A0A3Q0KH02_SCHMA Loading...

Putative thioredoxin-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KH02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 256 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
1M62.6Low67Low193 Ų193120.5 Ų120.595%0.95160%0.597SS**  0-36.90-94.5168.75500113.5L4 K5M1-L4 PolarHBondContact O-N 3Å; M1-K5 PolarHBondContact O-N 3.17Å
2E70.9Confident66.7Low116 Ų116117.2 Ų117.254%0.54259%0.588SS.*Hα-helixtrans-63.8-40.4179.1-68.3-67.3111.100114.1L4 K5 H6E2-L4 VanDerWaalsContact C-N 3.25Å; E2-L4 PolarHBondContact O-N 2.85Å; E2-K5 PolarHBondContact O-N 3.34Å; E2-K5 IonicContact OE1-NZ 3.71Å; E2-K5 PolarHBondContact OE1-NZ 3.29Å; E2-H6 PolarHBondContact O-CD2 3.44Å; E2-H6 PolarHBondContact O-N 3.39Å
3I72.1Confident66Low139 Ų139121 Ų12171%0.71360%0.599SS**Hα-helixtrans-62.3-34.1177.3-61.7162.2000111.6K5 H6 V7I3-K5 PolarHBondContact O-N 3.03Å; I3-H6 PolarHBondContact O-N 3.21Å; I3-V7 HydrophobicContact CG2-CG2 4.44Å; I3-V7 WeakPolarHBondContact O-CG2 3.37Å; I3-V7 PolarHBondContact O-N 3.1Å; I3-V7 VanDerWaalsContact O-N 3.07Å
4L63.9Low65.5Low126 Ų126119.4 Ų119.466%0.6659%0.593SS**Hα-helixtrans-70.2-32.9-179.2-156.874.3000111.8M1 E2 F8M1-L4 PolarHBondContact O-N 3Å; E2-L4 VanDerWaalsContact C-N 3.25Å; E2-L4 PolarHBondContact O-N 2.85Å; L4-F8 WeakPolarHBondContact O-CB 3.41Å; L4-F8 PolarHBondContact O-N 3.44Å
5K70.1Confident64.5Low126 Ų126124.1 Ų124.155%0.54861%0.609SS.*Hα-helixtrans-66.7-40.5174.5-65.8176.3-177164.50111.8M1 E2 I3 F8 G9M1-K5 PolarHBondContact O-N 3.17Å; E2-K5 PolarHBondContact O-N 3.34Å; E2-K5 IonicContact OE1-NZ 3.71Å; E2-K5 PolarHBondContact OE1-NZ 3.29Å; I3-K5 PolarHBondContact O-N 3.03Å; K5-F8 PolarHBondContact O-N 3.46Å; K5-G9 PolarHBondContact O-N 3.12Å
6H71Confident64Low137 Ų137128.1 Ų128.163%0.63462%0.622SS**Hα-helixtrans-69.7-38177.6-73.7-65.8000112.8E2 I3 G9 F10E2-H6 PolarHBondContact O-CD2 3.44Å; E2-H6 PolarHBondContact O-N 3.39Å; I3-H6 PolarHBondContact O-N 3.21Å; H6-G9 PolarHBondContact O-N 3.44Å; H6-F10 VanDerWaalsContact O-CB 3.23Å; H6-F10 WeakPolarHBondContact O-CB 3.42Å; H6-F10 PolarHBondContact O-N 2.69Å
7V70.6Confident63.2Low73 Ų73126.4 Ų126.444%0.44263%0.625SS.*Hα-helixtrans-66.9-40174.5175.10000111I3 F10 L11I3-V7 HydrophobicContact CG2-CG2 4.44Å; I3-V7 WeakPolarHBondContact O-CG2 3.37Å; I3-V7 PolarHBondContact O-N 3.1Å; I3-V7 VanDerWaalsContact O-N 3.07Å; V7-F10 PolarHBondContact O-N 3.46Å; V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 HydrophobicContact CG1-CG 4.44Å; V7-L11 WeakPolarHBondContact O-CB 3.32Å; V7-L11 WeakPolarHBondContact O-CG 3.28Å; V7-L11 PolarHBondContact O-N 3.5Å
8F65.3Low62.9Low151 Ų151125 Ų12566%0.66263%0.63SS**Hα-helixtrans-66.3-41.6175.1-136.3-92.6000111.7L4 K5 V12L4-F8 WeakPolarHBondContact O-CB 3.41Å; L4-F8 PolarHBondContact O-N 3.44Å; K5-F8 PolarHBondContact O-N 3.46Å; F8-V12 HydrophobicContact CD1-CG2 4.23Å; F8-V12 WeakPolarHBondContact O-CB 3.3Å; F8-V12 WeakPolarHBondContact O-CG2 3.36Å; F8-V12 PolarHBondContact O-N 2.66Å
9G64.4Low62.6Low29 Ų29121.2 Ų121.230%0.29961%0.614SS.*Hα-helixtrans-59.9-49.2172.300000112K5 H6 L11 V12 F13K5-G9 PolarHBondContact O-N 3.12Å; H6-G9 PolarHBondContact O-N 3.44Å; G9-L11 PolarHBondContact O-N 3.45Å; G9-V12 PolarHBondContact O-N 3.44Å; G9-F13 WeakPolarHBondContact O-CD2 3.44Å; G9-F13 PolarHBondContact O-N 3.12Å
10F65.5Low63.6Low135 Ų135123.1 Ų123.159%0.59262%0.615SS**Hα-helixtrans-63.3-40.7-179.7-171.3-107000112.7H6 V7 F13 L14H6-F10 VanDerWaalsContact O-CB 3.23Å; H6-F10 WeakPolarHBondContact O-CB 3.42Å; H6-F10 PolarHBondContact O-N 2.69Å; V7-F10 PolarHBondContact O-N 3.46Å; F10-F13 PolarHBondContact O-N 3.34Å; F10-L14 HydrophobicContact CD1-CD1 3.77Å; F10-L14 HydrophobicContact CD1-CG 4.34Å; F10-L14 HydrophobicContact CE1-CD1 3.39Å; F10-L14 HydrophobicContact CE1-CG 4.13Å; F10-L14 HydrophobicContact CZ-CD1 3.93Å; F10-L14 HydrophobicContact CZ-CD2 4.41Å; F10-L14 HydrophobicContact CZ-CG 4.31Å; F10-L14 WeakPolarHBondContact O-CG 3.01Å; F10-L14 PolarHBondContact O-N 2.97Å
11L60.6Low65Low100 Ų100118 Ų11852%0.52459%0.591SS.*Hα-helixtrans-69.1-33.1175.2-75.1170.5000113V7 G9 K15V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 HydrophobicContact CG1-CG 4.44Å; V7-L11 WeakPolarHBondContact O-CB 3.32Å; V7-L11 WeakPolarHBondContact O-CG 3.28Å; V7-L11 PolarHBondContact O-N 3.5Å; G9-L11 PolarHBondContact O-N 3.45Å; L11-K15 WeakPolarHBondContact O-CG 3.41Å; L11-K15 PolarHBondContact O-N 3.1Å
12V63.4Low66.5Low81 Ų81111.1 Ų111.149%0.49156%0.557SS.*Hα-helixtrans-69.3-36.6172.9170.90000111F8 G9F8-V12 HydrophobicContact CD1-CG2 4.23Å; F8-V12 WeakPolarHBondContact O-CB 3.3Å; F8-V12 WeakPolarHBondContact O-CG2 3.36Å; F8-V12 PolarHBondContact O-N 2.66Å; G9-V12 PolarHBondContact O-N 3.44Å
13F57.5Low67.6Low167 Ų167109.5 Ų109.573%0.73255%0.549SS*.Hα-helixtrans-69.3-36.9173.5-87.7-77.4000113G9 F10 F16G9-F13 WeakPolarHBondContact O-CD2 3.44Å; G9-F13 PolarHBondContact O-N 3.12Å; F10-F13 PolarHBondContact O-N 3.34Å; F13-F16 PolarHBondContact O-N 3.23Å
14L58.5Low68.6Low98 Ų98102.9 Ų102.951%0.51352%0.515SS..Hα-helixtrans-73.4-25.5178.6-71.4-179.6000113.9F10 F16 C17F10-L14 HydrophobicContact CD1-CD1 3.77Å; F10-L14 HydrophobicContact CD1-CG 4.34Å; F10-L14 HydrophobicContact CE1-CD1 3.39Å; F10-L14 HydrophobicContact CE1-CG 4.13Å; F10-L14 HydrophobicContact CZ-CD1 3.93Å; F10-L14 HydrophobicContact CZ-CD2 4.41Å; F10-L14 HydrophobicContact CZ-CG 4.31Å; F10-L14 WeakPolarHBondContact O-CG 3.01Å; F10-L14 PolarHBondContact O-N 2.97Å; L14-F16 PolarHBondContact O-N 3.01Å; L14-C17 PolarHBondContact O-N 3.26Å
15K51.5Low69.9Low190 Ų19098.9 Ų98.983%0.82650%0.495SS*.THydrogen-bonded Turntrans-69.4-13.6175.7-84.9-86.5-179172.60113.7L11L11-K15 WeakPolarHBondContact O-CG 3.41Å; L11-K15 PolarHBondContact O-N 3.1Å
16F56.5Low70.7Confident188 Ų18896.2 Ų96.283%0.82549%0.492SS*.THydrogen-bonded Turntrans-93.10.1179-101-86.3000114.6F13 L14F13-F16 PolarHBondContact O-N 3.23Å; L14-F16 PolarHBondContact O-N 3.01Å
17C50.4Low71.5Confident100 Ų10095.3 Ų95.368%0.67650%0.496SS*.  trans-125.574.2-172-160.20000112.7L14L14-C17 PolarHBondContact O-N 3.26Å
18S57.8Low72.6Confident101 Ų10193.8 Ų93.871%0.70649%0.485SS*.  trans-146.293.4147.1-1710000105.8Y20S18-Y20 PolarHBondContact O-N 2.97Å
19P57.5Low73.8Confident52 Ų5287 Ų8734%0.33846%0.456SS..  trans-58.1118.9171.6-1932.4000107.9S60P19-S60 WeakPolarHBondContact CB-O 3.45Å
20Y82.8Confident75.1Confident159 Ų15990.3 Ų90.362%0.62446%0.462SS*.  trans-112.4129.9-177.9171.2-106000107S18 I22 H23S18-Y20 PolarHBondContact O-N 2.97Å; Y20-I22 PolarHBondContact O-N 3.39Å; Y20-H23 PolarHBondContact OH-CD2 3.06Å; Y20-H23 VanDerWaalsContact OH-CD2 3.22Å
21V91.7Very high76.3Confident18 Ų1888.9 Ų88.911%0.10946%0.457CS..  trans-61.6122.2172.1-179.30000108.1H23 S60 D71V21-H23 PolarHBondContact O-N 3.27Å; V21-S60 VanDerWaalsContact CG2-OG 3.31Å; V21-S60 WeakPolarHBondContact CG2-OG 3.41Å; V21-D71 HydrophobicContact CG1-CB 4.05Å
22I93.9Very high77.8Confident47 Ų4784.1 Ų84.124%0.24143%0.432CS..EExtended strand (participates in β ladder)trans-82.7114.9-178.8-61.5168.7000109.1Y20 L24 W37 V69 A70 D71Y20-I22 PolarHBondContact O-N 3.39Å; I22-L24 HydrophobicContact CG2-CD2 4.03Å; I22-L24 HydrophobicContact CG2-CG 4.48Å; I22-L24 PolarHBondContact O-N 3.35Å; I22-W37 HydrophobicContact CB-CZ3 4.26Å; I22-W37 HydrophobicContact CD1-CH2 3.65Å; I22-W37 HydrophobicContact CD1-CZ3 3.56Å; I22-W37 HydrophobicContact CG1-CZ3 4.49Å; I22-W37 HydrophobicContact CG2-CZ3 4.31Å; I22-V69 PolarHBondContact N-O 3.46Å; I22-A70 HydrophobicContact CB-CB 4.23Å; I22-A70 CarbonylContact O-C 3.49Å; I22-A70 WeakPolarHBondContact O-CA 3.27Å; I22-A70 WeakPolarHBondContact O-CB 3.3Å; I22-D71 PolarHBondContact O-N 3.47Å
23H94Very high79.2Confident82 Ų8281.3 Ų81.338%0.3841%0.414SS..EExtended strand (participates in β ladder)trans-73.9117.4173.3-65.1-58.8000111.1Y20 V21 N28 D71Y20-H23 PolarHBondContact OH-CD2 3.06Å; Y20-H23 VanDerWaalsContact OH-CD2 3.22Å; V21-H23 PolarHBondContact O-N 3.27Å; H23-N28 PolarHBondContact O-ND2 3.16Å; H23-D71 WeakPolarHBondContact CA-OD1 3.13Å; H23-D71 IonicContact CE1-OD1 3.52Å; H23-D71 PolarHBondContact CE1-OD1 3.48Å; H23-D71 IonicContact CE1-OD2 3.39Å; H23-D71 PolarHBondContact CE1-OD2 3Å; H23-D71 IonicContact CG-OD1 2.79Å; H23-D71 IonicContact ND1-OD1 2.69Å; H23-D71 PolarHBondContact ND1-OD1 3.43Å; H23-D71 IonicContact ND1-OD2 2.62Å; H23-D71 PolarHBondContact ND1-OD2 3.37Å
24L94.2Very high80.8Confident0 Ų079.4 Ų79.40%041%0.411CS..EExtended strand (participates in β ladder)trans-103.9136.2178.5-65.9178.2000111.9I22 N28 M32 V39 A70 D71 V72I22-L24 HydrophobicContact CG2-CD2 4.03Å; I22-L24 HydrophobicContact CG2-CG 4.48Å; I22-L24 PolarHBondContact O-N 3.35Å; L24-N28 WeakPolarHBondContact CA-OD1 3.45Å; L24-M32 HydrophobicContact CD1-CB 4Å; L24-M32 HydrophobicContact CD1-CG 3.96Å; L24-M32 HydrophobicContact CD1-SD 4.21Å; L24-V39 HydrophobicContact CD1-CG1 4.4Å; L24-V39 HydrophobicContact CD1-CG2 4.36Å; L24-A70 HydrophobicContact CD1-CB 3.59Å; L24-A70 HydrophobicContact CG-CB 3.86Å; L24-D71 PolarHBondContact N-O 3.34Å; L24-V72 HydrophobicContact CB-CG2 3.72Å
25N91.6Very high82.4Confident43 Ų4376.2 Ų76.223%0.2340%0.402CS..  trans-139.3174.9-173.4-78.1-27.1000111T27 N28 W29 S77N25-T27 PolarHBondContact O-N 3.08Å; N25-N28 PolarHBondContact N-OD1 3.11Å; N25-N28 PolarHBondContact O-N 3.35Å; N25-N28 PolarHBondContact O-OD1 3.41Å; N25-N28 VanDerWaalsContact O-OD1 3.1Å; N25-W29 VanDerWaalsContact O-CB 3.32Å; N25-W29 WeakPolarHBondContact O-CB 3.35Å; N25-W29 PolarHBondContact O-N 3.38Å; N25-S77 WeakPolarHBondContact CA-OG 3.46Å; N25-S77 PolarHBondContact OD1-OG 3.33Å
26S86.9Confident84.5Confident69 Ų6968.8 Ų68.848%0.48337%0.37SS..THydrogen-bonded Turntrans-52.8-23.4-179650000115.4W29 S77S26-W29 PolarHBondContact O-NE1 3.04Å; S26-S77 PolarHBondContact N-OG 3.03Å
27T87.7Confident86.3Confident119 Ų11960.5 Ų60.573%0.7333%0.334SS*.THydrogen-bonded Turntrans-91.1-42-179.555.50000113.9N25N25-T27 PolarHBondContact O-N 3.08Å
28N92Very high88.5Confident40 Ų4055.8 Ų55.821%0.21430%0.302CS..THydrogen-bonded Turntrans-103.9-10.5-170.568.1-5000114H23 L24 N25 K30 Q31H23-N28 PolarHBondContact O-ND2 3.16Å; L24-N28 WeakPolarHBondContact CA-OD1 3.45Å; N25-N28 PolarHBondContact N-OD1 3.11Å; N25-N28 PolarHBondContact O-N 3.35Å; N25-N28 PolarHBondContact O-OD1 3.41Å; N25-N28 VanDerWaalsContact O-OD1 3.1Å; N28-K30 PolarHBondContact O-N 3.22Å; N28-Q31 WeakPolarHBondContact O-CB 3.33Å; N28-Q31 WeakPolarHBondContact O-CG 3.35Å; N28-Q31 PolarHBondContact O-N 3.05Å
29W91.5Very high90.3Very high10 Ų1051 Ų514%0.03827%0.268CS..G310 helixtrans-53.4-23.7-176.874.3-93.7000114.2N25 S26 Q31 M32 L33 L80 P133 I142N25-W29 VanDerWaalsContact O-CB 3.32Å; N25-W29 WeakPolarHBondContact O-CB 3.35Å; N25-W29 PolarHBondContact O-N 3.38Å; S26-W29 PolarHBondContact O-NE1 3.04Å; W29-Q31 PolarHBondContact O-N 3.2Å; W29-Q31 VanDerWaalsContact O-N 3.09Å; W29-M32 HydrophobicContact CB-CE 4.18Å; W29-M32 HydrophobicContact CD2-CE 4.42Å; W29-M32 HydrophobicContact CE3-CE 3.62Å; W29-M32 HydrophobicContact CZ3-CE 4.42Å; W29-M32 WeakPolarHBondContact O-CG 3.31Å; W29-M32 PolarHBondContact O-N 2.74Å; W29-L33 HydrophobicContact CZ3-CD1 4.11Å; W29-L33 HydrophobicContact CZ3-CD2 4.29Å; W29-L33 HydrophobicContact CZ3-CG 4.31Å; W29-L80 HydrophobicContact CB-CD1 4.22Å; W29-L80 HydrophobicContact CB-CD2 3.72Å; W29-L80 HydrophobicContact CD2-CD1 4.01Å; W29-L80 HydrophobicContact CE3-CD1 4.4Å; W29-L80 HydrophobicContact CG-CD1 3.93Å; W29-L80 HydrophobicContact CG-CD2 4.2Å; W29-P133 HydrophobicContact CH2-CB 3.83Å; W29-P133 HydrophobicContact CZ3-CB 3.82Å; W29-P133 HydrophobicContact CZ3-CG 4.14Å; W29-I142 HydrophobicContact CH2-CD1 4.22Å; W29-I142 HydrophobicContact CZ2-CD1 3.69Å
30K90.9Very high92.1Very high97 Ų9748.6 Ų48.642%0.42225%0.253SS..G310 helixtrans-61-20.9178.1-66.4175.7-176.2168.80113.2N28 M32 L33N28-K30 PolarHBondContact O-N 3.22Å; K30-M32 VanDerWaalsContact C-N 3.27Å; K30-M32 PolarHBondContact O-N 3.37Å; K30-L33 HydrophobicContact CB-CD1 4.46Å; K30-L33 VanDerWaalsContact O-CB 3.29Å; K30-L33 WeakPolarHBondContact O-CB 3.39Å; K30-L33 WeakPolarHBondContact O-CG 3.31Å; K30-L33 PolarHBondContact O-N 3.28Å; K30-L33 VanDerWaalsContact O-N 3.16Å
31Q92Very high92.8Very high105 Ų10541 Ų4149%0.49122%0.223SC..G310 helixtrans-63.3-30.4177.9-66.7174.4-200112.7N28 W29 L33 D34 W37N28-Q31 WeakPolarHBondContact O-CB 3.33Å; N28-Q31 WeakPolarHBondContact O-CG 3.35Å; N28-Q31 PolarHBondContact O-N 3.05Å; W29-Q31 PolarHBondContact O-N 3.2Å; W29-Q31 VanDerWaalsContact O-N 3.09Å; Q31-L33 PolarHBondContact O-N 3.32Å; Q31-L33 VanDerWaalsContact O-N 3.17Å; Q31-D34 PolarHBondContact O-N 3.43Å; Q31-W37 HydrophobicContact CB-CH2 4.5Å; Q31-W37 HydrophobicContact CB-CZ2 4.46Å; Q31-W37 PolarHBondContact O-NE1 3.39Å
32M92.1Very high93Very high0 Ų042.4 Ų42.40%023%0.226CC..G310 helixtrans-71.5-4.4176.357.7156.4178.500114.1L24 W29 K30 D34 W37 V39 F84 V95 F100L24-M32 HydrophobicContact CD1-CB 4Å; L24-M32 HydrophobicContact CD1-CG 3.96Å; L24-M32 HydrophobicContact CD1-SD 4.21Å; W29-M32 HydrophobicContact CB-CE 4.18Å; W29-M32 HydrophobicContact CD2-CE 4.42Å; W29-M32 HydrophobicContact CE3-CE 3.62Å; W29-M32 HydrophobicContact CZ3-CE 4.42Å; W29-M32 WeakPolarHBondContact O-CG 3.31Å; W29-M32 PolarHBondContact O-N 2.74Å; K30-M32 VanDerWaalsContact C-N 3.27Å; K30-M32 PolarHBondContact O-N 3.37Å; M32-D34 VanDerWaalsContact C-N 3.32Å; M32-W37 HydrophobicContact CB-CB 4.18Å; M32-W37 HydrophobicContact CB-CD2 3.89Å; M32-W37 HydrophobicContact CB-CE3 4.24Å; M32-W37 HydrophobicContact CB-CG 3.84Å; M32-V39 HydrophobicContact CB-CG2 4.28Å; M32-V39 HydrophobicContact SD-CG1 4.41Å; M32-V39 HydrophobicContact SD-CG2 3.77Å; M32-F84 HydrophobicContact CE-CE2 3.69Å; M32-F84 HydrophobicContact CE-CZ 3.51Å; M32-F84 HydrophobicContact SD-CZ 4.36Å; M32-V95 WeakPolarHBondContact O-CG1 3.47Å; M32-V95 HydrophobicContact SD-CG2 4.21Å; M32-F100 HydrophobicContact CE-CE1 4.12Å; M32-F100 HydrophobicContact SD-CE1 4Å
33L91.5Very high93.1Very high23 Ų2340.2 Ų40.212%0.1222%0.215CC..G310 helixtrans-75.1-25.5175.4-62.8176.9000112.4W29 K30 Q31 N97 G98 F100 A134W29-L33 HydrophobicContact CZ3-CD1 4.11Å; W29-L33 HydrophobicContact CZ3-CD2 4.29Å; W29-L33 HydrophobicContact CZ3-CG 4.31Å; K30-L33 HydrophobicContact CB-CD1 4.46Å; K30-L33 VanDerWaalsContact O-CB 3.29Å; K30-L33 WeakPolarHBondContact O-CB 3.39Å; K30-L33 WeakPolarHBondContact O-CG 3.31Å; K30-L33 PolarHBondContact O-N 3.28Å; K30-L33 VanDerWaalsContact O-N 3.16Å; Q31-L33 PolarHBondContact O-N 3.32Å; Q31-L33 VanDerWaalsContact O-N 3.17Å; L33-N97 CarbonylContact O-C 3.59Å; L33-G98 PolarHBondContact O-N 3.02Å; L33-F100 HydrophobicContact CD2-CE2 4.06Å; L33-F100 HydrophobicContact CD2-CZ 3.55Å; L33-A134 HydrophobicContact CD1-CB 4.23Å; L33-A134 HydrophobicContact CD2-CB 3.9Å
34D91.7Very high93.1Very high126 Ų12639.5 Ų39.567%0.67422%0.218SC*.SBendtrans-102.7121.8-175.6-61.6-45.9000110.4Q31 M32 W37Q31-D34 PolarHBondContact O-N 3.43Å; M32-D34 VanDerWaalsContact C-N 3.32Å; D34-W37 PolarHBondContact O-NE1 3.47Å
35G92.5Very high93.2Very high31 Ų3147.7 Ų47.732%0.3225%0.249SC..SBendtrans85.5-155.4-179.300000113.5K96 N97G35-K96 WeakPolarHBondContact O-CA 3.38Å; G35-N97 PolarHBondContact O-N 3.31Å
36E95Very high93.4Very high34 Ų3446.4 Ų46.416%0.15924%0.243CC..EExtended strand (participates in β ladder)trans-115.9122.3-176-169.3169.3167.900111V67 F68 H94 V95 K96E36-V67 HydrophobicContact CB-CG1 4.18Å; E36-V67 HydrophobicContact CG-CB 4.25Å; E36-V67 HydrophobicContact CG-CG1 3.6Å; E36-F68 WeakPolarHBondContact O-CD2 3.34Å; E36-F68 PolarHBondContact O-N 3.3Å; E36-H94 IonicContact OE1-CD2 3.96Å; E36-H94 IonicContact OE1-CE1 2.69Å; E36-H94 IonicContact OE1-NE2 3.56Å; E36-H94 PolarHBondContact OE1-NE2 3.48Å; E36-V95 CarbonylContact C-O 3.57Å; E36-V95 WeakPolarHBondContact CA-O 3.35Å; E36-K96 HydrophobicContact CB-CG 4.34Å; E36-K96 HydrophobicContact CG-CB 4.39Å; E36-K96 HydrophobicContact CG-CD 4.34Å; E36-K96 HydrophobicContact CG-CG 4.31Å; E36-K96 WeakPolarHBondContact OE2-CE 3.24Å; E36-K96 IonicContact OE2-NZ 3.67Å; E36-K96 PolarHBondContact OE2-NZ 3.26Å
37W95.5Very high93.8Very high15 Ų1546.9 Ų46.96%0.05724%0.244CC..EExtended strand (participates in β ladder)trans-131.6145.4-173.9-63.372.8000111.3I22 Q31 M32 D34 V39 F68 A70 V95I22-W37 HydrophobicContact CB-CZ3 4.26Å; I22-W37 HydrophobicContact CD1-CH2 3.65Å; I22-W37 HydrophobicContact CD1-CZ3 3.56Å; I22-W37 HydrophobicContact CG1-CZ3 4.49Å; I22-W37 HydrophobicContact CG2-CZ3 4.31Å; Q31-W37 HydrophobicContact CB-CH2 4.5Å; Q31-W37 HydrophobicContact CB-CZ2 4.46Å; Q31-W37 PolarHBondContact O-NE1 3.39Å; M32-W37 HydrophobicContact CB-CB 4.18Å; M32-W37 HydrophobicContact CB-CD2 3.89Å; M32-W37 HydrophobicContact CB-CE3 4.24Å; M32-W37 HydrophobicContact CB-CG 3.84Å; D34-W37 PolarHBondContact O-NE1 3.47Å; W37-V39 HydrophobicContact CB-CG2 4.13Å; W37-F68 CarbonylContact C-O 3.48Å; W37-F68 VanDerWaalsContact CA-O 3.23Å; W37-F68 WeakPolarHBondContact CA-O 3.31Å; W37-F68 HydrophobicContact CD2-CB 3.38Å; W37-F68 HydrophobicContact CD2-CD2 4.19Å; W37-F68 HydrophobicContact CD2-CG 4.11Å; W37-F68 AromaticContact CE2-CD2 3.69Å; W37-F68 AromaticContact CE2-CG 3.89Å; W37-F68 HydrophobicContact CE3-CB 3.35Å; W37-F68 HydrophobicContact CE3-CG 4.31Å; W37-F68 HydrophobicContact CG-CB 3.97Å; W37-F68 HydrophobicContact CH2-CB 3.96Å; W37-F68 HydrophobicContact CH2-CG 4.13Å; W37-F68 HydrophobicContact CZ2-CB 4Å; W37-F68 AromaticContact CZ2-CD2 3.91Å; W37-F68 HydrophobicContact CZ2-CD2 3.91Å; W37-F68 AromaticContact CZ2-CG 3.91Å; W37-F68 HydrophobicContact CZ2-CG 3.91Å; W37-F68 HydrophobicContact CZ3-CB 3.66Å; W37-F68 HydrophobicContact CZ3-CG 4.33Å; W37-F68 AromaticContact NE1-CD2 3.8Å; W37-A70 HydrophobicContact CE3-CB 3.9Å; W37-A70 HydrophobicContact CZ3-CB 4.11Å; W37-V95 HydrophobicContact CB-CB 4.22Å; W37-V95 PolarHBondContact N-O 3.38Å; W37-V95 PolarHBondContact O-N 2.99Å
38L95.6Very high94.2Very high0 Ų043.3 Ų43.30%023%0.227CC..EExtended strand (participates in β ladder)trans-110.3120.6163.4-75.2-177.7000108.3W56 L59 V67 F68 A70 H94 V116L38-W56 HydrophobicContact CB-CH2 3.81Å; L38-W56 HydrophobicContact CB-CZ2 4.26Å; L38-W56 WeakPolarHBondContact O-CZ2 3.32Å; L38-L59 HydrophobicContact CD1-CD2 3.73Å; L38-V67 HydrophobicContact CD1-CG2 3.87Å; L38-V67 HydrophobicContact CG-CG2 3.94Å; L38-F68 PolarHBondContact N-O 2.97Å; L38-A70 PolarHBondContact O-N 3.36Å; L38-H94 HydrophobicContact CD2-CB 4.14Å; L38-V116 HydrophobicContact CD1-CG2 3.66Å; L38-V116 HydrophobicContact CD2-CG2 4.35Å; L38-V116 HydrophobicContact CG-CG2 4.25Å
39V95.8Very high94.4Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-120.8119.5-173-175.20000109.6L24 M32 W37 F41 A70 V72 V92 Y93 V95L24-V39 HydrophobicContact CD1-CG1 4.4Å; L24-V39 HydrophobicContact CD1-CG2 4.36Å; M32-V39 HydrophobicContact CB-CG2 4.28Å; M32-V39 HydrophobicContact SD-CG1 4.41Å; M32-V39 HydrophobicContact SD-CG2 3.77Å; W37-V39 HydrophobicContact CB-CG2 4.13Å; V39-F41 HydrophobicContact CG1-CD2 4.4Å; V39-F41 HydrophobicContact CG1-CE2 3.95Å; V39-A70 WeakPolarHBondContact CA-O 3.3Å; V39-A70 HydrophobicContact CG2-CB 4.36Å; V39-V72 HydrophobicContact CG1-CG2 3.75Å; V39-V92 CarbonylContact O-C 3.56Å; V39-V92 WeakPolarHBondContact O-CA 3.48Å; V39-Y93 PolarHBondContact N-O 3.4Å; V39-Y93 PolarHBondContact O-N 2.95Å; V39-V95 HydrophobicContact CG2-CG2 3.97Å
40K95.5Very high94.6Very high3 Ų349.1 Ų49.11%0.01325%0.247CC..EExtended strand (participates in β ladder)trans-101.6119.6176.5175.9-167.168.5-172.50110.9F52 W56 A70 D71 V72 P90 T91 V92K40-F52 HydrophobicContact CD-CD1 3.56Å; K40-F52 HydrophobicContact CD-CE1 3.61Å; K40-F52 HydrophobicContact CG-CD1 4.29Å; K40-F52 HydrophobicContact CG-CE1 4.05Å; K40-W56 HydrophobicContact CB-CD2 3.95Å; K40-W56 VanDerWaalsContact CB-CE2 3.49Å; K40-W56 HydrophobicContact CB-CE3 4.35Å; K40-W56 HydrophobicContact CB-CH2 3.88Å; K40-W56 HydrophobicContact CB-CZ2 3.47Å; K40-W56 VanDerWaalsContact CB-CZ2 3.47Å; K40-W56 HydrophobicContact CB-CZ3 4.32Å; K40-W56 HydrophobicContact CD-CB 4.32Å; K40-W56 HydrophobicContact CD-CD2 3.94Å; K40-W56 HydrophobicContact CD-CE3 4.43Å; K40-W56 HydrophobicContact CD-CG 3.87Å; K40-W56 HydrophobicContact CG-CD2 4.5Å; K40-W56 VanDerWaalsContact NZ-CD1 3.3Å; K40-A70 PolarHBondContact N-O 3.2Å; K40-D71 HydrophobicContact CB-CB 4.41Å; K40-D71 CarbonylContact O-C 3.6Å; K40-D71 VanDerWaalsContact O-CA 3.26Å; K40-D71 WeakPolarHBondContact O-CA 3.38Å; K40-V72 PolarHBondContact O-N 3.31Å; K40-P90 HydrophobicContact CD-CB 4.48Å; K40-P90 HydrophobicContact CG-CB 4.22Å; K40-T91 CarbonylContact C-O 3.55Å; K40-T91 WeakPolarHBondContact CA-O 3.32Å; K40-V92 HydrophobicContact CB-CG2 4.44Å; K40-V92 HydrophobicContact CG-CG2 4.5Å
41F96.4Very high94.8Very high0 Ų051.6 Ų51.60%026%0.26CS..EExtended strand (participates in β ladder)trans-85.1124.8166.4-70.7-98.4000109.9V39 V72 V74 L80 F84 V86 L89 P90 T91 Y93V39-F41 HydrophobicContact CG1-CD2 4.4Å; V39-F41 HydrophobicContact CG1-CE2 3.95Å; F41-V72 WeakPolarHBondContact CA-O 3.08Å; F41-V72 HydrophobicContact CD1-CB 3.8Å; F41-V72 HydrophobicContact CD1-CG1 3.73Å; F41-V72 HydrophobicContact CD1-CG2 4.49Å; F41-V72 HydrophobicContact CE1-CB 3.85Å; F41-V72 HydrophobicContact CE1-CG1 3.61Å; F41-V72 HydrophobicContact CE1-CG2 4.13Å; F41-V72 HydrophobicContact CG-CB 4.31Å; F41-V72 HydrophobicContact CZ-CB 4.37Å; F41-V72 HydrophobicContact CZ-CG1 4.46Å; F41-V72 HydrophobicContact CZ-CG2 4.2Å; F41-V74 HydrophobicContact CB-CG2 4.16Å; F41-V74 HydrophobicContact CD1-CG2 4.2Å; F41-L80 HydrophobicContact CE1-CG 4.29Å; F41-F84 HydrophobicContact CE1-CB 4.29Å; F41-F84 HydrophobicContact CE1-CD2 4.13Å; F41-F84 HydrophobicContact CE1-CG 4.31Å; F41-F84 HydrophobicContact CE2-CB 4.36Å; F41-F84 HydrophobicContact CE2-CD1 4.17Å; F41-F84 HydrophobicContact CE2-CD2 4.32Å; F41-F84 HydrophobicContact CE2-CG 4.02Å; F41-F84 HydrophobicContact CZ-CB 3.92Å; F41-F84 HydrophobicContact CZ-CD1 4.11Å; F41-F84 AromaticContact CZ-CD2 3.47Å; F41-F84 HydrophobicContact CZ-CD2 3.47Å; F41-F84 VanDerWaalsContact CZ-CD2 3.47Å; F41-F84 AromaticContact CZ-CE2 3.94Å; F41-F84 HydrophobicContact CZ-CE2 3.94Å; F41-F84 AromaticContact CZ-CG 3.55Å; F41-F84 HydrophobicContact CZ-CG 3.55Å; F41-F84 HydrophobicContact CZ-CZ 4.43Å; F41-V86 HydrophobicContact CB-CG1 4.09Å; F41-V86 HydrophobicContact CB-CG2 3.99Å; F41-V86 HydrophobicContact CD1-CG2 3.68Å; F41-V86 HydrophobicContact CD2-CG2 4.2Å; F41-V86 HydrophobicContact CE1-CG2 4.17Å; F41-V86 HydrophobicContact CG-CG2 3.68Å; F41-L89 HydrophobicContact CB-CD2 4.41Å; F41-P90 WeakPolarHBondContact O-CA 3.28Å; F41-T91 PolarHBondContact N-O 3.07Å; F41-T91 PolarHBondContact O-N 3.34Å; F41-Y93 AromaticContact CD2-CD2 3.62Å; F41-Y93 HydrophobicContact CD2-CD2 3.62Å; F41-Y93 AromaticContact CD2-CE2 3.97Å; F41-Y93 HydrophobicContact CD2-CE2 3.97Å; F41-Y93 AromaticContact CE2-CD2 3.52Å; F41-Y93 HydrophobicContact CE2-CD2 3.52Å; F41-Y93 AromaticContact CE2-CE2 3.96Å; F41-Y93 HydrophobicContact CE2-CE2 3.96Å
42Y96.6Very high95Very high47 Ų4746.9 Ų46.918%0.18424%0.238CC..EExtended strand (participates in β ladder)trans-141172.8-177.979.1-78.2000111.8D71 V72 D73 V74Y42-D71 HydrophobicContact CD1-CB 3.92Å; Y42-D71 HydrophobicContact CE1-CB 3.72Å; Y42-D71 WeakPolarHBondContact CE1-OD2 3.4Å; Y42-V72 VanDerWaalsContact CD1-O 3.27Å; Y42-V72 WeakPolarHBondContact CD1-O 3.27Å; Y42-V72 PolarHBondContact N-O 3.12Å; Y42-D73 HydrophobicContact CE1-CB 4.26Å; Y42-V74 WeakPolarHBondContact O-CB 3.49Å; Y42-V74 WeakPolarHBondContact O-CG2 3.09Å; Y42-V74 PolarHBondContact O-N 3.38Å
43A96.5Very high95.1Very high0 Ų049.5 Ų49.50%026%0.256CS..  trans-139.3141.4169.300000109.3W45 C46 T75 L89A43-W45 VanDerWaalsContact C-N 3.28Å; A43-W45 HydrophobicContact CB-CD2 4.13Å; A43-W45 HydrophobicContact CB-CG 4.49Å; A43-W45 HydrophobicContact CB-CH2 4.48Å; A43-W45 HydrophobicContact CB-CZ2 3.74Å; A43-W45 PolarHBondContact O-N 3.05Å; A43-C46 HydrophobicContact CB-CB 4.43Å; A43-C46 WeakPolarHBondContact O-CB 3.35Å; A43-C46 PolarHBondContact O-N 3.15Å; A43-C46 VanDerWaalsContact O-N 3.15Å; A43-T75 HydrophobicContact CB-CG2 4.24Å; A43-L89 HydrophobicContact CB-CD1 3.61Å
44P94.3Very high95.2Very high68 Ų6851.5 Ų51.544%0.44227%0.27SS..THydrogen-bonded Turntrans-67.7-28.4-171.424.1-33.9000113.2C46 D73P44-C46 VanDerWaalsContact C-N 3.33Å; P44-D73 WeakPolarHBondContact CD-OD1 3.11Å; P44-D73 WeakPolarHBondContact CD-OD2 3.39Å
45W94.8Very high95.3Very high171 Ų17147.5 Ų47.565%0.64825%0.249SC*.THydrogen-bonded Turntrans-79.7-12.2178.351.2-100.5000113.5A43 L89A43-W45 VanDerWaalsContact C-N 3.28Å; A43-W45 HydrophobicContact CB-CD2 4.13Å; A43-W45 HydrophobicContact CB-CG 4.49Å; A43-W45 HydrophobicContact CB-CH2 4.48Å; A43-W45 HydrophobicContact CB-CZ2 3.74Å; A43-W45 PolarHBondContact O-N 3.05Å; W45-L89 HydrophobicContact CH2-CD1 4.39Å; W45-L89 HydrophobicContact CZ2-CD1 4.49Å
46C96Very high95.5Very high16 Ų1646.1 Ų46.111%0.10823%0.234CC..  trans-82.6122.7-174179.60000112A43 P44 A48 C49 R50A43-C46 HydrophobicContact CB-CB 4.43Å; A43-C46 WeakPolarHBondContact O-CB 3.35Å; A43-C46 PolarHBondContact O-N 3.15Å; A43-C46 VanDerWaalsContact O-N 3.15Å; P44-C46 VanDerWaalsContact C-N 3.33Å; C46-A48 PolarHBondContact O-N 3.41Å; C46-C49 HydrophobicContact CB-CB 3.93Å; C46-C49 WeakPolarHBondContact O-CB 3.25Å; C46-C49 PolarHBondContact O-N 3.38Å; C46-C49 VanDerWaalsContact SG-SG 3.65Å; C46-R50 PolarHBondContact O-N 3.17Å
47P96.7Very high95.4Very high79 Ų7950 Ų5051%0.51325%0.252SS..Hα-helixtrans-64.5-37.8-178.824.9-33.1000113.3C49 R50 Q51P47-C49 VanDerWaalsContact C-N 3.33Å; P47-C49 PolarHBondContact O-N 3.4Å; P47-R50 PolarHBondContact O-N 3.42Å; P47-Q51 PolarHBondContact O-N 3.36Å
48A94.9Very high95.3Very high45 Ų4554.3 Ų54.337%0.37227%0.272SS..Hα-helixtrans-64.5-38.4177.300000111.9C46 Q51 F52C46-A48 PolarHBondContact O-N 3.41Å; A48-Q51 PolarHBondContact O-N 3.32Å; A48-F52 PolarHBondContact O-N 3.27Å; A48-F52 VanDerWaalsContact O-N 3.12Å
49C95.7Very high95.2Very high4 Ų454.4 Ų54.43%0.02727%0.273CS..Hα-helixtrans-63.1-41.4174.8-660000112.1C46 P47 Q51 F52 S53C46-C49 HydrophobicContact CB-CB 3.93Å; C46-C49 WeakPolarHBondContact O-CB 3.25Å; C46-C49 PolarHBondContact O-N 3.38Å; C46-C49 VanDerWaalsContact SG-SG 3.65Å; P47-C49 VanDerWaalsContact C-N 3.33Å; P47-C49 PolarHBondContact O-N 3.4Å; C49-Q51 VanDerWaalsContact C-N 3.34Å; C49-Q51 PolarHBondContact O-N 2.97Å; C49-F52 PolarHBondContact O-N 3.46Å; C49-S53 PolarHBondContact O-N 3.42Å
50R95.7Very high95Very high167 Ų16755 Ų5563%0.6328%0.277SS*.Hα-helixtrans-63.3-39.2178-69.2-171.9-64.6-172.9-1.4112.4C46 P47 F52 S53 P54C46-R50 PolarHBondContact O-N 3.17Å; P47-R50 PolarHBondContact O-N 3.42Å; R50-F52 VanDerWaalsContact C-N 3.34Å; R50-S53 WeakPolarHBondContact O-CB 3.39Å; R50-S53 PolarHBondContact O-N 2.78Å; R50-P54 WeakPolarHBondContact O-CD 3.33Å
51Q95.6Very high94.8Very high150 Ų15058.7 Ų58.770%0.70130%0.297SS*.Hα-helixtrans-68-33.3175.5-68.8177.13.800112.7P47 A48 C49 P54P47-Q51 PolarHBondContact O-N 3.36Å; A48-Q51 PolarHBondContact O-N 3.32Å; C49-Q51 VanDerWaalsContact C-N 3.34Å; C49-Q51 PolarHBondContact O-N 2.97Å; Q51-P54 WeakPolarHBondContact O-CD 3.43Å; Q51-P54 WeakPolarHBondContact O-CG 2.97Å
52F95.7Very high94.4Very high6 Ų660 Ų603%0.02630%0.304CS..Hα-helixtrans-81.6-22.1179-173.4-123.4000113.5K40 A48 C49 R50 I55 W56 P90 V92 R107 L112K40-F52 HydrophobicContact CD-CD1 3.56Å; K40-F52 HydrophobicContact CD-CE1 3.61Å; K40-F52 HydrophobicContact CG-CD1 4.29Å; K40-F52 HydrophobicContact CG-CE1 4.05Å; A48-F52 PolarHBondContact O-N 3.27Å; A48-F52 VanDerWaalsContact O-N 3.12Å; C49-F52 PolarHBondContact O-N 3.46Å; R50-F52 VanDerWaalsContact C-N 3.34Å; F52-I55 HydrophobicContact CD2-CB 4.1Å; F52-I55 HydrophobicContact CD2-CD1 4.34Å; F52-I55 HydrophobicContact CD2-CG2 4.32Å; F52-I55 HydrophobicContact CE2-CB 4.27Å; F52-I55 HydrophobicContact CE2-CG2 4.02Å; F52-I55 WeakPolarHBondContact O-CB 3.34Å; F52-I55 PolarHBondContact O-N 2.74Å; F52-I55 VanDerWaalsContact O-N 3.15Å; F52-W56 HydrophobicContact CE1-CD2 4.29Å; F52-W56 AromaticContact CE1-CE3 3.64Å; F52-W56 HydrophobicContact CE1-CE3 3.64Å; F52-W56 HydrophobicContact CE1-CZ3 4.19Å; F52-W56 AromaticContact CZ-CE3 3.61Å; F52-W56 HydrophobicContact CZ-CE3 3.61Å; F52-W56 HydrophobicContact CZ-CZ3 4.07Å; F52-W56 PolarHBondContact O-N 3.34Å; F52-P90 HydrophobicContact CB-CG 4.01Å; F52-P90 HydrophobicContact CD1-CB 3.9Å; F52-P90 HydrophobicContact CD1-CG 3.67Å; F52-P90 HydrophobicContact CE1-CB 4.49Å; F52-P90 HydrophobicContact CE1-CG 4.45Å; F52-P90 HydrophobicContact CG-CG 4.03Å; F52-V92 HydrophobicContact CE1-CG2 3.83Å; F52-V92 HydrophobicContact CZ-CG2 4.05Å; F52-R107 HydrophobicContact CD2-CB 3.78Å; F52-R107 HydrophobicContact CD2-CG 4.45Å; F52-R107 HydrophobicContact CE2-CB 3.66Å; F52-R107 HydrophobicContact CE2-CG 4.2Å; F52-R107 WeakPolarHBondContact CE2-O 3.35Å; F52-R107 HydrophobicContact CZ-CB 4.46Å; F52-L112 HydrophobicContact CE2-CD1 3.87Å; F52-L112 HydrophobicContact CZ-CD1 3.78Å
53S94.2Very high93.8Very high55 Ų5563.3 Ų63.339%0.38533%0.334SS..Hα-helixtrans-51.3-49.3179-1580000115.1C49 R50 I55 W56 Q57C49-S53 PolarHBondContact O-N 3.42Å; R50-S53 WeakPolarHBondContact O-CB 3.39Å; R50-S53 PolarHBondContact O-N 2.78Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 3.25Å; S53-W56 WeakPolarHBondContact O-CB 3.38Å; S53-W56 PolarHBondContact O-N 3.39Å; S53-Q57 PolarHBondContact O-N 3.23Å
54P94.2Very high93.3Very high64 Ų6466 Ų6642%0.41635%0.353SS..Hα-helixtrans-64.9-34.1178.624.7-35.2000112.9R50 Q51 W56 Q57 Q58R50-P54 WeakPolarHBondContact O-CD 3.33Å; Q51-P54 WeakPolarHBondContact O-CD 3.43Å; Q51-P54 WeakPolarHBondContact O-CG 2.97Å; P54-W56 VanDerWaalsContact C-N 3.34Å; P54-Q57 PolarHBondContact O-N 3.49Å; P54-Q58 WeakPolarHBondContact O-CG 3.41Å; P54-Q58 PolarHBondContact O-N 3.15Å
55I94.6Very high92.9Very high43 Ų4363.6 Ų63.622%0.22134%0.336CS..Hα-helixtrans-66.1-41.9176.4-59.9176.1000109.8F52 S53 Q57 Q58 L59 R107 L109 L112F52-I55 HydrophobicContact CD2-CB 4.1Å; F52-I55 HydrophobicContact CD2-CD1 4.34Å; F52-I55 HydrophobicContact CD2-CG2 4.32Å; F52-I55 HydrophobicContact CE2-CB 4.27Å; F52-I55 HydrophobicContact CE2-CG2 4.02Å; F52-I55 WeakPolarHBondContact O-CB 3.34Å; F52-I55 PolarHBondContact O-N 2.74Å; F52-I55 VanDerWaalsContact O-N 3.15Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 3.25Å; I55-Q57 VanDerWaalsContact C-N 3.34Å; I55-Q57 PolarHBondContact O-N 3.43Å; I55-Q58 PolarHBondContact O-N 2.85Å; I55-L59 PolarHBondContact O-N 3.46Å; I55-R107 WeakPolarHBondContact CD1-O 3.28Å; I55-L109 HydrophobicContact CG2-CB 4.08Å; I55-L112 HydrophobicContact CG2-CD1 4.39Å
56W95.5Very high92.6Very high2 Ų263.2 Ų63.21%0.00835%0.347CS..Hα-helixtrans-64.1-38.9177.4-163.9-107.9000112.8L38 K40 F52 S53 P54 L59 S60 V69 A70 V92 L112L38-W56 HydrophobicContact CB-CH2 3.81Å; L38-W56 HydrophobicContact CB-CZ2 4.26Å; L38-W56 WeakPolarHBondContact O-CZ2 3.32Å; K40-W56 HydrophobicContact CB-CD2 3.95Å; K40-W56 VanDerWaalsContact CB-CE2 3.49Å; K40-W56 HydrophobicContact CB-CE3 4.35Å; K40-W56 HydrophobicContact CB-CH2 3.88Å; K40-W56 HydrophobicContact CB-CZ2 3.47Å; K40-W56 VanDerWaalsContact CB-CZ2 3.47Å; K40-W56 HydrophobicContact CB-CZ3 4.32Å; K40-W56 HydrophobicContact CD-CB 4.32Å; K40-W56 HydrophobicContact CD-CD2 3.94Å; K40-W56 HydrophobicContact CD-CE3 4.43Å; K40-W56 HydrophobicContact CD-CG 3.87Å; K40-W56 HydrophobicContact CG-CD2 4.5Å; K40-W56 VanDerWaalsContact NZ-CD1 3.3Å; F52-W56 HydrophobicContact CE1-CD2 4.29Å; F52-W56 AromaticContact CE1-CE3 3.64Å; F52-W56 HydrophobicContact CE1-CE3 3.64Å; F52-W56 HydrophobicContact CE1-CZ3 4.19Å; F52-W56 AromaticContact CZ-CE3 3.61Å; F52-W56 HydrophobicContact CZ-CE3 3.61Å; F52-W56 HydrophobicContact CZ-CZ3 4.07Å; F52-W56 PolarHBondContact O-N 3.34Å; S53-W56 WeakPolarHBondContact O-CB 3.38Å; S53-W56 PolarHBondContact O-N 3.39Å; P54-W56 VanDerWaalsContact C-N 3.34Å; W56-L59 HydrophobicContact CE3-CD2 3.93Å; W56-L59 HydrophobicContact CH2-CD2 4.35Å; W56-L59 HydrophobicContact CZ3-CD2 3.76Å; W56-L59 WeakPolarHBondContact O-CB 3.48Å; W56-L59 PolarHBondContact O-N 3.26Å; W56-S60 PolarHBondContact O-N 3.26Å; W56-V69 HydrophobicContact CD2-CG1 4.12Å; W56-V69 HydrophobicContact CH2-CG1 4.42Å; W56-V69 HydrophobicContact CZ2-CG1 3.57Å; W56-A70 VanDerWaalsContact CZ2-O 3.3Å; W56-A70 WeakPolarHBondContact CZ2-O 3.39Å; W56-A70 PolarHBondContact NE1-O 2.88Å; W56-V92 HydrophobicContact CH2-CG1 3.84Å; W56-V92 HydrophobicContact CH2-CG2 4.28Å; W56-V92 HydrophobicContact CZ3-CG1 3.98Å; W56-V92 HydrophobicContact CZ3-CG2 3.93Å; W56-L112 HydrophobicContact CE3-CD1 4.48Å; W56-L112 HydrophobicContact CZ3-CD1 4.45Å
57Q93.6Very high92.4Very high114 Ų11463.3 Ų63.353%0.53335%0.347SS..Hα-helixtrans-68.8-40.5176-171.6175.3-2.600111.8S53 P54 I55 L59 S60 D61S53-Q57 PolarHBondContact O-N 3.23Å; P54-Q57 PolarHBondContact O-N 3.49Å; I55-Q57 VanDerWaalsContact C-N 3.34Å; I55-Q57 PolarHBondContact O-N 3.43Å; Q57-L59 PolarHBondContact O-N 2.74Å; Q57-S60 PolarHBondContact O-N 3.31Å; Q57-S60 PolarHBondContact O-OG 3.34Å; Q57-D61 PolarHBondContact O-N 3.24Å
58Q93.2Very high92.3Very high106 Ų10665 Ų6550%0.49535%0.346SS..Hα-helixtrans-62.2-33.3172.7-72.2173.929.200112.2P54 I55 D61 D62 L109P54-Q58 WeakPolarHBondContact O-CG 3.41Å; P54-Q58 PolarHBondContact O-N 3.15Å; I55-Q58 PolarHBondContact O-N 2.85Å; Q58-D61 PolarHBondContact O-N 3.29Å; Q58-D62 PolarHBondContact O-N 2.92Å; Q58-L109 HydrophobicContact CB-CD1 3.96Å; Q58-L109 HydrophobicContact CB-CD2 4.03Å
59L93.1Very high92.3Very high2 Ų263.4 Ų63.41%0.0133%0.332CS..Hα-helixtrans-68.2-41.1175.1-171.375.9000111.8L38 I55 W56 Q57 D61 D62 I65 L109 L112L38-L59 HydrophobicContact CD1-CD2 3.73Å; I55-L59 PolarHBondContact O-N 3.46Å; W56-L59 HydrophobicContact CE3-CD2 3.93Å; W56-L59 HydrophobicContact CH2-CD2 4.35Å; W56-L59 HydrophobicContact CZ3-CD2 3.76Å; W56-L59 WeakPolarHBondContact O-CB 3.48Å; W56-L59 PolarHBondContact O-N 3.26Å; Q57-L59 PolarHBondContact O-N 2.74Å; L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D62 PolarHBondContact O-N 3.31Å; L59-I65 HydrophobicContact CD1-CD1 3.32Å; L59-I65 HydrophobicContact CG-CD1 4.23Å; L59-L109 HydrophobicContact CB-CD1 3.92Å; L59-L109 HydrophobicContact CD1-CD1 4.01Å; L59-L112 HydrophobicContact CD1-CB 3.82Å; L59-L112 HydrophobicContact CD2-CB 4.14Å; L59-L112 HydrophobicContact CD2-CD1 4.1Å
60S92.2Very high92.3Very high13 Ų1363.2 Ų63.29%0.09133%0.331CS..Hα-helixtrans-63.8-39.6174.559.20000111.4P19 V21 W56 Q57 D62P19-S60 WeakPolarHBondContact CB-O 3.45Å; V21-S60 VanDerWaalsContact CG2-OG 3.31Å; V21-S60 WeakPolarHBondContact CG2-OG 3.41Å; W56-S60 PolarHBondContact O-N 3.26Å; Q57-S60 PolarHBondContact O-N 3.31Å; Q57-S60 PolarHBondContact O-OG 3.34Å; S60-D62 PolarHBondContact O-N 2.91Å
61D90.7Very high92.3Very high81 Ų8155.8 Ų55.843%0.43330%0.304SS..Hα-helixtrans-70.6-14.7-179.6-65.7-15000113.2Q57 Q58 L59 S63Q57-D61 PolarHBondContact O-N 3.24Å; Q58-D61 PolarHBondContact O-N 3.29Å; L59-D61 VanDerWaalsContact C-N 3.3Å; D61-S63 PolarHBondContact O-N 3.38Å
62D89Confident92.3Very high27 Ų2748.6 Ų48.614%0.14427%0.27CS..  trans-78.393.2-176.9-166.7-15.8000112Q58 L59 S60 S64 I65 R113Q58-D62 PolarHBondContact O-N 2.92Å; L59-D62 PolarHBondContact O-N 3.31Å; S60-D62 PolarHBondContact O-N 2.91Å; D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 PolarHBondContact O-N 2.82Å; D62-S64 WeakPolarHBondContact OD1-CB 3.42Å; D62-S64 PolarHBondContact OD1-N 2.88Å; D62-S64 PolarHBondContact OD1-OG 3.2Å; D62-S64 PolarHBondContact OD2-OG 3.45Å; D62-I65 HydrophobicContact CB-CD1 4.23Å; D62-I65 HydrophobicContact CB-CG1 4.35Å; D62-I65 PolarHBondContact O-N 3.46Å; D62-I65 VanDerWaalsContact O-N 3.1Å; D62-R113 IonicContact OD2-CZ 3.89Å; D62-R113 IonicContact OD2-NE 2.79Å; D62-R113 PolarHBondContact OD2-NE 3.23Å; D62-R113 IonicContact OD2-NH2 3.18Å; D62-R113 PolarHBondContact OD2-NH2 3.17Å
63S84.3Confident92.3Very high117 Ų11749 Ų4982%0.81827%0.272SS*.THydrogen-bonded Turntrans-61.2-10.4176.162.50000114.7D61 I65D61-S63 PolarHBondContact O-N 3.38Å; S63-I65 PolarHBondContact O-N 2.96Å
64S85.5Confident92.3Very high57 Ų5748.1 Ų48.140%0.39927%0.265SS..THydrogen-bonded Turntrans-77.6-7.8175.779.30000113.4D62 K117D62-S64 VanDerWaalsContact CG-OG 3.27Å; D62-S64 PolarHBondContact O-N 2.82Å; D62-S64 WeakPolarHBondContact OD1-CB 3.42Å; D62-S64 PolarHBondContact OD1-N 2.88Å; D62-S64 PolarHBondContact OD1-OG 3.2Å; D62-S64 PolarHBondContact OD2-OG 3.45Å; S64-K117 VanDerWaalsContact CB-NZ 3.3Å; S64-K117 VanDerWaalsContact O-CE 3.23Å; S64-K117 WeakPolarHBondContact O-CE 3.29Å; S64-K117 VanDerWaalsContact OG-CE 3.27Å; S64-K117 WeakPolarHBondContact OG-CE 3.42Å; S64-K117 PolarHBondContact OG-NZ 2.98Å
65I86.7Confident92.2Very high16 Ų1648.4 Ų48.48%0.08227%0.266CS..  trans-110.8119.8178.1-47.6178.1000108.3L59 D62 S63 V67 R113 V116L59-I65 HydrophobicContact CD1-CD1 3.32Å; L59-I65 HydrophobicContact CG-CD1 4.23Å; D62-I65 HydrophobicContact CB-CD1 4.23Å; D62-I65 HydrophobicContact CB-CG1 4.35Å; D62-I65 PolarHBondContact O-N 3.46Å; D62-I65 VanDerWaalsContact O-N 3.1Å; S63-I65 PolarHBondContact O-N 2.96Å; I65-V67 VanDerWaalsContact C-N 3.29Å; I65-V67 HydrophobicContact CG2-CB 4.34Å; I65-V67 HydrophobicContact CG2-CG1 4.23Å; I65-V67 HydrophobicContact CG2-CG2 3.5Å; I65-V67 VanDerWaalsContact CG2-CG2 3.5Å; I65-V67 PolarHBondContact O-N 3.32Å; I65-R113 HydrophobicContact CD1-CB 4.02Å; I65-R113 HydrophobicContact CD1-CG 3.97Å; I65-R113 HydrophobicContact CG1-CG 4.14Å; I65-V116 HydrophobicContact CG2-CB 3.85Å; I65-V116 HydrophobicContact CG2-CG1 3.48Å; I65-V116 VanDerWaalsContact CG2-CG1 3.48Å; I65-V116 HydrophobicContact CG2-CG2 4.13Å
66N87.3Confident92.1Very high163 Ų16352.5 Ų52.587%0.87228%0.284SS*.  trans-9351-178.1-168.228.1000111.8
67V92.4Very high91.9Very high19 Ų1952.7 Ų52.712%0.11529%0.285CS..SBendtrans-131.5148.3179.1-54.80000110.5E36 L38 I65 V116E36-V67 HydrophobicContact CB-CG1 4.18Å; E36-V67 HydrophobicContact CG-CB 4.25Å; E36-V67 HydrophobicContact CG-CG1 3.6Å; L38-V67 HydrophobicContact CD1-CG2 3.87Å; L38-V67 HydrophobicContact CG-CG2 3.94Å; I65-V67 VanDerWaalsContact C-N 3.29Å; I65-V67 HydrophobicContact CG2-CB 4.34Å; I65-V67 HydrophobicContact CG2-CG1 4.23Å; I65-V67 HydrophobicContact CG2-CG2 3.5Å; I65-V67 VanDerWaalsContact CG2-CG2 3.5Å; I65-V67 PolarHBondContact O-N 3.32Å; V67-V116 HydrophobicContact CG1-CG1 3.45Å; V67-V116 VanDerWaalsContact CG1-CG1 3.45Å; V67-V116 HydrophobicContact CG2-CG1 4.33Å; V67-V116 HydrophobicContact CG2-CG2 4.37Å
68F93.7Very high91.7Very high113 Ų11350.4 Ų50.450%0.49628%0.28SS..EExtended strand (participates in β ladder)trans-78.1129.6176.8-64.2-72.1000110.4E36 W37 L38E36-F68 WeakPolarHBondContact O-CD2 3.34Å; E36-F68 PolarHBondContact O-N 3.3Å; W37-F68 CarbonylContact C-O 3.48Å; W37-F68 VanDerWaalsContact CA-O 3.23Å; W37-F68 WeakPolarHBondContact CA-O 3.31Å; W37-F68 HydrophobicContact CD2-CB 3.38Å; W37-F68 HydrophobicContact CD2-CD2 4.19Å; W37-F68 HydrophobicContact CD2-CG 4.11Å; W37-F68 AromaticContact CE2-CD2 3.69Å; W37-F68 AromaticContact CE2-CG 3.89Å; W37-F68 HydrophobicContact CE3-CB 3.35Å; W37-F68 HydrophobicContact CE3-CG 4.31Å; W37-F68 HydrophobicContact CG-CB 3.97Å; W37-F68 HydrophobicContact CH2-CB 3.96Å; W37-F68 HydrophobicContact CH2-CG 4.13Å; W37-F68 HydrophobicContact CZ2-CB 4Å; W37-F68 AromaticContact CZ2-CD2 3.91Å; W37-F68 HydrophobicContact CZ2-CD2 3.91Å; W37-F68 AromaticContact CZ2-CG 3.91Å; W37-F68 HydrophobicContact CZ2-CG 3.91Å; W37-F68 HydrophobicContact CZ3-CB 3.66Å; W37-F68 HydrophobicContact CZ3-CG 4.33Å; W37-F68 AromaticContact NE1-CD2 3.8Å; L38-F68 PolarHBondContact N-O 2.97Å
69V95.2Very high91.6Very high12 Ų1245.9 Ų45.97%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-104.1122.2179.5-178.90000109.2I22 W56I22-V69 PolarHBondContact N-O 3.46Å; W56-V69 HydrophobicContact CD2-CG1 4.12Å; W56-V69 HydrophobicContact CH2-CG1 4.42Å; W56-V69 HydrophobicContact CZ2-CG1 3.57Å
70A95.8Very high91.4Very high0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-132.2158.6-177.400000111.8I22 L24 W37 L38 V39 K40 W56I22-A70 HydrophobicContact CB-CB 4.23Å; I22-A70 CarbonylContact O-C 3.49Å; I22-A70 WeakPolarHBondContact O-CA 3.27Å; I22-A70 WeakPolarHBondContact O-CB 3.3Å; L24-A70 HydrophobicContact CD1-CB 3.59Å; L24-A70 HydrophobicContact CG-CB 3.86Å; W37-A70 HydrophobicContact CE3-CB 3.9Å; W37-A70 HydrophobicContact CZ3-CB 4.11Å; L38-A70 PolarHBondContact O-N 3.36Å; V39-A70 WeakPolarHBondContact CA-O 3.3Å; V39-A70 HydrophobicContact CG2-CB 4.36Å; K40-A70 PolarHBondContact N-O 3.2Å; W56-A70 VanDerWaalsContact CZ2-O 3.3Å; W56-A70 WeakPolarHBondContact CZ2-O 3.39Å; W56-A70 PolarHBondContact NE1-O 2.88Å
71D95.3Very high91.3Very high11 Ų1145.7 Ų45.76%0.05926%0.259CS..EExtended strand (participates in β ladder)trans-134153.9172.6651.7000111.6V21 I22 H23 L24 K40 Y42V21-D71 HydrophobicContact CG1-CB 4.05Å; I22-D71 PolarHBondContact O-N 3.47Å; H23-D71 WeakPolarHBondContact CA-OD1 3.13Å; H23-D71 IonicContact CE1-OD1 3.52Å; H23-D71 PolarHBondContact CE1-OD1 3.48Å; H23-D71 IonicContact CE1-OD2 3.39Å; H23-D71 PolarHBondContact CE1-OD2 3Å; H23-D71 IonicContact CG-OD1 2.79Å; H23-D71 IonicContact ND1-OD1 2.69Å; H23-D71 PolarHBondContact ND1-OD1 3.43Å; H23-D71 IonicContact ND1-OD2 2.62Å; H23-D71 PolarHBondContact ND1-OD2 3.37Å; L24-D71 PolarHBondContact N-O 3.34Å; K40-D71 HydrophobicContact CB-CB 4.41Å; K40-D71 CarbonylContact O-C 3.6Å; K40-D71 VanDerWaalsContact O-CA 3.26Å; K40-D71 WeakPolarHBondContact O-CA 3.38Å; Y42-D71 HydrophobicContact CD1-CB 3.92Å; Y42-D71 HydrophobicContact CE1-CB 3.72Å; Y42-D71 WeakPolarHBondContact CE1-OD2 3.4Å
72V95.7Very high91.3Very high0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-129.6121.3-179176.80000107.5L24 V39 K40 F41 Y42 L80L24-V72 HydrophobicContact CB-CG2 3.72Å; V39-V72 HydrophobicContact CG1-CG2 3.75Å; K40-V72 PolarHBondContact O-N 3.31Å; F41-V72 WeakPolarHBondContact CA-O 3.08Å; F41-V72 HydrophobicContact CD1-CB 3.8Å; F41-V72 HydrophobicContact CD1-CG1 3.73Å; F41-V72 HydrophobicContact CD1-CG2 4.49Å; F41-V72 HydrophobicContact CE1-CB 3.85Å; F41-V72 HydrophobicContact CE1-CG1 3.61Å; F41-V72 HydrophobicContact CE1-CG2 4.13Å; F41-V72 HydrophobicContact CG-CB 4.31Å; F41-V72 HydrophobicContact CZ-CB 4.37Å; F41-V72 HydrophobicContact CZ-CG1 4.46Å; F41-V72 HydrophobicContact CZ-CG2 4.2Å; Y42-V72 VanDerWaalsContact CD1-O 3.27Å; Y42-V72 WeakPolarHBondContact CD1-O 3.27Å; Y42-V72 PolarHBondContact N-O 3.12Å; V72-L80 HydrophobicContact CG1-CD2 3.84Å; V72-L80 HydrophobicContact CG1-CG 4.5Å; V72-L80 HydrophobicContact CG2-CD2 4.1Å
73D95.7Very high91.1Very high13 Ų1345.3 Ų45.37%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-80.5119.4170.1-167.6-23.1000109.7Y42 P44 T75 E76 S77Y42-D73 HydrophobicContact CE1-CB 4.26Å; P44-D73 WeakPolarHBondContact CD-OD1 3.11Å; P44-D73 WeakPolarHBondContact CD-OD2 3.39Å; D73-T75 PolarHBondContact O-N 2.93Å; D73-T75 WeakPolarHBondContact OD1-CB 3.44Å; D73-T75 PolarHBondContact OD1-N 2.94Å; D73-T75 PolarHBondContact OD1-OG1 3.26Å; D73-T75 PolarHBondContact OD2-OG1 3.47Å; D73-E76 HydrophobicContact CB-CB 4.19Å; D73-E76 HydrophobicContact CB-CG 4.06Å; D73-E76 PolarHBondContact O-N 2.93Å; D73-S77 PolarHBondContact O-N 3.46Å
74V94.5Very high91.3Very high37 Ų3740.1 Ų40.122%0.22422%0.215CC..THydrogen-bonded Turntrans-66.5-24.2178.8173.60000112.5F41 Y42 S81 L89F41-V74 HydrophobicContact CB-CG2 4.16Å; F41-V74 HydrophobicContact CD1-CG2 4.2Å; Y42-V74 WeakPolarHBondContact O-CB 3.49Å; Y42-V74 WeakPolarHBondContact O-CG2 3.09Å; Y42-V74 PolarHBondContact O-N 3.38Å; V74-S81 VanDerWaalsContact CA-OG 3.24Å; V74-S81 WeakPolarHBondContact CA-OG 3.38Å; V74-S81 WeakPolarHBondContact CG2-OG 3.47Å; V74-L89 HydrophobicContact CG2-CD2 3.9Å
75T92.6Very high91.3Very high71 Ų7142.4 Ų42.444%0.43622%0.218SC..THydrogen-bonded Turntrans-80.5-35.2178.966.70000112.8A43 D73A43-T75 HydrophobicContact CB-CG2 4.24Å; D73-T75 PolarHBondContact O-N 2.93Å; D73-T75 WeakPolarHBondContact OD1-CB 3.44Å; D73-T75 PolarHBondContact OD1-N 2.94Å; D73-T75 PolarHBondContact OD1-OG1 3.26Å; D73-T75 PolarHBondContact OD2-OG1 3.47Å
76E92.4Very high91.5Very high129 Ų12943 Ų4360%0.60322%0.222SC*.THydrogen-bonded Turntrans-78.7-38.9175.9-64-167.6167.900112D73 P78D73-E76 HydrophobicContact CB-CB 4.19Å; D73-E76 HydrophobicContact CB-CG 4.06Å; D73-E76 PolarHBondContact O-N 2.93Å; E76-P78 VanDerWaalsContact C-CD 3.42Å; E76-P78 VanDerWaalsContact O-CD 3.24Å; E76-P78 WeakPolarHBondContact O-CD 3.44Å
77S90.6Very high91.5Very high6 Ų644 Ų444%0.04222%0.219CC..  trans-119.971-175.6-69.50000112.1N25 S26 D73 V79 L80 S81N25-S77 WeakPolarHBondContact CA-OG 3.46Å; N25-S77 PolarHBondContact OD1-OG 3.33Å; S26-S77 PolarHBondContact N-OG 3.03Å; D73-S77 PolarHBondContact O-N 3.46Å; S77-V79 VanDerWaalsContact C-N 3.33Å; S77-V79 PolarHBondContact O-N 2.97Å; S77-L80 PolarHBondContact O-N 3.34Å; S77-S81 PolarHBondContact O-N 3.49Å; S77-S81 PolarHBondContact O-OG 3.27Å
78P90.2Very high91.5Very high66 Ų6651 Ų5143%0.42924%0.243SC..Hα-helixtrans-65-34.8-177.525.4-34.6000112.8E76 S81 F82 I149E76-P78 VanDerWaalsContact C-CD 3.42Å; E76-P78 VanDerWaalsContact O-CD 3.24Å; E76-P78 WeakPolarHBondContact O-CD 3.44Å; P78-S81 PolarHBondContact O-N 3.41Å; P78-F82 WeakPolarHBondContact O-CB 3.38Å; P78-F82 PolarHBondContact O-N 3.31Å; P78-I149 HydrophobicContact CG-CD1 4.06Å
79V90.4Very high91.6Very high10 Ų1047.7 Ų47.76%0.06123%0.23CC..Hα-helixtrans-62.8-47.1178.8-178.40000111.1S77 S81 F82 I83 I142 M145 I149S77-V79 VanDerWaalsContact C-N 3.33Å; S77-V79 PolarHBondContact O-N 2.97Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.06Å; V79-F82 PolarHBondContact O-N 2.91Å; V79-I83 HydrophobicContact CG1-CD1 3.83Å; V79-I83 VanDerWaalsContact O-CD1 3.27Å; V79-I83 WeakPolarHBondContact O-CD1 3.42Å; V79-I83 VanDerWaalsContact O-CG1 3.28Å; V79-I83 WeakPolarHBondContact O-CG1 3.35Å; V79-I83 PolarHBondContact O-N 2.98Å; V79-I142 HydrophobicContact CG1-CG2 3.81Å; V79-M145 HydrophobicContact CG1-CB 3.96Å; V79-M145 HydrophobicContact CG2-CB 4.33Å; V79-I149 HydrophobicContact CG2-CD1 3.23Å; V79-I149 HydrophobicContact CG2-CG1 4.44Å
80L89.3Confident91.6Very high4 Ų447.3 Ų47.32%0.02123%0.228CC..Hα-helixtrans-61.8-44.3179.2-170.960000110.6W29 F41 V72 S77 F82 I83 F84W29-L80 HydrophobicContact CB-CD1 4.22Å; W29-L80 HydrophobicContact CB-CD2 3.72Å; W29-L80 HydrophobicContact CD2-CD1 4.01Å; W29-L80 HydrophobicContact CE3-CD1 4.4Å; W29-L80 HydrophobicContact CG-CD1 3.93Å; W29-L80 HydrophobicContact CG-CD2 4.2Å; F41-L80 HydrophobicContact CE1-CG 4.29Å; V72-L80 HydrophobicContact CG1-CD2 3.84Å; V72-L80 HydrophobicContact CG1-CG 4.5Å; V72-L80 HydrophobicContact CG2-CD2 4.1Å; S77-L80 PolarHBondContact O-N 3.34Å; L80-F82 VanDerWaalsContact C-N 3.33Å; L80-F82 PolarHBondContact O-N 2.89Å; L80-I83 WeakPolarHBondContact O-CB 3.35Å; L80-I83 PolarHBondContact O-N 2.94Å; L80-F84 HydrophobicContact CD1-CD2 4Å; L80-F84 HydrophobicContact CD1-CE2 3.69Å; L80-F84 HydrophobicContact CG-CD2 4.27Å; L80-F84 HydrophobicContact CG-CE2 4.3Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 2.86Å; L80-F84 VanDerWaalsContact O-N 3.15Å
81S90.7Very high91.5Very high8 Ų847.5 Ų47.56%0.05623%0.229CC..Hα-helixtrans-64.2-37.8179.6-52.90000113.1V74 S77 P78 V79 F85 V86V74-S81 VanDerWaalsContact CA-OG 3.24Å; V74-S81 WeakPolarHBondContact CA-OG 3.38Å; V74-S81 WeakPolarHBondContact CG2-OG 3.47Å; S77-S81 PolarHBondContact O-N 3.49Å; S77-S81 PolarHBondContact O-OG 3.27Å; P78-S81 PolarHBondContact O-N 3.41Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.06Å; S81-F85 PolarHBondContact O-N 2.89Å; S81-V86 PolarHBondContact O-N 3.44Å
82F89.4Confident91.6Very high95 Ų9547 Ų4742%0.41723%0.227SC..Hα-helixtrans-64.6-43.4174.7-178.6-91.3000111.7P78 V79 L80 F84 F85 F141 M145P78-F82 WeakPolarHBondContact O-CB 3.38Å; P78-F82 PolarHBondContact O-N 3.31Å; V79-F82 PolarHBondContact O-N 2.91Å; L80-F82 VanDerWaalsContact C-N 3.33Å; L80-F82 PolarHBondContact O-N 2.89Å; F82-F84 VanDerWaalsContact C-N 3.35Å; F82-F84 PolarHBondContact O-N 3.49Å; F82-F85 WeakPolarHBondContact O-CA 3.43Å; F82-F85 PolarHBondContact O-N 3.42Å; F82-F141 HydrophobicContact CD1-CE1 4.1Å; F82-F141 HydrophobicContact CD1-CZ 4.48Å; F82-F141 AromaticContact CE1-CE1 3.72Å; F82-F141 HydrophobicContact CE1-CE1 3.72Å; F82-F141 AromaticContact CE1-CZ 3.74Å; F82-F141 HydrophobicContact CE1-CZ 3.74Å; F82-M145 HydrophobicContact CD1-CE 3.65Å; F82-M145 HydrophobicContact CD1-SD 3.35Å; F82-M145 WeakPolarHBondContact CD1-SD 3.47Å; F82-M145 HydrophobicContact CE1-CE 3.37Å; F82-M145 HydrophobicContact CE1-SD 3.68Å; F82-M145 HydrophobicContact CE2-CE 4.38Å; F82-M145 HydrophobicContact CG-CE 4.29Å; F82-M145 HydrophobicContact CG-SD 4.06Å; F82-M145 HydrophobicContact CZ-CE 3.77Å
83I86.6Confident91.5Very high4 Ų447.5 Ų47.52%0.02123%0.228CC..Hα-helixtrans-61.1-42.1179.2-73.2157000112.2V79 L80 F85 P133 M138 I142V79-I83 HydrophobicContact CG1-CD1 3.83Å; V79-I83 VanDerWaalsContact O-CD1 3.27Å; V79-I83 WeakPolarHBondContact O-CD1 3.42Å; V79-I83 VanDerWaalsContact O-CG1 3.28Å; V79-I83 WeakPolarHBondContact O-CG1 3.35Å; V79-I83 PolarHBondContact O-N 2.98Å; L80-I83 WeakPolarHBondContact O-CB 3.35Å; L80-I83 PolarHBondContact O-N 2.94Å; I83-F85 WeakPolarHBondContact O-CD2 3.29Å; I83-F85 PolarHBondContact O-N 3.47Å; I83-P133 HydrophobicContact CG2-CB 3.76Å; I83-M138 HydrophobicContact CB-CE 4Å; I83-M138 HydrophobicContact CG1-CE 4.08Å; I83-M138 HydrophobicContact CG2-CE 3.48Å; I83-M138 VanDerWaalsContact CG2-CE 3.48Å; I83-M138 HydrophobicContact CG2-CG 4.28Å; I83-I142 HydrophobicContact CD1-CB 4.1Å; I83-I142 HydrophobicContact CD1-CD1 3.45Å; I83-I142 VanDerWaalsContact CD1-CD1 3.45Å; I83-I142 HydrophobicContact CD1-CG1 3.38Å; I83-I142 HydrophobicContact CD1-CG2 4.03Å; I83-I142 HydrophobicContact CG1-CG1 4.36Å
84F87.7Confident91.5Very high8 Ų846.9 Ų46.94%0.03523%0.225CC..THydrogen-bonded Turntrans-76.41.4175.5-81.9-88.7000113.5M32 F41 L80 F82 V86 Y93 F100 P133M32-F84 HydrophobicContact CE-CE2 3.69Å; M32-F84 HydrophobicContact CE-CZ 3.51Å; M32-F84 HydrophobicContact SD-CZ 4.36Å; F41-F84 HydrophobicContact CE1-CB 4.29Å; F41-F84 HydrophobicContact CE1-CD2 4.13Å; F41-F84 HydrophobicContact CE1-CG 4.31Å; F41-F84 HydrophobicContact CE2-CB 4.36Å; F41-F84 HydrophobicContact CE2-CD1 4.17Å; F41-F84 HydrophobicContact CE2-CD2 4.32Å; F41-F84 HydrophobicContact CE2-CG 4.02Å; F41-F84 HydrophobicContact CZ-CB 3.92Å; F41-F84 HydrophobicContact CZ-CD1 4.11Å; F41-F84 AromaticContact CZ-CD2 3.47Å; F41-F84 HydrophobicContact CZ-CD2 3.47Å; F41-F84 VanDerWaalsContact CZ-CD2 3.47Å; F41-F84 AromaticContact CZ-CE2 3.94Å; F41-F84 HydrophobicContact CZ-CE2 3.94Å; F41-F84 AromaticContact CZ-CG 3.55Å; F41-F84 HydrophobicContact CZ-CG 3.55Å; F41-F84 HydrophobicContact CZ-CZ 4.43Å; L80-F84 HydrophobicContact CD1-CD2 4Å; L80-F84 HydrophobicContact CD1-CE2 3.69Å; L80-F84 HydrophobicContact CG-CD2 4.27Å; L80-F84 HydrophobicContact CG-CE2 4.3Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 2.86Å; L80-F84 VanDerWaalsContact O-N 3.15Å; F82-F84 VanDerWaalsContact C-N 3.35Å; F82-F84 PolarHBondContact O-N 3.49Å; F84-V86 HydrophobicContact CB-CG2 3.88Å; F84-V86 PolarHBondContact O-N 3.41Å; F84-V86 VanDerWaalsContact O-N 3.15Å; F84-Y93 HydrophobicContact CB-CE2 4.17Å; F84-Y93 HydrophobicContact CD1-CD2 4.06Å; F84-Y93 HydrophobicContact CD1-CE1 4.45Å; F84-Y93 AromaticContact CD1-CE2 3.89Å; F84-Y93 HydrophobicContact CD1-CE2 3.89Å; F84-Y93 HydrophobicContact CD1-CG 4.36Å; F84-Y93 HydrophobicContact CG-CE2 4.42Å; F84-Y93 PolarHBondContact O-OH 3.36Å; F84-F100 AromaticContact CE1-CD1 3.38Å; F84-F100 HydrophobicContact CE1-CD1 3.38Å; F84-F100 AromaticContact CE1-CE1 3.65Å; F84-F100 HydrophobicContact CE1-CE1 3.65Å; F84-F100 HydrophobicContact CE1-CG 4.03Å; F84-F100 HydrophobicContact CE1-CZ 4.46Å; F84-F100 AromaticContact CZ-CD1 3.7Å; F84-F100 HydrophobicContact CZ-CD1 3.7Å; F84-F100 AromaticContact CZ-CE1 3.41Å; F84-F100 HydrophobicContact CZ-CE1 3.41Å; F84-F100 VanDerWaalsContact CZ-CE1 3.41Å; F84-F100 HydrophobicContact CZ-CZ 4.03Å; F84-P133 HydrophobicContact CE1-CG 4.48Å; F84-P133 HydrophobicContact CE2-CB 4.45Å; F84-P133 HydrophobicContact CE2-CG 3.99Å; F84-P133 HydrophobicContact CZ-CG 3.74Å
85F85.6Confident91.5Very high105 Ų10545.1 Ų45.146%0.46121%0.214SC..THydrogen-bonded Turntrans45.445.8-177.4-72.4-83.7000112.5S81 F82 I83 K87 Y131S81-F85 PolarHBondContact O-N 2.89Å; F82-F85 WeakPolarHBondContact O-CA 3.43Å; F82-F85 PolarHBondContact O-N 3.42Å; I83-F85 WeakPolarHBondContact O-CD2 3.29Å; I83-F85 PolarHBondContact O-N 3.47Å; F85-K87 WeakPolarHBondContact O-CG 3.34Å; F85-K87 PolarHBondContact O-N 3.09Å; F85-Y131 HydrophobicContact CE2-CD1 4.01Å; F85-Y131 HydrophobicContact CE2-CE1 4.08Å
86V90Very high91.5Very high29 Ų2944.3 Ų44.318%0.17621%0.205CC..  trans-64103.7-176.8-178.80000109.5F41 S81 F84 R88 L89 Y93F41-V86 HydrophobicContact CB-CG1 4.09Å; F41-V86 HydrophobicContact CB-CG2 3.99Å; F41-V86 HydrophobicContact CD1-CG2 3.68Å; F41-V86 HydrophobicContact CD2-CG2 4.2Å; F41-V86 HydrophobicContact CE1-CG2 4.17Å; F41-V86 HydrophobicContact CG-CG2 3.68Å; S81-V86 PolarHBondContact O-N 3.44Å; F84-V86 HydrophobicContact CB-CG2 3.88Å; F84-V86 PolarHBondContact O-N 3.41Å; F84-V86 VanDerWaalsContact O-N 3.15Å; V86-R88 WeakPolarHBondContact CG1-O 3.48Å; V86-L89 HydrophobicContact CG1-CD2 3.58Å; V86-Y93 HydrophobicContact CG2-CE2 4.43Å
87K87.4Confident91.4Very high185 Ų18543.8 Ų43.880%0.80421%0.206SC*.  trans-82.3-31.5-175.7-60.5179.3-173.4165.30113.1F85F85-K87 WeakPolarHBondContact O-CG 3.34Å; F85-K87 PolarHBondContact O-N 3.09Å
88R93Very high91.3Very high166 Ų16644.2 Ų44.263%0.62621%0.212SC*.SBendtrans-141.3159-174-65.7-174-66.2-112.61.8110V86 T91V86-R88 WeakPolarHBondContact CG1-O 3.48Å; R88-T91 PolarHBondContact O-OG1 2.87Å
89L94.8Very high91.3Very high42 Ų4245.1 Ų45.122%0.2221%0.213CC..SBendtrans-125.4143.9178.3-60.5174.9000110.7F41 A43 W45 V74 V86F41-L89 HydrophobicContact CB-CD2 4.41Å; A43-L89 HydrophobicContact CB-CD1 3.61Å; W45-L89 HydrophobicContact CH2-CD1 4.39Å; W45-L89 HydrophobicContact CZ2-CD1 4.49Å; V74-L89 HydrophobicContact CG2-CD2 3.9Å; V86-L89 HydrophobicContact CG1-CD2 3.58Å
90P95.6Very high91.4Very high5 Ų544.7 Ų44.73%0.03221%0.21CC..SBendcis-75.2141.5-1130.5-32.2000111.4K40 F41 F52 R107K40-P90 HydrophobicContact CD-CB 4.48Å; K40-P90 HydrophobicContact CG-CB 4.22Å; F41-P90 WeakPolarHBondContact O-CA 3.28Å; F52-P90 HydrophobicContact CB-CG 4.01Å; F52-P90 HydrophobicContact CD1-CB 3.9Å; F52-P90 HydrophobicContact CD1-CG 3.67Å; F52-P90 HydrophobicContact CE1-CB 4.49Å; F52-P90 HydrophobicContact CE1-CG 4.45Å; F52-P90 HydrophobicContact CG-CG 4.03Å; P90-R107 PolarHBondContact O-NE 3.43Å; P90-R107 PolarHBondContact O-NH2 3.08Å
91T95Very high91.6Very high4 Ų445.9 Ų45.93%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-108.8134.2170.9-67.30000109K40 F41 R88 Y93 E102K40-T91 CarbonylContact C-O 3.55Å; K40-T91 WeakPolarHBondContact CA-O 3.32Å; F41-T91 PolarHBondContact N-O 3.07Å; F41-T91 PolarHBondContact O-N 3.34Å; R88-T91 PolarHBondContact O-OG1 2.87Å; T91-Y93 HydrophobicContact CG2-CD2 3.93Å; T91-Y93 HydrophobicContact CG2-CE2 3.47Å; T91-Y93 VanDerWaalsContact CG2-CE2 3.47Å; T91-E102 HydrophobicContact CG2-CG 4.25Å
92V95.7Very high91.7Very high1 Ų150 Ų501%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-112.5129.8178.8176.90000108.4V39 K40 F52 W56 Y103V39-V92 CarbonylContact O-C 3.56Å; V39-V92 WeakPolarHBondContact O-CA 3.48Å; K40-V92 HydrophobicContact CB-CG2 4.44Å; K40-V92 HydrophobicContact CG-CG2 4.5Å; F52-V92 HydrophobicContact CE1-CG2 3.83Å; F52-V92 HydrophobicContact CZ-CG2 4.05Å; W56-V92 HydrophobicContact CH2-CG1 3.84Å; W56-V92 HydrophobicContact CH2-CG2 4.28Å; W56-V92 HydrophobicContact CZ3-CG1 3.98Å; W56-V92 HydrophobicContact CZ3-CG2 3.93Å; V92-Y103 HydrophobicContact CB-CD1 4.24Å; V92-Y103 WeakPolarHBondContact O-CB 3.37Å; V92-Y103 PolarHBondContact O-N 3.31Å
93Y94.6Very high91.9Very high9 Ų945.9 Ų45.94%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-113.7134.3172.7-75.1-78.7000110.1V39 F41 F84 V86 T91 R101 E102 L127V39-Y93 PolarHBondContact N-O 3.4Å; V39-Y93 PolarHBondContact O-N 2.95Å; F41-Y93 AromaticContact CD2-CD2 3.62Å; F41-Y93 HydrophobicContact CD2-CD2 3.62Å; F41-Y93 AromaticContact CD2-CE2 3.97Å; F41-Y93 HydrophobicContact CD2-CE2 3.97Å; F41-Y93 AromaticContact CE2-CD2 3.52Å; F41-Y93 HydrophobicContact CE2-CD2 3.52Å; F41-Y93 AromaticContact CE2-CE2 3.96Å; F41-Y93 HydrophobicContact CE2-CE2 3.96Å; F84-Y93 HydrophobicContact CB-CE2 4.17Å; F84-Y93 HydrophobicContact CD1-CD2 4.06Å; F84-Y93 HydrophobicContact CD1-CE1 4.45Å; F84-Y93 AromaticContact CD1-CE2 3.89Å; F84-Y93 HydrophobicContact CD1-CE2 3.89Å; F84-Y93 HydrophobicContact CD1-CG 4.36Å; F84-Y93 HydrophobicContact CG-CE2 4.42Å; F84-Y93 PolarHBondContact O-OH 3.36Å; V86-Y93 HydrophobicContact CG2-CE2 4.43Å; T91-Y93 HydrophobicContact CG2-CD2 3.93Å; T91-Y93 HydrophobicContact CG2-CE2 3.47Å; T91-Y93 VanDerWaalsContact CG2-CE2 3.47Å; Y93-R101 CarbonylContact C-O 3.5Å; Y93-R101 VanDerWaalsContact CA-O 3.27Å; Y93-R101 WeakPolarHBondContact CA-O 3.3Å; Y93-R101 WeakPolarHBondContact CD1-O 3.41Å; Y93-E102 HydrophobicContact CD1-CB 4.14Å; Y93-E102 HydrophobicContact CE1-CB 3.72Å; Y93-E102 HydrophobicContact CE1-CG 4.11Å; Y93-L127 HydrophobicContact CD1-CD1 4.09Å; Y93-L127 HydrophobicContact CE1-CD1 3.72Å
94H95.2Very high92.1Very high0 Ų051.6 Ų51.60%025%0.245CC..EExtended strand (participates in β ladder)trans-89.2129.2162.3177.7-104.3000109.1E36 L38 F100 R101 Y115 Y121E36-H94 IonicContact OE1-CD2 3.96Å; E36-H94 IonicContact OE1-CE1 2.69Å; E36-H94 IonicContact OE1-NE2 3.56Å; E36-H94 PolarHBondContact OE1-NE2 3.48Å; L38-H94 HydrophobicContact CD2-CB 4.14Å; H94-F100 CarbonylContact O-C 3.54Å; H94-F100 WeakPolarHBondContact O-CA 3.27Å; H94-R101 HydrophobicContact CB-CB 4.38Å; H94-R101 PolarHBondContact N-O 2.99Å; H94-R101 PolarHBondContact O-N 2.97Å; H94-Y115 HydrophobicContact CB-CE1 3.94Å; H94-Y121 AromaticContact CE1-CD1 3.52Å; H94-Y121 AromaticContact CE1-CD2 3.47Å; H94-Y121 VanDerWaalsContact CE1-CD2 3.47Å; H94-Y121 WeakPolarHBondContact CE1-CD2 3.45Å; H94-Y121 AromaticContact CE1-CE1 3.71Å; H94-Y121 AromaticContact CE1-CE2 3.68Å; H94-Y121 AromaticContact CE1-CG 3.39Å; H94-Y121 AromaticContact CE1-CZ 3.79Å; H94-Y121 AromaticContact ND1-CD2 3.93Å; H94-Y121 AromaticContact ND1-CG 3.67Å; H94-Y121 AromaticContact NE2-CD1 3.55Å; H94-Y121 AromaticContact NE2-CE1 3.57Å; H94-Y121 AromaticContact NE2-CG 3.92Å; H94-Y121 AromaticContact NE2-CZ 3.98Å
95V94Very high92.3Very high0 Ų052.4 Ų52.40%026%0.255CS..EExtended strand (participates in β ladder)trans-124.1120.2-180-165.70000108.3M32 E36 W37 V39 L99 F100M32-V95 WeakPolarHBondContact O-CG1 3.47Å; M32-V95 HydrophobicContact SD-CG2 4.21Å; E36-V95 CarbonylContact C-O 3.57Å; E36-V95 WeakPolarHBondContact CA-O 3.35Å; W37-V95 HydrophobicContact CB-CB 4.22Å; W37-V95 PolarHBondContact N-O 3.38Å; W37-V95 PolarHBondContact O-N 2.99Å; V39-V95 HydrophobicContact CG2-CG2 3.97Å; V95-L99 CarbonylContact C-O 3.57Å; V95-L99 VanDerWaalsContact CA-O 3.3Å; V95-L99 WeakPolarHBondContact CA-O 3.36Å; V95-F100 HydrophobicContact CB-CD1 4.07Å; V95-F100 HydrophobicContact CB-CE1 4.14Å; V95-F100 HydrophobicContact CG1-CD1 3.59Å; V95-F100 HydrophobicContact CG1-CE1 3.36Å; V95-F100 HydrophobicContact CG1-CG 4.28Å; V95-F100 HydrophobicContact CG1-CZ 3.91Å; V95-F100 HydrophobicContact CG2-CD1 3.42Å; V95-F100 VanDerWaalsContact CG2-CD1 3.42Å; V95-F100 HydrophobicContact CG2-CE1 3.64Å
96K93.8Very high92.7Very high54 Ų5449.8 Ų49.824%0.23525%0.254CS..EExtended strand (participates in β ladder)trans-133.5115.3176-169.9171.1-174.7164.10109.4G35 E36 G98 L99 Y121G35-K96 WeakPolarHBondContact O-CA 3.38Å; E36-K96 HydrophobicContact CB-CG 4.34Å; E36-K96 HydrophobicContact CG-CB 4.39Å; E36-K96 HydrophobicContact CG-CD 4.34Å; E36-K96 HydrophobicContact CG-CG 4.31Å; E36-K96 WeakPolarHBondContact OE2-CE 3.24Å; E36-K96 IonicContact OE2-NZ 3.67Å; E36-K96 PolarHBondContact OE2-NZ 3.26Å; K96-G98 VanDerWaalsContact C-N 3.28Å; K96-G98 PolarHBondContact O-N 2.86Å; K96-L99 PolarHBondContact N-O 3.14Å; K96-L99 WeakPolarHBondContact O-CB 3.39Å; K96-L99 PolarHBondContact O-N 3.42Å; K96-Y121 HydrophobicContact CD-CE2 4.18Å; K96-Y121 PolarHBondContact NZ-OH 3.37Å
97N90.1Very high92.8Very high118 Ų11853.1 Ų53.163%0.63126%0.263SS*.THydrogen-bonded Turntrans51.144.9179.7-56.9-39.6000113L33 G35 L99L33-N97 CarbonylContact O-C 3.59Å; G35-N97 PolarHBondContact O-N 3.31Å; N97-L99 VanDerWaalsContact C-N 3.26Å; N97-L99 PolarHBondContact O-N 3.01Å
98G88.2Confident93.2Very high16 Ų1647.5 Ų47.517%0.16524%0.244CC..THydrogen-bonded Turntrans753.2-179.700000116.1L33 K96 F100L33-G98 PolarHBondContact O-N 3.02Å; K96-G98 VanDerWaalsContact C-N 3.28Å; K96-G98 PolarHBondContact O-N 2.86Å; G98-F100 VanDerWaalsContact O-CD2 3.28Å; G98-F100 WeakPolarHBondContact O-CD2 3.5Å; G98-F100 WeakPolarHBondContact O-CE2 3.39Å
99L90.8Very high93.2Very high84 Ų8441 Ų4144%0.4422%0.222SC..EExtended strand (participates in β ladder)trans-91.3126.5168.2-63175.6000109.7V95 K96 N97 P126V95-L99 CarbonylContact C-O 3.57Å; V95-L99 VanDerWaalsContact CA-O 3.3Å; V95-L99 WeakPolarHBondContact CA-O 3.36Å; K96-L99 PolarHBondContact N-O 3.14Å; K96-L99 WeakPolarHBondContact O-CB 3.39Å; K96-L99 PolarHBondContact O-N 3.42Å; N97-L99 VanDerWaalsContact C-N 3.26Å; N97-L99 PolarHBondContact O-N 3.01Å; L99-P126 HydrophobicContact CB-CB 4.5Å
100F92.1Very high93.2Very high2 Ų243.8 Ų43.81%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-107.4134.5-176.8-59.9-90000109.9M32 L33 F84 H94 V95 G98 P126 L127 P133M32-F100 HydrophobicContact CE-CE1 4.12Å; M32-F100 HydrophobicContact SD-CE1 4Å; L33-F100 HydrophobicContact CD2-CE2 4.06Å; L33-F100 HydrophobicContact CD2-CZ 3.55Å; F84-F100 AromaticContact CE1-CD1 3.38Å; F84-F100 HydrophobicContact CE1-CD1 3.38Å; F84-F100 AromaticContact CE1-CE1 3.65Å; F84-F100 HydrophobicContact CE1-CE1 3.65Å; F84-F100 HydrophobicContact CE1-CG 4.03Å; F84-F100 HydrophobicContact CE1-CZ 4.46Å; F84-F100 AromaticContact CZ-CD1 3.7Å; F84-F100 HydrophobicContact CZ-CD1 3.7Å; F84-F100 AromaticContact CZ-CE1 3.41Å; F84-F100 HydrophobicContact CZ-CE1 3.41Å; F84-F100 VanDerWaalsContact CZ-CE1 3.41Å; F84-F100 HydrophobicContact CZ-CZ 4.03Å; H94-F100 CarbonylContact O-C 3.54Å; H94-F100 WeakPolarHBondContact O-CA 3.27Å; V95-F100 HydrophobicContact CB-CD1 4.07Å; V95-F100 HydrophobicContact CB-CE1 4.14Å; V95-F100 HydrophobicContact CG1-CD1 3.59Å; V95-F100 HydrophobicContact CG1-CE1 3.36Å; V95-F100 HydrophobicContact CG1-CG 4.28Å; V95-F100 HydrophobicContact CG1-CZ 3.91Å; V95-F100 HydrophobicContact CG2-CD1 3.42Å; V95-F100 VanDerWaalsContact CG2-CD1 3.42Å; V95-F100 HydrophobicContact CG2-CE1 3.64Å; G98-F100 VanDerWaalsContact O-CD2 3.28Å; G98-F100 WeakPolarHBondContact O-CD2 3.5Å; G98-F100 WeakPolarHBondContact O-CE2 3.39Å; F100-P126 CarbonylContact O-C 3.59Å; F100-P126 WeakPolarHBondContact O-CA 2.91Å; F100-L127 HydrophobicContact CB-CB 4.2Å; F100-L127 HydrophobicContact CB-CD1 3.35Å; F100-L127 HydrophobicContact CB-CG 4.38Å; F100-L127 HydrophobicContact CG-CD1 4.48Å; F100-L127 PolarHBondContact O-N 3.33Å; F100-P133 HydrophobicContact CD2-CG 4.3Å; F100-P133 HydrophobicContact CE1-CG 4.17Å; F100-P133 VanDerWaalsContact CE2-CD 3.49Å; F100-P133 HydrophobicContact CE2-CG 3.51Å; F100-P133 HydrophobicContact CZ-CG 3.41Å; F100-P133 VanDerWaalsContact CZ-CG 3.41Å
101R93Very high93.2Very high29 Ų2945.3 Ų45.311%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-132.4133.4176.8-64174.1-174.788.40.9109.4Y93 H94 Y121 P126Y93-R101 CarbonylContact C-O 3.5Å; Y93-R101 VanDerWaalsContact CA-O 3.27Å; Y93-R101 WeakPolarHBondContact CA-O 3.3Å; Y93-R101 WeakPolarHBondContact CD1-O 3.41Å; H94-R101 HydrophobicContact CB-CB 4.38Å; H94-R101 PolarHBondContact N-O 2.99Å; H94-R101 PolarHBondContact O-N 2.97Å; R101-Y121 WeakPolarHBondContact CD-O 3.48Å; R101-Y121 PolarHBondContact NE-O 3.14Å; R101-Y121 VanDerWaalsContact NE-O 3.1Å; R101-P126 HydrophobicContact CG-CB 4.25Å
102E92.6Very high93.2Very high93 Ų9345.2 Ų45.244%0.43524%0.244SC..EExtended strand (participates in β ladder)trans-82.5126.6176.2-172.3178175.400109.3T91 Y93T91-E102 HydrophobicContact CG2-CG 4.25Å; Y93-E102 HydrophobicContact CD1-CB 4.14Å; Y93-E102 HydrophobicContact CE1-CB 3.72Å; Y93-E102 HydrophobicContact CE1-CG 4.11Å
103Y94.1Very high93.1Very high9 Ų947.9 Ų47.94%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-84.9115.2174.9174.1-101.2000110.6V92 G105 A106 D111 L112 Y115V92-Y103 HydrophobicContact CB-CD1 4.24Å; V92-Y103 WeakPolarHBondContact O-CB 3.37Å; V92-Y103 PolarHBondContact O-N 3.31Å; Y103-G105 VanDerWaalsContact CZ-CA 3.45Å; Y103-A106 WeakPolarHBondContact CE1-O 3.21Å; Y103-A106 PolarHBondContact OH-O 3.05Å; Y103-D111 VanDerWaalsContact OH-CG 3.22Å; Y103-D111 PolarHBondContact OH-OD2 3.45Å; Y103-L112 HydrophobicContact CD1-CD2 3.99Å; Y103-L112 HydrophobicContact CE1-CD2 3.54Å; Y103-L112 HydrophobicContact CE1-CG 4.42Å; Y103-L112 HydrophobicContact CE2-CD2 4.36Å; Y103-Y115 AromaticContact CD2-CD1 3.89Å; Y103-Y115 HydrophobicContact CD2-CD1 3.89Å; Y103-Y115 AromaticContact CD2-CD2 3.54Å; Y103-Y115 HydrophobicContact CD2-CD2 3.54Å; Y103-Y115 AromaticContact CD2-CE1 3.91Å; Y103-Y115 HydrophobicContact CD2-CE1 3.91Å; Y103-Y115 AromaticContact CD2-CE2 3.57Å; Y103-Y115 HydrophobicContact CD2-CE2 3.57Å; Y103-Y115 AromaticContact CD2-CG 3.68Å; Y103-Y115 HydrophobicContact CD2-CG 3.68Å; Y103-Y115 AromaticContact CD2-CZ 3.72Å; Y103-Y115 HydrophobicContact CE2-CD1 4.11Å; Y103-Y115 AromaticContact CE2-CD2 3.54Å; Y103-Y115 HydrophobicContact CE2-CD2 3.54Å; Y103-Y115 HydrophobicContact CE2-CE2 4.08Å; Y103-Y115 AromaticContact CE2-CG 3.55Å; Y103-Y115 HydrophobicContact CE2-CG 3.55Å
104D91.5Very high93.1Very high124 Ų12450.3 Ų50.366%0.66327%0.269SS*.  trans-10515.4178.3-159.527.4000113.5
105G91.8Very high93.1Very high25 Ų2550.5 Ų50.526%0.25827%0.27SS..SBendtrans-79.9-174.7-179.600000114.9Y103Y103-G105 VanDerWaalsContact CZ-CA 3.45Å
106A93.6Very high93.1Very high51 Ų5151.1 Ų51.142%0.42127%0.274SS..  trans-68.5141.6174.700000110.3Y103 T108 D111Y103-A106 WeakPolarHBondContact CE1-O 3.21Å; Y103-A106 PolarHBondContact OH-O 3.05Å; A106-T108 PolarHBondContact O-N 3.21Å; A106-T108 VanDerWaalsContact O-N 3.1Å; A106-D111 WeakPolarHBondContact CA-OD2 3.39Å; A106-D111 HydrophobicContact CB-CB 4.13Å; A106-D111 VanDerWaalsContact CB-OD2 3.32Å; A106-D111 WeakPolarHBondContact CB-OD2 3.5Å; A106-D111 PolarHBondContact N-OD2 3.4Å
107R92.1Very high93Very high98 Ų9853.8 Ų53.837%0.3729%0.286SS..  trans-87.439.2-178.5-68.9178.9178.270.30.9112.1F52 I55 P90F52-R107 HydrophobicContact CD2-CB 3.78Å; F52-R107 HydrophobicContact CD2-CG 4.45Å; F52-R107 HydrophobicContact CE2-CB 3.66Å; F52-R107 HydrophobicContact CE2-CG 4.2Å; F52-R107 WeakPolarHBondContact CE2-O 3.35Å; F52-R107 HydrophobicContact CZ-CB 4.46Å; I55-R107 WeakPolarHBondContact CD1-O 3.28Å; P90-R107 PolarHBondContact O-NE 3.43Å; P90-R107 PolarHBondContact O-NH2 3.08Å
108T94.9Very high93.2Very high68 Ų6851.9 Ų51.942%0.41728%0.282SS..SBendtrans-100.5155.1176.359.60000110.3A106 D110 D111 L112A106-T108 PolarHBondContact O-N 3.21Å; A106-T108 VanDerWaalsContact O-N 3.1Å; T108-D110 VanDerWaalsContact C-N 3.31Å; T108-D110 PolarHBondContact O-N 3.29Å; T108-D111 PolarHBondContact O-N 2.9Å; T108-D111 WeakPolarHBondContact OG1-CB 3.37Å; T108-D111 PolarHBondContact OG1-N 2.78Å; T108-L112 WeakPolarHBondContact O-CG 3.43Å; T108-L112 PolarHBondContact O-N 3.39Å
109L93.8Very high93.3Very high30 Ų3055.3 Ų55.316%0.15729%0.293CS..Hα-helixtrans-58.2-44.8179.6-178.865.1000111.6I55 Q58 L59 L112 R113I55-L109 HydrophobicContact CG2-CB 4.08Å; Q58-L109 HydrophobicContact CB-CD1 3.96Å; Q58-L109 HydrophobicContact CB-CD2 4.03Å; L59-L109 HydrophobicContact CB-CD1 3.92Å; L59-L109 HydrophobicContact CD1-CD1 4.01Å; L109-L112 PolarHBondContact O-N 3.01Å; L109-R113 WeakPolarHBondContact O-CB 3.37Å; L109-R113 PolarHBondContact O-N 3Å
110D95Very high93.4Very high99 Ų9955.3 Ų55.353%0.52929%0.29SS..Hα-helixtrans-67.7-38.5-176.5-61.2-51.6000112.6T108 R113 V114T108-D110 VanDerWaalsContact C-N 3.31Å; T108-D110 PolarHBondContact O-N 3.29Å; D110-R113 PolarHBondContact O-N 3.34Å; D110-R113 IonicContact OD1-CZ 2.73Å; D110-R113 IonicContact OD1-NH1 2.81Å; D110-R113 PolarHBondContact OD1-NH1 3.22Å; D110-V114 WeakPolarHBondContact O-CB 3.29Å; D110-V114 VanDerWaalsContact O-CG2 3.24Å; D110-V114 WeakPolarHBondContact O-CG2 3.33Å; D110-V114 PolarHBondContact O-N 3.04Å
111D95.3Very high93.3Very high38 Ų3855.3 Ų55.320%0.20329%0.29CS..Hα-helixtrans-69.5-40.1179.4-163.535.9000111.3Y103 A106 T108 R113 V114 Y115 K120Y103-D111 VanDerWaalsContact OH-CG 3.22Å; Y103-D111 PolarHBondContact OH-OD2 3.45Å; A106-D111 WeakPolarHBondContact CA-OD2 3.39Å; A106-D111 HydrophobicContact CB-CB 4.13Å; A106-D111 VanDerWaalsContact CB-OD2 3.32Å; A106-D111 WeakPolarHBondContact CB-OD2 3.5Å; A106-D111 PolarHBondContact N-OD2 3.4Å; T108-D111 PolarHBondContact O-N 2.9Å; T108-D111 WeakPolarHBondContact OG1-CB 3.37Å; T108-D111 PolarHBondContact OG1-N 2.78Å; D111-R113 VanDerWaalsContact C-N 3.35Å; D111-R113 PolarHBondContact O-N 3.31Å; D111-V114 PolarHBondContact O-N 3.43Å; D111-Y115 VanDerWaalsContact O-CB 3.26Å; D111-Y115 WeakPolarHBondContact O-CB 3.24Å; D111-Y115 PolarHBondContact O-N 2.8Å; D111-K120 IonicContact OD1-NZ 3.04Å
112L94.9Very high93.2Very high1 Ų160.1 Ų60.11%0.00531%0.314CS..Hα-helixtrans-61.9-42.2173.1-69.3166.3000111.8F52 I55 W56 L59 Y103 T108 L109 Y115 V116F52-L112 HydrophobicContact CE2-CD1 3.87Å; F52-L112 HydrophobicContact CZ-CD1 3.78Å; I55-L112 HydrophobicContact CG2-CD1 4.39Å; W56-L112 HydrophobicContact CE3-CD1 4.48Å; W56-L112 HydrophobicContact CZ3-CD1 4.45Å; L59-L112 HydrophobicContact CD1-CB 3.82Å; L59-L112 HydrophobicContact CD2-CB 4.14Å; L59-L112 HydrophobicContact CD2-CD1 4.1Å; Y103-L112 HydrophobicContact CD1-CD2 3.99Å; Y103-L112 HydrophobicContact CE1-CD2 3.54Å; Y103-L112 HydrophobicContact CE1-CG 4.42Å; Y103-L112 HydrophobicContact CE2-CD2 4.36Å; T108-L112 WeakPolarHBondContact O-CG 3.43Å; T108-L112 PolarHBondContact O-N 3.39Å; L109-L112 PolarHBondContact O-N 3.01Å; L112-Y115 WeakPolarHBondContact O-CB 3.35Å; L112-Y115 PolarHBondContact O-N 3.5Å; L112-V116 PolarHBondContact O-N 3.35Å
113R94.1Very high93Very high58 Ų5862.8 Ų62.822%0.21933%0.331CS..Hα-helixtrans-62.2-46.8175.6-176.4-170.7-66.2125.84.4111.5D62 I65 L109 D110 D111 Y115 V116 K117D62-R113 IonicContact OD2-CZ 3.89Å; D62-R113 IonicContact OD2-NE 2.79Å; D62-R113 PolarHBondContact OD2-NE 3.23Å; D62-R113 IonicContact OD2-NH2 3.18Å; D62-R113 PolarHBondContact OD2-NH2 3.17Å; I65-R113 HydrophobicContact CD1-CB 4.02Å; I65-R113 HydrophobicContact CD1-CG 3.97Å; I65-R113 HydrophobicContact CG1-CG 4.14Å; L109-R113 WeakPolarHBondContact O-CB 3.37Å; L109-R113 PolarHBondContact O-N 3Å; D110-R113 PolarHBondContact O-N 3.34Å; D110-R113 IonicContact OD1-CZ 2.73Å; D110-R113 IonicContact OD1-NH1 2.81Å; D110-R113 PolarHBondContact OD1-NH1 3.22Å; D111-R113 VanDerWaalsContact C-N 3.35Å; D111-R113 PolarHBondContact O-N 3.31Å; R113-Y115 VanDerWaalsContact C-N 3.32Å; R113-V116 PolarHBondContact O-N 3.19Å; R113-K117 HydrophobicContact CG-CD 3.91Å; R113-K117 HydrophobicContact CG-CG 4.38Å; R113-K117 WeakPolarHBondContact O-CB 3.24Å; R113-K117 WeakPolarHBondContact O-CG 3.5Å; R113-K117 PolarHBondContact O-N 2.68Å
114V94.4Very high92.8Very high59 Ų5964.8 Ų64.836%0.35834%0.341SS..Hα-helixtrans-65.8-37.9178.7171.50000110.7D110 D111 V116 K117 S118 K120D110-V114 WeakPolarHBondContact O-CB 3.29Å; D110-V114 VanDerWaalsContact O-CG2 3.24Å; D110-V114 WeakPolarHBondContact O-CG2 3.33Å; D110-V114 PolarHBondContact O-N 3.04Å; D111-V114 PolarHBondContact O-N 3.43Å; V114-V116 VanDerWaalsContact C-N 3.34Å; V114-V116 PolarHBondContact O-N 3.17Å; V114-K117 PolarHBondContact O-N 3.45Å; V114-S118 WeakPolarHBondContact O-CB 3.27Å; V114-S118 PolarHBondContact O-N 3.3Å; V114-S118 PolarHBondContact O-OG 3.16Å; V114-K120 HydrophobicContact CG1-CD 4.44Å
115Y94.5Very high92.7Very high4 Ų464.9 Ų64.92%0.01635%0.346CS..Hα-helixtrans-57.7-45.2177.7176.1-99.7000112.5H94 Y103 D111 L112 R113 E119 K120 Y121 E124H94-Y115 HydrophobicContact CB-CE1 3.94Å; Y103-Y115 AromaticContact CD2-CD1 3.89Å; Y103-Y115 HydrophobicContact CD2-CD1 3.89Å; Y103-Y115 AromaticContact CD2-CD2 3.54Å; Y103-Y115 HydrophobicContact CD2-CD2 3.54Å; Y103-Y115 AromaticContact CD2-CE1 3.91Å; Y103-Y115 HydrophobicContact CD2-CE1 3.91Å; Y103-Y115 AromaticContact CD2-CE2 3.57Å; Y103-Y115 HydrophobicContact CD2-CE2 3.57Å; Y103-Y115 AromaticContact CD2-CG 3.68Å; Y103-Y115 HydrophobicContact CD2-CG 3.68Å; Y103-Y115 AromaticContact CD2-CZ 3.72Å; Y103-Y115 HydrophobicContact CE2-CD1 4.11Å; Y103-Y115 AromaticContact CE2-CD2 3.54Å; Y103-Y115 HydrophobicContact CE2-CD2 3.54Å; Y103-Y115 HydrophobicContact CE2-CE2 4.08Å; Y103-Y115 AromaticContact CE2-CG 3.55Å; Y103-Y115 HydrophobicContact CE2-CG 3.55Å; D111-Y115 VanDerWaalsContact O-CB 3.26Å; D111-Y115 WeakPolarHBondContact O-CB 3.24Å; D111-Y115 PolarHBondContact O-N 2.8Å; L112-Y115 WeakPolarHBondContact O-CB 3.35Å; L112-Y115 PolarHBondContact O-N 3.5Å; R113-Y115 VanDerWaalsContact C-N 3.32Å; Y115-E119 PolarHBondContact O-N 2.98Å; Y115-K120 HydrophobicContact CD2-CB 3.69Å; Y115-K120 HydrophobicContact CE2-CB 4.23Å; Y115-K120 HydrophobicContact CG-CB 4.48Å; Y115-K120 PolarHBondContact O-N 3.04Å; Y115-Y121 HydrophobicContact CE1-CD1 4.37Å; Y115-Y121 VanDerWaalsContact CZ-CB 3.49Å; Y115-Y121 VanDerWaalsContact OH-CB 3.29Å; Y115-Y121 WeakPolarHBondContact OH-CB 3.34Å; Y115-E124 WeakPolarHBondContact CE2-OE1 3.33Å; Y115-E124 PolarHBondContact OH-OE2 3.26Å
116V93.7Very high92.7Very high13 Ų1366.5 Ų66.58%0.07935%0.352CS..Hα-helixtrans-74.1-49.8176.8-179.10000111.8L38 I65 V67 L112 R113 V114 S118 E119L38-V116 HydrophobicContact CD1-CG2 3.66Å; L38-V116 HydrophobicContact CD2-CG2 4.35Å; L38-V116 HydrophobicContact CG-CG2 4.25Å; I65-V116 HydrophobicContact CG2-CB 3.85Å; I65-V116 HydrophobicContact CG2-CG1 3.48Å; I65-V116 VanDerWaalsContact CG2-CG1 3.48Å; I65-V116 HydrophobicContact CG2-CG2 4.13Å; V67-V116 HydrophobicContact CG1-CG1 3.45Å; V67-V116 VanDerWaalsContact CG1-CG1 3.45Å; V67-V116 HydrophobicContact CG2-CG1 4.33Å; V67-V116 HydrophobicContact CG2-CG2 4.37Å; L112-V116 PolarHBondContact O-N 3.35Å; R113-V116 PolarHBondContact O-N 3.19Å; V114-V116 VanDerWaalsContact C-N 3.34Å; V114-V116 PolarHBondContact O-N 3.17Å; V116-S118 PolarHBondContact O-N 3.38Å; V116-E119 PolarHBondContact O-N 2.99Å
117K93.4Very high92.4Very high110 Ų11066.7 Ų66.748%0.47835%0.345SS..Hα-helixtrans-66.7-35.7-174.2-73.9-172.7-178.2-1780113.8S64 R113 V114 E119S64-K117 VanDerWaalsContact CB-NZ 3.3Å; S64-K117 VanDerWaalsContact O-CE 3.23Å; S64-K117 WeakPolarHBondContact O-CE 3.29Å; S64-K117 VanDerWaalsContact OG-CE 3.27Å; S64-K117 WeakPolarHBondContact OG-CE 3.42Å; S64-K117 PolarHBondContact OG-NZ 2.98Å; R113-K117 HydrophobicContact CG-CD 3.91Å; R113-K117 HydrophobicContact CG-CG 4.38Å; R113-K117 WeakPolarHBondContact O-CB 3.24Å; R113-K117 WeakPolarHBondContact O-CG 3.5Å; R113-K117 PolarHBondContact O-N 2.68Å; V114-K117 PolarHBondContact O-N 3.45Å; K117-E119 VanDerWaalsContact C-N 3.3Å
118S92.8Very high92.2Very high79 Ų7964.3 Ų64.355%0.55234%0.342SS*.THydrogen-bonded Turntrans-93.49178.8-56.70000112.5V114 V116 K120V114-S118 WeakPolarHBondContact O-CB 3.27Å; V114-S118 PolarHBondContact O-N 3.3Å; V114-S118 PolarHBondContact O-OG 3.16Å; V116-S118 PolarHBondContact O-N 3.38Å; S118-K120 PolarHBondContact O-N 3.42Å
119E91.4Very high91.6Very high87 Ų8769.7 Ų69.741%0.40736%0.355SS..THydrogen-bonded Turntrans48.836.9179-55.3-172.7137.400113Y115 V116 K117 Y121 E122Y115-E119 PolarHBondContact O-N 2.98Å; V116-E119 PolarHBondContact O-N 2.99Å; K117-E119 VanDerWaalsContact C-N 3.3Å; E119-Y121 HydrophobicContact CB-CE1 3.94Å; E119-Y121 HydrophobicContact CB-CE2 4.27Å; E119-Y121 HydrophobicContact CG-CE1 4.05Å; E119-Y121 WeakPolarHBondContact CG-OH 3.47Å; E119-Y121 PolarHBondContact O-N 3.19Å; E119-Y121 PolarHBondContact OE1-OH 3.19Å; E119-E122 HydrophobicContact CB-CG 4.24Å; E119-E122 WeakPolarHBondContact O-CB 3.11Å; E119-E122 WeakPolarHBondContact O-CG 3.32Å; E119-E122 PolarHBondContact O-N 3.49Å
120K92Very high91.1Very high84 Ų8473.8 Ų73.837%0.36537%0.37SS..G310 helixtrans-58.1-26.1-176.7-75.1-175.1177169.70112.1D111 V114 Y115 S118 E122 N123D111-K120 IonicContact OD1-NZ 3.04Å; V114-K120 HydrophobicContact CG1-CD 4.44Å; Y115-K120 HydrophobicContact CD2-CB 3.69Å; Y115-K120 HydrophobicContact CE2-CB 4.23Å; Y115-K120 HydrophobicContact CG-CB 4.48Å; Y115-K120 PolarHBondContact O-N 3.04Å; S118-K120 PolarHBondContact O-N 3.42Å; K120-E122 PolarHBondContact O-N 2.85Å; K120-E122 VanDerWaalsContact O-N 3.14Å; K120-N123 PolarHBondContact O-N 3.37Å
121Y90.2Very high90.6Very high3 Ų374 Ų741%0.01236%0.364CS..G310 helixtrans-57.1-19.1174.659-106000114H94 K96 R101 Y115 E119 N123 E124H94-Y121 AromaticContact CE1-CD1 3.52Å; H94-Y121 AromaticContact CE1-CD2 3.47Å; H94-Y121 VanDerWaalsContact CE1-CD2 3.47Å; H94-Y121 WeakPolarHBondContact CE1-CD2 3.45Å; H94-Y121 AromaticContact CE1-CE1 3.71Å; H94-Y121 AromaticContact CE1-CE2 3.68Å; H94-Y121 AromaticContact CE1-CG 3.39Å; H94-Y121 AromaticContact CE1-CZ 3.79Å; H94-Y121 AromaticContact ND1-CD2 3.93Å; H94-Y121 AromaticContact ND1-CG 3.67Å; H94-Y121 AromaticContact NE2-CD1 3.55Å; H94-Y121 AromaticContact NE2-CE1 3.57Å; H94-Y121 AromaticContact NE2-CG 3.92Å; H94-Y121 AromaticContact NE2-CZ 3.98Å; K96-Y121 HydrophobicContact CD-CE2 4.18Å; K96-Y121 PolarHBondContact NZ-OH 3.37Å; R101-Y121 WeakPolarHBondContact CD-O 3.48Å; R101-Y121 PolarHBondContact NE-O 3.14Å; R101-Y121 VanDerWaalsContact NE-O 3.1Å; Y115-Y121 HydrophobicContact CE1-CD1 4.37Å; Y115-Y121 VanDerWaalsContact CZ-CB 3.49Å; Y115-Y121 VanDerWaalsContact OH-CB 3.29Å; Y115-Y121 WeakPolarHBondContact OH-CB 3.34Å; E119-Y121 HydrophobicContact CB-CE1 3.94Å; E119-Y121 HydrophobicContact CB-CE2 4.27Å; E119-Y121 HydrophobicContact CG-CE1 4.05Å; E119-Y121 WeakPolarHBondContact CG-OH 3.47Å; E119-Y121 PolarHBondContact O-N 3.19Å; E119-Y121 PolarHBondContact OE1-OH 3.19Å; Y121-N123 PolarHBondContact O-N 3.35Å; Y121-E124 PolarHBondContact O-N 2.98Å
122E90.4Very high90Very high130 Ų13072.8 Ų72.861%0.60736%0.358SS*.G310 helixtrans-65.5-28.8176.5-68.4-166155.100113.2E119 K120 E124E119-E122 HydrophobicContact CB-CG 4.24Å; E119-E122 WeakPolarHBondContact O-CB 3.11Å; E119-E122 WeakPolarHBondContact O-CG 3.32Å; E119-E122 PolarHBondContact O-N 3.49Å; K120-E122 PolarHBondContact O-N 2.85Å; K120-E122 VanDerWaalsContact O-N 3.14Å; E122-E124 VanDerWaalsContact C-N 3.31Å
123N89.9Confident89.2Confident148 Ų14873 Ų7379%0.79136%0.359SS*.G310 helixtrans-82.1-12.1177.5-62.4-56.4000112.8K120 Y121K120-N123 PolarHBondContact O-N 3.37Å; Y121-N123 PolarHBondContact O-N 3.35Å
124E90Very high88.6Confident52 Ų5271.6 Ų71.624%0.24336%0.36CS..SBendtrans-87.5130.6179.8-67.9177.4175.200110.4Y115 Y121 E122 P126Y115-E124 WeakPolarHBondContact CE2-OE1 3.33Å; Y115-E124 PolarHBondContact OH-OE2 3.26Å; Y121-E124 PolarHBondContact O-N 2.98Å; E122-E124 VanDerWaalsContact C-N 3.31Å; E124-P126 WeakPolarHBondContact O-CD 3.19Å
125T89.4Confident88.3Confident126 Ų12669.9 Ų69.977%0.77335%0.351SS*.PPolyproline II helixtrans-65.9124.3176.753.60000109.6
126P90.4Very high88Confident59 Ų5978.5 Ų78.538%0.38339%0.385SS..PPolyproline II helixtrans-66.4153175.229.3-34.6000110.9L99 F100 R101 E124L99-P126 HydrophobicContact CB-CB 4.5Å; F100-P126 CarbonylContact O-C 3.59Å; F100-P126 WeakPolarHBondContact O-CA 2.91Å; R101-P126 HydrophobicContact CG-CB 4.25Å; E124-P126 WeakPolarHBondContact O-CD 3.19Å
127L88.1Confident87.7Confident54 Ų5481.4 Ų81.428%0.28340%0.397SS..PPolyproline II helixtrans-52.8130.6167.1-84.2141.1000109Y93 F100Y93-L127 HydrophobicContact CD1-CD1 4.09Å; Y93-L127 HydrophobicContact CE1-CD1 3.72Å; F100-L127 HydrophobicContact CB-CB 4.2Å; F100-L127 HydrophobicContact CB-CD1 3.35Å; F100-L127 HydrophobicContact CB-CG 4.38Å; F100-L127 HydrophobicContact CG-CD1 4.48Å; F100-L127 PolarHBondContact O-N 3.33Å
128P87.3Confident87.4Confident48 Ų4876.8 Ų76.831%0.31238%0.378SS..PPolyproline II helixtrans-69.2153.8-174.832.4-37.3000110.2Y130 Y131 S132P128-Y130 HydrophobicContact CB-CD1 3.79Å; P128-Y130 HydrophobicContact CB-CE1 3.37Å; P128-Y130 HydrophobicContact CG-CD1 4.05Å; P128-Y130 HydrophobicContact CG-CE1 3.44Å; P128-Y130 VanDerWaalsContact CG-CE1 3.44Å; P128-Y130 HydrophobicContact CG-CE2 4.21Å; P128-Y130 PolarHBondContact O-N 3.44Å; P128-Y131 HydrophobicContact CG-CD2 3.53Å; P128-Y131 HydrophobicContact CG-CE2 4.3Å; P128-Y131 HydrophobicContact CG-CG 4.42Å; P128-Y131 PolarHBondContact O-N 2.83Å; P128-S132 PolarHBondContact O-N 3.28Å
129W83.5Confident87.2Confident182 Ų18278.3 Ų78.369%0.68937%0.371SS*.THydrogen-bonded Turntrans-55.7-30.9-172.470.3-92.3000113.8Y131 S132 S135 H137W129-Y131 VanDerWaalsContact C-N 3.26Å; W129-Y131 PolarHBondContact O-N 3.42Å; W129-S132 PolarHBondContact O-N 2.89Å; W129-S135 PolarHBondContact O-OG 3.37Å; W129-H137 AromaticContact CE3-CE1 3.95Å; W129-H137 AromaticContact CZ3-CE1 3.69Å
130Y82.8Confident87.2Confident116 Ų11678.5 Ų78.546%0.45537%0.374SS..THydrogen-bonded Turntrans-74.4-14.6179.865-92.3000113.4P128 H137P128-Y130 HydrophobicContact CB-CD1 3.79Å; P128-Y130 HydrophobicContact CB-CE1 3.37Å; P128-Y130 HydrophobicContact CG-CD1 4.05Å; P128-Y130 HydrophobicContact CG-CE1 3.44Å; P128-Y130 VanDerWaalsContact CG-CE1 3.44Å; P128-Y130 HydrophobicContact CG-CE2 4.21Å; P128-Y130 PolarHBondContact O-N 3.44Å; Y130-H137 PolarHBondContact O-NE2 3.28Å
131Y83.5Confident87.1Confident104 Ų10478 Ų7841%0.40837%0.372SS..THydrogen-bonded Turntrans-99.6-11.8169-74.6-58.5000113.4F85 P128 W129F85-Y131 HydrophobicContact CE2-CD1 4.01Å; F85-Y131 HydrophobicContact CE2-CE1 4.08Å; P128-Y131 HydrophobicContact CG-CD2 3.53Å; P128-Y131 HydrophobicContact CG-CE2 4.3Å; P128-Y131 HydrophobicContact CG-CG 4.42Å; P128-Y131 PolarHBondContact O-N 2.83Å; W129-Y131 VanDerWaalsContact C-N 3.26Å; W129-Y131 PolarHBondContact O-N 3.42Å
132S83.4Confident87.1Confident12 Ų1278.6 Ų78.68%0.08438%0.375CS..  trans-65130.1-176.6177.60000111.9P128 W129 A134 S135 M138P128-S132 PolarHBondContact O-N 3.28Å; W129-S132 PolarHBondContact O-N 2.89Å; S132-A134 PolarHBondContact O-N 2.97Å; S132-A134 VanDerWaalsContact O-N 3.13Å; S132-A134 PolarHBondContact OG-N 3.45Å; S132-S135 WeakPolarHBondContact O-CB 3.32Å; S132-S135 PolarHBondContact O-N 2.71Å; S132-S135 VanDerWaalsContact O-N 3.13Å; S132-S135 PolarHBondContact O-OG 2.95Å; S132-M138 VanDerWaalsContact O-CB 3.31Å; S132-M138 WeakPolarHBondContact O-CB 3.37Å
133P78.4Confident87.1Confident4 Ų480.7 Ų80.73%0.02638%0.378CS..THydrogen-bonded Turntrans-61-21.1176.327.1-37.3000113.3W29 I83 F84 F100 S135W29-P133 HydrophobicContact CH2-CB 3.83Å; W29-P133 HydrophobicContact CZ3-CB 3.82Å; W29-P133 HydrophobicContact CZ3-CG 4.14Å; I83-P133 HydrophobicContact CG2-CB 3.76Å; F84-P133 HydrophobicContact CE1-CG 4.48Å; F84-P133 HydrophobicContact CE2-CB 4.45Å; F84-P133 HydrophobicContact CE2-CG 3.99Å; F84-P133 HydrophobicContact CZ-CG 3.74Å; F100-P133 HydrophobicContact CD2-CG 4.3Å; F100-P133 HydrophobicContact CE1-CG 4.17Å; F100-P133 VanDerWaalsContact CE2-CD 3.49Å; F100-P133 HydrophobicContact CE2-CG 3.51Å; F100-P133 HydrophobicContact CZ-CG 3.41Å; F100-P133 VanDerWaalsContact CZ-CG 3.41Å; P133-S135 VanDerWaalsContact C-N 3.29Å; P133-S135 PolarHBondContact O-N 3.44Å
134A80.7Confident87.1Confident30 Ų3080.2 Ų80.225%0.24837%0.369CS..THydrogen-bonded Turntrans-73.3-21.7179.600000113.1L33 S132 R139L33-A134 HydrophobicContact CD1-CB 4.23Å; L33-A134 HydrophobicContact CD2-CB 3.9Å; S132-A134 PolarHBondContact O-N 2.97Å; S132-A134 VanDerWaalsContact O-N 3.13Å; S132-A134 PolarHBondContact OG-N 3.45Å; A134-R139 PolarHBondContact O-NE 3.29Å; A134-R139 PolarHBondContact O-NH2 2.98Å
135S87.6Confident87.2Confident23 Ų2380.2 Ų80.216%0.16137%0.369CS..SBendtrans-67.9151.5-173.5-640000113.3W129 S132 P133 H137 M138 R139W129-S135 PolarHBondContact O-OG 3.37Å; S132-S135 WeakPolarHBondContact O-CB 3.32Å; S132-S135 PolarHBondContact O-N 2.71Å; S132-S135 VanDerWaalsContact O-N 3.13Å; S132-S135 PolarHBondContact O-OG 2.95Å; P133-S135 VanDerWaalsContact C-N 3.29Å; P133-S135 PolarHBondContact O-N 3.44Å; S135-H137 WeakPolarHBondContact CB-CE1 3.37Å; S135-H137 PolarHBondContact O-N 2.83Å; S135-M138 PolarHBondContact O-N 2.8Å; S135-R139 WeakPolarHBondContact O-CG 3.4Å; S135-R139 PolarHBondContact O-N 2.89Å
136Y88.2Confident87.2Confident184 Ų18476.9 Ų76.972%0.72235%0.347SS*.Hα-helixtrans-59.1-48.2-175.9175.4-101.5000113M138 R139 I140Y136-M138 VanDerWaalsContact C-N 3.3Å; Y136-M138 PolarHBondContact O-N 3.28Å; Y136-R139 WeakPolarHBondContact O-CB 3.43Å; Y136-R139 PolarHBondContact O-N 3.24Å; Y136-I140 HydrophobicContact CD1-CD1 3.91Å; Y136-I140 HydrophobicContact CE1-CD1 3.31Å; Y136-I140 HydrophobicContact CE1-CG1 4.48Å; Y136-I140 HydrophobicContact CE2-CD1 4.24Å; Y136-I140 PolarHBondContact O-N 3.13Å
137H88.3Confident87.3Confident75 Ų7578.7 Ų78.735%0.34735%0.353SS..Hα-helixtrans-64.1-38178.459.7-77.5000111.6W129 Y130 S135 R139 I140 F141W129-H137 AromaticContact CE3-CE1 3.95Å; W129-H137 AromaticContact CZ3-CE1 3.69Å; Y130-H137 PolarHBondContact O-NE2 3.28Å; S135-H137 WeakPolarHBondContact CB-CE1 3.37Å; S135-H137 PolarHBondContact O-N 2.83Å; H137-R139 PolarHBondContact O-N 2.99Å; H137-I140 PolarHBondContact O-N 3.13Å; H137-F141 PolarHBondContact O-N 3.39Å
138M87.8Confident87.5Confident13 Ų1377.8 Ų77.86%0.06436%0.356CS..Hα-helixtrans-65-42.6178.3-158.656.5149.300110.5I83 S132 S135 Y136 I140 F141 I142I83-M138 HydrophobicContact CB-CE 4Å; I83-M138 HydrophobicContact CG1-CE 4.08Å; I83-M138 HydrophobicContact CG2-CE 3.48Å; I83-M138 VanDerWaalsContact CG2-CE 3.48Å; I83-M138 HydrophobicContact CG2-CG 4.28Å; S132-M138 VanDerWaalsContact O-CB 3.31Å; S132-M138 WeakPolarHBondContact O-CB 3.37Å; S135-M138 PolarHBondContact O-N 2.8Å; Y136-M138 VanDerWaalsContact C-N 3.3Å; Y136-M138 PolarHBondContact O-N 3.28Å; M138-I140 VanDerWaalsContact C-N 3.33Å; M138-I140 PolarHBondContact O-N 3.42Å; M138-F141 CarbonylContact O-C 3.53Å; M138-F141 WeakPolarHBondContact O-CA 3.37Å; M138-F141 VanDerWaalsContact O-CB 3.3Å; M138-F141 WeakPolarHBondContact O-CB 3.43Å; M138-F141 PolarHBondContact O-N 3.47Å; M138-F141 HydrophobicContact SD-CB 4.4Å; M138-F141 HydrophobicContact SD-CD1 3.91Å; M138-I142 WeakPolarHBondContact O-CG1 3.36Å; M138-I142 PolarHBondContact O-N 3.29Å
139R87.4Confident87.7Confident110 Ų11078.3 Ų78.342%0.41536%0.356SS..Hα-helixtrans-56.3-43.2174.9-69.4171.4-174.5-118.4-3113.1A134 S135 Y136 H137 F141 I142 R143A134-R139 PolarHBondContact O-NE 3.29Å; A134-R139 PolarHBondContact O-NH2 2.98Å; S135-R139 WeakPolarHBondContact O-CG 3.4Å; S135-R139 PolarHBondContact O-N 2.89Å; Y136-R139 WeakPolarHBondContact O-CB 3.43Å; Y136-R139 PolarHBondContact O-N 3.24Å; H137-R139 PolarHBondContact O-N 2.99Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-I142 PolarHBondContact O-N 2.88Å; R139-R143 WeakPolarHBondContact O-CG 3.41Å; R139-R143 PolarHBondContact O-N 3.44Å
140I91.4Very high88.2Confident91 Ų9175.8 Ų75.847%0.46735%0.35SS..Hα-helixtrans-61.6-45.8174.7-67.7164000109.7Y136 H137 M138 I142 R143 F144Y136-I140 HydrophobicContact CD1-CD1 3.91Å; Y136-I140 HydrophobicContact CE1-CD1 3.31Å; Y136-I140 HydrophobicContact CE1-CG1 4.48Å; Y136-I140 HydrophobicContact CE2-CD1 4.24Å; Y136-I140 PolarHBondContact O-N 3.13Å; H137-I140 PolarHBondContact O-N 3.13Å; M138-I140 VanDerWaalsContact C-N 3.33Å; M138-I140 PolarHBondContact O-N 3.42Å; I140-I142 PolarHBondContact O-N 3.12Å; I140-R143 PolarHBondContact O-N 2.92Å; I140-F144 PolarHBondContact O-N 3.28Å
141F91.1Very high88.6Confident74 Ų7473 Ų7333%0.32534%0.343SS..Hα-helixtrans-61.3-40.4177.8-176.9-104000112.9F82 H137 M138 R139 R143 F144 M145F82-F141 HydrophobicContact CD1-CE1 4.1Å; F82-F141 HydrophobicContact CD1-CZ 4.48Å; F82-F141 AromaticContact CE1-CE1 3.72Å; F82-F141 HydrophobicContact CE1-CE1 3.72Å; F82-F141 AromaticContact CE1-CZ 3.74Å; F82-F141 HydrophobicContact CE1-CZ 3.74Å; H137-F141 PolarHBondContact O-N 3.39Å; M138-F141 CarbonylContact O-C 3.53Å; M138-F141 WeakPolarHBondContact O-CA 3.37Å; M138-F141 VanDerWaalsContact O-CB 3.3Å; M138-F141 WeakPolarHBondContact O-CB 3.43Å; M138-F141 PolarHBondContact O-N 3.47Å; M138-F141 HydrophobicContact SD-CB 4.4Å; M138-F141 HydrophobicContact SD-CD1 3.91Å; R139-F141 VanDerWaalsContact C-N 3.32Å; F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 3.4Å; F141-F144 WeakPolarHBondContact O-CB 3.44Å; F141-F144 PolarHBondContact O-N 2.91Å; F141-M145 HydrophobicContact CE1-CE 4.14Å; F141-M145 HydrophobicContact CE1-CG 4.09Å; F141-M145 HydrophobicContact CE1-SD 3.75Å; F141-M145 HydrophobicContact CE2-CE 4.41Å; F141-M145 HydrophobicContact CE2-CG 4.46Å; F141-M145 HydrophobicContact CZ-CE 3.61Å; F141-M145 HydrophobicContact CZ-CG 4.06Å; F141-M145 HydrophobicContact CZ-SD 3.84Å; F141-M145 PolarHBondContact O-N 3.46Å
142I88.7Confident89Confident15 Ų1572.4 Ų72.48%0.07735%0.35CS..Hα-helixtrans-56.3-49.7173.3-48.9-161.9000109.8W29 V79 I83 M138 R139 I140 F144 M145 D146W29-I142 HydrophobicContact CH2-CD1 4.22Å; W29-I142 HydrophobicContact CZ2-CD1 3.69Å; V79-I142 HydrophobicContact CG1-CG2 3.81Å; I83-I142 HydrophobicContact CD1-CB 4.1Å; I83-I142 HydrophobicContact CD1-CD1 3.45Å; I83-I142 VanDerWaalsContact CD1-CD1 3.45Å; I83-I142 HydrophobicContact CD1-CG1 3.38Å; I83-I142 HydrophobicContact CD1-CG2 4.03Å; I83-I142 HydrophobicContact CG1-CG1 4.36Å; M138-I142 WeakPolarHBondContact O-CG1 3.36Å; M138-I142 PolarHBondContact O-N 3.29Å; R139-I142 PolarHBondContact O-N 2.88Å; I140-I142 PolarHBondContact O-N 3.12Å; I142-F144 VanDerWaalsContact C-N 3.28Å; I142-F144 PolarHBondContact O-N 2.95Å; I142-M145 PolarHBondContact O-N 3.01Å; I142-M145 VanDerWaalsContact O-N 3.14Å; I142-D146 PolarHBondContact O-N 3.28Å
143R90.1Very high89.4Confident174 Ų17476.5 Ų76.566%0.65737%0.371SS*.Hα-helixtrans-64.4-33.5-179-65.5-54.5-170.691.6-2.6112.8R139 I140 F141 L147R139-R143 WeakPolarHBondContact O-CG 3.41Å; R139-R143 PolarHBondContact O-N 3.44Å; I140-R143 PolarHBondContact O-N 2.92Å; F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 3.4Å; R143-L147 WeakPolarHBondContact O-CB 3.26Å; R143-L147 PolarHBondContact O-N 3.15Å
144F91.8Very high90.1Very high139 Ų13978.9 Ų78.961%0.6139%0.385SS*.Hα-helixtrans-66.5-41.8173.6175.3-98.4000111.9I140 F141 I142 L147 G148I140-F144 PolarHBondContact O-N 3.28Å; F141-F144 WeakPolarHBondContact O-CB 3.44Å; F141-F144 PolarHBondContact O-N 2.91Å; I142-F144 VanDerWaalsContact C-N 3.28Å; I142-F144 PolarHBondContact O-N 2.95Å; F144-L147 WeakPolarHBondContact O-CB 3.27Å; F144-L147 PolarHBondContact O-N 3.27Å; F144-G148 PolarHBondContact O-N 3.35Å
145M90.8Very high90.7Very high51 Ų5179.2 Ų79.225%0.25138%0.382SS..Hα-helixtrans-67.1-41.1175-69.9-150.7135.900112.6V79 F82 F141 I142 L147 G148 I149V79-M145 HydrophobicContact CG1-CB 3.96Å; V79-M145 HydrophobicContact CG2-CB 4.33Å; F82-M145 HydrophobicContact CD1-CE 3.65Å; F82-M145 HydrophobicContact CD1-SD 3.35Å; F82-M145 WeakPolarHBondContact CD1-SD 3.47Å; F82-M145 HydrophobicContact CE1-CE 3.37Å; F82-M145 HydrophobicContact CE1-SD 3.68Å; F82-M145 HydrophobicContact CE2-CE 4.38Å; F82-M145 HydrophobicContact CG-CE 4.29Å; F82-M145 HydrophobicContact CG-SD 4.06Å; F82-M145 HydrophobicContact CZ-CE 3.77Å; F141-M145 HydrophobicContact CE1-CE 4.14Å; F141-M145 HydrophobicContact CE1-CG 4.09Å; F141-M145 HydrophobicContact CE1-SD 3.75Å; F141-M145 HydrophobicContact CE2-CE 4.41Å; F141-M145 HydrophobicContact CE2-CG 4.46Å; F141-M145 HydrophobicContact CZ-CE 3.61Å; F141-M145 HydrophobicContact CZ-CG 4.06Å; F141-M145 HydrophobicContact CZ-SD 3.84Å; F141-M145 PolarHBondContact O-N 3.46Å; I142-M145 PolarHBondContact O-N 3.01Å; I142-M145 VanDerWaalsContact O-N 3.14Å; M145-L147 VanDerWaalsContact C-N 3.25Å; M145-L147 PolarHBondContact O-N 2.91Å; M145-G148 PolarHBondContact O-N 3.37Å; M145-G148 VanDerWaalsContact O-N 3.08Å; M145-I149 PolarHBondContact O-N 3.34Å
146D90.5Very high90.9Very high57 Ų5782.8 Ų82.831%0.30540%0.396SS..Hα-helixtrans-58-40.4172.8-71.3-30.4000111.2I142 I149 F150I142-D146 PolarHBondContact O-N 3.28Å; D146-I149 PolarHBondContact O-N 3.15Å; D146-F150 VanDerWaalsContact O-CB 3.32Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 3.44Å
147L92.6Very high91.2Very high96 Ų9676.7 Ų76.750%0.50338%0.383SS..Hα-helixtrans-62.5-41.2174.6179.163.8000111.7R143 F144 M145 F150 I151R143-L147 WeakPolarHBondContact O-CB 3.26Å; R143-L147 PolarHBondContact O-N 3.15Å; F144-L147 WeakPolarHBondContact O-CB 3.27Å; F144-L147 PolarHBondContact O-N 3.27Å; M145-L147 VanDerWaalsContact C-N 3.25Å; M145-L147 PolarHBondContact O-N 2.91Å; L147-F150 HydrophobicContact CD1-CD1 4.31Å; L147-F150 WeakPolarHBondContact O-CB 3.26Å; L147-F150 PolarHBondContact O-N 2.93Å; L147-I151 HydrophobicContact CG-CD1 4.42Å; L147-I151 VanDerWaalsContact O-CG1 3.32Å; L147-I151 WeakPolarHBondContact O-CG1 3.32Å; L147-I151 PolarHBondContact O-N 3.39Å
148G92.3Very high91.4Very high35 Ų3575 Ų7536%0.36138%0.375SS..Hα-helixtrans-61.2-44.2174.800000112.9F144 M145 F150 I151 T152F144-G148 PolarHBondContact O-N 3.35Å; M145-G148 PolarHBondContact O-N 3.37Å; M145-G148 VanDerWaalsContact O-N 3.08Å; G148-F150 VanDerWaalsContact C-N 3.35Å; G148-I151 PolarHBondContact O-N 2.85Å; G148-T152 PolarHBondContact O-N 2.87Å; G148-T152 PolarHBondContact O-OG1 2.82Å
149I91.1Very high91.6Very high60 Ų6076.5 Ų76.531%0.30838%0.383SS..Hα-helixtrans-65-41.5174.7-67.8177.6000110.8P78 V79 M145 D146 I151 T152 N153P78-I149 HydrophobicContact CG-CD1 4.06Å; V79-I149 HydrophobicContact CG2-CD1 3.23Å; V79-I149 HydrophobicContact CG2-CG1 4.44Å; M145-I149 PolarHBondContact O-N 3.34Å; D146-I149 PolarHBondContact O-N 3.15Å; I149-I151 VanDerWaalsContact C-N 3.29Å; I149-I151 PolarHBondContact O-N 3.24Å; I149-T152 PolarHBondContact O-N 3.06Å; I149-N153 WeakPolarHBondContact O-CB 3.5Å; I149-N153 PolarHBondContact O-N 3.42Å; I149-N153 PolarHBondContact O-OD1 3.32Å
150F93Very high91.8Very high129 Ų12977 Ų7757%0.56639%0.394SS*.Hα-helixtrans-58.6-40.3176.1173.8-99.6000112.2D146 L147 G148 N153 T154D146-F150 VanDerWaalsContact O-CB 3.32Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 3.44Å; L147-F150 HydrophobicContact CD1-CD1 4.31Å; L147-F150 WeakPolarHBondContact O-CB 3.26Å; L147-F150 PolarHBondContact O-N 2.93Å; G148-F150 VanDerWaalsContact C-N 3.35Å; F150-N153 PolarHBondContact O-N 3.1Å; F150-T154 WeakPolarHBondContact CZ-OG1 3.3Å; F150-T154 VanDerWaalsContact O-CB 3.29Å; F150-T154 WeakPolarHBondContact O-CB 3.4Å; F150-T154 PolarHBondContact O-N 2.95Å; F150-T154 PolarHBondContact O-OG1 3.21Å
151I92.6Very high91.8Very high57 Ų5775.9 Ų75.929%0.29240%0.399SS..Hα-helixtrans-60.7-47.6175.5-69163.1000110.9L147 G148 I149 T154 H155 I172 T176L147-I151 HydrophobicContact CG-CD1 4.42Å; L147-I151 VanDerWaalsContact O-CG1 3.32Å; L147-I151 WeakPolarHBondContact O-CG1 3.32Å; L147-I151 PolarHBondContact O-N 3.39Å; G148-I151 PolarHBondContact O-N 2.85Å; I149-I151 VanDerWaalsContact C-N 3.29Å; I149-I151 PolarHBondContact O-N 3.24Å; I151-T154 PolarHBondContact O-N 3.29Å; I151-H155 PolarHBondContact O-N 3.38Å; I151-I172 HydrophobicContact CG2-CD1 4.31Å; I151-I172 HydrophobicContact CG2-CG2 3.54Å; I151-T176 HydrophobicContact CD1-CG2 4.44Å
152T91.2Very high91.8Very high91 Ų9175.6 Ų75.656%0.55842%0.417SS*.Hα-helixtrans-64.2-42.7178.6-560000111.7G148 I149 T154 H155 Q156G148-T152 PolarHBondContact O-N 2.87Å; G148-T152 PolarHBondContact O-OG1 2.82Å; I149-T152 PolarHBondContact O-N 3.06Å; T152-T154 VanDerWaalsContact C-N 3.3Å; T152-T154 PolarHBondContact O-N 3.02Å; T152-H155 WeakPolarHBondContact O-CB 3.42Å; T152-H155 PolarHBondContact O-N 3.2Å; T152-Q156 PolarHBondContact O-N 3.16Å
153N92.5Very high92Very high98 Ų9881.1 Ų81.152%0.52444%0.438SS..Hα-helixtrans-64.2-37.7176.4-68.4-6.3000111.5I149 F150 Q156 A157I149-N153 WeakPolarHBondContact O-CB 3.5Å; I149-N153 PolarHBondContact O-N 3.42Å; I149-N153 PolarHBondContact O-OD1 3.32Å; F150-N153 PolarHBondContact O-N 3.1Å; N153-Q156 PolarHBondContact O-N 3.38Å; N153-A157 VanDerWaalsContact O-CB 3.24Å; N153-A157 WeakPolarHBondContact O-CB 3.12Å; N153-A157 PolarHBondContact O-N 2.93Å
154T92.6Very high92.1Very high54 Ų5476.6 Ų76.633%0.33143%0.433SS..Hα-helixtrans-66.5-42.9175.7-58.70000111F150 I151 T152 A157 F158F150-T154 WeakPolarHBondContact CZ-OG1 3.3Å; F150-T154 VanDerWaalsContact O-CB 3.29Å; F150-T154 WeakPolarHBondContact O-CB 3.4Å; F150-T154 PolarHBondContact O-N 2.95Å; F150-T154 PolarHBondContact O-OG1 3.21Å; I151-T154 PolarHBondContact O-N 3.29Å; T152-T154 VanDerWaalsContact C-N 3.3Å; T152-T154 PolarHBondContact O-N 3.02Å; T154-A157 PolarHBondContact O-N 2.89Å; T154-F158 WeakPolarHBondContact O-CB 3.45Å; T154-F158 PolarHBondContact O-N 3.34Å
155H93Very high92.1Very high37 Ų3774.3 Ų74.317%0.17143%0.427CS..Hα-helixtrans-58.1-50.6173.8177.374.7000110.6I151 T152 A157 F158 L159 S168 F169 I172I151-H155 PolarHBondContact O-N 3.38Å; T152-H155 WeakPolarHBondContact O-CB 3.42Å; T152-H155 PolarHBondContact O-N 3.2Å; H155-A157 PolarHBondContact O-N 3.27Å; H155-F158 WeakPolarHBondContact O-CB 3.23Å; H155-F158 PolarHBondContact O-N 3.06Å; H155-L159 WeakPolarHBondContact O-CG 3.2Å; H155-L159 PolarHBondContact O-N 2.97Å; H155-S168 PolarHBondContact CE1-OG 3.14Å; H155-S168 WeakPolarHBondContact ND1-CB 3.47Å; H155-S168 PolarHBondContact ND1-OG 3.37Å; H155-F169 AromaticContact CE1-CE1 3.55Å; H155-F169 AromaticContact CE1-CZ 3.56Å; H155-I172 HydrophobicContact CB-CD1 3.69Å
156Q92.8Very high92.3Very high98 Ų9880 Ų8046%0.45845%0.446SS..Hα-helixtrans-61.5-46179.5-170.763.418.800111.9T152 N153 F158 L159 D160T152-Q156 PolarHBondContact O-N 3.16Å; N153-Q156 PolarHBondContact O-N 3.38Å; Q156-F158 VanDerWaalsContact C-N 3.25Å; Q156-F158 PolarHBondContact O-N 2.58Å; Q156-L159 PolarHBondContact O-N 2.78Å; Q156-L159 VanDerWaalsContact O-N 3.12Å; Q156-D160 VanDerWaalsContact O-CG 3.25Å; Q156-D160 PolarHBondContact O-N 3.33Å
157A92.9Very high92.3Very high56 Ų5681.5 Ų81.546%0.46345%0.451SS..Hα-helixtrans-61.1-34.217700000112.6N153 T154 H155 A161N153-A157 VanDerWaalsContact O-CB 3.24Å; N153-A157 WeakPolarHBondContact O-CB 3.12Å; N153-A157 PolarHBondContact O-N 2.93Å; T154-A157 PolarHBondContact O-N 2.89Å; H155-A157 PolarHBondContact O-N 3.27Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 2.9Å
158F93.5Very high92.3Very high40 Ų4077 Ų7718%0.17543%0.428CS..Hα-helixtrans-70.9-37.2176.2-161.5-100.7000112T154 H155 Q156 A161 Y163 M167 S168 I171T154-F158 WeakPolarHBondContact O-CB 3.45Å; T154-F158 PolarHBondContact O-N 3.34Å; H155-F158 WeakPolarHBondContact O-CB 3.23Å; H155-F158 PolarHBondContact O-N 3.06Å; Q156-F158 VanDerWaalsContact C-N 3.25Å; Q156-F158 PolarHBondContact O-N 2.58Å; F158-A161 PolarHBondContact O-N 3.41Å; F158-Y163 AromaticContact CD1-CD2 3.84Å; F158-Y163 HydrophobicContact CD1-CD2 3.84Å; F158-Y163 AromaticContact CD1-CG 3.77Å; F158-Y163 HydrophobicContact CD1-CG 3.77Å; F158-Y163 AromaticContact CD2-CD2 3.51Å; F158-Y163 HydrophobicContact CD2-CD2 3.51Å; F158-Y163 AromaticContact CD2-CE2 3.89Å; F158-Y163 HydrophobicContact CD2-CE2 3.89Å; F158-Y163 HydrophobicContact CD2-CG 4.12Å; F158-Y163 AromaticContact CE1-CD1 3.98Å; F158-Y163 HydrophobicContact CE1-CD1 3.98Å; F158-Y163 AromaticContact CE1-CD2 3.79Å; F158-Y163 HydrophobicContact CE1-CD2 3.79Å; F158-Y163 AromaticContact CE1-CG 3.36Å; F158-Y163 HydrophobicContact CE1-CG 3.36Å; F158-Y163 HydrophobicContact CE2-CD1 4.13Å; F158-Y163 AromaticContact CE2-CD2 3.38Å; F158-Y163 HydrophobicContact CE2-CD2 3.38Å; F158-Y163 HydrophobicContact CE2-CE1 4.3Å; F158-Y163 AromaticContact CE2-CE2 3.58Å; F158-Y163 HydrophobicContact CE2-CE2 3.58Å; F158-Y163 AromaticContact CE2-CG 3.69Å; F158-Y163 HydrophobicContact CE2-CG 3.69Å; F158-Y163 AromaticContact CG-CD2 3.75Å; F158-Y163 HydrophobicContact CG-CD2 3.75Å; F158-Y163 HydrophobicContact CG-CG 4.17Å; F158-Y163 AromaticContact CZ-CD1 3.59Å; F158-Y163 HydrophobicContact CZ-CD1 3.59Å; F158-Y163 AromaticContact CZ-CD2 3.54Å; F158-Y163 HydrophobicContact CZ-CD2 3.54Å; F158-Y163 HydrophobicContact CZ-CE1 4.1Å; F158-Y163 HydrophobicContact CZ-CE2 4.06Å; F158-Y163 AromaticContact CZ-CG 3.29Å; F158-Y163 HydrophobicContact CZ-CG 3.29Å; F158-Y163 WeakPolarHBondContact O-CB 3.49Å; F158-Y163 WeakPolarHBondContact O-CD2 3.49Å; F158-Y163 PolarHBondContact O-N 2.57Å; F158-M167 HydrophobicContact CE1-CB 3.69Å; F158-M167 HydrophobicContact CZ-CB 4.18Å; F158-S168 VanDerWaalsContact CD1-CB 3.46Å; F158-I171 HydrophobicContact CE1-CD1 4.32Å; F158-I171 HydrophobicContact CE2-CD1 3.85Å; F158-I171 HydrophobicContact CZ-CD1 3.54Å
159L92.3Very high92.4Very high44 Ų4481.3 Ų81.323%0.2344%0.437CS..Hα-helixtrans-67-42.3172.6-62.6-176.3000111.6H155 Q156 A161 G162 N165H155-L159 WeakPolarHBondContact O-CG 3.2Å; H155-L159 PolarHBondContact O-N 2.97Å; Q156-L159 PolarHBondContact O-N 2.78Å; Q156-L159 VanDerWaalsContact O-N 3.12Å; L159-A161 PolarHBondContact O-N 3.04Å; L159-G162 PolarHBondContact O-N 3.29Å; L159-N165 HydrophobicContact CD2-CB 4.45Å; L159-N165 WeakPolarHBondContact CD2-OD1 3.32Å
160D92Very high92.6Very high120 Ų12081.7 Ų81.764%0.64244%0.44SS*.Hα-helixtrans-64.8-29.8177.7-66-22.2000112Q156 G162Q156-D160 VanDerWaalsContact O-CG 3.25Å; Q156-D160 PolarHBondContact O-N 3.33Å; D160-G162 PolarHBondContact O-N 3.25Å
161A91.3Very high92.6Very high69 Ų6980.1 Ų80.157%0.5744%0.436SS*.THydrogen-bonded Turntrans-72.6-2.5171.900000113.9A157 F158 L159 Y163A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 2.9Å; F158-A161 PolarHBondContact O-N 3.41Å; L159-A161 PolarHBondContact O-N 3.04Å; A161-Y163 HydrophobicContact CB-CD2 3.83Å; A161-Y163 HydrophobicContact CB-CE2 3.88Å
162G91.3Very high92.6Very high68 Ų6879 Ų7970%0.70143%0.43SS*.THydrogen-bonded Turntrans88.99.9175.300000114.9L159 D160L159-G162 PolarHBondContact O-N 3.29Å; D160-G162 PolarHBondContact O-N 3.25Å
163Y91.1Very high92.8Very high131 Ų13175.9 Ų75.951%0.51442%0.416SS..  trans-77.3151174.6-64.4-80.6000111.9F158 A161F158-Y163 AromaticContact CD1-CD2 3.84Å; F158-Y163 HydrophobicContact CD1-CD2 3.84Å; F158-Y163 AromaticContact CD1-CG 3.77Å; F158-Y163 HydrophobicContact CD1-CG 3.77Å; F158-Y163 AromaticContact CD2-CD2 3.51Å; F158-Y163 HydrophobicContact CD2-CD2 3.51Å; F158-Y163 AromaticContact CD2-CE2 3.89Å; F158-Y163 HydrophobicContact CD2-CE2 3.89Å; F158-Y163 HydrophobicContact CD2-CG 4.12Å; F158-Y163 AromaticContact CE1-CD1 3.98Å; F158-Y163 HydrophobicContact CE1-CD1 3.98Å; F158-Y163 AromaticContact CE1-CD2 3.79Å; F158-Y163 HydrophobicContact CE1-CD2 3.79Å; F158-Y163 AromaticContact CE1-CG 3.36Å; F158-Y163 HydrophobicContact CE1-CG 3.36Å; F158-Y163 HydrophobicContact CE2-CD1 4.13Å; F158-Y163 AromaticContact CE2-CD2 3.38Å; F158-Y163 HydrophobicContact CE2-CD2 3.38Å; F158-Y163 HydrophobicContact CE2-CE1 4.3Å; F158-Y163 AromaticContact CE2-CE2 3.58Å; F158-Y163 HydrophobicContact CE2-CE2 3.58Å; F158-Y163 AromaticContact CE2-CG 3.69Å; F158-Y163 HydrophobicContact CE2-CG 3.69Å; F158-Y163 AromaticContact CG-CD2 3.75Å; F158-Y163 HydrophobicContact CG-CD2 3.75Å; F158-Y163 HydrophobicContact CG-CG 4.17Å; F158-Y163 AromaticContact CZ-CD1 3.59Å; F158-Y163 HydrophobicContact CZ-CD1 3.59Å; F158-Y163 AromaticContact CZ-CD2 3.54Å; F158-Y163 HydrophobicContact CZ-CD2 3.54Å; F158-Y163 HydrophobicContact CZ-CE1 4.1Å; F158-Y163 HydrophobicContact CZ-CE2 4.06Å; F158-Y163 AromaticContact CZ-CG 3.29Å; F158-Y163 HydrophobicContact CZ-CG 3.29Å; F158-Y163 WeakPolarHBondContact O-CB 3.49Å; F158-Y163 WeakPolarHBondContact O-CD2 3.49Å; F158-Y163 PolarHBondContact O-N 2.57Å; A161-Y163 HydrophobicContact CB-CD2 3.83Å; A161-Y163 HydrophobicContact CB-CE2 3.88Å
164S92.6Very high92.9Very high79 Ų7975.8 Ų75.855%0.55242%0.415SS*.  trans-67.5145.5175.8-179.60000112.1W166 M167S164-W166 PolarHBondContact O-N 3.1Å; S164-W166 VanDerWaalsContact O-N 3.14Å; S164-M167 WeakPolarHBondContact O-CB 3.35Å; S164-M167 PolarHBondContact O-N 3.01Å
165N92.2Very high93Very high90 Ų9076.3 Ų76.348%0.48142%0.421SS..Hα-helixtrans-48.8-41.4177-66.5-57.1000113.2L159 M167 S168 F169L159-N165 HydrophobicContact CD2-CB 4.45Å; L159-N165 WeakPolarHBondContact CD2-OD1 3.32Å; N165-M167 VanDerWaalsContact C-N 3.27Å; N165-M167 PolarHBondContact O-N 2.84Å; N165-S168 PolarHBondContact O-N 2.84Å; N165-S168 PolarHBondContact O-OG 2.82Å; N165-F169 HydrophobicContact CB-CE2 4.08Å; N165-F169 WeakPolarHBondContact O-CD2 3.21Å; N165-F169 PolarHBondContact O-N 2.68Å
166W94.2Very high93Very high172 Ų17278 Ų7865%0.65243%0.434SS*.Hα-helixtrans-63.6-35-177.4-171.270.9000112.5S164 F169 L170S164-W166 PolarHBondContact O-N 3.1Å; S164-W166 VanDerWaalsContact O-N 3.14Å; W166-F169 PolarHBondContact O-N 3.26Å; W166-L170 HydrophobicContact CD2-CD1 3.91Å; W166-L170 HydrophobicContact CD2-CG 4.09Å; W166-L170 HydrophobicContact CE3-CD1 3.62Å; W166-L170 HydrophobicContact CE3-CG 4.27Å; W166-L170 HydrophobicContact CH2-CD1 3.39Å; W166-L170 HydrophobicContact CH2-CG 4.33Å; W166-L170 HydrophobicContact CZ2-CD1 3.64Å; W166-L170 HydrophobicContact CZ2-CD2 4.06Å; W166-L170 HydrophobicContact CZ2-CG 4.09Å; W166-L170 HydrophobicContact CZ3-CD1 3.35Å; W166-L170 HydrophobicContact CZ3-CG 4.39Å; W166-L170 WeakPolarHBondContact O-CG 3.41Å; W166-L170 PolarHBondContact O-N 2.96Å
167M91.7Very high93.1Very high87 Ų8778.5 Ų78.543%0.42944%0.439SS..Hα-helixtrans-69.3-39.4-178.8-65.4-62.1-76.900111.8F158 S164 N165 L170 I171F158-M167 HydrophobicContact CE1-CB 3.69Å; F158-M167 HydrophobicContact CZ-CB 4.18Å; S164-M167 WeakPolarHBondContact O-CB 3.35Å; S164-M167 PolarHBondContact O-N 3.01Å; N165-M167 VanDerWaalsContact C-N 3.27Å; N165-M167 PolarHBondContact O-N 2.84Å; M167-L170 PolarHBondContact O-N 2.96Å; M167-I171 WeakPolarHBondContact O-CG1 3.4Å; M167-I171 PolarHBondContact O-N 2.77Å; M167-I171 VanDerWaalsContact O-N 3.09Å
168S92.9Very high93.3Very high2 Ų282.3 Ų82.31%0.01445%0.445CS..Hα-helixtrans-65-42.9175.251.90000111.5H155 F158 N165 L170 I171 I172H155-S168 PolarHBondContact CE1-OG 3.14Å; H155-S168 WeakPolarHBondContact ND1-CB 3.47Å; H155-S168 PolarHBondContact ND1-OG 3.37Å; F158-S168 VanDerWaalsContact CD1-CB 3.46Å; N165-S168 PolarHBondContact O-N 2.84Å; N165-S168 PolarHBondContact O-OG 2.82Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.01Å; S168-I171 PolarHBondContact O-N 2.82Å; S168-I172 WeakPolarHBondContact O-CB 3.5Å; S168-I172 WeakPolarHBondContact O-CG1 3.5Å; S168-I172 PolarHBondContact O-N 3.19Å
169F93.5Very high93.4Very high126 Ų12683.7 Ų83.755%0.55346%0.459SS*.Hα-helixtrans-61.9-39.8177.2-66.6-51.8000112.4H155 N165 W166 G173H155-F169 AromaticContact CE1-CE1 3.55Å; H155-F169 AromaticContact CE1-CZ 3.56Å; N165-F169 HydrophobicContact CB-CE2 4.08Å; N165-F169 WeakPolarHBondContact O-CD2 3.21Å; N165-F169 PolarHBondContact O-N 2.68Å; W166-F169 PolarHBondContact O-N 3.26Å; F169-G173 WeakPolarHBondContact O-CA 3.43Å; F169-G173 PolarHBondContact O-N 3.19Å
170L94.8Very high93.6Very high68 Ų6883.6 Ų83.636%0.35647%0.468SS..Hα-helixtrans-62.6-49.2174.7-76.1-171.9000112.5W166 M167 S168 G173 L174W166-L170 HydrophobicContact CD2-CD1 3.91Å; W166-L170 HydrophobicContact CD2-CG 4.09Å; W166-L170 HydrophobicContact CE3-CD1 3.62Å; W166-L170 HydrophobicContact CE3-CG 4.27Å; W166-L170 HydrophobicContact CH2-CD1 3.39Å; W166-L170 HydrophobicContact CH2-CG 4.33Å; W166-L170 HydrophobicContact CZ2-CD1 3.64Å; W166-L170 HydrophobicContact CZ2-CD2 4.06Å; W166-L170 HydrophobicContact CZ2-CG 4.09Å; W166-L170 HydrophobicContact CZ3-CD1 3.35Å; W166-L170 HydrophobicContact CZ3-CG 4.39Å; W166-L170 WeakPolarHBondContact O-CG 3.41Å; W166-L170 PolarHBondContact O-N 2.96Å; M167-L170 PolarHBondContact O-N 2.96Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.01Å; L170-G173 PolarHBondContact O-N 2.98Å; L170-L174 WeakPolarHBondContact O-CB 3.36Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.35Å; L170-L174 PolarHBondContact O-N 2.79Å
171I93.3Very high93.8Very high95 Ų9582.8 Ų82.849%0.48746%0.464SS..Hα-helixtrans-65.5-48.2-176.2-66.5166000110.8F158 M167 S168 S175F158-I171 HydrophobicContact CE1-CD1 4.32Å; F158-I171 HydrophobicContact CE2-CD1 3.85Å; F158-I171 HydrophobicContact CZ-CD1 3.54Å; M167-I171 WeakPolarHBondContact O-CG1 3.4Å; M167-I171 PolarHBondContact O-N 2.77Å; M167-I171 VanDerWaalsContact O-N 3.09Å; S168-I171 PolarHBondContact O-N 2.82Å; I171-S175 WeakPolarHBondContact O-CB 3.5Å; I171-S175 PolarHBondContact O-N 2.81Å
172I93.5Very high94.1Very high34 Ų3486.1 Ų86.117%0.17447%0.466CS..Hα-helixtrans-65.7-42.5179-66.7170.8000110.5I151 H155 S168 S175 T176I151-I172 HydrophobicContact CG2-CD1 4.31Å; I151-I172 HydrophobicContact CG2-CG2 3.54Å; H155-I172 HydrophobicContact CB-CD1 3.69Å; S168-I172 WeakPolarHBondContact O-CB 3.5Å; S168-I172 WeakPolarHBondContact O-CG1 3.5Å; S168-I172 PolarHBondContact O-N 3.19Å; I172-S175 PolarHBondContact O-N 3.09Å; I172-T176 HydrophobicContact CG2-CG2 4.49Å; I172-T176 WeakPolarHBondContact O-CG2 3.32Å; I172-T176 PolarHBondContact O-N 3.45Å; I172-T176 PolarHBondContact O-OG1 3.22Å; I172-T176 VanDerWaalsContact O-OG1 3.07Å
173G94.2Very high94.3Very high26 Ų2687.7 Ų87.727%0.26846%0.457SS..Hα-helixtrans-61.9-47.517800000112.3F169 L170 S175 T176 I177F169-G173 WeakPolarHBondContact O-CA 3.43Å; F169-G173 PolarHBondContact O-N 3.19Å; L170-G173 PolarHBondContact O-N 2.98Å; G173-S175 PolarHBondContact O-N 2.76Å; G173-T176 PolarHBondContact O-N 3.35Å; G173-T176 PolarHBondContact O-OG1 3.18Å; G173-I177 VanDerWaalsContact O-CG1 3.3Å; G173-I177 WeakPolarHBondContact O-CG1 3.37Å; G173-I177 PolarHBondContact O-N 2.66Å
174L95.8Very high94.5Very high96 Ų9683 Ų8350%0.50345%0.448SS..Hα-helixtrans-62.4-44.3175.9-71.4173.8000111.4L170 T176 I177 F178L170-L174 WeakPolarHBondContact O-CB 3.36Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.35Å; L170-L174 PolarHBondContact O-N 2.79Å; L174-T176 PolarHBondContact O-N 3.19Å; L174-I177 PolarHBondContact O-N 2.91Å; L174-F178 HydrophobicContact CB-CE2 4.44Å; L174-F178 WeakPolarHBondContact O-CD2 3.36Å; L174-F178 PolarHBondContact O-N 2.84Å
175S93.7Very high94.7Very high65 Ų6583.7 Ų83.746%0.45545%0.445SS..Hα-helixtrans-57.8-46.3177.8-1760000112.3I171 I172 G173 I177 F178 C179I171-S175 WeakPolarHBondContact O-CB 3.5Å; I171-S175 PolarHBondContact O-N 2.81Å; I172-S175 PolarHBondContact O-N 3.09Å; G173-S175 PolarHBondContact O-N 2.76Å; S175-I177 PolarHBondContact O-N 3.16Å; S175-F178 PolarHBondContact O-N 3.02Å; S175-C179 PolarHBondContact O-N 2.96Å; S175-C179 PolarHBondContact O-SG 2.81Å; S175-C179 VanDerWaalsContact O-SG 3.38Å
176T93Very high94.9Very high71 Ų7182.9 Ų82.944%0.43644%0.44SS..Hα-helixtrans-66.2-37.8178.752.10000112.7I151 I172 G173 L174 C179 G180I151-T176 HydrophobicContact CD1-CG2 4.44Å; I172-T176 HydrophobicContact CG2-CG2 4.49Å; I172-T176 WeakPolarHBondContact O-CG2 3.32Å; I172-T176 PolarHBondContact O-N 3.45Å; I172-T176 PolarHBondContact O-OG1 3.22Å; I172-T176 VanDerWaalsContact O-OG1 3.07Å; G173-T176 PolarHBondContact O-N 3.35Å; G173-T176 PolarHBondContact O-OG1 3.18Å; L174-T176 PolarHBondContact O-N 3.19Å; T176-C179 PolarHBondContact O-N 3.17Å; T176-G180 PolarHBondContact O-N 2.87Å
177I96.2Very high95Very high110 Ų11078.9 Ų78.956%0.56443%0.43SS*.Hα-helixtrans-61-48.1173.1-69.6165.5000110.7G173 L174 S175 G180 L181G173-I177 VanDerWaalsContact O-CG1 3.3Å; G173-I177 WeakPolarHBondContact O-CG1 3.37Å; G173-I177 PolarHBondContact O-N 2.66Å; L174-I177 PolarHBondContact O-N 2.91Å; S175-I177 PolarHBondContact O-N 3.16Å; I177-G180 PolarHBondContact O-N 2.81Å; I177-L181 WeakPolarHBondContact O-CB 3.4Å; I177-L181 PolarHBondContact O-N 2.99Å
178F96.7Very high95.1Very high135 Ų13578.6 Ų78.659%0.59243%0.434SS*.Hα-helixtrans-63.2-44.1179.1-79.2-66.5000112.2L174 S175 L181 F182L174-F178 HydrophobicContact CB-CE2 4.44Å; L174-F178 WeakPolarHBondContact O-CD2 3.36Å; L174-F178 PolarHBondContact O-N 2.84Å; S175-F178 PolarHBondContact O-N 3.02Å; F178-L181 PolarHBondContact O-N 3.06Å; F178-F182 WeakPolarHBondContact O-CB 3.48Å; F178-F182 PolarHBondContact O-N 2.79Å
179C95.1Very high95.2Very high70 Ų7082.3 Ų82.347%0.47346%0.456SS..Hα-helixtrans-61.6-44175.2-70.70000112.1S175 T176 F182 I183S175-C179 PolarHBondContact O-N 2.96Å; S175-C179 PolarHBondContact O-SG 2.81Å; S175-C179 VanDerWaalsContact O-SG 3.38Å; T176-C179 PolarHBondContact O-N 3.17Å; C179-F182 PolarHBondContact O-N 2.83Å; C179-I183 VanDerWaalsContact O-CG1 3.27Å; C179-I183 WeakPolarHBondContact O-CG1 3.46Å; C179-I183 PolarHBondContact O-N 3.39Å
180G95.7Very high95.3Very high41 Ų4180.7 Ų80.742%0.42345%0.452SS..Hα-helixtrans-63.4-44.2177.900000112.7T176 I177 F182 I183 G184T176-G180 PolarHBondContact O-N 2.87Å; I177-G180 PolarHBondContact O-N 2.81Å; G180-F182 VanDerWaalsContact C-N 3.34Å; G180-F182 PolarHBondContact O-N 3.39Å; G180-I183 PolarHBondContact O-N 3.04Å; G180-G184 PolarHBondContact O-N 2.85Å
181L97.4Very high95.2Very high104 Ų10483 Ų8355%0.54546%0.46SS..Hα-helixtrans-59.9-45.3175.2178.763.1000111.2I177 F178 G184 I185I177-L181 WeakPolarHBondContact O-CB 3.4Å; I177-L181 PolarHBondContact O-N 2.99Å; F178-L181 PolarHBondContact O-N 3.06Å; L181-G184 PolarHBondContact O-N 3.2Å; L181-I185 HydrophobicContact CD1-CD1 4Å; L181-I185 HydrophobicContact CD1-CG1 4.31Å; L181-I185 HydrophobicContact CG-CD1 3.96Å; L181-I185 VanDerWaalsContact O-CG1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.24Å; L181-I185 PolarHBondContact O-N 3.41Å
182F96.6Very high95.1Very high139 Ų13982.9 Ų82.961%0.6146%0.46SS*.Hα-helixtrans-63.9-46179.7-172.4-106.4000112.2F178 C179 G180 G184 I185 I186F178-F182 WeakPolarHBondContact O-CB 3.48Å; F178-F182 PolarHBondContact O-N 2.79Å; C179-F182 PolarHBondContact O-N 2.83Å; G180-F182 VanDerWaalsContact C-N 3.34Å; G180-F182 PolarHBondContact O-N 3.39Å; F182-G184 VanDerWaalsContact C-N 3.33Å; F182-G184 PolarHBondContact O-N 3.2Å; F182-I185 PolarHBondContact O-N 2.95Å; F182-I186 HydrophobicContact CD1-CD1 3.61Å; F182-I186 HydrophobicContact CE1-CD1 3.28Å; F182-I186 HydrophobicContact CE1-CG1 4.43Å; F182-I186 HydrophobicContact CE2-CD1 4.43Å; F182-I186 HydrophobicContact CG-CD1 4.34Å; F182-I186 HydrophobicContact CZ-CD1 3.74Å; F182-I186 WeakPolarHBondContact O-CG1 3.45Å; F182-I186 PolarHBondContact O-N 3.19Å
183I95.7Very high95Very high100 Ų10086.2 Ų86.251%0.51349%0.485SS..Hα-helixtrans-63-41.1175.9-66.2164.7000110.7C179 G180 I186 L187C179-I183 VanDerWaalsContact O-CG1 3.27Å; C179-I183 WeakPolarHBondContact O-CG1 3.46Å; C179-I183 PolarHBondContact O-N 3.39Å; G180-I183 PolarHBondContact O-N 3.04Å; I183-I186 PolarHBondContact O-N 3.29Å; I183-L187 HydrophobicContact CG2-CD1 4.21Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CG 3.31Å; I183-L187 PolarHBondContact O-N 3.12Å
184G96.6Very high94.8Very high32 Ų3292.5 Ų92.533%0.3351%0.505SS..Hα-helixtrans-61.6-46.317700000112.9G180 L181 F182 I186 L187 V188G180-G184 PolarHBondContact O-N 2.85Å; L181-G184 PolarHBondContact O-N 3.2Å; F182-G184 VanDerWaalsContact C-N 3.33Å; F182-G184 PolarHBondContact O-N 3.2Å; G184-I186 VanDerWaalsContact C-N 3.34Å; G184-I186 PolarHBondContact O-N 3.15Å; G184-L187 PolarHBondContact O-N 3.39Å; G184-V188 WeakPolarHBondContact O-CG2 3.27Å; G184-V188 PolarHBondContact O-N 2.77Å
185I96.6Very high94.4Very high94 Ų9494.7 Ų94.748%0.48251%0.511SS..Hα-helixtrans-60.9-43.8175.6-69.2168.1000110.6L181 F182 L187 V188 V189L181-I185 HydrophobicContact CD1-CD1 4Å; L181-I185 HydrophobicContact CD1-CG1 4.31Å; L181-I185 HydrophobicContact CG-CD1 3.96Å; L181-I185 VanDerWaalsContact O-CG1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.24Å; L181-I185 PolarHBondContact O-N 3.41Å; F182-I185 PolarHBondContact O-N 2.95Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 3.43Å; I185-V188 PolarHBondContact O-N 2.79Å; I185-V189 WeakPolarHBondContact O-CG2 3.43Å; I185-V189 PolarHBondContact O-N 3.37Å
186I96.2Very high93.6Very high73 Ų7396.1 Ų96.137%0.37452%0.519SS..Hα-helixtrans-60.4-44.5176.6-71.8168.5000111.2F182 I183 G184 V189 I190F182-I186 HydrophobicContact CD1-CD1 3.61Å; F182-I186 HydrophobicContact CE1-CD1 3.28Å; F182-I186 HydrophobicContact CE1-CG1 4.43Å; F182-I186 HydrophobicContact CE2-CD1 4.43Å; F182-I186 HydrophobicContact CG-CD1 4.34Å; F182-I186 HydrophobicContact CZ-CD1 3.74Å; F182-I186 WeakPolarHBondContact O-CG1 3.45Å; F182-I186 PolarHBondContact O-N 3.19Å; I183-I186 PolarHBondContact O-N 3.29Å; G184-I186 VanDerWaalsContact C-N 3.34Å; G184-I186 PolarHBondContact O-N 3.15Å; I186-V189 PolarHBondContact O-N 2.99Å; I186-I190 HydrophobicContact CG2-CD1 3.8Å; I186-I190 HydrophobicContact CG2-CG1 4.45Å; I186-I190 VanDerWaalsContact O-CG1 3.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.4Å; I186-I190 PolarHBondContact O-N 3.31Å
187L94.8Very high92.4Very high88 Ų8897.7 Ų97.746%0.46153%0.53SS..Hα-helixtrans-61.9-44.5177.5-74.3174000111.7I183 G184 I185 V189 I190 F191I183-L187 HydrophobicContact CG2-CD1 4.21Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CG 3.31Å; I183-L187 PolarHBondContact O-N 3.12Å; G184-L187 PolarHBondContact O-N 3.39Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 3.43Å; L187-V189 VanDerWaalsContact C-N 3.34Å; L187-V189 PolarHBondContact O-N 3.22Å; L187-I190 PolarHBondContact O-N 3.47Å; L187-F191 WeakPolarHBondContact O-CD2 3.17Å; L187-F191 PolarHBondContact O-N 2.92Å
188V95.8Very high90.9Very high82 Ų82102 Ų10250%0.49754%0.539SS..Hα-helixtrans-58.5-46.6175.6171.30000110.8G184 I185 I190 F191 D192G184-V188 WeakPolarHBondContact O-CG2 3.27Å; G184-V188 PolarHBondContact O-N 2.77Å; I185-V188 PolarHBondContact O-N 2.79Å; V188-I190 VanDerWaalsContact C-N 3.32Å; V188-I190 PolarHBondContact O-N 2.71Å; V188-F191 PolarHBondContact O-N 3.1Å; V188-F191 VanDerWaalsContact O-N 3.17Å; V188-D192 WeakPolarHBondContact O-CB 2.86Å; V188-D192 PolarHBondContact O-N 3.47Å
189V94.3Very high89.2Confident80 Ų80100.3 Ų100.349%0.48554%0.542SS..Hα-helixtrans-59.7-42.4176.8171.50000111.4I185 I186 L187 D192 C193I185-V189 WeakPolarHBondContact O-CG2 3.43Å; I185-V189 PolarHBondContact O-N 3.37Å; I186-V189 PolarHBondContact O-N 2.99Å; L187-V189 VanDerWaalsContact C-N 3.34Å; L187-V189 PolarHBondContact O-N 3.22Å; V189-D192 PolarHBondContact O-N 2.79Å; V189-C193 WeakPolarHBondContact O-CB 3.23Å; V189-C193 PolarHBondContact O-N 3.31Å; V189-C193 PolarHBondContact O-SG 3.49Å
190I94.7Very high87.4Confident91 Ų91104.2 Ų104.247%0.46755%0.553SS.*Hα-helixtrans-63.1-45.2176.2-68.9167.2000110.8I186 L187 V188 C193 F194I186-I190 HydrophobicContact CG2-CD1 3.8Å; I186-I190 HydrophobicContact CG2-CG1 4.45Å; I186-I190 VanDerWaalsContact O-CG1 3.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.4Å; I186-I190 PolarHBondContact O-N 3.31Å; L187-I190 PolarHBondContact O-N 3.47Å; V188-I190 VanDerWaalsContact C-N 3.32Å; V188-I190 PolarHBondContact O-N 2.71Å; I190-C193 PolarHBondContact O-N 3.43Å; I190-F194 WeakPolarHBondContact O-CB 3.35Å; I190-F194 PolarHBondContact O-N 3.45Å
191F93.7Very high85.8Confident117 Ų117108.2 Ų108.251%0.51356%0.563SS.*Hα-helixtrans-65.2-39.9178.5-81.7-67000112.4L187 V188 C193 F194 F195L187-F191 WeakPolarHBondContact O-CD2 3.17Å; L187-F191 PolarHBondContact O-N 2.92Å; V188-F191 PolarHBondContact O-N 3.1Å; V188-F191 VanDerWaalsContact O-N 3.17Å; F191-C193 VanDerWaalsContact C-N 3.34Å; F191-F194 PolarHBondContact O-N 3.39Å; F191-F195 AromaticContact CD1-CD2 3.94Å; F191-F195 HydrophobicContact CD1-CD2 3.94Å; F191-F195 HydrophobicContact CD1-CE2 4.24Å; F191-F195 HydrophobicContact CE1-CE2 4.43Å; F191-F195 CarbonylContact O-C 3.53Å; F191-F195 WeakPolarHBondContact O-CA 3.47Å; F191-F195 PolarHBondContact O-N 2.62Å
192D91.5Very high84Confident92 Ų92109.7 Ų109.749%0.49257%0.571SS.*Hα-helixtrans-67-36.4175.6-73.6-18000111.5V188 V189V188-D192 WeakPolarHBondContact O-CB 2.86Å; V188-D192 PolarHBondContact O-N 3.47Å; V189-D192 PolarHBondContact O-N 2.79Å
193C90.3Very high82.1Confident104 Ų104113.2 Ų113.270%0.70358%0.581SS**Hα-helixtrans-67.8-35.1173.2-73.60000112.9V189 I190 F191V189-C193 WeakPolarHBondContact O-CB 3.23Å; V189-C193 PolarHBondContact O-N 3.31Å; V189-C193 PolarHBondContact O-SG 3.49Å; I190-C193 PolarHBondContact O-N 3.43Å; F191-C193 VanDerWaalsContact C-N 3.34Å
194F90.5Very high80.5Confident158 Ų158117.5 Ų117.569%0.69360%0.596SS**Hα-helixtrans-95.2-32.1-172.6-138.8-98.4000113.7I190 F191I190-F194 WeakPolarHBondContact O-CB 3.35Å; I190-F194 PolarHBondContact O-N 3.45Å; F191-F194 PolarHBondContact O-N 3.39Å
195F87.5Confident78.7Confident143 Ų143122 Ų12263%0.62761%0.611SS**SBendtrans-127.172.4179.6-61.9-83000109.4F191F191-F195 AromaticContact CD1-CD2 3.94Å; F191-F195 HydrophobicContact CD1-CD2 3.94Å; F191-F195 HydrophobicContact CD1-CE2 4.24Å; F191-F195 HydrophobicContact CE1-CE2 4.43Å; F191-F195 CarbonylContact O-C 3.53Å; F191-F195 WeakPolarHBondContact O-CA 3.47Å; F191-F195 PolarHBondContact O-N 2.62Å
196P75.9Confident76.8Confident95 Ų95128 Ų12862%0.61763%0.628SS**PPolyproline II helixtrans-55137.4-178.822.9-33.6000110.2R198P196-R198 PolarHBondContact O-N 3.22Å
197P67.8Low74.5Confident104 Ų104133.1 Ų133.168%0.67565%0.647SS**PPolyproline II helixtrans-57.7128.4-175.318.5-29.7000110.9
198R66.3Low72.5Confident200 Ų200132.9 Ų132.976%0.75565%0.651SS**PPolyproline II helixtrans-59.6129.6176.4-66-176.7-180-169.70.7109.1P196 Q200P196-R198 PolarHBondContact O-N 3.22Å; R198-Q200 PolarHBondContact O-N 3.43Å
199P59.5Low70.3Confident99 Ų99137.1 Ų137.164%0.64366%0.663SS**THydrogen-bonded Turntrans-67.43.8-169.224-33.9000116I201P199-I201 VanDerWaalsContact C-N 3.35Å; P199-I201 PolarHBondContact O-N 3.39Å
200Q58.9Low68.1Low152 Ų152141.7 Ų141.771%0.7168%0.676SS**THydrogen-bonded Turntrans-69.8-29.2-177.7-67178.7-57.300113R198R198-Q200 PolarHBondContact O-N 3.43Å
201I61.3Low66.5Low125 Ų125142 Ų14264%0.64168%0.682SS**THydrogen-bonded Turntrans-72.3-31.1-178.4-68.7167.8000112.5P199 R203 F204 I205P199-I201 VanDerWaalsContact C-N 3.35Å; P199-I201 PolarHBondContact O-N 3.39Å; I201-R203 PolarHBondContact O-N 2.88Å; I201-R203 VanDerWaalsContact O-N 3.15Å; I201-F204 PolarHBondContact O-N 3.48Å; I201-I205 HydrophobicContact CG2-CD1 4.3Å
202L59.6Low64.7Low135 Ų135143.4 Ų143.471%0.70769%0.69SS**Hα-helixtrans-61.3-25.1179.7-96.8141.5000113.6
203R56Low63.2Low214 Ų214145.9 Ų145.981%0.80870%0.699SS**Hα-helixtrans-74.7-30-179.8-68.9-171-166.3171.24.9113.4I201I201-R203 PolarHBondContact O-N 2.88Å; I201-R203 VanDerWaalsContact O-N 3.15Å
204F61.7Low61.5Low189 Ų189144.1 Ų144.183%0.82969%0.687SS**Hα-helixtrans-75.4-37.8-179-114.5-88.7000111.9I201 R206I201-F204 PolarHBondContact O-N 3.48Å; F204-R206 VanDerWaalsContact C-N 3.29Å; F204-R206 PolarHBondContact O-N 2.95Å
205I59.9Low60.1Low126 Ų126140.9 Ų140.965%0.64668%0.677SS**Hα-helixtrans-69.8-23.8-178.3-59.4173.7000112.3I201 K207 P208I201-I205 HydrophobicContact CG2-CD1 4.3Å; I205-K207 VanDerWaalsContact C-N 3.27Å; I205-K207 PolarHBondContact O-N 3.42Å; I205-P208 WeakPolarHBondContact O-CD 3.21Å
206R56.3Low58.6Low222 Ų222140.6 Ų140.684%0.83868%0.677SS**THydrogen-bonded Turntrans-75-10.4-177-163.1168.7-179.7159.80.8114.1F204F204-R206 VanDerWaalsContact C-N 3.29Å; F204-R206 PolarHBondContact O-N 2.95Å
207K48.7Very low57.9Low179 Ų179143.9 Ų143.978%0.77868%0.679SS**THydrogen-bonded Turntrans-86.7-12.8-171.4-115.2-172.5178.9-170.60119I205I205-K207 VanDerWaalsContact C-N 3.27Å; I205-K207 PolarHBondContact O-N 3.42Å
208P52.7Low57.6Low83 Ų83144.1 Ų144.154%0.53967%0.671SS.*THydrogen-bonded Turntrans-87.8-2.2179.734-29.5000114I205I205-P208 WeakPolarHBondContact O-CD 3.21Å
209K48.6Very low57.3Low172 Ų172138.6 Ų138.675%0.74866%0.659SS**Hα-helixtrans-78.3-24.1179.6-149.7178-175.6-176.50113.9
210K49.4Very low57Low176 Ų176140.8 Ų140.877%0.76566%0.661SS**Hα-helixtrans-85-23.2-174.3-120.4-173.9-179.1-169.60114.3
211V59.6Low57Low98 Ų98139.8 Ų139.859%0.59465%0.654SS**Hα-helixtrans-82.5-40.6-178.7-178.40000110.4E213 S214 L215V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 3.47Å; V211-S214 PolarHBondContact O-N 3.21Å; V211-S214 PolarHBondContact O-OG 3.03Å; V211-L215 PolarHBondContact O-N 3.24Å
212E56.4Low56.5Low146 Ų146137.6 Ų137.668%0.68265%0.65SS**Hα-helixtrans-63.6-39.3179.9-154.3124.9-155.100112.2S214 L215 Q216E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 3.37Å; E212-L215 PolarHBondContact O-N 3.42Å; E212-Q216 PolarHBondContact O-N 3.23Å
213E60.3Low56Low144 Ų144136.1 Ų136.167%0.67365%0.647SS**Hα-helixtrans-67.8-29.9179.3-156.5168.4-148.700112.4V211V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 3.47Å
214S54.7Low55.3Low66 Ų66129.8 Ų129.846%0.46264%0.635SS.*Hα-helixtrans-74.5-30.3174.961.60000113.7V211 E212V211-S214 PolarHBondContact O-N 3.21Å; V211-S214 PolarHBondContact O-OG 3.03Å; E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 3.37Å
215L61.2Low54.2Low91 Ų91126.9 Ų126.948%0.47663%0.628SS.*Hα-helixtrans-73.1-30.5-177.3-135.193.2000112.5V211 E212 T219V211-L215 PolarHBondContact O-N 3.24Å; E212-L215 PolarHBondContact O-N 3.42Å; L215-T219 PolarHBondContact O-N 3.19Å; L215-T219 PolarHBondContact O-OG1 3.47Å
216Q56.6Low53.2Low136 Ų136126.1 Ų126.164%0.63663%0.629SS**Hα-helixtrans-74.5-34.6-176.9-139.4163.1-9.900111.9E212 T219 E220E212-Q216 PolarHBondContact O-N 3.23Å; Q216-T219 PolarHBondContact O-N 3.48Å; Q216-E220 PolarHBondContact O-N 3.42Å
217Y59.7Low52.2Low165 Ų165123.7 Ų123.765%0.64763%0.627SS**Hα-helixtrans-68.3-36.4177.7-172-101000113.2K221Y217-K221 PolarHBondContact O-N 3.21Å
218E62.2Low51.3Low108 Ų108122 Ų12251%0.50563%0.627SS.*Hα-helixtrans-69-37.4176.9-70.7-170.6148.300111.8S222 K247E218-S222 PolarHBondContact O-N 3.27Å; E218-S222 PolarHBondContact O-OG 3.41Å; E218-K247 IonicContact OE2-NZ 3.45Å; E218-K247 PolarHBondContact OE2-NZ 3.48Å
219T60.2Low50.5Low84 Ų84125.2 Ų125.252%0.51564%0.639SS.*Hα-helixtrans-70.1-42.9-177.2-51.50000111.6L215 Q216 K221 S222 T223L215-T219 PolarHBondContact O-N 3.19Å; L215-T219 PolarHBondContact O-OG1 3.47Å; Q216-T219 PolarHBondContact O-N 3.48Å; T219-K221 PolarHBondContact O-N 2.97Å; T219-S222 PolarHBondContact O-N 3.24Å; T219-T223 PolarHBondContact O-N 3.02Å; T219-T223 PolarHBondContact O-OG1 3.33Å
220E53Low50Low145 Ų145125.5 Ų125.568%0.67865%0.649SS**Hα-helixtrans-64.3-39176.8-92.2-179.6161.500112.6Q216 S222 T223 S224Q216-E220 PolarHBondContact O-N 3.42Å; E220-S222 VanDerWaalsContact C-N 3.32Å; E220-S222 PolarHBondContact O-N 3.15Å; E220-T223 PolarHBondContact O-N 2.9Å; E220-S224 PolarHBondContact O-N 3.4Å
221K57.9Low49.6Very low131 Ų131121.4 Ų121.457%0.5764%0.638SS**Hα-helixtrans-68-32.8179.6-167.1174-176.3179.30113.1Y217 T219 T223 S224Y217-K221 PolarHBondContact O-N 3.21Å; T219-K221 PolarHBondContact O-N 2.97Å; K221-T223 VanDerWaalsContact C-N 3.3Å; K221-S224 PolarHBondContact O-OG 3.3Å
222S50.9Low48.9Very low79 Ų79120.8 Ų120.855%0.55264%0.639SS**Hα-helixtrans-69.7-32177.7-49.40000111.6E218 T219 E220E218-S222 PolarHBondContact O-N 3.27Å; E218-S222 PolarHBondContact O-OG 3.41Å; T219-S222 PolarHBondContact O-N 3.24Å; E220-S222 VanDerWaalsContact C-N 3.32Å; E220-S222 PolarHBondContact O-N 3.15Å
223T48.8Very low48.6Very low104 Ų104122.2 Ų122.264%0.63865%0.645SS**Hα-helixtrans-84.4-25.1-172.7-43.20000112.2T219 E220 K221 N225T219-T223 PolarHBondContact O-N 3.02Å; T219-T223 PolarHBondContact O-OG1 3.33Å; E220-T223 PolarHBondContact O-N 2.9Å; K221-T223 VanDerWaalsContact C-N 3.3Å; T223-N225 PolarHBondContact O-N 2.99Å
224S42.9Very low48Very low81 Ų81122.8 Ų122.857%0.56665%0.648SS**THydrogen-bonded Turntrans-76.4-15.9-177.269.90000115.2E220 K221E220-S224 PolarHBondContact O-N 3.4Å; K221-S224 PolarHBondContact O-OG 3.3Å
225N38Very low47.6Very low128 Ų128124.2 Ų124.268%0.68465%0.651SS**THydrogen-bonded Turntrans-1016.7-172.8-69.9-8.5000114.4T223 H227T223-N225 PolarHBondContact O-N 2.99Å; N225-H227 PolarHBondContact O-N 3.35Å
226V38.5Very low47.2Very low110 Ų110124.3 Ų124.367%0.66765%0.65SS**  trans-103.956-178.1-167.50000110.8
227H35.1Very low46.9Very low171 Ų171119.6 Ų119.679%0.79264%0.638SS**SBendtrans-126.88.9172.9-135.155.5000116.3N225N225-H227 PolarHBondContact O-N 3.35Å
228D30.5Very low46.6Very low145 Ų145116.5 Ų116.578%0.77563%0.633SS**SBendtrans-141.5129.7172.3-66.7-60.3000110.2
229D35.2Very low46.6Very low150 Ų150117.4 Ų117.480%0.80264%0.637SS**SBendtrans76.4123167.1-54-33.3000119.5V231D229-V231 PolarHBondContact O-N 3Å
230D37.9Very low46.6Very low178 Ų178118 Ų11895%0.95264%0.636SS**  trans-49.499.9176.5-70.1-51000112.5
231V42.2Very low47.1Very low89 Ų89114.7 Ų114.754%0.53963%0.626SS.*  trans-113.5116.4165.9-177.60000108.1D229 N235D229-V231 PolarHBondContact O-N 3Å; V231-N235 HydrophobicContact CG1-CB 3.81Å; V231-N235 WeakPolarHBondContact CG1-ND2 3.15Å
232S44.3Very low47.5Very low86 Ų86113.3 Ų113.360%0.60162%0.622SS**  trans-50.9137.8179.450.60000112.6E234 N235S232-E234 PolarHBondContact O-N 2.99Å; S232-N235 PolarHBondContact O-N 2.76Å; S232-N235 VanDerWaalsContact O-N 3.12Å
233E50Low48Very low176 Ų176113.2 Ų113.282%0.82261%0.614SS**THydrogen-bonded Turntrans-48.4-19.8-173.7-73169.2144.800116N235 I236 G237E233-N235 VanDerWaalsContact C-N 3.35Å; E233-N235 PolarHBondContact O-N 3.49Å; E233-I236 PolarHBondContact O-N 3.03Å; E233-G237 PolarHBondContact O-N 2.69Å
234E48Very low48.9Very low155 Ų155117.1 Ų117.172%0.72462%0.617SS**Hα-helixtrans-63.1-34.6176.7-114.3179.9174.200113.5S232 G237 N238S232-E234 PolarHBondContact O-N 2.99Å; E234-G237 PolarHBondContact O-N 3.21Å; E234-N238 VanDerWaalsContact O-CG 3.27Å; E234-N238 PolarHBondContact O-N 2.79Å; E234-N238 PolarHBondContact O-ND2 3.07Å
235N46.2Very low49.8Very low97 Ų97119.3 Ų119.352%0.51962%0.618SS.*Hα-helixtrans-69.3-37.5-179.8-96.1-22.4000112.5V231 S232 E233 G237 N238 E239V231-N235 HydrophobicContact CG1-CB 3.81Å; V231-N235 WeakPolarHBondContact CG1-ND2 3.15Å; S232-N235 PolarHBondContact O-N 2.76Å; S232-N235 VanDerWaalsContact O-N 3.12Å; E233-N235 VanDerWaalsContact C-N 3.35Å; E233-N235 PolarHBondContact O-N 3.49Å; N235-G237 VanDerWaalsContact C-N 3.34Å; N235-N238 PolarHBondContact O-N 3.4Å; N235-E239 PolarHBondContact O-N 3.42Å; N235-E239 VanDerWaalsContact O-N 3.1Å
236I53.6Low51Low92 Ų92120.1 Ų120.147%0.47261%0.612SS.*Hα-helixtrans-65.5-42.1177.9-61.7169.7000110E233 N238 E239 I240E233-I236 PolarHBondContact O-N 3.03Å; I236-N238 VanDerWaalsContact C-N 3.33Å; I236-N238 PolarHBondContact O-N 3.28Å; I236-E239 PolarHBondContact O-N 2.8Å; I236-I240 HydrophobicContact CG2-CD1 3.72Å; I236-I240 HydrophobicContact CG2-CG1 4.44Å; I236-I240 VanDerWaalsContact O-CG1 3.28Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.11Å
237G48.9Very low52Low37 Ų37119.1 Ų119.138%0.38160%0.598SS.*Hα-helixtrans-58.4-45.6177.300000112.3E233 E234 N235 T241E233-G237 PolarHBondContact O-N 2.69Å; E234-G237 PolarHBondContact O-N 3.21Å; N235-G237 VanDerWaalsContact C-N 3.34Å; G237-T241 PolarHBondContact O-N 3.1Å; G237-T241 VanDerWaalsContact O-N 3.12Å; G237-T241 PolarHBondContact O-OG1 2.97Å
238N53.8Low53.3Low100 Ų100114.9 Ų114.954%0.53558%0.584SS.*Hα-helixtrans-67.9-41-178.5-66.6-19.1000112.6E234 N235 I236 T241 E242E234-N238 VanDerWaalsContact O-CG 3.27Å; E234-N238 PolarHBondContact O-N 2.79Å; E234-N238 PolarHBondContact O-ND2 3.07Å; N235-N238 PolarHBondContact O-N 3.4Å; I236-N238 VanDerWaalsContact C-N 3.33Å; I236-N238 PolarHBondContact O-N 3.28Å; N238-T241 WeakPolarHBondContact CA-OG1 3.39Å; N238-T241 PolarHBondContact O-N 3.32Å; N238-T241 PolarHBondContact O-OG1 3.2Å; N238-E242 PolarHBondContact O-N 3.46Å
239E62.4Low54.6Low128 Ų128112.1 Ų112.160%0.59857%0.57SS**Hα-helixtrans-67.8-40.3178.7-173.9165.9-169.900112.1N235 I236 T241 E242 I243N235-E239 PolarHBondContact O-N 3.42Å; N235-E239 VanDerWaalsContact O-N 3.1Å; I236-E239 PolarHBondContact O-N 2.8Å; E239-T241 VanDerWaalsContact C-N 3.32Å; E239-T241 PolarHBondContact O-N 2.54Å; E239-E242 PolarHBondContact O-N 3.01Å; E239-I243 HydrophobicContact CG-CD1 4.11Å; E239-I243 VanDerWaalsContact O-CG1 3.32Å; E239-I243 WeakPolarHBondContact O-CG1 3.33Å; E239-I243 PolarHBondContact O-N 3.45Å
240I60.6Low55.3Low97 Ų97110 Ų11050%0.49756%0.558SS.*Hα-helixtrans-64.2-38.7175.7-66.8170.5000111I236 R244I236-I240 HydrophobicContact CG2-CD1 3.72Å; I236-I240 HydrophobicContact CG2-CG1 4.44Å; I236-I240 VanDerWaalsContact O-CG1 3.28Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.11Å; I240-R244 WeakPolarHBondContact O-CB 3.38Å; I240-R244 PolarHBondContact O-N 3.29Å; I240-R244 VanDerWaalsContact O-N 3.16Å
241T62.7Low56Low75 Ų75107 Ų10746%0.4654%0.542SS..Hα-helixtrans-67.8-40.5177.914.80000111.6G237 N238 E239 R244 Q245G237-T241 PolarHBondContact O-N 3.1Å; G237-T241 VanDerWaalsContact O-N 3.12Å; G237-T241 PolarHBondContact O-OG1 2.97Å; N238-T241 WeakPolarHBondContact CA-OG1 3.39Å; N238-T241 PolarHBondContact O-N 3.32Å; N238-T241 PolarHBondContact O-OG1 3.2Å; E239-T241 VanDerWaalsContact C-N 3.32Å; E239-T241 PolarHBondContact O-N 2.54Å; T241-R244 PolarHBondContact O-N 3.45Å; T241-Q245 PolarHBondContact O-N 3.32Å
242E67.7Low56.5Low102 Ų102108.9 Ų108.948%0.47755%0.545SS..Hα-helixtrans-65.6-42.6178.9-162-173.1164.800112.5N238 E239 R244 Q245 R246N238-E242 PolarHBondContact O-N 3.46Å; E239-E242 PolarHBondContact O-N 3.01Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 3.07Å; E242-Q245 PolarHBondContact O-N 2.92Å; E242-R246 PolarHBondContact O-N 3Å; E242-R246 IonicContact OE1-CZ 3.19Å; E242-R246 IonicContact OE1-NE 3.58Å; E242-R246 IonicContact OE1-NH2 3.79Å; E242-R246 PolarHBondContact OE1-NH2 2.73Å; E242-R246 IonicContact OE2-NH2 3.43Å
243I60.2Low56.9Low77 Ų77109.8 Ų109.840%0.39555%0.547SS..Hα-helixtrans-61.3-40.4175.7-67.2167.4000110.6E239 K247E239-I243 HydrophobicContact CG-CD1 4.11Å; E239-I243 VanDerWaalsContact O-CG1 3.32Å; E239-I243 WeakPolarHBondContact O-CG1 3.33Å; E239-I243 PolarHBondContact O-N 3.45Å; I243-K247 PolarHBondContact O-N 3.46Å
244R69Low57Low186 Ų186109.4 Ų109.470%0.70255%0.545SS*.Hα-helixtrans-66.6-40179.2-148175.7-167.8134.30.5111.3I240 T241 E242 K247 V248I240-R244 WeakPolarHBondContact O-CB 3.38Å; I240-R244 PolarHBondContact O-N 3.29Å; I240-R244 VanDerWaalsContact O-N 3.16Å; T241-R244 PolarHBondContact O-N 3.45Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 3.07Å; R244-K247 PolarHBondContact O-N 3.18Å; R244-V248 WeakPolarHBondContact O-CG2 3.42Å; R244-V248 PolarHBondContact O-N 2.91Å; R244-V248 VanDerWaalsContact O-N 3.15Å
245Q60.3Low57Low126 Ų126109.4 Ų109.459%0.58955%0.55SS*.Hα-helixtrans-64.9-46.2176.3-108.6164.7-53.400112.3T241 E242 K247 V248 D249T241-Q245 PolarHBondContact O-N 3.32Å; E242-Q245 PolarHBondContact O-N 2.92Å; Q245-K247 PolarHBondContact O-N 2.94Å; Q245-V248 PolarHBondContact O-N 3.22Å; Q245-V248 VanDerWaalsContact O-N 3.1Å; Q245-D249 PolarHBondContact O-N 2.87Å
246R63.4Low56.8Low146 Ų146112.4 Ų112.455%0.55158%0.578SS**Hα-helixtrans-60.5-33176.2-71.4-170.8-153.8149.95.4113.3E242 N250E242-R246 PolarHBondContact O-N 3Å; E242-R246 IonicContact OE1-CZ 3.19Å; E242-R246 IonicContact OE1-NE 3.58Å; E242-R246 IonicContact OE1-NH2 3.79Å; E242-R246 PolarHBondContact OE1-NH2 2.73Å; E242-R246 IonicContact OE2-NH2 3.43Å; R246-N250 WeakPolarHBondContact O-CB 3.23Å; R246-N250 PolarHBondContact O-N 3.07Å; R246-N250 PolarHBondContact O-ND2 3.35Å
247K59.4Low56.9Low88 Ų88113.5 Ų113.538%0.38358%0.584SS.*Hα-helixtrans-73.3-32.5176.7-94.9175.7-178.9161.20112.7E218 I243 R244 Q245 N251E218-K247 IonicContact OE2-NZ 3.45Å; E218-K247 PolarHBondContact OE2-NZ 3.48Å; I243-K247 PolarHBondContact O-N 3.46Å; R244-K247 PolarHBondContact O-N 3.18Å; Q245-K247 PolarHBondContact O-N 2.94Å; K247-N251 PolarHBondContact O-N 3.36Å
248V63.1Low57.4Low82 Ų82117.5 Ų117.550%0.49759%0.594SS.*Hα-helixtrans-68.8-47.4172.8174.80000110.1R244 Q245 N250 N251 E252R244-V248 WeakPolarHBondContact O-CG2 3.42Å; R244-V248 PolarHBondContact O-N 2.91Å; R244-V248 VanDerWaalsContact O-N 3.15Å; Q245-V248 PolarHBondContact O-N 3.22Å; Q245-V248 VanDerWaalsContact O-N 3.1Å; V248-N250 PolarHBondContact O-N 3.42Å; V248-N251 PolarHBondContact O-N 2.83Å; V248-N251 VanDerWaalsContact O-N 3.12Å; V248-E252 PolarHBondContact O-N 3.42Å
249D56.9Low57.6Low88 Ų88118.4 Ų118.447%0.47160%0.598SS.*Hα-helixtrans-61.7-41.4179.8-66.6-17.1000112Q245 N251 E252 V253Q245-D249 PolarHBondContact O-N 2.87Å; D249-N251 VanDerWaalsContact C-N 3.31Å; D249-N251 PolarHBondContact O-N 3.45Å; D249-E252 PolarHBondContact O-N 3.01Å; D249-V253 VanDerWaalsContact O-CG2 3.3Å; D249-V253 WeakPolarHBondContact O-CG2 3.36Å; D249-V253 PolarHBondContact O-N 2.81Å; D249-V253 VanDerWaalsContact O-N 3.08Å
250N51Low57.3Low105 Ų105117.9 Ų117.956%0.56160%0.598SS**Hα-helixtrans-68.4-27.7177.3-80.3-22.2000113.7R246 V248R246-N250 WeakPolarHBondContact O-CB 3.23Å; R246-N250 PolarHBondContact O-N 3.07Å; R246-N250 PolarHBondContact O-ND2 3.35Å; V248-N250 PolarHBondContact O-N 3.42Å
251N52.7Low57.1Low115 Ų115119.2 Ų119.262%0.61560%0.604SS**Hα-helixtrans-76.5-37.3174.9-81.3-13.1000111.3K247 V248 D249 H254 D255K247-N251 PolarHBondContact O-N 3.36Å; V248-N251 PolarHBondContact O-N 2.83Å; V248-N251 VanDerWaalsContact O-N 3.12Å; D249-N251 VanDerWaalsContact C-N 3.31Å; D249-N251 PolarHBondContact O-N 3.45Å; N251-H254 PolarHBondContact O-N 3.37Å; N251-D255 PolarHBondContact O-N 3.22Å
252E53.4Low56.7Low129 Ų129122.1 Ų122.160%0.60361%0.614SS**Hα-helixtrans-68.1-33.2175.1-89.8-178.3157.700113.1V248 D249 H254 D255 S256V248-E252 PolarHBondContact O-N 3.42Å; D249-E252 PolarHBondContact O-N 3.01Å; E252-H254 VanDerWaalsContact C-N 3.27Å; E252-H254 PolarHBondContact O-N 3.49Å; E252-D255 PolarHBondContact O-N 3.49Å; E252-S256 PolarHBondContact O-N 3.29Å; E252-S256 PolarHBondContact O-OG 3.32Å
253V52.4Low55.9Low104 Ų104123.6 Ų123.663%0.6362%0.623SS**Hα-helixtrans-69.9-23.9176174.60000112.5D249D249-V253 VanDerWaalsContact O-CG2 3.3Å; D249-V253 WeakPolarHBondContact O-CG2 3.36Å; D249-V253 PolarHBondContact O-N 2.81Å; D249-V253 VanDerWaalsContact O-N 3.08Å
254H51Low55.6Low169 Ų169127.2 Ų127.278%0.78264%0.641SS**Hα-helixtrans-89.6-14.5178-97.4-53000114.5N251 E252N251-H254 PolarHBondContact O-N 3.37Å; E252-H254 VanDerWaalsContact C-N 3.27Å; E252-H254 PolarHBondContact O-N 3.49Å
255D47.8Very low54.4Low154 Ų154122.3 Ų122.382%0.82464%0.636SS**Hα-helixtrans-99.9-0.4176.4-84.7-19.4000113.7N251 E252N251-D255 PolarHBondContact O-N 3.22Å; E252-D255 PolarHBondContact O-N 3.49Å
256S42.2Very low53.9Low161 Ų161121.9 Ų121.9100%1.12664%0.64SS**  trans-99.20170-56.20000112E252E252-S256 PolarHBondContact O-N 3.29Å; E252-S256 PolarHBondContact O-OG 3.32Å

Retrieved 256 of 256 residues in 591.1 ms (Link to these results)

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