16 WeakPolarHBondContact O-CG1 3.1Å; E12-I16 PolarHBondContact O-N 3.09Å; I16-S18 VanDerWaalsContact C-N 3.3Å; I16-S18 PolarHBondContact O-N 3.25Å; I16-I19 PolarHBondContact O-N 2.98Å; I16-K20 HydrophobicContact CG2-CD 4.41Å; I16-K20 WeakPolarHBondContact O-CG 3.23Å; I16-K20 PolarHBondContact O-N 2.98Å; I16-V200 HydrophobicContact CB-CG2 4.2Å; I16-V200 HydrophobicContact CG2-CG2 3.62Å; I16-V200 WeakPolarHBondContact O-CG2 3.48Å
17N88.8Confident83.5Confident87 Ų8778.6 Ų78.647%0.46543%0.425SS..Hα-helixtrans-61.5-39.1-179.9-73.1-20.5000112.3S13 Q15 K20 I21S13-N17 WeakPolarHBondContact O-CB 3.43Å; S13-N17 PolarHBondContact O-N 3.01Å; S13-N17 PolarHBondContact O-ND2 2.87Å; Q15-N17 PolarHBondContact O-N 2.84Å; N17-K20 PolarHBondContact O-N 2.87Å; N17-I21 WeakPolarHBondContact O-CD1 3.16Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 2.81Å; N17-I21 PolarHBondContact O-N 2.83Å
18S90.1Very high85.5Confident59 Ų5978.5 Ų78.541%0.41342%0.423SS..Hα-helixtrans-62.8-45.5177.3-600000111.5Y14 Q15 I16 I21 I22Y14-S18 VanDerWaalsContact O-CB 3.29Å; Y14-S18 WeakPolarHBondContact O-CB 3.38Å; Y14-S18 PolarHBondContact O-N 2.72Å; Y14-S18 PolarHBondContact O-OG 2.89Å; Q15-S18 PolarHBondContact O-N 2.92Å; I16-S18 VanDerWaalsContact C-N 3.3Å; I16-S18 PolarHBondContact O-N 3.25Å; S18-I21 PolarHBondContact O-N 3.18Å; S18-I22 VanDerWaalsContact O-CG1 3.26Å; S18-I22 WeakPolarHBondContact O-CG1 3.46Å; S18-I22 PolarHBondContact O-N 2.91Å
19I90.4Very high87.5Confident52 Ų5273.4 Ų73.427%0.26740%0.4SS..Hα-helixtrans-62.7-44.8178-66.5169.4000110.7Q15 I16 I21 I22 Y23 I192 D196 V200Q15-I19 WeakPolarHBondContact O-CG1 3.48Å; Q15-I19 PolarHBondContact O-N 3.35Å; I16-I19 PolarHBondContact O-N 2.98Å; I19-I21 VanDerWaalsContact C-N 3.35Å; I19-I21 PolarHBondContact O-N 3.01Å; I19-I22 PolarHBondContact O-N 2.98Å; I19-Y23 HydrophobicContact CG2-CD2 3.73Å; I19-Y23 HydrophobicContact CG2-CE2 3.57Å; I19-Y23 WeakPolarHBondContact O-CD2 3.39Å; I19-Y23 PolarHBondContact O-N 2.84Å; I19-I192 HydrophobicContact CG2-CG2 4.02Å; I19-D196 HydrophobicContact CG2-CB 4.37Å; I19-V200 HydrophobicContact CB-CG2 4.06Å; I19-V200 HydrophobicContact CG2-CB 4.03Å; I19-V200 HydrophobicContact CG2-CG1 4Å; I19-V200 HydrophobicContact CG2-CG2 4.05Å
20K91.6Very high89Confident30 Ų3071 Ų7113%0.1338%0.38CS..Hα-helixtrans-57.5-46.2175.1-68.8-174.8-178.6-173.50111.8I16 N17 I22 Y23 L24 V200 W201 D204I16-K20 HydrophobicContact CG2-CD 4.41Å; I16-K20 WeakPolarHBondContact O-CG 3.23Å; I16-K20 PolarHBondContact O-N 2.98Å; N17-K20 PolarHBondContact O-N 2.87Å; K20-I22 VanDerWaalsContact C-N 3.29Å; K20-I22 PolarHBondContact O-N 2.55Å; K20-Y23 PolarHBondContact O-N 3.18Å; K20-L24 WeakPolarHBondContact O-CG 3.41Å; K20-L24 PolarHBondContact O-N 3.47Å; K20-V200 HydrophobicContact CD-CG2 4.36Å; K20-V200 WeakPolarHBondContact CE-O 3.43Å; K20-V200 HydrophobicContact CG-CB 4.45Å; K20-V200 HydrophobicContact CG-CG1 4.07Å; K20-V200 HydrophobicContact CG-CG2 3.58Å; K20-W201 HydrophobicContact CB-CH2 4.02Å; K20-W201 HydrophobicContact CB-CZ2 4.27Å; K20-W201 HydrophobicContact CD-CE3 4.36Å; K20-W201 HydrophobicContact CD-CH2 4.31Å; K20-W201 HydrophobicContact CD-CZ3 4.01Å; K20-W201 HydrophobicContact CG-CE3 4.46Å; K20-W201 HydrophobicContact CG-CH2 3.98Å; K20-W201 HydrophobicContact CG-CZ2 4.18Å; K20-W201 HydrophobicContact CG-CZ3 4.12Å; K20-D204 IonicContact NZ-OD1 2.7Å; K20-D204 PolarHBondContact NZ-OD1 3.44Å; K20-D204 IonicContact NZ-OD2 2.7Å; K20-D204 PolarHBondContact NZ-OD2 2.94Å
21I94.3Very high90.6Very high102 Ų10270.6 Ų70.652%0.52338%0.381SS..Hα-helixtrans-59.1-42.4177.6-71.5165000110.8N17 S18 I19 L24 T25N17-I21 WeakPolarHBondContact O-CD1 3.16Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 2.81Å; N17-I21 PolarHBondContact O-N 2.83Å; S18-I21 PolarHBondContact O-N 3.18Å; I19-I21 VanDerWaalsContact C-N 3.35Å; I19-I21 PolarHBondContact O-N 3.01Å; I21-L24 PolarHBondContact O-N 2.84Å; I21-T25 VanDerWaalsContact O-CB 3.27Å; I21-T25 WeakPolarHBondContact O-CB 2.88Å; I21-T25 PolarHBondContact O-N 3.21Å; I21-T25 PolarHBondContact O-OG1 2.79Å
22I93.9Very high91.5Very high70 Ų7070.5 Ų70.536%0.35938%0.379SS..Hα-helixtrans-68.5-43.3-179.5-56.7159.3000111.2S18 I19 K20 L24 T25 C26 I192S18-I22 VanDerWaalsContact O-CG1 3.26Å; S18-I22 WeakPolarHBondContact O-CG1 3.46Å; S18-I22 PolarHBondContact O-N 2.91Å; I19-I22 PolarHBondContact O-N 2.98Å; K20-I22 VanDerWaalsContact C-N 3.29Å; K20-I22 PolarHBondContact O-N 2.55Å; I22-L24 VanDerWaalsContact C-N 3.34Å; I22-L24 PolarHBondContact O-N 3.11Å; I22-T25 PolarHBondContact O-N 3.16Å; I22-C26 WeakPolarHBondContact O-CB 3.44Å; I22-C26 PolarHBondContact O-N 2.9Å; I22-C26 PolarHBondContact O-SG 3.25Å; I22-I192 HydrophobicContact CB-CD1 3.86Å; I22-I192 HydrophobicContact CG2-CD1 3.14Å
23Y94.3Very high92.4Very high24 Ų2463.6 Ų63.69%0.09435%0.348CS..Hα-helixtrans-54.7-50.1173.6-87.6-70.3000111.7I19 K20 C26 A27 L189 I192 Y193 D196 V200 W201I19-Y23 HydrophobicContact CG2-CD2 3.73Å; I19-Y23 HydrophobicContact CG2-CE2 3.57Å; I19-Y23 WeakPolarHBondContact O-CD2 3.39Å; I19-Y23 PolarHBondContact O-N 2.84Å; K20-Y23 PolarHBondContact O-N 3.18Å; Y23-C26 PolarHBondContact O-N 3Å; Y23-A27 WeakPolarHBondContact O-CB 2.94Å; Y23-A27 PolarHBondContact O-N 2.78Å; Y23-L189 HydrophobicContact CD1-CD2 3.6Å; Y23-L189 HydrophobicContact CE1-CD2 4.27Å; Y23-L189 HydrophobicContact CG-CD2 4.44Å; Y23-I192 HydrophobicContact CD2-CG2 4Å; Y23-I192 HydrophobicContact CE1-CG2 4.07Å; Y23-I192 HydrophobicContact CE2-CG2 3.44Å; Y23-I192 VanDerWaalsContact CE2-CG2 3.44Å; Y23-I192 VanDerWaalsContact CZ-CG2 3.48Å; Y23-Y193 WeakPolarHBondContact OH-CA 3.46Å; Y23-D196 HydrophobicContact CE2-CB 4.41Å; Y23-D196 WeakPolarHBondContact CE2-OD2 3.4Å; Y23-D196 PolarHBondContact OH-OD2 3.29Å; Y23-V200 HydrophobicContact CD2-CG1 4.09Å; Y23-V200 HydrophobicContact CE2-CG1 3.94Å; Y23-W201 AromaticContact CD2-NE1 3.81Å
24L94.7Very high93.2Very high99 Ų9966.5 Ų66.552%0.51835%0.352SS..Hα-helixtrans-64.5-42-179.7-67.9173.8000111.9K20 I21 I22 A27 T28 W201K20-L24 WeakPolarHBondContact O-CG 3.41Å; K20-L24 PolarHBondContact O-N 3.47Å; I21-L24 PolarHBondContact O-N 2.84Å; I22-L24 VanDerWaalsContact C-N 3.34Å; I22-L24 PolarHBondContact O-N 3.11Å; L24-A27 PolarHBondContact O-N 3.38Å; L24-T28 WeakPolarHBondContact O-CB 3.29Å; L24-T28 VanDerWaalsContact O-CG2 3.26Å; L24-T28 WeakPolarHBondContact O-CG2 3.39Å; L24-T28 PolarHBondContact O-N 3.25Å; L24-T28 PolarHBondContact O-OG1 3.49Å; L24-W201 HydrophobicContact CD1-CH2 4.37Å; L24-W201 HydrophobicContact CD2-CH2 4.24Å; L24-W201 HydrophobicContact CG-CH2 4.17Å
25T96.4Very high93.8Very high66 Ų6664.4 Ų64.441%0.40535%0.349SS..Hα-helixtrans-63.2-43.7177.7-58.30000111I21 I22 T28 I29I21-T25 VanDerWaalsContact O-CB 3.27Å; I21-T25 WeakPolarHBondContact O-CB 2.88Å; I21-T25 PolarHBondContact O-N 3.21Å; I21-T25 PolarHBondContact O-OG1 2.79Å; I22-T25 PolarHBondContact O-N 3.16Å; T25-T28 WeakPolarHBondContact CA-OG1 3.2Å; T25-T28 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact O-OG1 2.73Å; T25-I29 HydrophobicContact CG2-CD1 3.87Å; T25-I29 WeakPolarHBondContact O-CB 3.22Å; T25-I29 VanDerWaalsContact O-CG1 3.23Å; T25-I29 WeakPolarHBondContact O-CG1 3.34Å; T25-I29 PolarHBondContact O-N 2.79Å
26C96.3Very high94.4Very high8 Ų864.7 Ų64.75%0.05435%0.353CS..Hα-helixtrans-70.3-41.7-179.7-61.30000111.8I22 Y23 T28 I29 M30 S185 C188 L189I22-C26 WeakPolarHBondContact O-CB 3.44Å; I22-C26 PolarHBondContact O-N 2.9Å; I22-C26 PolarHBondContact O-SG 3.25Å; Y23-C26 PolarHBondContact O-N 3Å; C26-T28 VanDerWaalsContact C-N 3.34Å; C26-T28 PolarHBondContact O-N 3.46Å; C26-I29 PolarHBondContact O-N 3.02Å; C26-M30 WeakPolarHBondContact O-CG 3.07Å; C26-M30 PolarHBondContact O-N 3.43Å; C26-S185 VanDerWaalsContact C-OG 3.25Å; C26-S185 WeakPolarHBondContact CA-OG 3.13Å; C26-S185 VanDerWaalsContact CB-OG 3.26Å; C26-S185 WeakPolarHBondContact CB-OG 3.4Å; C26-S185 PolarHBondContact O-OG 3.02Å; C26-C188 VanDerWaalsContact SG-SG 3.64Å; C26-L189 HydrophobicContact CB-CD1 3.93Å; C26-L189 HydrophobicContact CB-CD2 3.49Å; C26-L189 VanDerWaalsContact CB-CD2 3.49Å; C26-L189 HydrophobicContact CB-CG 3.36Å
27A95Very high94.8Very high44 Ų4462.4 Ų62.436%0.36434%0.34SS..Hα-helixtrans-61.2-40.8175.100000112.4Y23 L24 M30 T31Y23-A27 WeakPolarHBondContact O-CB 2.94Å; Y23-A27 PolarHBondContact O-N 2.78Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-M30 PolarHBondContact O-N 2.04Å; A27-T31 WeakPolarHBondContact O-CG2 3.46Å; A27-T31 PolarHBondContact O-N 3.45Å; A27-T31 PolarHBondContact O-OG1 3.31Å
28T96.6Very high95.2Very high75 Ų7560.7 Ų60.746%0.4633%0.334SS..Hα-helixtrans-67.4-39.917550.10000112L24 T25 C26 T31 T32L24-T28 WeakPolarHBondContact O-CB 3.29Å; L24-T28 VanDerWaalsContact O-CG2 3.26Å; L24-T28 WeakPolarHBondContact O-CG2 3.39Å; L24-T28 PolarHBondContact O-N 3.25Å; L24-T28 PolarHBondContact O-OG1 3.49Å; T25-T28 WeakPolarHBondContact CA-OG1 3.2Å; T25-T28 PolarHBondContact O-N 2.95Å; T25-T28 PolarHBondContact O-OG1 2.73Å; C26-T28 VanDerWaalsContact C-N 3.34Å; C26-T28 PolarHBondContact O-N 3.46Å; T28-T31 WeakPolarHBondContact CA-OG1 3.29Å; T28-T31 PolarHBondContact O-N 3.36Å; T28-T31 PolarHBondContact O-OG1 3.31Å; T28-T32 WeakPolarHBondContact O-CB 3.12Å; T28-T32 VanDerWaalsContact O-CG2 3.25Å; T28-T32 WeakPolarHBondContact O-CG2 3.48Å; T28-T32 PolarHBondContact O-N 2.86Å; T28-T32 PolarHBondContact O-OG1 2.87Å
29I97.6Very high95.5Very high62 Ų6262 Ų6232%0.31834%0.336SS..Hα-helixtrans-62.5-45.4173.8-70.9167.5000110.8T25 C26 T31 T32 T33T25-I29 HydrophobicContact CG2-CD1 3.87Å; T25-I29 WeakPolarHBondContact O-CB 3.22Å; T25-I29 VanDerWaalsContact O-CG1 3.23Å; T25-I29 WeakPolarHBondContact O-CG1 3.34Å; T25-I29 PolarHBondContact O-N 2.79Å; C26-I29 PolarHBondContact O-N 3.02Å; I29-T31 PolarHBondContact O-N 3.35Å; I29-T32 WeakPolarHBondContact CA-OG1 3.43Å; I29-T32 PolarHBondContact O-OG1 2.01Å; I29-T32 VanDerWaalsContact O-OG1 3.14Å; I29-T33 HydrophobicContact CG2-CG2 4.04Å; I29-T33 VanDerWaalsContact O-CB 3.28Å; I29-T33 WeakPolarHBondContact O-CB 2.98Å; I29-T33 WeakPolarHBondContact O-CG2 3.04Å; I29-T33 PolarHBondContact O-N 3.35Å; I29-T33 PolarHBondContact O-OG1 2.87Å
30M96.5Very high95.7Very high36 Ų3661.5 Ų61.518%0.17733%0.334CS..Hα-helixtrans-61.5-46.7178.9-77.1-179.86600112.1C26 A27 T33 F34 F182 F186 L189C26-M30 WeakPolarHBondContact O-CG 3.07Å; C26-M30 PolarHBondContact O-N 3.43Å; A27-M30 PolarHBondContact O-N 2.04Å; M30-T33 WeakPolarHBondContact CA-OG1 3.11Å; M30-T33 PolarHBondContact O-OG1 2.78Å; M30-T33 VanDerWaalsContact O-OG1 3.06Å; M30-F34 VanDerWaalsContact O-CB 3.31Å; M30-F34 WeakPolarHBondContact O-CB 3.36Å; M30-F34 PolarHBondContact O-N 3.49Å; M30-F182 HydrophobicContact CB-CD2 4.14Å; M30-F182 HydrophobicContact CB-CE2 4.02Å; M30-F182 HydrophobicContact CE-CE1 4.3Å; M30-F182 HydrophobicContact CE-CE2 3.73Å; M30-F182 HydrophobicContact CE-CZ 3.57Å; M30-F182 HydrophobicContact CG-CD2 4.19Å; M30-F182 HydrophobicContact CG-CE2 4.18Å; M30-F186 HydrophobicContact CE-CB 4.36Å; M30-F186 HydrophobicContact CE-CD2 3.82Å; M30-F186 HydrophobicContact SD-CB 4.24Å; M30-F186 HydrophobicContact SD-CD2 4.35Å; M30-L189 HydrophobicContact SD-CD1 3.43Å; M30-L189 WeakPolarHBondContact SD-CD1 3.39Å
31T96.5Very high95.8Very high81 Ų8163.4 Ų63.450%0.49734%0.344SS..Hα-helixtrans-66.4-45-179.847.30000111.7A27 T28 I29 F34 I35A27-T31 WeakPolarHBondContact O-CG2 3.46Å; A27-T31 PolarHBondContact O-N 3.45Å; A27-T31 PolarHBondContact O-OG1 3.31Å; T28-T31 WeakPolarHBondContact CA-OG1 3.29Å; T28-T31 PolarHBondContact O-N 3.36Å; T28-T31 PolarHBondContact O-OG1 3.31Å; I29-T31 PolarHBondContact O-N 3.35Å; T31-F34 PolarHBondContact O-N 2.98Å; T31-I35 WeakPolarHBondContact O-CD1 3.31Å; T31-I35 VanDerWaalsContact O-CG1 3.27Å; T31-I35 WeakPolarHBondContact O-CG1 3.23Å; T31-I35 PolarHBondContact O-N 2.83Å
32T96.8Very high95.8Very high69 Ų6964.4 Ų64.442%0.42335%0.347SS..Hα-helixtrans-67.1-43.1178.653.40000112.7T28 I29 F34 I35 I36T28-T32 WeakPolarHBondContact O-CB 3.12Å; T28-T32 VanDerWaalsContact O-CG2 3.25Å; T28-T32 WeakPolarHBondContact O-CG2 3.48Å; T28-T32 PolarHBondContact O-N 2.86Å; T28-T32 PolarHBondContact O-OG1 2.87Å; I29-T32 WeakPolarHBondContact CA-OG1 3.43Å; I29-T32 PolarHBondContact O-OG1 2.01Å; I29-T32 VanDerWaalsContact O-OG1 3.14Å; T32-F34 PolarHBondContact O-N 2.81Å; T32-I35 PolarHBondContact O-N 3.01Å; T32-I36 WeakPolarHBondContact O-CB 3.23Å; T32-I36 VanDerWaalsContact O-CG1 3.23Å; T32-I36 WeakPolarHBondContact O-CG1 3.26Å; T32-I36 PolarHBondContact O-N 2.75Å
33T97.3Very high95.6Very high10 Ų1066.3 Ų66.36%0.06136%0.357CS..Hα-helixtrans-63.4-40.4176.950.60000112I29 M30 I36 E37 L181I29-T33 HydrophobicContact CG2-CG2 4.04Å; I29-T33 VanDerWaalsContact O-CB 3.28Å; I29-T33 WeakPolarHBondContact O-CB 2.98Å; I29-T33 WeakPolarHBondContact O-CG2 3.04Å; I29-T33 PolarHBondContact O-N 3.35Å; I29-T33 PolarHBondContact O-OG1 2.87Å; M30-T33 WeakPolarHBondContact CA-OG1 3.11Å; M30-T33 PolarHBondContact O-OG1 2.78Å; M30-T33 VanDerWaalsContact O-OG1 3.06Å; T33-I36 PolarHBondContact O-N 2.99Å; T33-E37 WeakPolarHBondContact O-CB 3.38Å; T33-E37 PolarHBondContact O-N 2.84Å; T33-L181 HydrophobicContact CG2-CB 3.76Å; T33-L181 HydrophobicContact CG2-CD1 4.43Å
34F96Very high95.6Very high130 Ų13066.2 Ų66.257%0.5736%0.359SS*.Hα-helixtrans-61.2-46.3173.9179.3-99.5000112.3M30 T31 T32 E37 C38M30-F34 VanDerWaalsContact O-CB 3.31Å; M30-F34 WeakPolarHBondContact O-CB 3.36Å; M30-F34 PolarHBondContact O-N 3.49Å; T31-F34 PolarHBondContact O-N 2.98Å; T32-F34 PolarHBondContact O-N 2.81Å; F34-E37 PolarHBondContact O-N 3.48Å; F34-C38 PolarHBondContact O-N 2.89Å; F34-C38 VanDerWaalsContact O-N 3.1Å; F34-C38 PolarHBondContact O-SG 3.34Å; F34-C38 VanDerWaalsContact O-SG 3.37Å
35I96.6Very high95.4Very high97 Ų9762.2 Ų62.250%0.49734%0.338SS..Hα-helixtrans-62.2-45.7177.1-68.1165.5000110.9T31 T32 E37 C38 I39T31-I35 WeakPolarHBondContact O-CD1 3.31Å; T31-I35 VanDerWaalsContact O-CG1 3.27Å; T31-I35 WeakPolarHBondContact O-CG1 3.23Å; T31-I35 PolarHBondContact O-N 2.83Å; T32-I35 PolarHBondContact O-N 3.01Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 PolarHBondContact O-N 2.63Å; I35-C38 PolarHBondContact O-N 3.18Å; I35-I39 HydrophobicContact CG2-CD1 3.95Å; I35-I39 WeakPolarHBondContact O-CG1 3.08Å; I35-I39 PolarHBondContact O-N 2.99Å; I35-I39 VanDerWaalsContact O-N 3.11Å
36I96.5Very high95.2Very high83 Ų8363.4 Ų63.443%0.42634%0.34SS..Hα-helixtrans-61.2-43.3178.3-71.5167.4000110.6T32 T33 C38 I39 L40 P178T32-I36 WeakPolarHBondContact O-CB 3.23Å; T32-I36 VanDerWaalsContact O-CG1 3.23Å; T32-I36 WeakPolarHBondContact O-CG1 3.26Å; T32-I36 PolarHBondContact O-N 2.75Å; T33-I36 PolarHBondContact O-N 2.99Å; I36-C38 PolarHBondContact O-N 2.95Å; I36-I39 PolarHBondContact O-N 3.45Å; I36-I39 VanDerWaalsContact O-N 3.16Å; I36-L40 HydrophobicContact CG2-CD1 3.68Å; I36-L40 HydrophobicContact CG2-CG 4.12Å; I36-L40 WeakPolarHBondContact O-CG 3.2Å; I36-L40 PolarHBondContact O-N 3.36Å; I36-P178 HydrophobicContact CG2-CG 4.49Å
37E95.4Very high95Very high26 Ų2663.7 Ų63.712%0.12134%0.341CS..Hα-helixtrans-58-48.1177.2-175.763.7-16200111.1T33 F34 I35 I39 L40 I41 P178T33-E37 WeakPolarHBondContact O-CB 3.38Å; T33-E37 PolarHBondContact O-N 2.84Å; F34-E37 PolarHBondContact O-N 3.48Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 PolarHBondContact O-N 2.63Å; E37-I39 VanDerWaalsContact C-N 3.3Å; E37-I39 PolarHBondContact O-N 3.2Å; E37-L40 PolarHBondContact O-N 3.41Å; E37-I41 HydrophobicContact CG-CD1 3.99Å; E37-I41 VanDerWaalsContact O-CG1 3.27Å; E37-I41 WeakPolarHBondContact O-CG1 3.18Å; E37-I41 PolarHBondContact O-N 3.22Å; E37-P178 HydrophobicContact CB-CB 4.39Å; E37-P178 WeakPolarHBondContact OE2-CB 3.13Å; E37-P178 WeakPolarHBondContact OE2-CG 3.47Å
38C96.3Very high94.9Very high51 Ų5164 Ų6435%0.34533%0.333SS..Hα-helixtrans-58.3-41.2176-65.70000112.5F34 I35 I36 H42F34-C38 PolarHBondContact O-N 2.89Å; F34-C38 VanDerWaalsContact O-N 3.1Å; F34-C38 PolarHBondContact O-SG 3.34Å; F34-C38 VanDerWaalsContact O-SG 3.37Å; I35-C38 PolarHBondContact O-N 3.18Å; I36-C38 PolarHBondContact O-N 2.95Å; C38-H42 PolarHBondContact O-CD2 3.48Å; C38-H42 VanDerWaalsContact O-CD2 3.23Å; C38-H42 PolarHBondContact O-N 2.85Å
39I96.3Very high94.6Very high87 Ų8766.4 Ų66.445%0.44634%0.338SS..Hα-helixtrans-65.5-46177.7-67.4167.4000110.6I35 I36 E37 I41 H42 L43I35-I39 HydrophobicContact CG2-CD1 3.95Å; I35-I39 WeakPolarHBondContact O-CG1 3.08Å; I35-I39 PolarHBondContact O-N 2.99Å; I35-I39 VanDerWaalsContact O-N 3.11Å; I36-I39 PolarHBondContact O-N 3.45Å; I36-I39 VanDerWaalsContact O-N 3.16Å; E37-I39 VanDerWaalsContact C-N 3.3Å; E37-I39 PolarHBondContact O-N 3.2Å; I39-I41 PolarHBondContact O-N 3.14Å; I39-H42 PolarHBondContact O-N 3.17Å; I39-L43 HydrophobicContact CG2-CD1 3.59Å; I39-L43 HydrophobicContact CG2-CG 4.2Å; I39-L43 WeakPolarHBondContact O-CB 3.43Å; I39-L43 WeakPolarHBondContact O-CG 3.21Å; I39-L43 PolarHBondContact O-N 3.38Å
40L95.2Very high94.3Very high42 Ų4267.6 Ų67.622%0.2234%0.342CS..Hα-helixtrans-66.8-35.3-179.2-70.3175.9000112.5I36 E37 H42 L43 V44 V45 S174 P178I36-L40 HydrophobicContact CG2-CD1 3.68Å; I36-L40 HydrophobicContact CG2-CG 4.12Å; I36-L40 WeakPolarHBondContact O-CG 3.2Å; I36-L40 PolarHBondContact O-N 3.36Å; E37-L40 PolarHBondContact O-N 3.41Å; L40-H42 VanDerWaalsContact C-N 3.31Å; L40-H42 PolarHBondContact O-N 3.41Å; L40-L43 PolarHBondContact O-N 2.9Å; L40-V44 HydrophobicContact CD2-CG2 4.22Å; L40-V44 WeakPolarHBondContact O-CA 3.25Å; L40-V44 WeakPolarHBondContact O-CB 3.32Å; L40-V44 PolarHBondContact O-N 3.19Å; L40-V45 PolarHBondContact O-N 3.21Å; L40-S174 VanDerWaalsContact CD1-O 3.3Å; L40-S174 WeakPolarHBondContact CD1-O 2.99Å; L40-P178 HydrophobicContact CD1-CG 4.03Å
41I94.2Very high94.1Very high69 Ų6966 Ų6635%0.35433%0.334SS..Iπ-helixtrans-56.7-48172.6-72.7166.9000110.4E37 I39 V45 Q46E37-I41 HydrophobicContact CG-CD1 3.99Å; E37-I41 VanDerWaalsContact O-CG1 3.27Å; E37-I41 WeakPolarHBondContact O-CG1 3.18Å; E37-I41 PolarHBondContact O-N 3.22Å; I39-I41 PolarHBondContact O-N 3.14Å; I41-V45 HydrophobicContact CG1-CG2 4.33Å; I41-V45 WeakPolarHBondContact O-CB 3.04Å; I41-V45 PolarHBondContact O-N 3.32Å; I41-Q46 PolarHBondContact O-N 3.43Å
42H92.6Very high93.9Very high124 Ų12464.8 Ų64.857%0.57433%0.329SS*.Iπ-helixtrans-71.1-37.1179.5-75.1-58.1000113.8C38 I39 L40 Q46 P47C38-H42 PolarHBondContact O-CD2 3.48Å; C38-H42 VanDerWaalsContact O-CD2 3.23Å; C38-H42 PolarHBondContact O-N 2.85Å; I39-H42 PolarHBondContact O-N 3.17Å; L40-H42 VanDerWaalsContact C-N 3.31Å; L40-H42 PolarHBondContact O-N 3.41Å; H42-Q46 PolarHBondContact ND1-OE1 3.47Å; H42-P47 WeakPolarHBondContact O-CD 3.39Å
43L91.5Very high93.6Very high109 Ų10962.7 Ų62.757%0.57132%0.318SS*.Iπ-helixtrans-89.2-22.2-173.4-66.1-176.7000114.8I39 L40 P47 Y166I39-L43 HydrophobicContact CG2-CD1 3.59Å; I39-L43 HydrophobicContact CG2-CG 4.2Å; I39-L43 WeakPolarHBondContact O-CB 3.43Å; I39-L43 WeakPolarHBondContact O-CG 3.21Å; I39-L43 PolarHBondContact O-N 3.38Å; L40-L43 PolarHBondContact O-N 2.9Å; L43-P47 WeakPolarHBondContact O-CG 3.45Å; L43-Y166 PolarHBondContact O-OH 2.9Å
44V92.9Very high93.5Very high22 Ų2262.3 Ų62.313%0.13332%0.316CS..Iπ-helixtrans-125.1-53.3-174.1-174.30000111.4L40 P47 Y48 Y166 V171L40-V44 HydrophobicContact CD2-CG2 4.22Å; L40-V44 WeakPolarHBondContact O-CA 3.25Å; L40-V44 WeakPolarHBondContact O-CB 3.32Å; L40-V44 PolarHBondContact O-N 3.19Å; V44-P47 WeakPolarHBondContact O-CD 3.35Å; V44-P47 WeakPolarHBondContact O-CG 3.4Å; V44-Y48 WeakPolarHBondContact O-CB 3.34Å; V44-Y48 PolarHBondContact O-N 3.39Å; V44-Y166 HydrophobicContact CB-CE1 4.46Å; V44-Y166 HydrophobicContact CG1-CD1 3.98Å; V44-Y166 HydrophobicContact CG1-CE1 4.21Å; V44-V171 HydrophobicContact CG1-CG2 4.26Å
45V91.9Very high93.3Very high15 Ų1559.8 Ų59.89%0.09131%0.311CS..Iπ-helixtrans-69-48.9-171.8-1770000111.2L40 I41 Y48 F49 V171 I175L40-V45 PolarHBondContact O-N 3.21Å; I41-V45 HydrophobicContact CG1-CG2 4.33Å; I41-V45 WeakPolarHBondContact O-CB 3.04Å; I41-V45 PolarHBondContact O-N 3.32Å; V45-Y48 WeakPolarHBondContact O-CB 3.42Å; V45-Y48 PolarHBondContact O-N 3.24Å; V45-F49 HydrophobicContact CG1-CD2 3.87Å; V45-F49 HydrophobicContact CG1-CE2 3.49Å; V45-F49 VanDerWaalsContact CG1-CE2 3.49Å; V45-F49 WeakPolarHBondContact O-CD2 3.3Å; V45-F49 PolarHBondContact O-N 2.87Å; V45-V171 HydrophobicContact CG2-CG1 4.35Å; V45-I175 HydrophobicContact CG1-CD1 4.44Å; V45-I175 HydrophobicContact CG2-CD1 3.77Å; V45-I175 HydrophobicContact CG2-CG1 3.87Å
46Q91.6Very high93.3Very high92 Ų9260.6 Ų60.643%0.4331%0.313SS..Hα-helixtrans-59.6-52.1177.4-176-178.2-3400113.1I41 H42 Y48 F49 H50I41-Q46 PolarHBondContact O-N 3.43Å; H42-Q46 PolarHBondContact ND1-OE1 3.47Å; Q46-Y48 VanDerWaalsContact C-N 3.29Å; Q46-Y48 PolarHBondContact O-N 2.92Å; Q46-F49 PolarHBondContact O-N 2.93Å; Q46-H50 PolarHBondContact O-N 3.48Å
47P91.1Very high93.2Very high14 Ų1458.2 Ų58.29%0.09130%0.302CS..Hα-helixtrans-65.6-31.5177.522.7-31.5000112.8H42 L43 V44 F49 H50 E51 Y166H42-P47 WeakPolarHBondContact O-CD 3.39Å; L43-P47 WeakPolarHBondContact O-CG 3.45Å; V44-P47 WeakPolarHBondContact O-CD 3.35Å; V44-P47 WeakPolarHBondContact O-CG 3.4Å; P47-F49 PolarHBondContact O-N 3.36Å; P47-H50 PolarHBondContact O-N 3.05Å; P47-E51 VanDerWaalsContact O-CB 3.29Å; P47-E51 WeakPolarHBondContact O-CB 3.31Å; P47-E51 PolarHBondContact O-N 3.4Å; P47-Y166 HydrophobicContact CB-CD2 4.25Å; P47-Y166 HydrophobicContact CB-CE2 3.7Å; P47-Y166 HydrophobicContact CG-CE1 4.03Å; P47-Y166 HydrophobicContact CG-CE2 4.03Å
48Y93Very high93.2Very high50 Ų5061.6 Ų61.620%0.19632%0.321CS..Hα-helixtrans-58.9-45.8171.5170.6-100.1000112.1V44 V45 Q46 H50 E51 S52 Y166 V171V44-Y48 WeakPolarHBondContact O-CB 3.34Å; V44-Y48 PolarHBondContact O-N 3.39Å; V45-Y48 WeakPolarHBondContact O-CB 3.42Å; V45-Y48 PolarHBondContact O-N 3.24Å; Q46-Y48 VanDerWaalsContact C-N 3.29Å; Q46-Y48 PolarHBondContact O-N 2.92Å; Y48-H50 VanDerWaalsContact C-N 3.33Å; Y48-H50 PolarHBondContact O-N 2.98Å; Y48-E51 CarbonylContact O-C 3.55Å; Y48-E51 PolarHBondContact O-N 3.23Å; Y48-S52 VanDerWaalsContact O-CB 3.28Å; Y48-S52 WeakPolarHBondContact O-CB 3.28Å; Y48-S52 PolarHBondContact O-N 2.69Å; Y48-Y166 WeakPolarHBondContact CD2-O 3.43Å; Y48-V171 HydrophobicContact CD1-CG2 3.64Å; Y48-V171 HydrophobicContact CD2-CG2 3.69Å; Y48-V171 HydrophobicContact CE1-CG2 4.22Å; Y48-V171 HydrophobicContact CE2-CG2 4.27Å; Y48-V171 HydrophobicContact CG-CG2 3.32Å
49F91.2Very high93.2Very high126 Ų12659.2 Ų59.255%0.55331%0.305SS*.Hα-helixtrans-60.8-43178.2-81.3-64.4000111.9V45 Q46 P47 S52V45-F49 HydrophobicContact CG1-CD2 3.87Å; V45-F49 HydrophobicContact CG1-CE2 3.49Å; V45-F49 VanDerWaalsContact CG1-CE2 3.49Å; V45-F49 WeakPolarHBondContact O-CD2 3.3Å; V45-F49 PolarHBondContact O-N 2.87Å; Q46-F49 PolarHBondContact O-N 2.93Å; P47-F49 PolarHBondContact O-N 3.36Å; F49-S52 PolarHBondContact O-N 3.08Å; F49-S52 PolarHBondContact O-OG 3.47Å
50H90.3Very high93.2Very high87 Ų8755.8 Ų55.840%0.40329%0.288SS..Hα-helixtrans-63.5-42.8175.2-65.1179.2000112Q46 P47 Y48 S52 A53 F54 I108Q46-H50 PolarHBondContact O-N 3.48Å; P47-H50 PolarHBondContact O-N 3.05Å; Y48-H50 VanDerWaalsContact C-N 3.33Å; Y48-H50 PolarHBondContact O-N 2.98Å; H50-S52 VanDerWaalsContact C-N 3.32Å; H50-S52 PolarHBondContact O-N 3.31Å; H50-A53 PolarHBondContact O-N 2.97Å; H50-F54 WeakPolarHBondContact O-CD2 3.46Å; H50-F54 WeakPolarHBondContact O-CE2 3.21Å; H50-I108 HydrophobicContact CB-CD1 4Å; H50-I108 HydrophobicContact CB-CG1 4.28Å
51E92.6Very high93.3Very high1 Ų155.1 Ų55.11%0.00528%0.283CS..Hα-helixtrans-70-28.4179.4-155.7-171.9-115.600112.3P47 Y48 A53 F54 I108 L161 K164 F165 Y166P47-E51 VanDerWaalsContact O-CB 3.29Å; P47-E51 WeakPolarHBondContact O-CB 3.31Å; P47-E51 PolarHBondContact O-N 3.4Å; Y48-E51 CarbonylContact O-C 3.55Å; Y48-E51 PolarHBondContact O-N 3.23Å; E51-A53 VanDerWaalsContact C-N 3.25Å; E51-A53 PolarHBondContact O-N 3.05Å; E51-F54 PolarHBondContact O-N 3.24Å; E51-F54 VanDerWaalsContact O-N 3.15Å; E51-I108 HydrophobicContact CB-CB 4.3Å; E51-I108 HydrophobicContact CB-CG1 4.23Å; E51-I108 HydrophobicContact CB-CG2 4.45Å; E51-I108 HydrophobicContact CG-CB 4.12Å; E51-I108 HydrophobicContact CG-CG2 4.32Å; E51-L161 HydrophobicContact CG-CD1 4.11Å; E51-K164 HydrophobicContact CG-CB 4.15Å; E51-K164 HydrophobicContact CG-CD 4.26Å; E51-K164 HydrophobicContact CG-CG 3.77Å; E51-K164 WeakPolarHBondContact O-CE 3.48Å; E51-K164 PolarHBondContact O-NZ 2.81Å; E51-K164 VanDerWaalsContact OE1-CA 3.28Å; E51-K164 WeakPolarHBondContact OE1-CA 3.47Å; E51-K164 WeakPolarHBondContact OE2-CB 3.35Å; E51-F165 PolarHBondContact OE1-N 3.15Å; E51-F165 PolarHBondContact OE2-N 2.91Å; E51-Y166 WeakPolarHBondContact OE2-CB 3.29Å; E51-Y166 PolarHBondContact OE2-N 3.28Å
52S91.8Very high93.4Very high56 Ų5654.8 Ų54.839%0.39228%0.284SS..Hα-helixtrans-66.2-25.4179.676.70000113.3Y48 F49 H50 F54Y48-S52 VanDerWaalsContact O-CB 3.28Å; Y48-S52 WeakPolarHBondContact O-CB 3.28Å; Y48-S52 PolarHBondContact O-N 2.69Å; F49-S52 PolarHBondContact O-N 3.08Å; F49-S52 PolarHBondContact O-OG 3.47Å; H50-S52 VanDerWaalsContact C-N 3.32Å; H50-S52 PolarHBondContact O-N 3.31Å; S52-F54 PolarHBondContact O-N 3.42Å
53A92.1Very high93.6Very high25 Ų2552.9 Ų52.921%0.20728%0.275CS..THydrogen-bonded Turntrans-69.5-7.7174.900000113.6H50 E51 T154H50-A53 PolarHBondContact O-N 2.97Å; E51-A53 VanDerWaalsContact C-N 3.25Å; E51-A53 PolarHBondContact O-N 3.05Å; A53-T154 VanDerWaalsContact O-CG2 3.32Å; A53-T154 WeakPolarHBondContact O-CG2 3.36Å; A53-T154 PolarHBondContact O-N 2.9Å; A53-T154 PolarHBondContact O-OG1 3.33Å
54F94.2Very high93.9Very high3 Ų348.5 Ų48.51%0.01326%0.255CS..EExtended strand (participates in β ladder)trans-97.3120.5177.7-65.1-101.1000111.5H50 E51 S52 I108 Y111 I152 H153 L161 K164H50-F54 WeakPolarHBondContact O-CD2 3.46Å; H50-F54 WeakPolarHBondContact O-CE2 3.21Å; E51-F54 PolarHBondContact O-N 3.24Å; E51-F54 VanDerWaalsContact O-N 3.15Å; S52-F54 PolarHBondContact O-N 3.42Å; F54-I108 HydrophobicContact CE2-CD1 4.02Å; F54-Y111 HydrophobicContact CZ-CE1 4.41Å; F54-Y111 HydrophobicContact CZ-CE2 4.21Å; F54-I152 CarbonylContact C-O 3.57Å; F54-I152 VanDerWaalsContact CA-O 3.25Å; F54-I152 WeakPolarHBondContact CA-O 3.33Å; F54-H153 HydrophobicContact CD1-CB 3.82Å; F54-H153 HydrophobicContact CE1-CB 3.56Å; F54-H153 AromaticContact CE2-CD2 3.69Å; F54-H153 HydrophobicContact CG-CB 4.45Å; F54-H153 HydrophobicContact CZ-CB 3.98Å; F54-H153 AromaticContact CZ-CD2 3.51Å; F54-L161 HydrophobicContact CB-CD1 4.3Å; F54-L161 HydrophobicContact CD1-CB 4.38Å; F54-L161 HydrophobicContact CD1-CD1 3.88Å; F54-L161 HydrophobicContact CD1-CG 3.66Å; F54-L161 HydrophobicContact CD2-CD1 3.67Å; F54-L161 HydrophobicContact CD2-CG 4.34Å; F54-L161 HydrophobicContact CE1-CD1 4.02Å; F54-L161 HydrophobicContact CE1-CD2 4.29Å; F54-L161 HydrophobicContact CE1-CG 3.62Å; F54-L161 HydrophobicContact CE2-CD1 3.83Å; F54-L161 HydrophobicContact CE2-CG 4.32Å; F54-L161 HydrophobicContact CG-CD1 3.69Å; F54-L161 HydrophobicContact CG-CG 4.03Å; F54-L161 HydrophobicContact CZ-CD1 3.99Å; F54-L161 HydrophobicContact CZ-CD2 4.37Å; F54-L161 HydrophobicContact CZ-CG 3.96Å; F54-K164 PolarHBondContact O-NZ 2.84Å
55T93Very high94.1Very high76 Ų7651.2 Ų51.247%0.46627%0.266SS..EExtended strand (participates in β ladder)trans-100.2144.7-17951.50000111.9Y151 I152 T154T55-Y151 CarbonylContact O-C 3.43Å; T55-Y151 WeakPolarHBondContact O-CA 3.25Å; T55-I152 PolarHBondContact N-O 3.26Å; T55-I152 PolarHBondContact O-N 2.88Å; T55-I152 PolarHBondContact OG1-O 2.92Å; T55-T154 HydrophobicContact CG2-CG2 3.55Å
56H94.6Very high94.4Very high114 Ų11454.9 Ų54.953%0.52828%0.279SS..EExtended strand (participates in β ladder)trans-68.1135.1-175.9178.4-84.8000113.1Q149 Y151H56-Q149 PolarHBondContact CE1-OE1 2.86Å; H56-Q149 PolarHBondContact NE2-OE1 3.49Å; H56-Y151 HydrophobicContact CB-CD1 4.03Å; H56-Y151 HydrophobicContact CB-CE1 3.99Å; H56-Y151 AromaticContact CD2-CE1 3.91Å
57T94.5Very high94.7Very high33 Ų3353.7 Ų53.720%0.20228%0.278CS..EExtended strand (participates in β ladder)trans-155.5179.5171.1-163.80000111.6Y93 Q149 C150 I152T57-Y93 HydrophobicContact CG2-CD2 4.26Å; T57-Y93 HydrophobicContact CG2-CG 4.33Å; T57-Q149 PolarHBondContact O-OE1 2.9Å; T57-C150 VanDerWaalsContact CG2-SG 3.5Å; T57-C150 PolarHBondContact N-O 3.49Å; T57-C150 PolarHBondContact O-N 3.02Å; T57-I152 HydrophobicContact CG2-CD1 4.16Å; T57-I152 HydrophobicContact CG2-CG1 3.41Å; T57-I152 VanDerWaalsContact CG2-CG1 3.41Å
58N95.8Very high94.9Very high98 Ų9859.8 Ų59.852%0.52430%0.299SS..EExtended strand (participates in β ladder)trans-96.6126.3171.7-65.5-64.5000110.7Y93 Q149N58-Y93 WeakPolarHBondContact O-CB 3.49Å; N58-Q149 PolarHBondContact OD1-NE2 2.77Å; N58-Q149 PolarHBondContact OD1-OE1 3.11Å
59C96.7Very high94.9Very high0 Ų065.3 Ų65.30%032%0.324CS..EExtended strand (participates in β ladder)trans-105.2154.4171.7-75.60000110.9V91 Q92 F148 C150C59-V91 HydrophobicContact CB-CB 4.12Å; C59-V91 HydrophobicContact CB-CG2 4.11Å; C59-Q92 CarbonylContact C-O 3.51Å; C59-Q92 WeakPolarHBondContact CA-O 3.19Å; C59-F148 HydrophobicContact CB-CD2 4.33Å; C59-F148 HydrophobicContact CB-CE2 3.95Å; C59-F148 HydrophobicContact CB-CZ 4.33Å; C59-F148 PolarHBondContact N-O 3.02Å; C59-F148 PolarHBondContact O-N 2.92Å; C59-C150 HydrophobicContact CB-CB 3.65Å; C59-C150 WeakPolarHBondContact CB-SG 3.41Å; C59-C150 PolarHBondContact N-SG 2.7Å; C59-C150 WeakPolarHBondContact SG-CB 3.37Å; C59-C150 CovalentContact SG-SG 2.01Å; C59-C150 PolarHBondContact SG-SG 3.45Å
60T96.6Very high95Very high16 Ų1663.8 Ų63.810%0.09832%0.322CS..EExtended strand (participates in β ladder)trans-124.9137.1169.242.30000111.5V62 V91 Q92 H146 Y147T60-V62 PolarHBondContact O-N 3.48Å; T60-V91 CarbonylContact O-C 3.51Å; T60-V91 WeakPolarHBondContact O-CA 3.29Å; T60-V91 VanDerWaalsContact O-CB 3.29Å; T60-V91 WeakPolarHBondContact O-CB 3.28Å; T60-Q92 PolarHBondContact N-O 3.27Å; T60-Q92 PolarHBondContact O-N 2.96Å; T60-Q92 WeakPolarHBondContact OG1-CG 3.44Å; T60-Q92 PolarHBondContact OG1-NE2 3.26Å; T60-Q92 PolarHBondContact OG1-O 3.27Å; T60-H146 CarbonylContact C-O 3.47Å; T60-H146 WeakPolarHBondContact CA-O 3.4Å; T60-Y147 HydrophobicContact CG2-CD1 3.03Å; T60-Y147 HydrophobicContact CG2-CD2 4.3Å; T60-Y147 HydrophobicContact CG2-CE1 3.05Å; T60-Y147 HydrophobicContact CG2-CE2 4.33Å; T60-Y147 HydrophobicContact CG2-CG 3.67Å
61F97.4Very high95.2Very high27 Ų2760 Ų6012%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-65.7130.2175.9177.5-102.2000110.5H63 A64 V89 I142 K143 H146 F148F61-H63 VanDerWaalsContact CZ-C 3.44Å; F61-H63 VanDerWaalsContact CZ-CA 3.42Å; F61-A64 HydrophobicContact CE2-CB 3.87Å; F61-A64 HydrophobicContact CZ-CB 4.1Å; F61-V89 HydrophobicContact CD2-CG1 4.22Å; F61-V89 HydrophobicContact CE2-CG1 4.23Å; F61-I142 HydrophobicContact CD2-CG2 3.61Å; F61-I142 HydrophobicContact CE2-CG2 4.15Å; F61-I142 HydrophobicContact CG-CG2 4.43Å; F61-K143 HydrophobicContact CE1-CG 3.82Å; F61-K143 HydrophobicContact CE2-CG 4.14Å; F61-K143 HydrophobicContact CZ-CD 4.48Å; F61-K143 HydrophobicContact CZ-CG 3.55Å; F61-H146 PolarHBondContact N-O 3.26Å; F61-F148 HydrophobicContact CB-CE1 4.31Å
62V96.6Very high95.2Very high62 Ų6266.4 Ų66.438%0.37633%0.333SS..EExtended strand (participates in β ladder)trans-104.6-62.5172.5-177.20000109.4T60 I90 Q92T60-V62 PolarHBondContact O-N 3.48Å; V62-I90 HydrophobicContact CB-CG2 4.29Å; V62-I90 WeakPolarHBondContact CB-O 3.36Å; V62-I90 PolarHBondContact N-O 3.41Å; V62-Q92 HydrophobicContact CG2-CB 3.89Å; V62-Q92 HydrophobicContact CG2-CG 3.84Å
63H96.9Very high95.1Very high84 Ų8463.9 Ų63.939%0.38932%0.315SS..EExtended strand (participates in β ladder)trans-161.5167178.768.6-82.1000111.6F61 H65 I90F61-H63 VanDerWaalsContact CZ-C 3.44Å; F61-H63 VanDerWaalsContact CZ-CA 3.42Å; H63-H65 AromaticContact CD2-ND1 3.68Å; H63-H65 AromaticContact NE2-ND1 3.69Å; H63-I90 PolarHBondContact N-O 3.34Å; H63-I90 PolarHBondContact O-N 2.66Å
64A97.6Very high94.7Very high18 Ų1868 Ų6815%0.14933%0.33CS..EExtended strand (participates in β ladder)trans-144.1139.7173.900000111.2F61 L87 K88 V89 Q139F61-A64 HydrophobicContact CE2-CB 3.87Å; F61-A64 HydrophobicContact CZ-CB 4.1Å; A64-L87 HydrophobicContact CB-CD1 4.05Å; A64-L87 HydrophobicContact CB-CG 4.42Å; A64-K88 VanDerWaalsContact CA-O 3.23Å; A64-K88 WeakPolarHBondContact CA-O 3.4Å; A64-V89 HydrophobicContact CB-CB 4.49Å; A64-V89 HydrophobicContact CB-CG2 3.92Å; A64-Q139 HydrophobicContact CB-CG 4.32Å
65H97.4Very high93.9Very high79 Ų7970.7 Ų70.737%0.36634%0.344SS..EExtended strand (participates in β ladder)trans-144.7155.2-178.763.7-90.6000111.3H63 K88H63-H65 AromaticContact CD2-ND1 3.68Å; H63-H65 AromaticContact NE2-ND1 3.69Å; H65-K88 PolarHBondContact N-O 3.17Å; H65-K88 PolarHBondContact O-N 2.69Å
66Y97.7Very high93Very high92 Ų9276.5 Ų76.536%0.36136%0.363SS..EExtended strand (participates in β ladder)trans-82.6121.5175.3-67.7-73.8000110.3P85 C86 L87 V135Y66-P85 HydrophobicContact CD1-CB 3.87Å; Y66-P85 HydrophobicContact CE1-CB 3.83Å; Y66-P85 HydrophobicContact CE1-CG 4.14Å; Y66-C86 CarbonylContact C-O 3.45Å; Y66-C86 WeakPolarHBondContact CA-O 3.35Å; Y66-L87 HydrophobicContact CD1-CB 4.28Å; Y66-L87 HydrophobicContact CD1-CD1 4.15Å; Y66-L87 HydrophobicContact CE1-CB 4.16Å; Y66-L87 HydrophobicContact CE1-CD1 3.98Å; Y66-V135 HydrophobicContact CE1-CG1 3.82Å
67V96.6Very high92Very high66 Ų6676.6 Ų76.640%0.438%0.375SS..EExtended strand (participates in β ladder)trans-85.4-38.7177.5-179.30000110.7C86 K88V67-C86 PolarHBondContact N-O 3.46Å; V67-K88 HydrophobicContact CG2-CB 3.47Å; V67-K88 VanDerWaalsContact CG2-CB 3.47Å; V67-K88 HydrophobicContact CG2-CD 4.15Å; V67-K88 HydrophobicContact CG2-CG 4.44Å
68R95.6Very high90.9Very high142 Ų14277.8 Ų77.854%0.53639%0.385SS..EExtended strand (participates in β ladder)trans-147.6136.1-178.4-174166.6177.3162.810.1109.8D70 V71 C86R68-D70 PolarHBondContact NE-O 2.77Å; R68-V71 HydrophobicContact CB-CG2 4.05Å; R68-V71 HydrophobicContact CG-CG2 4.03Å; R68-C86 HydrophobicContact CB-CB 4.16Å; R68-C86 PolarHBondContact O-N 3.35Å
69K94.4Very high89.8Confident167 Ų16782.9 Ų82.973%0.72640%0.403SS*.EExtended strand (participates in β ladder)trans-76.3-34.7-178-66.6-175.5176.9-176.20113.4P85K69-P85 WeakPolarHBondContact O-CA 3.14Å
70D92.1Very high89Confident93 Ų9390.1 Ų90.150%0.49744%0.441SS..EExtended strand (participates in β ladder)trans-130.788.6-172.2-62.4-57000110.5R68 K83R68-D70 PolarHBondContact NE-O 2.77Å; D70-K83 HydrophobicContact CB-CD 4.07Å
71V94.6Very high88.4Confident7 Ų793.4 Ų93.44%0.04245%0.452CS..EExtended strand (participates in β ladder)trans-95.8123.9167.1177.90000108.2R68 C73 K83 F84 C86 Y114 L117R68-V71 HydrophobicContact CB-CG2 4.05Å; R68-V71 HydrophobicContact CG-CG2 4.03Å; V71-C73 PolarHBondContact O-N 2.91Å; V71-K83 CarbonylContact O-C 3.45Å; V71-K83 WeakPolarHBondContact O-CA 3.29Å; V71-F84 HydrophobicContact CB-CD1 4.31Å; V71-F84 HydrophobicContact CB-CE1 3.96Å; V71-F84 HydrophobicContact CB-CE2 4.25Å; V71-F84 HydrophobicContact CB-CZ 3.92Å; V71-F84 HydrophobicContact CG1-CD1 4.47Å; V71-F84 HydrophobicContact CG1-CE1 3.67Å; V71-F84 HydrophobicContact CG1-CE2 4.39Å; V71-F84 HydrophobicContact CG1-CZ 3.63Å; V71-F84 PolarHBondContact N-O 3.21Å; V71-F84 WeakPolarHBondContact O-CD1 3.14Å; V71-F84 PolarHBondContact O-N 2.95Å; V71-C86 HydrophobicContact CG2-CB 3.66Å; V71-Y114 HydrophobicContact CG1-CD1 4.12Å; V71-Y114 HydrophobicContact CG1-CE1 3.86Å; V71-L117 HydrophobicContact CG1-CD1 3.99Å; V71-L117 HydrophobicContact CG2-CD1 4Å
72K92Very high88.1Confident137 Ų13793 Ų9360%0.59645%0.452SS*.EExtended strand (participates in β ladder)trans-70.1130.8176-65.9-176.3-179.9-176.60109K83K72-K83 HydrophobicContact CG-CG 4.28Å
73C90.9Very high88Confident3 Ų393.5 Ų93.52%0.0245%0.45CS..PPolyproline II helixtrans-60.8145.3168.2-78.50000110.9V71 N75 R81 S82 F84 C124V71-C73 PolarHBondContact O-N 2.91Å; C73-N75 PolarHBondContact O-N 3.2Å; C73-R81 WeakPolarHBondContact O-CD 3.36Å; C73-S82 WeakPolarHBondContact CB-O 3.29Å; C73-S82 PolarHBondContact N-O 3.15Å; C73-F84 VanDerWaalsContact SG-CD1 3.59Å; C73-C124 HydrophobicContact CB-CB 3.69Å; C73-C124 WeakPolarHBondContact CB-SG 3.35Å; C73-C124 WeakPolarHBondContact SG-CA 3.24Å; C73-C124 WeakPolarHBondContact SG-CB 3.42Å; C73-C124 CovalentContact SG-SG 2.04Å; C73-C124 PolarHBondContact SG-SG 3.46Å
74E83.2Confident87.9Confident111 Ų11189.6 Ų89.652%0.51943%0.432SS..PPolyproline II helixtrans-78.1117.8171.7-173.461-171.600109.8R81 Y114E74-R81 IonicContact OE2-CZ 3.8Å; E74-R81 IonicContact OE2-NH1 2.87Å; E74-R81 PolarHBondContact OE2-NH1 2.88Å; E74-Y114 PolarHBondContact N-OH 3.23Å
75N77.6Confident87.9Confident59 Ų5989.4 Ų89.432%0.31643%0.429SS..  trans-144.6127.8174.8-175.7-1000109.1C73 C77 R81C73-N75 PolarHBondContact O-N 3.2Å; N75-C77 WeakPolarHBondContact OD1-CB 3.13Å; N75-C77 PolarHBondContact OD1-N 2.92Å; N75-R81 HydrophobicContact CB-CG 4.4Å; N75-R81 VanDerWaalsContact O-CZ 3.24Å; N75-R81 PolarHBondContact O-NE 2.89Å; N75-R81 PolarHBondContact O-NH2 3.24Å
76K73.2Confident87.9Confident198 Ų19885.6 Ų85.686%0.86141%0.411SS*.SBendtrans-83.4-16.9177.1-65.7-175.7179.5-179.90113.1
77C74Confident88Confident116 Ų11681.2 Ų81.278%0.78439%0.394SS*.SBendtrans-94.4-24.7-169.7-56.80000114.1N75N75-C77 WeakPolarHBondContact OD1-CB 3.13Å; N75-C77 PolarHBondContact OD1-N 2.92Å
78S72.1Confident88Confident59 Ų5980.4 Ų80.441%0.41339%0.385SS..  trans-131.3138.4-171.9-55.30000113R81S78-R81 WeakPolarHBondContact O-CG 2.95Å
79K72.5Confident88.1Confident204 Ų20473.7 Ų73.789%0.88736%0.36SS*.SBendtrans-72.3-39.2173.1-170.4-179.5179.4-1770111.6R81K79-R81 PolarHBondContact O-N 3.01Å
80D79.2Confident88.3Confident153 Ų15366.7 Ų66.782%0.81833%0.33SS*.SBendtrans-83.394.3171.2-67.2-37.6000109.1
81R84Confident88.5Confident84 Ų8462.2 Ų62.232%0.31731%0.306SS..  trans-92.7132.6177.8-54.7-175.9-174.9-173.6-7.9108.6C73 E74 N75 S78 K79C73-R81 WeakPolarHBondContact O-CD 3.36Å; E74-R81 IonicContact OE2-CZ 3.8Å; E74-R81 IonicContact OE2-NH1 2.87Å; E74-R81 PolarHBondContact OE2-NH1 2.88Å; N75-R81 HydrophobicContact CB-CG 4.4Å; N75-R81 VanDerWaalsContact O-CZ 3.24Å; N75-R81 PolarHBondContact O-NE 2.89Å; N75-R81 PolarHBondContact O-NH2 3.24Å; S78-R81 WeakPolarHBondContact O-CG 2.95Å; K79-R81 PolarHBondContact O-N 3.01Å
82S92Very high88.6Confident18 Ų1864.7 Ų64.713%0.12632%0.317CS..  trans-61.7159.9168.958.40000110.6C73 H125 D128C73-S82 WeakPolarHBondContact CB-O 3.29Å; C73-S82 PolarHBondContact N-O 3.15Å; S82-H125 WeakPolarHBondContact CB-O 2.94Å; S82-H125 PolarHBondContact OG-O 2.76Å; S82-D128 WeakPolarHBondContact CA-OD1 3.3Å; S82-D128 WeakPolarHBondContact CB-OD1 3.36Å
83K94.1Very high88.7Confident74 Ų7458.7 Ų58.732%0.32229%0.291SS..EExtended strand (participates in β ladder)trans-126.3156.8-176-54.8174.6-159156.10110.1D70 V71 K72 D128 N131D70-K83 HydrophobicContact CB-CD 4.07Å; V71-K83 CarbonylContact O-C 3.45Å; V71-K83 WeakPolarHBondContact O-CA 3.29Å; K72-K83 HydrophobicContact CG-CG 4.28Å; K83-D128 PolarHBondContact N-OD1 3.48Å; K83-N131 WeakPolarHBondContact O-CB 3.41Å; K83-N131 PolarHBondContact O-ND2 3.46Å
84F96.1Very high88.8Confident2 Ų263.4 Ų63.41%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-140151.7174.868.9-85000110.8V71 C73 Y114 C119 N131V71-F84 HydrophobicContact CB-CD1 4.31Å; V71-F84 HydrophobicContact CB-CE1 3.96Å; V71-F84 HydrophobicContact CB-CE2 4.25Å; V71-F84 HydrophobicContact CB-CZ 3.92Å; V71-F84 HydrophobicContact CG1-CD1 4.47Å; V71-F84 HydrophobicContact CG1-CE1 3.67Å; V71-F84 HydrophobicContact CG1-CE2 4.39Å; V71-F84 HydrophobicContact CG1-CZ 3.63Å; V71-F84 PolarHBondContact N-O 3.21Å; V71-F84 WeakPolarHBondContact O-CD1 3.14Å; V71-F84 PolarHBondContact O-N 2.95Å; C73-F84 VanDerWaalsContact SG-CD1 3.59Å; F84-Y114 AromaticContact CE1-CE1 3.86Å; F84-Y114 HydrophobicContact CE1-CE1 3.86Å; F84-Y114 HydrophobicContact CE1-CE2 4.31Å; F84-Y114 AromaticContact CE1-CZ 3.7Å; F84-Y114 AromaticContact CZ-CD1 3.94Å; F84-Y114 HydrophobicContact CZ-CD1 3.94Å; F84-Y114 HydrophobicContact CZ-CD2 4.24Å; F84-Y114 AromaticContact CZ-CE1 3.66Å; F84-Y114 HydrophobicContact CZ-CE1 3.66Å; F84-Y114 AromaticContact CZ-CE2 4Å; F84-Y114 HydrophobicContact CZ-CE2 4Å; F84-Y114 HydrophobicContact CZ-CG 4.21Å; F84-Y114 AromaticContact CZ-CZ 3.69Å; F84-C119 HydrophobicContact CE2-CB 4.28Å; F84-N131 HydrophobicContact CB-CB 3.74Å
85P97.3Very high89Confident13 Ų1361.9 Ų61.98%0.08431%0.311CS..EExtended strand (participates in β ladder)trans-75.5128.1171.630.6-33.7000110.7Y66 K69 L87 T132 V135Y66-P85 HydrophobicContact CD1-CB 3.87Å; Y66-P85 HydrophobicContact CE1-CB 3.83Å; Y66-P85 HydrophobicContact CE1-CG 4.14Å; K69-P85 WeakPolarHBondContact O-CA 3.14Å; P85-L87 PolarHBondContact O-N 3.06Å; P85-T132 HydrophobicContact CG-CG2 4.28Å; P85-V135 HydrophobicContact CG-CB 4.02Å; P85-V135 HydrophobicContact CG-CG1 4.17Å; P85-V135 HydrophobicContact CG-CG2 4.15Å
86C97.6Very high89.4Confident0 Ų061.8 Ų61.80%032%0.324CS..EExtended strand (participates in β ladder)trans-80.5103.7177.5-179.20000110.3Y66 V67 R68 V71 C119Y66-C86 CarbonylContact C-O 3.45Å; Y66-C86 WeakPolarHBondContact CA-O 3.35Å; V67-C86 PolarHBondContact N-O 3.46Å; R68-C86 HydrophobicContact CB-CB 4.16Å; R68-C86 PolarHBondContact O-N 3.35Å; V71-C86 HydrophobicContact CG2-CB 3.66Å; C86-C119 HydrophobicContact CB-CB 4.08Å; C86-C119 WeakPolarHBondContact CB-SG 3.45Å; C86-C119 WeakPolarHBondContact SG-CA 3.45Å; C86-C119 WeakPolarHBondContact SG-CB 3.35Å; C86-C119 CovalentContact SG-SG 2.04Å; C86-C119 PolarHBondContact SG-SG 2.84Å
87L98Very high90.1Very high0 Ų060.3 Ų60.30%033%0.325CS..EExtended strand (participates in β ladder)trans-88.7123.2171.8-177.977000109.6A64 Y66 P85 V89 A120 V135 F138 Q139A64-L87 HydrophobicContact CB-CD1 4.05Å; A64-L87 HydrophobicContact CB-CG 4.42Å; Y66-L87 HydrophobicContact CD1-CB 4.28Å; Y66-L87 HydrophobicContact CD1-CD1 4.15Å; Y66-L87 HydrophobicContact CE1-CB 4.16Å; Y66-L87 HydrophobicContact CE1-CD1 3.98Å; P85-L87 PolarHBondContact O-N 3.06Å; L87-V89 HydrophobicContact CD2-CG2 3.73Å; L87-V89 HydrophobicContact CG-CG2 3.99Å; L87-A120 VanDerWaalsContact O-CB 3.26Å; L87-A120 WeakPolarHBondContact O-CB 3.36Å; L87-A120 PolarHBondContact O-N 3.48Å; L87-V135 HydrophobicContact CB-CG1 3.56Å; L87-V135 HydrophobicContact CD2-CG1 4.21Å; L87-V135 HydrophobicContact CG-CG1 4.43Å; L87-F138 HydrophobicContact CD2-CD1 4.01Å; L87-Q139 HydrophobicContact CD1-CB 4.45Å; L87-Q139 HydrophobicContact CD1-CG 4.07Å; L87-Q139 HydrophobicContact CD2-CB 3.66Å; L87-Q139 HydrophobicContact CD2-CG 3.95Å
88K97.9Very high90.9Very high49 Ų4962 Ų6221%0.21332%0.319CS..EExtended strand (participates in β ladder)trans-95.7128.8167.3180173-72.5175.40108.9A64 H65 V67 I90 I103 G118A64-K88 VanDerWaalsContact CA-O 3.23Å; A64-K88 WeakPolarHBondContact CA-O 3.4Å; H65-K88 PolarHBondContact N-O 3.17Å; H65-K88 PolarHBondContact O-N 2.69Å; V67-K88 HydrophobicContact CG2-CB 3.47Å; V67-K88 VanDerWaalsContact CG2-CB 3.47Å; V67-K88 HydrophobicContact CG2-CD 4.15Å; V67-K88 HydrophobicContact CG2-CG 4.44Å; K88-I90 HydrophobicContact CD-CD1 4.13Å; K88-I90 HydrophobicContact CG-CD1 3.97Å; K88-I103 HydrophobicContact CD-CD1 4.38Å; K88-I103 HydrophobicContact CG-CG2 4.37Å; K88-G118 WeakPolarHBondContact CA-O 3.43Å; K88-G118 WeakPolarHBondContact CB-O 3.38Å
89V97.9Very high91.9Very high1 Ų164.4 Ų64.41%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-114.6126.1178.61780000108.2F61 A64 L87 V91 L104 A120 F138 I142F61-V89 HydrophobicContact CD2-CG1 4.22Å; F61-V89 HydrophobicContact CE2-CG1 4.23Å; A64-V89 HydrophobicContact CB-CB 4.49Å; A64-V89 HydrophobicContact CB-CG2 3.92Å; L87-V89 HydrophobicContact CD2-CG2 3.73Å; L87-V89 HydrophobicContact CG-CG2 3.99Å; V89-V91 HydrophobicContact CG1-CG1 4.12Å; V89-L104 HydrophobicContact CB-CB 4.18Å; V89-L104 HydrophobicContact CG1-CB 4.04Å; V89-L104 HydrophobicContact CG1-CD2 3.97Å; V89-L104 PolarHBondContact O-N 3.41Å; V89-A120 HydrophobicContact CB-CB 3.85Å; V89-A120 HydrophobicContact CG2-CB 3.55Å; V89-F138 HydrophobicContact CG2-CE1 4.13Å; V89-I142 HydrophobicContact CG1-CG2 4.01Å
90I97.4Very high93Very high19 Ų1956.9 Ų56.910%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-107126.2178-58.1-56.5000108.5V62 H63 K88 T101 V102 I103V62-I90 HydrophobicContact CB-CG2 4.29Å; V62-I90 WeakPolarHBondContact CB-O 3.36Å; V62-I90 PolarHBondContact N-O 3.41Å; H63-I90 PolarHBondContact N-O 3.34Å; H63-I90 PolarHBondContact O-N 2.66Å; K88-I90 HydrophobicContact CD-CD1 4.13Å; K88-I90 HydrophobicContact CG-CD1 3.97Å; I90-T101 HydrophobicContact CG2-CG2 3.18Å; I90-V102 WeakPolarHBondContact CA-O 3.4Å; I90-I103 HydrophobicContact CD1-CG1 3.82Å
91V97.1Very high93.7Very high0 Ų053.5 Ų53.50%028%0.281CS..EExtended strand (participates in β ladder)trans-123.8162176.4-59.10000109.7C59 T60 V89 T101 V102 L104 F148 A160C59-V91 HydrophobicContact CB-CB 4.12Å; C59-V91 HydrophobicContact CB-CG2 4.11Å; T60-V91 CarbonylContact O-C 3.51Å; T60-V91 WeakPolarHBondContact O-CA 3.29Å; T60-V91 VanDerWaalsContact O-CB 3.29Å; T60-V91 WeakPolarHBondContact O-CB 3.28Å; V89-V91 HydrophobicContact CG1-CG1 4.12Å; V91-T101 CarbonylContact O-C 3.5Å; V91-T101 WeakPolarHBondContact O-CA 3.19Å; V91-V102 HydrophobicContact CG2-CG2 3.4Å; V91-V102 PolarHBondContact N-O 3.09Å; V91-V102 PolarHBondContact O-N 2.04Å; V91-L104 HydrophobicContact CG1-CB 3.87Å; V91-L104 HydrophobicContact CG1-CD2 3.98Å; V91-L104 HydrophobicContact CG1-CG 4.37Å; V91-L104 HydrophobicContact CG2-CB 4.05Å; V91-L104 HydrophobicContact CG2-CD1 4.43Å; V91-F148 HydrophobicContact CG1-CE2 4.47Å; V91-F148 HydrophobicContact CG1-CZ 3.75Å; V91-A160 HydrophobicContact CG2-CB 4.32Å
92Q95.6Very high94.3Very high59 Ų5949.7 Ų49.728%0.27627%0.266SS..EExtended strand (participates in β ladder)trans-123.2144.6172.868.4-173.8-0.700110.2C59 T60 V62 H100C59-Q92 CarbonylContact C-O 3.51Å; C59-Q92 WeakPolarHBondContact CA-O 3.19Å; T60-Q92 PolarHBondContact N-O 3.27Å; T60-Q92 PolarHBondContact O-N 2.96Å; T60-Q92 WeakPolarHBondContact OG1-CG 3.44Å; T60-Q92 PolarHBondContact OG1-NE2 3.26Å; T60-Q92 PolarHBondContact OG1-O 3.27Å; V62-Q92 HydrophobicContact CG2-CB 3.89Å; V62-Q92 HydrophobicContact CG2-CG 3.84Å; Q92-H100 CarbonylContact C-O 3.59Å; Q92-H100 WeakPolarHBondContact CA-O 3.43Å; Q92-H100 WeakPolarHBondContact CB-O 3.39Å
93Y94.8Very high94.5Very high11 Ų1150.9 Ų50.94%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-130.5156.4172.176.7-80.8000109.9T57 N58 N95 H100 V102 I152T57-Y93 HydrophobicContact CG2-CD2 4.26Å; T57-Y93 HydrophobicContact CG2-CG 4.33Å; N58-Y93 WeakPolarHBondContact O-CB 3.49Å; Y93-N95 HydrophobicContact CD2-CB 4.35Å; Y93-N95 HydrophobicContact CE2-CB 3.77Å; Y93-H100 HydrophobicContact CD1-CB 3.77Å; Y93-H100 HydrophobicContact CE1-CB 3.24Å; Y93-H100 HydrophobicContact CE2-CB 4.34Å; Y93-H100 HydrophobicContact CG-CB 4.48Å; Y93-H100 AromaticContact CZ-CG 3.87Å; Y93-H100 PolarHBondContact N-O 2.97Å; Y93-H100 PolarHBondContact O-N 3.35Å; Y93-V102 HydrophobicContact CD1-CG1 3.91Å; Y93-V102 HydrophobicContact CD1-CG2 4.24Å; Y93-V102 HydrophobicContact CE1-CG1 3.54Å; Y93-I152 HydrophobicContact CD1-CD1 3.55Å; Y93-I152 HydrophobicContact CD1-CG1 3.9Å; Y93-I152 HydrophobicContact CD2-CD1 4.5Å; Y93-I152 HydrophobicContact CD2-CG1 3.97Å; Y93-I152 HydrophobicContact CE1-CD1 3.85Å; Y93-I152 HydrophobicContact CE1-CG1 4.01Å; Y93-I152 HydrophobicContact CE1-CG2 3.96Å; Y93-I152 HydrophobicContact CE2-CG1 4.06Å; Y93-I152 HydrophobicContact CE2-CG2 4.24Å; Y93-I152 HydrophobicContact CG-CD1 3.93Å; Y93-I152 HydrophobicContact CG-CG1 3.9Å
94L92.1Very high94.7Very high101 Ų10147.4 Ų47.453%0.52926%0.256SS..EExtended strand (participates in β ladder)trans-98125.2178.1-173.873.1000109.2N99L94-N99 WeakPolarHBondContact CD1-OD1 3.43Å
95N88.6Confident94.7Very high79 Ų7947.3 Ų47.342%0.42226%0.256SS..EExtended strand (participates in β ladder)trans-122.6115.9169.4-165.35.9000109.3Y93 N97 K98Y93-N95 HydrophobicContact CD2-CB 4.35Å; Y93-N95 HydrophobicContact CE2-CB 3.77Å; N95-N97 PolarHBondContact O-N 3.31Å; N95-K98 PolarHBondContact N-O 3.13Å; N95-K98 PolarHBondContact O-N 2.9Å; N95-K98 VanDerWaalsContact O-N 3.08Å
96G86.6Confident94.7Very high57 Ų5747.3 Ų47.359%0.58826%0.255SS*.THydrogen-bonded Turntrans58.4-110.3-168.400000111.1
97N88Confident94.6Very high167 Ų16748.4 Ų48.489%0.89326%0.261SS*.THydrogen-bonded Turntrans-117.215.7179.1-71.1-8000113.2N95N95-N97 PolarHBondContact O-N 3.31Å
98K91.1Very high94.3Very high152 Ų15248.6 Ų48.666%0.66126%0.261SS*.EExtended strand (participates in β ladder)trans-118.6136.6-178.7-66.7-176.2-179.6179.30110.5N95 H100N95-K98 PolarHBondContact N-O 3.13Å; N95-K98 PolarHBondContact O-N 2.9Å; N95-K98 VanDerWaalsContact O-N 3.08Å; K98-H100 PolarHBondContact O-CD2 3.43Å
99N92.9Very high94.1Very high109 Ų10948.6 Ų48.658%0.58327%0.271SS*.EExtended strand (participates in β ladder)trans-85.4126.2170.4-70.5-16.1000108.8L94L94-N99 WeakPolarHBondContact CD1-OD1 3.43Å
100H94.3Very high93.9Very high46 Ų4648.7 Ų48.721%0.21327%0.272CS..EExtended strand (participates in β ladder)trans-108.5136.5175.3-68.7-105.8000108.4Q92 Y93 K98 E157Q92-H100 CarbonylContact C-O 3.59Å; Q92-H100 WeakPolarHBondContact CA-O 3.43Å; Q92-H100 WeakPolarHBondContact CB-O 3.39Å; Y93-H100 HydrophobicContact CD1-CB 3.77Å; Y93-H100 HydrophobicContact CE1-CB 3.24Å; Y93-H100 HydrophobicContact CE2-CB 4.34Å; Y93-H100 HydrophobicContact CG-CB 4.48Å; Y93-H100 AromaticContact CZ-CG 3.87Å; Y93-H100 PolarHBondContact N-O 2.97Å; Y93-H100 PolarHBondContact O-N 3.35Å; K98-H100 PolarHBondContact O-CD2 3.43Å; H100-E157 IonicContact CE1-OE2 2.72Å; H100-E157 PolarHBondContact CE1-OE2 2.97Å; H100-E157 IonicContact ND1-OE2 2.84Å
101T95.3Very high93.7Very high83 Ų8348.7 Ų48.751%0.50927%0.27SS..EExtended strand (participates in β ladder)trans-111.9125.1-179.1-62.10000109.4I90 V91I90-T101 HydrophobicContact CG2-CG2 3.18Å; V91-T101 CarbonylContact O-C 3.5Å; V91-T101 WeakPolarHBondContact O-CA 3.19Å
102V95.9Very high93.4Very high3 Ų352.3 Ų52.32%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-138.2159.4-165-55.40000111.7I90 V91 Y93 I152 E157 D158 A160I90-V102 WeakPolarHBondContact CA-O 3.4Å; V91-V102 HydrophobicContact CG2-CG2 3.4Å; V91-V102 PolarHBondContact N-O 3.09Å; V91-V102 PolarHBondContact O-N 2.04Å; Y93-V102 HydrophobicContact CD1-CG1 3.91Å; Y93-V102 HydrophobicContact CD1-CG2 4.24Å; Y93-V102 HydrophobicContact CE1-CG1 3.54Å; V102-I152 HydrophobicContact CG2-CD1 4.16Å; V102-E157 WeakPolarHBondContact CG1-O 3.42Å; V102-D158 WeakPolarHBondContact CA-O 3.43Å; V102-D158 WeakPolarHBondContact CB-O 3.46Å; V102-A160 HydrophobicContact CG2-CB 3.73Å
103I96.6Very high93.2Very high44 Ų4455.6 Ų55.623%0.22631%0.305CS..EExtended strand (participates in β ladder)trans-84.5127.1173.2-58.8172.6000108.8K88 I90 F105 D158 A160K88-I103 HydrophobicContact CD-CD1 4.38Å; K88-I103 HydrophobicContact CG-CG2 4.37Å; I90-I103 HydrophobicContact CD1-CG1 3.82Å; I103-F105 HydrophobicContact CB-CE2 4.12Å; I103-F105 HydrophobicContact CB-CZ 4.42Å; I103-F105 HydrophobicContact CG2-CD2 4.38Å; I103-F105 HydrophobicContact CG2-CE1 4.33Å; I103-F105 HydrophobicContact CG2-CE2 3.77Å; I103-F105 HydrophobicContact CG2-CZ 3.74Å; I103-D158 PolarHBondContact N-O 3.47Å; I103-A160 PolarHBondContact O-N 2.74Å
104L97.5Very high93.2Very high0 Ų056.1 Ų56.10%031%0.307CS..EExtended strand (participates in β ladder)trans-90.2131.5174.6-176.574000110.8V89 V91 A120 I142 F148 A160 L162V89-L104 HydrophobicContact CB-CB 4.18Å; V89-L104 HydrophobicContact CG1-CB 4.04Å; V89-L104 HydrophobicContact CG1-CD2 3.97Å; V89-L104 PolarHBondContact O-N 3.41Å; V91-L104 HydrophobicContact CG1-CB 3.87Å; V91-L104 HydrophobicContact CG1-CD2 3.98Å; V91-L104 HydrophobicContact CG1-CG 4.37Å; V91-L104 HydrophobicContact CG2-CB 4.05Å; V91-L104 HydrophobicContact CG2-CD1 4.43Å; L104-A120 VanDerWaalsContact O-CA 3.23Å; L104-A120 WeakPolarHBondContact O-CA 3.37Å; L104-A120 WeakPolarHBondContact O-CB 3.32Å; L104-I142 HydrophobicContact CD2-CD1 4.16Å; L104-F148 HydrophobicContact CD1-CE2 4.34Å; L104-F148 HydrophobicContact CD2-CE2 3.9Å; L104-F148 HydrophobicContact CD2-CZ 3.88Å; L104-A160 HydrophobicContact CD1-CB 3.96Å; L104-L162 HydrophobicContact CD1-CB 4.16Å; L104-L162 HydrophobicContact CG-CB 4.49Å
105F97.2Very high93.2Very high1 Ų154.9 Ų54.90%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-113.8147.4167.7-57.1-90.7000109.9I103 T110 Y111 K115 C119 A120 E159 A160 L161 L162I103-F105 HydrophobicContact CB-CE2 4.12Å; I103-F105 HydrophobicContact CB-CZ 4.42Å; I103-F105 HydrophobicContact CG2-CD2 4.38Å; I103-F105 HydrophobicContact CG2-CE1 4.33Å; I103-F105 HydrophobicContact CG2-CE2 3.77Å; I103-F105 HydrophobicContact CG2-CZ 3.74Å; F105-T110 HydrophobicContact CD1-CG2 4.49Å; F105-Y111 AromaticContact CD2-CD2 3.74Å; F105-Y111 HydrophobicContact CD2-CD2 3.74Å; F105-Y111 AromaticContact CE2-CD2 3.83Å; F105-Y111 HydrophobicContact CE2-CD2 3.83Å; F105-Y111 HydrophobicContact CE2-CE2 4.3Å; F105-Y111 HydrophobicContact CG-CD2 4.15Å; F105-Y111 HydrophobicContact CZ-CD2 4.31Å; F105-K115 HydrophobicContact CZ-CB 4.43Å; F105-C119 VanDerWaalsContact CD1-O 3.23Å; F105-C119 WeakPolarHBondContact CD1-O 3.2Å; F105-A120 CarbonylContact C-O 3.43Å; F105-A120 WeakPolarHBondContact CA-O 3.36Å; F105-E159 HydrophobicContact CE2-CG 4.47Å; F105-A160 PolarHBondContact N-O 3.41Å; F105-L161 HydrophobicContact CB-CD2 3.91Å; F105-L161 CarbonylContact O-C 3.59Å; F105-L161 VanDerWaalsContact O-CA 3.29Å; F105-L161 WeakPolarHBondContact O-CA 3.26Å; F105-L162 PolarHBondContact O-N 2.85Å
106D96.1Very high93.5Very high13 Ų1360.8 Ų60.87%0.0732%0.32CS..SBendtrans-63.4-46.6-178.4-170.7-4.8000110.2A120 T121 F138 Y163D106-A120 VanDerWaalsContact CB-O 3.3Å; D106-A120 WeakPolarHBondContact CB-O 3.3Å; D106-A120 PolarHBondContact N-O 3.23Å; D106-T121 PolarHBondContact OD2-OG1 3.19Å; D106-F138 HydrophobicContact CB-CE2 3.92Å; D106-F138 HydrophobicContact CB-CZ 4.15Å; D106-Y163 PolarHBondContact O-N 2.98Å; D106-Y163 WeakPolarHBondContact OD1-CD2 3.46Å
107N95.2Very high93.8Very high23 Ų2360.5 Ų60.512%0.12330%0.304CS..SBendtrans-159.8174-178.155.357.4000112.2A109 T110 Y111 F165N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 2.93Å; N107-A109 WeakPolarHBondContact OD1-CB 3.16Å; N107-A109 PolarHBondContact OD1-N 3.4Å; N107-T110 PolarHBondContact O-N 2.98Å; N107-T110 PolarHBondContact OD1-N 3.34Å; N107-T110 PolarHBondContact OD1-OG1 3.49Å; N107-Y111 PolarHBondContact O-N 2.87Å; N107-F165 HydrophobicContact CB-CD2 3.92Å; N107-F165 HydrophobicContact CB-CE2 3.3Å; N107-F165 HydrophobicContact CB-CZ 4.2Å
108I93.5Very high94.2Very high3 Ų352.6 Ų52.62%0.01526%0.262CS..Hα-helixtrans-62.5-29.5-177.5-166.462.9000113.8H50 E51 F54 Y111 N112 L161 Y166H50-I108 HydrophobicContact CB-CD1 4Å; H50-I108 HydrophobicContact CB-CG1 4.28Å; E51-I108 HydrophobicContact CB-CB 4.3Å; E51-I108 HydrophobicContact CB-CG1 4.23Å; E51-I108 HydrophobicContact CB-CG2 4.45Å; E51-I108 HydrophobicContact CG-CB 4.12Å; E51-I108 HydrophobicContact CG-CG2 4.32Å; F54-I108 HydrophobicContact CE2-CD1 4.02Å; I108-Y111 HydrophobicContact CD1-CD1 3.69Å; I108-Y111 HydrophobicContact CD1-CE1 4.34Å; I108-Y111 HydrophobicContact CD1-CG 4.34Å; I108-Y111 PolarHBondContact O-N 3.21Å; I108-N112 WeakPolarHBondContact O-CB 3.4Å; I108-N112 VanDerWaalsContact O-CG 3.24Å; I108-N112 PolarHBondContact O-N 2.96Å; I108-N112 PolarHBondContact O-ND2 3.32Å; I108-L161 HydrophobicContact CB-CD1 4.31Å; I108-L161 HydrophobicContact CD1-CD1 4.26Å; I108-Y166 HydrophobicContact CG2-CD2 4.03Å; I108-Y166 HydrophobicContact CG2-CE2 3.73Å
109A92.2Very high94.5Very high50 Ų5045.4 Ų45.441%0.41323%0.231SC..Hα-helixtrans-67.6-45.9177.200000111N107 Y111 N112 H113N107-A109 VanDerWaalsContact C-N 3.27Å; N107-A109 PolarHBondContact O-N 2.93Å; N107-A109 WeakPolarHBondContact OD1-CB 3.16Å; N107-A109 PolarHBondContact OD1-N 3.4Å; A109-Y111 VanDerWaalsContact C-N 3.33Å; A109-Y111 PolarHBondContact O-N 3.18Å; A109-N112 PolarHBondContact O-N 2.91Å; A109-H113 PolarHBondContact O-CD2 3.4Å; A109-H113 PolarHBondContact O-N 3.06Å
110T94.1Very high94.7Very high3 Ų340.2 Ų40.22%0.01820%0.203CC..Hα-helixtrans-62.1-44.2175.7-53.80000110.7F105 N107 H113 Y114 C119 S122F105-T110 HydrophobicContact CD1-CG2 4.49Å; N107-T110 PolarHBondContact O-N 2.98Å; N107-T110 PolarHBondContact OD1-N 3.34Å; N107-T110 PolarHBondContact OD1-OG1 3.49Å; T110-H113 PolarHBondContact O-N 2.92Å; T110-Y114 HydrophobicContact CG2-CD2 4.36Å; T110-Y114 PolarHBondContact O-N 3.27Å; T110-C119 VanDerWaalsContact CG2-O 3.29Å; T110-C119 WeakPolarHBondContact CG2-O 3.41Å; T110-S122 PolarHBondContact OG1-OG 3.27Å
111Y93.6Very high94.8Very high19 Ų1938.1 Ų38.18%0.07519%0.194CC..Hα-helixtrans-55.2-55.1175.5173.7-96.4000111.8F54 F105 N107 I108 A109 H113 K115 E159 L161F54-Y111 HydrophobicContact CZ-CE1 4.41Å; F54-Y111 HydrophobicContact CZ-CE2 4.21Å; F105-Y111 AromaticContact CD2-CD2 3.74Å; F105-Y111 HydrophobicContact CD2-CD2 3.74Å; F105-Y111 AromaticContact CE2-CD2 3.83Å; F105-Y111 HydrophobicContact CE2-CD2 3.83Å; F105-Y111 HydrophobicContact CE2-CE2 4.3Å; F105-Y111 HydrophobicContact CG-CD2 4.15Å; F105-Y111 HydrophobicContact CZ-CD2 4.31Å; N107-Y111 PolarHBondContact O-N 2.87Å; I108-Y111 HydrophobicContact CD1-CD1 3.69Å; I108-Y111 HydrophobicContact CD1-CE1 4.34Å; I108-Y111 HydrophobicContact CD1-CG 4.34Å; I108-Y111 PolarHBondContact O-N 3.21Å; A109-Y111 VanDerWaalsContact C-N 3.33Å; A109-Y111 PolarHBondContact O-N 3.18Å; Y111-H113 VanDerWaalsContact C-N 3.27Å; Y111-H113 PolarHBondContact O-N 2.82Å; Y111-K115 HydrophobicContact CD2-CB 4.41Å; Y111-K115 HydrophobicContact CD2-CD 4.38Å; Y111-K115 HydrophobicContact CE1-CD 4.26Å; Y111-K115 HydrophobicContact CE2-CD 3.69Å; Y111-K115 HydrophobicContact CE2-CG 4.4Å; Y111-K115 WeakPolarHBondContact O-CA 3.38Å; Y111-K115 WeakPolarHBondContact O-CB 3.48Å; Y111-K115 PolarHBondContact O-N 3.37Å; Y111-K115 PolarHBondContact OH-NZ 3.37Å; Y111-E159 HydrophobicContact CE2-CB 4.15Å; Y111-E159 HydrophobicContact CE2-CG 4.26Å; Y111-E159 WeakPolarHBondContact CE2-OE2 3.27Å; Y111-E159 VanDerWaalsContact CZ-OE2 3.24Å; Y111-E159 PolarHBondContact OH-OE2 3.45Å; Y111-L161 HydrophobicContact CG-CD2 4.48Å
112N90.9Very high94.7Very high75 Ų7535.6 Ų35.640%0.40118%0.179SC..Hα-helixtrans-60.4-35.5-176.7-73.9-27.4000113I108 A109I108-N112 WeakPolarHBondContact O-CB 3.4Å; I108-N112 VanDerWaalsContact O-CG 3.24Å; I108-N112 PolarHBondContact O-N 2.96Å; I108-N112 PolarHBondContact O-ND2 3.32Å; A109-N112 PolarHBondContact O-N 2.91Å
113H91.6Very high94.5Very high129 Ų12935.7 Ų35.760%0.59718%0.181SC*.Hα-helixtrans-90.1-33.5-175.8-71.5-59.8000114.3A109 T110 Y111A109-H113 PolarHBondContact O-CD2 3.4Å; A109-H113 PolarHBondContact O-N 3.06Å; T110-H113 PolarHBondContact O-N 2.92Å; Y111-H113 VanDerWaalsContact C-N 3.27Å; Y111-H113 PolarHBondContact O-N 2.82Å
114Y94Very high94.2Very high21 Ų2136.6 Ų36.68%0.08219%0.19CC..Hα-helixtrans-126.511.7-169-55.8-74.4000114.2V71 E74 F84 T110 F116 L117 G118 C119 S122V71-Y114 HydrophobicContact CG1-CD1 4.12Å; V71-Y114 HydrophobicContact CG1-CE1 3.86Å; E74-Y114 PolarHBondContact N-OH 3.23Å; F84-Y114 AromaticContact CE1-CE1 3.86Å; F84-Y114 HydrophobicContact CE1-CE1 3.86Å; F84-Y114 HydrophobicContact CE1-CE2 4.31Å; F84-Y114 AromaticContact CE1-CZ 3.7Å; F84-Y114 AromaticContact CZ-CD1 3.94Å; F84-Y114 HydrophobicContact CZ-CD1 3.94Å; F84-Y114 HydrophobicContact CZ-CD2 4.24Å; F84-Y114 AromaticContact CZ-CE1 3.66Å; F84-Y114 HydrophobicContact CZ-CE1 3.66Å; F84-Y114 AromaticContact CZ-CE2 4Å; F84-Y114 HydrophobicContact CZ-CE2 4Å; F84-Y114 HydrophobicContact CZ-CG 4.21Å; F84-Y114 AromaticContact CZ-CZ 3.69Å; T110-Y114 HydrophobicContact CG2-CD2 4.36Å; T110-Y114 PolarHBondContact O-N 3.27Å; Y114-F116 VanDerWaalsContact C-N 3.27Å; Y114-F116 PolarHBondContact O-N 3.49Å; Y114-L117 PolarHBondContact O-N 3.2Å; Y114-L117 VanDerWaalsContact O-N 3.09Å; Y114-G118 PolarHBondContact O-N 3.3Å; Y114-C119 PolarHBondContact O-N 2.6Å; Y114-S122 VanDerWaalsContact CD2-CB 3.47Å; Y114-S122 VanDerWaalsContact CE2-OG 3.31Å; Y114-S122 WeakPolarHBondContact CE2-OG 3.35Å
115K93.3Very high94Very high76 Ų7640.6 Ų40.633%0.3321%0.209SC..THydrogen-bonded Turntrans-48.7-45.3173.4162.5170171.1149.10113F105 Y111 L117 G118 E159F105-K115 HydrophobicContact CZ-CB 4.43Å; Y111-K115 HydrophobicContact CD2-CB 4.41Å; Y111-K115 HydrophobicContact CD2-CD 4.38Å; Y111-K115 HydrophobicContact CE1-CD 4.26Å; Y111-K115 HydrophobicContact CE2-CD 3.69Å; Y111-K115 HydrophobicContact CE2-CG 4.4Å; Y111-K115 WeakPolarHBondContact O-CA 3.38Å; Y111-K115 WeakPolarHBondContact O-CB 3.48Å; Y111-K115 PolarHBondContact O-N 3.37Å; Y111-K115 PolarHBondContact OH-NZ 3.37Å; K115-L117 VanDerWaalsContact C-N 3.26Å; K115-L117 PolarHBondContact O-N 3.26Å; K115-G118 PolarHBondContact O-N 2.96Å; K115-E159 WeakPolarHBondContact CD-OE1 3.2Å; K115-E159 WeakPolarHBondContact CE-OE1 3.37Å; K115-E159 IonicContact NZ-OE1 3.58Å; K115-E159 PolarHBondContact NZ-OE1 3.25Å; K115-E159 IonicContact NZ-OE2 3.36Å; K115-E159 PolarHBondContact NZ-OE2 3.43Å
116F93.5Very high93.6Very high203 Ų20349.2 Ų49.289%0.8925%0.249SC*.THydrogen-bonded Turntrans-60-34.6-178.2-177.4-98.7000113.3Y114Y114-F116 VanDerWaalsContact C-N 3.27Å; Y114-F116 PolarHBondContact O-N 3.49Å
117L94.4Very high93.4Very high50 Ų5056 Ų5626%0.26227%0.273SS..THydrogen-bonded Turntrans-86.9-19176.1-67.1170000112.3V71 Y114 K115 C119V71-L117 HydrophobicContact CG1-CD1 3.99Å; V71-L117 HydrophobicContact CG2-CD1 4Å; Y114-L117 PolarHBondContact O-N 3.2Å; Y114-L117 VanDerWaalsContact O-N 3.09Å; K115-L117 VanDerWaalsContact C-N 3.26Å; K115-L117 PolarHBondContact O-N 3.26Å; L117-C119 VanDerWaalsContact CB-SG 3.53Å
118G95.6Very high93.3Very high2 Ų258 Ų582%0.02128%0.284CS..THydrogen-bonded Turntrans68.335.4-174.600000112.7K88 Y114 K115 A120K88-G118 WeakPolarHBondContact CA-O 3.43Å; K88-G118 WeakPolarHBondContact CB-O 3.38Å; Y114-G118 PolarHBondContact O-N 3.3Å; K115-G118 PolarHBondContact O-N 2.96Å; G118-A120 PolarHBondContact O-N 2.89Å
119C97.1Very high93.4Very high0 Ų064.5 Ų64.50%032%0.316CS..  trans-77.9119.6175.9-49.40000109.5F84 C86 F105 T110 Y114 L117F84-C119 HydrophobicContact CE2-CB 4.28Å; C86-C119 HydrophobicContact CB-CB 4.08Å; C86-C119 WeakPolarHBondContact CB-SG 3.45Å; C86-C119 WeakPolarHBondContact SG-CA 3.45Å; C86-C119 WeakPolarHBondContact SG-CB 3.35Å; C86-C119 CovalentContact SG-SG 2.04Å; C86-C119 PolarHBondContact SG-SG 2.84Å; F105-C119 VanDerWaalsContact CD1-O 3.23Å; F105-C119 WeakPolarHBondContact CD1-O 3.2Å; T110-C119 VanDerWaalsContact CG2-O 3.29Å; T110-C119 WeakPolarHBondContact CG2-O 3.41Å; Y114-C119 PolarHBondContact O-N 2.6Å; L117-C119 VanDerWaalsContact CB-SG 3.53Å
120A97.3Very high93.6Very high0 Ų065.1 Ų65.10%031%0.313CS..SBendtrans-67.6-35.8-175.900000112.8L87 V89 L104 F105 D106 G118 F138L87-A120 VanDerWaalsContact O-CB 3.26Å; L87-A120 WeakPolarHBondContact O-CB 3.36Å; L87-A120 PolarHBondContact O-N 3.48Å; V89-A120 HydrophobicContact CB-CB 3.85Å; V89-A120 HydrophobicContact CG2-CB 3.55Å; L104-A120 VanDerWaalsContact O-CA 3.23Å; L104-A120 WeakPolarHBondContact O-CA 3.37Å; L104-A120 WeakPolarHBondContact O-CB 3.32Å; F105-A120 CarbonylContact C-O 3.43Å; F105-A120 WeakPolarHBondContact CA-O 3.36Å; D106-A120 VanDerWaalsContact CB-O 3.3Å; D106-A120 WeakPolarHBondContact CB-O 3.3Å; D106-A120 PolarHBondContact N-O 3.23Å; G118-A120 PolarHBondContact O-N 2.89Å; A120-F138 HydrophobicContact CB-CE1 3.97Å
121T96.7Very high93.7Very high2 Ų265 Ų651%0.01231%0.312CS..  trans-138.4154.6175.7-169.10000109.2D106 W134 V135 F138D106-T121 PolarHBondContact OD2-OG1 3.19Å; T121-W134 PolarHBondContact OG1-NE1 3.09Å; T121-V135 HydrophobicContact CG2-CG2 4.03Å; T121-F138 HydrophobicContact CG2-CB 3.95Å; T121-F138 HydrophobicContact CG2-CD1 3.73Å; T121-F138 HydrophobicContact CG2-CD2 4.27Å; T121-F138 HydrophobicContact CG2-CE1 4.3Å; T121-F138 HydrophobicContact CG2-CG 3.72Å
122S93.1Very high93.9Very high30 Ų3066.5 Ų66.521%0.2132%0.323CS..  trans-137.198.717661.20000109.9T110 Y114T110-S122 PolarHBondContact OG1-OG 3.27Å; Y114-S122 VanDerWaalsContact CD2-CB 3.47Å; Y114-S122 VanDerWaalsContact CE2-OG 3.31Å; Y114-S122 WeakPolarHBondContact CE2-OG 3.35Å
123A91.3Very high94.2Very high6 Ų667.3 Ų67.35%0.0532%0.324CS..  trans-88.2130.5165.500000109.5N131 W134A123-N131 VanDerWaalsContact C-OD1 3.31Å; A123-N131 PolarHBondContact O-OD1 3.34Å; A123-N131 VanDerWaalsContact O-OD1 3.09Å; A123-W134 HydrophobicContact CB-CB 3.56Å; A123-W134 VanDerWaalsContact CB-CD1 3.43Å; A123-W134 HydrophobicContact CB-CD2 3.92Å; A123-W134 HydrophobicContact CB-CG 3.34Å
124C91Very high94.5Very high63 Ų6366 Ų6643%0.42631%0.314SS..  trans-12850.8-178.6-740000111.5C73C73-C124 HydrophobicContact CB-CB 3.69Å; C73-C124 WeakPolarHBondContact CB-SG 3.35Å; C73-C124 WeakPolarHBondContact SG-CA 3.24Å; C73-C124 WeakPolarHBondContact SG-CB 3.42Å; C73-C124 CovalentContact SG-SG 2.04Å; C73-C124 PolarHBondContact SG-SG 3.46Å
125H91.4Very high94.7Very high83 Ų8365 Ų6538%0.38431%0.31SS..  trans-65.4164.3164.6-57.6-62.1000110.7S82 R127 D130 N131 W134S82-H125 WeakPolarHBondContact CB-O 2.94Å; S82-H125 PolarHBondContact OG-O 2.76Å; H125-R127 PolarHBondContact O-N 2.84Å; H125-D130 HydrophobicContact CB-CB 4.01Å; H125-N131 WeakPolarHBondContact CA-OD1 3.01Å; H125-N131 VanDerWaalsContact CB-OD1 3.29Å; H125-N131 WeakPolarHBondContact CB-OD1 3.5Å; H125-N131 PolarHBondContact N-OD1 2.82Å; H125-N131 PolarHBondContact O-ND2 3.35Å; H125-W134 AromaticContact NE2-CE3 3.75Å
126H89.7Confident94.8Very high182 Ų18265.7 Ų65.784%0.84332%0.315SS*.SBendtrans-65-25.9-176.5-169.5-69.5000113
127R92Very high95Very high155 Ų15560.7 Ų60.759%0.58529%0.293SS*.SBendtrans-109136.2-178.1-61176.9175176.9-1.2111.2H125 M129 D130 N131H125-R127 PolarHBondContact O-N 2.84Å; R127-M129 PolarHBondContact O-N 3.37Å; R127-D130 HydrophobicContact CB-CB 4.43Å; R127-D130 PolarHBondContact O-N 3.11Å; R127-N131 PolarHBondContact O-N 3.32Å; R127-N131 PolarHBondContact O-ND2 2.85Å
128D93.7Very high95.2Very high66 Ų6658.4 Ų58.435%0.35328%0.281SS..Hα-helixtrans-62.2-32.1177.8-64.50.8000112.3S82 K83 N131 T132S82-D128 WeakPolarHBondContact CA-OD1 3.3Å; S82-D128 WeakPolarHBondContact CB-OD1 3.36Å; K83-D128 PolarHBondContact N-OD1 3.48Å; D128-N131 PolarHBondContact O-N 3.16Å; D128-T132 PolarHBondContact O-N 3.34Å; D128-T132 PolarHBondContact O-OG1 3.29Å
129M95.9Very high95.2Very high140 Ų14059.7 Ų59.769%0.6929%0.286SS*.Hα-helixtrans-65-45.9177.1-63.4-169.1-55.100111.8R127 N131 T132 E133R127-M129 PolarHBondContact O-N 3.37Å; M129-N131 VanDerWaalsContact C-N 3.25Å; M129-N131 PolarHBondContact O-N 2.87Å; M129-T132 WeakPolarHBondContact O-CB 3.27Å; M129-T132 PolarHBondContact O-N 3.22Å; M129-T132 VanDerWaalsContact O-N 3.13Å; M129-E133 PolarHBondContact O-N 3.1Å
130D96.1Very high95.2Very high63 Ų6365.8 Ų65.834%0.33731%0.314SS..Hα-helixtrans-62.9-37.4179.3-54.8-9.6000110.5H125 R127 W134H125-D130 HydrophobicContact CB-CB 4.01Å; R127-D130 HydrophobicContact CB-CB 4.43Å; R127-D130 PolarHBondContact O-N 3.11Å; D130-W134 WeakPolarHBondContact O-CB 3.5Å; D130-W134 PolarHBondContact O-N 2.69Å
131N95.7Very high95.2Very high0 Ų071 Ų710%033%0.334CS..Hα-helixtrans-66.8-40.7175.3-64.1-24.2000112.3K83 F84 A123 H125 R127 D128 M129 W134 V135K83-N131 WeakPolarHBondContact O-CB 3.41Å; K83-N131 PolarHBondContact O-ND2 3.46Å; F84-N131 HydrophobicContact CB-CB 3.74Å; A123-N131 VanDerWaalsContact C-OD1 3.31Å; A123-N131 PolarHBondContact O-OD1 3.34Å; A123-N131 VanDerWaalsContact O-OD1 3.09Å; H125-N131 WeakPolarHBondContact CA-OD1 3.01Å; H125-N131 VanDerWaalsContact CB-OD1 3.29Å; H125-N131 WeakPolarHBondContact CB-OD1 3.5Å; H125-N131 PolarHBondContact N-OD1 2.82Å; H125-N131 PolarHBondContact O-ND2 3.35Å; R127-N131 PolarHBondContact O-N 3.32Å; R127-N131 PolarHBondContact O-ND2 2.85Å; D128-N131 PolarHBondContact O-N 3.16Å; M129-N131 VanDerWaalsContact C-N 3.25Å; M129-N131 PolarHBondContact O-N 2.87Å; N131-W134 PolarHBondContact O-N 3.06Å; N131-V135 WeakPolarHBondContact O-CG2 3.28Å; N131-V135 PolarHBondContact O-N 3.33Å; N131-V135 VanDerWaalsContact O-N 3.14Å
132T97.2Very high95.1Very high50 Ų5071 Ų7131%0.30733%0.334SS..Hα-helixtrans-63.2-48.1176.6-58.70000110.4P85 D128 M129 W134 V135 E136P85-T132 HydrophobicContact CG-CG2 4.28Å; D128-T132 PolarHBondContact O-N 3.34Å; D128-T132 PolarHBondContact O-OG1 3.29Å; M129-T132 WeakPolarHBondContact O-CB 3.27Å; M129-T132 PolarHBondContact O-N 3.22Å; M129-T132 VanDerWaalsContact O-N 3.13Å; T132-W134 VanDerWaalsContact C-N 3.3Å; T132-W134 PolarHBondContact O-N 3.09Å; T132-V135 PolarHBondContact O-N 2.93Å; T132-E136 WeakPolarHBondContact O-CG 3.23Å; T132-E136 PolarHBondContact O-N 3.13Å
133E97.6Very high95.2Very high92 Ų9274.4 Ų74.443%0.4335%0.345SS..Hα-helixtrans-59.9-39.9177.5-171-173.9165.900111.8M129 E136 K137M129-E133 PolarHBondContact O-N 3.1Å; E133-E136 PolarHBondContact O-N 3.45Å; E133-K137 HydrophobicContact CG-CD 4.17Å; E133-K137 WeakPolarHBondContact O-CB 3.4Å; E133-K137 WeakPolarHBondContact O-CG 3.31Å; E133-K137 PolarHBondContact O-N 3.44Å; E133-K137 WeakPolarHBondContact OE1-CE 3.35Å; E133-K137 IonicContact OE1-NZ 2.6Å; E133-K137 PolarHBondContact OE1-NZ 3.15Å
134W97.3Very high95.4Very high103 Ų10382.1 Ų82.139%0.3938%0.38SS..Hα-helixtrans-60.4-47.6175.9-178.4-80.3000112.4T121 A123 H125 D130 N131 T132 K137 F138T121-W134 PolarHBondContact OG1-NE1 3.09Å; A123-W134 HydrophobicContact CB-CB 3.56Å; A123-W134 VanDerWaalsContact CB-CD1 3.43Å; A123-W134 HydrophobicContact CB-CD2 3.92Å; A123-W134 HydrophobicContact CB-CG 3.34Å; H125-W134 AromaticContact NE2-CE3 3.75Å; D130-W134 WeakPolarHBondContact O-CB 3.5Å; D130-W134 PolarHBondContact O-N 2.69Å; N131-W134 PolarHBondContact O-N 3.06Å; T132-W134 VanDerWaalsContact C-N 3.3Å; T132-W134 PolarHBondContact O-N 3.09Å; W134-K137 PolarHBondContact O-N 3Å; W134-F138 WeakPolarHBondContact O-CB 3.48Å; W134-F138 PolarHBondContact O-N 3.37Å
135V97.8Very high95.4Very high0 Ų083.5 Ų83.50%038%0.38CS..Hα-helixtrans-65.6-40.3-179175.90000110.8Y66 P85 L87 T121 N131 T132 F138 Q139Y66-V135 HydrophobicContact CE1-CG1 3.82Å; P85-V135 HydrophobicContact CG-CB 4.02Å; P85-V135 HydrophobicContact CG-CG1 4.17Å; P85-V135 HydrophobicContact CG-CG2 4.15Å; L87-V135 HydrophobicContact CB-CG1 3.56Å; L87-V135 HydrophobicContact CD2-CG1 4.21Å; L87-V135 HydrophobicContact CG-CG1 4.43Å; T121-V135 HydrophobicContact CG2-CG2 4.03Å; N131-V135 WeakPolarHBondContact O-CG2 3.28Å; N131-V135 PolarHBondContact O-N 3.33Å; N131-V135 VanDerWaalsContact O-N 3.14Å; T132-V135 PolarHBondContact O-N 2.93Å; V135-F138 PolarHBondContact O-N 3.15Å; V135-Q139 PolarHBondContact O-N 3.4Å
136E97.3Very high95.4Very high90 Ų9083.7 Ų83.742%0.42138%0.381SS..Hα-helixtrans-63.3-46.4175.6-72.7178.917300111.8T132 E133 F138 Q139 Q140T132-E136 WeakPolarHBondContact O-CG 3.23Å; T132-E136 PolarHBondContact O-N 3.13Å; E133-E136 PolarHBondContact O-N 3.45Å; E136-F138 VanDerWaalsContact C-N 3.32Å; E136-F138 PolarHBondContact O-N 3.5Å; E136-Q139 WeakPolarHBondContact O-CB 3.44Å; E136-Q139 PolarHBondContact O-N 3.3Å; E136-Q140 WeakPolarHBondContact O-CG 3.29Å; E136-Q140 PolarHBondContact O-N 3.49Å
137K97.7Very high95.7Very high98 Ų9883 Ų8343%0.42637%0.372SS..Hα-helixtrans-60.5-41.3174.4-78.3175.3170.1170.70111.7E133 W134 Q140 R141E133-K137 HydrophobicContact CG-CD 4.17Å; E133-K137 WeakPolarHBondContact O-CB 3.4Å; E133-K137 WeakPolarHBondContact O-CG 3.31Å; E133-K137 PolarHBondContact O-N 3.44Å; E133-K137 WeakPolarHBondContact OE1-CE 3.35Å; E133-K137 IonicContact OE1-NZ 2.6Å; E133-K137 PolarHBondContact OE1-NZ 3.15Å; W134-K137 PolarHBondContact O-N 3Å; K137-Q140 PolarHBondContact O-N 3.05Å; K137-R141 WeakPolarHBondContact O-CG 3.32Å; K137-R141 PolarHBondContact O-N 2.88Å
138F97.2Very high95.9Very high2 Ų276.5 Ų76.51%0.00935%0.348CS..Hα-helixtrans-61-46.5175-179.5-91.8000111.4L87 V89 D106 A120 T121 W134 V135 E136 Q140 R141 I142 L162L87-F138 HydrophobicContact CD2-CD1 4.01Å; V89-F138 HydrophobicContact CG2-CE1 4.13Å; D106-F138 HydrophobicContact CB-CE2 3.92Å; D106-F138 HydrophobicContact CB-CZ 4.15Å; A120-F138 HydrophobicContact CB-CE1 3.97Å; T121-F138 HydrophobicContact CG2-CB 3.95Å; T121-F138 HydrophobicContact CG2-CD1 3.73Å; T121-F138 HydrophobicContact CG2-CD2 4.27Å; T121-F138 HydrophobicContact CG2-CE1 4.3Å; T121-F138 HydrophobicContact CG2-CG 3.72Å; W134-F138 WeakPolarHBondContact O-CB 3.48Å; W134-F138 PolarHBondContact O-N 3.37Å; V135-F138 PolarHBondContact O-N 3.15Å; E136-F138 VanDerWaalsContact C-N 3.32Å; E136-F138 PolarHBondContact O-N 3.5Å; F138-Q140 VanDerWaalsContact C-N 3.32Å; F138-Q140 PolarHBondContact O-N 3.06Å; F138-R141 PolarHBondContact O-N 3.07Å; F138-I142 HydrophobicContact CD1-CG1 4.33Å; F138-I142 HydrophobicContact CE1-CG1 3.94Å; F138-I142 HydrophobicContact CE2-CG1 4.3Å; F138-I142 HydrophobicContact CZ-CD1 4.32Å; F138-I142 HydrophobicContact CZ-CG1 3.92Å; F138-I142 WeakPolarHBondContact O-CG1 3.36Å; F138-I142 PolarHBondContact O-N 2.88Å; F138-I142 VanDerWaalsContact O-N 3.08Å; F138-L162 HydrophobicContact CE2-CD2 3.84Å; F138-L162 HydrophobicContact CZ-CD2 4.15Å
139Q96.8Very high96Very high28 Ų2877.6 Ų77.613%0.13135%0.351CS..Hα-helixtrans-57.8-45.2176.1-168-174.522.700111.7A64 L87 V135 E136 K143A64-Q139 HydrophobicContact CB-CG 4.32Å; L87-Q139 HydrophobicContact CD1-CB 4.45Å; L87-Q139 HydrophobicContact CD1-CG 4.07Å; L87-Q139 HydrophobicContact CD2-CB 3.66Å; L87-Q139 HydrophobicContact CD2-CG 3.95Å; V135-Q139 PolarHBondContact O-N 3.4Å; E136-Q139 WeakPolarHBondContact O-CB 3.44Å; E136-Q139 PolarHBondContact O-N 3.3Å; Q139-K143 HydrophobicContact CG-CD 4.16Å; Q139-K143 VanDerWaalsContact NE2-NZ 3.14Å; Q139-K143 WeakPolarHBondContact O-CB 3.43Å; Q139-K143 VanDerWaalsContact O-CG 3.31Å; Q139-K143 WeakPolarHBondContact O-CG 3.48Å; Q139-K143 PolarHBondContact O-N 3.46Å
140Q97Very high96.1Very high128 Ų12871 Ų7160%0.59832%0.318SS*.Hα-helixtrans-62.8-46179.1-72.7173.9-10.100111.8E136 K137 F138 I142 K143 H144E136-Q140 WeakPolarHBondContact O-CG 3.29Å; E136-Q140 PolarHBondContact O-N 3.49Å; K137-Q140 PolarHBondContact O-N 3.05Å; F138-Q140 VanDerWaalsContact C-N 3.32Å; F138-Q140 PolarHBondContact O-N 3.06Å; Q140-I142 PolarHBondContact O-N 3.35Å; Q140-K143 PolarHBondContact O-N 2.88Å; Q140-H144 WeakPolarHBondContact O-CB 3.36Å; Q140-H144 PolarHBondContact O-N 2.66Å
141R96Very high96.1Very high110 Ų11070.8 Ų70.842%0.41531%0.313SS..Hα-helixtrans-58.8-48.3178.2-73.2-167.3-54.1-99.26.4111.9K137 F138 H144 Q145K137-R141 WeakPolarHBondContact O-CG 3.32Å; K137-R141 PolarHBondContact O-N 2.88Å; F138-R141 PolarHBondContact O-N 3.07Å; R141-H144 PolarHBondContact O-N 3.45Å; R141-Q145 PolarHBondContact O-N 2.87Å; R141-Q145 VanDerWaalsContact O-N 3.11Å
142I95.2Very high96Very high3 Ų371.2 Ų71.22%0.01532%0.315CS..Hα-helixtrans-67.3-41.3-177.9-66.4-65.8000111.7F61 V89 L104 F138 Q140 H144 Q145 H146 F148 L162F61-I142 HydrophobicContact CD2-CG2 3.61Å; F61-I142 HydrophobicContact CE2-CG2 4.15Å; F61-I142 HydrophobicContact CG-CG2 4.43Å; V89-I142 HydrophobicContact CG1-CG2 4.01Å; L104-I142 HydrophobicContact CD2-CD1 4.16Å; F138-I142 HydrophobicContact CD1-CG1 4.33Å; F138-I142 HydrophobicContact CE1-CG1 3.94Å; F138-I142 HydrophobicContact CE2-CG1 4.3Å; F138-I142 HydrophobicContact CZ-CD1 4.32Å; F138-I142 HydrophobicContact CZ-CG1 3.92Å; F138-I142 WeakPolarHBondContact O-CG1 3.36Å; F138-I142 PolarHBondContact O-N 2.88Å; F138-I142 VanDerWaalsContact O-N 3.08Å; Q140-I142 PolarHBondContact O-N 3.35Å; I142-H144 VanDerWaalsContact C-N 3.25Å; I142-H144 PolarHBondContact O-N 3.03Å; I142-Q145 PolarHBondContact O-N 3.26Å; I142-H146 PolarHBondContact O-N 3.35Å; I142-F148 HydrophobicContact CD1-CZ 4.32Å; I142-F148 HydrophobicContact CG2-CE1 4.12Å; I142-F148 HydrophobicContact CG2-CZ 4.16Å; I142-L162 HydrophobicContact CD1-CD1 4.02Å; I142-L162 HydrophobicContact CD1-CD2 3.59Å; I142-L162 HydrophobicContact CD1-CG 4.46Å
143K94.4Very high95.8Very high100 Ų10069.8 Ų69.844%0.43531%0.305SS..Hα-helixtrans-59.2-37.9174.6-80178175.7178.80112.2F61 Q139 Q140F61-K143 HydrophobicContact CE1-CG 3.82Å; F61-K143 HydrophobicContact CE2-CG 4.14Å; F61-K143 HydrophobicContact CZ-CD 4.48Å; F61-K143 HydrophobicContact CZ-CG 3.55Å; Q139-K143 HydrophobicContact CG-CD 4.16Å; Q139-K143 VanDerWaalsContact NE2-NZ 3.14Å; Q139-K143 WeakPolarHBondContact O-CB 3.43Å; Q139-K143 VanDerWaalsContact O-CG 3.31Å; Q139-K143 WeakPolarHBondContact O-CG 3.48Å; Q139-K143 PolarHBondContact O-N 3.46Å; Q140-K143 PolarHBondContact O-N 2.88Å
144H95.8Very high95.2Very high168 Ų16869.1 Ų69.178%0.77831%0.307SS*.Hα-helixtrans-73-37.3-178.9-171.470.4000112.8Q140 R141 I142 H146Q140-H144 WeakPolarHBondContact O-CB 3.36Å; Q140-H144 PolarHBondContact O-N 2.66Å; R141-H144 PolarHBondContact O-N 3.45Å; I142-H144 VanDerWaalsContact C-N 3.25Å; I142-H144 PolarHBondContact O-N 3.03Å; H144-H146 PolarHBondContact O-N 3Å
145Q92.2Very high94.6Very high93 Ų9370.5 Ų70.544%0.43532%0.321SS..Hα-helixtrans-70.6-28.5-175.7-75178.2-29.800113.2R141 I142 Y147 F148R141-Q145 PolarHBondContact O-N 2.87Å; R141-Q145 VanDerWaalsContact O-N 3.11Å; I142-Q145 PolarHBondContact O-N 3.26Å; Q145-Y147 PolarHBondContact O-N 3.24Å; Q145-Y147 VanDerWaalsContact O-O 3.08Å; Q145-F148 HydrophobicContact CB-CB 4.46Å; Q145-F148 HydrophobicContact CB-CD1 4.11Å
146H90.5Very high93.9Very high87 Ų8775 Ų7540%0.40334%0.342SS..SBendtrans49.8-49.3-179.7-162-71.5000116.8T60 F61 I142 H144T60-H146 CarbonylContact C-O 3.47Å; T60-H146 WeakPolarHBondContact CA-O 3.4Å; F61-H146 PolarHBondContact N-O 3.26Å; I142-H146 PolarHBondContact O-N 3.35Å; H144-H146 PolarHBondContact O-N 3Å
147Y95.7Very high93Very high167 Ų16774.4 Ų74.466%0.65534%0.339SS*.EExtended strand (participates in β ladder)trans-118.4125.5170.9-67.4-100.4000109T60 Q145T60-Y147 HydrophobicContact CG2-CD1 3.03Å; T60-Y147 HydrophobicContact CG2-CD2 4.3Å; T60-Y147 HydrophobicContact CG2-CE1 3.05Å; T60-Y147 HydrophobicContact CG2-CE2 4.33Å; T60-Y147 HydrophobicContact CG2-CG 3.67Å; Q145-Y147 PolarHBondContact O-N 3.24Å; Q145-Y147 VanDerWaalsContact O-O 3.08Å
148F96.9Very high92.5Very high19 Ų1975.3 Ų75.38%0.08335%0.349CS..EExtended strand (participates in β ladder)trans-154.1161-178.951.3-90.3000112.1C59 F61 V91 L104 I142 Q145 C150 L162C59-F148 HydrophobicContact CB-CD2 4.33Å; C59-F148 HydrophobicContact CB-CE2 3.95Å; C59-F148 HydrophobicContact CB-CZ 4.33Å; C59-F148 PolarHBondContact N-O 3.02Å; C59-F148 PolarHBondContact O-N 2.92Å; F61-F148 HydrophobicContact CB-CE1 4.31Å; V91-F148 HydrophobicContact CG1-CE2 4.47Å; V91-F148 HydrophobicContact CG1-CZ 3.75Å; L104-F148 HydrophobicContact CD1-CE2 4.34Å; L104-F148 HydrophobicContact CD2-CE2 3.9Å; L104-F148 HydrophobicContact CD2-CZ 3.88Å; I142-F148 HydrophobicContact CD1-CZ 4.32Å; I142-F148 HydrophobicContact CG2-CE1 4.12Å; I142-F148 HydrophobicContact CG2-CZ 4.16Å; Q145-F148 HydrophobicContact CB-CB 4.46Å; Q145-F148 HydrophobicContact CB-CD1 4.11Å; F148-C150 HydrophobicContact CE2-CB 4.47Å; F148-L162 HydrophobicContact CD2-CD1 3.55Å; F148-L162 HydrophobicContact CE2-CD1 3.66Å; F148-L162 HydrophobicContact CG-CD1 4.49Å
149Q96.1Very high92.4Very high89 Ų8976.4 Ų76.442%0.41635%0.354SS..EExtended strand (participates in β ladder)trans-71138.2172.9-59.6-56.2-23.200110.2H56 T57 N58H56-Q149 PolarHBondContact CE1-OE1 2.86Å; H56-Q149 PolarHBondContact NE2-OE1 3.49Å; T57-Q149 PolarHBondContact O-OE1 2.9Å; N58-Q149 PolarHBondContact OD1-NE2 2.77Å; N58-Q149 PolarHBondContact OD1-OE1 3.11Å
150C96.5Very high92.3Very high0 Ų075 Ų750%035%0.348CS..EExtended strand (participates in β ladder)trans-146.7177.6177.767.10000109.7T57 C59 F148 L161T57-C150 VanDerWaalsContact CG2-SG 3.5Å; T57-C150 PolarHBondContact N-O 3.49Å; T57-C150 PolarHBondContact O-N 3.02Å; C59-C150 HydrophobicContact CB-CB 3.65Å; C59-C150 WeakPolarHBondContact CB-SG 3.41Å; C59-C150 PolarHBondContact N-SG 2.7Å; C59-C150 WeakPolarHBondContact SG-CB 3.37Å; C59-C150 CovalentContact SG-SG 2.01Å; C59-C150 PolarHBondContact SG-SG 3.45Å; F148-C150 HydrophobicContact CE2-CB 4.47Å; C150-L161 CarbonylContact C-O 3.53Å; C150-L161 WeakPolarHBondContact CA-O 3.22Å
151Y96.3Very high92.3Very high60 Ų6069 Ų6924%0.23532%0.319CS..EExtended strand (participates in β ladder)trans-130.5126.6179.2-52.1-95.1000110.6T55 H56 A160 L161 K164T55-Y151 CarbonylContact O-C 3.43Å; T55-Y151 WeakPolarHBondContact O-CA 3.25Å; H56-Y151 HydrophobicContact CB-CD1 4.03Å; H56-Y151 HydrophobicContact CB-CE1 3.99Å; H56-Y151 AromaticContact CD2-CE1 3.91Å; Y151-A160 CarbonylContact O-C 3.55Å; Y151-A160 WeakPolarHBondContact O-CA 3.34Å; Y151-L161 PolarHBondContact N-O 3.14Å; Y151-L161 PolarHBondContact O-N 2.88Å; Y151-K164 HydrophobicContact CD1-CD 3.35Å; Y151-K164 HydrophobicContact CD1-CG 4.06Å; Y151-K164 HydrophobicContact CD2-CD 4Å; Y151-K164 HydrophobicContact CD2-CG 3.75Å; Y151-K164 HydrophobicContact CE1-CD 3.59Å; Y151-K164 HydrophobicContact CE1-CG 4.18Å; Y151-K164 HydrophobicContact CE2-CB 4.32Å; Y151-K164 HydrophobicContact CE2-CD 4.21Å; Y151-K164 HydrophobicContact CE2-CG 3.88Å; Y151-K164 HydrophobicContact CG-CD 3.57Å; Y151-K164 HydrophobicContact CG-CG 3.84Å
152I94.8Very high92.4Very high8 Ų864.1 Ų64.14%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-102.5140.1-179-55.7-59.6000109.9F54 T55 T57 Y93 V102 A160F54-I152 CarbonylContact C-O 3.57Å; F54-I152 VanDerWaalsContact CA-O 3.25Å; F54-I152 WeakPolarHBondContact CA-O 3.33Å; T55-I152 PolarHBondContact N-O 3.26Å; T55-I152 PolarHBondContact O-N 2.88Å; T55-I152 PolarHBondContact OG1-O 2.92Å; T57-I152 HydrophobicContact CG2-CD1 4.16Å; T57-I152 HydrophobicContact CG2-CG1 3.41Å; T57-I152 VanDerWaalsContact CG2-CG1 3.41Å; Y93-I152 HydrophobicContact CD1-CD1 3.55Å; Y93-I152 HydrophobicContact CD1-CG1 3.9Å; Y93-I152 HydrophobicContact CD2-CD1 4.5Å; Y93-I152 HydrophobicContact CD2-CG1 3.97Å; Y93-I152 HydrophobicContact CE1-CD1 3.85Å; Y93-I152 HydrophobicContact CE1-CG1 4.01Å; Y93-I152 HydrophobicContact CE1-CG2 3.96Å; Y93-I152 HydrophobicContact CE2-CG1 4.06Å; Y93-I152 HydrophobicContact CE2-CG2 4.24Å; Y93-I152 HydrophobicContact CG-CD1 3.93Å; Y93-I152 HydrophobicContact CG-CG1 3.9Å; V102-I152 HydrophobicContact CG2-CD1 4.16Å; I152-A160 HydrophobicContact CD1-CB 3.56Å
153H92Very high92.4Very high21 Ų2168.7 Ų68.710%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-69.7130175.4-165.9-52.2000110.8F54 I155 H156 E159F54-H153 HydrophobicContact CD1-CB 3.82Å; F54-H153 HydrophobicContact CE1-CB 3.56Å; F54-H153 AromaticContact CE2-CD2 3.69Å; F54-H153 HydrophobicContact CG-CB 4.45Å; F54-H153 HydrophobicContact CZ-CB 3.98Å; F54-H153 AromaticContact CZ-CD2 3.51Å; H153-I155 PolarHBondContact ND1-N 3.5Å; H153-I155 VanDerWaalsContact ND1-N 3.11Å; H153-I155 PolarHBondContact O-N 3.39Å; H153-H156 HydrophobicContact CB-CB 4.18Å; H153-H156 WeakPolarHBondContact CB-O 3.46Å; H153-H156 AromaticContact CE1-CD2 3.75Å; H153-H156 PolarHBondContact ND1-N 2.86Å; H153-H156 AromaticContact NE2-CD2 3.68Å; H153-E159 PolarHBondContact N-O 3.27Å
154T86.4Confident92.4Very high77 Ų7767.1 Ų67.147%0.47231%0.312SS..SBendtrans-63.4-36.5-176.853.40000114.8A53 T55A53-T154 VanDerWaalsContact O-CG2 3.32Å; A53-T154 WeakPolarHBondContact O-CG2 3.36Å; A53-T154 PolarHBondContact O-N 2.9Å; A53-T154 PolarHBondContact O-OG1 3.33Å; T55-T154 HydrophobicContact CG2-CG2 3.55Å
155I84.3Confident92.1Very high133 Ų13365 Ų6568%0.68230%0.301SS*.SBendtrans-94.3-40.7179.4-54.8172.9000112.4H153H153-I155 PolarHBondContact ND1-N 3.5Å; H153-I155 VanDerWaalsContact ND1-N 3.11Å; H153-I155 PolarHBondContact O-N 3.39Å
156H83.3Confident91.9Very high94 Ų9463.8 Ų63.844%0.43529%0.293SS..  trans-10376.4-177.8-62.9-55.8000110.7H153 D158 E159H153-H156 HydrophobicContact CB-CB 4.18Å; H153-H156 WeakPolarHBondContact CB-O 3.46Å; H153-H156 AromaticContact CE1-CD2 3.75Å; H153-H156 PolarHBondContact ND1-N 2.86Å; H153-H156 AromaticContact NE2-CD2 3.68Å; H156-D158 PolarHBondContact O-N 3.33Å; H156-E159 PolarHBondContact O-N 3.34Å
157E78.1Confident91.9Very high77 Ų7763 Ų6336%0.3630%0.295SS..THydrogen-bonded Turntrans-58.7-4.6-175.6-67-167.5163.900115.2H100 V102H100-E157 IonicContact CE1-OE2 2.72Å; H100-E157 PolarHBondContact CE1-OE2 2.97Å; H100-E157 IonicContact ND1-OE2 2.84Å; V102-E157 WeakPolarHBondContact CG1-O 3.42Å
158D88Confident91.7Very high117 Ų11761.8 Ų61.863%0.62629%0.293SS*.THydrogen-bonded Turntrans-88.30.7178.8-61.5-33.1000114.1V102 I103 H156V102-D158 WeakPolarHBondContact CA-O 3.43Å; V102-D158 WeakPolarHBondContact CB-O 3.46Å; I103-D158 PolarHBondContact N-O 3.47Å; H156-D158 PolarHBondContact O-N 3.33Å
159E93.4Very high91.5Very high25 Ų2564.7 Ų64.712%0.11731%0.312CS..EExtended strand (participates in β ladder)trans-131.6131.9-168.1-59.7176.3155.300112.5F105 Y111 K115 H153 H156F105-E159 HydrophobicContact CE2-CG 4.47Å; Y111-E159 HydrophobicContact CE2-CB 4.15Å; Y111-E159 HydrophobicContact CE2-CG 4.26Å; Y111-E159 WeakPolarHBondContact CE2-OE2 3.27Å; Y111-E159 VanDerWaalsContact CZ-OE2 3.24Å; Y111-E159 PolarHBondContact OH-OE2 3.45Å; K115-E159 WeakPolarHBondContact CD-OE1 3.2Å; K115-E159 WeakPolarHBondContact CE-OE1 3.37Å; K115-E159 IonicContact NZ-OE1 3.58Å; K115-E159 PolarHBondContact NZ-OE1 3.25Å; K115-E159 IonicContact NZ-OE2 3.36Å; K115-E159 PolarHBondContact NZ-OE2 3.43Å; H153-E159 PolarHBondContact N-O 3.27Å; H156-E159 PolarHBondContact O-N 3.34Å
160A96.2Very high91.2Very high0 Ų062.8 Ų62.80%031%0.309CS..EExtended strand (participates in β ladder)trans-128.2146.5-179.300000112.7V91 V102 I103 L104 F105 Y151 I152V91-A160 HydrophobicContact CG2-CB 4.32Å; V102-A160 HydrophobicContact CG2-CB 3.73Å; I103-A160 PolarHBondContact O-N 2.74Å; L104-A160 HydrophobicContact CD1-CB 3.96Å; F105-A160 PolarHBondContact N-O 3.41Å; Y151-A160 CarbonylContact O-C 3.55Å; Y151-A160 WeakPolarHBondContact O-CA 3.34Å; I152-A160 HydrophobicContact CD1-CB 3.56Å
161L97Very high91Very high0 Ų063.3 Ų63.30%031%0.312CS..EExtended strand (participates in β ladder)trans-108.2142.7168.6-60.6-179.6000110.5E51 F54 F105 I108 Y111 C150 Y151E51-L161 HydrophobicContact CG-CD1 4.11Å; F54-L161 HydrophobicContact CB-CD1 4.3Å; F54-L161 HydrophobicContact CD1-CB 4.38Å; F54-L161 HydrophobicContact CD1-CD1 3.88Å; F54-L161 HydrophobicContact CD1-CG 3.66Å; F54-L161 HydrophobicContact CD2-CD1 3.67Å; F54-L161 HydrophobicContact CD2-CG 4.34Å; F54-L161 HydrophobicContact CE1-CD1 4.02Å; F54-L161 HydrophobicContact CE1-CD2 4.29Å; F54-L161 HydrophobicContact CE1-CG 3.62Å; F54-L161 HydrophobicContact CE2-CD1 3.83Å; F54-L161 HydrophobicContact CE2-CG 4.32Å; F54-L161 HydrophobicContact CG-CD1 3.69Å; F54-L161 HydrophobicContact CG-CG 4.03Å; F54-L161 HydrophobicContact CZ-CD1 3.99Å; F54-L161 HydrophobicContact CZ-CD2 4.37Å; F54-L161 HydrophobicContact CZ-CG 3.96Å; F105-L161 HydrophobicContact CB-CD2 3.91Å; F105-L161 CarbonylContact O-C 3.59Å; F105-L161 VanDerWaalsContact O-CA 3.29Å; F105-L161 WeakPolarHBondContact O-CA 3.26Å; I108-L161 HydrophobicContact CB-CD1 4.31Å; I108-L161 HydrophobicContact CD1-CD1 4.26Å; Y111-L161 HydrophobicContact CG-CD2 4.48Å; C150-L161 CarbonylContact C-O 3.53Å; C150-L161 WeakPolarHBondContact CA-O 3.22Å; Y151-L161 PolarHBondContact N-O 3.14Å; Y151-L161 PolarHBondContact O-N 2.88Å
162L96.8Very high91Very high8 Ų864.5 Ų64.54%0.04232%0.319CS..SBendtrans-81.4-47.6172.6-177.163.7000111L104 F105 F138 I142 F148L104-L162 HydrophobicContact CD1-CB 4.16Å; L104-L162 HydrophobicContact CG-CB 4.49Å; F105-L162 PolarHBondContact O-N 2.85Å; F138-L162 HydrophobicContact CE2-CD2 3.84Å; F138-L162 HydrophobicContact CZ-CD2 4.15Å; I142-L162 HydrophobicContact CD1-CD1 4.02Å; I142-L162 HydrophobicContact CD1-CD2 3.59Å; I142-L162 HydrophobicContact CD1-CG 4.46Å; F148-L162 HydrophobicContact CD2-CD1 3.55Å; F148-L162 HydrophobicContact CE2-CD1 3.66Å; F148-L162 HydrophobicContact CG-CD1 4.49Å
163Y95.5Very high90.9Very high100 Ų10068.2 Ų68.239%0.39234%0.336SS..  trans-124.7143.3-179-59.7-63.7000112.2D106 F165D106-Y163 PolarHBondContact O-N 2.98Å; D106-Y163 WeakPolarHBondContact OD1-CD2 3.46Å; Y163-F165 HydrophobicContact CG-CE1 4.49Å; Y163-F165 HydrophobicContact CG-CZ 4.42Å
164K93.9Very high90.9Very high67 Ų6768.2 Ų68.229%0.29134%0.338SS..  trans-110.9128.1166.2-68.5-176.962.8163.10108.8E51 F54 Y151E51-K164 HydrophobicContact CG-CB 4.15Å; E51-K164 HydrophobicContact CG-CD 4.26Å; E51-K164 HydrophobicContact CG-CG 3.77Å; E51-K164 WeakPolarHBondContact O-CE 3.48Å; E51-K164 PolarHBondContact O-NZ 2.81Å; E51-K164 VanDerWaalsContact OE1-CA 3.28Å; E51-K164 WeakPolarHBondContact OE1-CA 3.47Å; E51-K164 WeakPolarHBondContact OE2-CB 3.35Å; F54-K164 PolarHBondContact O-NZ 2.84Å; Y151-K164 HydrophobicContact CD1-CD 3.35Å; Y151-K164 HydrophobicContact CD1-CG 4.06Å; Y151-K164 HydrophobicContact CD2-CD 4Å; Y151-K164 HydrophobicContact CD2-CG 3.75Å; Y151-K164 HydrophobicContact CE1-CD 3.59Å; Y151-K164 HydrophobicContact CE1-CG 4.18Å; Y151-K164 HydrophobicContact CE2-CB 4.32Å; Y151-K164 HydrophobicContact CE2-CD 4.21Å; Y151-K164 HydrophobicContact CE2-CG 3.88Å; Y151-K164 HydrophobicContact CG-CD 3.57Å; Y151-K164 HydrophobicContact CG-CG 3.84Å
165F90Very high91.3Very high123 Ų12367.1 Ų67.154%0.53933%0.328SS..  trans-108-23.8-179.3-57.2-62000112.8E51 N107 Y163 T167E51-F165 PolarHBondContact OE1-N 3.15Å; E51-F165 PolarHBondContact OE2-N 2.91Å; N107-F165 HydrophobicContact CB-CD2 3.92Å; N107-F165 HydrophobicContact CB-CE2 3.3Å; N107-F165 HydrophobicContact CB-CZ 4.2Å; Y163-F165 HydrophobicContact CG-CE1 4.49Å; Y163-F165 HydrophobicContact CG-CZ 4.42Å; F165-T167 PolarHBondContact O-N 3.44Å
166Y89.5Confident91.9Very high68 Ų6864.5 Ų64.527%0.26731%0.312SS..  trans-89.8112.2-176.2-62.4-80.9000110.2L43 V44 P47 Y48 E51 I108L43-Y166 PolarHBondContact O-OH 2.9Å; V44-Y166 HydrophobicContact CB-CE1 4.46Å; V44-Y166 HydrophobicContact CG1-CD1 3.98Å; V44-Y166 HydrophobicContact CG1-CE1 4.21Å; P47-Y166 HydrophobicContact CB-CD2 4.25Å; P47-Y166 HydrophobicContact CB-CE2 3.7Å; P47-Y166 HydrophobicContact CG-CE1 4.03Å; P47-Y166 HydrophobicContact CG-CE2 4.03Å; Y48-Y166 WeakPolarHBondContact CD2-O 3.43Å; E51-Y166 WeakPolarHBondContact OE2-CB 3.29Å; E51-Y166 PolarHBondContact OE2-N 3.28Å; I108-Y166 HydrophobicContact CG2-CD2 4.03Å; I108-Y166 HydrophobicContact CG2-CE2 3.73Å
167T88.7Confident92.4Very high71 Ų7166.6 Ų66.644%0.43632%0.316SS..  trans-96.2157.7174.469.80000110.7F165 T169 S170 V171F165-T167 PolarHBondContact O-N 3.44Å; T167-T169 PolarHBondContact O-N 3.46Å; T167-S170 WeakPolarHBondContact O-CB 3.41Å; T167-S170 PolarHBondContact O-N 3.48Å; T167-S170 VanDerWaalsContact O-N 3.09Å; T167-S170 PolarHBondContact OG1-N 2.73Å; T167-S170 VanDerWaalsContact OG1-N 3.13Å; T167-S170 PolarHBondContact OG1-OG 2.88Å; T167-V171 PolarHBondContact O-N 2.82Å
168F91.2Very high93.3Very high140 Ų14063.5 Ų63.561%0.61430%0.303SS*.Hα-helixtrans-55.5-37.8171.1178.9-100.3000111.5S170 V171 F172F168-S170 PolarHBondContact O-N 3.17Å; F168-V171 PolarHBondContact O-N 3.34Å; F168-F172 WeakPolarHBondContact O-CB 3.44Å; F168-F172 PolarHBondContact O-N 2.97Å
169T92.7Very high93.6Very high81 Ų8161.5 Ų61.550%0.49729%0.291SS..Hα-helixtrans-60.9-42176.3-52.10000112.3T167 V171 F172 H173T167-T169 PolarHBondContact O-N 3.46Å; T169-V171 VanDerWaalsContact C-N 3.34Å; T169-V171 PolarHBondContact O-N 3.47Å; T169-F172 PolarHBondContact O-N 2.92Å; T169-H173 PolarHBondContact O-CD2 3.39Å; T169-H173 PolarHBondContact O-N 2.99Å
170S90.3Very high93.8Very high48 Ų4862.7 Ų62.734%0.33630%0.298SS..Hα-helixtrans-61.5-42.9175.9-54.40000111.6T167 F168 S174T167-S170 WeakPolarHBondContact O-CB 3.41Å; T167-S170 PolarHBondContact O-N 3.48Å; T167-S170 VanDerWaalsContact O-N 3.09Å; T167-S170 PolarHBondContact OG1-N 2.73Å; T167-S170 VanDerWaalsContact OG1-N 3.13Å; T167-S170 PolarHBondContact OG1-OG 2.88Å; F168-S170 PolarHBondContact O-N 3.17Å; S170-S174 WeakPolarHBondContact O-CB 3.37Å; S170-S174 PolarHBondContact O-N 3.29Å; S170-S174 PolarHBondContact O-OG 2.93Å
171V93.4Very high93.8Very high12 Ų1266.9 Ų66.97%0.07332%0.32CS..Hα-helixtrans-65.4-46.2176.5173.40000111.2V44 V45 Y48 T167 F168 T169 H173 S174 I175V44-V171 HydrophobicContact CG1-CG2 4.26Å; V45-V171 HydrophobicContact CG2-CG1 4.35Å; Y48-V171 HydrophobicContact CD1-CG2 3.64Å; Y48-V171 HydrophobicContact CD2-CG2 3.69Å; Y48-V171 HydrophobicContact CE1-CG2 4.22Å; Y48-V171 HydrophobicContact CE2-CG2 4.27Å; Y48-V171 HydrophobicContact CG-CG2 3.32Å; T167-V171 PolarHBondContact O-N 2.82Å; F168-V171 PolarHBondContact O-N 3.34Å; T169-V171 VanDerWaalsContact C-N 3.34Å; T169-V171 PolarHBondContact O-N 3.47Å; V171-H173 PolarHBondContact O-N 3.44Å; V171-S174 PolarHBondContact O-N 3.27Å; V171-S174 VanDerWaalsContact O-N 3.15Å; V171-I175 HydrophobicContact CG1-CD1 3.77Å; V171-I175 PolarHBondContact O-N 3.47Å; V171-I175 VanDerWaalsContact O-N 3.09Å
172F95.2Very high93.9Very high85 Ų8570 Ų7037%0.37333%0.334SS..Hα-helixtrans-55.2-52.9177.9175.3-97.4000111F168 T169 S174 I175 F176F168-F172 WeakPolarHBondContact O-CB 3.44Å; F168-F172 PolarHBondContact O-N 2.97Å; T169-F172 PolarHBondContact O-N 2.92Å; F172-S174 VanDerWaalsContact C-N 3.27Å; F172-S174 PolarHBondContact O-N 3.26Å; F172-I175 PolarHBondContact O-N 2.9Å; F172-F176 HydrophobicContact CD1-CB 4.39Å; F172-F176 HydrophobicContact CD2-CB 4.43Å; F172-F176 HydrophobicContact CE1-CB 4.09Å; F172-F176 HydrophobicContact CE1-CD1 4.01Å; F172-F176 HydrophobicContact CE1-CD2 4.32Å; F172-F176 HydrophobicContact CE1-CE1 4.46Å; F172-F176 AromaticContact CE1-CG 3.91Å; F172-F176 HydrophobicContact CE1-CG 3.91Å; F172-F176 HydrophobicContact CE2-CB 4.15Å; F172-F176 AromaticContact CE2-CD2 3.79Å; F172-F176 HydrophobicContact CE2-CD2 3.79Å; F172-F176 HydrophobicContact CE2-CE2 4.35Å; F172-F176 HydrophobicContact CE2-CG 4.06Å; F172-F176 HydrophobicContact CZ-CB 3.97Å; F172-F176 AromaticContact CZ-CD1 3.97Å; F172-F176 HydrophobicContact CZ-CD1 3.97Å; F172-F176 AromaticContact CZ-CD2 3.5Å; F172-F176 HydrophobicContact CZ-CD2 3.5Å; F172-F176 HydrophobicContact CZ-CE1 4.26Å; F172-F176 AromaticContact CZ-CE2 3.83Å; F172-F176 HydrophobicContact CZ-CE2 3.83Å; F172-F176 AromaticContact CZ-CG 3.56Å; F172-F176 HydrophobicContact CZ-CG 3.56Å; F172-F176 HydrophobicContact CZ-CZ 4.18Å; F172-F176 WeakPolarHBondContact O-CB 3.28Å; F172-F176 PolarHBondContact O-N 3.02Å
173H93.3Very high93.9Very high86 Ų8673.7 Ų73.740%0.39835%0.353SS..Hα-helixtrans-64.6-31.9179.3-71.5-54.2000113.4T169 V171 I175 W177T169-H173 PolarHBondContact O-CD2 3.39Å; T169-H173 PolarHBondContact O-N 2.99Å; V171-H173 PolarHBondContact O-N 3.44Å; H173-I175 VanDerWaalsContact C-N 3.33Å; H173-W177 AromaticContact ND1-CD1 3.9Å; H173-W177 AromaticContact ND1-NE1 3.24Å; H173-W177 PolarHBondContact ND1-NE1 3.45Å; H173-W177 VanDerWaalsContact O-CD1 3.29Å
174S92.9Very high94Very high20 Ų2074 Ų7414%0.1436%0.361CS..Hα-helixtrans-68.7-32179.4-60.20000112.8L40 S170 V171 F172 P178L40-S174 VanDerWaalsContact CD1-O 3.3Å; L40-S174 WeakPolarHBondContact CD1-O 2.99Å; S170-S174 WeakPolarHBondContact O-CB 3.37Å; S170-S174 PolarHBondContact O-N 3.29Å; S170-S174 PolarHBondContact O-OG 2.93Å; V171-S174 PolarHBondContact O-N 3.27Å; V171-S174 VanDerWaalsContact O-N 3.15Å; F172-S174 VanDerWaalsContact C-N 3.27Å; F172-S174 PolarHBondContact O-N 3.26Å; S174-P178 VanDerWaalsContact O-CD 3.3Å; S174-P178 WeakPolarHBondContact O-CD 3.33Å; S174-P178 WeakPolarHBondContact O-CG 3.47Å
175I94.3Very high94.1Very high54 Ų5471.1 Ų71.128%0.27735%0.349SS..Hα-helixtrans-94.4-42.8-179.2-64.2172.8000111.1V45 V171 F172 H173 I179V45-I175 HydrophobicContact CG1-CD1 4.44Å; V45-I175 HydrophobicContact CG2-CD1 3.77Å; V45-I175 HydrophobicContact CG2-CG1 3.87Å; V171-I175 HydrophobicContact CG1-CD1 3.77Å; V171-I175 PolarHBondContact O-N 3.47Å; V171-I175 VanDerWaalsContact O-N 3.09Å; F172-I175 PolarHBondContact O-N 2.9Å; H173-I175 VanDerWaalsContact C-N 3.33Å; I175-I179 HydrophobicContact CG2-CD1 3.49Å; I175-I179 VanDerWaalsContact CG2-CD1 3.49Å; I175-I179 HydrophobicContact CG2-CG1 4.45Å; I175-I179 WeakPolarHBondContact O-CB 3.26Å; I175-I179 VanDerWaalsContact O-CG1 3.24Å; I175-I179 WeakPolarHBondContact O-CG1 3.21Å; I175-I179 PolarHBondContact O-N 3.44Å
176F95.8Very high94.5Very high78 Ų7870.4 Ų70.434%0.34235%0.346SS..Hα-helixtrans-65.5-47.1-169.5179.6-102.3000112.8F172 I180F172-F176 HydrophobicContact CD1-CB 4.39Å; F172-F176 HydrophobicContact CD2-CB 4.43Å; F172-F176 HydrophobicContact CE1-CB 4.09Å; F172-F176 HydrophobicContact CE1-CD1 4.01Å; F172-F176 HydrophobicContact CE1-CD2 4.32Å; F172-F176 HydrophobicContact CE1-CE1 4.46Å; F172-F176 AromaticContact CE1-CG 3.91Å; F172-F176 HydrophobicContact CE1-CG 3.91Å; F172-F176 HydrophobicContact CE2-CB 4.15Å; F172-F176 AromaticContact CE2-CD2 3.79Å; F172-F176 HydrophobicContact CE2-CD2 3.79Å; F172-F176 HydrophobicContact CE2-CE2 4.35Å; F172-F176 HydrophobicContact CE2-CG 4.06Å; F172-F176 HydrophobicContact CZ-CB 3.97Å; F172-F176 AromaticContact CZ-CD1 3.97Å; F172-F176 HydrophobicContact CZ-CD1 3.97Å; F172-F176 AromaticContact CZ-CD2 3.5Å; F172-F176 HydrophobicContact CZ-CD2 3.5Å; F172-F176 HydrophobicContact CZ-CE1 4.26Å; F172-F176 AromaticContact CZ-CE2 3.83Å; F172-F176 HydrophobicContact CZ-CE2 3.83Å; F172-F176 AromaticContact CZ-CG 3.56Å; F172-F176 HydrophobicContact CZ-CG 3.56Å; F172-F176 HydrophobicContact CZ-CZ 4.18Å; F172-F176 WeakPolarHBondContact O-CB 3.28Å; F172-F176 PolarHBondContact O-N 3.02Å; F176-I180 HydrophobicContact CD1-CD1 3.75Å; F176-I180 HydrophobicContact CD2-CD1 3.85Å; F176-I180 HydrophobicContact CE1-CD1 3.28Å; F176-I180 HydrophobicContact CE2-CD1 3.39Å; F176-I180 HydrophobicContact CE2-CG1 4.45Å; F176-I180 HydrophobicContact CG-CD1 4.03Å; F176-I180 HydrophobicContact CZ-CD1 3.08Å; F176-I180 HydrophobicContact CZ-CG1 4.47Å; F176-I180 WeakPolarHBondContact O-CB 3.4Å; F176-I180 WeakPolarHBondContact O-CG1 3.47Å; F176-I180 PolarHBondContact O-N 2.9Å
177W95.3Very high94.8Very high138 Ų13871.5 Ų71.552%0.52336%0.356SS..Hα-helixtrans-69.4-47.5-174.5-67.6124.1000113.5H173 I179 I180 L181H173-W177 AromaticContact ND1-CD1 3.9Å; H173-W177 AromaticContact ND1-NE1 3.24Å; H173-W177 PolarHBondContact ND1-NE1 3.45Å; H173-W177 VanDerWaalsContact O-CD1 3.29Å; W177-I179 VanDerWaalsContact C-N 3.34Å; W177-I179 PolarHBondContact O-N 2.7Å; W177-I180 PolarHBondContact O-N 3.3Å; W177-L181 WeakPolarHBondContact O-CG 3.26Å; W177-L181 PolarHBondContact O-N 3.43Å
178P95.4Very high95.2Very high13 Ų1370.3 Ų70.38%0.08435%0.35CS..Hα-helixtrans-62.3-40.5177.3-22.534.6000112.5I36 E37 L40 S174 L181 F182I36-P178 HydrophobicContact CG2-CG 4.49Å; E37-P178 HydrophobicContact CB-CB 4.39Å; E37-P178 WeakPolarHBondContact OE2-CB 3.13Å; E37-P178 WeakPolarHBondContact OE2-CG 3.47Å; L40-P178 HydrophobicContact CD1-CG 4.03Å; S174-P178 VanDerWaalsContact O-CD 3.3Å; S174-P178 WeakPolarHBondContact O-CD 3.33Å; S174-P178 WeakPolarHBondContact O-CG 3.47Å; P178-L181 PolarHBondContact O-N 3.33Å; P178-F182 WeakPolarHBondContact O-CB 3.28Å; P178-F182 PolarHBondContact O-N 3.38Å
179I95.6Very high95.3Very high74 Ų7465.2 Ų65.238%0.37933%0.329SS..Hα-helixtrans-62.6-45.7176.9-68.9178.6000111.3I175 W177 L181 F182 L183I175-I179 HydrophobicContact CG2-CD1 3.49Å; I175-I179 VanDerWaalsContact CG2-CD1 3.49Å; I175-I179 HydrophobicContact CG2-CG1 4.45Å; I175-I179 WeakPolarHBondContact O-CB 3.26Å; I175-I179 VanDerWaalsContact O-CG1 3.24Å; I175-I179 WeakPolarHBondContact O-CG1 3.21Å; I175-I179 PolarHBondContact O-N 3.44Å; W177-I179 VanDerWaalsContact C-N 3.34Å; W177-I179 PolarHBondContact O-N 2.7Å; I179-L181 VanDerWaalsContact C-N 3.34Å; I179-L181 PolarHBondContact O-N 2.85Å; I179-F182 WeakPolarHBondContact O-CB 3.47Å; I179-F182 PolarHBondContact O-N 3.31Å; I179-L183 HydrophobicContact CG2-CD1 3.94Å; I179-L183 HydrophobicContact CG2-CG 4.28Å; I179-L183 VanDerWaalsContact O-CG 3.29Å; I179-L183 WeakPolarHBondContact O-CG 3.23Å; I179-L183 PolarHBondContact O-N 3.25Å
180I96.9Very high95.4Very high50 Ų5067.9 Ų67.926%0.25633%0.331SS..Hα-helixtrans-62.3-43.8177.8-78174.2000111.3F176 W177 F182 L183 L184F176-I180 HydrophobicContact CD1-CD1 3.75Å; F176-I180 HydrophobicContact CD2-CD1 3.85Å; F176-I180 HydrophobicContact CE1-CD1 3.28Å; F176-I180 HydrophobicContact CE2-CD1 3.39Å; F176-I180 HydrophobicContact CE2-CG1 4.45Å; F176-I180 HydrophobicContact CG-CD1 4.03Å; F176-I180 HydrophobicContact CZ-CD1 3.08Å; F176-I180 HydrophobicContact CZ-CG1 4.47Å; F176-I180 WeakPolarHBondContact O-CB 3.4Å; F176-I180 WeakPolarHBondContact O-CG1 3.47Å; F176-I180 PolarHBondContact O-N 2.9Å; W177-I180 PolarHBondContact O-N 3.3Å; I180-F182 VanDerWaalsContact C-N 3.31Å; I180-F182 PolarHBondContact O-N 3.24Å; I180-L183 PolarHBondContact O-N 3.13Å; I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 HydrophobicContact CG2-CG 4.17Å; I180-L184 WeakPolarHBondContact O-CB 3.28Å; I180-L184 VanDerWaalsContact O-CG 3.28Å; I180-L184 WeakPolarHBondContact O-CG 3.27Å; I180-L184 PolarHBondContact O-N 3.13Å
181L96.8Very high95.6Very high89 Ų8969.5 Ų69.547%0.46634%0.335SS..Hα-helixtrans-62.7-39.9177.1-71.3174.4000111.8T33 W177 P178 I179 S185T33-L181 HydrophobicContact CG2-CB 3.76Å; T33-L181 HydrophobicContact CG2-CD1 4.43Å; W177-L181 WeakPolarHBondContact O-CG 3.26Å; W177-L181 PolarHBondContact O-N 3.43Å; P178-L181 PolarHBondContact O-N 3.33Å; I179-L181 VanDerWaalsContact C-N 3.34Å; I179-L181 PolarHBondContact O-N 2.85Å; L181-S185 VanDerWaalsContact O-CB 3.26Å; L181-S185 WeakPolarHBondContact O-CB 3.33Å; L181-S185 PolarHBondContact O-N 3.4Å
182F97.5Very high95.5Very high65 Ų6570 Ų7029%0.28534%0.337SS..Hα-helixtrans-60.1-49.1173.7-178.2-86.7000111.3M30 P178 I179 I180 S185 F186M30-F182 HydrophobicContact CB-CD2 4.14Å; M30-F182 HydrophobicContact CB-CE2 4.02Å; M30-F182 HydrophobicContact CE-CE1 4.3Å; M30-F182 HydrophobicContact CE-CE2 3.73Å; M30-F182 HydrophobicContact CE-CZ 3.57Å; M30-F182 HydrophobicContact CG-CD2 4.19Å; M30-F182 HydrophobicContact CG-CE2 4.18Å; P178-F182 WeakPolarHBondContact O-CB 3.28Å; P178-F182 PolarHBondContact O-N 3.38Å; I179-F182 WeakPolarHBondContact O-CB 3.47Å; I179-F182 PolarHBondContact O-N 3.31Å; I180-F182 VanDerWaalsContact C-N 3.31Å; I180-F182 PolarHBondContact O-N 3.24Å; F182-S185 PolarHBondContact O-N 2.99Å; F182-F186 WeakPolarHBondContact O-CB 3.47Å; F182-F186 PolarHBondContact O-N 2.82Å
183L97.4Very high95.4Very high86 Ų8671.7 Ų71.745%0.4534%0.341SS..Hα-helixtrans-64.5-43.8-179.9-69.2175.8000112.2I179 I180 S185 F186 I187I179-L183 HydrophobicContact CG2-CD1 3.94Å; I179-L183 HydrophobicContact CG2-CG 4.28Å; I179-L183 VanDerWaalsContact O-CG 3.29Å; I179-L183 WeakPolarHBondContact O-CG 3.23Å; I179-L183 PolarHBondContact O-N 3.25Å; I180-L183 PolarHBondContact O-N 3.13Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 3.17Å; L183-F186 PolarHBondContact O-N 2.8Å; L183-I187 WeakPolarHBondContact O-CB 3.35Å; L183-I187 WeakPolarHBondContact O-CD1 3.2Å; L183-I187 WeakPolarHBondContact O-CG1 3.35Å; L183-I187 PolarHBondContact O-N 2.98Å
184L97.4Very high95.3Very high105 Ų10571.8 Ų71.855%0.5534%0.344SS..Hα-helixtrans-62.1-41.7176.5-71.9175000111.4I180 I187 C188I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 HydrophobicContact CG2-CG 4.17Å; I180-L184 WeakPolarHBondContact O-CB 3.28Å; I180-L184 VanDerWaalsContact O-CG 3.28Å; I180-L184 WeakPolarHBondContact O-CG 3.27Å; I180-L184 PolarHBondContact O-N 3.13Å; L184-I187 PolarHBondContact O-N 3.21Å; L184-C188 WeakPolarHBondContact O-CB 3.38Å; L184-C188 PolarHBondContact O-N 3.46Å
185S97.2Very high95.2Very high7 Ų779 Ų795%0.04937%0.373CS..Hα-helixtrans-65.4-43.3176.3-168.30000112.1C26 L181 F182 L183 C188 L189C26-S185 VanDerWaalsContact C-OG 3.25Å; C26-S185 WeakPolarHBondContact CA-OG 3.13Å; C26-S185 VanDerWaalsContact CB-OG 3.26Å; C26-S185 WeakPolarHBondContact CB-OG 3.4Å; C26-S185 PolarHBondContact O-OG 3.02Å; L181-S185 VanDerWaalsContact O-CB 3.26Å; L181-S185 WeakPolarHBondContact O-CB 3.33Å; L181-S185 PolarHBondContact O-N 3.4Å; F182-S185 PolarHBondContact O-N 2.99Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 3.17Å; S185-C188 WeakPolarHBondContact O-CB 3.27Å; S185-C188 PolarHBondContact O-N 3.36Å; S185-L189 PolarHBondContact O-N 3.19Å
186F97.2Very high94.9Very high109 Ų10977.7 Ų77.748%0.47837%0.367SS..Hα-helixtrans-61.1-45175.6-179.6-96.6000112M30 F182 L183 C188 L189 Y190M30-F186 HydrophobicContact CE-CB 4.36Å; M30-F186 HydrophobicContact CE-CD2 3.82Å; M30-F186 HydrophobicContact SD-CB 4.24Å; M30-F186 HydrophobicContact SD-CD2 4.35Å; F182-F186 WeakPolarHBondContact O-CB 3.47Å; F182-F186 PolarHBondContact O-N 2.82Å; L183-F186 PolarHBondContact O-N 2.8Å; F186-C188 VanDerWaalsContact C-N 3.34Å; F186-C188 PolarHBondContact O-N 3.42Å; F186-L189 PolarHBondContact O-N 3.39Å; F186-Y190 WeakPolarHBondContact O-CB 3.38Å; F186-Y190 PolarHBondContact O-N 3.21Å
187I96.8Very high94.5Very high90 Ų9081.8 Ų81.846%0.46239%0.385SS..Hα-helixtrans-62.5-43.1175.8-69.4164.3000110.5L183 L184 Y190 I191L183-I187 WeakPolarHBondContact O-CB 3.35Å; L183-I187 WeakPolarHBondContact O-CD1 3.2Å; L183-I187 WeakPolarHBondContact O-CG1 3.35Å; L183-I187 PolarHBondContact O-N 2.98Å; L184-I187 PolarHBondContact O-N 3.21Å; I187-Y190 PolarHBondContact O-N 3.47Å; I187-I191 HydrophobicContact CG2-CD1 3.76Å; I187-I191 HydrophobicContact CG2-CG1 4.37Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.45Å; I187-I191 PolarHBondContact O-N 3.37Å
188C96Very high93.8Very high46 Ų4677.6 Ų77.631%0.31138%0.376SS..Hα-helixtrans-60.2-47.9177.3-168.80000111.6C26 L184 S185 F186 Y190 I191 I192C26-C188 VanDerWaalsContact SG-SG 3.64Å; L184-C188 WeakPolarHBondContact O-CB 3.38Å; L184-C188 PolarHBondContact O-N 3.46Å; S185-C188 WeakPolarHBondContact O-CB 3.27Å; S185-C188 PolarHBondContact O-N 3.36Å; F186-C188 VanDerWaalsContact C-N 3.34Å; F186-C188 PolarHBondContact O-N 3.42Å; C188-Y190 VanDerWaalsContact C-N 3.33Å; C188-Y190 PolarHBondContact O-N 3.31Å; C188-I191 PolarHBondContact O-N 3.12Å; C188-I192 WeakPolarHBondContact O-CD1 3.03Å; C188-I192 VanDerWaalsContact O-CG1 3.28Å; C188-I192 WeakPolarHBondContact O-CG1 3.14Å; C188-I192 PolarHBondContact O-N 3.49Å
189L93.9Very high93.3Very high33 Ų3383.4 Ų83.417%0.17340%0.401CS..Hα-helixtrans-59-44.7174.4-78.9177.8000112.3Y23 C26 M30 S185 F186 I191 I192 Y193Y23-L189 HydrophobicContact CD1-CD2 3.6Å; Y23-L189 HydrophobicContact CE1-CD2 4.27Å; Y23-L189 HydrophobicContact CG-CD2 4.44Å; C26-L189 HydrophobicContact CB-CD1 3.93Å; C26-L189 HydrophobicContact CB-CD2 3.49Å; C26-L189 VanDerWaalsContact CB-CD2 3.49Å; C26-L189 HydrophobicContact CB-CG 3.36Å; M30-L189 HydrophobicContact SD-CD1 3.43Å; M30-L189 WeakPolarHBondContact SD-CD1 3.39Å; S185-L189 PolarHBondContact O-N 3.19Å; F186-L189 PolarHBondContact O-N 3.39Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.42Å; L189-I192 PolarHBondContact O-N 3.21Å; L189-Y193 WeakPolarHBondContact O-CB 3.34Å; L189-Y193 PolarHBondContact O-N 3.49Å
190Y94.7Very high92.8Very high137 Ų13780.3 Ų80.354%0.53739%0.386SS..Hα-helixtrans-60.5-45.5179.2-178.6-103.4000111.1F186 I187 C188 I192 Y193 I194F186-Y190 WeakPolarHBondContact O-CB 3.38Å; F186-Y190 PolarHBondContact O-N 3.21Å; I187-Y190 PolarHBondContact O-N 3.47Å; C188-Y190 VanDerWaalsContact C-N 3.33Å; C188-Y190 PolarHBondContact O-N 3.31Å; Y190-I192 PolarHBondContact O-N 2.7Å; Y190-Y193 PolarHBondContact O-N 2.88Å; Y190-I194 HydrophobicContact CD1-CG1 4.4Å; Y190-I194 HydrophobicContact CE1-CG1 4.03Å; Y190-I194 HydrophobicContact CE2-CD1 4.27Å; Y190-I194 HydrophobicContact CE2-CG1 4.32Å; Y190-I194 VanDerWaalsContact O-CG1 3.28Å; Y190-I194 WeakPolarHBondContact O-CG1 3.49Å; Y190-I194 PolarHBondContact O-N 3.12Å
191I94.6Very high92.3Very high82 Ų8282.1 Ų82.142%0.42139%0.39SS..Hα-helixtrans-59.7-49177.1-70.7168.9000110.8I187 C188 L189 Y193 I194 F195I187-I191 HydrophobicContact CG2-CD1 3.76Å; I187-I191 HydrophobicContact CG2-CG1 4.37Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.45Å; I187-I191 PolarHBondContact O-N 3.37Å; C188-I191 PolarHBondContact O-N 3.12Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.42Å; I191-Y193 VanDerWaalsContact C-N 3.33Å; I191-Y193 PolarHBondContact O-N 3.2Å; I191-I194 PolarHBondContact O-N 3.35Å; I191-F195 HydrophobicContact CG2-CD2 3.81Å; I191-F195 HydrophobicContact CG2-CE2 3.64Å; I191-F195 WeakPolarHBondContact O-CD2 3.23Å; I191-F195 PolarHBondContact O-N 3.24Å
192I92.2Very high91.6Very high24 Ų2481.4 Ų81.412%0.12339%0.389CS..Hα-helixtrans-65-40.9-178.8-63.6163.1000110.6I19 I22 Y23 C188 L189 Y190 I194 F195 D196I19-I192 HydrophobicContact CG2-CG2 4.02Å; I22-I192 HydrophobicContact CB-CD1 3.86Å; I22-I192 HydrophobicContact CG2-CD1 3.14Å; Y23-I192 HydrophobicContact CD2-CG2 4Å; Y23-I192 HydrophobicContact CE1-CG2 4.07Å; Y23-I192 HydrophobicContact CE2-CG2 3.44Å; Y23-I192 VanDerWaalsContact CE2-CG2 3.44Å; Y23-I192 VanDerWaalsContact CZ-CG2 3.48Å; C188-I192 WeakPolarHBondContact O-CD1 3.03Å; C188-I192 VanDerWaalsContact O-CG1 3.28Å; C188-I192 WeakPolarHBondContact O-CG1 3.14Å; C188-I192 PolarHBondContact O-N 3.49Å; L189-I192 PolarHBondContact O-N 3.21Å; Y190-I192 PolarHBondContact O-N 2.7Å; I192-I194 VanDerWaalsContact C-N 3.3Å; I192-I194 PolarHBondContact O-N 3.01Å; I192-F195 PolarHBondContact O-N 2.7Å; I192-F195 VanDerWaalsContact O-N 3.12Å; I192-D196 HydrophobicContact CG2-CB 4.48Å; I192-D196 WeakPolarHBondContact O-CB 3.18Å; I192-D196 PolarHBondContact O-N 2.95Å
193Y91.4Very high90.3Very high119 Ų11980.5 Ų80.547%0.46740%0.398SS..Hα-helixtrans-58.7-41.4175175.3-101.6000112.3Y23 L189 Y190 I191 F195 K197Y23-Y193 WeakPolarHBondContact OH-CA 3.46Å; L189-Y193 WeakPolarHBondContact O-CB 3.34Å; L189-Y193 PolarHBondContact O-N 3.49Å; Y190-Y193 PolarHBondContact O-N 2.88Å; I191-Y193 VanDerWaalsContact C-N 3.33Å; I191-Y193 PolarHBondContact O-N 3.2Å; Y193-F195 VanDerWaalsContact C-N 3.3Å; Y193-F195 PolarHBondContact O-N 3.04Å; Y193-K197 WeakPolarHBondContact O-CA 3.32Å; Y193-K197 PolarHBondContact O-N 3.4Å
194I92.5Very high88.9Confident88 Ų8880.2 Ų80.245%0.45140%0.397SS..Hα-helixtrans-63.5-36.6176.4-68.2-64.1000111.8Y190 I191 I192Y190-I194 HydrophobicContact CD1-CG1 4.4Å; Y190-I194 HydrophobicContact CE1-CG1 4.03Å; Y190-I194 HydrophobicContact CE2-CD1 4.27Å; Y190-I194 HydrophobicContact CE2-CG1 4.32Å; Y190-I194 VanDerWaalsContact O-CG1 3.28Å; Y190-I194 WeakPolarHBondContact O-CG1 3.49Å; Y190-I194 PolarHBondContact O-N 3.12Å; I191-I194 PolarHBondContact O-N 3.35Å; I192-I194 VanDerWaalsContact C-N 3.3Å; I192-I194 PolarHBondContact O-N 3.01Å
195F90.4Very high87.2Confident173 Ų17382.6 Ų82.676%0.75941%0.405SS*.Hα-helixtrans-79.9-45.3180-76-65.9000114I191 I192 Y193I191-F195 HydrophobicContact CG2-CD2 3.81Å; I191-F195 HydrophobicContact CG2-CE2 3.64Å; I191-F195 WeakPolarHBondContact O-CD2 3.23Å; I191-F195 PolarHBondContact O-N 3.24Å; I192-F195 PolarHBondContact O-N 2.7Å; I192-F195 VanDerWaalsContact O-N 3.12Å; Y193-F195 VanDerWaalsContact C-N 3.3Å; Y193-F195 PolarHBondContact O-N 3.04Å
196D88.3Confident85.4Confident25 Ų2588.8 Ų88.813%0.13444%0.438CS..Hα-helixtrans-94.6-27.1-172.2173.868.4000112.8I19 Y23 I192 C198 H199 V200I19-D196 HydrophobicContact CG2-CB 4.37Å; Y23-D196 HydrophobicContact CE2-CB 4.41Å; Y23-D196 WeakPolarHBondContact CE2-OD2 3.4Å; Y23-D196 PolarHBondContact OH-OD2 3.29Å; I192-D196 HydrophobicContact CG2-CB 4.48Å; I192-D196 WeakPolarHBondContact O-CB 3.18Å; I192-D196 PolarHBondContact O-N 2.95Å; D196-C198 PolarHBondContact O-N 3.08Å; D196-C198 VanDerWaalsContact O-N 3.13Å; D196-C198 WeakPolarHBondContact OD2-CA 3.39Å; D196-C198 PolarHBondContact OD2-N 3.03Å; D196-C198 VanDerWaalsContact OD2-N 3.13Å; D196-H199 WeakPolarHBondContact O-CB 3.29Å; D196-H199 PolarHBondContact O-N 3.02Å; D196-H199 PolarHBondContact OD2-N 3.5Å; D196-V200 WeakPolarHBondContact OD1-CB 3.49Å; D196-V200 PolarHBondContact OD1-N 3.14Å; D196-V200 VanDerWaalsContact OD1-N 3.08Å; D196-V200 WeakPolarHBondContact OD2-CG1 3.26Å; D196-V200 PolarHBondContact OD2-N 3.43Å
197K86.7Confident83.6Confident165 Ų16589.6 Ų89.672%0.71745%0.451SS*.THydrogen-bonded Turntrans49.933-173.7-61.5-177.4177.2178.30113.6Y193 H199Y193-K197 WeakPolarHBondContact O-CA 3.32Å; Y193-K197 PolarHBondContact O-N 3.4Å; K197-H199 PolarHBondContact O-N 3Å
198C81.5Confident81.4Confident50 Ų5092.8 Ų92.834%0.33847%0.468SS..THydrogen-bonded Turntrans61.616.9-174-570000114.9D196 V200 W201D196-C198 PolarHBondContact O-N 3.08Å; D196-C198 VanDerWaalsContact O-N 3.13Å; D196-C198 WeakPolarHBondContact OD2-CA 3.39Å; D196-C198 PolarHBondContact OD2-N 3.03Å; D196-C198 VanDerWaalsContact OD2-N 3.13Å; C198-V200 PolarHBondContact O-N 3.2Å; C198-W201 PolarHBondContact O-N 2.69Å; C198-W201 VanDerWaalsContact O-N 3.12Å
199H84.4Confident79Confident134 Ų134100.3 Ų100.362%0.6251%0.512SS*.G310 helixtrans-60.9-28.6177-172.2-86.1000111.8D196 K197 W201 T202D196-H199 WeakPolarHBondContact O-CB 3.29Å; D196-H199 PolarHBondContact O-N 3.02Å; D196-H199 PolarHBondContact OD2-N 3.5Å; K197-H199 PolarHBondContact O-N 3Å; H199-W201 PolarHBondContact O-N 3.27Å; H199-T202 PolarHBondContact O-N 3.37Å; H199-T202 PolarHBondContact O-OG1 3.34Å
200V85.7Confident78.3Confident10 Ų10103.7 Ų103.76%0.06153%0.529CS..G310 helixtrans-57-22.8176.181.50000113.9I16 I19 K20 Y23 D196 C198I16-V200 HydrophobicContact CB-CG2 4.2Å; I16-V200 HydrophobicContact CG2-CG2 3.62Å; I16-V200 WeakPolarHBondContact O-CG2 3.48Å; I19-V200 HydrophobicContact CB-CG2 4.06Å; I19-V200 HydrophobicContact CG2-CB 4.03Å; I19-V200 HydrophobicContact CG2-CG1 4Å; I19-V200 HydrophobicContact CG2-CG2 4.05Å; K20-V200 HydrophobicContact CD-CG2 4.36Å; K20-V200 WeakPolarHBondContact CE-O 3.43Å; K20-V200 HydrophobicContact CG-CB 4.45Å; K20-V200 HydrophobicContact CG-CG1 4.07Å; K20-V200 HydrophobicContact CG-CG2 3.58Å; Y23-V200 HydrophobicContact CD2-CG1 4.09Å; Y23-V200 HydrophobicContact CE2-CG1 3.94Å; D196-V200 WeakPolarHBondContact OD1-CB 3.49Å; D196-V200 PolarHBondContact OD1-N 3.14Å; D196-V200 VanDerWaalsContact OD1-N 3.08Å; D196-V200 WeakPolarHBondContact OD2-CG1 3.26Å; D196-V200 PolarHBondContact OD2-N 3.43Å; C198-V200 PolarHBondContact O-N 3.2Å
201W84.9Confident77.4Confident87 Ų87101.9 Ų101.933%0.3353%0.529SS..G310 helixtrans-98.3-10.7-176.5-59.6107.6000114.1K20 Y23 L24 C198 H199 G203 D204K20-W201 HydrophobicContact CB-CH2 4.02Å; K20-W201 HydrophobicContact CB-CZ2 4.27Å; K20-W201 HydrophobicContact CD-CE3 4.36Å; K20-W201 HydrophobicContact CD-CH2 4.31Å; K20-W201 HydrophobicContact CD-CZ3 4.01Å; K20-W201 HydrophobicContact CG-CE3 4.46Å; K20-W201 HydrophobicContact CG-CH2 3.98Å; K20-W201 HydrophobicContact CG-CZ2 4.18Å; K20-W201 HydrophobicContact CG-CZ3 4.12Å; Y23-W201 AromaticContact CD2-NE1 3.81Å; L24-W201 HydrophobicContact CD1-CH2 4.37Å; L24-W201 HydrophobicContact CD2-CH2 4.24Å; L24-W201 HydrophobicContact CG-CH2 4.17Å; C198-W201 PolarHBondContact O-N 2.69Å; C198-W201 VanDerWaalsContact O-N 3.12Å; H199-W201 PolarHBondContact O-N 3.27Å; W201-G203 VanDerWaalsContact C-N 3.34Å; W201-G203 PolarHBondContact O-N 2.93Å; W201-D204 PolarHBondContact O-N 3.01Å
202T82.3Confident76.4Confident74 Ų74103.1 Ų103.145%0.45454%0.535SS..G310 helixtrans-67.3-34.8-176.154.60000112.3H199 D204 Q205H199-T202 PolarHBondContact O-N 3.37Å; H199-T202 PolarHBondContact O-OG1 3.34Å; T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 PolarHBondContact O-N 3.11Å; T202-Q205 PolarHBondContact O-N 2.89Å
203G71.2Confident75.5Confident46 Ų46107.7 Ų107.747%0.47456%0.559SS.*G310 helixtrans-72.9-9.5179.500000115.7W201W201-G203 VanDerWaalsContact C-N 3.34Å; W201-G203 PolarHBondContact O-N 2.93Å
204D67.2Low74.5Confident80 Ų80107 Ų10743%0.42856%0.564SS.*G310 helixtrans-85.2-13.9178.2-69.3-12.9000112.5K20 W201 T202 D206K20-D204 IonicContact NZ-OD1 2.7Å; K20-D204 PolarHBondContact NZ-OD1 3.44Å; K20-D204 IonicContact NZ-OD2 2.7Å; K20-D204 PolarHBondContact NZ-OD2 2.94Å; W201-D204 PolarHBondContact O-N 3.01Å; T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 PolarHBondContact O-N 3.11Å; D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.48Å
205Q62Low73.3Confident156 Ų156108.3 Ų108.373%0.72957%0.572SS**G310 helixtrans-73.1-23.3-179.2-67.1-173.3-1500113.2T202 V207T202-Q205 PolarHBondContact O-N 2.89Å; Q205-V207 PolarHBondContact O-N 2.96Å
206D59Low72.1Confident137 Ų137103.6 Ų103.673%0.73356%0.559SS**G310 helixtrans-76.2-2.5-173.6-64.3-30.7000114.3D204D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.48Å
207V59.5Low70.9Confident125 Ų125109.7 Ų109.776%0.75859%0.591SS**G310 helixtrans-101.33.5-174.7-163.30000113.2Q205 V209Q205-V207 PolarHBondContact O-N 2.96Å; V207-V209 PolarHBondContact O-N 2.84Å
208I51.2Low69.5Low158 Ų158105.1 Ų105.181%0.8158%0.581SS**  trans-97.878.6171.9-49.6177.1000109
209V45.6Very low68.5Low204 Ų204110.1 Ų110.1100%1.23660%0.603SS**  trans-128.70160.3-175.60000108.6V207V207-V209 PolarHBondContact O-N 2.84Å

Retrieved 209 of 209 residues in 45.6 ms (Link to these results)

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